For BMRB entry 19107: ############################################################################ For conformer 1: Atom Original Corrected SPARTA Difference RESID 56 (A): N 123.960 123.960 123.140 0.820 RESID 56 (A): HA 4.219 4.219 4.006 0.213 RESID 56 (A): C 177.886 177.886 177.776 0.110 RESID 56 (A): CA 52.782 52.782 52.188 0.594 RESID 56 (A): CB 19.246 19.246 18.768 0.478 RESID 56 (A): H 8.814 8.814 8.360 0.454 RESID 57 (G): N 108.854 108.854 106.222 2.632 RESID 57 (G): C 173.751 173.751 175.134 -1.383 RESID 57 (G): CA 45.130 45.130 45.707 -0.577 RESID 57 (G): H 8.524 8.524 8.372 0.152 RESID 58 (K): N 120.911 120.911 119.007 1.904 RESID 58 (K): HA 4.301 4.301 4.546 -0.245 RESID 58 (K): C 176.244 176.244 175.480 0.764 RESID 58 (K): CA 55.941 55.941 55.912 0.029 RESID 58 (K): CB 33.552 33.552 34.004 -0.452 RESID 58 (K): H 8.206 8.206 7.645 0.561 RESID 59 (A): N 126.086 126.086 126.882 -0.796 RESID 59 (A): HA 4.354 4.354 4.506 -0.152 RESID 59 (A): C 177.815 177.815 177.696 0.119 RESID 59 (A): CA 52.346 52.346 52.666 -0.320 RESID 59 (A): CB 19.479 19.479 18.996 0.483 RESID 59 (A): H 8.518 8.518 8.321 0.197 RESID 60 (T): N 114.453 114.453 110.626 3.827 RESID 60 (T): HA 4.434 4.434 4.366 0.068 RESID 60 (T): C 175.282 175.282 174.136 1.146 RESID 60 (T): CA 61.740 61.740 61.126 0.614 RESID 60 (T): CB 70.210 70.210 70.076 0.134 RESID 60 (T): H 8.402 8.402 7.835 0.567 RESID 61 (T): N 115.217 115.217 110.276 4.941 RESID 61 (T): HA 4.360 4.360 4.493 -0.133 RESID 61 (T): C 175.851 175.851 175.301 0.550 RESID 61 (T): CA 61.847 61.847 60.035 1.812 RESID 61 (T): CB 70.682 70.682 71.871 -1.189 RESID 61 (T): H 8.429 8.429 8.191 0.238 RESID 62 (E): N 120.843 120.843 121.131 -0.288 RESID 62 (E): HA 3.923 3.923 4.033 -0.110 RESID 62 (E): C 179.517 179.517 178.886 0.631 RESID 62 (E): CA 59.568 59.568 60.153 -0.585 RESID 62 (E): CB 29.223 29.223 29.030 0.193 RESID 62 (E): H 9.049 9.049 9.004 0.045 RESID 63 (E): N 119.900 119.900 119.831 0.069 RESID 63 (E): HA 3.768 3.768 4.087 -0.319 RESID 63 (E): C 177.635 177.635 179.046 -1.411 RESID 63 (E): CA 60.882 60.882 59.704 1.178 RESID 63 (E): CB 29.410 29.410 29.309 0.101 RESID 63 (E): H 8.857 8.857 8.613 0.244 RESID 64 (Q): N 118.374 118.374 117.823 0.551 RESID 64 (Q): HA 3.821 3.821 4.016 -0.195 RESID 64 (Q): C 178.986 178.986 178.120 0.866 RESID 64 (Q): CA 58.831 58.831 58.813 0.018 RESID 64 (Q): CB 28.480 28.480 28.757 -0.277 RESID 64 (Q): H 7.923 7.923 7.722 0.201 RESID 65 (K): N 119.234 119.234 118.947 0.287 RESID 65 (K): HA 3.940 3.940 4.127 -0.187 RESID 65 (K): C 178.993 178.993 179.486 -0.493 RESID 65 (K): CA 59.547 59.547 58.786 0.761 RESID 65 (K): CB 32.502 32.502 32.673 -0.172 RESID 65 (K): H 8.258 8.258 8.126 0.132 RESID 66 (L): N 120.500 120.500 121.896 -1.396 RESID 66 (L): HA 4.060 4.060 4.095 -0.035 RESID 66 (L): C 178.729 178.729 178.855 -0.126 RESID 66 (L): CA 58.217 58.217 57.503 0.714 RESID 66 (L): CB 41.328 41.328 42.326 -0.998 RESID 66 (L): H 7.786 7.786 8.380 -0.594 RESID 67 (I): N 118.533 118.533 118.010 0.523 RESID 67 (I): HA 3.817 3.817 3.658 0.159 RESID 67 (I): C 177.644 177.644 176.574 1.070 RESID 67 (I): CA 62.837 62.837 63.593 -0.756 RESID 67 (I): CB 36.617 36.617 37.879 -1.262 RESID 67 (I): H 8.049 8.049 8.479 -0.430 RESID 68 (E): N 121.332 121.332 117.306 4.026 RESID 68 (E): HA 4.117 4.117 4.200 -0.083 RESID 68 (E): C 181.037 181.037 178.052 2.985 RESID 68 (E): CA 59.800 59.800 58.052 1.748 RESID 68 (E): CB 29.330 29.330 29.506 -0.176 RESID 68 (E): H 8.178 8.178 7.677 0.501 RESID 69 (K): N 120.580 120.580 120.189 0.391 RESID 69 (K): HA 4.120 4.120 4.222 -0.102 RESID 69 (K): C 180.563 180.563 178.703 1.860 RESID 69 (K): CA 59.667 59.667 58.343 1.325 RESID 69 (K): CB 33.436 33.436 33.111 0.325 RESID 69 (K): H 7.921 7.921 8.045 -0.124 RESID 70 (I): N 123.857 123.857 120.324 3.533 RESID 70 (I): HA 3.761 3.761 3.672 0.089 RESID 70 (I): C 178.582 178.582 176.305 2.277 RESID 70 (I): CA 63.442 63.442 63.477 -0.035 RESID 70 (I): CB 36.146 36.146 37.867 -1.721 RESID 70 (I): H 8.533 8.533 8.056 0.477 RESID 71 (N): N 121.132 121.132 118.685 2.447 RESID 71 (N): HA 4.596 4.596 4.272 0.324 RESID 71 (N): C 178.680 178.680 177.263 1.417 RESID 71 (N): CA 56.116 56.116 56.505 -0.389 RESID 71 (N): CB 37.991 37.991 37.245 0.746 RESID 71 (N): H 9.041 9.041 8.253 0.788 RESID 72 (A): N 123.574 123.574 122.609 0.965 RESID 72 (A): HA 4.231 4.231 4.133 0.098 RESID 72 (A): C 181.206 181.206 179.722 1.484 RESID 72 (A): CA 55.491 55.491 55.023 0.468 RESID 72 (A): CB 17.697 17.697 18.188 -0.491 RESID 72 (A): H 8.361 8.361 7.674 0.687 RESID 73 (G): N 109.949 109.949 107.087 2.862 RESID 73 (G): C 175.146 175.146 176.608 -1.462 RESID 73 (G): CA 47.137 47.137 46.941 0.196 RESID 73 (G): H 8.429 8.429 7.611 0.818 RESID 74 (F): N 124.896 124.896 121.763 3.133 RESID 74 (F): HA 4.079 4.079 4.326 -0.247 RESID 74 (F): C 177.084 177.084 177.607 -0.523 RESID 74 (F): CA 62.295 62.295 59.363 2.932 RESID 74 (F): CB 39.696 39.696 38.670 1.026 RESID 74 (F): H 9.000 9.000 8.386 0.614 RESID 75 (K): N 118.457 118.457 120.232 -1.775 RESID 75 (K): HA 4.009 4.009 3.937 0.072 RESID 75 (K): C 179.824 179.824 179.054 0.770 RESID 75 (K): CA 60.011 60.011 59.999 0.012 RESID 75 (K): CB 32.450 32.450 32.138 0.312 RESID 75 (K): H 8.165 8.165 8.966 -0.801 RESID 76 (A): N 122.983 122.983 121.138 1.845 RESID 76 (A): HA 4.127 4.127 4.091 0.036 RESID 76 (A): C 180.654 180.654 179.488 1.166 RESID 76 (A): CA 54.723 54.723 55.056 -0.333 RESID 76 (A): CB 17.580 17.580 18.038 -0.458 RESID 76 (A): H 8.429 8.429 8.008 0.421 RESID 77 (A): N 124.931 124.931 121.395 3.536 RESID 77 (A): HA 3.765 3.765 4.140 -0.375 RESID 77 (A): C 178.922 178.922 179.640 -0.718 RESID 77 (A): CA 55.160 55.160 54.239 0.922 RESID 77 (A): CB 18.170 18.170 18.418 -0.248 RESID 77 (A): H 8.407 8.407 7.204 1.203 RESID 78 (L): N 121.008 121.008 119.015 1.993 RESID 78 (L): HA 4.180 4.180 3.814 0.366 RESID 78 (L): C 180.456 180.456 179.905 0.551 RESID 78 (L): CA 58.160 58.160 57.654 0.506 RESID 78 (L): CB 42.895 42.895 41.685 1.210 RESID 78 (L): H 8.412 8.412 8.576 -0.164 RESID 79 (A): N 121.505 121.505 121.615 -0.110 RESID 79 (A): HA 4.133 4.133 4.113 0.020 RESID 79 (A): C 180.329 180.329 179.186 1.143 RESID 79 (A): CA 54.697 54.697 54.888 -0.191 RESID 79 (A): CB 17.662 17.662 18.074 -0.412 RESID 79 (A): H 7.813 7.813 8.743 -0.930 RESID 80 (A): N 121.520 121.520 119.063 2.457 RESID 80 (A): HA 4.055 4.055 4.181 -0.126 RESID 80 (A): C 181.040 181.040 177.854 3.186 RESID 80 (A): CA 54.340 54.340 53.458 0.882 RESID 80 (A): CB 18.700 18.700 18.395 0.305 RESID 80 (A): H 8.278 8.278 7.470 0.808 RESID 81 (A): N 119.451 119.451 120.624 -1.173 RESID 81 (A): HA 4.179 4.179 4.259 -0.080 RESID 81 (A): C 178.308 178.308 177.812 0.496 RESID 81 (A): CA 53.950 53.950 53.898 0.052 RESID 81 (A): CB 18.900 18.900 19.528 -0.628 RESID 81 (A): H 8.428 8.428 7.378 1.050 RESID 82 (A): N 119.868 119.868 119.726 0.142 RESID 82 (A): HA 4.018 4.018 4.533 -0.515 RESID 82 (A): C 178.696 178.696 177.469 1.227 RESID 82 (A): CA 54.290 54.290 51.238 3.052 RESID 82 (A): CB 18.200 18.200 20.339 -2.139 RESID 82 (A): H 7.860 7.860 7.380 0.480 RESID 83 (G): N 128.265 128.265 107.646 20.619 RESID 83 (G): C 174.104 174.104 174.823 -0.719 RESID 83 (G): CA 44.978 44.978 45.126 -0.148 RESID 83 (G): H 7.429 7.429 8.647 -1.218 RESID 84 (V): N 111.883 111.883 117.183 -5.300 RESID 84 (V): HA 4.801 4.801 4.372 0.429 RESID 84 (V): C 175.136 175.136 175.410 -0.274 RESID 84 (V): CA 58.875 58.875 60.762 -1.887 RESID 84 (V): CB 34.417 34.417 32.804 1.613 RESID 84 (V): H 7.052 7.052 7.462 -0.410 RESID 85 (Q): N 119.223 119.223 118.744 0.479 RESID 85 (Q): HA 4.410 4.410 4.480 -0.070 RESID 85 (Q): CA 54.350 54.350 54.685 -0.335 RESID 85 (Q): CB 26.663 26.663 28.017 -1.354 RESID 85 (Q): H 8.687 8.687 8.348 0.339 RESID 86 (P): HA 4.345 4.345 4.186 0.159 RESID 86 (P): CA 62.130 62.130 64.328 -2.198 RESID 86 (P): CB 32.330 32.330 31.701 0.630 RESID 87 (A): N 118.968 118.968 119.041 -0.073 RESID 87 (A): HA 4.177 4.177 4.454 -0.277 RESID 87 (A): C 177.901 177.901 176.881 1.020 RESID 87 (A): CA 54.580 54.580 51.337 3.243 RESID 87 (A): CB 18.675 18.675 20.038 -1.363 RESID 87 (A): H 8.949 8.949 7.331 1.618 RESID 88 (D): N 114.859 114.859 115.012 -0.153 RESID 88 (D): HA 5.032 5.032 4.394 0.637 RESID 88 (D): C 177.564 177.564 177.137 0.427 RESID 88 (D): CA 54.500 54.500 56.334 -1.834 RESID 88 (D): CB 43.027 43.027 39.489 3.538 RESID 88 (D): H 8.201 8.201 8.798 -0.597 RESID 89 (K): N 124.691 124.691 117.700 6.991 RESID 89 (K): HA 3.367 3.367 4.193 -0.826 RESID 89 (K): C 177.108 177.108 177.900 -0.792 RESID 89 (K): CA 62.300 62.300 58.750 3.550 RESID 89 (K): CB 32.541 32.541 32.797 -0.257 RESID 89 (K): H 7.553 7.553 8.134 -0.581 RESID 90 (Y): N 119.522 119.522 122.466 -2.944 RESID 90 (Y): HA 4.226 4.226 4.784 -0.558 RESID 90 (Y): C 175.856 175.856 177.521 -1.665 RESID 90 (Y): CA 62.070 62.070 60.410 1.660 RESID 90 (Y): CB 37.336 37.336 38.336 -1.000 RESID 90 (Y): H 9.244 9.244 8.356 0.888 RESID 91 (R): N 118.233 118.233 118.179 0.054 RESID 91 (R): HA 3.603 3.603 3.905 -0.302 RESID 91 (R): C 179.347 179.347 178.587 0.760 RESID 91 (R): CA 59.173 59.173 60.139 -0.966 RESID 91 (R): CB 29.209 29.209 30.076 -0.867 RESID 91 (R): H 8.973 8.973 8.738 0.235 RESID 92 (T): N 116.043 116.043 114.652 1.391 RESID 92 (T): HA 3.912 3.912 4.089 -0.177 RESID 92 (T): C 176.425 176.425 176.375 0.050 RESID 92 (T): CA 67.061 67.061 65.606 1.455 RESID 92 (T): CB 68.762 68.762 68.851 -0.089 RESID 92 (T): H 7.949 7.949 7.638 0.311 RESID 93 (F): N 125.587 125.587 123.271 2.316 RESID 93 (F): HA 3.764 3.764 4.136 -0.372 RESID 93 (F): C 177.008 177.008 176.718 0.290 RESID 93 (F): CA 62.783 62.783 61.895 0.888 RESID 93 (F): CB 39.771 39.771 39.161 0.610 RESID 93 (F): H 9.047 9.047 7.575 1.472 RESID 94 (V): N 118.057 118.057 117.252 0.805 RESID 94 (V): HA 3.285 3.285 3.615 -0.330 RESID 94 (V): C 179.641 179.641 177.759 1.882 RESID 94 (V): CA 67.046 67.046 65.384 1.662 RESID 94 (V): CB 31.890 31.890 31.784 0.106 RESID 94 (V): H 8.540 8.540 7.645 0.895 RESID 95 (A): N 121.659 121.659 121.473 0.186 RESID 95 (A): HA 4.076 4.076 4.226 -0.150 RESID 95 (A): C 180.431 180.431 179.154 1.277 RESID 95 (A): CA 55.002 55.002 54.987 0.015 RESID 95 (A): CB 18.135 18.135 18.653 -0.518 RESID 95 (A): H 8.056 8.056 8.403 -0.347 RESID 96 (T): N 115.396 115.396 116.262 -0.866 RESID 96 (T): HA 4.197 4.197 4.097 0.100 RESID 96 (T): C 176.605 176.605 176.127 0.478 RESID 96 (T): CA 68.450 68.450 65.775 2.675 RESID 96 (T): CB 66.738 66.738 68.795 -2.057 RESID 96 (T): H 7.904 7.904 8.396 -0.492 RESID 97 (F): N 123.502 123.502 122.547 0.955 RESID 97 (F): HA 3.628 3.628 3.825 -0.197 RESID 97 (F): C 177.130 177.130 176.583 0.547 RESID 97 (F): CA 61.883 61.883 60.821 1.062 RESID 97 (F): CB 39.300 39.300 38.242 1.058 RESID 97 (F): H 9.024 9.024 7.732 1.292 RESID 98 (G): N 107.348 107.348 106.715 0.633 RESID 98 (G): C 175.718 175.718 174.979 0.739 RESID 98 (G): CA 46.926 46.926 46.936 -0.010 RESID 98 (G): H 8.476 8.476 7.861 0.615 RESID 99 (A): N 122.344 122.344 123.782 -1.438 RESID 99 (A): HA 4.130 4.130 4.045 0.085 RESID 99 (A): C 180.299 180.299 179.234 1.065 RESID 99 (A): CA 54.856 54.856 54.470 0.386 RESID 99 (A): CB 17.755 17.755 18.221 -0.467 RESID 99 (A): H 7.404 7.404 7.340 0.064 RESID 100 (A): N 121.274 121.274 120.841 0.433 RESID 100 (A): HA 4.207 4.207 3.877 0.330 RESID 100 (A): C 181.140 181.140 179.434 1.706 RESID 100 (A): CA 54.496 54.496 54.901 -0.405 RESID 100 (A): CB 17.543 17.543 18.076 -0.533 RESID 100 (A): H 9.009 9.009 7.962 1.047 RESID 101 (S): N 116.676 116.676 113.195 3.481 RESID 101 (S): HA 4.202 4.202 3.636 0.566 RESID 101 (S): C 176.687 176.687 175.973 0.714 RESID 101 (S): CA 68.500 68.500 60.827 7.673 RESID 101 (S): CB 67.022 67.022 62.316 4.706 RESID 101 (S): H 7.861 7.861 7.978 -0.117 RESID 102 (N): HA 4.281 4.281 4.351 -0.070 RESID 102 (N): CA 55.960 55.960 55.674 0.286 RESID 102 (N): CB 37.701 37.701 37.879 -0.178 RESID 103 (K): N 120.130 120.130 121.267 -1.137 RESID 103 (K): HA 4.009 4.009 3.940 0.069 RESID 103 (K): C 177.809 177.809 178.383 -0.574 RESID 103 (K): CA 59.437 59.437 59.449 -0.012 RESID 103 (K): CB 32.638 32.638 32.465 0.173 RESID 103 (K): H 7.716 7.716 7.935 -0.219 RESID 104 (A): N 121.097 121.097 121.522 -0.425 RESID 104 (A): HA 3.994 3.994 4.073 -0.079 RESID 104 (A): C 180.119 180.119 180.087 0.032 RESID 104 (A): CA 54.666 54.666 54.819 -0.153 RESID 104 (A): CB 18.369 18.369 18.338 0.031 RESID 104 (A): H 7.762 7.762 7.254 0.508 RESID 105 (F): N 116.920 116.920 117.091 -0.171 RESID 105 (F): HA 4.231 4.231 4.229 0.002 RESID 105 (F): C 177.950 177.950 177.120 0.830 RESID 105 (F): CA 59.775 59.775 58.769 1.006 RESID 105 (F): CB 38.380 38.380 37.800 0.581 RESID 105 (F): H 8.508 8.508 7.749 0.759 RESID 106 (A): N 121.978 121.978 118.460 3.518 RESID 106 (A): HA 4.180 4.180 4.244 -0.064 RESID 106 (A): CA 54.164 54.164 53.912 0.252 RESID 106 (A): CB 18.482 18.482 18.540 -0.058 RESID 106 (A): H 7.885 7.885 8.099 -0.214 RESID 107 (E): N 118.006 118.006 118.131 -0.125 RESID 107 (E): HA 4.125 4.125 4.400 -0.275 RESID 107 (E): C 177.933 177.933 177.892 0.041 RESID 107 (E): CA 57.663 57.663 56.726 0.937 RESID 107 (E): CB 30.205 30.205 30.514 -0.309 RESID 107 (E): H 7.991 7.991 7.763 0.228 RESID 108 (G): N 108.097 108.097 108.160 -0.063 RESID 108 (G): C 174.327 174.327 173.289 1.038 RESID 108 (G): CA 45.675 45.675 44.559 1.116 RESID 108 (G): H 8.106 8.106 8.269 -0.163 RESID 109 (L): N 121.291 121.291 121.844 -0.553 RESID 109 (L): HA 4.338 4.338 4.256 0.082 RESID 109 (L): C 177.737 177.737 175.876 1.861 RESID 109 (L): CA 55.404 55.404 56.110 -0.706 RESID 109 (L): CB 42.279 42.279 41.498 0.781 RESID 109 (L): H 7.965 7.965 7.800 0.165 RESID 110 (S): N 115.953 115.953 122.016 -6.063 RESID 110 (S): HA 4.350 4.350 4.698 -0.348 RESID 110 (S): C 175.049 175.049 174.019 1.030 RESID 110 (S): CA 58.898 58.898 57.404 1.494 RESID 110 (S): CB 63.724 63.724 66.154 -2.430 RESID 110 (S): H 8.243 8.243 8.222 0.021 RESID 111 (G): N 110.568 110.568 108.602 1.966 RESID 111 (G): C 173.855 173.855 173.709 0.146 RESID 111 (G): CA 45.127 45.127 45.566 -0.439 RESID 111 (G): H 8.392 8.392 8.500 -0.108 RESID 112 (E): N 121.380 121.380 119.364 2.016 RESID 112 (E): HA 4.538 4.538 4.222 0.316 RESID 112 (E): CA 54.191 54.191 55.782 -1.591 RESID 112 (E): CB 29.390 29.390 28.783 0.607 RESID 112 (E): H 8.060 8.060 8.533 -0.473 RESID 113 (P): HA 4.349 4.349 4.281 0.068 RESID 113 (P): CA 63.375 63.375 63.843 -0.468 RESID 113 (P): CB 32.052 32.052 32.024 0.028 RESID 114 (K): N 121.571 121.571 117.767 3.804 RESID 114 (K): HA 4.246 4.246 4.147 0.099 RESID 114 (K): C 177.324 177.324 177.476 -0.152 RESID 114 (K): CA 56.277 56.277 57.193 -0.916 RESID 114 (K): CB 32.803 32.803 32.201 0.602 RESID 114 (K): H 8.536 8.536 7.961 0.575 RESID 115 (G): N 110.197 110.197 106.892 3.305 RESID 115 (G): C 174.102 174.102 174.182 -0.080 RESID 115 (G): CA 45.232 45.232 43.949 1.283 RESID 115 (G): H 8.490 8.490 7.565 0.925 RESID 116 (A): N 123.966 123.966 124.875 -0.909 RESID 116 (A): HA 4.210 4.210 4.060 0.150 RESID 116 (A): C 178.191 178.191 177.833 0.358 RESID 116 (A): CA 53.081 53.081 53.432 -0.351 RESID 116 (A): CB 19.458 19.458 18.548 0.910 RESID 116 (A): H 8.205 8.205 8.450 -0.245 RESID 117 (A): N 122.628 122.628 119.739 2.889 RESID 117 (A): HA 4.199 4.199 4.252 -0.053 RESID 117 (A): C 178.499 178.499 176.690 1.809 RESID 117 (A): CA 53.146 53.146 52.331 0.815 RESID 117 (A): CB 19.106 19.106 19.242 -0.136 RESID 117 (A): H 8.429 8.429 7.964 0.465 RESID 118 (E): N 119.797 119.797 120.320 -0.523 RESID 118 (E): HA 4.199 4.199 4.371 -0.172 RESID 118 (E): C 177.223 177.223 176.473 0.750 RESID 118 (E): CA 57.387 57.387 57.247 0.140 RESID 118 (E): CB 30.168 30.168 31.212 -1.044 RESID 118 (E): H 8.451 8.451 8.835 -0.384 RESID 119 (S): N 116.850 116.850 112.178 4.672 RESID 119 (S): HA 4.397 4.397 4.459 -0.062 RESID 119 (S): C 175.564 175.564 176.117 -0.553 RESID 119 (S): CA 58.914 58.914 59.161 -0.247 RESID 119 (S): CB 63.487 63.487 63.737 -0.250 RESID 119 (S): H 8.432 8.432 8.222 0.210 RESID 120 (S): N 118.812 118.812 119.070 -0.258 RESID 120 (S): HA 4.330 4.330 4.168 0.162 RESID 120 (S): C 176.421 176.421 176.565 -0.144 RESID 120 (S): CA 59.906 59.906 61.770 -1.864 RESID 120 (S): CB 63.110 63.110 62.427 0.683 RESID 120 (S): H 8.559 8.559 8.622 -0.063 RESID 121 (S): N 118.669 118.669 116.176 2.493 RESID 121 (S): HA 4.288 4.288 4.269 0.019 RESID 121 (S): C 176.593 176.593 176.350 0.243 RESID 121 (S): CA 60.439 60.439 61.768 -1.329 RESID 121 (S): CB 62.780 62.780 63.048 -0.268 RESID 121 (S): H 8.462 8.462 8.336 0.126 RESID 122 (K): N 123.978 123.978 120.845 3.133 RESID 122 (K): HA 4.060 4.060 4.591 -0.531 RESID 122 (K): CA 59.263 59.263 58.186 1.077 RESID 122 (K): CB 32.296 32.296 32.484 -0.188 RESID 122 (K): H 8.212 8.212 7.344 0.868 RESID 123 (A): N 123.450 123.450 123.507 -0.057 RESID 123 (A): HA 4.136 4.136 4.210 -0.074 RESID 123 (A): CA 54.330 54.330 54.977 -0.647 RESID 123 (A): CB 18.320 18.320 18.280 0.040 RESID 123 (A): H 8.209 8.209 8.542 -0.333 RESID 124 (A): N 121.680 121.680 121.174 0.506 RESID 124 (A): HA 4.105 4.105 4.074 0.031 RESID 124 (A): CA 54.550 54.550 55.013 -0.463 RESID 124 (A): CB 18.260 18.260 18.152 0.108 RESID 124 (A): H 8.093 8.093 7.633 0.460 RESID 125 (L): N 120.426 120.426 118.575 1.851 RESID 125 (L): HA 4.072 4.072 4.111 -0.039 RESID 125 (L): C 178.680 178.680 178.748 -0.068 RESID 125 (L): CA 57.920 57.920 57.914 0.006 RESID 125 (L): CB 41.254 41.254 41.814 -0.560 RESID 125 (L): H 8.091 8.091 7.912 0.179 RESID 126 (T): N 112.939 112.939 112.416 0.523 RESID 126 (T): HA 4.045 4.045 4.111 -0.066 RESID 126 (T): C 176.662 176.662 177.101 -0.439 RESID 126 (T): CA 68.000 68.000 66.326 1.674 RESID 126 (T): CB 66.703 66.703 68.369 -1.666 RESID 126 (T): H 8.439 8.439 8.241 0.198 RESID 127 (S): N 116.674 116.674 118.369 -1.695 RESID 127 (S): HA 4.230 4.230 4.106 0.124 RESID 127 (S): C 177.500 177.500 176.619 0.881 RESID 127 (S): CA 61.651 61.651 62.614 -0.963 RESID 127 (S): CB 62.770 62.770 62.984 -0.214 RESID 127 (S): H 7.830 7.830 8.744 -0.914 RESID 128 (K): N 122.748 122.748 121.773 0.975 RESID 128 (K): HA 4.178 4.178 4.203 -0.025 RESID 128 (K): C 180.027 180.027 178.898 1.129 RESID 128 (K): CA 59.720 59.720 59.029 0.691 RESID 128 (K): CB 32.811 32.811 32.564 0.247 RESID 128 (K): H 7.837 7.837 7.618 0.219 RESID 129 (L): N 122.100 122.100 121.407 0.693 RESID 129 (L): HA 3.680 3.680 4.178 -0.498 RESID 129 (L): C 176.494 176.494 178.838 -2.344 RESID 129 (L): CA 57.837 57.837 58.155 -0.318 RESID 129 (L): CB 41.142 41.142 41.911 -0.769 RESID 129 (L): H 8.389 8.389 7.982 0.406 RESID 130 (D): N 117.732 117.732 119.148 -1.416 RESID 130 (D): HA 4.104 4.104 4.656 -0.552 RESID 130 (D): C 178.771 178.771 178.418 0.353 RESID 130 (D): CA 57.828 57.828 57.163 0.665 RESID 130 (D): CB 41.591 41.591 40.915 0.676 RESID 130 (D): H 8.237 8.237 8.896 -0.659 RESID 131 (A): N 119.043 119.043 122.577 -3.534 RESID 131 (A): HA 4.031 4.031 4.131 -0.100 RESID 131 (A): C 180.501 180.501 179.696 0.805 RESID 131 (A): CA 55.080 55.080 55.348 -0.268 RESID 131 (A): CB 17.836 17.836 18.289 -0.453 RESID 131 (A): H 7.701 7.701 8.080 -0.379 RESID 132 (A): N 123.553 123.553 121.077 2.476 RESID 132 (A): HA 4.097 4.097 4.145 -0.048 RESID 132 (A): C 179.369 179.369 179.455 -0.086 RESID 132 (A): CA 54.773 54.773 54.902 -0.129 RESID 132 (A): CB 18.260 18.260 18.314 -0.054 RESID 132 (A): H 7.862 7.862 8.222 -0.360 RESID 133 (Y): N 119.392 119.392 120.511 -1.119 RESID 133 (Y): HA 4.127 4.127 4.143 -0.016 RESID 133 (Y): C 180.484 180.484 178.162 2.322 RESID 133 (Y): CA 57.910 57.910 62.247 -4.337 RESID 133 (Y): CB 35.838 35.838 38.463 -2.625 RESID 133 (Y): H 8.847 8.847 8.002 0.845 RESID 134 (K): N 121.044 121.044 119.224 1.820 RESID 134 (K): HA 4.212 4.212 4.242 -0.030 RESID 134 (K): C 178.998 178.998 179.181 -0.183 RESID 134 (K): CA 59.861 59.861 58.539 1.322 RESID 134 (K): CB 32.553 32.553 32.390 0.163 RESID 134 (K): H 8.298 8.298 8.665 -0.367 RESID 135 (L): N 122.293 122.293 120.827 1.466 RESID 135 (L): HA 4.201 4.201 4.133 0.068 RESID 135 (L): C 180.381 180.381 178.422 1.959 RESID 135 (L): CA 57.871 57.871 57.733 0.138 RESID 135 (L): CB 41.852 41.852 41.564 0.288 RESID 135 (L): H 8.207 8.207 8.458 -0.251 RESID 136 (A): N 124.897 124.897 121.478 3.419 RESID 136 (A): HA 3.736 3.736 4.098 -0.361 RESID 136 (A): C 178.374 178.374 179.503 -1.129 RESID 136 (A): CA 56.103 56.103 55.105 0.998 RESID 136 (A): CB 17.563 17.563 18.236 -0.673 RESID 136 (A): H 8.614 8.614 8.636 -0.022 RESID 137 (Y): N 118.204 118.204 119.950 -1.746 RESID 137 (Y): HA 4.334 4.334 3.095 1.239 RESID 137 (Y): C 177.390 177.390 177.268 0.122 RESID 137 (Y): CA 62.357 62.357 60.776 1.581 RESID 137 (Y): CB 38.728 38.728 38.287 0.441 RESID 137 (Y): H 8.320 8.320 8.236 0.084 RESID 138 (K): N 119.255 119.255 118.652 0.603 RESID 138 (K): HA 3.897 3.897 3.746 0.151 RESID 138 (K): C 179.695 179.695 178.856 0.839 RESID 138 (K): CA 59.242 59.242 59.565 -0.323 RESID 138 (K): CB 32.309 32.309 32.311 -0.002 RESID 138 (K): H 8.722 8.722 8.308 0.414 RESID 139 (T): N 116.244 116.244 114.909 1.335 RESID 139 (T): HA 4.120 4.120 3.946 0.174 RESID 139 (T): C 176.563 176.563 175.855 0.708 RESID 139 (T): CA 68.750 68.750 66.240 2.510 RESID 139 (T): CB 66.863 66.863 68.354 -1.491 RESID 139 (T): H 8.368 8.368 7.787 0.581 RESID 140 (A): N 124.310 124.310 122.427 1.883 RESID 140 (A): HA 3.884 3.884 3.975 -0.091 RESID 140 (A): C 179.123 179.123 178.397 0.726 RESID 140 (A): CA 54.887 54.887 54.574 0.313 RESID 140 (A): CB 19.489 19.489 17.901 1.587 RESID 140 (A): H 8.207 8.207 7.100 1.107 RESID 141 (E): N 117.572 117.572 117.098 0.474 RESID 141 (E): HA 3.696 3.696 3.947 -0.251 RESID 141 (E): C 177.623 177.623 177.769 -0.146 RESID 141 (E): CA 58.472 58.472 57.832 0.640 RESID 141 (E): CB 29.633 29.633 29.564 0.069 RESID 141 (E): H 8.324 8.324 7.358 0.966 RESID 142 (G): N 103.520 103.520 105.563 -2.043 RESID 142 (G): C 173.480 173.480 174.317 -0.837 RESID 142 (G): CA 44.841 44.841 44.679 0.162 RESID 142 (G): H 7.333 7.333 7.345 -0.012 RESID 143 (A): N 124.154 124.154 122.923 1.231 RESID 143 (A): HA 4.475 4.475 4.221 0.254 RESID 143 (A): C 177.290 177.290 176.815 0.475 RESID 143 (A): CA 50.615 50.615 52.403 -1.788 RESID 143 (A): CB 19.859 19.859 19.106 0.753 RESID 143 (A): H 7.339 7.339 7.864 -0.525 RESID 144 (T): N 112.353 112.353 117.133 -4.780 RESID 144 (T): HA 4.431 4.431 4.330 0.101 RESID 144 (T): C 174.105 174.105 174.764 -0.659 RESID 144 (T): CA 60.634 60.634 59.630 1.004 RESID 144 (T): CB 67.394 67.394 69.333 -1.939 RESID 144 (T): H 8.116 8.116 8.155 -0.039 RESID 145 (P): HA 3.914 3.914 4.288 -0.374 RESID 145 (P): C 179.300 179.300 176.680 2.620 RESID 145 (P): CA 66.875 66.875 64.101 2.774 RESID 145 (P): CB 32.327 32.327 31.330 0.997 RESID 146 (E): N 116.397 116.397 118.956 -2.559 RESID 146 (E): HA 4.178 4.178 4.153 0.025 RESID 146 (E): C 176.426 176.426 176.417 0.009 RESID 146 (E): CA 58.746 58.746 57.480 1.266 RESID 146 (E): CB 28.347 28.347 30.059 -1.712 RESID 146 (E): H 9.340 9.340 7.559 1.781 RESID 147 (A): N 123.484 123.484 119.060 4.424 RESID 147 (A): HA 4.678 4.678 4.498 0.180 RESID 147 (A): C 177.808 177.808 176.497 1.311 RESID 147 (A): CA 52.028 52.028 52.525 -0.497 RESID 147 (A): CB 20.943 20.943 18.968 1.975 RESID 147 (A): H 7.984 7.984 7.889 0.095 RESID 148 (K): N 120.663 120.663 120.903 -0.240 RESID 148 (K): HA 3.465 3.465 4.004 -0.539 RESID 148 (K): C 177.165 177.165 177.113 0.052 RESID 148 (K): CA 61.675 61.675 59.586 2.089 RESID 148 (K): CB 33.075 33.075 32.335 0.740 RESID 148 (K): H 7.285 7.285 8.126 -0.841 RESID 149 (Y): N 118.061 118.061 120.324 -2.263 RESID 149 (Y): HA 4.059 4.059 4.384 -0.325 RESID 149 (Y): C 175.368 175.368 177.084 -1.716 RESID 149 (Y): CA 62.206 62.206 61.579 0.627 RESID 149 (Y): CB 37.386 37.386 37.985 -0.599 RESID 149 (Y): H 8.793 8.793 8.098 0.695 RESID 150 (D): N 118.180 118.180 119.457 -1.277 RESID 150 (D): HA 3.820 3.820 4.354 -0.534 RESID 150 (D): C 178.927 178.927 178.376 0.551 RESID 150 (D): CA 57.373 57.373 57.429 -0.056 RESID 150 (D): CB 40.511 40.511 40.324 0.187 RESID 150 (D): H 8.442 8.442 8.605 -0.163 RESID 152 (Y): HA 3.803 3.803 4.090 -0.287 RESID 152 (Y): C 176.950 176.950 177.374 -0.424 RESID 152 (Y): CA 62.480 62.480 59.840 2.640 RESID 152 (Y): CB 39.180 39.180 37.797 1.383 RESID 153 (V): N 116.500 116.500 118.367 -1.867 RESID 153 (V): HA 2.980 2.980 2.914 0.066 RESID 153 (V): C 178.920 178.920 177.590 1.330 RESID 153 (V): CA 66.800 66.800 66.111 0.689 RESID 153 (V): CB 31.730 31.730 31.351 0.379 RESID 153 (V): H 8.126 8.126 7.755 0.371 RESID 154 (A): N 122.151 122.151 121.540 0.611 RESID 154 (A): HA 3.981 3.981 3.972 0.009 RESID 154 (A): C 176.909 176.909 179.245 -2.336 RESID 154 (A): CA 55.037 55.037 55.093 -0.056 RESID 154 (A): CB 18.243 18.243 18.125 0.118 RESID 154 (A): H 8.363 8.363 8.164 0.199 RESID 155 (T): N 114.478 114.478 116.758 -2.280 RESID 155 (T): HA 3.807 3.807 3.939 -0.132 RESID 155 (T): C 176.582 176.582 176.282 0.300 RESID 155 (T): CA 66.731 66.731 67.444 -0.713 RESID 155 (T): CB 68.550 68.550 68.540 0.010 RESID 155 (T): H 7.590 7.590 7.954 -0.364 RESID 156 (L): N 122.590 122.590 123.038 -0.448 RESID 156 (L): HA 3.873 3.873 3.833 0.040 RESID 156 (L): CA 57.829 57.829 58.334 -0.505 RESID 156 (L): CB 42.149 42.149 41.231 0.918 RESID 156 (L): H 8.449 8.449 7.393 1.056 RESID 157 (S): N 112.486 112.486 115.188 -2.702 RESID 157 (S): HA 3.873 3.873 3.893 -0.020 RESID 157 (S): C 177.485 177.485 176.707 0.778 RESID 157 (S): CA 62.556 62.556 62.163 0.393 RESID 157 (S): CB 61.390 61.390 62.645 -1.256 RESID 157 (S): H 8.705 8.705 7.710 0.995 RESID 158 (E): N 121.019 121.019 121.336 -0.317 RESID 158 (E): HA 4.124 4.124 4.033 0.091 RESID 158 (E): C 177.558 177.558 178.568 -1.010 RESID 158 (E): CA 58.615 58.615 59.256 -0.641 RESID 158 (E): CB 29.232 29.232 29.690 -0.458 RESID 158 (E): H 7.408 7.408 7.660 -0.252 RESID 159 (A): N 120.731 120.731 122.385 -1.654 RESID 159 (A): HA 4.121 4.121 4.133 -0.012 RESID 159 (A): C 181.006 181.006 180.054 0.952 RESID 159 (A): CA 55.181 55.181 55.017 0.164 RESID 159 (A): CB 18.546 18.546 18.512 0.034 RESID 159 (A): H 7.803 7.803 7.795 0.008 RESID 160 (L): N 116.637 116.637 119.155 -2.518 RESID 160 (L): HA 3.901 3.901 4.188 -0.287 RESID 160 (L): C 179.216 179.216 178.688 0.528 RESID 160 (L): CA 57.843 57.843 57.230 0.613 RESID 160 (L): CB 41.050 41.050 41.933 -0.883 RESID 160 (L): H 8.670 8.670 8.802 -0.132 RESID 161 (R): N 121.986 121.986 119.696 2.290 RESID 161 (R): HA 3.908 3.908 4.130 -0.222 RESID 161 (R): C 179.790 179.790 179.190 0.600 RESID 161 (R): CA 59.657 59.657 58.087 1.570 RESID 161 (R): CB 29.935 29.935 29.717 0.218 RESID 161 (R): H 7.914 7.914 8.116 -0.202 RESID 162 (I): N 120.810 120.810 121.428 -0.618 RESID 162 (I): HA 3.683 3.683 3.773 -0.090 RESID 162 (I): C 179.685 179.685 176.880 2.805 RESID 162 (I): CA 64.321 64.321 64.259 0.062 RESID 162 (I): CB 37.832 37.832 37.974 -0.142 RESID 162 (I): H 7.895 7.895 8.304 -0.409 RESID 163 (I): HA 3.560 3.560 3.754 -0.194 RESID 163 (I): CA 65.367 65.367 64.369 0.998 RESID 163 (I): CB 38.510 38.510 37.918 0.592 RESID 164 (A): N 121.450 121.450 120.478 0.972 RESID 164 (A): HA 3.938 3.938 4.114 -0.176 RESID 164 (A): C 179.920 179.920 178.505 1.415 RESID 164 (A): CA 55.090 55.090 54.238 0.852 RESID 164 (A): CB 18.170 18.170 18.322 -0.152 RESID 164 (A): H 8.525 8.525 7.633 0.892 RESID 165 (G): N 104.876 104.876 104.517 0.359 RESID 165 (G): C 175.831 175.831 176.077 -0.246 RESID 165 (G): CA 46.602 46.602 45.821 0.782 RESID 165 (G): H 7.921 7.921 7.798 0.123 RESID 166 (T): N 111.734 111.734 113.971 -2.237 RESID 166 (T): HA 4.306 4.306 4.409 -0.103 RESID 166 (T): C 175.095 175.095 175.671 -0.576 RESID 166 (T): CA 63.000 63.000 63.595 -0.595 RESID 166 (T): CB 69.795 69.795 69.205 0.590 RESID 166 (T): H 7.786 7.786 7.814 -0.028 RESID 167 (L): N 121.291 121.291 120.745 0.546 RESID 167 (L): HA 4.262 4.262 4.461 -0.199 RESID 167 (L): C 177.004 177.004 176.094 0.910 RESID 167 (L): CA 55.040 55.040 54.622 0.418 RESID 167 (L): CB 42.292 42.292 42.237 0.055 RESID 167 (L): H 7.456 7.456 7.487 -0.031 RESID 168 (E): N 119.686 119.686 119.102 0.584 RESID 168 (E): HA 4.151 4.151 4.152 -0.001 RESID 168 (E): C 176.001 176.001 177.214 -1.213 RESID 168 (E): CA 56.210 56.210 56.501 -0.291 RESID 168 (E): CB 30.242 30.242 29.991 0.251 RESID 168 (E): H 7.840 7.840 7.519 0.321 RESID 169 (V): N 120.922 120.922 126.782 -5.860 RESID 169 (V): HA 3.979 3.979 3.781 0.198 RESID 169 (V): C 175.876 175.876 176.322 -0.446 RESID 169 (V): CA 56.270 56.270 64.586 -8.316 RESID 169 (V): H 8.060 8.060 8.405 -0.345 RESID 170 (H): N 122.829 122.829 116.126 6.703 RESID 170 (H): HA 4.626 4.626 4.320 0.306 RESID 170 (H): C 174.023 174.023 174.514 -0.491 RESID 170 (H): CA 55.025 55.025 55.394 -0.369 RESID 170 (H): CB 29.661 29.661 29.344 0.317 RESID 170 (H): H 8.560 8.560 8.285 0.275 RESID 171 (A): N 125.857 125.857 124.448 1.409 RESID 171 (A): HA 4.206 4.206 4.232 -0.026 RESID 171 (A): C 177.398 177.398 177.019 0.379 RESID 171 (A): CA 52.300 52.300 52.848 -0.548 RESID 171 (A): CB 18.300 18.300 19.728 -1.428 RESID 171 (A): H 8.393 8.393 8.105 0.288 RESID 172 (V): N 120.329 120.329 118.473 1.856 RESID 172 (V): HA 4.011 4.011 3.944 0.067 RESID 172 (V): C 175.833 175.833 174.642 1.191 RESID 172 (V): CA 61.923 61.923 63.631 -1.708 RESID 172 (V): CB 32.550 32.550 31.868 0.682 RESID 172 (V): H 8.238 8.238 7.908 0.330 RESID 173 (K): N 127.029 127.029 126.076 0.953 RESID 173 (K): C 174.205 174.205 174.724 -0.519 RESID 173 (K): CA 54.059 54.059 54.089 -0.030 RESID 173 (K): CB 32.437 32.437 32.985 -0.548 RESID 173 (K): H 8.442 8.442 8.163 0.279 RESID 174 (P): HA 4.322 4.322 4.353 -0.031 RESID 174 (P): CA 63.140 63.140 63.311 -0.171 RESID 174 (P): CB 32.320 32.320 32.165 0.155 RESID 175 (A): N 125.330 125.330 125.330 0.000 RESID 175 (A): HA 4.189 4.189 4.140 0.049 RESID 175 (A): C 178.296 178.296 177.548 0.748 RESID 175 (A): CA 53.043 53.043 51.971 1.073 RESID 175 (A): CB 19.376 19.376 18.165 1.211 RESID 175 (A): H 8.430 8.430 8.344 0.086 RESID 176 (A): N 123.143 123.143 122.840 0.303 RESID 176 (A): HA 4.204 4.204 4.161 0.043 RESID 176 (A): C 177.718 177.718 177.721 -0.003 RESID 176 (A): CA 52.432 52.432 51.967 0.465 RESID 176 (A): CB 19.500 19.500 19.059 0.441 RESID 176 (A): H 8.326 8.326 8.089 0.237 RESID 177 (E): N 119.752 119.752 118.709 1.043 RESID 177 (E): HA 4.142 4.142 4.256 -0.114 RESID 177 (E): C 176.350 176.350 174.975 1.375 RESID 177 (E): CA 56.302 56.302 56.802 -0.500 RESID 177 (E): CB 30.333 30.333 29.088 1.245 RESID 177 (E): H 8.354 8.354 8.210 0.144 RESID 178 (E): N 122.557 122.557 123.202 -0.645 RESID 178 (E): HA 4.193 4.193 4.544 -0.351 RESID 178 (E): C 176.260 176.260 175.288 0.972 RESID 178 (E): CA 56.307 56.307 55.151 1.156 RESID 178 (E): CB 30.542 30.542 31.395 -0.853 RESID 178 (E): H 8.395 8.395 8.195 0.200 RESID 179 (V): N 122.787 122.787 123.246 -0.459 RESID 179 (V): HA 3.983 3.983 4.060 -0.077 RESID 179 (V): C 175.871 175.871 176.179 -0.308 RESID 179 (V): CA 62.225 62.225 62.683 -0.458 RESID 179 (V): CB 32.459 32.459 32.190 0.269 RESID 179 (V): H 8.232 8.232 8.497 -0.265 RESID 180 (K): N 126.356 126.356 127.860 -1.504 RESID 180 (K): HA 4.315 4.315 4.129 0.186 RESID 180 (K): C 176.090 176.090 176.831 -0.741 RESID 180 (K): CA 55.880 55.880 57.901 -2.021 RESID 180 (K): CB 33.000 33.000 32.941 0.059 RESID 180 (K): H 8.427 8.427 8.557 -0.130 RESID 181 (V): N 122.752 122.752 117.530 5.222 RESID 181 (V): HA 4.043 4.043 4.263 -0.220 RESID 181 (V): C 175.754 175.754 173.759 1.995 RESID 181 (V): CA 61.803 61.803 61.129 0.674 RESID 181 (V): CB 33.155 33.155 34.266 -1.111 RESID 181 (V): H 8.244 8.244 7.523 0.721 RESID 182 (I): N 127.826 127.826 125.464 2.362 RESID 182 (I): C 174.257 174.257 176.663 -2.406 RESID 182 (I): CA 58.244 58.244 59.623 -1.379 RESID 182 (I): CB 38.555 38.555 37.978 0.577 RESID 182 (I): H 8.388 8.388 8.326 0.062 RESID 183 (P): HA 4.330 4.330 4.391 -0.061 RESID 183 (P): C 176.700 176.700 176.532 0.168 RESID 183 (P): CA 63.230 63.230 64.274 -1.044 RESID 183 (P): CB 32.380 32.380 31.800 0.580 RESID 184 (A): N 124.690 124.690 121.790 2.900 RESID 184 (A): HA 4.193 4.193 4.201 -0.008 RESID 184 (A): C 178.758 178.758 178.532 0.226 RESID 184 (A): CA 53.320 53.320 53.583 -0.263 RESID 184 (A): CB 19.340 19.340 19.108 0.232 RESID 184 (A): H 8.485 8.485 7.861 0.624 RESID 185 (G): N 107.324 107.324 105.721 1.603 RESID 185 (G): C 174.758 174.758 173.727 1.031 RESID 185 (G): CA 45.717 45.717 43.956 1.761 RESID 185 (G): H 8.527 8.527 7.431 1.095 RESID 186 (E): N 120.410 120.410 116.179 4.231 RESID 186 (E): HA 4.170 4.170 3.966 0.204 RESID 186 (E): C 177.470 177.470 176.694 0.776 RESID 186 (E): CA 57.890 57.890 58.276 -0.386 RESID 186 (E): CB 30.180 30.180 28.540 1.640 RESID 186 (E): H 8.262 8.262 8.645 -0.383 RESID 187 (L): N 121.652 121.652 118.385 3.267 RESID 187 (L): HA 4.140 4.140 4.189 -0.049 RESID 187 (L): C 178.002 178.002 178.758 -0.756 RESID 187 (L): CA 56.458 56.458 56.765 -0.307 RESID 187 (L): CB 42.056 42.056 42.287 -0.231 RESID 187 (L): H 8.247 8.247 7.811 0.436 RESID 188 (Q): N 119.063 119.063 121.146 -2.083 RESID 188 (Q): HA 4.205 4.205 4.006 0.199 RESID 188 (Q): C 177.544 177.544 178.030 -0.486 RESID 188 (Q): CA 57.584 57.584 59.259 -1.675 RESID 188 (Q): CB 28.421 28.421 28.229 0.192 RESID 188 (Q): H 8.377 8.377 8.370 0.007 RESID 189 (V): N 118.808 118.808 119.198 -0.390 RESID 189 (V): HA 3.680 3.680 3.733 -0.053 RESID 189 (V): C 177.439 177.439 176.645 0.794 RESID 189 (V): CA 65.376 65.376 64.829 0.547 RESID 189 (V): CB 31.970 31.970 31.433 0.537 RESID 189 (V): H 7.872 7.872 8.234 -0.362 RESID 190 (I): N 120.522 120.522 120.315 0.207 RESID 190 (I): HA 3.694 3.694 3.609 0.085 RESID 190 (I): C 177.364 177.364 177.385 -0.021 RESID 190 (I): CA 63.323 63.323 64.529 -1.206 RESID 190 (I): CB 36.643 36.643 37.484 -0.841 RESID 190 (I): H 8.119 8.119 7.782 0.337 RESID 191 (E): N 120.185 120.185 120.076 0.109 RESID 191 (E): HA 4.141 4.141 3.843 0.298 RESID 191 (E): C 179.310 179.310 178.447 0.863 RESID 191 (E): CA 59.756 59.756 60.110 -0.354 RESID 191 (E): CB 29.276 29.276 29.182 0.094 RESID 191 (E): H 8.175 8.175 8.913 -0.738 RESID 192 (K): N 118.771 118.771 120.234 -1.463 RESID 192 (K): HA 4.211 4.211 4.069 0.142 RESID 192 (K): C 178.933 178.933 178.901 0.032 RESID 192 (K): CA 58.020 58.020 59.278 -1.258 RESID 192 (K): CB 31.710 31.710 32.341 -0.631 RESID 192 (K): H 7.720 7.720 7.595 0.125 RESID 193 (V): N 121.979 121.979 119.875 2.104 RESID 193 (V): HA 3.537 3.537 3.652 -0.115 RESID 193 (V): C 176.912 176.912 178.310 -1.398 RESID 193 (V): CA 66.974 66.974 66.903 0.071 RESID 193 (V): CB 31.451 31.451 31.149 0.302 RESID 193 (V): H 8.336 8.336 7.707 0.629 RESID 194 (D): N 121.596 121.596 119.699 1.897 RESID 194 (D): HA 4.396 4.396 4.395 0.001 RESID 194 (D): C 178.097 178.097 178.471 -0.374 RESID 194 (D): CA 57.899 57.899 57.169 0.730 RESID 194 (D): CB 41.740 41.740 40.854 0.886 RESID 194 (D): H 8.588 8.588 8.244 0.344 RESID 195 (A): N 119.998 119.998 122.055 -2.057 RESID 195 (A): HA 4.101 4.101 4.141 -0.040 RESID 195 (A): C 180.638 180.638 179.876 0.762 RESID 195 (A): CA 55.393 55.393 54.934 0.459 RESID 195 (A): CB 17.915 17.915 18.364 -0.449 RESID 195 (A): H 7.834 7.834 7.670 0.164 RESID 196 (A): N 121.520 121.520 121.252 0.268 RESID 196 (A): HA 4.043 4.043 4.068 -0.025 RESID 196 (A): C 178.986 178.986 179.656 -0.670 RESID 196 (A): CA 54.730 54.730 54.637 0.093 RESID 196 (A): CB 19.220 19.220 18.063 1.157 RESID 196 (A): H 8.198 8.198 8.610 -0.412 RESID 197 (F): N 120.035 120.035 118.481 1.554 RESID 197 (F): HA 3.861 3.861 4.320 -0.459 RESID 197 (F): C 176.055 176.055 177.161 -1.106 RESID 197 (F): CA 61.833 61.833 61.393 0.440 RESID 197 (F): CB 39.090 39.090 39.402 -0.312 RESID 197 (F): H 9.092 9.092 7.733 1.359 RESID 198 (K): N 118.265 118.265 119.765 -1.500 RESID 198 (K): HA 3.815 3.815 4.034 -0.219 RESID 198 (K): C 180.112 180.112 178.543 1.569 RESID 198 (K): CA 59.826 59.826 60.045 -0.219 RESID 198 (K): CB 32.347 32.347 32.177 0.170 RESID 198 (K): H 7.863 7.863 8.555 -0.692 RESID 199 (V): N 119.799 119.799 118.079 1.720 RESID 199 (V): HA 3.623 3.623 3.849 -0.226 RESID 199 (V): C 178.666 178.666 177.044 1.622 RESID 199 (V): CA 66.074 66.074 64.993 1.081 RESID 199 (V): CB 31.831 31.831 31.338 0.493 RESID 199 (V): H 7.580 7.580 8.122 -0.542 RESID 200 (A): N 125.339 125.339 121.985 3.354 RESID 200 (A): HA 3.635 3.635 4.157 -0.522 RESID 200 (A): C 178.388 178.388 178.538 -0.150 RESID 200 (A): CA 54.843 54.843 54.202 0.641 RESID 200 (A): CB 18.830 18.830 18.441 0.389 RESID 200 (A): H 8.166 8.166 7.205 0.961 RESID 201 (A): N 120.805 120.805 121.209 -0.404 RESID 201 (A): HA 4.000 4.000 4.046 -0.046 RESID 201 (A): C 180.740 180.740 179.370 1.370 RESID 201 (A): CA 54.550 54.550 54.903 -0.353 RESID 201 (A): CB 18.124 18.124 18.699 -0.575 RESID 201 (A): H 7.386 7.386 7.700 -0.314 RESID 202 (T): N 114.816 114.816 114.094 0.722 RESID 202 (T): HA 4.200 4.200 4.061 0.139 RESID 202 (T): C 175.840 175.840 176.153 -0.313 RESID 202 (T): CA 60.920 60.920 65.609 -4.689 RESID 202 (T): CB 62.070 62.070 68.697 -6.627 RESID 202 (T): H 8.322 8.322 8.189 0.133 RESID 203 (A): N 124.550 124.550 122.966 1.584 RESID 203 (A): HA 3.989 3.989 4.123 -0.134 RESID 203 (A): C 180.575 180.575 177.806 2.769 RESID 203 (A): CA 55.042 55.042 54.322 0.720 RESID 203 (A): CB 17.675 17.675 18.344 -0.669 RESID 203 (A): H 7.592 7.592 7.710 -0.118 RESID 204 (A): N 121.361 121.361 119.031 2.330 RESID 204 (A): HA 4.187 4.187 4.089 0.098 RESID 204 (A): C 179.867 179.867 179.279 0.588 RESID 204 (A): CA 55.224 55.224 53.706 1.518 RESID 204 (A): CB 18.791 18.791 19.189 -0.397 RESID 204 (A): H 8.758 8.758 7.477 1.281 RESID 205 (N): N 115.185 115.185 118.666 -3.481 RESID 205 (N): HA 4.189 4.189 4.298 -0.109 RESID 205 (N): C 175.555 175.555 176.829 -1.274 RESID 205 (N): CA 56.410 56.410 55.270 1.140 RESID 205 (N): CB 39.066 39.066 38.042 1.024 RESID 205 (N): H 8.220 8.220 7.993 0.227 RESID 206 (A): N 117.946 117.946 120.305 -2.359 RESID 206 (A): HA 4.270 4.270 4.237 0.033 RESID 206 (A): C 176.827 176.827 177.329 -0.502 RESID 206 (A): CA 56.138 56.138 52.356 3.782 RESID 206 (A): CB 18.200 18.200 18.913 -0.713 RESID 206 (A): H 6.965 6.965 7.619 -0.654 RESID 207 (A): N 122.916 122.916 122.940 -0.024 RESID 207 (A): HA 4.600 4.600 4.330 0.270 RESID 207 (A): C 174.478 174.478 176.629 -2.151 RESID 207 (A): CA 50.196 50.196 49.860 0.336 RESID 207 (A): CB 18.287 18.287 18.848 -0.561 RESID 207 (A): H 7.240 7.240 7.586 -0.346 RESID 208 (P): HA 4.373 4.373 4.331 0.042 RESID 208 (P): C 177.440 177.440 176.380 1.060 RESID 208 (P): CA 62.600 62.600 62.656 -0.056 RESID 208 (P): CB 32.243 32.243 29.927 2.316 RESID 209 (A): N 122.883 122.883 120.860 2.023 RESID 209 (A): HA 3.726 3.726 3.899 -0.173 RESID 209 (A): C 179.474 179.474 175.931 3.543 RESID 209 (A): CA 56.155 56.155 53.129 3.026 RESID 209 (A): CB 19.099 19.099 17.940 1.159 RESID 209 (A): H 8.620 8.620 7.914 0.706 RESID 210 (N): N 113.093 113.093 116.054 -2.961 RESID 210 (N): HA 4.519 4.519 4.840 -0.321 RESID 210 (N): C 176.000 176.000 174.218 1.782 RESID 210 (N): CA 55.226 55.226 52.846 2.380 RESID 210 (N): CB 38.057 38.057 41.522 -3.465 RESID 210 (N): H 8.933 8.933 7.708 1.225 RESID 211 (D): N 117.648 117.648 118.523 -0.875 RESID 211 (D): HA 5.050 5.050 4.321 0.729 RESID 211 (D): C 175.953 175.953 176.578 -0.625 RESID 211 (D): CA 54.110 54.110 55.799 -1.689 RESID 211 (D): CB 42.936 42.936 40.492 2.443 RESID 211 (D): H 8.111 8.111 8.721 -0.610 RESID 212 (K): N 118.713 118.713 119.372 -0.659 RESID 212 (K): HA 3.324 3.324 3.789 -0.465 RESID 212 (K): C 177.524 177.524 177.667 -0.143 RESID 212 (K): CA 61.984 61.984 59.287 2.697 RESID 212 (K): CB 32.789 32.789 32.103 0.686 RESID 212 (K): H 7.145 7.145 8.560 -1.415 RESID 213 (F): N 113.700 113.700 116.639 -2.939 RESID 213 (F): HA 4.087 4.087 4.253 -0.166 RESID 213 (F): C 178.141 178.141 177.603 0.538 RESID 213 (F): CA 62.473 62.473 62.367 0.106 RESID 213 (F): CB 38.303 38.303 37.772 0.531 RESID 213 (F): H 8.026 8.026 8.400 -0.374 RESID 214 (T): N 115.378 115.378 117.107 -1.729 RESID 214 (T): C 178.124 178.124 177.119 1.005 RESID 214 (T): CA 65.503 65.503 66.923 -1.420 RESID 214 (T): CB 68.803 68.803 68.328 0.475 RESID 214 (T): H 7.917 7.917 8.295 -0.378 RESID 215 (V): N 122.692 122.692 120.820 1.872 RESID 215 (V): HA 3.659 3.659 3.637 0.022 RESID 215 (V): C 177.771 177.771 177.555 0.216 RESID 215 (V): CA 66.361 66.361 66.965 -0.604 RESID 215 (V): CB 31.360 31.360 31.450 -0.089 RESID 215 (V): H 8.430 8.430 8.354 0.076 RESID 216 (F): N 119.847 119.847 121.866 -2.019 RESID 216 (F): HA 3.799 3.799 4.060 -0.261 RESID 216 (F): C 176.989 176.989 177.146 -0.157 RESID 216 (F): CA 62.705 62.705 61.638 1.067 RESID 216 (F): CB 39.327 39.327 38.722 0.605 RESID 216 (F): H 8.651 8.651 7.527 1.124 RESID 217 (E): N 117.144 117.144 118.591 -1.447 RESID 217 (E): HA 3.863 3.863 3.902 -0.039 RESID 217 (E): C 177.894 177.894 179.103 -1.209 RESID 217 (E): CA 61.877 61.877 59.150 2.727 RESID 217 (E): CB 30.062 30.062 29.388 0.674 RESID 217 (E): H 8.650 8.650 8.993 -0.343 RESID 218 (A): N 119.130 119.130 122.597 -3.467 RESID 218 (A): HA 4.213 4.213 4.260 -0.047 RESID 218 (A): C 180.238 180.238 179.270 0.968 RESID 218 (A): CA 55.118 55.118 54.857 0.261 RESID 218 (A): CB 18.020 18.020 18.317 -0.297 RESID 218 (A): H 7.759 7.759 8.038 -0.279 RESID 219 (A): N 119.419 119.419 121.585 -2.166 RESID 219 (A): HA 4.146 4.146 4.001 0.145 RESID 219 (A): C 180.499 180.499 179.608 0.891 RESID 219 (A): CA 54.530 54.530 54.444 0.086 RESID 219 (A): CB 18.890 18.890 18.598 0.292 RESID 219 (A): H 8.475 8.475 8.296 0.179 RESID 220 (F): N 120.754 120.754 118.479 2.275 RESID 220 (F): HA 4.196 4.196 3.864 0.332 RESID 220 (F): C 177.427 177.427 177.093 0.334 RESID 220 (F): CA 58.832 58.832 61.878 -3.046 RESID 220 (F): CB 39.740 39.740 38.341 1.399 RESID 220 (F): H 9.026 9.026 8.675 0.351 RESID 221 (N): N 116.941 116.941 116.347 0.594 RESID 221 (N): HA 4.390 4.390 4.466 -0.076 RESID 221 (N): CA 56.230 56.230 56.106 0.124 RESID 221 (N): CB 37.995 37.995 38.535 -0.540 RESID 221 (N): H 8.485 8.485 7.668 0.817 RESID 222 (D): N 119.493 119.493 120.871 -1.378 RESID 222 (D): HA 4.366 4.366 4.535 -0.169 RESID 222 (D): C 178.832 178.832 177.774 1.058 RESID 222 (D): CA 57.697 57.697 57.013 0.684 RESID 222 (D): CB 40.537 40.537 41.024 -0.487 RESID 222 (D): H 8.283 8.283 8.255 0.028 RESID 223 (A): N 122.201 122.201 122.337 -0.136 RESID 223 (A): HA 4.138 4.138 3.967 0.171 RESID 223 (A): CA 54.892 54.892 55.109 -0.217 RESID 223 (A): CB 18.251 18.251 18.106 0.145 RESID 223 (A): H 8.175 8.175 8.229 -0.054 RESID 224 (I): N 122.960 122.960 117.674 5.286 RESID 224 (I): HA 3.396 3.396 3.499 -0.103 RESID 224 (I): C 178.030 178.030 178.079 -0.049 RESID 224 (I): CA 65.320 65.320 64.910 0.410 RESID 224 (I): CB 38.150 38.150 37.663 0.487 RESID 224 (I): H 8.525 8.525 7.252 1.273 RESID 225 (K): N 124.150 124.150 120.213 3.937 RESID 225 (K): HA 4.130 4.130 4.008 0.122 RESID 225 (K): C 179.190 179.190 178.885 0.305 RESID 225 (K): CA 58.594 58.594 58.873 -0.279 RESID 225 (K): CB 32.489 32.489 32.762 -0.273 RESID 225 (K): H 8.457 8.457 7.316 1.141 RESID 226 (A): N 119.804 119.804 120.684 -0.880 RESID 226 (A): HA 4.128 4.128 4.014 0.114 RESID 226 (A): C 181.843 181.843 179.838 2.005 RESID 226 (A): CA 55.012 55.012 55.032 -0.020 RESID 226 (A): CB 18.473 18.473 18.526 -0.053 RESID 226 (A): H 8.191 8.191 8.677 -0.486 RESID 227 (S): N 113.402 113.402 112.757 0.645 RESID 227 (S): HA 4.350 4.350 4.243 0.107 RESID 227 (S): C 176.071 176.071 175.800 0.271 RESID 227 (S): CA 61.259 61.259 60.830 0.429 RESID 227 (S): CB 63.414 63.414 63.537 -0.123 RESID 227 (S): H 8.568 8.568 7.787 0.781 RESID 228 (T): N 109.170 109.170 112.944 -3.774 RESID 228 (T): HA 4.605 4.605 4.593 0.012 RESID 228 (T): CA 61.453 61.453 59.750 1.703 RESID 228 (T): CB 69.732 69.732 68.335 1.397 RESID 228 (T): H 7.804 7.804 7.517 0.287 RESID 229 (G): N 113.451 113.451 111.195 2.256 RESID 229 (G): C 178.132 178.132 174.774 3.358 RESID 229 (G): CA 47.149 47.149 46.244 0.905 RESID 229 (G): H 7.988 7.988 7.892 0.096 RESID 230 (G): N 105.298 105.298 108.544 -3.246 RESID 230 (G): C 173.856 173.856 173.159 0.697 RESID 230 (G): CA 44.492 44.492 44.485 0.007 RESID 230 (G): H 8.792 8.792 8.305 0.487 RESID 231 (A): N 122.893 122.893 124.129 -1.236 RESID 231 (A): HA 3.777 3.777 4.135 -0.358 RESID 231 (A): C 177.041 177.041 175.463 1.578 RESID 231 (A): CA 54.513 54.513 51.962 2.551 RESID 231 (A): CB 18.998 18.998 19.389 -0.391 RESID 231 (A): H 7.467 7.467 7.456 0.011 RESID 232 (Y): N 112.629 112.629 117.111 -4.482 RESID 232 (Y): HA 4.396 4.396 4.118 0.278 RESID 232 (Y): C 174.659 174.659 174.659 0.000 RESID 232 (Y): CA 55.932 55.932 58.468 -2.536 RESID 232 (Y): CB 39.848 39.848 36.285 3.563 RESID 232 (Y): H 7.332 7.332 8.528 -1.196 RESID 233 (E): N 117.684 117.684 119.008 -1.324 RESID 233 (E): HA 3.790 3.790 4.114 -0.324 RESID 233 (E): C 174.348 174.348 175.708 -1.360 RESID 233 (E): CA 57.064 57.064 57.194 -0.130 RESID 233 (E): CB 30.734 30.734 27.918 2.816 RESID 233 (E): H 7.995 7.995 8.345 -0.350 RESID 234 (S): N 107.099 107.099 115.592 -8.493 RESID 234 (S): HA 4.495 4.495 4.458 0.037 RESID 234 (S): C 175.141 175.141 173.290 1.851 RESID 234 (S): CA 55.872 55.872 58.355 -2.483 RESID 234 (S): CB 64.988 64.988 64.271 0.717 RESID 234 (S): H 7.318 7.318 8.429 -1.111 RESID 235 (Y): N 119.162 119.162 121.936 -2.774 RESID 235 (Y): HA 4.093 4.093 4.680 -0.587 RESID 235 (Y): C 175.305 175.305 174.444 0.861 RESID 235 (Y): CA 59.694 59.694 58.221 1.473 RESID 235 (Y): CB 37.650 37.650 36.200 1.450 RESID 235 (Y): H 8.629 8.629 8.752 -0.123 RESID 236 (K): N 118.163 118.163 122.330 -4.167 RESID 236 (K): HA 3.573 3.573 4.438 -0.865 RESID 236 (K): C 176.427 176.427 176.892 -0.465 RESID 236 (K): CA 58.000 58.000 55.942 2.058 RESID 236 (K): CB 31.520 31.520 34.641 -3.121 RESID 236 (K): H 7.384 7.384 8.627 -1.243 RESID 237 (F): N 115.377 115.377 118.196 -2.819 RESID 237 (F): HA 4.433 4.433 3.961 0.472 RESID 237 (F): C 174.114 174.114 174.912 -0.798 RESID 237 (F): CA 57.852 57.852 59.191 -1.339 RESID 237 (F): CB 39.745 39.745 37.761 1.984 RESID 237 (F): H 7.258 7.258 7.960 -0.702 RESID 238 (I): N 120.764 120.764 119.454 1.310 RESID 238 (I): HA 4.409 4.409 4.208 0.201 RESID 238 (I): CA 58.300 58.300 57.529 0.771 RESID 238 (I): CB 38.600 38.600 38.373 0.226 RESID 238 (I): H 7.389 7.389 6.500 0.889 RESID 239 (P): HA 4.306 4.306 4.224 0.082 RESID 239 (P): C 178.950 178.950 176.964 1.986 RESID 239 (P): CA 66.670 66.670 63.872 2.798 RESID 239 (P): CB 32.190 32.190 31.930 0.260 RESID 240 (A): N 118.854 118.854 118.262 0.592 RESID 240 (A): HA 4.134 4.134 3.930 0.204 RESID 240 (A): CA 55.031 55.031 54.239 0.792 RESID 240 (A): CB 18.841 18.841 17.684 1.157 RESID 240 (A): H 9.101 9.101 8.452 0.649 RESID 241 (L): N 118.846 118.846 121.725 -2.879 RESID 241 (L): HA 4.250 4.250 3.957 0.293 RESID 241 (L): C 177.407 177.407 178.368 -0.961 RESID 241 (L): CA 56.333 56.333 58.806 -2.473 RESID 241 (L): CB 42.390 42.390 41.569 0.821 RESID 241 (L): H 7.731 7.731 7.869 -0.138 RESID 242 (E): N 122.048 122.048 119.740 2.308 RESID 242 (E): HA 3.961 3.961 4.127 -0.166 RESID 242 (E): C 178.465 178.465 178.515 -0.050 RESID 242 (E): CA 60.820 60.820 59.711 1.109 RESID 242 (E): CB 28.886 28.886 28.964 -0.078 RESID 242 (E): H 8.705 8.705 8.905 -0.200 RESID 243 (A): N 118.880 118.880 122.358 -3.478 RESID 243 (A): HA 4.038 4.038 4.355 -0.317 RESID 243 (A): C 179.841 179.841 179.491 0.350 RESID 243 (A): CA 54.930 54.930 53.830 1.100 RESID 243 (A): CB 17.700 17.700 18.395 -0.695 RESID 243 (A): H 8.105 8.105 7.417 0.688 RESID 244 (A): N 121.399 121.399 121.722 -0.323 RESID 244 (A): HA 4.037 4.037 4.058 -0.021 RESID 244 (A): C 179.839 179.839 180.229 -0.390 RESID 244 (A): CA 55.418 55.418 54.958 0.460 RESID 244 (A): H 7.491 7.491 8.558 -1.067 RESID 245 (V): N 120.239 120.239 118.724 1.515 RESID 245 (V): HA 3.382 3.382 3.593 -0.211 RESID 245 (V): C 177.909 177.909 178.084 -0.175 RESID 245 (V): CA 67.163 67.163 66.498 0.665 RESID 245 (V): CB 31.790 31.790 31.035 0.755 RESID 245 (V): H 8.612 8.612 8.769 -0.157 RESID 246 (K): N 119.270 119.270 119.045 0.225 RESID 246 (K): HA 4.165 4.165 4.101 0.064 RESID 246 (K): C 180.603 180.603 178.607 1.996 RESID 246 (K): CA 60.553 60.553 59.285 1.268 RESID 246 (K): CB 31.828 31.828 32.016 -0.188 RESID 246 (K): H 8.366 8.366 7.731 0.635 RESID 247 (Q): N 120.085 120.085 118.091 1.994 RESID 247 (Q): HA 4.055 4.055 4.064 -0.009 RESID 247 (Q): C 178.255 178.255 177.935 0.320 RESID 247 (Q): CA 58.524 58.524 58.276 0.248 RESID 247 (Q): CB 28.234 28.234 28.473 -0.239 RESID 247 (Q): H 8.302 8.302 7.511 0.791 RESID 248 (A): N 125.463 125.463 122.064 3.399 RESID 248 (A): HA 3.877 3.877 3.978 -0.101 RESID 248 (A): C 179.700 179.700 179.481 0.219 RESID 248 (A): CA 55.253 55.253 54.945 0.308 RESID 248 (A): CB 18.658 18.658 17.921 0.737 RESID 248 (A): H 8.194 8.194 7.948 0.246 RESID 249 (Y): N 116.381 116.381 117.180 -0.799 RESID 249 (Y): HA 4.300 4.300 4.633 -0.333 RESID 249 (Y): C 180.993 180.993 177.629 3.364 RESID 249 (Y): CA 63.361 63.361 59.026 4.335 RESID 249 (Y): CB 38.068 38.068 37.880 0.188 RESID 249 (Y): H 8.686 8.686 7.562 1.124 RESID 250 (A): N 124.956 124.956 121.225 3.731 RESID 250 (A): HA 4.161 4.161 4.385 -0.224 RESID 250 (A): C 179.621 179.621 177.915 1.706 RESID 250 (A): CA 55.220 55.220 53.214 2.006 RESID 250 (A): CB 17.500 17.500 18.781 -1.281 RESID 250 (A): H 8.448 8.448 8.049 0.399 RESID 251 (A): N 119.409 119.409 121.334 -1.925 RESID 251 (A): HA 4.163 4.163 4.393 -0.230 RESID 251 (A): C 178.588 178.588 178.214 0.374 RESID 251 (A): CA 55.206 55.206 53.571 1.635 RESID 251 (A): CB 17.804 17.804 20.271 -2.467 RESID 251 (A): H 7.649 7.649 8.195 -0.546 RESID 252 (T): N 106.194 106.194 111.632 -5.438 RESID 252 (T): HA 4.392 4.392 4.184 0.208 RESID 252 (T): C 176.679 176.679 174.616 2.063 RESID 252 (T): CA 62.376 62.376 63.659 -1.283 RESID 252 (T): CB 70.838 70.838 67.537 3.301 RESID 252 (T): H 7.806 7.806 8.052 -0.246 RESID 253 (V): N 121.805 121.805 119.487 2.318 RESID 253 (V): HA 3.754 3.754 4.157 -0.403 RESID 253 (V): C 176.213 176.213 174.749 1.464 RESID 253 (V): CA 65.339 65.339 62.812 2.526 RESID 253 (V): CB 31.971 31.971 34.034 -2.063 RESID 253 (V): H 7.173 7.173 8.091 -0.918 RESID 254 (A): N 122.834 122.834 123.656 -0.822 RESID 254 (A): HA 4.457 4.457 4.649 -0.192 RESID 254 (A): C 177.007 177.007 176.202 0.805 RESID 254 (A): CA 51.859 51.859 51.864 -0.005 RESID 254 (A): CB 18.494 18.494 19.380 -0.886 RESID 254 (A): H 8.542 8.542 7.495 1.047 RESID 255 (T): N 114.241 114.241 115.825 -1.584 RESID 255 (T): HA 4.222 4.222 4.410 -0.188 RESID 255 (T): C 173.687 173.687 174.036 -0.349 RESID 255 (T): CA 62.138 62.138 61.240 0.898 RESID 255 (T): CB 70.584 70.584 71.744 -1.160 RESID 255 (T): H 7.469 7.469 7.754 -0.285 RESID 256 (A): N 128.290 128.290 126.078 2.212 RESID 256 (A): HA 4.515 4.515 4.346 0.169 RESID 256 (A): C 176.782 176.782 176.605 0.177 RESID 256 (A): CA 51.165 51.165 51.383 -0.218 RESID 256 (A): CB 17.596 17.596 18.427 -0.831 RESID 256 (A): H 8.625 8.625 8.344 0.281 RESID 257 (P): HA 4.089 4.089 4.460 -0.371 RESID 257 (P): C 178.670 178.670 175.678 2.992 RESID 257 (P): CA 66.250 66.250 63.346 2.904 RESID 257 (P): CB 32.400 32.400 30.014 2.386 RESID 258 (E): N 115.538 115.538 122.378 -6.840 RESID 258 (E): HA 4.205 4.205 4.416 -0.211 RESID 258 (E): C 177.484 177.484 176.488 0.996 RESID 258 (E): CA 59.489 59.489 57.160 2.329 RESID 258 (E): CB 28.896 28.896 31.434 -2.538 RESID 258 (E): H 9.711 9.711 8.427 1.284 RESID 259 (V): N 113.043 113.043 115.904 -2.861 RESID 259 (V): HA 4.641 4.641 4.569 0.072 RESID 259 (V): C 175.536 175.536 176.301 -0.765 RESID 259 (V): CA 61.065 61.065 61.296 -0.231 RESID 259 (V): CB 32.652 32.652 31.828 0.824 RESID 259 (V): H 7.765 7.765 7.678 0.087 RESID 260 (K): N 121.849 121.849 122.989 -1.140 RESID 260 (K): HA 3.769 3.769 3.874 -0.105 RESID 260 (K): C 177.750 177.750 177.534 0.216 RESID 260 (K): CA 61.507 61.507 59.480 2.027 RESID 260 (K): CB 34.189 34.189 32.164 2.025 RESID 260 (K): H 7.415 7.415 8.484 -1.069 RESID 261 (Y): N 117.222 117.222 115.949 1.273 RESID 261 (Y): HA 3.803 3.803 4.454 -0.651 RESID 261 (Y): C 176.020 176.020 178.254 -2.234 RESID 261 (Y): CA 62.761 62.761 61.484 1.277 RESID 261 (Y): CB 36.982 36.982 37.860 -0.878 RESID 261 (Y): H 8.942 8.942 8.192 0.750 RESID 262 (T): N 115.869 115.869 117.659 -1.790 RESID 262 (T): HA 4.136 4.136 4.000 0.136 RESID 262 (T): C 177.136 177.136 176.603 0.533 RESID 262 (T): CA 68.855 68.855 66.625 2.230 RESID 262 (T): CB 66.818 66.818 68.460 -1.642 RESID 262 (T): H 7.822 7.822 8.235 -0.413 RESID 263 (V): N 123.471 123.471 121.776 1.695 RESID 263 (V): HA 3.507 3.507 3.808 -0.301 RESID 263 (V): C 178.020 178.020 178.013 0.007 RESID 263 (V): CA 67.000 67.000 66.673 0.327 RESID 263 (V): CB 31.699 31.699 31.374 0.325 RESID 263 (V): H 8.051 8.051 8.475 -0.424 RESID 264 (F): N 123.178 123.178 120.305 2.873 RESID 264 (F): HA 3.812 3.812 4.006 -0.194 RESID 264 (F): C 175.217 175.217 177.393 -2.176 RESID 264 (F): CA 60.720 60.720 61.648 -0.928 RESID 264 (F): CB 39.637 39.637 38.968 0.669 RESID 264 (F): H 8.047 8.047 7.529 0.518 RESID 265 (E): N 120.524 120.524 118.230 2.294 RESID 265 (E): HA 2.959 2.959 3.980 -1.021 RESID 265 (E): C 178.300 178.300 179.168 -0.868 RESID 265 (E): CA 59.854 59.854 59.575 0.279 RESID 265 (E): CB 30.318 30.318 29.938 0.380 RESID 265 (E): H 8.830 8.830 8.574 0.256 RESID 266 (T): N 114.371 114.371 113.602 0.769 RESID 266 (T): HA 3.694 3.694 4.018 -0.324 RESID 266 (T): C 176.020 176.020 176.443 -0.423 RESID 266 (T): CA 66.645 66.645 65.867 0.778 RESID 266 (T): CB 68.704 68.704 68.710 -0.006 RESID 266 (T): H 7.978 7.978 8.554 -0.576 RESID 267 (A): N 124.070 124.070 124.543 -0.473 RESID 267 (A): HA 3.899 3.899 4.014 -0.115 RESID 267 (A): C 180.615 180.615 179.629 0.986 RESID 267 (A): CA 54.950 54.950 55.117 -0.167 RESID 267 (A): CB 17.668 17.668 18.002 -0.334 RESID 267 (A): H 7.908 7.908 8.536 -0.628 RESID 268 (L): N 121.494 121.494 118.917 2.577 RESID 268 (L): HA 3.716 3.716 3.780 -0.064 RESID 268 (L): C 177.403 177.403 178.733 -1.330 RESID 268 (L): CA 57.095 57.095 57.852 -0.757 RESID 268 (L): CB 35.715 35.715 40.511 -4.796 RESID 268 (L): H 8.499 8.499 7.406 1.093 RESID 269 (K): N 118.900 118.900 119.402 -0.502 RESID 269 (K): HA 2.946 2.946 3.594 -0.648 RESID 269 (K): C 179.440 179.440 178.715 0.725 RESID 269 (K): CA 59.500 59.500 59.746 -0.246 RESID 269 (K): CB 31.880 31.880 32.155 -0.275 RESID 269 (K): H 7.678 7.678 7.416 0.262 RESID 270 (K): N 118.900 118.900 119.001 -0.101 RESID 270 (K): HA 3.814 3.814 3.967 -0.153 RESID 270 (K): C 178.960 178.960 178.549 0.411 RESID 270 (K): CA 59.770 59.770 58.976 0.794 RESID 270 (K): CB 32.330 32.330 32.093 0.237 RESID 270 (K): H 7.678 7.678 8.145 -0.467 RESID 271 (A): N 122.628 122.628 121.630 0.998 RESID 271 (A): HA 4.078 4.078 4.059 0.019 RESID 271 (A): C 180.707 180.707 179.945 0.762 RESID 271 (A): CA 54.835 54.835 54.992 -0.157 RESID 271 (A): CB 18.694 18.694 18.170 0.524 RESID 271 (A): H 7.699 7.699 8.284 -0.585 RESID 272 (I): N 120.190 120.190 117.746 2.444 RESID 272 (I): HA 3.616 3.616 3.604 0.012 RESID 272 (I): C 178.458 178.458 177.996 0.462 RESID 272 (I): CA 65.296 65.296 64.771 0.525 RESID 272 (I): CB 37.724 37.724 37.791 -0.067 RESID 272 (I): H 8.519 8.519 8.329 0.190 RESID 273 (T): N 118.748 118.748 116.067 2.681 RESID 273 (T): HA 4.227 4.227 3.921 0.306 RESID 273 (T): C 176.122 176.122 176.762 -0.640 RESID 273 (T): CA 68.686 68.686 66.294 2.392 RESID 273 (T): CB 67.031 67.031 68.323 -1.292 RESID 273 (T): H 8.329 8.329 7.748 0.581 RESID 274 (A): N 122.829 122.829 125.069 -2.240 RESID 274 (A): HA 4.120 4.120 4.028 0.092 RESID 274 (A): C 180.580 180.580 179.532 1.048 RESID 274 (A): CA 55.013 55.013 54.950 0.063 RESID 274 (A): CB 17.770 17.770 18.082 -0.312 RESID 274 (A): H 7.841 7.841 8.011 -0.170 RESID 275 (M): N 118.352 118.352 116.210 2.142 RESID 275 (M): HA 4.082 4.082 4.206 -0.124 RESID 275 (M): C 178.226 178.226 178.360 -0.134 RESID 275 (M): CA 59.240 59.240 57.021 2.219 RESID 275 (M): CB 33.624 33.624 32.295 1.329 RESID 275 (M): H 7.886 7.886 7.971 -0.085 RESID 276 (S): N 115.242 115.242 115.530 -0.288 RESID 276 (S): HA 4.100 4.100 4.404 -0.304 RESID 276 (S): C 176.687 176.687 176.450 0.237 RESID 276 (S): CA 60.920 60.920 61.187 -0.267 RESID 276 (S): CB 62.763 62.763 63.031 -0.268 RESID 276 (S): H 8.154 8.154 8.258 -0.104 RESID 277 (E): N 120.950 120.950 121.247 -0.297 RESID 277 (E): HA 3.990 3.990 3.995 -0.005 RESID 277 (E): C 178.562 178.562 177.728 0.834 RESID 277 (E): CA 58.426 58.426 58.596 -0.170 RESID 277 (E): CB 29.510 29.510 29.358 0.152 RESID 277 (E): H 8.336 8.336 7.811 0.525 RESID 278 (A): N 121.655 121.655 121.495 0.160 RESID 278 (A): HA 4.137 4.137 4.270 -0.133 RESID 278 (A): C 179.412 179.412 178.910 0.502 RESID 278 (A): CA 54.163 54.163 54.436 -0.273 RESID 278 (A): CB 18.234 18.234 18.584 -0.350 RESID 278 (A): H 7.943 7.943 7.190 0.753 RESID 279 (Q): N 116.951 116.951 115.938 1.013 RESID 279 (Q): HA 4.138 4.138 4.034 0.104 RESID 279 (Q): C 177.164 177.164 178.229 -1.065 RESID 279 (Q): CA 56.987 56.987 58.258 -1.271 RESID 279 (Q): CB 28.602 28.602 28.603 -0.001 RESID 279 (Q): H 7.791 7.791 7.704 0.087 RESID 280 (K): N 119.993 119.993 119.615 0.378 RESID 280 (K): HA 4.089 4.089 4.110 -0.021 RESID 280 (K): C 176.909 176.909 176.182 0.727 RESID 280 (K): CA 57.700 57.700 57.469 0.231 RESID 280 (K): CB 32.860 32.860 32.979 -0.119 RESID 280 (K): H 7.863 7.863 7.496 0.367 RESID 281 (A): N 122.367 122.367 118.397 3.970 RESID 281 (A): HA 4.206 4.206 4.556 -0.350 RESID 281 (A): C 177.375 177.375 175.381 1.994 RESID 281 (A): CA 52.474 52.474 51.981 0.493 RESID 281 (A): CB 19.140 19.140 21.263 -2.123 RESID 281 (A): H 7.841 7.841 7.481 0.360 RESID 282 (A): N 122.465 122.465 125.007 -2.542 RESID 282 (A): HA 4.211 4.211 4.283 -0.072 RESID 282 (A): C 177.333 177.333 177.413 -0.080 RESID 282 (A): CA 52.413 52.413 51.951 0.462 RESID 282 (A): CB 19.016 19.016 18.869 0.147 RESID 282 (A): H 7.891 7.891 8.511 -0.620 RESID 283 (K): N 121.934 121.934 118.242 3.692 RESID 283 (K): HA 4.560 4.560 4.117 0.443 RESID 283 (K): C 181.141 181.141 174.263 6.878 RESID 283 (K): CA 54.069 54.069 55.888 -1.819 RESID 283 (K): CB 32.644 32.644 31.672 0.972 RESID 283 (K): H 8.140 8.140 8.156 -0.016 RESID 284 (P): HA 4.331 4.331 4.484 -0.153 RESID 284 (P): C 172.250 172.250 177.145 -4.895 RESID 284 (P): CA 63.500 63.500 62.795 0.705 RESID 284 (P): CB 32.160 32.160 32.297 -0.137 N HA C CA CB H RESID 57 (G): 2.632 ----- -1.383 -0.577 ----- 0.152 RESID 58 (K): 1.904 -0.245 0.764 0.029 -0.452 0.561 RESID 59 (A): -0.796 -0.152 0.119 -0.320 0.483 0.197 RESID 60 (T): 3.827 0.068 1.146 0.614 0.134 0.567 RESID 61 (T): 4.941 -0.133 0.550 1.812 -1.189 0.238 RESID 62 (E): -0.288 -0.110 0.631 -0.585 0.193 0.045 RESID 63 (E): 0.069 -0.319 -1.411 1.178 0.101 0.244 RESID 64 (Q): 0.551 -0.195 0.866 0.018 -0.277 0.201 RESID 65 (K): 0.287 -0.187 -0.493 0.761 -0.172 0.132 RESID 66 (L): -1.396 -0.035 -0.126 0.714 -0.998 -0.594 RESID 67 (I): 0.523 0.159 1.070 -0.756 -1.262 -0.430 RESID 68 (E): 4.026 -0.083 2.985 1.748 -0.176 0.501 RESID 69 (K): 0.391 -0.102 1.860 1.325 0.325 -0.124 RESID 70 (I): 3.533 0.089 2.277 -0.035 -1.721 0.477 RESID 71 (N): 2.447 0.324 1.417 -0.389 0.746 0.788 RESID 72 (A): 0.965 0.098 1.484 0.468 -0.491 0.687 RESID 73 (G): 2.862 ----- -1.462 0.196 ----- 0.818 RESID 74 (F): 3.133 -0.247 -0.523 2.932 1.026 0.614 RESID 75 (K): -1.775 0.072 0.770 0.012 0.312 -0.801 RESID 76 (A): 1.845 0.036 1.166 -0.333 -0.458 0.421 RESID 77 (A): 3.536 -0.375 -0.718 0.922 -0.248 1.203 RESID 78 (L): 1.993 0.366 0.551 0.506 1.210 -0.164 RESID 79 (A): -0.110 0.020 1.143 -0.191 -0.412 -0.930 RESID 80 (A): 2.457 -0.126 3.186 0.882 0.305 0.808 RESID 81 (A): -1.173 -0.080 0.496 0.052 -0.628 1.050 RESID 82 (A): 0.142 -0.515 1.227 3.052 -2.139 0.480 RESID 83 (G): 20.619 ----- -0.719 -0.148 ----- -1.218 RESID 84 (V): -5.300 0.429 -0.274 -1.887 1.613 -0.410 RESID 85 (Q): 0.479 -0.070 ----- -0.335 -1.354 0.339 RESID 86 (P): ----- 0.159 ----- -2.198 0.630 ----- RESID 87 (A): -0.073 -0.277 1.020 3.243 -1.363 1.618 RESID 88 (D): -0.153 0.637 0.427 -1.834 3.538 -0.597 RESID 89 (K): 6.991 -0.826 -0.792 3.550 -0.257 -0.581 RESID 90 (Y): -2.944 -0.558 -1.665 1.660 -1.000 0.888 RESID 91 (R): 0.054 -0.302 0.760 -0.966 -0.867 0.235 RESID 92 (T): 1.391 -0.177 0.050 1.455 -0.089 0.311 RESID 93 (F): 2.316 -0.372 0.290 0.888 0.610 1.472 RESID 94 (V): 0.805 -0.330 1.882 1.662 0.106 0.895 RESID 95 (A): 0.186 -0.150 1.277 0.015 -0.518 -0.347 RESID 96 (T): -0.866 0.100 0.478 2.675 -2.057 -0.492 RESID 97 (F): 0.955 -0.197 0.547 1.062 1.058 1.292 RESID 98 (G): 0.633 ----- 0.739 -0.010 ----- 0.615 RESID 99 (A): -1.438 0.085 1.065 0.386 -0.467 0.064 RESID 100 (A): 0.433 0.330 1.706 -0.405 -0.533 1.047 RESID 101 (S): 3.481 0.566 0.714 7.673 4.706 -0.117 RESID 102 (N): ----- -0.070 ----- 0.286 -0.178 ----- RESID 103 (K): -1.137 0.069 -0.574 -0.012 0.173 -0.219 RESID 104 (A): -0.425 -0.079 0.032 -0.153 0.031 0.508 RESID 105 (F): -0.171 0.002 0.830 1.006 0.581 0.759 RESID 106 (A): 3.518 -0.064 ----- 0.252 -0.058 -0.214 RESID 107 (E): -0.125 -0.275 0.041 0.937 -0.309 0.228 RESID 108 (G): -0.063 ----- 1.038 1.116 ----- -0.163 RESID 109 (L): -0.553 0.082 1.861 -0.706 0.781 0.165 RESID 110 (S): -6.063 -0.348 1.030 1.494 -2.430 0.021 RESID 111 (G): 1.966 ----- 0.146 -0.439 ----- -0.108 RESID 112 (E): 2.016 0.316 ----- -1.591 0.607 -0.473 RESID 113 (P): ----- 0.068 ----- -0.468 0.028 ----- RESID 114 (K): 3.804 0.099 -0.152 -0.916 0.602 0.575 RESID 115 (G): 3.305 ----- -0.080 1.283 ----- 0.925 RESID 116 (A): -0.909 0.150 0.358 -0.351 0.910 -0.245 RESID 117 (A): 2.889 -0.053 1.809 0.815 -0.136 0.465 RESID 118 (E): -0.523 -0.172 0.750 0.140 -1.044 -0.384 RESID 119 (S): 4.672 -0.062 -0.553 -0.247 -0.250 0.210 RESID 120 (S): -0.258 0.162 -0.144 -1.864 0.683 -0.063 RESID 121 (S): 2.493 0.019 0.243 -1.329 -0.268 0.126 RESID 122 (K): 3.133 -0.531 ----- 1.077 -0.188 0.868 RESID 123 (A): -0.057 -0.074 ----- -0.647 0.040 -0.333 RESID 124 (A): 0.506 0.031 ----- -0.463 0.108 0.460 RESID 125 (L): 1.851 -0.039 -0.068 0.006 -0.560 0.179 RESID 126 (T): 0.523 -0.066 -0.439 1.674 -1.666 0.198 RESID 127 (S): -1.695 0.124 0.881 -0.963 -0.214 -0.914 RESID 128 (K): 0.975 -0.025 1.129 0.691 0.247 0.219 RESID 129 (L): 0.693 -0.498 -2.344 -0.318 -0.769 0.406 RESID 130 (D): -1.416 -0.552 0.353 0.665 0.676 -0.659 RESID 131 (A): -3.534 -0.100 0.805 -0.268 -0.453 -0.379 RESID 132 (A): 2.476 -0.048 -0.086 -0.129 -0.054 -0.360 RESID 133 (Y): -1.119 -0.016 2.322 -4.337 -2.625 0.845 RESID 134 (K): 1.820 -0.030 -0.183 1.322 0.163 -0.367 RESID 135 (L): 1.466 0.068 1.959 0.138 0.288 -0.251 RESID 136 (A): 3.419 -0.361 -1.129 0.998 -0.673 -0.022 RESID 137 (Y): -1.746 1.239 0.122 1.581 0.441 0.084 RESID 138 (K): 0.603 0.151 0.839 -0.323 -0.002 0.414 RESID 139 (T): 1.335 0.174 0.708 2.510 -1.491 0.581 RESID 140 (A): 1.883 -0.091 0.726 0.313 1.587 1.107 RESID 141 (E): 0.474 -0.251 -0.146 0.640 0.069 0.966 RESID 142 (G): -2.043 ----- -0.837 0.162 ----- -0.012 RESID 143 (A): 1.231 0.254 0.475 -1.788 0.753 -0.525 RESID 144 (T): -4.780 0.101 -0.659 1.004 -1.939 -0.039 RESID 145 (P): ----- -0.374 2.620 2.774 0.997 ----- RESID 146 (E): -2.559 0.025 0.009 1.266 -1.712 1.781 RESID 147 (A): 4.424 0.180 1.311 -0.497 1.975 0.095 RESID 148 (K): -0.240 -0.539 0.052 2.089 0.740 -0.841 RESID 149 (Y): -2.263 -0.325 -1.716 0.627 -0.599 0.695 RESID 150 (D): -1.277 -0.534 0.551 -0.056 0.187 -0.163 RESID 152 (Y): ----- -0.287 -0.424 2.640 1.383 ----- RESID 153 (V): -1.867 0.066 1.330 0.689 0.379 0.371 RESID 154 (A): 0.611 0.009 -2.336 -0.056 0.118 0.199 RESID 155 (T): -2.280 -0.132 0.300 -0.713 0.010 -0.364 RESID 156 (L): -0.448 0.040 ----- -0.505 0.918 1.056 RESID 157 (S): -2.702 -0.020 0.778 0.393 -1.256 0.995 RESID 158 (E): -0.317 0.091 -1.010 -0.641 -0.458 -0.252 RESID 159 (A): -1.654 -0.012 0.952 0.164 0.034 0.008 RESID 160 (L): -2.518 -0.287 0.528 0.613 -0.883 -0.132 RESID 161 (R): 2.290 -0.222 0.600 1.570 0.218 -0.202 RESID 162 (I): -0.618 -0.090 2.805 0.062 -0.142 -0.409 RESID 163 (I): ----- -0.194 ----- 0.998 0.592 ----- RESID 164 (A): 0.972 -0.176 1.415 0.852 -0.152 0.892 RESID 165 (G): 0.359 ----- -0.246 0.782 ----- 0.123 RESID 166 (T): -2.237 -0.103 -0.576 -0.595 0.590 -0.028 RESID 167 (L): 0.546 -0.199 0.910 0.418 0.055 -0.031 RESID 168 (E): 0.584 -0.001 -1.213 -0.291 0.251 0.321 RESID 169 (V): -5.860 0.198 -0.446 -8.316 ----- -0.345 RESID 170 (H): 6.703 0.306 -0.491 -0.369 0.317 0.275 RESID 171 (A): 1.409 -0.026 0.379 -0.548 -1.428 0.288 RESID 172 (V): 1.856 0.067 1.191 -1.708 0.682 0.330 RESID 173 (K): 0.953 ----- -0.519 -0.030 -0.548 0.279 RESID 174 (P): ----- -0.031 ----- -0.171 0.155 ----- RESID 175 (A): 0.000 0.049 0.748 1.073 1.211 0.086 RESID 176 (A): 0.303 0.043 -0.003 0.465 0.441 0.237 RESID 177 (E): 1.043 -0.114 1.375 -0.500 1.245 0.144 RESID 178 (E): -0.645 -0.351 0.972 1.156 -0.853 0.200 RESID 179 (V): -0.459 -0.077 -0.308 -0.458 0.269 -0.265 RESID 180 (K): -1.504 0.186 -0.741 -2.021 0.059 -0.130 RESID 181 (V): 5.222 -0.220 1.995 0.674 -1.111 0.721 RESID 182 (I): 2.362 ----- -2.406 -1.379 0.577 0.062 RESID 183 (P): ----- -0.061 0.168 -1.044 0.580 ----- RESID 184 (A): 2.900 -0.008 0.226 -0.263 0.232 0.624 RESID 185 (G): 1.603 ----- 1.031 1.761 ----- 1.095 RESID 186 (E): 4.231 0.204 0.776 -0.386 1.640 -0.383 RESID 187 (L): 3.267 -0.049 -0.756 -0.307 -0.231 0.436 RESID 188 (Q): -2.083 0.199 -0.486 -1.675 0.192 0.007 RESID 189 (V): -0.390 -0.053 0.794 0.547 0.537 -0.362 RESID 190 (I): 0.207 0.085 -0.021 -1.206 -0.841 0.337 RESID 191 (E): 0.109 0.298 0.863 -0.354 0.094 -0.738 RESID 192 (K): -1.463 0.142 0.032 -1.258 -0.631 0.125 RESID 193 (V): 2.104 -0.115 -1.398 0.071 0.302 0.629 RESID 194 (D): 1.897 0.001 -0.374 0.730 0.886 0.344 RESID 195 (A): -2.057 -0.040 0.762 0.459 -0.449 0.164 RESID 196 (A): 0.268 -0.025 -0.670 0.093 1.157 -0.412 RESID 197 (F): 1.554 -0.459 -1.106 0.440 -0.312 1.359 RESID 198 (K): -1.500 -0.219 1.569 -0.219 0.170 -0.692 RESID 199 (V): 1.720 -0.226 1.622 1.081 0.493 -0.542 RESID 200 (A): 3.354 -0.522 -0.150 0.641 0.389 0.961 RESID 201 (A): -0.404 -0.046 1.370 -0.353 -0.575 -0.314 RESID 202 (T): 0.722 0.139 -0.313 -4.689 -6.627 0.133 RESID 203 (A): 1.584 -0.134 2.769 0.720 -0.669 -0.118 RESID 204 (A): 2.330 0.098 0.588 1.518 -0.397 1.281 RESID 205 (N): -3.481 -0.109 -1.274 1.140 1.024 0.227 RESID 206 (A): -2.359 0.033 -0.502 3.782 -0.713 -0.654 RESID 207 (A): -0.024 0.270 -2.151 0.336 -0.561 -0.346 RESID 208 (P): ----- 0.042 1.060 -0.056 2.316 ----- RESID 209 (A): 2.023 -0.173 3.543 3.026 1.159 0.706 RESID 210 (N): -2.961 -0.321 1.782 2.380 -3.465 1.225 RESID 211 (D): -0.875 0.729 -0.625 -1.689 2.443 -0.610 RESID 212 (K): -0.659 -0.465 -0.143 2.697 0.686 -1.415 RESID 213 (F): -2.939 -0.166 0.538 0.106 0.531 -0.374 RESID 214 (T): -1.729 ----- 1.005 -1.420 0.475 -0.378 RESID 215 (V): 1.872 0.022 0.216 -0.604 -0.089 0.076 RESID 216 (F): -2.019 -0.261 -0.157 1.067 0.605 1.124 RESID 217 (E): -1.447 -0.039 -1.209 2.727 0.674 -0.343 RESID 218 (A): -3.467 -0.047 0.968 0.261 -0.297 -0.279 RESID 219 (A): -2.166 0.145 0.891 0.086 0.292 0.179 RESID 220 (F): 2.275 0.332 0.334 -3.046 1.399 0.351 RESID 221 (N): 0.594 -0.076 ----- 0.124 -0.540 0.817 RESID 222 (D): -1.378 -0.169 1.058 0.684 -0.487 0.028 RESID 223 (A): -0.136 0.171 ----- -0.217 0.145 -0.054 RESID 224 (I): 5.286 -0.103 -0.049 0.410 0.487 1.273 RESID 225 (K): 3.937 0.122 0.305 -0.279 -0.273 1.141 RESID 226 (A): -0.880 0.114 2.005 -0.020 -0.053 -0.486 RESID 227 (S): 0.645 0.107 0.271 0.429 -0.123 0.781 RESID 228 (T): -3.774 0.012 ----- 1.703 1.397 0.287 RESID 229 (G): 2.256 ----- 3.358 0.905 ----- 0.096 RESID 230 (G): -3.246 ----- 0.697 0.007 ----- 0.487 RESID 231 (A): -1.236 -0.358 1.578 2.551 -0.391 0.011 RESID 232 (Y): -4.482 0.278 0.000 -2.536 3.563 -1.196 RESID 233 (E): -1.324 -0.324 -1.360 -0.130 2.816 -0.350 RESID 234 (S): -8.493 0.037 1.851 -2.483 0.717 -1.111 RESID 235 (Y): -2.774 -0.587 0.861 1.473 1.450 -0.123 RESID 236 (K): -4.167 -0.865 -0.465 2.058 -3.121 -1.243 RESID 237 (F): -2.819 0.472 -0.798 -1.339 1.984 -0.702 RESID 238 (I): 1.310 0.201 ----- 0.771 0.226 0.889 RESID 239 (P): ----- 0.082 1.986 2.798 0.260 ----- RESID 240 (A): 0.592 0.204 ----- 0.792 1.157 0.649 RESID 241 (L): -2.879 0.293 -0.961 -2.473 0.821 -0.138 RESID 242 (E): 2.308 -0.166 -0.050 1.109 -0.078 -0.200 RESID 243 (A): -3.478 -0.317 0.350 1.100 -0.695 0.688 RESID 244 (A): -0.323 -0.021 -0.390 0.460 ----- -1.067 RESID 245 (V): 1.515 -0.211 -0.175 0.665 0.755 -0.157 RESID 246 (K): 0.225 0.064 1.996 1.268 -0.188 0.635 RESID 247 (Q): 1.994 -0.009 0.320 0.248 -0.239 0.791 RESID 248 (A): 3.399 -0.101 0.219 0.308 0.737 0.246 RESID 249 (Y): -0.799 -0.333 3.364 4.335 0.188 1.124 RESID 250 (A): 3.731 -0.224 1.706 2.006 -1.281 0.399 RESID 251 (A): -1.925 -0.230 0.374 1.635 -2.467 -0.546 RESID 252 (T): -5.438 0.208 2.063 -1.283 3.301 -0.246 RESID 253 (V): 2.318 -0.403 1.464 2.526 -2.063 -0.918 RESID 254 (A): -0.822 -0.192 0.805 -0.005 -0.886 1.047 RESID 255 (T): -1.584 -0.188 -0.349 0.898 -1.160 -0.285 RESID 256 (A): 2.212 0.169 0.177 -0.218 -0.831 0.281 RESID 257 (P): ----- -0.371 2.992 2.904 2.386 ----- RESID 258 (E): -6.840 -0.211 0.996 2.329 -2.538 1.284 RESID 259 (V): -2.861 0.072 -0.765 -0.231 0.824 0.087 RESID 260 (K): -1.140 -0.105 0.216 2.027 2.025 -1.069 RESID 261 (Y): 1.273 -0.651 -2.234 1.277 -0.878 0.750 RESID 262 (T): -1.790 0.136 0.533 2.230 -1.642 -0.413 RESID 263 (V): 1.695 -0.301 0.007 0.327 0.325 -0.424 RESID 264 (F): 2.873 -0.194 -2.176 -0.928 0.669 0.518 RESID 265 (E): 2.294 -1.021 -0.868 0.279 0.380 0.256 RESID 266 (T): 0.769 -0.324 -0.423 0.778 -0.006 -0.576 RESID 267 (A): -0.473 -0.115 0.986 -0.167 -0.334 -0.628 RESID 268 (L): 2.577 -0.064 -1.330 -0.757 -4.796 1.093 RESID 269 (K): -0.502 -0.648 0.725 -0.246 -0.275 0.262 RESID 270 (K): -0.101 -0.153 0.411 0.794 0.237 -0.467 RESID 271 (A): 0.998 0.019 0.762 -0.157 0.524 -0.585 RESID 272 (I): 2.444 0.012 0.462 0.525 -0.067 0.190 RESID 273 (T): 2.681 0.306 -0.640 2.392 -1.292 0.581 RESID 274 (A): -2.240 0.092 1.048 0.063 -0.312 -0.170 RESID 275 (M): 2.142 -0.124 -0.134 2.219 1.329 -0.085 RESID 276 (S): -0.288 -0.304 0.237 -0.267 -0.268 -0.104 RESID 277 (E): -0.297 -0.005 0.834 -0.170 0.152 0.525 RESID 278 (A): 0.160 -0.133 0.502 -0.273 -0.350 0.753 RESID 279 (Q): 1.013 0.104 -1.065 -1.271 -0.001 0.087 RESID 280 (K): 0.378 -0.021 0.727 0.231 -0.119 0.367 RESID 281 (A): 3.970 -0.350 1.994 0.493 -2.123 0.360 RESID 282 (A): -2.542 -0.072 -0.080 0.462 0.147 -0.620 RESID 283 (K): 3.692 0.443 6.878 -1.819 0.972 -0.016 RESID 284 (P): ----- -0.153 -4.895 0.705 -0.137 ----- DATA CS_STAT_INFO N RMS: 2.808 ppm Count: 216 Average Difference: -0.360 +/- 2.791 ppm DATA CS_STAT_INFO HA RMS: 0.275 ppm Count: 233 Average Difference: 0.061 +/- 0.269 ppm DATA CS_STAT_INFO C RMS: 1.314 ppm Count: 211 Average Difference: -0.399 +/- 1.255 ppm DATA CS_STAT_INFO CA RMS: 1.547 ppm Count: 228 Average Difference: -0.331 +/- 1.514 ppm DATA CS_STAT_INFO CB RMS: 1.238 ppm Count: 214 Average Difference: 0.007 +/- 1.241 ppm DATA CS_STAT_INFO HN RMS: 0.618 ppm Count: 216 Average Difference: -0.145 +/- 0.602 ppm ############################################################################ For conformer 2: Atom Original Corrected SPARTA Difference RESID 56 (A): N 123.960 123.960 125.340 -1.380 RESID 56 (A): HA 4.219 4.219 4.434 -0.215 RESID 56 (A): C 177.886 177.886 178.389 -0.503 RESID 56 (A): CA 52.782 52.782 51.659 1.123 RESID 56 (A): CB 19.246 19.246 20.085 -0.839 RESID 56 (A): H 8.814 8.814 8.195 0.619 RESID 57 (G): N 108.854 108.854 109.249 -0.395 RESID 57 (G): C 173.751 173.751 174.930 -1.179 RESID 57 (G): CA 45.130 45.130 45.840 -0.710 RESID 57 (G): H 8.524 8.524 8.588 -0.064 RESID 58 (K): N 120.911 120.911 118.562 2.349 RESID 58 (K): HA 4.301 4.301 4.264 0.037 RESID 58 (K): C 176.244 176.244 175.399 0.845 RESID 58 (K): CA 55.941 55.941 56.326 -0.385 RESID 58 (K): CB 33.552 33.552 32.202 1.350 RESID 58 (K): H 8.206 8.206 7.814 0.392 RESID 59 (A): N 126.086 126.086 125.353 0.733 RESID 59 (A): HA 4.354 4.354 4.159 0.195 RESID 59 (A): C 177.815 177.815 176.157 1.658 RESID 59 (A): CA 52.346 52.346 52.764 -0.418 RESID 59 (A): CB 19.479 19.479 17.710 1.768 RESID 59 (A): H 8.518 8.518 8.133 0.385 RESID 60 (T): N 114.453 114.453 110.935 3.518 RESID 60 (T): HA 4.434 4.434 4.477 -0.043 RESID 60 (T): C 175.282 175.282 174.588 0.694 RESID 60 (T): CA 61.740 61.740 61.368 0.372 RESID 60 (T): CB 70.210 70.210 70.666 -0.456 RESID 60 (T): H 8.402 8.402 7.823 0.579 RESID 61 (T): N 115.217 115.217 111.721 3.496 RESID 61 (T): HA 4.360 4.360 4.594 -0.234 RESID 61 (T): C 175.851 175.851 175.299 0.552 RESID 61 (T): CA 61.847 61.847 59.569 2.277 RESID 61 (T): CB 70.682 70.682 71.514 -0.832 RESID 61 (T): H 8.429 8.429 7.883 0.546 RESID 62 (E): N 120.843 120.843 121.515 -0.672 RESID 62 (E): HA 3.923 3.923 3.959 -0.036 RESID 62 (E): C 179.517 179.517 178.751 0.766 RESID 62 (E): CA 59.568 59.568 59.813 -0.245 RESID 62 (E): CB 29.223 29.223 29.315 -0.092 RESID 62 (E): H 9.049 9.049 8.947 0.102 RESID 63 (E): N 119.900 119.900 118.963 0.937 RESID 63 (E): HA 3.768 3.768 3.954 -0.186 RESID 63 (E): C 177.635 177.635 179.053 -1.418 RESID 63 (E): CA 60.882 60.882 59.848 1.034 RESID 63 (E): CB 29.410 29.410 29.263 0.147 RESID 63 (E): H 8.857 8.857 8.458 0.399 RESID 64 (Q): N 118.374 118.374 117.591 0.783 RESID 64 (Q): HA 3.821 3.821 3.991 -0.170 RESID 64 (Q): C 178.986 178.986 178.791 0.195 RESID 64 (Q): CA 58.831 58.831 58.489 0.342 RESID 64 (Q): CB 28.480 28.480 28.166 0.314 RESID 64 (Q): H 7.923 7.923 7.729 0.194 RESID 65 (K): N 119.234 119.234 119.316 -0.082 RESID 65 (K): HA 3.940 3.940 4.005 -0.065 RESID 65 (K): C 178.993 178.993 179.237 -0.244 RESID 65 (K): CA 59.547 59.547 59.198 0.349 RESID 65 (K): CB 32.502 32.502 32.254 0.248 RESID 65 (K): H 8.258 8.258 7.812 0.446 RESID 66 (L): N 120.500 120.500 121.894 -1.394 RESID 66 (L): HA 4.060 4.060 4.071 -0.011 RESID 66 (L): C 178.729 178.729 178.076 0.653 RESID 66 (L): CA 58.217 58.217 57.774 0.443 RESID 66 (L): CB 41.328 41.328 41.839 -0.511 RESID 66 (L): H 7.786 7.786 8.129 -0.343 RESID 67 (I): N 118.533 118.533 116.981 1.552 RESID 67 (I): HA 3.817 3.817 3.741 0.076 RESID 67 (I): C 177.644 177.644 177.949 -0.305 RESID 67 (I): CA 62.837 62.837 63.390 -0.553 RESID 67 (I): CB 36.617 36.617 36.218 0.399 RESID 67 (I): H 8.049 8.049 8.625 -0.576 RESID 68 (E): N 121.332 121.332 118.851 2.481 RESID 68 (E): HA 4.117 4.117 4.171 -0.054 RESID 68 (E): C 181.037 181.037 177.600 3.437 RESID 68 (E): CA 59.800 59.800 58.407 1.393 RESID 68 (E): CB 29.330 29.330 29.735 -0.405 RESID 68 (E): H 8.178 8.178 7.544 0.634 RESID 69 (K): N 120.580 120.580 118.824 1.756 RESID 69 (K): HA 4.120 4.120 4.180 -0.060 RESID 69 (K): C 180.563 180.563 178.824 1.739 RESID 69 (K): CA 59.667 59.667 58.046 1.621 RESID 69 (K): CB 33.436 33.436 32.560 0.876 RESID 69 (K): H 7.921 7.921 7.264 0.657 RESID 70 (I): N 123.857 123.857 120.864 2.993 RESID 70 (I): HA 3.761 3.761 3.685 0.076 RESID 70 (I): C 178.582 178.582 175.954 2.628 RESID 70 (I): CA 63.442 63.442 63.380 0.062 RESID 70 (I): CB 36.146 36.146 37.889 -1.742 RESID 70 (I): H 8.533 8.533 8.631 -0.098 RESID 71 (N): N 121.132 121.132 118.452 2.680 RESID 71 (N): HA 4.596 4.596 4.216 0.380 RESID 71 (N): C 178.680 178.680 177.365 1.315 RESID 71 (N): CA 56.116 56.116 56.503 -0.387 RESID 71 (N): CB 37.991 37.991 37.285 0.706 RESID 71 (N): H 9.041 9.041 7.766 1.275 RESID 72 (A): N 123.574 123.574 122.149 1.425 RESID 72 (A): HA 4.231 4.231 4.165 0.066 RESID 72 (A): C 181.206 181.206 179.673 1.533 RESID 72 (A): CA 55.491 55.491 54.872 0.619 RESID 72 (A): CB 17.697 17.697 18.288 -0.591 RESID 72 (A): H 8.361 8.361 7.638 0.723 RESID 73 (G): N 109.949 109.949 106.925 3.024 RESID 73 (G): C 175.146 175.146 177.143 -1.997 RESID 73 (G): CA 47.137 47.137 46.852 0.285 RESID 73 (G): H 8.429 8.429 7.654 0.775 RESID 74 (F): N 124.896 124.896 122.361 2.535 RESID 74 (F): HA 4.079 4.079 4.288 -0.209 RESID 74 (F): C 177.084 177.084 177.517 -0.433 RESID 74 (F): CA 62.295 62.295 59.173 3.122 RESID 74 (F): CB 39.696 39.696 38.296 1.400 RESID 74 (F): H 9.000 9.000 8.338 0.662 RESID 75 (K): N 118.457 118.457 118.913 -0.456 RESID 75 (K): HA 4.009 4.009 4.026 -0.017 RESID 75 (K): C 179.824 179.824 178.948 0.876 RESID 75 (K): CA 60.011 60.011 59.370 0.641 RESID 75 (K): CB 32.450 32.450 31.977 0.472 RESID 75 (K): H 8.165 8.165 8.281 -0.116 RESID 76 (A): N 122.983 122.983 121.539 1.444 RESID 76 (A): HA 4.127 4.127 4.129 -0.002 RESID 76 (A): C 180.654 180.654 179.071 1.583 RESID 76 (A): CA 54.723 54.723 54.836 -0.113 RESID 76 (A): CB 17.580 17.580 18.131 -0.551 RESID 76 (A): H 8.429 8.429 7.630 0.799 RESID 77 (A): N 124.931 124.931 120.405 4.526 RESID 77 (A): HA 3.765 3.765 4.093 -0.328 RESID 77 (A): C 178.922 178.922 179.399 -0.477 RESID 77 (A): CA 55.160 55.160 54.048 1.111 RESID 77 (A): CB 18.170 18.170 19.238 -1.067 RESID 77 (A): H 8.407 8.407 7.524 0.883 RESID 78 (L): N 121.008 121.008 118.758 2.250 RESID 78 (L): HA 4.180 4.180 3.867 0.313 RESID 78 (L): C 180.456 180.456 179.010 1.446 RESID 78 (L): CA 58.160 58.160 57.805 0.355 RESID 78 (L): CB 42.895 42.895 41.739 1.156 RESID 78 (L): H 8.412 8.412 8.513 -0.101 RESID 79 (A): N 121.505 121.505 120.205 1.300 RESID 79 (A): HA 4.133 4.133 4.075 0.058 RESID 79 (A): C 180.329 180.329 179.395 0.934 RESID 79 (A): CA 54.697 54.697 54.682 0.015 RESID 79 (A): CB 17.662 17.662 18.226 -0.564 RESID 79 (A): H 7.813 7.813 7.998 -0.185 RESID 80 (A): N 121.520 121.520 119.976 1.544 RESID 80 (A): HA 4.055 4.055 4.166 -0.111 RESID 80 (A): C 181.040 181.040 178.377 2.663 RESID 80 (A): CA 54.340 54.340 53.377 0.963 RESID 80 (A): CB 18.700 18.700 18.355 0.345 RESID 80 (A): H 8.278 8.278 7.442 0.836 RESID 81 (A): N 119.451 119.451 120.246 -0.795 RESID 81 (A): HA 4.179 4.179 3.788 0.391 RESID 81 (A): C 178.308 178.308 177.276 1.032 RESID 81 (A): CA 53.950 53.950 53.580 0.370 RESID 81 (A): CB 18.900 18.900 18.888 0.012 RESID 81 (A): H 8.428 8.428 7.266 1.162 RESID 82 (A): N 119.868 119.868 119.204 0.664 RESID 82 (A): HA 4.018 4.018 4.478 -0.460 RESID 82 (A): C 178.696 178.696 177.156 1.540 RESID 82 (A): CA 54.290 54.290 50.720 3.570 RESID 82 (A): CB 18.200 18.200 20.671 -2.471 RESID 82 (A): H 7.860 7.860 7.196 0.664 RESID 83 (G): N 128.265 128.265 106.510 21.755 RESID 83 (G): C 174.104 174.104 174.228 -0.124 RESID 83 (G): CA 44.978 44.978 45.341 -0.363 RESID 83 (G): H 7.429 7.429 8.571 -1.142 RESID 84 (V): N 111.883 111.883 116.151 -4.268 RESID 84 (V): HA 4.801 4.801 4.436 0.365 RESID 84 (V): C 175.136 175.136 175.018 0.118 RESID 84 (V): CA 58.875 58.875 60.157 -1.282 RESID 84 (V): CB 34.417 34.417 33.508 0.909 RESID 84 (V): H 7.052 7.052 7.234 -0.182 RESID 85 (Q): N 119.223 119.223 119.170 0.053 RESID 85 (Q): HA 4.410 4.410 4.535 -0.125 RESID 85 (Q): CA 54.350 54.350 53.400 0.950 RESID 85 (Q): CB 26.663 26.663 28.176 -1.513 RESID 85 (Q): H 8.687 8.687 8.298 0.389 RESID 86 (P): HA 4.345 4.345 4.249 0.096 RESID 86 (P): CA 62.130 62.130 64.022 -1.892 RESID 86 (P): CB 32.330 32.330 30.390 1.940 RESID 87 (A): N 118.968 118.968 126.756 -7.788 RESID 87 (A): HA 4.177 4.177 4.380 -0.203 RESID 87 (A): C 177.901 177.901 178.246 -0.345 RESID 87 (A): CA 54.580 54.580 53.511 1.069 RESID 87 (A): CB 18.675 18.675 20.012 -1.337 RESID 87 (A): H 8.949 8.949 8.351 0.598 RESID 88 (D): N 114.859 114.859 119.997 -5.138 RESID 88 (D): HA 5.032 5.032 4.858 0.174 RESID 88 (D): C 177.564 177.564 177.768 -0.204 RESID 88 (D): CA 54.500 54.500 55.521 -1.021 RESID 88 (D): CB 43.027 43.027 42.032 0.995 RESID 88 (D): H 8.201 8.201 7.945 0.256 RESID 89 (K): N 124.691 124.691 120.106 4.585 RESID 89 (K): HA 3.367 3.367 3.839 -0.472 RESID 89 (K): C 177.108 177.108 177.874 -0.766 RESID 89 (K): CA 62.300 62.300 59.619 2.681 RESID 89 (K): CB 32.541 32.541 31.886 0.655 RESID 89 (K): H 7.553 7.553 8.095 -0.542 RESID 90 (Y): N 119.522 119.522 121.159 -1.637 RESID 90 (Y): HA 4.226 4.226 4.853 -0.627 RESID 90 (Y): C 175.856 175.856 177.126 -1.270 RESID 90 (Y): CA 62.070 62.070 59.157 2.913 RESID 90 (Y): CB 37.336 37.336 38.312 -0.976 RESID 90 (Y): H 9.244 9.244 8.133 1.111 RESID 91 (R): N 118.233 118.233 118.535 -0.302 RESID 91 (R): HA 3.603 3.603 3.598 0.005 RESID 91 (R): C 179.347 179.347 178.405 0.942 RESID 91 (R): CA 59.173 59.173 58.773 0.400 RESID 91 (R): CB 29.209 29.209 29.927 -0.718 RESID 91 (R): H 8.973 8.973 8.317 0.656 RESID 92 (T): N 116.043 116.043 116.743 -0.700 RESID 92 (T): HA 3.912 3.912 4.032 -0.120 RESID 92 (T): C 176.425 176.425 176.146 0.279 RESID 92 (T): CA 67.061 67.061 67.092 -0.031 RESID 92 (T): CB 68.762 68.762 68.416 0.346 RESID 92 (T): H 7.949 7.949 8.718 -0.769 RESID 93 (F): N 125.587 125.587 120.806 4.781 RESID 93 (F): HA 3.764 3.764 4.243 -0.479 RESID 93 (F): C 177.008 177.008 178.096 -1.088 RESID 93 (F): CA 62.783 62.783 62.407 0.376 RESID 93 (F): CB 39.771 39.771 38.527 1.244 RESID 93 (F): H 9.047 9.047 7.488 1.559 RESID 94 (V): N 118.057 118.057 118.185 -0.128 RESID 94 (V): HA 3.285 3.285 3.575 -0.290 RESID 94 (V): C 179.641 179.641 177.923 1.718 RESID 94 (V): CA 67.046 67.046 65.948 1.098 RESID 94 (V): CB 31.890 31.890 31.223 0.667 RESID 94 (V): H 8.540 8.540 7.968 0.572 RESID 95 (A): N 121.659 121.659 121.442 0.217 RESID 95 (A): HA 4.076 4.076 4.015 0.061 RESID 95 (A): C 180.431 180.431 179.709 0.722 RESID 95 (A): CA 55.002 55.002 55.168 -0.166 RESID 95 (A): CB 18.135 18.135 18.410 -0.275 RESID 95 (A): H 8.056 8.056 8.044 0.012 RESID 96 (T): N 115.396 115.396 114.933 0.463 RESID 96 (T): HA 4.197 4.197 4.095 0.102 RESID 96 (T): C 176.605 176.605 176.634 -0.029 RESID 96 (T): CA 68.450 68.450 65.606 2.844 RESID 96 (T): CB 66.738 66.738 69.046 -2.308 RESID 96 (T): H 7.904 7.904 8.341 -0.437 RESID 97 (F): N 123.502 123.502 122.662 0.840 RESID 97 (F): HA 3.628 3.628 4.127 -0.499 RESID 97 (F): C 177.130 177.130 176.856 0.274 RESID 97 (F): CA 61.883 61.883 60.632 1.251 RESID 97 (F): CB 39.300 39.300 38.708 0.592 RESID 97 (F): H 9.024 9.024 8.265 0.759 RESID 98 (G): N 107.348 107.348 107.072 0.276 RESID 98 (G): C 175.718 175.718 175.106 0.612 RESID 98 (G): CA 46.926 46.926 46.900 0.026 RESID 98 (G): H 8.476 8.476 7.914 0.562 RESID 99 (A): N 122.344 122.344 124.028 -1.684 RESID 99 (A): HA 4.130 4.130 4.041 0.089 RESID 99 (A): C 180.299 180.299 179.116 1.183 RESID 99 (A): CA 54.856 54.856 54.621 0.235 RESID 99 (A): CB 17.755 17.755 18.132 -0.377 RESID 99 (A): H 7.404 7.404 7.879 -0.475 RESID 100 (A): N 121.274 121.274 120.851 0.423 RESID 100 (A): HA 4.207 4.207 3.847 0.360 RESID 100 (A): C 181.140 181.140 179.462 1.678 RESID 100 (A): CA 54.496 54.496 54.910 -0.414 RESID 100 (A): CB 17.543 17.543 17.768 -0.225 RESID 100 (A): H 9.009 9.009 7.313 1.696 RESID 101 (S): N 116.676 116.676 113.424 3.252 RESID 101 (S): HA 4.202 4.202 4.087 0.115 RESID 101 (S): C 176.687 176.687 176.321 0.366 RESID 101 (S): CA 68.500 68.500 61.200 7.300 RESID 101 (S): CB 67.022 67.022 62.810 4.212 RESID 101 (S): H 7.861 7.861 7.611 0.250 RESID 102 (N): HA 4.281 4.281 4.281 0.000 RESID 102 (N): CA 55.960 55.960 56.048 -0.088 RESID 102 (N): CB 37.701 37.701 38.184 -0.482 RESID 103 (K): N 120.130 120.130 120.252 -0.122 RESID 103 (K): HA 4.009 4.009 4.033 -0.024 RESID 103 (K): C 177.809 177.809 178.633 -0.824 RESID 103 (K): CA 59.437 59.437 59.422 0.015 RESID 103 (K): CB 32.638 32.638 32.626 0.012 RESID 103 (K): H 7.716 7.716 7.932 -0.216 RESID 104 (A): N 121.097 121.097 121.730 -0.633 RESID 104 (A): HA 3.994 3.994 4.138 -0.144 RESID 104 (A): C 180.119 180.119 180.047 0.072 RESID 104 (A): CA 54.666 54.666 54.986 -0.320 RESID 104 (A): CB 18.369 18.369 18.391 -0.022 RESID 104 (A): H 7.762 7.762 7.529 0.233 RESID 105 (F): N 116.920 116.920 118.090 -1.170 RESID 105 (F): HA 4.231 4.231 4.173 0.058 RESID 105 (F): C 177.950 177.950 177.768 0.182 RESID 105 (F): CA 59.775 59.775 60.166 -0.391 RESID 105 (F): CB 38.380 38.380 38.418 -0.038 RESID 105 (F): H 8.508 8.508 8.784 -0.276 RESID 106 (A): N 121.978 121.978 119.800 2.178 RESID 106 (A): HA 4.180 4.180 4.268 -0.088 RESID 106 (A): CA 54.164 54.164 54.130 0.034 RESID 106 (A): CB 18.482 18.482 18.453 0.029 RESID 106 (A): H 7.885 7.885 7.921 -0.036 RESID 107 (E): N 118.006 118.006 116.564 1.442 RESID 107 (E): HA 4.125 4.125 4.423 -0.298 RESID 107 (E): C 177.933 177.933 177.951 -0.018 RESID 107 (E): CA 57.663 57.663 56.351 1.312 RESID 107 (E): CB 30.205 30.205 30.657 -0.452 RESID 107 (E): H 7.991 7.991 7.874 0.117 RESID 108 (G): N 108.097 108.097 108.514 -0.417 RESID 108 (G): C 174.327 174.327 174.486 -0.159 RESID 108 (G): CA 45.675 45.675 46.085 -0.410 RESID 108 (G): H 8.106 8.106 8.185 -0.079 RESID 109 (L): N 121.291 121.291 122.432 -1.141 RESID 109 (L): HA 4.338 4.338 4.434 -0.096 RESID 109 (L): C 177.737 177.737 175.308 2.429 RESID 109 (L): CA 55.404 55.404 54.609 0.795 RESID 109 (L): CB 42.279 42.279 41.011 1.268 RESID 109 (L): H 7.965 7.965 7.690 0.275 RESID 110 (S): N 115.953 115.953 118.852 -2.899 RESID 110 (S): HA 4.350 4.350 4.555 -0.205 RESID 110 (S): C 175.049 175.049 174.710 0.339 RESID 110 (S): CA 58.898 58.898 57.969 0.929 RESID 110 (S): CB 63.724 63.724 65.573 -1.849 RESID 110 (S): H 8.243 8.243 8.076 0.167 RESID 111 (G): N 110.568 110.568 108.829 1.739 RESID 111 (G): C 173.855 173.855 174.178 -0.323 RESID 111 (G): CA 45.127 45.127 45.460 -0.333 RESID 111 (G): H 8.392 8.392 8.490 -0.098 RESID 112 (E): N 121.380 121.380 119.443 1.937 RESID 112 (E): HA 4.538 4.538 4.558 -0.020 RESID 112 (E): CA 54.191 54.191 54.050 0.141 RESID 112 (E): CB 29.390 29.390 30.224 -0.834 RESID 112 (E): H 8.060 8.060 8.138 -0.078 RESID 113 (P): HA 4.349 4.349 4.309 0.040 RESID 113 (P): CA 63.375 63.375 63.336 0.040 RESID 113 (P): CB 32.052 32.052 32.113 -0.061 RESID 114 (K): N 121.571 121.571 121.862 -0.291 RESID 114 (K): HA 4.246 4.246 4.081 0.165 RESID 114 (K): C 177.324 177.324 176.619 0.705 RESID 114 (K): CA 56.277 56.277 56.518 -0.241 RESID 114 (K): CB 32.803 32.803 31.967 0.836 RESID 114 (K): H 8.536 8.536 8.270 0.266 RESID 115 (G): N 110.197 110.197 108.767 1.430 RESID 115 (G): C 174.102 174.102 174.190 -0.088 RESID 115 (G): CA 45.232 45.232 45.463 -0.231 RESID 115 (G): H 8.490 8.490 8.332 0.158 RESID 116 (A): N 123.966 123.966 122.465 1.501 RESID 116 (A): HA 4.210 4.210 4.061 0.149 RESID 116 (A): C 178.191 178.191 177.212 0.979 RESID 116 (A): CA 53.081 53.081 51.971 1.110 RESID 116 (A): CB 19.458 19.458 17.909 1.549 RESID 116 (A): H 8.205 8.205 7.831 0.374 RESID 117 (A): N 122.628 122.628 121.085 1.543 RESID 117 (A): HA 4.199 4.199 4.055 0.144 RESID 117 (A): C 178.499 178.499 177.927 0.572 RESID 117 (A): CA 53.146 53.146 52.646 0.500 RESID 117 (A): CB 19.106 19.106 17.862 1.244 RESID 117 (A): H 8.429 8.429 8.324 0.105 RESID 118 (E): N 119.797 119.797 119.491 0.306 RESID 118 (E): HA 4.199 4.199 3.998 0.201 RESID 118 (E): C 177.223 177.223 178.317 -1.094 RESID 118 (E): CA 57.387 57.387 58.357 -0.970 RESID 118 (E): CB 30.168 30.168 29.112 1.056 RESID 118 (E): H 8.451 8.451 8.906 -0.455 RESID 119 (S): N 116.850 116.850 115.001 1.849 RESID 119 (S): HA 4.397 4.397 4.072 0.325 RESID 119 (S): C 175.564 175.564 176.389 -0.825 RESID 119 (S): CA 58.914 58.914 61.404 -2.490 RESID 119 (S): CB 63.487 63.487 62.670 0.817 RESID 119 (S): H 8.432 8.432 8.350 0.082 RESID 120 (S): N 118.812 118.812 115.887 2.925 RESID 120 (S): HA 4.330 4.330 4.181 0.149 RESID 120 (S): C 176.421 176.421 176.358 0.063 RESID 120 (S): CA 59.906 59.906 61.497 -1.591 RESID 120 (S): CB 63.110 63.110 62.461 0.649 RESID 120 (S): H 8.559 8.559 8.018 0.541 RESID 121 (S): N 118.669 118.669 117.001 1.668 RESID 121 (S): HA 4.288 4.288 4.300 -0.012 RESID 121 (S): C 176.593 176.593 176.379 0.214 RESID 121 (S): CA 60.439 60.439 60.822 -0.383 RESID 121 (S): CB 62.780 62.780 62.941 -0.161 RESID 121 (S): H 8.462 8.462 7.423 1.039 RESID 122 (K): N 123.978 123.978 121.327 2.651 RESID 122 (K): HA 4.060 4.060 4.249 -0.189 RESID 122 (K): CA 59.263 59.263 56.739 2.525 RESID 122 (K): CB 32.296 32.296 31.706 0.590 RESID 122 (K): H 8.212 8.212 7.844 0.368 RESID 123 (A): N 123.450 123.450 123.177 0.273 RESID 123 (A): HA 4.136 4.136 4.122 0.014 RESID 123 (A): CA 54.330 54.330 55.354 -1.024 RESID 123 (A): CB 18.320 18.320 18.280 0.040 RESID 123 (A): H 8.209 8.209 8.653 -0.444 RESID 124 (A): N 121.680 121.680 121.127 0.553 RESID 124 (A): HA 4.105 4.105 4.107 -0.002 RESID 124 (A): CA 54.550 54.550 54.777 -0.227 RESID 124 (A): CB 18.260 18.260 18.332 -0.072 RESID 124 (A): H 8.093 8.093 7.865 0.228 RESID 125 (L): N 120.426 120.426 118.078 2.348 RESID 125 (L): HA 4.072 4.072 4.089 -0.017 RESID 125 (L): C 178.680 178.680 178.616 0.064 RESID 125 (L): CA 57.920 57.920 58.002 -0.082 RESID 125 (L): CB 41.254 41.254 42.183 -0.929 RESID 125 (L): H 8.091 8.091 7.899 0.192 RESID 126 (T): N 112.939 112.939 113.145 -0.206 RESID 126 (T): HA 4.045 4.045 4.174 -0.129 RESID 126 (T): C 176.662 176.662 176.807 -0.145 RESID 126 (T): CA 68.000 68.000 66.504 1.496 RESID 126 (T): CB 66.703 66.703 68.538 -1.835 RESID 126 (T): H 8.439 8.439 8.694 -0.255 RESID 127 (S): N 116.674 116.674 117.774 -1.100 RESID 127 (S): HA 4.230 4.230 4.172 0.058 RESID 127 (S): C 177.500 177.500 176.784 0.716 RESID 127 (S): CA 61.651 61.651 61.957 -0.306 RESID 127 (S): CB 62.770 62.770 62.887 -0.117 RESID 127 (S): H 7.830 7.830 8.569 -0.739 RESID 128 (K): N 122.748 122.748 122.440 0.308 RESID 128 (K): HA 4.178 4.178 4.177 0.001 RESID 128 (K): C 180.027 180.027 178.372 1.655 RESID 128 (K): CA 59.720 59.720 59.005 0.715 RESID 128 (K): CB 32.811 32.811 32.598 0.213 RESID 128 (K): H 7.837 7.837 7.559 0.278 RESID 129 (L): N 122.100 122.100 121.449 0.651 RESID 129 (L): HA 3.680 3.680 4.188 -0.508 RESID 129 (L): C 176.494 176.494 178.935 -2.441 RESID 129 (L): CA 57.837 57.837 58.065 -0.228 RESID 129 (L): CB 41.142 41.142 41.026 0.116 RESID 129 (L): H 8.389 8.389 8.099 0.290 RESID 130 (D): N 117.732 117.732 119.378 -1.646 RESID 130 (D): HA 4.104 4.104 4.440 -0.336 RESID 130 (D): C 178.771 178.771 178.581 0.190 RESID 130 (D): CA 57.828 57.828 57.245 0.583 RESID 130 (D): CB 41.591 41.591 40.812 0.779 RESID 130 (D): H 8.237 8.237 8.147 0.090 RESID 131 (A): N 119.043 119.043 122.335 -3.292 RESID 131 (A): HA 4.031 4.031 4.140 -0.109 RESID 131 (A): C 180.501 180.501 179.736 0.765 RESID 131 (A): CA 55.080 55.080 55.093 -0.013 RESID 131 (A): CB 17.836 17.836 18.425 -0.589 RESID 131 (A): H 7.701 7.701 7.765 -0.064 RESID 132 (A): N 123.553 123.553 121.395 2.158 RESID 132 (A): HA 4.097 4.097 4.143 -0.046 RESID 132 (A): C 179.369 179.369 179.055 0.314 RESID 132 (A): CA 54.773 54.773 54.776 -0.003 RESID 132 (A): CB 18.260 18.260 18.346 -0.086 RESID 132 (A): H 7.862 7.862 8.603 -0.741 RESID 133 (Y): N 119.392 119.392 120.623 -1.231 RESID 133 (Y): HA 4.127 4.127 4.052 0.075 RESID 133 (Y): C 180.484 180.484 177.954 2.530 RESID 133 (Y): CA 57.910 57.910 62.299 -4.389 RESID 133 (Y): CB 35.838 35.838 38.376 -2.538 RESID 133 (Y): H 8.847 8.847 8.490 0.357 RESID 134 (K): N 121.044 121.044 119.009 2.035 RESID 134 (K): HA 4.212 4.212 4.150 0.062 RESID 134 (K): C 178.998 178.998 179.132 -0.134 RESID 134 (K): CA 59.861 59.861 58.857 1.004 RESID 134 (K): CB 32.553 32.553 32.293 0.260 RESID 134 (K): H 8.298 8.298 8.031 0.267 RESID 135 (L): N 122.293 122.293 121.198 1.095 RESID 135 (L): HA 4.201 4.201 4.069 0.132 RESID 135 (L): C 180.381 180.381 178.271 2.110 RESID 135 (L): CA 57.871 57.871 57.543 0.328 RESID 135 (L): CB 41.852 41.852 41.573 0.279 RESID 135 (L): H 8.207 8.207 7.763 0.444 RESID 136 (A): N 124.897 124.897 121.366 3.531 RESID 136 (A): HA 3.736 3.736 4.021 -0.285 RESID 136 (A): C 178.374 178.374 179.639 -1.265 RESID 136 (A): CA 56.103 56.103 54.892 1.211 RESID 136 (A): CB 17.563 17.563 18.352 -0.789 RESID 136 (A): H 8.614 8.614 8.582 0.032 RESID 137 (Y): N 118.204 118.204 120.100 -1.896 RESID 137 (Y): HA 4.334 4.334 2.897 1.437 RESID 137 (Y): C 177.390 177.390 177.611 -0.221 RESID 137 (Y): CA 62.357 62.357 60.460 1.897 RESID 137 (Y): CB 38.728 38.728 37.725 1.003 RESID 137 (Y): H 8.320 8.320 7.791 0.529 RESID 138 (K): N 119.255 119.255 119.496 -0.241 RESID 138 (K): HA 3.897 3.897 3.658 0.239 RESID 138 (K): C 179.695 179.695 178.946 0.749 RESID 138 (K): CA 59.242 59.242 59.307 -0.065 RESID 138 (K): CB 32.309 32.309 32.242 0.067 RESID 138 (K): H 8.722 8.722 8.057 0.665 RESID 139 (T): N 116.244 116.244 111.833 4.411 RESID 139 (T): HA 4.120 4.120 3.970 0.150 RESID 139 (T): C 176.563 176.563 175.726 0.837 RESID 139 (T): CA 68.750 68.750 65.096 3.654 RESID 139 (T): CB 66.863 66.863 68.233 -1.370 RESID 139 (T): H 8.368 8.368 7.614 0.754 RESID 140 (A): N 124.310 124.310 124.127 0.183 RESID 140 (A): HA 3.884 3.884 3.847 0.037 RESID 140 (A): C 179.123 179.123 178.208 0.915 RESID 140 (A): CA 54.887 54.887 54.428 0.459 RESID 140 (A): CB 19.489 19.489 17.645 1.844 RESID 140 (A): H 8.207 8.207 7.409 0.798 RESID 141 (E): N 117.572 117.572 117.398 0.174 RESID 141 (E): HA 3.696 3.696 3.845 -0.149 RESID 141 (E): C 177.623 177.623 177.821 -0.198 RESID 141 (E): CA 58.472 58.472 57.824 0.648 RESID 141 (E): CB 29.633 29.633 29.605 0.028 RESID 141 (E): H 8.324 8.324 7.307 1.017 RESID 142 (G): N 103.520 103.520 105.528 -2.008 RESID 142 (G): C 173.480 173.480 174.253 -0.773 RESID 142 (G): CA 44.841 44.841 44.599 0.242 RESID 142 (G): H 7.333 7.333 7.197 0.136 RESID 143 (A): N 124.154 124.154 122.931 1.223 RESID 143 (A): HA 4.475 4.475 4.233 0.242 RESID 143 (A): C 177.290 177.290 176.624 0.666 RESID 143 (A): CA 50.615 50.615 52.082 -1.467 RESID 143 (A): CB 19.859 19.859 19.149 0.710 RESID 143 (A): H 7.339 7.339 7.713 -0.374 RESID 144 (T): N 112.353 112.353 115.893 -3.540 RESID 144 (T): HA 4.431 4.431 4.295 0.136 RESID 144 (T): C 174.105 174.105 174.369 -0.264 RESID 144 (T): CA 60.634 60.634 60.716 -0.082 RESID 144 (T): CB 67.394 67.394 69.419 -2.025 RESID 144 (T): H 8.116 8.116 8.106 0.010 RESID 145 (P): HA 3.914 3.914 4.294 -0.380 RESID 145 (P): C 179.300 179.300 176.542 2.758 RESID 145 (P): CA 66.875 66.875 64.148 2.727 RESID 145 (P): CB 32.327 32.327 31.295 1.032 RESID 146 (E): N 116.397 116.397 118.197 -1.800 RESID 146 (E): HA 4.178 4.178 4.284 -0.106 RESID 146 (E): C 176.426 176.426 177.050 -0.624 RESID 146 (E): CA 58.746 58.746 57.097 1.649 RESID 146 (E): CB 28.347 28.347 30.273 -1.926 RESID 146 (E): H 9.340 9.340 7.745 1.595 RESID 147 (A): N 123.484 123.484 120.156 3.328 RESID 147 (A): HA 4.678 4.678 4.707 -0.029 RESID 147 (A): C 177.808 177.808 176.996 0.812 RESID 147 (A): CA 52.028 52.028 52.434 -0.406 RESID 147 (A): CB 20.943 20.943 19.221 1.722 RESID 147 (A): H 7.984 7.984 8.128 -0.144 RESID 148 (K): N 120.663 120.663 121.569 -0.906 RESID 148 (K): HA 3.465 3.465 3.911 -0.446 RESID 148 (K): C 177.165 177.165 177.175 -0.010 RESID 148 (K): CA 61.675 61.675 59.287 2.388 RESID 148 (K): CB 33.075 33.075 31.998 1.077 RESID 148 (K): H 7.285 7.285 7.731 -0.447 RESID 149 (Y): N 118.061 118.061 118.886 -0.825 RESID 149 (Y): HA 4.059 4.059 4.337 -0.278 RESID 149 (Y): C 175.368 175.368 177.758 -2.390 RESID 149 (Y): CA 62.206 62.206 61.612 0.594 RESID 149 (Y): CB 37.386 37.386 37.730 -0.344 RESID 149 (Y): H 8.793 8.793 8.052 0.741 RESID 150 (D): N 118.180 118.180 119.700 -1.520 RESID 150 (D): HA 3.820 3.820 4.344 -0.524 RESID 150 (D): C 178.927 178.927 178.211 0.716 RESID 150 (D): CA 57.373 57.373 57.130 0.243 RESID 150 (D): CB 40.511 40.511 40.366 0.145 RESID 150 (D): H 8.442 8.442 7.927 0.515 RESID 152 (Y): HA 3.803 3.803 4.271 -0.468 RESID 152 (Y): C 176.950 176.950 177.838 -0.888 RESID 152 (Y): CA 62.480 62.480 59.311 3.169 RESID 152 (Y): CB 39.180 39.180 38.011 1.169 RESID 153 (V): N 116.500 116.500 118.674 -2.174 RESID 153 (V): HA 2.980 2.980 3.203 -0.223 RESID 153 (V): C 178.920 178.920 178.728 0.192 RESID 153 (V): CA 66.800 66.800 65.687 1.113 RESID 153 (V): CB 31.730 31.730 31.115 0.615 RESID 153 (V): H 8.126 8.126 8.183 -0.057 RESID 154 (A): N 122.151 122.151 122.030 0.121 RESID 154 (A): HA 3.981 3.981 4.114 -0.133 RESID 154 (A): C 176.909 176.909 179.740 -2.831 RESID 154 (A): CA 55.037 55.037 55.252 -0.215 RESID 154 (A): CB 18.243 18.243 18.315 -0.072 RESID 154 (A): H 8.363 8.363 8.658 -0.295 RESID 155 (T): N 114.478 114.478 115.202 -0.724 RESID 155 (T): HA 3.807 3.807 4.063 -0.256 RESID 155 (T): C 176.582 176.582 175.760 0.822 RESID 155 (T): CA 66.731 66.731 66.218 0.513 RESID 155 (T): CB 68.550 68.550 68.708 -0.158 RESID 155 (T): H 7.590 7.590 8.442 -0.852 RESID 156 (L): N 122.590 122.590 121.977 0.613 RESID 156 (L): HA 3.873 3.873 4.154 -0.281 RESID 156 (L): CA 57.829 57.829 57.975 -0.146 RESID 156 (L): CB 42.149 42.149 41.515 0.634 RESID 156 (L): H 8.449 8.449 7.430 1.019 RESID 157 (S): N 112.486 112.486 113.214 -0.728 RESID 157 (S): HA 3.873 3.873 4.126 -0.253 RESID 157 (S): C 177.485 177.485 176.618 0.867 RESID 157 (S): CA 62.556 62.556 61.337 1.219 RESID 157 (S): CB 61.390 61.390 62.590 -1.200 RESID 157 (S): H 8.705 8.705 8.059 0.646 RESID 158 (E): N 121.019 121.019 122.678 -1.659 RESID 158 (E): HA 4.124 4.124 4.038 0.086 RESID 158 (E): C 177.558 177.558 178.044 -0.486 RESID 158 (E): CA 58.615 58.615 59.273 -0.658 RESID 158 (E): CB 29.232 29.232 29.502 -0.269 RESID 158 (E): H 7.408 7.408 7.724 -0.316 RESID 159 (A): N 120.731 120.731 122.061 -1.330 RESID 159 (A): HA 4.121 4.121 4.180 -0.059 RESID 159 (A): C 181.006 181.006 179.890 1.116 RESID 159 (A): CA 55.181 55.181 54.867 0.314 RESID 159 (A): CB 18.546 18.546 18.369 0.177 RESID 159 (A): H 7.803 7.803 7.666 0.137 RESID 160 (L): N 116.637 116.637 119.717 -3.080 RESID 160 (L): HA 3.901 3.901 4.153 -0.252 RESID 160 (L): C 179.216 179.216 178.604 0.612 RESID 160 (L): CA 57.843 57.843 57.473 0.370 RESID 160 (L): CB 41.050 41.050 41.947 -0.897 RESID 160 (L): H 8.670 8.670 7.900 0.770 RESID 161 (R): N 121.986 121.986 119.735 2.251 RESID 161 (R): HA 3.908 3.908 4.060 -0.152 RESID 161 (R): C 179.790 179.790 178.969 0.821 RESID 161 (R): CA 59.657 59.657 59.456 0.201 RESID 161 (R): CB 29.935 29.935 30.186 -0.251 RESID 161 (R): H 7.914 7.914 8.375 -0.461 RESID 162 (I): N 120.810 120.810 120.153 0.657 RESID 162 (I): HA 3.683 3.683 3.813 -0.130 RESID 162 (I): C 179.685 179.685 177.333 2.352 RESID 162 (I): CA 64.321 64.321 63.965 0.356 RESID 162 (I): CB 37.832 37.832 38.285 -0.453 RESID 162 (I): H 7.895 7.895 7.709 0.186 RESID 163 (I): HA 3.560 3.560 3.723 -0.163 RESID 163 (I): CA 65.367 65.367 64.600 0.767 RESID 163 (I): CB 38.510 38.510 38.039 0.470 RESID 164 (A): N 121.450 121.450 120.112 1.338 RESID 164 (A): HA 3.938 3.938 4.184 -0.246 RESID 164 (A): C 179.920 179.920 178.799 1.121 RESID 164 (A): CA 55.090 55.090 54.463 0.627 RESID 164 (A): CB 18.170 18.170 18.262 -0.092 RESID 164 (A): H 8.525 8.525 7.684 0.841 RESID 165 (G): N 104.876 104.876 103.787 1.089 RESID 165 (G): C 175.831 175.831 175.268 0.563 RESID 165 (G): CA 46.602 46.602 45.567 1.035 RESID 165 (G): H 7.921 7.921 7.811 0.110 RESID 166 (T): N 111.734 111.734 111.700 0.034 RESID 166 (T): HA 4.306 4.306 4.431 -0.125 RESID 166 (T): C 175.095 175.095 175.091 0.004 RESID 166 (T): CA 63.000 63.000 62.597 0.403 RESID 166 (T): CB 69.795 69.795 70.170 -0.375 RESID 166 (T): H 7.786 7.786 7.480 0.306 RESID 167 (L): N 121.291 121.291 121.646 -0.355 RESID 167 (L): HA 4.262 4.262 4.340 -0.078 RESID 167 (L): C 177.004 177.004 176.431 0.573 RESID 167 (L): CA 55.040 55.040 55.624 -0.584 RESID 167 (L): CB 42.292 42.292 42.597 -0.305 RESID 167 (L): H 7.456 7.456 7.643 -0.187 RESID 168 (E): N 119.686 119.686 119.451 0.235 RESID 168 (E): HA 4.151 4.151 4.304 -0.153 RESID 168 (E): C 176.001 176.001 175.588 0.413 RESID 168 (E): CA 56.210 56.210 55.828 0.382 RESID 168 (E): CB 30.242 30.242 30.651 -0.409 RESID 168 (E): H 7.840 7.840 7.943 -0.103 RESID 169 (V): N 120.922 120.922 122.378 -1.456 RESID 169 (V): HA 3.979 3.979 4.180 -0.201 RESID 169 (V): C 175.876 175.876 176.082 -0.206 RESID 169 (V): CA 56.270 56.270 61.452 -5.182 RESID 169 (V): H 8.060 8.060 8.139 -0.079 RESID 170 (H): N 122.829 122.829 127.295 -4.466 RESID 170 (H): HA 4.626 4.626 4.544 0.082 RESID 170 (H): C 174.023 174.023 175.003 -0.980 RESID 170 (H): CA 55.025 55.025 56.519 -1.494 RESID 170 (H): CB 29.661 29.661 30.470 -0.809 RESID 170 (H): H 8.560 8.560 8.362 0.198 RESID 171 (A): N 125.857 125.857 126.933 -1.076 RESID 171 (A): HA 4.206 4.206 4.445 -0.239 RESID 171 (A): C 177.398 177.398 176.256 1.142 RESID 171 (A): CA 52.300 52.300 52.235 0.065 RESID 171 (A): CB 18.300 18.300 19.648 -1.348 RESID 171 (A): H 8.393 8.393 8.680 -0.287 RESID 172 (V): N 120.329 120.329 117.898 2.431 RESID 172 (V): HA 4.011 4.011 4.395 -0.384 RESID 172 (V): C 175.833 175.833 174.477 1.356 RESID 172 (V): CA 61.923 61.923 61.000 0.923 RESID 172 (V): CB 32.550 32.550 34.534 -1.984 RESID 172 (V): H 8.238 8.238 7.639 0.599 RESID 173 (K): N 127.029 127.029 127.214 -0.185 RESID 173 (K): C 174.205 174.205 174.784 -0.579 RESID 173 (K): CA 54.059 54.059 54.038 0.021 RESID 173 (K): CB 32.437 32.437 33.083 -0.646 RESID 173 (K): H 8.442 8.442 8.360 0.082 RESID 174 (P): HA 4.322 4.322 4.444 -0.122 RESID 174 (P): CA 63.140 63.140 63.425 -0.285 RESID 174 (P): CB 32.320 32.320 30.190 2.130 RESID 175 (A): N 125.330 125.330 123.586 1.744 RESID 175 (A): HA 4.189 4.189 4.426 -0.237 RESID 175 (A): C 178.296 178.296 177.399 0.897 RESID 175 (A): CA 53.043 53.043 51.896 1.147 RESID 175 (A): CB 19.376 19.376 20.019 -0.643 RESID 175 (A): H 8.430 8.430 8.201 0.229 RESID 176 (A): N 123.143 123.143 121.861 1.282 RESID 176 (A): HA 4.204 4.204 4.194 0.010 RESID 176 (A): C 177.718 177.718 176.993 0.725 RESID 176 (A): CA 52.432 52.432 52.517 -0.085 RESID 176 (A): CB 19.500 19.500 18.955 0.545 RESID 176 (A): H 8.326 8.326 8.072 0.254 RESID 177 (E): N 119.752 119.752 121.008 -1.256 RESID 177 (E): HA 4.142 4.142 4.359 -0.217 RESID 177 (E): C 176.350 176.350 175.457 0.893 RESID 177 (E): CA 56.302 56.302 56.617 -0.315 RESID 177 (E): CB 30.333 30.333 29.873 0.460 RESID 177 (E): H 8.354 8.354 9.038 -0.684 RESID 178 (E): N 122.557 122.557 119.515 3.042 RESID 178 (E): HA 4.193 4.193 4.597 -0.404 RESID 178 (E): C 176.260 176.260 175.017 1.243 RESID 178 (E): CA 56.307 56.307 56.011 0.296 RESID 178 (E): CB 30.542 30.542 32.337 -1.795 RESID 178 (E): H 8.395 8.395 8.167 0.228 RESID 179 (V): N 122.787 122.787 119.750 3.037 RESID 179 (V): HA 3.983 3.983 4.284 -0.301 RESID 179 (V): C 175.871 175.871 175.883 -0.012 RESID 179 (V): CA 62.225 62.225 62.546 -0.321 RESID 179 (V): CB 32.459 32.459 32.526 -0.067 RESID 179 (V): H 8.232 8.232 8.551 -0.319 RESID 180 (K): N 126.356 126.356 120.519 5.837 RESID 180 (K): HA 4.315 4.315 4.230 0.085 RESID 180 (K): C 176.090 176.090 176.840 -0.750 RESID 180 (K): CA 55.880 55.880 57.681 -1.801 RESID 180 (K): CB 33.000 33.000 32.953 0.047 RESID 180 (K): H 8.427 8.427 7.933 0.494 RESID 181 (V): N 122.752 122.752 117.462 5.290 RESID 181 (V): HA 4.043 4.043 4.282 -0.239 RESID 181 (V): C 175.754 175.754 174.035 1.719 RESID 181 (V): CA 61.803 61.803 61.047 0.756 RESID 181 (V): CB 33.155 33.155 34.020 -0.865 RESID 181 (V): H 8.244 8.244 7.548 0.696 RESID 182 (I): N 127.826 127.826 125.322 2.504 RESID 182 (I): C 174.257 174.257 176.095 -1.838 RESID 182 (I): CA 58.244 58.244 60.534 -2.290 RESID 182 (I): CB 38.555 38.555 37.797 0.758 RESID 182 (I): H 8.388 8.388 8.330 0.058 RESID 183 (P): HA 4.330 4.330 4.403 -0.073 RESID 183 (P): C 176.700 176.700 177.030 -0.330 RESID 183 (P): CA 63.230 63.230 64.288 -1.058 RESID 183 (P): CB 32.380 32.380 31.895 0.485 RESID 184 (A): N 124.690 124.690 120.223 4.467 RESID 184 (A): HA 4.193 4.193 4.326 -0.133 RESID 184 (A): C 178.758 178.758 178.317 0.441 RESID 184 (A): CA 53.320 53.320 52.352 0.968 RESID 184 (A): CB 19.340 19.340 19.163 0.177 RESID 184 (A): H 8.485 8.485 8.021 0.464 RESID 185 (G): N 107.324 107.324 106.601 0.723 RESID 185 (G): C 174.758 174.758 174.546 0.212 RESID 185 (G): CA 45.717 45.717 44.089 1.628 RESID 185 (G): H 8.527 8.527 7.354 1.173 RESID 186 (E): N 120.410 120.410 117.170 3.240 RESID 186 (E): HA 4.170 4.170 3.977 0.193 RESID 186 (E): C 177.470 177.470 178.114 -0.644 RESID 186 (E): CA 57.890 57.890 58.409 -0.519 RESID 186 (E): CB 30.180 30.180 28.943 1.237 RESID 186 (E): H 8.262 8.262 8.785 -0.523 RESID 187 (L): N 121.652 121.652 120.268 1.384 RESID 187 (L): HA 4.140 4.140 4.135 0.005 RESID 187 (L): C 178.002 178.002 178.703 -0.701 RESID 187 (L): CA 56.458 56.458 56.770 -0.312 RESID 187 (L): CB 42.056 42.056 41.730 0.326 RESID 187 (L): H 8.247 8.247 7.390 0.857 RESID 188 (Q): N 119.063 119.063 119.609 -0.546 RESID 188 (Q): HA 4.205 4.205 4.039 0.166 RESID 188 (Q): C 177.544 177.544 178.114 -0.570 RESID 188 (Q): CA 57.584 57.584 58.904 -1.321 RESID 188 (Q): CB 28.421 28.421 28.400 0.021 RESID 188 (Q): H 8.377 8.377 8.719 -0.342 RESID 189 (V): N 118.808 118.808 120.318 -1.510 RESID 189 (V): HA 3.680 3.680 3.684 -0.004 RESID 189 (V): C 177.439 177.439 177.350 0.089 RESID 189 (V): CA 65.376 65.376 65.626 -0.250 RESID 189 (V): CB 31.970 31.970 31.752 0.218 RESID 189 (V): H 7.872 7.872 7.529 0.343 RESID 190 (I): N 120.522 120.522 119.688 0.834 RESID 190 (I): HA 3.694 3.694 3.718 -0.024 RESID 190 (I): C 177.364 177.364 176.960 0.404 RESID 190 (I): CA 63.323 63.323 63.454 -0.131 RESID 190 (I): CB 36.643 36.643 37.487 -0.844 RESID 190 (I): H 8.119 8.119 7.485 0.634 RESID 191 (E): N 120.185 120.185 120.027 0.158 RESID 191 (E): HA 4.141 4.141 4.006 0.135 RESID 191 (E): C 179.310 179.310 179.234 0.076 RESID 191 (E): CA 59.756 59.756 59.483 0.274 RESID 191 (E): CB 29.276 29.276 29.006 0.270 RESID 191 (E): H 8.175 8.175 7.789 0.386 RESID 192 (K): N 118.771 118.771 119.321 -0.550 RESID 192 (K): HA 4.211 4.211 4.077 0.134 RESID 192 (K): C 178.933 178.933 179.019 -0.086 RESID 192 (K): CA 58.020 58.020 59.203 -1.183 RESID 192 (K): CB 31.710 31.710 32.295 -0.585 RESID 192 (K): H 7.720 7.720 7.914 -0.194 RESID 193 (V): N 121.979 121.979 120.128 1.851 RESID 193 (V): HA 3.537 3.537 3.690 -0.153 RESID 193 (V): C 176.912 176.912 178.152 -1.240 RESID 193 (V): CA 66.974 66.974 66.773 0.201 RESID 193 (V): CB 31.451 31.451 31.487 -0.036 RESID 193 (V): H 8.336 8.336 7.572 0.764 RESID 194 (D): N 121.596 121.596 119.419 2.177 RESID 194 (D): HA 4.396 4.396 4.375 0.021 RESID 194 (D): C 178.097 178.097 178.374 -0.277 RESID 194 (D): CA 57.899 57.899 57.157 0.742 RESID 194 (D): CB 41.740 41.740 40.240 1.500 RESID 194 (D): H 8.588 8.588 7.809 0.779 RESID 195 (A): N 119.998 119.998 122.088 -2.090 RESID 195 (A): HA 4.101 4.101 4.211 -0.110 RESID 195 (A): C 180.638 180.638 179.952 0.686 RESID 195 (A): CA 55.393 55.393 54.926 0.467 RESID 195 (A): CB 17.915 17.915 18.404 -0.489 RESID 195 (A): H 7.834 7.834 7.430 0.404 RESID 196 (A): N 121.520 121.520 121.594 -0.074 RESID 196 (A): HA 4.043 4.043 4.102 -0.059 RESID 196 (A): C 178.986 178.986 179.550 -0.564 RESID 196 (A): CA 54.730 54.730 54.678 0.052 RESID 196 (A): CB 19.220 19.220 18.158 1.062 RESID 196 (A): H 8.198 8.198 8.288 -0.090 RESID 197 (F): N 120.035 120.035 118.501 1.534 RESID 197 (F): HA 3.861 3.861 4.233 -0.372 RESID 197 (F): C 176.055 176.055 177.462 -1.407 RESID 197 (F): CA 61.833 61.833 61.475 0.358 RESID 197 (F): CB 39.090 39.090 39.122 -0.032 RESID 197 (F): H 9.092 9.092 8.096 0.996 RESID 198 (K): N 118.265 118.265 118.820 -0.555 RESID 198 (K): HA 3.815 3.815 3.928 -0.113 RESID 198 (K): C 180.112 180.112 178.458 1.654 RESID 198 (K): CA 59.826 59.826 60.208 -0.382 RESID 198 (K): CB 32.347 32.347 32.477 -0.131 RESID 198 (K): H 7.863 7.863 8.008 -0.145 RESID 199 (V): N 119.799 119.799 118.131 1.668 RESID 199 (V): HA 3.623 3.623 3.751 -0.128 RESID 199 (V): C 178.666 178.666 177.408 1.258 RESID 199 (V): CA 66.074 66.074 65.699 0.375 RESID 199 (V): CB 31.831 31.831 31.257 0.574 RESID 199 (V): H 7.580 7.580 7.985 -0.405 RESID 200 (A): N 125.339 125.339 120.261 5.078 RESID 200 (A): HA 3.635 3.635 4.213 -0.578 RESID 200 (A): C 178.388 178.388 177.825 0.563 RESID 200 (A): CA 54.843 54.843 53.710 1.133 RESID 200 (A): CB 18.830 18.830 18.298 0.532 RESID 200 (A): H 8.166 8.166 7.244 0.922 RESID 201 (A): N 120.805 120.805 121.807 -1.002 RESID 201 (A): HA 4.000 4.000 4.192 -0.192 RESID 201 (A): C 180.740 180.740 179.477 1.263 RESID 201 (A): CA 54.550 54.550 54.550 0.000 RESID 201 (A): CB 18.124 18.124 19.336 -1.212 RESID 201 (A): H 7.386 7.386 7.932 -0.546 RESID 202 (T): N 114.816 114.816 113.924 0.892 RESID 202 (T): HA 4.200 4.200 4.017 0.183 RESID 202 (T): C 175.840 175.840 176.082 -0.242 RESID 202 (T): CA 60.920 60.920 66.183 -5.263 RESID 202 (T): CB 62.070 62.070 68.835 -6.765 RESID 202 (T): H 8.322 8.322 8.453 -0.131 RESID 203 (A): N 124.550 124.550 123.973 0.577 RESID 203 (A): HA 3.989 3.989 4.054 -0.065 RESID 203 (A): C 180.575 180.575 178.529 2.046 RESID 203 (A): CA 55.042 55.042 54.768 0.274 RESID 203 (A): CB 17.675 17.675 18.076 -0.401 RESID 203 (A): H 7.592 7.592 7.969 -0.377 RESID 204 (A): N 121.361 121.361 119.107 2.254 RESID 204 (A): HA 4.187 4.187 3.995 0.192 RESID 204 (A): C 179.867 179.867 179.266 0.601 RESID 204 (A): CA 55.224 55.224 53.564 1.660 RESID 204 (A): CB 18.791 18.791 18.842 -0.051 RESID 204 (A): H 8.758 8.758 7.787 0.971 RESID 205 (N): N 115.185 115.185 118.764 -3.579 RESID 205 (N): HA 4.189 4.189 4.326 -0.137 RESID 205 (N): C 175.555 175.555 176.565 -1.010 RESID 205 (N): CA 56.410 56.410 55.266 1.144 RESID 205 (N): CB 39.066 39.066 38.199 0.867 RESID 205 (N): H 8.220 8.220 7.965 0.255 RESID 206 (A): N 117.946 117.946 120.010 -2.064 RESID 206 (A): HA 4.270 4.270 4.163 0.107 RESID 206 (A): C 176.827 176.827 176.877 -0.050 RESID 206 (A): CA 56.138 56.138 52.840 3.298 RESID 206 (A): CB 18.200 18.200 18.856 -0.656 RESID 206 (A): H 6.965 6.965 7.734 -0.769 RESID 207 (A): N 122.916 122.916 121.555 1.361 RESID 207 (A): HA 4.600 4.600 4.667 -0.067 RESID 207 (A): C 174.478 174.478 174.630 -0.152 RESID 207 (A): CA 50.196 50.196 49.107 1.089 RESID 207 (A): CB 18.287 18.287 19.093 -0.806 RESID 207 (A): H 7.240 7.240 7.263 -0.023 RESID 208 (P): HA 4.373 4.373 4.264 0.109 RESID 208 (P): C 177.440 177.440 176.539 0.901 RESID 208 (P): CA 62.600 62.600 62.976 -0.376 RESID 208 (P): CB 32.243 32.243 32.492 -0.249 RESID 209 (A): N 122.883 122.883 122.250 0.633 RESID 209 (A): HA 3.726 3.726 3.584 0.142 RESID 209 (A): C 179.474 179.474 177.414 2.060 RESID 209 (A): CA 56.155 56.155 53.978 2.176 RESID 209 (A): CB 19.099 19.099 18.658 0.441 RESID 209 (A): H 8.620 8.620 8.213 0.407 RESID 210 (N): N 113.093 113.093 117.946 -4.853 RESID 210 (N): HA 4.519 4.519 4.578 -0.059 RESID 210 (N): C 176.000 176.000 175.356 0.644 RESID 210 (N): CA 55.226 55.226 54.243 0.983 RESID 210 (N): CB 38.057 38.057 38.344 -0.287 RESID 210 (N): H 8.933 8.933 8.124 0.809 RESID 211 (D): N 117.648 117.648 114.443 3.205 RESID 211 (D): HA 5.050 5.050 4.424 0.626 RESID 211 (D): C 175.953 175.953 176.238 -0.285 RESID 211 (D): CA 54.110 54.110 55.528 -1.418 RESID 211 (D): CB 42.936 42.936 39.163 3.773 RESID 211 (D): H 8.111 8.111 8.726 -0.615 RESID 212 (K): N 118.713 118.713 117.535 1.178 RESID 212 (K): HA 3.324 3.324 4.176 -0.852 RESID 212 (K): C 177.524 177.524 177.244 0.280 RESID 212 (K): CA 61.984 61.984 57.567 4.417 RESID 212 (K): CB 32.789 32.789 32.813 -0.024 RESID 212 (K): H 7.145 7.145 8.468 -1.323 RESID 213 (F): N 113.700 113.700 119.134 -5.434 RESID 213 (F): HA 4.087 4.087 4.221 -0.134 RESID 213 (F): C 178.141 178.141 177.590 0.551 RESID 213 (F): CA 62.473 62.473 61.995 0.478 RESID 213 (F): CB 38.303 38.303 38.081 0.222 RESID 213 (F): H 8.026 8.026 8.422 -0.396 RESID 214 (T): N 115.378 115.378 115.632 -0.254 RESID 214 (T): C 178.124 178.124 176.676 1.448 RESID 214 (T): CA 65.503 65.503 67.072 -1.569 RESID 214 (T): CB 68.803 68.803 68.487 0.316 RESID 214 (T): H 7.917 7.917 8.316 -0.399 RESID 215 (V): N 122.692 122.692 121.014 1.678 RESID 215 (V): HA 3.659 3.659 3.641 0.018 RESID 215 (V): C 177.771 177.771 177.373 0.398 RESID 215 (V): CA 66.361 66.361 65.952 0.409 RESID 215 (V): CB 31.360 31.360 31.651 -0.291 RESID 215 (V): H 8.430 8.430 7.708 0.722 RESID 216 (F): N 119.847 119.847 121.033 -1.186 RESID 216 (F): HA 3.799 3.799 4.003 -0.204 RESID 216 (F): C 176.989 176.989 177.452 -0.463 RESID 216 (F): CA 62.705 62.705 61.947 0.758 RESID 216 (F): CB 39.327 39.327 39.090 0.237 RESID 216 (F): H 8.651 8.651 7.770 0.881 RESID 217 (E): N 117.144 117.144 119.624 -2.480 RESID 217 (E): HA 3.863 3.863 4.134 -0.271 RESID 217 (E): C 177.894 177.894 179.077 -1.183 RESID 217 (E): CA 61.877 61.877 59.214 2.663 RESID 217 (E): CB 30.062 30.062 29.269 0.793 RESID 217 (E): H 8.650 8.650 9.126 -0.476 RESID 218 (A): N 119.130 119.130 122.406 -3.276 RESID 218 (A): HA 4.213 4.213 4.212 0.001 RESID 218 (A): C 180.238 180.238 179.445 0.793 RESID 218 (A): CA 55.118 55.118 54.887 0.231 RESID 218 (A): CB 18.020 18.020 18.239 -0.219 RESID 218 (A): H 7.759 7.759 7.755 0.004 RESID 219 (A): N 119.419 119.419 121.570 -2.151 RESID 219 (A): HA 4.146 4.146 3.993 0.153 RESID 219 (A): C 180.499 180.499 179.508 0.991 RESID 219 (A): CA 54.530 54.530 54.487 0.043 RESID 219 (A): CB 18.890 18.890 18.607 0.283 RESID 219 (A): H 8.475 8.475 8.199 0.276 RESID 220 (F): N 120.754 120.754 118.850 1.904 RESID 220 (F): HA 4.196 4.196 3.908 0.288 RESID 220 (F): C 177.427 177.427 176.960 0.467 RESID 220 (F): CA 58.832 58.832 61.624 -2.792 RESID 220 (F): CB 39.740 39.740 38.371 1.369 RESID 220 (F): H 9.026 9.026 8.682 0.344 RESID 221 (N): N 116.941 116.941 116.146 0.795 RESID 221 (N): HA 4.390 4.390 4.376 0.014 RESID 221 (N): CA 56.230 56.230 55.462 0.768 RESID 221 (N): CB 37.995 37.995 38.620 -0.625 RESID 221 (N): H 8.485 8.485 7.715 0.770 RESID 222 (D): N 119.493 119.493 120.603 -1.110 RESID 222 (D): HA 4.366 4.366 4.497 -0.131 RESID 222 (D): C 178.832 178.832 178.024 0.808 RESID 222 (D): CA 57.697 57.697 57.153 0.544 RESID 222 (D): CB 40.537 40.537 40.914 -0.377 RESID 222 (D): H 8.283 8.283 8.172 0.111 RESID 223 (A): N 122.201 122.201 121.593 0.608 RESID 223 (A): HA 4.138 4.138 4.038 0.100 RESID 223 (A): CA 54.892 54.892 54.719 0.173 RESID 223 (A): CB 18.251 18.251 18.136 0.115 RESID 223 (A): H 8.175 8.175 8.289 -0.114 RESID 224 (I): N 122.960 122.960 116.659 6.301 RESID 224 (I): HA 3.396 3.396 3.718 -0.322 RESID 224 (I): C 178.030 178.030 177.902 0.128 RESID 224 (I): CA 65.320 65.320 63.390 1.930 RESID 224 (I): CB 38.150 38.150 38.090 0.060 RESID 224 (I): H 8.525 8.525 7.215 1.310 RESID 225 (K): N 124.150 124.150 121.624 2.526 RESID 225 (K): HA 4.130 4.130 3.958 0.172 RESID 225 (K): C 179.190 179.190 178.863 0.327 RESID 225 (K): CA 58.594 58.594 59.483 -0.889 RESID 225 (K): CB 32.489 32.489 32.518 -0.029 RESID 225 (K): H 8.457 8.457 7.787 0.670 RESID 226 (A): N 119.804 119.804 119.755 0.049 RESID 226 (A): HA 4.128 4.128 4.042 0.086 RESID 226 (A): C 181.843 181.843 179.425 2.418 RESID 226 (A): CA 55.012 55.012 55.107 -0.095 RESID 226 (A): CB 18.473 18.473 18.413 0.060 RESID 226 (A): H 8.191 8.191 8.502 -0.311 RESID 227 (S): N 113.402 113.402 112.970 0.432 RESID 227 (S): HA 4.350 4.350 4.175 0.175 RESID 227 (S): C 176.071 176.071 176.421 -0.350 RESID 227 (S): CA 61.259 61.259 60.726 0.533 RESID 227 (S): CB 63.414 63.414 63.125 0.289 RESID 227 (S): H 8.568 8.568 7.888 0.680 RESID 228 (T): N 109.170 109.170 110.347 -1.177 RESID 228 (T): HA 4.605 4.605 4.321 0.284 RESID 228 (T): CA 61.453 61.453 63.015 -1.562 RESID 228 (T): CB 69.732 69.732 69.537 0.195 RESID 228 (T): H 7.804 7.804 7.876 -0.072 RESID 229 (G): N 113.451 113.451 110.282 3.169 RESID 229 (G): C 178.132 178.132 174.344 3.788 RESID 229 (G): CA 47.149 47.149 45.452 1.697 RESID 229 (G): H 7.988 7.988 8.007 -0.019 RESID 230 (G): N 105.298 105.298 110.670 -5.372 RESID 230 (G): C 173.856 173.856 173.815 0.041 RESID 230 (G): CA 44.492 44.492 45.102 -0.610 RESID 230 (G): H 8.792 8.792 7.834 0.958 RESID 231 (A): N 122.893 122.893 124.063 -1.170 RESID 231 (A): HA 3.777 3.777 4.014 -0.237 RESID 231 (A): C 177.041 177.041 177.425 -0.384 RESID 231 (A): CA 54.513 54.513 52.255 2.258 RESID 231 (A): CB 18.998 18.998 18.451 0.546 RESID 231 (A): H 7.467 7.467 7.778 -0.311 RESID 232 (Y): N 112.629 112.629 115.640 -3.011 RESID 232 (Y): HA 4.396 4.396 4.022 0.374 RESID 232 (Y): C 174.659 174.659 175.144 -0.485 RESID 232 (Y): CA 55.932 55.932 59.955 -4.023 RESID 232 (Y): CB 39.848 39.848 36.592 3.256 RESID 232 (Y): H 7.332 7.332 8.317 -0.985 RESID 233 (E): N 117.684 117.684 119.972 -2.288 RESID 233 (E): HA 3.790 3.790 3.889 -0.099 RESID 233 (E): C 174.348 174.348 175.339 -0.991 RESID 233 (E): CA 57.064 57.064 57.746 -0.682 RESID 233 (E): CB 30.734 30.734 28.336 2.398 RESID 233 (E): H 7.995 7.995 8.305 -0.310 RESID 234 (S): N 107.099 107.099 111.887 -4.788 RESID 234 (S): HA 4.495 4.495 4.373 0.122 RESID 234 (S): C 175.141 175.141 173.192 1.949 RESID 234 (S): CA 55.872 55.872 56.855 -0.983 RESID 234 (S): CB 64.988 64.988 64.404 0.584 RESID 234 (S): H 7.318 7.318 7.688 -0.370 RESID 235 (Y): N 119.162 119.162 121.002 -1.840 RESID 235 (Y): HA 4.093 4.093 4.787 -0.694 RESID 235 (Y): C 175.305 175.305 174.571 0.734 RESID 235 (Y): CA 59.694 59.694 57.622 2.072 RESID 235 (Y): CB 37.650 37.650 35.732 1.918 RESID 235 (Y): H 8.629 8.629 7.905 0.724 RESID 236 (K): N 118.163 118.163 120.693 -2.530 RESID 236 (K): HA 3.573 3.573 4.521 -0.948 RESID 236 (K): C 176.427 176.427 176.951 -0.524 RESID 236 (K): CA 58.000 58.000 55.896 2.104 RESID 236 (K): CB 31.520 31.520 33.775 -2.255 RESID 236 (K): H 7.384 7.384 8.679 -1.295 RESID 237 (F): N 115.377 115.377 117.255 -1.878 RESID 237 (F): HA 4.433 4.433 3.153 1.280 RESID 237 (F): C 174.114 174.114 174.973 -0.859 RESID 237 (F): CA 57.852 57.852 59.199 -1.347 RESID 237 (F): CB 39.745 39.745 38.075 1.670 RESID 237 (F): H 7.258 7.258 7.692 -0.434 RESID 238 (I): N 120.764 120.764 118.250 2.514 RESID 238 (I): HA 4.409 4.409 4.139 0.270 RESID 238 (I): CA 58.300 58.300 57.417 0.883 RESID 238 (I): CB 38.600 38.600 39.972 -1.372 RESID 238 (I): H 7.389 7.389 6.677 0.712 RESID 239 (P): HA 4.306 4.306 4.250 0.056 RESID 239 (P): C 178.950 178.950 177.264 1.686 RESID 239 (P): CA 66.670 66.670 63.708 2.962 RESID 239 (P): CB 32.190 32.190 31.769 0.421 RESID 240 (A): N 118.854 118.854 121.763 -2.909 RESID 240 (A): HA 4.134 4.134 3.905 0.229 RESID 240 (A): CA 55.031 55.031 54.197 0.834 RESID 240 (A): CB 18.841 18.841 17.439 1.402 RESID 240 (A): H 9.101 9.101 8.593 0.508 RESID 241 (L): N 118.846 118.846 122.139 -3.293 RESID 241 (L): HA 4.250 4.250 3.977 0.273 RESID 241 (L): C 177.407 177.407 178.864 -1.457 RESID 241 (L): CA 56.333 56.333 57.577 -1.244 RESID 241 (L): CB 42.390 42.390 41.740 0.650 RESID 241 (L): H 7.731 7.731 7.901 -0.170 RESID 242 (E): N 122.048 122.048 119.492 2.556 RESID 242 (E): HA 3.961 3.961 4.085 -0.124 RESID 242 (E): C 178.465 178.465 178.170 0.295 RESID 242 (E): CA 60.820 60.820 59.680 1.140 RESID 242 (E): CB 28.886 28.886 29.389 -0.503 RESID 242 (E): H 8.705 8.705 8.643 0.062 RESID 243 (A): N 118.880 118.880 121.190 -2.310 RESID 243 (A): HA 4.038 4.038 4.390 -0.352 RESID 243 (A): C 179.841 179.841 179.296 0.545 RESID 243 (A): CA 54.930 54.930 54.165 0.765 RESID 243 (A): CB 17.700 17.700 18.630 -0.930 RESID 243 (A): H 8.105 8.105 7.819 0.286 RESID 244 (A): N 121.399 121.399 121.562 -0.163 RESID 244 (A): HA 4.037 4.037 4.007 0.030 RESID 244 (A): C 179.839 179.839 179.530 0.309 RESID 244 (A): CA 55.418 55.418 55.125 0.293 RESID 244 (A): H 7.491 7.491 8.354 -0.863 RESID 245 (V): N 120.239 120.239 118.136 2.103 RESID 245 (V): HA 3.382 3.382 3.612 -0.230 RESID 245 (V): C 177.909 177.909 177.980 -0.071 RESID 245 (V): CA 67.163 67.163 66.404 0.759 RESID 245 (V): CB 31.790 31.790 31.125 0.665 RESID 245 (V): H 8.612 8.612 7.553 1.059 RESID 246 (K): N 119.270 119.270 118.699 0.571 RESID 246 (K): HA 4.165 4.165 3.956 0.209 RESID 246 (K): C 180.603 180.603 179.362 1.241 RESID 246 (K): CA 60.553 60.553 59.279 1.274 RESID 246 (K): CB 31.828 31.828 31.695 0.133 RESID 246 (K): H 8.366 8.366 7.414 0.952 RESID 247 (Q): N 120.085 120.085 118.506 1.579 RESID 247 (Q): HA 4.055 4.055 4.104 -0.049 RESID 247 (Q): C 178.255 178.255 178.280 -0.025 RESID 247 (Q): CA 58.524 58.524 58.530 -0.006 RESID 247 (Q): CB 28.234 28.234 28.599 -0.365 RESID 247 (Q): H 8.302 8.302 7.567 0.735 RESID 248 (A): N 125.463 125.463 122.568 2.895 RESID 248 (A): HA 3.877 3.877 4.058 -0.181 RESID 248 (A): C 179.700 179.700 180.362 -0.662 RESID 248 (A): CA 55.253 55.253 54.888 0.365 RESID 248 (A): CB 18.658 18.658 18.183 0.475 RESID 248 (A): H 8.194 8.194 7.507 0.687 RESID 249 (Y): N 116.381 116.381 116.742 -0.361 RESID 249 (Y): HA 4.300 4.300 4.491 -0.191 RESID 249 (Y): C 180.993 180.993 176.625 4.368 RESID 249 (Y): CA 63.361 63.361 60.297 3.064 RESID 249 (Y): CB 38.068 38.068 38.116 -0.048 RESID 249 (Y): H 8.686 8.686 8.368 0.318 RESID 250 (A): N 124.956 124.956 120.537 4.419 RESID 250 (A): HA 4.161 4.161 4.300 -0.139 RESID 250 (A): C 179.621 179.621 178.027 1.594 RESID 250 (A): CA 55.220 55.220 53.034 2.186 RESID 250 (A): CB 17.500 17.500 18.754 -1.254 RESID 250 (A): H 8.448 8.448 7.490 0.958 RESID 251 (A): N 119.409 119.409 119.631 -0.222 RESID 251 (A): HA 4.163 4.163 4.395 -0.232 RESID 251 (A): C 178.588 178.588 175.959 2.629 RESID 251 (A): CA 55.206 55.206 52.367 2.839 RESID 251 (A): CB 17.804 17.804 19.637 -1.833 RESID 251 (A): H 7.649 7.649 7.734 -0.085 RESID 252 (T): N 106.194 106.194 108.584 -2.390 RESID 252 (T): HA 4.392 4.392 4.420 -0.028 RESID 252 (T): C 176.679 176.679 173.603 3.076 RESID 252 (T): CA 62.376 62.376 61.500 0.876 RESID 252 (T): CB 70.838 70.838 70.628 0.210 RESID 252 (T): H 7.806 7.806 7.162 0.644 RESID 253 (V): N 121.805 121.805 124.104 -2.299 RESID 253 (V): HA 3.754 3.754 4.063 -0.309 RESID 253 (V): C 176.213 176.213 174.878 1.335 RESID 253 (V): CA 65.339 65.339 64.660 0.679 RESID 253 (V): CB 31.971 31.971 31.663 0.308 RESID 253 (V): H 7.173 7.173 8.506 -1.333 RESID 254 (A): N 122.834 122.834 123.845 -1.011 RESID 254 (A): HA 4.457 4.457 4.450 0.007 RESID 254 (A): C 177.007 177.007 177.265 -0.258 RESID 254 (A): CA 51.859 51.859 51.822 0.037 RESID 254 (A): CB 18.494 18.494 19.645 -1.151 RESID 254 (A): H 8.542 8.542 8.169 0.373 RESID 255 (T): N 114.241 114.241 116.332 -2.091 RESID 255 (T): HA 4.222 4.222 3.967 0.255 RESID 255 (T): C 173.687 173.687 174.193 -0.506 RESID 255 (T): CA 62.138 62.138 62.959 -0.821 RESID 255 (T): CB 70.584 70.584 69.645 0.939 RESID 255 (T): H 7.469 7.469 7.999 -0.530 RESID 256 (A): N 128.290 128.290 127.759 0.531 RESID 256 (A): HA 4.515 4.515 4.123 0.392 RESID 256 (A): C 176.782 176.782 176.058 0.724 RESID 256 (A): CA 51.165 51.165 50.776 0.389 RESID 256 (A): CB 17.596 17.596 18.566 -0.970 RESID 256 (A): H 8.625 8.625 8.397 0.228 RESID 257 (P): HA 4.089 4.089 4.199 -0.110 RESID 257 (P): C 178.670 178.670 176.096 2.574 RESID 257 (P): CA 66.250 66.250 64.469 1.780 RESID 257 (P): CB 32.400 32.400 30.140 2.260 RESID 258 (E): N 115.538 115.538 122.963 -7.425 RESID 258 (E): HA 4.205 4.205 4.400 -0.195 RESID 258 (E): C 177.484 177.484 176.400 1.084 RESID 258 (E): CA 59.489 59.489 57.097 2.392 RESID 258 (E): CB 28.896 28.896 31.416 -2.519 RESID 258 (E): H 9.711 9.711 8.617 1.094 RESID 259 (V): N 113.043 113.043 114.743 -1.700 RESID 259 (V): HA 4.641 4.641 4.635 0.006 RESID 259 (V): C 175.536 175.536 176.003 -0.467 RESID 259 (V): CA 61.065 61.065 61.194 -0.129 RESID 259 (V): CB 32.652 32.652 32.116 0.536 RESID 259 (V): H 7.765 7.765 7.646 0.119 RESID 260 (K): N 121.849 121.849 123.684 -1.835 RESID 260 (K): HA 3.769 3.769 3.885 -0.116 RESID 260 (K): C 177.750 177.750 177.819 -0.069 RESID 260 (K): CA 61.507 61.507 59.915 1.592 RESID 260 (K): CB 34.189 34.189 32.015 2.174 RESID 260 (K): H 7.415 7.415 8.587 -1.172 RESID 261 (Y): N 117.222 117.222 115.712 1.510 RESID 261 (Y): HA 3.803 3.803 4.385 -0.582 RESID 261 (Y): C 176.020 176.020 178.116 -2.096 RESID 261 (Y): CA 62.761 62.761 60.816 1.945 RESID 261 (Y): CB 36.982 36.982 37.890 -0.908 RESID 261 (Y): H 8.942 8.942 7.950 0.992 RESID 262 (T): N 115.869 115.869 117.524 -1.655 RESID 262 (T): HA 4.136 4.136 3.970 0.166 RESID 262 (T): C 177.136 177.136 176.546 0.590 RESID 262 (T): CA 68.855 68.855 67.207 1.648 RESID 262 (T): CB 66.818 66.818 68.227 -1.409 RESID 262 (T): H 7.822 7.822 8.191 -0.369 RESID 263 (V): N 123.471 123.471 121.230 2.241 RESID 263 (V): HA 3.507 3.507 3.625 -0.118 RESID 263 (V): C 178.020 178.020 177.415 0.605 RESID 263 (V): CA 67.000 67.000 67.213 -0.213 RESID 263 (V): CB 31.699 31.699 31.593 0.106 RESID 263 (V): H 8.051 8.051 8.625 -0.574 RESID 264 (F): N 123.178 123.178 119.995 3.183 RESID 264 (F): HA 3.812 3.812 4.028 -0.216 RESID 264 (F): C 175.217 175.217 177.472 -2.255 RESID 264 (F): CA 60.720 60.720 61.293 -0.573 RESID 264 (F): CB 39.637 39.637 38.920 0.717 RESID 264 (F): H 8.047 8.047 7.473 0.574 RESID 265 (E): N 120.524 120.524 119.088 1.436 RESID 265 (E): HA 2.959 2.959 4.205 -1.246 RESID 265 (E): C 178.300 178.300 178.838 -0.538 RESID 265 (E): CA 59.854 59.854 59.669 0.185 RESID 265 (E): CB 30.318 30.318 30.024 0.294 RESID 265 (E): H 8.830 8.830 8.447 0.383 RESID 266 (T): N 114.371 114.371 117.310 -2.939 RESID 266 (T): HA 3.694 3.694 4.029 -0.335 RESID 266 (T): C 176.020 176.020 176.458 -0.438 RESID 266 (T): CA 66.645 66.645 66.606 0.039 RESID 266 (T): CB 68.704 68.704 68.507 0.197 RESID 266 (T): H 7.978 7.978 8.699 -0.721 RESID 267 (A): N 124.070 124.070 124.035 0.035 RESID 267 (A): HA 3.899 3.899 4.090 -0.191 RESID 267 (A): C 180.615 180.615 179.340 1.275 RESID 267 (A): CA 54.950 54.950 55.180 -0.230 RESID 267 (A): CB 17.668 17.668 18.020 -0.352 RESID 267 (A): H 7.908 7.908 8.677 -0.769 RESID 268 (L): N 121.494 121.494 118.804 2.690 RESID 268 (L): HA 3.716 3.716 3.870 -0.154 RESID 268 (L): C 177.403 177.403 178.831 -1.428 RESID 268 (L): CA 57.095 57.095 57.835 -0.740 RESID 268 (L): CB 35.715 35.715 40.862 -5.147 RESID 268 (L): H 8.499 8.499 7.489 1.010 RESID 269 (K): N 118.900 118.900 120.090 -1.190 RESID 269 (K): HA 2.946 2.946 3.717 -0.771 RESID 269 (K): C 179.440 179.440 178.929 0.511 RESID 269 (K): CA 59.500 59.500 60.159 -0.659 RESID 269 (K): CB 31.880 31.880 32.219 -0.339 RESID 269 (K): H 7.678 7.678 7.739 -0.061 RESID 270 (K): N 118.900 118.900 119.232 -0.332 RESID 270 (K): HA 3.814 3.814 4.061 -0.247 RESID 270 (K): C 178.960 178.960 179.089 -0.129 RESID 270 (K): CA 59.770 59.770 59.060 0.710 RESID 270 (K): CB 32.330 32.330 31.925 0.405 RESID 270 (K): H 7.678 7.678 7.979 -0.301 RESID 271 (A): N 122.628 122.628 122.426 0.202 RESID 271 (A): HA 4.078 4.078 4.068 0.010 RESID 271 (A): C 180.707 180.707 179.796 0.911 RESID 271 (A): CA 54.835 54.835 55.082 -0.247 RESID 271 (A): CB 18.694 18.694 18.148 0.546 RESID 271 (A): H 7.699 7.699 7.932 -0.233 RESID 272 (I): N 120.190 120.190 118.510 1.680 RESID 272 (I): HA 3.616 3.616 3.599 0.017 RESID 272 (I): C 178.458 178.458 178.027 0.431 RESID 272 (I): CA 65.296 65.296 65.098 0.198 RESID 272 (I): CB 37.724 37.724 37.853 -0.129 RESID 272 (I): H 8.519 8.519 8.357 0.162 RESID 273 (T): N 118.748 118.748 113.746 5.002 RESID 273 (T): HA 4.227 4.227 3.910 0.317 RESID 273 (T): C 176.122 176.122 176.395 -0.273 RESID 273 (T): CA 68.686 68.686 66.228 2.458 RESID 273 (T): CB 67.031 67.031 68.467 -1.436 RESID 273 (T): H 8.329 8.329 8.202 0.127 RESID 274 (A): N 122.829 122.829 124.915 -2.086 RESID 274 (A): HA 4.120 4.120 4.002 0.118 RESID 274 (A): C 180.580 180.580 179.525 1.055 RESID 274 (A): CA 55.013 55.013 54.960 0.053 RESID 274 (A): CB 17.770 17.770 18.393 -0.623 RESID 274 (A): H 7.841 7.841 8.176 -0.335 RESID 275 (M): N 118.352 118.352 115.842 2.510 RESID 275 (M): HA 4.082 4.082 4.130 -0.048 RESID 275 (M): C 178.226 178.226 178.002 0.224 RESID 275 (M): CA 59.240 59.240 58.724 0.516 RESID 275 (M): CB 33.624 33.624 32.622 1.002 RESID 275 (M): H 7.886 7.886 8.109 -0.223 RESID 276 (S): N 115.242 115.242 115.757 -0.515 RESID 276 (S): HA 4.100 4.100 4.300 -0.200 RESID 276 (S): C 176.687 176.687 177.080 -0.393 RESID 276 (S): CA 60.920 60.920 60.906 0.014 RESID 276 (S): CB 62.763 62.763 63.177 -0.414 RESID 276 (S): H 8.154 8.154 7.902 0.252 RESID 277 (E): N 120.950 120.950 122.442 -1.492 RESID 277 (E): HA 3.990 3.990 4.073 -0.083 RESID 277 (E): C 178.562 178.562 178.784 -0.222 RESID 277 (E): CA 58.426 58.426 59.092 -0.666 RESID 277 (E): CB 29.510 29.510 29.672 -0.162 RESID 277 (E): H 8.336 8.336 8.393 -0.057 RESID 278 (A): N 121.655 121.655 121.282 0.373 RESID 278 (A): HA 4.137 4.137 4.143 -0.006 RESID 278 (A): C 179.412 179.412 179.414 -0.002 RESID 278 (A): CA 54.163 54.163 54.401 -0.238 RESID 278 (A): CB 18.234 18.234 18.192 0.042 RESID 278 (A): H 7.943 7.943 8.109 -0.166 RESID 279 (Q): N 116.951 116.951 118.773 -1.822 RESID 279 (Q): HA 4.138 4.138 4.036 0.102 RESID 279 (Q): C 177.164 177.164 177.611 -0.447 RESID 279 (Q): CA 56.987 56.987 58.403 -1.416 RESID 279 (Q): CB 28.602 28.602 28.444 0.158 RESID 279 (Q): H 7.791 7.791 7.633 0.158 RESID 280 (K): N 119.993 119.993 115.722 4.271 RESID 280 (K): HA 4.089 4.089 4.148 -0.059 RESID 280 (K): C 176.909 176.909 176.279 0.630 RESID 280 (K): CA 57.700 57.700 57.510 0.190 RESID 280 (K): CB 32.860 32.860 32.944 -0.083 RESID 280 (K): H 7.863 7.863 7.770 0.093 RESID 281 (A): N 122.367 122.367 120.114 2.253 RESID 281 (A): HA 4.206 4.206 4.491 -0.285 RESID 281 (A): C 177.375 177.375 175.229 2.146 RESID 281 (A): CA 52.474 52.474 51.805 0.669 RESID 281 (A): CB 19.140 19.140 21.485 -2.345 RESID 281 (A): H 7.841 7.841 7.401 0.440 RESID 282 (A): N 122.465 122.465 124.343 -1.878 RESID 282 (A): HA 4.211 4.211 4.297 -0.086 RESID 282 (A): C 177.333 177.333 177.608 -0.275 RESID 282 (A): CA 52.413 52.413 52.041 0.372 RESID 282 (A): CB 19.016 19.016 19.099 -0.083 RESID 282 (A): H 7.891 7.891 8.472 -0.581 RESID 283 (K): N 121.934 121.934 117.256 4.678 RESID 283 (K): HA 4.560 4.560 4.065 0.495 RESID 283 (K): C 181.141 181.141 174.113 7.028 RESID 283 (K): CA 54.069 54.069 55.758 -1.690 RESID 283 (K): CB 32.644 32.644 30.756 1.888 RESID 283 (K): H 8.140 8.140 8.238 -0.098 RESID 284 (P): HA 4.331 4.331 4.322 0.009 RESID 284 (P): C 172.250 172.250 177.578 -5.328 RESID 284 (P): CA 63.500 63.500 62.863 0.637 RESID 284 (P): CB 32.160 32.160 32.238 -0.078 N HA C CA CB H RESID 57 (G): -0.395 ----- -1.179 -0.710 ----- -0.064 RESID 58 (K): 2.349 0.037 0.845 -0.385 1.350 0.392 RESID 59 (A): 0.733 0.195 1.658 -0.418 1.768 0.385 RESID 60 (T): 3.518 -0.043 0.694 0.372 -0.456 0.579 RESID 61 (T): 3.496 -0.234 0.552 2.277 -0.832 0.546 RESID 62 (E): -0.672 -0.036 0.766 -0.245 -0.092 0.102 RESID 63 (E): 0.937 -0.186 -1.418 1.034 0.147 0.399 RESID 64 (Q): 0.783 -0.170 0.195 0.342 0.314 0.194 RESID 65 (K): -0.082 -0.065 -0.244 0.349 0.248 0.446 RESID 66 (L): -1.394 -0.011 0.653 0.443 -0.511 -0.343 RESID 67 (I): 1.552 0.076 -0.305 -0.553 0.399 -0.576 RESID 68 (E): 2.481 -0.054 3.437 1.393 -0.405 0.634 RESID 69 (K): 1.756 -0.060 1.739 1.621 0.876 0.657 RESID 70 (I): 2.993 0.076 2.628 0.062 -1.742 -0.098 RESID 71 (N): 2.680 0.380 1.315 -0.387 0.706 1.275 RESID 72 (A): 1.425 0.066 1.533 0.619 -0.591 0.723 RESID 73 (G): 3.024 ----- -1.997 0.285 ----- 0.775 RESID 74 (F): 2.535 -0.209 -0.433 3.122 1.400 0.662 RESID 75 (K): -0.456 -0.017 0.876 0.641 0.472 -0.116 RESID 76 (A): 1.444 -0.002 1.583 -0.113 -0.551 0.799 RESID 77 (A): 4.526 -0.328 -0.477 1.111 -1.067 0.883 RESID 78 (L): 2.250 0.313 1.446 0.355 1.156 -0.101 RESID 79 (A): 1.300 0.058 0.934 0.015 -0.564 -0.185 RESID 80 (A): 1.544 -0.111 2.663 0.963 0.345 0.836 RESID 81 (A): -0.795 0.391 1.032 0.370 0.012 1.162 RESID 82 (A): 0.664 -0.460 1.540 3.570 -2.471 0.664 RESID 83 (G): 21.755 ----- -0.124 -0.363 ----- -1.142 RESID 84 (V): -4.268 0.365 0.118 -1.282 0.909 -0.182 RESID 85 (Q): 0.053 -0.125 ----- 0.950 -1.513 0.389 RESID 86 (P): ----- 0.096 ----- -1.892 1.940 ----- RESID 87 (A): -7.788 -0.203 -0.345 1.069 -1.337 0.598 RESID 88 (D): -5.138 0.174 -0.204 -1.021 0.995 0.256 RESID 89 (K): 4.585 -0.472 -0.766 2.681 0.655 -0.542 RESID 90 (Y): -1.637 -0.627 -1.270 2.913 -0.976 1.111 RESID 91 (R): -0.302 0.005 0.942 0.400 -0.718 0.656 RESID 92 (T): -0.700 -0.120 0.279 -0.031 0.346 -0.769 RESID 93 (F): 4.781 -0.479 -1.088 0.376 1.244 1.559 RESID 94 (V): -0.128 -0.290 1.718 1.098 0.667 0.572 RESID 95 (A): 0.217 0.061 0.722 -0.166 -0.275 0.012 RESID 96 (T): 0.463 0.102 -0.029 2.844 -2.308 -0.437 RESID 97 (F): 0.840 -0.499 0.274 1.251 0.592 0.759 RESID 98 (G): 0.276 ----- 0.612 0.026 ----- 0.562 RESID 99 (A): -1.684 0.089 1.183 0.235 -0.377 -0.475 RESID 100 (A): 0.423 0.360 1.678 -0.414 -0.225 1.696 RESID 101 (S): 3.252 0.115 0.366 7.300 4.212 0.250 RESID 102 (N): ----- 0.000 ----- -0.088 -0.482 ----- RESID 103 (K): -0.122 -0.024 -0.824 0.015 0.012 -0.216 RESID 104 (A): -0.633 -0.144 0.072 -0.320 -0.022 0.233 RESID 105 (F): -1.170 0.058 0.182 -0.391 -0.038 -0.276 RESID 106 (A): 2.178 -0.088 ----- 0.034 0.029 -0.036 RESID 107 (E): 1.442 -0.298 -0.018 1.312 -0.452 0.117 RESID 108 (G): -0.417 ----- -0.159 -0.410 ----- -0.079 RESID 109 (L): -1.141 -0.096 2.429 0.795 1.268 0.275 RESID 110 (S): -2.899 -0.205 0.339 0.929 -1.849 0.167 RESID 111 (G): 1.739 ----- -0.323 -0.333 ----- -0.098 RESID 112 (E): 1.937 -0.020 ----- 0.141 -0.834 -0.078 RESID 113 (P): ----- 0.040 ----- 0.040 -0.061 ----- RESID 114 (K): -0.291 0.165 0.705 -0.241 0.836 0.266 RESID 115 (G): 1.430 ----- -0.088 -0.231 ----- 0.158 RESID 116 (A): 1.501 0.149 0.979 1.110 1.549 0.374 RESID 117 (A): 1.543 0.144 0.572 0.500 1.244 0.105 RESID 118 (E): 0.306 0.201 -1.094 -0.970 1.056 -0.455 RESID 119 (S): 1.849 0.325 -0.825 -2.490 0.817 0.082 RESID 120 (S): 2.925 0.149 0.063 -1.591 0.649 0.541 RESID 121 (S): 1.668 -0.012 0.214 -0.383 -0.161 1.039 RESID 122 (K): 2.651 -0.189 ----- 2.525 0.590 0.368 RESID 123 (A): 0.273 0.014 ----- -1.024 0.040 -0.444 RESID 124 (A): 0.553 -0.002 ----- -0.227 -0.072 0.228 RESID 125 (L): 2.348 -0.017 0.064 -0.082 -0.929 0.192 RESID 126 (T): -0.206 -0.129 -0.145 1.496 -1.835 -0.255 RESID 127 (S): -1.100 0.058 0.716 -0.306 -0.117 -0.739 RESID 128 (K): 0.308 0.001 1.655 0.715 0.213 0.278 RESID 129 (L): 0.651 -0.508 -2.441 -0.228 0.116 0.290 RESID 130 (D): -1.646 -0.336 0.190 0.583 0.779 0.090 RESID 131 (A): -3.292 -0.109 0.765 -0.013 -0.589 -0.064 RESID 132 (A): 2.158 -0.046 0.314 -0.003 -0.086 -0.741 RESID 133 (Y): -1.231 0.075 2.530 -4.389 -2.538 0.357 RESID 134 (K): 2.035 0.062 -0.134 1.004 0.260 0.267 RESID 135 (L): 1.095 0.132 2.110 0.328 0.279 0.444 RESID 136 (A): 3.531 -0.285 -1.265 1.211 -0.789 0.032 RESID 137 (Y): -1.896 1.437 -0.221 1.897 1.003 0.529 RESID 138 (K): -0.241 0.239 0.749 -0.065 0.067 0.665 RESID 139 (T): 4.411 0.150 0.837 3.654 -1.370 0.754 RESID 140 (A): 0.183 0.037 0.915 0.459 1.844 0.798 RESID 141 (E): 0.174 -0.149 -0.198 0.648 0.028 1.017 RESID 142 (G): -2.008 ----- -0.773 0.242 ----- 0.136 RESID 143 (A): 1.223 0.242 0.666 -1.467 0.710 -0.374 RESID 144 (T): -3.540 0.136 -0.264 -0.082 -2.025 0.010 RESID 145 (P): ----- -0.380 2.758 2.727 1.032 ----- RESID 146 (E): -1.800 -0.106 -0.624 1.649 -1.926 1.595 RESID 147 (A): 3.328 -0.029 0.812 -0.406 1.722 -0.144 RESID 148 (K): -0.906 -0.446 -0.010 2.388 1.077 -0.447 RESID 149 (Y): -0.825 -0.278 -2.390 0.594 -0.344 0.741 RESID 150 (D): -1.520 -0.524 0.716 0.243 0.145 0.515 RESID 152 (Y): ----- -0.468 -0.888 3.169 1.169 ----- RESID 153 (V): -2.174 -0.223 0.192 1.113 0.615 -0.057 RESID 154 (A): 0.121 -0.133 -2.831 -0.215 -0.072 -0.295 RESID 155 (T): -0.724 -0.256 0.822 0.513 -0.158 -0.852 RESID 156 (L): 0.613 -0.281 ----- -0.146 0.634 1.019 RESID 157 (S): -0.728 -0.253 0.867 1.219 -1.200 0.646 RESID 158 (E): -1.659 0.086 -0.486 -0.658 -0.269 -0.316 RESID 159 (A): -1.330 -0.059 1.116 0.314 0.177 0.137 RESID 160 (L): -3.080 -0.252 0.612 0.370 -0.897 0.770 RESID 161 (R): 2.251 -0.152 0.821 0.201 -0.251 -0.461 RESID 162 (I): 0.657 -0.130 2.352 0.356 -0.453 0.186 RESID 163 (I): ----- -0.163 ----- 0.767 0.470 ----- RESID 164 (A): 1.338 -0.246 1.121 0.627 -0.092 0.841 RESID 165 (G): 1.089 ----- 0.563 1.035 ----- 0.110 RESID 166 (T): 0.034 -0.125 0.004 0.403 -0.375 0.306 RESID 167 (L): -0.355 -0.078 0.573 -0.584 -0.305 -0.187 RESID 168 (E): 0.235 -0.153 0.413 0.382 -0.409 -0.103 RESID 169 (V): -1.456 -0.201 -0.206 -5.182 ----- -0.079 RESID 170 (H): -4.466 0.082 -0.980 -1.494 -0.809 0.198 RESID 171 (A): -1.076 -0.239 1.142 0.065 -1.348 -0.287 RESID 172 (V): 2.431 -0.384 1.356 0.923 -1.984 0.599 RESID 173 (K): -0.185 ----- -0.579 0.021 -0.646 0.082 RESID 174 (P): ----- -0.122 ----- -0.285 2.130 ----- RESID 175 (A): 1.744 -0.237 0.897 1.147 -0.643 0.229 RESID 176 (A): 1.282 0.010 0.725 -0.085 0.545 0.254 RESID 177 (E): -1.256 -0.217 0.893 -0.315 0.460 -0.684 RESID 178 (E): 3.042 -0.404 1.243 0.296 -1.795 0.228 RESID 179 (V): 3.037 -0.301 -0.012 -0.321 -0.067 -0.319 RESID 180 (K): 5.837 0.085 -0.750 -1.801 0.047 0.494 RESID 181 (V): 5.290 -0.239 1.719 0.756 -0.865 0.696 RESID 182 (I): 2.504 ----- -1.838 -2.290 0.758 0.058 RESID 183 (P): ----- -0.073 -0.330 -1.058 0.485 ----- RESID 184 (A): 4.467 -0.133 0.441 0.968 0.177 0.464 RESID 185 (G): 0.723 ----- 0.212 1.628 ----- 1.173 RESID 186 (E): 3.240 0.193 -0.644 -0.519 1.237 -0.523 RESID 187 (L): 1.384 0.005 -0.701 -0.312 0.326 0.857 RESID 188 (Q): -0.546 0.166 -0.570 -1.321 0.021 -0.342 RESID 189 (V): -1.510 -0.004 0.089 -0.250 0.218 0.343 RESID 190 (I): 0.834 -0.024 0.404 -0.131 -0.844 0.634 RESID 191 (E): 0.158 0.135 0.076 0.274 0.270 0.386 RESID 192 (K): -0.550 0.134 -0.086 -1.183 -0.585 -0.194 RESID 193 (V): 1.851 -0.153 -1.240 0.201 -0.036 0.764 RESID 194 (D): 2.177 0.021 -0.277 0.742 1.500 0.779 RESID 195 (A): -2.090 -0.110 0.686 0.467 -0.489 0.404 RESID 196 (A): -0.074 -0.059 -0.564 0.052 1.062 -0.090 RESID 197 (F): 1.534 -0.372 -1.407 0.358 -0.032 0.996 RESID 198 (K): -0.555 -0.113 1.654 -0.382 -0.131 -0.145 RESID 199 (V): 1.668 -0.128 1.258 0.375 0.574 -0.405 RESID 200 (A): 5.078 -0.578 0.563 1.133 0.532 0.922 RESID 201 (A): -1.002 -0.192 1.263 0.000 -1.212 -0.546 RESID 202 (T): 0.892 0.183 -0.242 -5.263 -6.765 -0.131 RESID 203 (A): 0.577 -0.065 2.046 0.274 -0.401 -0.377 RESID 204 (A): 2.254 0.192 0.601 1.660 -0.051 0.971 RESID 205 (N): -3.579 -0.137 -1.010 1.144 0.867 0.255 RESID 206 (A): -2.064 0.107 -0.050 3.298 -0.656 -0.769 RESID 207 (A): 1.361 -0.067 -0.152 1.089 -0.806 -0.023 RESID 208 (P): ----- 0.109 0.901 -0.376 -0.249 ----- RESID 209 (A): 0.633 0.142 2.060 2.176 0.441 0.407 RESID 210 (N): -4.853 -0.059 0.644 0.983 -0.287 0.809 RESID 211 (D): 3.205 0.626 -0.285 -1.418 3.773 -0.615 RESID 212 (K): 1.178 -0.852 0.280 4.417 -0.024 -1.323 RESID 213 (F): -5.434 -0.134 0.551 0.478 0.222 -0.396 RESID 214 (T): -0.254 ----- 1.448 -1.569 0.316 -0.399 RESID 215 (V): 1.678 0.018 0.398 0.409 -0.291 0.722 RESID 216 (F): -1.186 -0.204 -0.463 0.758 0.237 0.881 RESID 217 (E): -2.480 -0.271 -1.183 2.663 0.793 -0.476 RESID 218 (A): -3.276 0.001 0.793 0.231 -0.219 0.004 RESID 219 (A): -2.151 0.153 0.991 0.043 0.283 0.276 RESID 220 (F): 1.904 0.288 0.467 -2.792 1.369 0.344 RESID 221 (N): 0.795 0.014 ----- 0.768 -0.625 0.770 RESID 222 (D): -1.110 -0.131 0.808 0.544 -0.377 0.111 RESID 223 (A): 0.608 0.100 ----- 0.173 0.115 -0.114 RESID 224 (I): 6.301 -0.322 0.128 1.930 0.060 1.310 RESID 225 (K): 2.526 0.172 0.327 -0.889 -0.029 0.670 RESID 226 (A): 0.049 0.086 2.418 -0.095 0.060 -0.311 RESID 227 (S): 0.432 0.175 -0.350 0.533 0.289 0.680 RESID 228 (T): -1.177 0.284 ----- -1.562 0.195 -0.072 RESID 229 (G): 3.169 ----- 3.788 1.697 ----- -0.019 RESID 230 (G): -5.372 ----- 0.041 -0.610 ----- 0.958 RESID 231 (A): -1.170 -0.237 -0.384 2.258 0.546 -0.311 RESID 232 (Y): -3.011 0.374 -0.485 -4.023 3.256 -0.985 RESID 233 (E): -2.288 -0.099 -0.991 -0.682 2.398 -0.310 RESID 234 (S): -4.788 0.122 1.949 -0.983 0.584 -0.370 RESID 235 (Y): -1.840 -0.694 0.734 2.072 1.918 0.724 RESID 236 (K): -2.530 -0.948 -0.524 2.104 -2.255 -1.295 RESID 237 (F): -1.878 1.280 -0.859 -1.347 1.670 -0.434 RESID 238 (I): 2.514 0.270 ----- 0.883 -1.372 0.712 RESID 239 (P): ----- 0.056 1.686 2.962 0.421 ----- RESID 240 (A): -2.909 0.229 ----- 0.834 1.402 0.508 RESID 241 (L): -3.293 0.273 -1.457 -1.244 0.650 -0.170 RESID 242 (E): 2.556 -0.124 0.295 1.140 -0.503 0.062 RESID 243 (A): -2.310 -0.352 0.545 0.765 -0.930 0.286 RESID 244 (A): -0.163 0.030 0.309 0.293 ----- -0.863 RESID 245 (V): 2.103 -0.230 -0.071 0.759 0.665 1.059 RESID 246 (K): 0.571 0.209 1.241 1.274 0.133 0.952 RESID 247 (Q): 1.579 -0.049 -0.025 -0.006 -0.365 0.735 RESID 248 (A): 2.895 -0.181 -0.662 0.365 0.475 0.687 RESID 249 (Y): -0.361 -0.191 4.368 3.064 -0.048 0.318 RESID 250 (A): 4.419 -0.139 1.594 2.186 -1.254 0.958 RESID 251 (A): -0.222 -0.232 2.629 2.839 -1.833 -0.085 RESID 252 (T): -2.390 -0.028 3.076 0.876 0.210 0.644 RESID 253 (V): -2.299 -0.309 1.335 0.679 0.308 -1.333 RESID 254 (A): -1.011 0.007 -0.258 0.037 -1.151 0.373 RESID 255 (T): -2.091 0.255 -0.506 -0.821 0.939 -0.530 RESID 256 (A): 0.531 0.392 0.724 0.389 -0.970 0.228 RESID 257 (P): ----- -0.110 2.574 1.780 2.260 ----- RESID 258 (E): -7.425 -0.195 1.084 2.392 -2.519 1.094 RESID 259 (V): -1.700 0.006 -0.467 -0.129 0.536 0.119 RESID 260 (K): -1.835 -0.116 -0.069 1.592 2.174 -1.172 RESID 261 (Y): 1.510 -0.582 -2.096 1.945 -0.908 0.992 RESID 262 (T): -1.655 0.166 0.590 1.648 -1.409 -0.369 RESID 263 (V): 2.241 -0.118 0.605 -0.213 0.106 -0.574 RESID 264 (F): 3.183 -0.216 -2.255 -0.573 0.717 0.574 RESID 265 (E): 1.436 -1.246 -0.538 0.185 0.294 0.383 RESID 266 (T): -2.939 -0.335 -0.438 0.039 0.197 -0.721 RESID 267 (A): 0.035 -0.191 1.275 -0.230 -0.352 -0.769 RESID 268 (L): 2.690 -0.154 -1.428 -0.740 -5.147 1.010 RESID 269 (K): -1.190 -0.771 0.511 -0.659 -0.339 -0.061 RESID 270 (K): -0.332 -0.247 -0.129 0.710 0.405 -0.301 RESID 271 (A): 0.202 0.010 0.911 -0.247 0.546 -0.233 RESID 272 (I): 1.680 0.017 0.431 0.198 -0.129 0.162 RESID 273 (T): 5.002 0.317 -0.273 2.458 -1.436 0.127 RESID 274 (A): -2.086 0.118 1.055 0.053 -0.623 -0.335 RESID 275 (M): 2.510 -0.048 0.224 0.516 1.002 -0.223 RESID 276 (S): -0.515 -0.200 -0.393 0.014 -0.414 0.252 RESID 277 (E): -1.492 -0.083 -0.222 -0.666 -0.162 -0.057 RESID 278 (A): 0.373 -0.006 -0.002 -0.238 0.042 -0.166 RESID 279 (Q): -1.822 0.102 -0.447 -1.416 0.158 0.158 RESID 280 (K): 4.271 -0.059 0.630 0.190 -0.083 0.093 RESID 281 (A): 2.253 -0.285 2.146 0.669 -2.345 0.440 RESID 282 (A): -1.878 -0.086 -0.275 0.372 -0.083 -0.581 RESID 283 (K): 4.678 0.495 7.028 -1.690 1.888 -0.098 RESID 284 (P): ----- 0.009 -5.328 0.637 -0.078 ----- DATA CS_STAT_INFO N RMS: 2.797 ppm Count: 216 Average Difference: -0.382 +/- 2.778 ppm DATA CS_STAT_INFO HA RMS: 0.289 ppm Count: 233 Average Difference: 0.050 +/- 0.285 ppm DATA CS_STAT_INFO C RMS: 1.323 ppm Count: 211 Average Difference: -0.364 +/- 1.275 ppm DATA CS_STAT_INFO CA RMS: 1.463 ppm Count: 228 Average Difference: -0.360 +/- 1.421 ppm DATA CS_STAT_INFO CB RMS: 1.197 ppm Count: 214 Average Difference: 0.006 +/- 1.200 ppm DATA CS_STAT_INFO HN RMS: 0.595 ppm Count: 216 Average Difference: -0.178 +/- 0.569 ppm ############################################################################ For conformer 3: Atom Original Corrected SPARTA Difference RESID 56 (A): N 123.960 123.960 123.561 0.399 RESID 56 (A): HA 4.219 4.219 4.219 -0.000 RESID 56 (A): C 177.886 177.886 178.688 -0.802 RESID 56 (A): CA 52.782 52.782 52.882 -0.100 RESID 56 (A): CB 19.246 19.246 19.066 0.180 RESID 56 (A): H 8.814 8.814 8.064 0.750 RESID 57 (G): N 108.854 108.854 109.619 -0.765 RESID 57 (G): C 173.751 173.751 173.717 0.034 RESID 57 (G): CA 45.130 45.130 45.146 -0.016 RESID 57 (G): H 8.524 8.524 8.540 -0.016 RESID 58 (K): N 120.911 120.911 118.098 2.813 RESID 58 (K): HA 4.301 4.301 4.735 -0.434 RESID 58 (K): C 176.244 176.244 174.192 2.052 RESID 58 (K): CA 55.941 55.941 54.905 1.036 RESID 58 (K): CB 33.552 33.552 35.212 -1.660 RESID 58 (K): H 8.206 8.206 7.333 0.873 RESID 59 (A): N 126.086 126.086 125.879 0.207 RESID 59 (A): HA 4.354 4.354 4.678 -0.324 RESID 59 (A): C 177.815 177.815 177.003 0.812 RESID 59 (A): CA 52.346 52.346 51.524 0.822 RESID 59 (A): CB 19.479 19.479 19.796 -0.317 RESID 59 (A): H 8.518 8.518 8.333 0.185 RESID 60 (T): N 114.453 114.453 115.291 -0.838 RESID 60 (T): HA 4.434 4.434 4.491 -0.057 RESID 60 (T): C 175.282 175.282 174.092 1.190 RESID 60 (T): CA 61.740 61.740 60.437 1.303 RESID 60 (T): CB 70.210 70.210 70.395 -0.185 RESID 60 (T): H 8.402 8.402 8.232 0.170 RESID 61 (T): N 115.217 115.217 109.814 5.403 RESID 61 (T): HA 4.360 4.360 4.620 -0.260 RESID 61 (T): C 175.851 175.851 175.326 0.525 RESID 61 (T): CA 61.847 61.847 59.678 2.169 RESID 61 (T): CB 70.682 70.682 72.471 -1.788 RESID 61 (T): H 8.429 8.429 7.975 0.454 RESID 62 (E): N 120.843 120.843 122.602 -1.759 RESID 62 (E): HA 3.923 3.923 3.895 0.028 RESID 62 (E): C 179.517 179.517 178.317 1.200 RESID 62 (E): CA 59.568 59.568 60.331 -0.763 RESID 62 (E): CB 29.223 29.223 29.071 0.152 RESID 62 (E): H 9.049 9.049 8.996 0.053 RESID 63 (E): N 119.900 119.900 120.427 -0.527 RESID 63 (E): HA 3.768 3.768 3.923 -0.155 RESID 63 (E): C 177.635 177.635 178.619 -0.984 RESID 63 (E): CA 60.882 60.882 59.672 1.210 RESID 63 (E): CB 29.410 29.410 29.245 0.165 RESID 63 (E): H 8.857 8.857 8.092 0.765 RESID 64 (Q): N 118.374 118.374 118.990 -0.616 RESID 64 (Q): HA 3.821 3.821 4.016 -0.195 RESID 64 (Q): C 178.986 178.986 178.278 0.708 RESID 64 (Q): CA 58.831 58.831 58.341 0.490 RESID 64 (Q): CB 28.480 28.480 28.519 -0.039 RESID 64 (Q): H 7.923 7.923 7.725 0.198 RESID 65 (K): N 119.234 119.234 118.412 0.822 RESID 65 (K): HA 3.940 3.940 4.095 -0.155 RESID 65 (K): C 178.993 178.993 179.422 -0.429 RESID 65 (K): CA 59.547 59.547 58.772 0.775 RESID 65 (K): CB 32.502 32.502 32.644 -0.142 RESID 65 (K): H 8.258 8.258 8.134 0.124 RESID 66 (L): N 120.500 120.500 121.549 -1.049 RESID 66 (L): HA 4.060 4.060 4.069 -0.009 RESID 66 (L): C 178.729 178.729 178.662 0.067 RESID 66 (L): CA 58.217 58.217 57.657 0.559 RESID 66 (L): CB 41.328 41.328 42.186 -0.858 RESID 66 (L): H 7.786 7.786 8.468 -0.682 RESID 67 (I): N 118.533 118.533 118.929 -0.396 RESID 67 (I): HA 3.817 3.817 3.571 0.246 RESID 67 (I): C 177.644 177.644 176.736 0.908 RESID 67 (I): CA 62.837 62.837 63.913 -1.076 RESID 67 (I): CB 36.617 36.617 37.889 -1.272 RESID 67 (I): H 8.049 8.049 8.400 -0.351 RESID 68 (E): N 121.332 121.332 117.213 4.119 RESID 68 (E): HA 4.117 4.117 4.161 -0.044 RESID 68 (E): C 181.037 181.037 177.741 3.296 RESID 68 (E): CA 59.800 59.800 58.203 1.597 RESID 68 (E): CB 29.330 29.330 29.665 -0.335 RESID 68 (E): H 8.178 8.178 7.574 0.604 RESID 69 (K): N 120.580 120.580 119.821 0.759 RESID 69 (K): HA 4.120 4.120 4.214 -0.094 RESID 69 (K): C 180.563 180.563 178.553 2.010 RESID 69 (K): CA 59.667 59.667 58.292 1.375 RESID 69 (K): CB 33.436 33.436 33.139 0.297 RESID 69 (K): H 7.921 7.921 8.029 -0.108 RESID 70 (I): N 123.857 123.857 120.603 3.254 RESID 70 (I): HA 3.761 3.761 3.751 0.010 RESID 70 (I): C 178.582 178.582 176.256 2.326 RESID 70 (I): CA 63.442 63.442 63.412 0.030 RESID 70 (I): CB 36.146 36.146 37.871 -1.725 RESID 70 (I): H 8.533 8.533 7.957 0.576 RESID 71 (N): N 121.132 121.132 119.084 2.048 RESID 71 (N): HA 4.596 4.596 4.211 0.385 RESID 71 (N): C 178.680 178.680 176.939 1.741 RESID 71 (N): CA 56.116 56.116 56.434 -0.318 RESID 71 (N): CB 37.991 37.991 37.702 0.289 RESID 71 (N): H 9.041 9.041 8.282 0.759 RESID 72 (A): N 123.574 123.574 121.262 2.312 RESID 72 (A): HA 4.231 4.231 4.142 0.089 RESID 72 (A): C 181.206 181.206 179.789 1.417 RESID 72 (A): CA 55.491 55.491 54.842 0.649 RESID 72 (A): CB 17.697 17.697 18.206 -0.509 RESID 72 (A): H 8.361 8.361 7.579 0.782 RESID 73 (G): N 109.949 109.949 107.032 2.917 RESID 73 (G): C 175.146 175.146 176.633 -1.487 RESID 73 (G): CA 47.137 47.137 46.889 0.248 RESID 73 (G): H 8.429 8.429 7.558 0.871 RESID 74 (F): N 124.896 124.896 121.432 3.464 RESID 74 (F): HA 4.079 4.079 4.410 -0.331 RESID 74 (F): C 177.084 177.084 177.518 -0.434 RESID 74 (F): CA 62.295 62.295 59.253 3.042 RESID 74 (F): CB 39.696 39.696 38.671 1.025 RESID 74 (F): H 9.000 9.000 8.231 0.769 RESID 75 (K): N 118.457 118.457 118.700 -0.243 RESID 75 (K): HA 4.009 4.009 3.945 0.064 RESID 75 (K): C 179.824 179.824 178.771 1.053 RESID 75 (K): CA 60.011 60.011 59.410 0.601 RESID 75 (K): CB 32.450 32.450 31.915 0.535 RESID 75 (K): H 8.165 8.165 8.280 -0.115 RESID 76 (A): N 122.983 122.983 121.526 1.457 RESID 76 (A): HA 4.127 4.127 4.145 -0.018 RESID 76 (A): C 180.654 180.654 178.492 2.162 RESID 76 (A): CA 54.723 54.723 54.671 0.052 RESID 76 (A): CB 17.580 17.580 18.090 -0.510 RESID 76 (A): H 8.429 8.429 7.543 0.886 RESID 77 (A): N 124.931 124.931 119.897 5.034 RESID 77 (A): HA 3.765 3.765 4.069 -0.304 RESID 77 (A): C 178.922 178.922 179.325 -0.403 RESID 77 (A): CA 55.160 55.160 53.850 1.310 RESID 77 (A): CB 18.170 18.170 19.460 -1.290 RESID 77 (A): H 8.407 8.407 7.383 1.024 RESID 78 (L): N 121.008 121.008 118.726 2.282 RESID 78 (L): HA 4.180 4.180 3.833 0.347 RESID 78 (L): C 180.456 180.456 179.737 0.719 RESID 78 (L): CA 58.160 58.160 57.647 0.513 RESID 78 (L): CB 42.895 42.895 41.574 1.321 RESID 78 (L): H 8.412 8.412 8.701 -0.289 RESID 79 (A): N 121.505 121.505 121.986 -0.481 RESID 79 (A): HA 4.133 4.133 4.086 0.047 RESID 79 (A): C 180.329 180.329 179.045 1.284 RESID 79 (A): CA 54.697 54.697 54.885 -0.188 RESID 79 (A): CB 17.662 17.662 18.054 -0.392 RESID 79 (A): H 7.813 7.813 8.139 -0.326 RESID 80 (A): N 121.520 121.520 118.668 2.852 RESID 80 (A): HA 4.055 4.055 4.136 -0.081 RESID 80 (A): C 181.040 181.040 177.950 3.090 RESID 80 (A): CA 54.340 54.340 53.389 0.951 RESID 80 (A): CB 18.700 18.700 18.142 0.558 RESID 80 (A): H 8.278 8.278 7.736 0.542 RESID 81 (A): N 119.451 119.451 120.763 -1.312 RESID 81 (A): HA 4.179 4.179 4.030 0.149 RESID 81 (A): C 178.308 178.308 177.750 0.558 RESID 81 (A): CA 53.950 53.950 53.678 0.272 RESID 81 (A): CB 18.900 18.900 19.319 -0.419 RESID 81 (A): H 8.428 8.428 7.253 1.175 RESID 82 (A): N 119.868 119.868 119.454 0.414 RESID 82 (A): HA 4.018 4.018 4.545 -0.527 RESID 82 (A): C 178.696 178.696 177.404 1.292 RESID 82 (A): CA 54.290 54.290 50.946 3.344 RESID 82 (A): CB 18.200 18.200 20.456 -2.256 RESID 82 (A): H 7.860 7.860 7.289 0.571 RESID 83 (G): N 128.265 128.265 107.291 20.974 RESID 83 (G): C 174.104 174.104 174.264 -0.160 RESID 83 (G): CA 44.978 44.978 45.541 -0.563 RESID 83 (G): H 7.429 7.429 8.536 -1.107 RESID 84 (V): N 111.883 111.883 119.973 -8.090 RESID 84 (V): HA 4.801 4.801 4.422 0.379 RESID 84 (V): C 175.136 175.136 175.369 -0.233 RESID 84 (V): CA 58.875 58.875 60.029 -1.154 RESID 84 (V): CB 34.417 34.417 33.563 0.854 RESID 84 (V): H 7.052 7.052 7.569 -0.517 RESID 85 (Q): N 119.223 119.223 124.222 -4.999 RESID 85 (Q): HA 4.410 4.410 4.409 0.001 RESID 85 (Q): CA 54.350 54.350 55.132 -0.782 RESID 85 (Q): CB 26.663 26.663 28.074 -1.411 RESID 85 (Q): H 8.687 8.687 8.419 0.268 RESID 86 (P): HA 4.345 4.345 4.162 0.183 RESID 86 (P): CA 62.130 62.130 64.469 -2.339 RESID 86 (P): CB 32.330 32.330 31.625 0.705 RESID 87 (A): N 118.968 118.968 118.925 0.043 RESID 87 (A): HA 4.177 4.177 4.320 -0.143 RESID 87 (A): C 177.901 177.901 178.784 -0.883 RESID 87 (A): CA 54.580 54.580 51.800 2.780 RESID 87 (A): CB 18.675 18.675 19.915 -1.240 RESID 87 (A): H 8.949 8.949 7.574 1.375 RESID 88 (D): N 114.859 114.859 118.528 -3.669 RESID 88 (D): HA 5.032 5.032 4.381 0.651 RESID 88 (D): C 177.564 177.564 177.341 0.223 RESID 88 (D): CA 54.500 54.500 56.709 -2.208 RESID 88 (D): CB 43.027 43.027 40.127 2.900 RESID 88 (D): H 8.201 8.201 8.759 -0.558 RESID 89 (K): N 124.691 124.691 119.144 5.547 RESID 89 (K): HA 3.367 3.367 4.008 -0.641 RESID 89 (K): C 177.108 177.108 178.499 -1.391 RESID 89 (K): CA 62.300 62.300 59.166 3.134 RESID 89 (K): CB 32.541 32.541 32.367 0.173 RESID 89 (K): H 7.553 7.553 8.048 -0.495 RESID 90 (Y): N 119.522 119.522 119.309 0.213 RESID 90 (Y): HA 4.226 4.226 4.962 -0.736 RESID 90 (Y): C 175.856 175.856 177.758 -1.902 RESID 90 (Y): CA 62.070 62.070 61.395 0.675 RESID 90 (Y): CB 37.336 37.336 38.749 -1.413 RESID 90 (Y): H 9.244 9.244 8.437 0.807 RESID 91 (R): N 118.233 118.233 118.157 0.076 RESID 91 (R): HA 3.603 3.603 4.259 -0.656 RESID 91 (R): C 179.347 179.347 178.643 0.704 RESID 91 (R): CA 59.173 59.173 59.144 0.029 RESID 91 (R): CB 29.209 29.209 30.002 -0.793 RESID 91 (R): H 8.973 8.973 8.576 0.397 RESID 92 (T): N 116.043 116.043 117.057 -1.014 RESID 92 (T): HA 3.912 3.912 4.082 -0.170 RESID 92 (T): C 176.425 176.425 176.198 0.227 RESID 92 (T): CA 67.061 67.061 67.231 -0.171 RESID 92 (T): CB 68.762 68.762 68.440 0.322 RESID 92 (T): H 7.949 7.949 8.710 -0.761 RESID 93 (F): N 125.587 125.587 121.021 4.566 RESID 93 (F): HA 3.764 3.764 4.035 -0.271 RESID 93 (F): C 177.008 177.008 177.784 -0.776 RESID 93 (F): CA 62.783 62.783 62.538 0.245 RESID 93 (F): CB 39.771 39.771 38.115 1.655 RESID 93 (F): H 9.047 9.047 7.598 1.449 RESID 94 (V): N 118.057 118.057 118.191 -0.134 RESID 94 (V): HA 3.285 3.285 3.899 -0.614 RESID 94 (V): C 179.641 179.641 178.453 1.188 RESID 94 (V): CA 67.046 67.046 65.709 1.337 RESID 94 (V): CB 31.890 31.890 31.265 0.625 RESID 94 (V): H 8.540 8.540 7.968 0.572 RESID 95 (A): N 121.659 121.659 122.125 -0.466 RESID 95 (A): HA 4.076 4.076 4.091 -0.015 RESID 95 (A): C 180.431 180.431 179.636 0.795 RESID 95 (A): CA 55.002 55.002 55.306 -0.304 RESID 95 (A): CB 18.135 18.135 18.588 -0.453 RESID 95 (A): H 8.056 8.056 8.447 -0.391 RESID 96 (T): N 115.396 115.396 114.689 0.707 RESID 96 (T): HA 4.197 4.197 4.152 0.045 RESID 96 (T): C 176.605 176.605 176.423 0.182 RESID 96 (T): CA 68.450 68.450 65.884 2.566 RESID 96 (T): CB 66.738 66.738 68.959 -2.221 RESID 96 (T): H 7.904 7.904 8.427 -0.523 RESID 97 (F): N 123.502 123.502 122.743 0.759 RESID 97 (F): HA 3.628 3.628 4.096 -0.468 RESID 97 (F): C 177.130 177.130 176.743 0.387 RESID 97 (F): CA 61.883 61.883 60.465 1.418 RESID 97 (F): CB 39.300 39.300 38.558 0.742 RESID 97 (F): H 9.024 9.024 8.212 0.812 RESID 98 (G): N 107.348 107.348 106.908 0.440 RESID 98 (G): C 175.718 175.718 174.976 0.742 RESID 98 (G): CA 46.926 46.926 46.899 0.027 RESID 98 (G): H 8.476 8.476 7.926 0.550 RESID 99 (A): N 122.344 122.344 124.100 -1.756 RESID 99 (A): HA 4.130 4.130 4.068 0.062 RESID 99 (A): C 180.299 180.299 179.217 1.082 RESID 99 (A): CA 54.856 54.856 54.544 0.312 RESID 99 (A): CB 17.755 17.755 18.181 -0.426 RESID 99 (A): H 7.404 7.404 7.617 -0.213 RESID 100 (A): N 121.274 121.274 121.219 0.055 RESID 100 (A): HA 4.207 4.207 3.884 0.323 RESID 100 (A): C 181.140 181.140 179.388 1.752 RESID 100 (A): CA 54.496 54.496 54.991 -0.495 RESID 100 (A): CB 17.543 17.543 17.792 -0.249 RESID 100 (A): H 9.009 9.009 7.370 1.639 RESID 101 (S): N 116.676 116.676 112.933 3.743 RESID 101 (S): HA 4.202 4.202 4.023 0.179 RESID 101 (S): C 176.687 176.687 176.416 0.271 RESID 101 (S): CA 68.500 68.500 61.009 7.491 RESID 101 (S): CB 67.022 67.022 62.429 4.593 RESID 101 (S): H 7.861 7.861 7.454 0.407 RESID 102 (N): HA 4.281 4.281 4.281 -0.000 RESID 102 (N): CA 55.960 55.960 55.874 0.086 RESID 102 (N): CB 37.701 37.701 37.880 -0.179 RESID 103 (K): N 120.130 120.130 121.349 -1.219 RESID 103 (K): HA 4.009 4.009 3.900 0.109 RESID 103 (K): C 177.809 177.809 178.418 -0.609 RESID 103 (K): CA 59.437 59.437 59.697 -0.260 RESID 103 (K): CB 32.638 32.638 32.471 0.167 RESID 103 (K): H 7.716 7.716 8.257 -0.541 RESID 104 (A): N 121.097 121.097 121.649 -0.552 RESID 104 (A): HA 3.994 3.994 4.145 -0.151 RESID 104 (A): C 180.119 180.119 180.108 0.011 RESID 104 (A): CA 54.666 54.666 55.035 -0.369 RESID 104 (A): CB 18.369 18.369 18.346 0.022 RESID 104 (A): H 7.762 7.762 7.521 0.241 RESID 105 (F): N 116.920 116.920 118.182 -1.262 RESID 105 (F): HA 4.231 4.231 4.154 0.077 RESID 105 (F): C 177.950 177.950 176.833 1.117 RESID 105 (F): CA 59.775 59.775 60.645 -0.870 RESID 105 (F): CB 38.380 38.380 38.463 -0.083 RESID 105 (F): H 8.508 8.508 8.686 -0.178 RESID 106 (A): N 121.978 121.978 118.286 3.692 RESID 106 (A): HA 4.180 4.180 4.182 -0.002 RESID 106 (A): CA 54.164 54.164 54.385 -0.221 RESID 106 (A): CB 18.482 18.482 18.586 -0.104 RESID 106 (A): H 7.885 7.885 8.036 -0.151 RESID 107 (E): N 118.006 118.006 118.713 -0.707 RESID 107 (E): HA 4.125 4.125 4.394 -0.269 RESID 107 (E): C 177.933 177.933 178.357 -0.424 RESID 107 (E): CA 57.663 57.663 57.148 0.515 RESID 107 (E): CB 30.205 30.205 30.354 -0.149 RESID 107 (E): H 7.991 7.991 7.428 0.563 RESID 108 (G): N 108.097 108.097 108.362 -0.265 RESID 108 (G): C 174.327 174.327 174.951 -0.624 RESID 108 (G): CA 45.675 45.675 45.071 0.604 RESID 108 (G): H 8.106 8.106 8.148 -0.042 RESID 109 (L): N 121.291 121.291 119.144 2.147 RESID 109 (L): HA 4.338 4.338 4.023 0.315 RESID 109 (L): C 177.737 177.737 177.798 -0.061 RESID 109 (L): CA 55.404 55.404 55.846 -0.442 RESID 109 (L): CB 42.279 42.279 42.238 0.041 RESID 109 (L): H 7.965 7.965 7.465 0.500 RESID 110 (S): N 115.953 115.953 111.446 4.507 RESID 110 (S): HA 4.350 4.350 4.144 0.206 RESID 110 (S): C 175.049 175.049 175.119 -0.070 RESID 110 (S): CA 58.898 58.898 58.536 0.362 RESID 110 (S): CB 63.724 63.724 62.608 1.116 RESID 110 (S): H 8.243 8.243 8.177 0.066 RESID 111 (G): N 110.568 110.568 106.163 4.405 RESID 111 (G): C 173.855 173.855 175.655 -1.800 RESID 111 (G): CA 45.127 45.127 44.632 0.495 RESID 111 (G): H 8.392 8.392 8.195 0.197 RESID 112 (E): N 121.380 121.380 121.128 0.252 RESID 112 (E): HA 4.538 4.538 4.497 0.041 RESID 112 (E): CA 54.191 54.191 57.918 -3.727 RESID 112 (E): CB 29.390 29.390 29.174 0.216 RESID 112 (E): H 8.060 8.060 8.533 -0.473 RESID 113 (P): HA 4.349 4.349 4.567 -0.218 RESID 113 (P): CA 63.375 63.375 62.233 1.142 RESID 113 (P): CB 32.052 32.052 29.972 2.080 RESID 114 (K): N 121.571 121.571 119.197 2.374 RESID 114 (K): HA 4.246 4.246 3.957 0.289 RESID 114 (K): C 177.324 177.324 176.488 0.836 RESID 114 (K): CA 56.277 56.277 56.609 -0.332 RESID 114 (K): CB 32.803 32.803 30.228 2.575 RESID 114 (K): H 8.536 8.536 8.016 0.520 RESID 115 (G): N 110.197 110.197 107.552 2.645 RESID 115 (G): C 174.102 174.102 173.428 0.674 RESID 115 (G): CA 45.232 45.232 45.342 -0.110 RESID 115 (G): H 8.490 8.490 8.001 0.489 RESID 116 (A): N 123.966 123.966 126.905 -2.939 RESID 116 (A): HA 4.210 4.210 4.344 -0.134 RESID 116 (A): C 178.191 178.191 176.450 1.741 RESID 116 (A): CA 53.081 53.081 52.166 0.915 RESID 116 (A): CB 19.458 19.458 20.342 -0.884 RESID 116 (A): H 8.205 8.205 7.913 0.292 RESID 117 (A): N 122.628 122.628 122.595 0.033 RESID 117 (A): HA 4.199 4.199 3.969 0.230 RESID 117 (A): C 178.499 178.499 178.014 0.485 RESID 117 (A): CA 53.146 53.146 53.274 -0.128 RESID 117 (A): CB 19.106 19.106 18.082 1.024 RESID 117 (A): H 8.429 8.429 8.611 -0.182 RESID 118 (E): N 119.797 119.797 118.814 0.983 RESID 118 (E): HA 4.199 4.199 4.015 0.184 RESID 118 (E): C 177.223 177.223 178.234 -1.011 RESID 118 (E): CA 57.387 57.387 58.559 -1.173 RESID 118 (E): CB 30.168 30.168 29.517 0.651 RESID 118 (E): H 8.451 8.451 8.786 -0.335 RESID 119 (S): N 116.850 116.850 114.591 2.259 RESID 119 (S): HA 4.397 4.397 4.086 0.311 RESID 119 (S): C 175.564 175.564 176.554 -0.990 RESID 119 (S): CA 58.914 58.914 61.296 -2.382 RESID 119 (S): CB 63.487 63.487 62.649 0.838 RESID 119 (S): H 8.432 8.432 8.330 0.102 RESID 120 (S): N 118.812 118.812 118.063 0.749 RESID 120 (S): HA 4.330 4.330 4.103 0.227 RESID 120 (S): C 176.421 176.421 176.242 0.179 RESID 120 (S): CA 59.906 59.906 61.255 -1.349 RESID 120 (S): CB 63.110 63.110 62.883 0.227 RESID 120 (S): H 8.559 8.559 8.174 0.385 RESID 121 (S): N 118.669 118.669 115.102 3.567 RESID 121 (S): HA 4.288 4.288 4.440 -0.152 RESID 121 (S): C 176.593 176.593 176.006 0.587 RESID 121 (S): CA 60.439 60.439 60.422 0.017 RESID 121 (S): CB 62.780 62.780 63.532 -0.753 RESID 121 (S): H 8.462 8.462 8.176 0.286 RESID 122 (K): N 123.978 123.978 121.725 2.253 RESID 122 (K): HA 4.060 4.060 4.296 -0.236 RESID 122 (K): CA 59.263 59.263 57.885 1.378 RESID 122 (K): CB 32.296 32.296 32.425 -0.129 RESID 122 (K): H 8.212 8.212 8.012 0.200 RESID 123 (A): N 123.450 123.450 122.525 0.925 RESID 123 (A): HA 4.136 4.136 4.079 0.057 RESID 123 (A): CA 54.330 54.330 55.088 -0.758 RESID 123 (A): CB 18.320 18.320 18.420 -0.100 RESID 123 (A): H 8.209 8.209 8.330 -0.121 RESID 124 (A): N 121.680 121.680 120.687 0.993 RESID 124 (A): HA 4.105 4.105 4.095 0.010 RESID 124 (A): CA 54.550 54.550 54.847 -0.297 RESID 124 (A): CB 18.260 18.260 18.096 0.164 RESID 124 (A): H 8.093 8.093 8.005 0.088 RESID 125 (L): N 120.426 120.426 119.248 1.178 RESID 125 (L): HA 4.072 4.072 4.083 -0.011 RESID 125 (L): C 178.680 178.680 178.620 0.060 RESID 125 (L): CA 57.920 57.920 57.776 0.144 RESID 125 (L): CB 41.254 41.254 41.519 -0.265 RESID 125 (L): H 8.091 8.091 7.561 0.530 RESID 126 (T): N 112.939 112.939 111.931 1.008 RESID 126 (T): HA 4.045 4.045 4.101 -0.056 RESID 126 (T): C 176.662 176.662 176.720 -0.058 RESID 126 (T): CA 68.000 68.000 66.716 1.284 RESID 126 (T): CB 66.703 66.703 68.557 -1.854 RESID 126 (T): H 8.439 8.439 7.677 0.762 RESID 127 (S): N 116.674 116.674 117.596 -0.922 RESID 127 (S): HA 4.230 4.230 4.182 0.048 RESID 127 (S): C 177.500 177.500 176.909 0.591 RESID 127 (S): CA 61.651 61.651 62.122 -0.471 RESID 127 (S): CB 62.770 62.770 63.181 -0.411 RESID 127 (S): H 7.830 7.830 8.722 -0.892 RESID 128 (K): N 122.748 122.748 122.307 0.441 RESID 128 (K): HA 4.178 4.178 4.145 0.033 RESID 128 (K): C 180.027 180.027 179.068 0.959 RESID 128 (K): CA 59.720 59.720 58.804 0.916 RESID 128 (K): CB 32.811 32.811 32.108 0.703 RESID 128 (K): H 7.837 7.837 8.027 -0.190 RESID 129 (L): N 122.100 122.100 120.748 1.352 RESID 129 (L): HA 3.680 3.680 4.327 -0.647 RESID 129 (L): C 176.494 176.494 178.979 -2.485 RESID 129 (L): CA 57.837 57.837 58.174 -0.337 RESID 129 (L): CB 41.142 41.142 41.144 -0.002 RESID 129 (L): H 8.389 8.389 8.480 -0.091 RESID 130 (D): N 117.732 117.732 119.909 -2.177 RESID 130 (D): HA 4.104 4.104 4.433 -0.329 RESID 130 (D): C 178.771 178.771 178.859 -0.088 RESID 130 (D): CA 57.828 57.828 57.887 -0.059 RESID 130 (D): CB 41.591 41.591 40.270 1.321 RESID 130 (D): H 8.237 8.237 9.051 -0.814 RESID 131 (A): N 119.043 119.043 121.904 -2.861 RESID 131 (A): HA 4.031 4.031 4.148 -0.117 RESID 131 (A): C 180.501 180.501 179.628 0.873 RESID 131 (A): CA 55.080 55.080 55.274 -0.194 RESID 131 (A): CB 17.836 17.836 18.271 -0.435 RESID 131 (A): H 7.701 7.701 8.247 -0.546 RESID 132 (A): N 123.553 123.553 121.952 1.601 RESID 132 (A): HA 4.097 4.097 4.121 -0.024 RESID 132 (A): C 179.369 179.369 179.469 -0.100 RESID 132 (A): CA 54.773 54.773 54.820 -0.047 RESID 132 (A): CB 18.260 18.260 18.304 -0.044 RESID 132 (A): H 7.862 7.862 7.795 0.067 RESID 133 (Y): N 119.392 119.392 120.829 -1.437 RESID 133 (Y): HA 4.127 4.127 4.009 0.118 RESID 133 (Y): C 180.484 180.484 177.972 2.512 RESID 133 (Y): CA 57.910 57.910 62.155 -4.245 RESID 133 (Y): CB 35.838 35.838 38.476 -2.638 RESID 133 (Y): H 8.847 8.847 9.096 -0.249 RESID 134 (K): N 121.044 121.044 119.476 1.568 RESID 134 (K): HA 4.212 4.212 4.090 0.122 RESID 134 (K): C 178.998 178.998 179.111 -0.113 RESID 134 (K): CA 59.861 59.861 58.809 1.052 RESID 134 (K): CB 32.553 32.553 32.504 0.049 RESID 134 (K): H 8.298 8.298 8.319 -0.021 RESID 135 (L): N 122.293 122.293 120.873 1.420 RESID 135 (L): HA 4.201 4.201 4.043 0.158 RESID 135 (L): C 180.381 180.381 178.246 2.135 RESID 135 (L): CA 57.871 57.871 57.731 0.140 RESID 135 (L): CB 41.852 41.852 41.490 0.362 RESID 135 (L): H 8.207 8.207 8.491 -0.284 RESID 136 (A): N 124.897 124.897 121.579 3.318 RESID 136 (A): HA 3.736 3.736 4.046 -0.310 RESID 136 (A): C 178.374 178.374 179.512 -1.138 RESID 136 (A): CA 56.103 56.103 54.825 1.278 RESID 136 (A): CB 17.563 17.563 18.330 -0.767 RESID 136 (A): H 8.614 8.614 8.517 0.097 RESID 137 (Y): N 118.204 118.204 119.514 -1.310 RESID 137 (Y): HA 4.334 4.334 2.723 1.611 RESID 137 (Y): C 177.390 177.390 177.693 -0.303 RESID 137 (Y): CA 62.357 62.357 60.035 2.322 RESID 137 (Y): CB 38.728 38.728 37.837 0.891 RESID 137 (Y): H 8.320 8.320 7.732 0.588 RESID 138 (K): N 119.255 119.255 119.977 -0.722 RESID 138 (K): HA 3.897 3.897 3.565 0.332 RESID 138 (K): C 179.695 179.695 178.592 1.103 RESID 138 (K): CA 59.242 59.242 59.622 -0.380 RESID 138 (K): CB 32.309 32.309 32.216 0.093 RESID 138 (K): H 8.722 8.722 8.426 0.296 RESID 139 (T): N 116.244 116.244 111.658 4.586 RESID 139 (T): HA 4.120 4.120 4.009 0.111 RESID 139 (T): C 176.563 176.563 175.633 0.930 RESID 139 (T): CA 68.750 68.750 64.886 3.864 RESID 139 (T): CB 66.863 66.863 68.299 -1.436 RESID 139 (T): H 8.368 8.368 7.859 0.509 RESID 140 (A): N 124.310 124.310 124.328 -0.018 RESID 140 (A): HA 3.884 3.884 3.925 -0.041 RESID 140 (A): C 179.123 179.123 179.118 0.005 RESID 140 (A): CA 54.887 54.887 54.517 0.369 RESID 140 (A): CB 19.489 19.489 18.459 1.030 RESID 140 (A): H 8.207 8.207 7.313 0.894 RESID 141 (E): N 117.572 117.572 117.363 0.209 RESID 141 (E): HA 3.696 3.696 4.018 -0.322 RESID 141 (E): C 177.623 177.623 177.952 -0.329 RESID 141 (E): CA 58.472 58.472 57.825 0.647 RESID 141 (E): CB 29.633 29.633 30.023 -0.391 RESID 141 (E): H 8.324 8.324 7.561 0.763 RESID 142 (G): N 103.520 103.520 107.469 -3.949 RESID 142 (G): C 173.480 173.480 172.600 0.880 RESID 142 (G): CA 44.841 44.841 44.348 0.493 RESID 142 (G): H 7.333 7.333 7.484 -0.151 RESID 143 (A): N 124.154 124.154 124.334 -0.180 RESID 143 (A): HA 4.475 4.475 4.828 -0.353 RESID 143 (A): C 177.290 177.290 175.858 1.432 RESID 143 (A): CA 50.615 50.615 51.531 -0.916 RESID 143 (A): CB 19.859 19.859 20.133 -0.274 RESID 143 (A): H 7.339 7.339 7.545 -0.206 RESID 144 (T): N 112.353 112.353 114.662 -2.309 RESID 144 (T): HA 4.431 4.431 4.664 -0.233 RESID 144 (T): C 174.105 174.105 173.893 0.212 RESID 144 (T): CA 60.634 60.634 59.183 1.451 RESID 144 (T): CB 67.394 67.394 69.583 -2.189 RESID 144 (T): H 8.116 8.116 8.056 0.060 RESID 145 (P): HA 3.914 3.914 4.492 -0.578 RESID 145 (P): C 179.300 179.300 177.286 2.014 RESID 145 (P): CA 66.875 66.875 63.641 3.234 RESID 145 (P): CB 32.327 32.327 31.769 0.558 RESID 146 (E): N 116.397 116.397 121.478 -5.081 RESID 146 (E): HA 4.178 4.178 4.153 0.025 RESID 146 (E): C 176.426 176.426 176.278 0.148 RESID 146 (E): CA 58.746 58.746 57.599 1.147 RESID 146 (E): CB 28.347 28.347 30.059 -1.712 RESID 146 (E): H 9.340 9.340 7.760 1.580 RESID 147 (A): N 123.484 123.484 118.785 4.699 RESID 147 (A): HA 4.678 4.678 4.442 0.236 RESID 147 (A): C 177.808 177.808 176.285 1.523 RESID 147 (A): CA 52.028 52.028 52.502 -0.474 RESID 147 (A): CB 20.943 20.943 18.791 2.152 RESID 147 (A): H 7.984 7.984 7.451 0.533 RESID 148 (K): N 120.663 120.663 121.423 -0.760 RESID 148 (K): HA 3.465 3.465 4.066 -0.601 RESID 148 (K): C 177.165 177.165 177.247 -0.082 RESID 148 (K): CA 61.675 61.675 58.939 2.736 RESID 148 (K): CB 33.075 33.075 32.369 0.706 RESID 148 (K): H 7.285 7.285 8.066 -0.781 RESID 149 (Y): N 118.061 118.061 120.960 -2.899 RESID 149 (Y): HA 4.059 4.059 4.334 -0.275 RESID 149 (Y): C 175.368 175.368 177.190 -1.822 RESID 149 (Y): CA 62.206 62.206 61.284 0.922 RESID 149 (Y): CB 37.386 37.386 38.013 -0.626 RESID 149 (Y): H 8.793 8.793 8.221 0.572 RESID 150 (D): N 118.180 118.180 119.017 -0.837 RESID 150 (D): HA 3.820 3.820 4.332 -0.512 RESID 150 (D): C 178.927 178.927 178.350 0.577 RESID 150 (D): CA 57.373 57.373 57.323 0.050 RESID 150 (D): CB 40.511 40.511 40.267 0.245 RESID 150 (D): H 8.442 8.442 8.623 -0.181 RESID 152 (Y): HA 3.803 3.803 4.115 -0.312 RESID 152 (Y): C 176.950 176.950 177.532 -0.582 RESID 152 (Y): CA 62.480 62.480 59.423 3.057 RESID 152 (Y): CB 39.180 39.180 37.794 1.386 RESID 153 (V): N 116.500 116.500 118.982 -2.482 RESID 153 (V): HA 2.980 2.980 2.951 0.029 RESID 153 (V): C 178.920 178.920 178.107 0.813 RESID 153 (V): CA 66.800 66.800 65.555 1.246 RESID 153 (V): CB 31.730 31.730 30.959 0.771 RESID 153 (V): H 8.126 8.126 7.625 0.501 RESID 154 (A): N 122.151 122.151 121.150 1.001 RESID 154 (A): HA 3.981 3.981 3.985 -0.003 RESID 154 (A): C 176.909 176.909 179.600 -2.691 RESID 154 (A): CA 55.037 55.037 55.338 -0.301 RESID 154 (A): CB 18.243 18.243 18.182 0.061 RESID 154 (A): H 8.363 8.363 8.585 -0.222 RESID 155 (T): N 114.478 114.478 117.008 -2.530 RESID 155 (T): HA 3.807 3.807 3.937 -0.130 RESID 155 (T): C 176.582 176.582 176.348 0.234 RESID 155 (T): CA 66.731 66.731 67.183 -0.452 RESID 155 (T): CB 68.550 68.550 68.553 -0.003 RESID 155 (T): H 7.590 7.590 8.084 -0.494 RESID 156 (L): N 122.590 122.590 119.956 2.634 RESID 156 (L): HA 3.873 3.873 4.065 -0.192 RESID 156 (L): CA 57.829 57.829 57.685 0.144 RESID 156 (L): CB 42.149 42.149 41.383 0.766 RESID 156 (L): H 8.449 8.449 7.764 0.685 RESID 157 (S): N 112.486 112.486 115.069 -2.583 RESID 157 (S): HA 3.873 3.873 4.130 -0.257 RESID 157 (S): C 177.485 177.485 176.458 1.027 RESID 157 (S): CA 62.556 62.556 61.770 0.786 RESID 157 (S): CB 61.390 61.390 62.918 -1.528 RESID 157 (S): H 8.705 8.705 8.111 0.594 RESID 158 (E): N 121.019 121.019 122.794 -1.775 RESID 158 (E): HA 4.124 4.124 4.003 0.121 RESID 158 (E): C 177.558 177.558 178.570 -1.012 RESID 158 (E): CA 58.615 58.615 59.222 -0.607 RESID 158 (E): CB 29.232 29.232 29.692 -0.460 RESID 158 (E): H 7.408 7.408 7.786 -0.378 RESID 159 (A): N 120.731 120.731 121.934 -1.203 RESID 159 (A): HA 4.121 4.121 4.141 -0.020 RESID 159 (A): C 181.006 181.006 179.938 1.068 RESID 159 (A): CA 55.181 55.181 55.138 0.043 RESID 159 (A): CB 18.546 18.546 18.450 0.096 RESID 159 (A): H 7.803 7.803 8.372 -0.569 RESID 160 (L): N 116.637 116.637 119.795 -3.158 RESID 160 (L): HA 3.901 3.901 4.176 -0.275 RESID 160 (L): C 179.216 179.216 178.639 0.577 RESID 160 (L): CA 57.843 57.843 57.460 0.383 RESID 160 (L): CB 41.050 41.050 41.894 -0.844 RESID 160 (L): H 8.670 8.670 7.839 0.831 RESID 161 (R): N 121.986 121.986 119.297 2.689 RESID 161 (R): HA 3.908 3.908 4.100 -0.192 RESID 161 (R): C 179.790 179.790 179.319 0.471 RESID 161 (R): CA 59.657 59.657 58.872 0.785 RESID 161 (R): CB 29.935 29.935 30.262 -0.327 RESID 161 (R): H 7.914 7.914 8.554 -0.640 RESID 162 (I): N 120.810 120.810 121.259 -0.449 RESID 162 (I): HA 3.683 3.683 3.821 -0.138 RESID 162 (I): C 179.685 179.685 177.050 2.635 RESID 162 (I): CA 64.321 64.321 63.883 0.438 RESID 162 (I): CB 37.832 37.832 38.002 -0.170 RESID 162 (I): H 7.895 7.895 8.461 -0.566 RESID 163 (I): HA 3.560 3.560 3.751 -0.191 RESID 163 (I): CA 65.367 65.367 64.436 0.931 RESID 163 (I): CB 38.510 38.510 37.828 0.681 RESID 164 (A): N 121.450 121.450 120.741 0.709 RESID 164 (A): HA 3.938 3.938 4.161 -0.223 RESID 164 (A): C 179.920 179.920 178.375 1.545 RESID 164 (A): CA 55.090 55.090 54.083 1.007 RESID 164 (A): CB 18.170 18.170 18.440 -0.270 RESID 164 (A): H 8.525 8.525 7.681 0.844 RESID 165 (G): N 104.876 104.876 104.466 0.410 RESID 165 (G): C 175.831 175.831 175.467 0.364 RESID 165 (G): CA 46.602 46.602 45.446 1.156 RESID 165 (G): H 7.921 7.921 7.737 0.184 RESID 166 (T): N 111.734 111.734 112.752 -1.018 RESID 166 (T): HA 4.306 4.306 4.395 -0.089 RESID 166 (T): C 175.095 175.095 175.121 -0.026 RESID 166 (T): CA 63.000 63.000 62.719 0.281 RESID 166 (T): CB 69.795 69.795 69.798 -0.003 RESID 166 (T): H 7.786 7.786 7.450 0.336 RESID 167 (L): N 121.291 121.291 120.612 0.679 RESID 167 (L): HA 4.262 4.262 4.515 -0.253 RESID 167 (L): C 177.004 177.004 176.078 0.926 RESID 167 (L): CA 55.040 55.040 54.548 0.492 RESID 167 (L): CB 42.292 42.292 42.638 -0.346 RESID 167 (L): H 7.456 7.456 7.496 -0.040 RESID 168 (E): N 119.686 119.686 120.915 -1.229 RESID 168 (E): HA 4.151 4.151 4.287 -0.136 RESID 168 (E): C 176.001 176.001 175.698 0.303 RESID 168 (E): CA 56.210 56.210 56.223 -0.013 RESID 168 (E): CB 30.242 30.242 30.210 0.032 RESID 168 (E): H 7.840 7.840 7.832 0.008 RESID 169 (V): N 120.922 120.922 120.039 0.883 RESID 169 (V): HA 3.979 3.979 4.588 -0.609 RESID 169 (V): C 175.876 175.876 175.459 0.417 RESID 169 (V): CA 56.270 56.270 60.506 -4.236 RESID 169 (V): H 8.060 8.060 8.101 -0.041 RESID 170 (H): N 122.829 122.829 120.557 2.272 RESID 170 (H): HA 4.626 4.626 4.629 -0.003 RESID 170 (H): C 174.023 174.023 174.937 -0.914 RESID 170 (H): CA 55.025 55.025 56.594 -1.569 RESID 170 (H): CB 29.661 29.661 30.103 -0.442 RESID 170 (H): H 8.560 8.560 8.676 -0.116 RESID 171 (A): N 125.857 125.857 121.579 4.278 RESID 171 (A): HA 4.206 4.206 4.408 -0.202 RESID 171 (A): C 177.398 177.398 176.628 0.770 RESID 171 (A): CA 52.300 52.300 51.779 0.521 RESID 171 (A): CB 18.300 18.300 20.089 -1.789 RESID 171 (A): H 8.393 8.393 7.749 0.644 RESID 172 (V): N 120.329 120.329 118.866 1.463 RESID 172 (V): HA 4.011 4.011 3.628 0.383 RESID 172 (V): C 175.833 175.833 174.154 1.679 RESID 172 (V): CA 61.923 61.923 62.648 -0.724 RESID 172 (V): CB 32.550 32.550 31.243 1.307 RESID 172 (V): H 8.238 8.238 8.009 0.229 RESID 173 (K): N 127.029 127.029 117.805 9.224 RESID 173 (K): C 174.205 174.205 174.473 -0.268 RESID 173 (K): CA 54.059 54.059 56.216 -2.157 RESID 173 (K): CB 32.437 32.437 30.581 1.856 RESID 173 (K): H 8.442 8.442 8.430 0.012 RESID 174 (P): HA 4.322 4.322 4.328 -0.006 RESID 174 (P): CA 63.140 63.140 63.555 -0.415 RESID 174 (P): CB 32.320 32.320 32.133 0.187 RESID 175 (A): N 125.330 125.330 125.025 0.305 RESID 175 (A): HA 4.189 4.189 4.409 -0.220 RESID 175 (A): C 178.296 178.296 177.136 1.160 RESID 175 (A): CA 53.043 53.043 51.420 1.623 RESID 175 (A): CB 19.376 19.376 19.238 0.138 RESID 175 (A): H 8.430 8.430 8.700 -0.270 RESID 176 (A): N 123.143 123.143 122.927 0.216 RESID 176 (A): HA 4.204 4.204 4.225 -0.021 RESID 176 (A): C 177.718 177.718 177.554 0.164 RESID 176 (A): CA 52.432 52.432 51.862 0.570 RESID 176 (A): CB 19.500 19.500 19.377 0.123 RESID 176 (A): H 8.326 8.326 7.862 0.464 RESID 177 (E): N 119.752 119.752 121.758 -2.006 RESID 177 (E): HA 4.142 4.142 4.353 -0.211 RESID 177 (E): C 176.350 176.350 175.594 0.756 RESID 177 (E): CA 56.302 56.302 56.859 -0.557 RESID 177 (E): CB 30.333 30.333 29.221 1.112 RESID 177 (E): H 8.354 8.354 8.430 -0.076 RESID 178 (E): N 122.557 122.557 124.826 -2.269 RESID 178 (E): HA 4.193 4.193 4.442 -0.249 RESID 178 (E): C 176.260 176.260 174.876 1.384 RESID 178 (E): CA 56.307 56.307 56.179 0.128 RESID 178 (E): CB 30.542 30.542 30.897 -0.355 RESID 178 (E): H 8.395 8.395 8.518 -0.123 RESID 179 (V): N 122.787 122.787 120.698 2.089 RESID 179 (V): HA 3.983 3.983 4.471 -0.488 RESID 179 (V): C 175.871 175.871 175.013 0.858 RESID 179 (V): CA 62.225 62.225 61.244 0.981 RESID 179 (V): CB 32.459 32.459 33.434 -0.975 RESID 179 (V): H 8.232 8.232 8.316 -0.084 RESID 180 (K): N 126.356 126.356 124.316 2.040 RESID 180 (K): HA 4.315 4.315 4.670 -0.355 RESID 180 (K): C 176.090 176.090 175.067 1.023 RESID 180 (K): CA 55.880 55.880 56.043 -0.163 RESID 180 (K): CB 33.000 33.000 32.321 0.679 RESID 180 (K): H 8.427 8.427 8.514 -0.087 RESID 181 (V): N 122.752 122.752 119.644 3.108 RESID 181 (V): HA 4.043 4.043 4.552 -0.509 RESID 181 (V): C 175.754 175.754 175.162 0.592 RESID 181 (V): CA 61.803 61.803 61.382 0.421 RESID 181 (V): CB 33.155 33.155 33.332 -0.177 RESID 181 (V): H 8.244 8.244 8.235 0.009 RESID 182 (I): N 127.826 127.826 123.355 4.471 RESID 182 (I): C 174.257 174.257 174.065 0.192 RESID 182 (I): CA 58.244 58.244 59.123 -0.879 RESID 182 (I): CB 38.555 38.555 37.687 0.868 RESID 182 (I): H 8.388 8.388 8.172 0.216 RESID 183 (P): HA 4.330 4.330 4.559 -0.229 RESID 183 (P): C 176.700 176.700 175.877 0.823 RESID 183 (P): CA 63.230 63.230 62.269 0.961 RESID 183 (P): CB 32.380 32.380 32.531 -0.151 RESID 184 (A): N 124.690 124.690 123.163 1.527 RESID 184 (A): HA 4.193 4.193 4.567 -0.374 RESID 184 (A): C 178.758 178.758 176.827 1.931 RESID 184 (A): CA 53.320 53.320 51.735 1.585 RESID 184 (A): CB 19.340 19.340 20.403 -1.063 RESID 184 (A): H 8.485 8.485 8.296 0.189 RESID 185 (G): N 107.324 107.324 110.402 -3.078 RESID 185 (G): C 174.758 174.758 174.799 -0.041 RESID 185 (G): CA 45.717 45.717 45.964 -0.247 RESID 185 (G): H 8.527 8.527 8.528 -0.001 RESID 186 (E): N 120.410 120.410 120.289 0.121 RESID 186 (E): HA 4.170 4.170 4.563 -0.393 RESID 186 (E): C 177.470 177.470 177.676 -0.206 RESID 186 (E): CA 57.890 57.890 56.246 1.644 RESID 186 (E): CB 30.180 30.180 30.082 0.098 RESID 186 (E): H 8.262 8.262 8.468 -0.206 RESID 187 (L): N 121.652 121.652 121.867 -0.215 RESID 187 (L): HA 4.140 4.140 4.245 -0.105 RESID 187 (L): C 178.002 178.002 179.120 -1.118 RESID 187 (L): CA 56.458 56.458 57.097 -0.639 RESID 187 (L): CB 42.056 42.056 40.862 1.194 RESID 187 (L): H 8.247 8.247 8.021 0.226 RESID 188 (Q): N 119.063 119.063 119.149 -0.086 RESID 188 (Q): HA 4.205 4.205 4.094 0.111 RESID 188 (Q): C 177.544 177.544 178.203 -0.659 RESID 188 (Q): CA 57.584 57.584 58.502 -0.918 RESID 188 (Q): CB 28.421 28.421 28.016 0.405 RESID 188 (Q): H 8.377 8.377 8.655 -0.278 RESID 189 (V): N 118.808 118.808 119.912 -1.104 RESID 189 (V): HA 3.680 3.680 3.740 -0.060 RESID 189 (V): C 177.439 177.439 177.727 -0.288 RESID 189 (V): CA 65.376 65.376 66.114 -0.738 RESID 189 (V): CB 31.970 31.970 31.685 0.285 RESID 189 (V): H 7.872 7.872 7.553 0.319 RESID 190 (I): N 120.522 120.522 119.991 0.531 RESID 190 (I): HA 3.694 3.694 3.685 0.009 RESID 190 (I): C 177.364 177.364 176.986 0.378 RESID 190 (I): CA 63.323 63.323 63.980 -0.657 RESID 190 (I): CB 36.643 36.643 37.733 -1.089 RESID 190 (I): H 8.119 8.119 7.462 0.657 RESID 191 (E): N 120.185 120.185 119.742 0.443 RESID 191 (E): HA 4.141 4.141 3.909 0.232 RESID 191 (E): C 179.310 179.310 178.684 0.626 RESID 191 (E): CA 59.756 59.756 59.606 0.150 RESID 191 (E): CB 29.276 29.276 29.241 0.034 RESID 191 (E): H 8.175 8.175 7.771 0.404 RESID 192 (K): N 118.771 118.771 120.190 -1.419 RESID 192 (K): HA 4.211 4.211 4.092 0.119 RESID 192 (K): C 178.933 178.933 178.814 0.119 RESID 192 (K): CA 58.020 58.020 59.223 -1.203 RESID 192 (K): CB 31.710 31.710 32.432 -0.722 RESID 192 (K): H 7.720 7.720 7.925 -0.205 RESID 193 (V): N 121.979 121.979 118.993 2.986 RESID 193 (V): HA 3.537 3.537 3.626 -0.089 RESID 193 (V): C 176.912 176.912 177.719 -0.807 RESID 193 (V): CA 66.974 66.974 66.869 0.105 RESID 193 (V): CB 31.451 31.451 31.794 -0.343 RESID 193 (V): H 8.336 8.336 7.490 0.846 RESID 194 (D): N 121.596 121.596 119.433 2.163 RESID 194 (D): HA 4.396 4.396 4.403 -0.007 RESID 194 (D): C 178.097 178.097 178.044 0.053 RESID 194 (D): CA 57.899 57.899 57.129 0.770 RESID 194 (D): CB 41.740 41.740 40.754 0.986 RESID 194 (D): H 8.588 8.588 7.852 0.736 RESID 195 (A): N 119.998 119.998 121.943 -1.945 RESID 195 (A): HA 4.101 4.101 4.175 -0.074 RESID 195 (A): C 180.638 180.638 179.959 0.679 RESID 195 (A): CA 55.393 55.393 54.958 0.435 RESID 195 (A): CB 17.915 17.915 18.378 -0.463 RESID 195 (A): H 7.834 7.834 7.334 0.500 RESID 196 (A): N 121.520 121.520 121.176 0.344 RESID 196 (A): HA 4.043 4.043 4.094 -0.051 RESID 196 (A): C 178.986 178.986 179.534 -0.548 RESID 196 (A): CA 54.730 54.730 54.576 0.154 RESID 196 (A): CB 19.220 19.220 18.114 1.106 RESID 196 (A): H 8.198 8.198 8.122 0.076 RESID 197 (F): N 120.035 120.035 118.601 1.434 RESID 197 (F): HA 3.861 3.861 4.313 -0.452 RESID 197 (F): C 176.055 176.055 177.796 -1.741 RESID 197 (F): CA 61.833 61.833 61.238 0.595 RESID 197 (F): CB 39.090 39.090 39.307 -0.217 RESID 197 (F): H 9.092 9.092 7.781 1.311 RESID 198 (K): N 118.265 118.265 119.760 -1.495 RESID 198 (K): HA 3.815 3.815 4.041 -0.226 RESID 198 (K): C 180.112 180.112 178.596 1.516 RESID 198 (K): CA 59.826 59.826 59.771 0.055 RESID 198 (K): CB 32.347 32.347 32.341 0.006 RESID 198 (K): H 7.863 7.863 8.311 -0.448 RESID 199 (V): N 119.799 119.799 117.635 2.164 RESID 199 (V): HA 3.623 3.623 3.755 -0.132 RESID 199 (V): C 178.666 178.666 177.655 1.011 RESID 199 (V): CA 66.074 66.074 65.490 0.584 RESID 199 (V): CB 31.831 31.831 30.855 0.976 RESID 199 (V): H 7.580 7.580 8.087 -0.507 RESID 200 (A): N 125.339 125.339 121.438 3.901 RESID 200 (A): HA 3.635 3.635 4.130 -0.495 RESID 200 (A): C 178.388 178.388 178.853 -0.465 RESID 200 (A): CA 54.843 54.843 54.212 0.631 RESID 200 (A): CB 18.830 18.830 18.309 0.520 RESID 200 (A): H 8.166 8.166 7.513 0.653 RESID 201 (A): N 120.805 120.805 122.120 -1.315 RESID 201 (A): HA 4.000 4.000 4.011 -0.011 RESID 201 (A): C 180.740 180.740 179.336 1.404 RESID 201 (A): CA 54.550 54.550 54.879 -0.329 RESID 201 (A): CB 18.124 18.124 18.360 -0.236 RESID 201 (A): H 7.386 7.386 8.280 -0.894 RESID 202 (T): N 114.816 114.816 112.996 1.820 RESID 202 (T): HA 4.200 4.200 4.071 0.129 RESID 202 (T): C 175.840 175.840 176.805 -0.965 RESID 202 (T): CA 60.920 60.920 65.412 -4.492 RESID 202 (T): CB 62.070 62.070 69.016 -6.946 RESID 202 (T): H 8.322 8.322 7.901 0.421 RESID 203 (A): N 124.550 124.550 123.671 0.879 RESID 203 (A): HA 3.989 3.989 4.085 -0.096 RESID 203 (A): C 180.575 180.575 178.239 2.336 RESID 203 (A): CA 55.042 55.042 54.448 0.594 RESID 203 (A): CB 17.675 17.675 18.119 -0.444 RESID 203 (A): H 7.592 7.592 7.784 -0.192 RESID 204 (A): N 121.361 121.361 118.559 2.802 RESID 204 (A): HA 4.187 4.187 4.118 0.069 RESID 204 (A): C 179.867 179.867 179.280 0.587 RESID 204 (A): CA 55.224 55.224 53.187 2.037 RESID 204 (A): CB 18.791 18.791 19.188 -0.397 RESID 204 (A): H 8.758 8.758 7.562 1.196 RESID 205 (N): N 115.185 115.185 118.746 -3.561 RESID 205 (N): HA 4.189 4.189 4.367 -0.178 RESID 205 (N): C 175.555 175.555 176.875 -1.320 RESID 205 (N): CA 56.410 56.410 55.347 1.063 RESID 205 (N): CB 39.066 39.066 37.815 1.251 RESID 205 (N): H 8.220 8.220 8.491 -0.271 RESID 206 (A): N 117.946 117.946 120.537 -2.591 RESID 206 (A): HA 4.270 4.270 4.197 0.073 RESID 206 (A): C 176.827 176.827 177.267 -0.440 RESID 206 (A): CA 56.138 56.138 52.423 3.715 RESID 206 (A): CB 18.200 18.200 18.973 -0.772 RESID 206 (A): H 6.965 6.965 7.408 -0.443 RESID 207 (A): N 122.916 122.916 122.522 0.394 RESID 207 (A): HA 4.600 4.600 4.238 0.362 RESID 207 (A): C 174.478 174.478 177.184 -2.706 RESID 207 (A): CA 50.196 50.196 50.360 -0.164 RESID 207 (A): CB 18.287 18.287 18.503 -0.216 RESID 207 (A): H 7.240 7.240 7.273 -0.033 RESID 208 (P): HA 4.373 4.373 4.234 0.139 RESID 208 (P): C 177.440 177.440 176.441 0.999 RESID 208 (P): CA 62.600 62.600 63.201 -0.601 RESID 208 (P): CB 32.243 32.243 29.961 2.282 RESID 209 (A): N 122.883 122.883 118.016 4.867 RESID 209 (A): HA 3.726 3.726 3.685 0.041 RESID 209 (A): C 179.474 179.474 177.539 1.935 RESID 209 (A): CA 56.155 56.155 53.688 2.467 RESID 209 (A): CB 19.099 19.099 17.512 1.587 RESID 209 (A): H 8.620 8.620 8.119 0.501 RESID 210 (N): N 113.093 113.093 116.963 -3.870 RESID 210 (N): HA 4.519 4.519 4.607 -0.088 RESID 210 (N): C 176.000 176.000 174.142 1.858 RESID 210 (N): CA 55.226 55.226 54.187 1.039 RESID 210 (N): CB 38.057 38.057 38.741 -0.684 RESID 210 (N): H 8.933 8.933 8.048 0.885 RESID 211 (D): N 117.648 117.648 114.972 2.676 RESID 211 (D): HA 5.050 5.050 4.784 0.266 RESID 211 (D): C 175.953 175.953 174.962 0.991 RESID 211 (D): CA 54.110 54.110 53.430 0.680 RESID 211 (D): CB 42.936 42.936 41.754 1.182 RESID 211 (D): H 8.111 8.111 7.834 0.277 RESID 212 (K): N 118.713 118.713 121.277 -2.564 RESID 212 (K): HA 3.324 3.324 4.318 -0.994 RESID 212 (K): C 177.524 177.524 176.881 0.643 RESID 212 (K): CA 61.984 61.984 56.932 5.052 RESID 212 (K): CB 32.789 32.789 33.372 -0.583 RESID 212 (K): H 7.145 7.145 8.577 -1.432 RESID 213 (F): N 113.700 113.700 119.633 -5.933 RESID 213 (F): HA 4.087 4.087 4.153 -0.066 RESID 213 (F): C 178.141 178.141 177.605 0.536 RESID 213 (F): CA 62.473 62.473 62.354 0.119 RESID 213 (F): CB 38.303 38.303 37.423 0.880 RESID 213 (F): H 8.026 8.026 8.322 -0.296 RESID 214 (T): N 115.378 115.378 114.547 0.831 RESID 214 (T): C 178.124 178.124 176.268 1.856 RESID 214 (T): CA 65.503 65.503 67.375 -1.872 RESID 214 (T): CB 68.803 68.803 68.439 0.364 RESID 214 (T): H 7.917 7.917 8.378 -0.461 RESID 215 (V): N 122.692 122.692 120.343 2.349 RESID 215 (V): HA 3.659 3.659 3.724 -0.065 RESID 215 (V): C 177.771 177.771 177.298 0.473 RESID 215 (V): CA 66.361 66.361 65.927 0.434 RESID 215 (V): CB 31.360 31.360 31.183 0.177 RESID 215 (V): H 8.430 8.430 7.761 0.669 RESID 216 (F): N 119.847 119.847 122.325 -2.478 RESID 216 (F): HA 3.799 3.799 4.031 -0.232 RESID 216 (F): C 176.989 176.989 177.262 -0.273 RESID 216 (F): CA 62.705 62.705 62.184 0.521 RESID 216 (F): CB 39.327 39.327 38.947 0.380 RESID 216 (F): H 8.651 8.651 7.902 0.749 RESID 217 (E): N 117.144 117.144 119.631 -2.487 RESID 217 (E): HA 3.863 3.863 4.193 -0.330 RESID 217 (E): C 177.894 177.894 179.062 -1.168 RESID 217 (E): CA 61.877 61.877 59.265 2.612 RESID 217 (E): CB 30.062 30.062 29.281 0.781 RESID 217 (E): H 8.650 8.650 9.059 -0.409 RESID 218 (A): N 119.130 119.130 122.618 -3.488 RESID 218 (A): HA 4.213 4.213 4.149 0.064 RESID 218 (A): C 180.238 180.238 179.291 0.947 RESID 218 (A): CA 55.118 55.118 55.033 0.085 RESID 218 (A): CB 18.020 18.020 18.394 -0.374 RESID 218 (A): H 7.759 7.759 7.643 0.116 RESID 219 (A): N 119.419 119.419 121.684 -2.265 RESID 219 (A): HA 4.146 4.146 4.069 0.077 RESID 219 (A): C 180.499 180.499 179.512 0.987 RESID 219 (A): CA 54.530 54.530 54.697 -0.167 RESID 219 (A): CB 18.890 18.890 18.414 0.476 RESID 219 (A): H 8.475 8.475 8.340 0.135 RESID 220 (F): N 120.754 120.754 118.927 1.827 RESID 220 (F): HA 4.196 4.196 3.872 0.324 RESID 220 (F): C 177.427 177.427 177.118 0.309 RESID 220 (F): CA 58.832 58.832 61.612 -2.780 RESID 220 (F): CB 39.740 39.740 38.364 1.376 RESID 220 (F): H 9.026 9.026 8.689 0.337 RESID 221 (N): N 116.941 116.941 116.663 0.278 RESID 221 (N): HA 4.390 4.390 4.452 -0.062 RESID 221 (N): CA 56.230 56.230 55.751 0.479 RESID 221 (N): CB 37.995 37.995 38.404 -0.409 RESID 221 (N): H 8.485 8.485 7.733 0.752 RESID 222 (D): N 119.493 119.493 120.857 -1.364 RESID 222 (D): HA 4.366 4.366 4.536 -0.170 RESID 222 (D): C 178.832 178.832 177.939 0.893 RESID 222 (D): CA 57.697 57.697 56.895 0.801 RESID 222 (D): CB 40.537 40.537 40.535 0.002 RESID 222 (D): H 8.283 8.283 8.196 0.087 RESID 223 (A): N 122.201 122.201 123.098 -0.897 RESID 223 (A): HA 4.138 4.138 3.947 0.191 RESID 223 (A): CA 54.892 54.892 55.106 -0.214 RESID 223 (A): CB 18.251 18.251 18.144 0.107 RESID 223 (A): H 8.175 8.175 8.410 -0.235 RESID 224 (I): N 122.960 122.960 117.170 5.790 RESID 224 (I): HA 3.396 3.396 3.487 -0.091 RESID 224 (I): C 178.030 178.030 178.126 -0.096 RESID 224 (I): CA 65.320 65.320 64.511 0.809 RESID 224 (I): CB 38.150 38.150 37.580 0.570 RESID 224 (I): H 8.525 8.525 7.260 1.265 RESID 225 (K): N 124.150 124.150 120.448 3.702 RESID 225 (K): HA 4.130 4.130 3.879 0.251 RESID 225 (K): C 179.190 179.190 178.385 0.805 RESID 225 (K): CA 58.594 58.594 59.069 -0.475 RESID 225 (K): CB 32.489 32.489 32.261 0.228 RESID 225 (K): H 8.457 8.457 7.371 1.086 RESID 226 (A): N 119.804 119.804 119.625 0.179 RESID 226 (A): HA 4.128 4.128 4.035 0.093 RESID 226 (A): C 181.843 181.843 180.226 1.617 RESID 226 (A): CA 55.012 55.012 54.838 0.174 RESID 226 (A): CB 18.473 18.473 18.245 0.228 RESID 226 (A): H 8.191 8.191 8.483 -0.292 RESID 227 (S): N 113.402 113.402 114.280 -0.878 RESID 227 (S): HA 4.350 4.350 4.358 -0.008 RESID 227 (S): C 176.071 176.071 176.725 -0.654 RESID 227 (S): CA 61.259 61.259 60.617 0.642 RESID 227 (S): CB 63.414 63.414 63.956 -0.542 RESID 227 (S): H 8.568 8.568 7.652 0.916 RESID 228 (T): N 109.170 109.170 114.739 -5.569 RESID 228 (T): HA 4.605 4.605 4.445 0.160 RESID 228 (T): CA 61.453 61.453 60.090 1.363 RESID 228 (T): CB 69.732 69.732 67.763 1.969 RESID 228 (T): H 7.804 7.804 7.785 0.019 RESID 229 (G): N 113.451 113.451 109.151 4.300 RESID 229 (G): C 178.132 178.132 174.850 3.282 RESID 229 (G): CA 47.149 47.149 43.977 3.172 RESID 229 (G): H 7.988 7.988 7.404 0.584 RESID 230 (G): N 105.298 105.298 107.570 -2.272 RESID 230 (G): C 173.856 173.856 173.620 0.236 RESID 230 (G): CA 44.492 44.492 44.967 -0.475 RESID 230 (G): H 8.792 8.792 8.376 0.416 RESID 231 (A): N 122.893 122.893 124.466 -1.573 RESID 231 (A): HA 3.777 3.777 4.116 -0.339 RESID 231 (A): C 177.041 177.041 175.583 1.458 RESID 231 (A): CA 54.513 54.513 52.207 2.306 RESID 231 (A): CB 18.998 18.998 18.896 0.102 RESID 231 (A): H 7.467 7.467 7.702 -0.235 RESID 232 (Y): N 112.629 112.629 116.960 -4.331 RESID 232 (Y): HA 4.396 4.396 4.642 -0.246 RESID 232 (Y): C 174.659 174.659 176.473 -1.814 RESID 232 (Y): CA 55.932 55.932 58.044 -2.112 RESID 232 (Y): CB 39.848 39.848 40.729 -0.881 RESID 232 (Y): H 7.332 7.332 7.900 -0.568 RESID 233 (E): N 117.684 117.684 117.546 0.138 RESID 233 (E): HA 3.790 3.790 3.950 -0.160 RESID 233 (E): C 174.348 174.348 175.060 -0.712 RESID 233 (E): CA 57.064 57.064 57.653 -0.589 RESID 233 (E): CB 30.734 30.734 28.559 2.175 RESID 233 (E): H 7.995 7.995 8.662 -0.667 RESID 234 (S): N 107.099 107.099 110.673 -3.574 RESID 234 (S): HA 4.495 4.495 4.471 0.024 RESID 234 (S): C 175.141 175.141 173.185 1.956 RESID 234 (S): CA 55.872 55.872 56.794 -0.922 RESID 234 (S): CB 64.988 64.988 64.652 0.336 RESID 234 (S): H 7.318 7.318 7.682 -0.364 RESID 235 (Y): N 119.162 119.162 119.689 -0.527 RESID 235 (Y): HA 4.093 4.093 4.907 -0.814 RESID 235 (Y): C 175.305 175.305 174.987 0.318 RESID 235 (Y): CA 59.694 59.694 57.095 2.599 RESID 235 (Y): CB 37.650 37.650 36.089 1.561 RESID 235 (Y): H 8.629 8.629 8.091 0.538 RESID 236 (K): N 118.163 118.163 119.342 -1.179 RESID 236 (K): HA 3.573 3.573 4.541 -0.968 RESID 236 (K): C 176.427 176.427 175.552 0.875 RESID 236 (K): CA 58.000 58.000 55.711 2.289 RESID 236 (K): CB 31.520 31.520 33.309 -1.789 RESID 236 (K): H 7.384 7.384 8.354 -0.970 RESID 237 (F): N 115.377 115.377 115.726 -0.349 RESID 237 (F): HA 4.433 4.433 3.514 0.919 RESID 237 (F): C 174.114 174.114 174.338 -0.224 RESID 237 (F): CA 57.852 57.852 56.555 1.297 RESID 237 (F): CB 39.745 39.745 39.271 0.474 RESID 237 (F): H 7.258 7.258 7.986 -0.728 RESID 238 (I): N 120.764 120.764 115.825 4.939 RESID 238 (I): HA 4.409 4.409 4.343 0.066 RESID 238 (I): CA 58.300 58.300 57.809 0.491 RESID 238 (I): CB 38.600 38.600 38.756 -0.156 RESID 238 (I): H 7.389 7.389 7.017 0.372 RESID 239 (P): HA 4.306 4.306 4.332 -0.026 RESID 239 (P): C 178.950 178.950 176.994 1.956 RESID 239 (P): CA 66.670 66.670 63.476 3.194 RESID 239 (P): CB 32.190 32.190 31.669 0.521 RESID 240 (A): N 118.854 118.854 124.759 -5.905 RESID 240 (A): HA 4.134 4.134 4.112 0.022 RESID 240 (A): CA 55.031 55.031 52.796 2.235 RESID 240 (A): CB 18.841 18.841 18.553 0.288 RESID 240 (A): H 9.101 9.101 8.355 0.746 RESID 241 (L): N 118.846 118.846 122.361 -3.515 RESID 241 (L): HA 4.250 4.250 3.909 0.341 RESID 241 (L): C 177.407 177.407 178.369 -0.962 RESID 241 (L): CA 56.333 56.333 58.755 -2.422 RESID 241 (L): CB 42.390 42.390 41.752 0.638 RESID 241 (L): H 7.731 7.731 7.880 -0.149 RESID 242 (E): N 122.048 122.048 119.760 2.288 RESID 242 (E): HA 3.961 3.961 4.049 -0.088 RESID 242 (E): C 178.465 178.465 178.101 0.364 RESID 242 (E): CA 60.820 60.820 59.714 1.106 RESID 242 (E): CB 28.886 28.886 29.599 -0.713 RESID 242 (E): H 8.705 8.705 8.586 0.119 RESID 243 (A): N 118.880 118.880 121.188 -2.308 RESID 243 (A): HA 4.038 4.038 4.340 -0.302 RESID 243 (A): C 179.841 179.841 179.530 0.311 RESID 243 (A): CA 54.930 54.930 54.019 0.911 RESID 243 (A): CB 17.700 17.700 18.600 -0.900 RESID 243 (A): H 8.105 8.105 7.410 0.695 RESID 244 (A): N 121.399 121.399 122.041 -0.642 RESID 244 (A): HA 4.037 4.037 3.994 0.043 RESID 244 (A): C 179.839 179.839 179.515 0.324 RESID 244 (A): CA 55.418 55.418 54.771 0.647 RESID 244 (A): H 7.491 7.491 8.439 -0.948 RESID 245 (V): N 120.239 120.239 117.530 2.709 RESID 245 (V): HA 3.382 3.382 3.494 -0.112 RESID 245 (V): C 177.909 177.909 177.976 -0.067 RESID 245 (V): CA 67.163 67.163 66.281 0.882 RESID 245 (V): CB 31.790 31.790 31.480 0.310 RESID 245 (V): H 8.612 8.612 8.426 0.186 RESID 246 (K): N 119.270 119.270 117.914 1.356 RESID 246 (K): HA 4.165 4.165 3.942 0.223 RESID 246 (K): C 180.603 180.603 178.529 2.074 RESID 246 (K): CA 60.553 60.553 58.857 1.696 RESID 246 (K): CB 31.828 31.828 31.933 -0.106 RESID 246 (K): H 8.366 8.366 7.561 0.805 RESID 247 (Q): N 120.085 120.085 119.401 0.684 RESID 247 (Q): HA 4.055 4.055 4.047 0.008 RESID 247 (Q): C 178.255 178.255 177.664 0.591 RESID 247 (Q): CA 58.524 58.524 59.024 -0.500 RESID 247 (Q): CB 28.234 28.234 28.411 -0.177 RESID 247 (Q): H 8.302 8.302 7.671 0.631 RESID 248 (A): N 125.463 125.463 121.545 3.918 RESID 248 (A): HA 3.877 3.877 4.042 -0.165 RESID 248 (A): C 179.700 179.700 179.843 -0.143 RESID 248 (A): CA 55.253 55.253 54.793 0.460 RESID 248 (A): CB 18.658 18.658 17.714 0.944 RESID 248 (A): H 8.194 8.194 7.521 0.673 RESID 249 (Y): N 116.381 116.381 117.644 -1.263 RESID 249 (Y): HA 4.300 4.300 4.550 -0.250 RESID 249 (Y): C 180.993 180.993 177.727 3.266 RESID 249 (Y): CA 63.361 63.361 59.976 3.385 RESID 249 (Y): CB 38.068 38.068 38.024 0.044 RESID 249 (Y): H 8.686 8.686 7.975 0.711 RESID 250 (A): N 124.956 124.956 120.812 4.144 RESID 250 (A): HA 4.161 4.161 4.351 -0.190 RESID 250 (A): C 179.621 179.621 177.825 1.796 RESID 250 (A): CA 55.220 55.220 53.063 2.157 RESID 250 (A): CB 17.500 17.500 18.617 -1.117 RESID 250 (A): H 8.448 8.448 7.785 0.663 RESID 251 (A): N 119.409 119.409 120.908 -1.499 RESID 251 (A): HA 4.163 4.163 4.373 -0.210 RESID 251 (A): C 178.588 178.588 179.022 -0.434 RESID 251 (A): CA 55.206 55.206 53.322 1.884 RESID 251 (A): CB 17.804 17.804 20.172 -2.368 RESID 251 (A): H 7.649 7.649 7.497 0.152 RESID 252 (T): N 106.194 106.194 112.176 -5.982 RESID 252 (T): HA 4.392 4.392 4.124 0.268 RESID 252 (T): C 176.679 176.679 174.077 2.602 RESID 252 (T): CA 62.376 62.376 62.406 -0.030 RESID 252 (T): CB 70.838 70.838 67.858 2.980 RESID 252 (T): H 7.806 7.806 8.094 -0.288 RESID 253 (V): N 121.805 121.805 116.409 5.396 RESID 253 (V): HA 3.754 3.754 4.154 -0.400 RESID 253 (V): C 176.213 176.213 174.795 1.418 RESID 253 (V): CA 65.339 65.339 61.165 4.174 RESID 253 (V): CB 31.971 31.971 31.546 0.425 RESID 253 (V): H 7.173 7.173 7.671 -0.498 RESID 254 (A): N 122.834 122.834 123.819 -0.985 RESID 254 (A): HA 4.457 4.457 4.210 0.247 RESID 254 (A): C 177.007 177.007 176.210 0.797 RESID 254 (A): CA 51.859 51.859 52.353 -0.494 RESID 254 (A): CB 18.494 18.494 17.872 0.622 RESID 254 (A): H 8.542 8.542 8.119 0.423 RESID 255 (T): N 114.241 114.241 116.734 -2.493 RESID 255 (T): HA 4.222 4.222 4.407 -0.185 RESID 255 (T): C 173.687 173.687 173.777 -0.090 RESID 255 (T): CA 62.138 62.138 61.551 0.587 RESID 255 (T): CB 70.584 70.584 69.486 1.098 RESID 255 (T): H 7.469 7.469 7.934 -0.465 RESID 256 (A): N 128.290 128.290 130.524 -2.234 RESID 256 (A): HA 4.515 4.515 4.032 0.483 RESID 256 (A): C 176.782 176.782 175.481 1.301 RESID 256 (A): CA 51.165 51.165 51.355 -0.190 RESID 256 (A): CB 17.596 17.596 18.050 -0.454 RESID 256 (A): H 8.625 8.625 8.717 -0.092 RESID 257 (P): HA 4.089 4.089 4.174 -0.085 RESID 257 (P): C 178.670 178.670 176.231 2.439 RESID 257 (P): CA 66.250 66.250 64.326 1.924 RESID 257 (P): CB 32.400 32.400 30.137 2.263 RESID 258 (E): N 115.538 115.538 121.707 -6.169 RESID 258 (E): HA 4.205 4.205 4.344 -0.139 RESID 258 (E): C 177.484 177.484 176.319 1.165 RESID 258 (E): CA 59.489 59.489 57.132 2.357 RESID 258 (E): CB 28.896 28.896 31.176 -2.280 RESID 258 (E): H 9.711 9.711 8.691 1.020 RESID 259 (V): N 113.043 113.043 114.698 -1.655 RESID 259 (V): HA 4.641 4.641 4.627 0.014 RESID 259 (V): C 175.536 175.536 176.312 -0.776 RESID 259 (V): CA 61.065 61.065 61.642 -0.577 RESID 259 (V): CB 32.652 32.652 32.154 0.498 RESID 259 (V): H 7.765 7.765 7.589 0.176 RESID 260 (K): N 121.849 121.849 122.806 -0.957 RESID 260 (K): HA 3.769 3.769 3.851 -0.082 RESID 260 (K): C 177.750 177.750 177.518 0.232 RESID 260 (K): CA 61.507 61.507 60.003 1.504 RESID 260 (K): CB 34.189 34.189 32.189 2.000 RESID 260 (K): H 7.415 7.415 8.498 -1.083 RESID 261 (Y): N 117.222 117.222 116.027 1.195 RESID 261 (Y): HA 3.803 3.803 4.320 -0.517 RESID 261 (Y): C 176.020 176.020 178.246 -2.226 RESID 261 (Y): CA 62.761 62.761 61.085 1.676 RESID 261 (Y): CB 36.982 36.982 37.885 -0.903 RESID 261 (Y): H 8.942 8.942 8.140 0.802 RESID 262 (T): N 115.869 115.869 117.766 -1.897 RESID 262 (T): HA 4.136 4.136 3.952 0.184 RESID 262 (T): C 177.136 177.136 176.596 0.540 RESID 262 (T): CA 68.855 68.855 66.629 2.226 RESID 262 (T): CB 66.818 66.818 68.581 -1.762 RESID 262 (T): H 7.822 7.822 8.100 -0.278 RESID 263 (V): N 123.471 123.471 121.529 1.942 RESID 263 (V): HA 3.507 3.507 3.574 -0.067 RESID 263 (V): C 178.020 178.020 177.208 0.812 RESID 263 (V): CA 67.000 67.000 66.906 0.094 RESID 263 (V): CB 31.699 31.699 31.573 0.126 RESID 263 (V): H 8.051 8.051 8.692 -0.641 RESID 264 (F): N 123.178 123.178 120.028 3.150 RESID 264 (F): HA 3.812 3.812 4.003 -0.191 RESID 264 (F): C 175.217 175.217 177.543 -2.326 RESID 264 (F): CA 60.720 60.720 61.787 -1.067 RESID 264 (F): CB 39.637 39.637 39.149 0.488 RESID 264 (F): H 8.047 8.047 7.505 0.542 RESID 265 (E): N 120.524 120.524 119.048 1.476 RESID 265 (E): HA 2.959 2.959 4.249 -1.290 RESID 265 (E): C 178.300 178.300 179.118 -0.818 RESID 265 (E): CA 59.854 59.854 59.503 0.351 RESID 265 (E): CB 30.318 30.318 29.900 0.418 RESID 265 (E): H 8.830 8.830 8.565 0.265 RESID 266 (T): N 114.371 114.371 117.675 -3.304 RESID 266 (T): HA 3.694 3.694 4.000 -0.306 RESID 266 (T): C 176.020 176.020 176.471 -0.451 RESID 266 (T): CA 66.645 66.645 66.674 -0.029 RESID 266 (T): CB 68.704 68.704 68.882 -0.178 RESID 266 (T): H 7.978 7.978 8.688 -0.710 RESID 267 (A): N 124.070 124.070 124.261 -0.191 RESID 267 (A): HA 3.899 3.899 4.067 -0.168 RESID 267 (A): C 180.615 180.615 179.219 1.396 RESID 267 (A): CA 54.950 54.950 55.309 -0.359 RESID 267 (A): CB 17.668 17.668 18.087 -0.419 RESID 267 (A): H 7.908 7.908 8.717 -0.809 RESID 268 (L): N 121.494 121.494 118.919 2.575 RESID 268 (L): HA 3.716 3.716 3.815 -0.099 RESID 268 (L): C 177.403 177.403 178.738 -1.335 RESID 268 (L): CA 57.095 57.095 57.836 -0.741 RESID 268 (L): CB 35.715 35.715 40.773 -5.058 RESID 268 (L): H 8.499 8.499 7.465 1.034 RESID 269 (K): N 118.900 118.900 119.555 -0.655 RESID 269 (K): HA 2.946 2.946 3.718 -0.772 RESID 269 (K): C 179.440 179.440 179.225 0.215 RESID 269 (K): CA 59.500 59.500 59.581 -0.081 RESID 269 (K): CB 31.880 31.880 32.233 -0.353 RESID 269 (K): H 7.678 7.678 7.659 0.019 RESID 270 (K): N 118.900 118.900 118.930 -0.030 RESID 270 (K): HA 3.814 3.814 3.990 -0.176 RESID 270 (K): C 178.960 178.960 178.809 0.151 RESID 270 (K): CA 59.770 59.770 59.071 0.699 RESID 270 (K): CB 32.330 32.330 32.144 0.187 RESID 270 (K): H 7.678 7.678 7.891 -0.213 RESID 271 (A): N 122.628 122.628 123.022 -0.394 RESID 271 (A): HA 4.078 4.078 4.054 0.024 RESID 271 (A): C 180.707 180.707 179.760 0.947 RESID 271 (A): CA 54.835 54.835 55.075 -0.241 RESID 271 (A): CB 18.694 18.694 18.371 0.323 RESID 271 (A): H 7.699 7.699 8.171 -0.472 RESID 272 (I): N 120.190 120.190 118.083 2.107 RESID 272 (I): HA 3.616 3.616 3.575 0.041 RESID 272 (I): C 178.458 178.458 178.433 0.025 RESID 272 (I): CA 65.296 65.296 65.123 0.173 RESID 272 (I): CB 37.724 37.724 37.789 -0.065 RESID 272 (I): H 8.519 8.519 8.316 0.203 RESID 273 (T): N 118.748 118.748 116.496 2.252 RESID 273 (T): HA 4.227 4.227 3.920 0.307 RESID 273 (T): C 176.122 176.122 176.342 -0.220 RESID 273 (T): CA 68.686 68.686 66.849 1.837 RESID 273 (T): CB 67.031 67.031 68.447 -1.416 RESID 273 (T): H 8.329 8.329 8.204 0.125 RESID 274 (A): N 122.829 122.829 124.912 -2.083 RESID 274 (A): HA 4.120 4.120 3.982 0.138 RESID 274 (A): C 180.580 180.580 179.492 1.088 RESID 274 (A): CA 55.013 55.013 55.181 -0.168 RESID 274 (A): CB 17.770 17.770 18.227 -0.456 RESID 274 (A): H 7.841 7.841 8.205 -0.364 RESID 275 (M): N 118.352 118.352 115.703 2.649 RESID 275 (M): HA 4.082 4.082 4.241 -0.159 RESID 275 (M): C 178.226 178.226 178.135 0.091 RESID 275 (M): CA 59.240 59.240 57.067 2.173 RESID 275 (M): CB 33.624 33.624 32.011 1.613 RESID 275 (M): H 7.886 7.886 8.046 -0.160 RESID 276 (S): N 115.242 115.242 115.533 -0.291 RESID 276 (S): HA 4.100 4.100 4.285 -0.185 RESID 276 (S): C 176.687 176.687 176.788 -0.101 RESID 276 (S): CA 60.920 60.920 60.881 0.039 RESID 276 (S): CB 62.763 62.763 63.120 -0.357 RESID 276 (S): H 8.154 8.154 7.663 0.491 RESID 277 (E): N 120.950 120.950 121.988 -1.038 RESID 277 (E): HA 3.990 3.990 4.087 -0.097 RESID 277 (E): C 178.562 178.562 178.666 -0.104 RESID 277 (E): CA 58.426 58.426 58.992 -0.566 RESID 277 (E): CB 29.510 29.510 29.818 -0.308 RESID 277 (E): H 8.336 8.336 8.408 -0.072 RESID 278 (A): N 121.655 121.655 121.634 0.021 RESID 278 (A): HA 4.137 4.137 4.081 0.056 RESID 278 (A): C 179.412 179.412 179.228 0.184 RESID 278 (A): CA 54.163 54.163 54.518 -0.355 RESID 278 (A): CB 18.234 18.234 18.184 0.050 RESID 278 (A): H 7.943 7.943 8.160 -0.217 RESID 279 (Q): N 116.951 116.951 118.632 -1.681 RESID 279 (Q): HA 4.138 4.138 4.043 0.095 RESID 279 (Q): C 177.164 177.164 177.840 -0.676 RESID 279 (Q): CA 56.987 56.987 58.319 -1.332 RESID 279 (Q): CB 28.602 28.602 28.436 0.166 RESID 279 (Q): H 7.791 7.791 7.804 -0.013 RESID 280 (K): N 119.993 119.993 116.260 3.733 RESID 280 (K): HA 4.089 4.089 4.130 -0.041 RESID 280 (K): C 176.909 176.909 176.362 0.547 RESID 280 (K): CA 57.700 57.700 57.695 0.005 RESID 280 (K): CB 32.860 32.860 32.965 -0.105 RESID 280 (K): H 7.863 7.863 7.732 0.131 RESID 281 (A): N 122.367 122.367 120.807 1.560 RESID 281 (A): HA 4.206 4.206 4.336 -0.130 RESID 281 (A): C 177.375 177.375 175.436 1.939 RESID 281 (A): CA 52.474 52.474 52.020 0.454 RESID 281 (A): CB 19.140 19.140 20.205 -1.065 RESID 281 (A): H 7.841 7.841 7.328 0.513 RESID 282 (A): N 122.465 122.465 124.578 -2.113 RESID 282 (A): HA 4.211 4.211 4.222 -0.011 RESID 282 (A): C 177.333 177.333 177.545 -0.212 RESID 282 (A): CA 52.413 52.413 52.471 -0.058 RESID 282 (A): CB 19.016 19.016 19.160 -0.144 RESID 282 (A): H 7.891 7.891 8.104 -0.213 RESID 283 (K): N 121.934 121.934 123.104 -1.170 RESID 283 (K): HA 4.560 4.560 4.538 0.022 RESID 283 (K): C 181.141 181.141 174.034 7.107 RESID 283 (K): CA 54.069 54.069 54.261 -0.192 RESID 283 (K): CB 32.644 32.644 31.853 0.791 RESID 283 (K): H 8.140 8.140 8.274 -0.134 RESID 284 (P): HA 4.331 4.331 4.348 -0.017 RESID 284 (P): C 172.250 172.250 177.645 -5.395 RESID 284 (P): CA 63.500 63.500 62.727 0.773 RESID 284 (P): CB 32.160 32.160 32.221 -0.061 N HA C CA CB H RESID 57 (G): -0.765 ----- 0.034 -0.016 ----- -0.016 RESID 58 (K): 2.813 -0.434 2.052 1.036 -1.660 0.873 RESID 59 (A): 0.207 -0.324 0.812 0.822 -0.317 0.185 RESID 60 (T): -0.838 -0.057 1.190 1.303 -0.185 0.170 RESID 61 (T): 5.403 -0.260 0.525 2.169 -1.788 0.454 RESID 62 (E): -1.759 0.028 1.200 -0.763 0.152 0.053 RESID 63 (E): -0.527 -0.155 -0.984 1.210 0.165 0.765 RESID 64 (Q): -0.616 -0.195 0.708 0.490 -0.039 0.198 RESID 65 (K): 0.822 -0.155 -0.429 0.775 -0.142 0.124 RESID 66 (L): -1.049 -0.009 0.067 0.559 -0.858 -0.682 RESID 67 (I): -0.396 0.246 0.908 -1.076 -1.272 -0.351 RESID 68 (E): 4.119 -0.044 3.296 1.597 -0.335 0.604 RESID 69 (K): 0.759 -0.094 2.010 1.375 0.297 -0.108 RESID 70 (I): 3.254 0.010 2.326 0.030 -1.725 0.576 RESID 71 (N): 2.048 0.385 1.741 -0.318 0.289 0.759 RESID 72 (A): 2.312 0.089 1.417 0.649 -0.509 0.782 RESID 73 (G): 2.917 ----- -1.487 0.248 ----- 0.871 RESID 74 (F): 3.464 -0.331 -0.434 3.042 1.025 0.769 RESID 75 (K): -0.243 0.064 1.053 0.601 0.535 -0.115 RESID 76 (A): 1.457 -0.018 2.162 0.052 -0.510 0.886 RESID 77 (A): 5.034 -0.304 -0.403 1.310 -1.290 1.024 RESID 78 (L): 2.282 0.347 0.719 0.513 1.321 -0.289 RESID 79 (A): -0.481 0.047 1.284 -0.188 -0.392 -0.326 RESID 80 (A): 2.852 -0.081 3.090 0.951 0.558 0.542 RESID 81 (A): -1.312 0.149 0.558 0.272 -0.419 1.175 RESID 82 (A): 0.414 -0.527 1.292 3.344 -2.256 0.571 RESID 83 (G): 20.974 ----- -0.160 -0.563 ----- -1.107 RESID 84 (V): -8.090 0.379 -0.233 -1.154 0.854 -0.517 RESID 85 (Q): -4.999 0.001 ----- -0.782 -1.411 0.268 RESID 86 (P): ----- 0.183 ----- -2.339 0.705 ----- RESID 87 (A): 0.043 -0.143 -0.883 2.780 -1.240 1.375 RESID 88 (D): -3.669 0.651 0.223 -2.208 2.900 -0.558 RESID 89 (K): 5.547 -0.641 -1.391 3.134 0.173 -0.495 RESID 90 (Y): 0.213 -0.736 -1.902 0.675 -1.413 0.807 RESID 91 (R): 0.076 -0.656 0.704 0.029 -0.793 0.397 RESID 92 (T): -1.014 -0.170 0.227 -0.171 0.322 -0.761 RESID 93 (F): 4.566 -0.271 -0.776 0.245 1.655 1.449 RESID 94 (V): -0.134 -0.614 1.188 1.337 0.625 0.572 RESID 95 (A): -0.466 -0.015 0.795 -0.304 -0.453 -0.391 RESID 96 (T): 0.707 0.045 0.182 2.566 -2.221 -0.523 RESID 97 (F): 0.759 -0.468 0.387 1.418 0.742 0.812 RESID 98 (G): 0.440 ----- 0.742 0.027 ----- 0.550 RESID 99 (A): -1.756 0.062 1.082 0.312 -0.426 -0.213 RESID 100 (A): 0.055 0.323 1.752 -0.495 -0.249 1.639 RESID 101 (S): 3.743 0.179 0.271 7.491 4.593 0.407 RESID 102 (N): ----- -0.000 ----- 0.086 -0.179 ----- RESID 103 (K): -1.219 0.109 -0.609 -0.260 0.167 -0.541 RESID 104 (A): -0.552 -0.151 0.011 -0.369 0.022 0.241 RESID 105 (F): -1.262 0.077 1.117 -0.870 -0.083 -0.178 RESID 106 (A): 3.692 -0.002 ----- -0.221 -0.104 -0.151 RESID 107 (E): -0.707 -0.269 -0.424 0.515 -0.149 0.563 RESID 108 (G): -0.265 ----- -0.624 0.604 ----- -0.042 RESID 109 (L): 2.147 0.315 -0.061 -0.442 0.041 0.500 RESID 110 (S): 4.507 0.206 -0.070 0.362 1.116 0.066 RESID 111 (G): 4.405 ----- -1.800 0.495 ----- 0.197 RESID 112 (E): 0.252 0.041 ----- -3.727 0.216 -0.473 RESID 113 (P): ----- -0.218 ----- 1.142 2.080 ----- RESID 114 (K): 2.374 0.289 0.836 -0.332 2.575 0.520 RESID 115 (G): 2.645 ----- 0.674 -0.110 ----- 0.489 RESID 116 (A): -2.939 -0.134 1.741 0.915 -0.884 0.292 RESID 117 (A): 0.033 0.230 0.485 -0.128 1.024 -0.182 RESID 118 (E): 0.983 0.184 -1.011 -1.173 0.651 -0.335 RESID 119 (S): 2.259 0.311 -0.990 -2.382 0.838 0.102 RESID 120 (S): 0.749 0.227 0.179 -1.349 0.227 0.385 RESID 121 (S): 3.567 -0.152 0.587 0.017 -0.753 0.286 RESID 122 (K): 2.253 -0.236 ----- 1.378 -0.129 0.200 RESID 123 (A): 0.925 0.057 ----- -0.758 -0.100 -0.121 RESID 124 (A): 0.993 0.010 ----- -0.297 0.164 0.088 RESID 125 (L): 1.178 -0.011 0.060 0.144 -0.265 0.530 RESID 126 (T): 1.008 -0.056 -0.058 1.284 -1.854 0.762 RESID 127 (S): -0.922 0.048 0.591 -0.471 -0.411 -0.892 RESID 128 (K): 0.441 0.033 0.959 0.916 0.703 -0.190 RESID 129 (L): 1.352 -0.647 -2.485 -0.337 -0.002 -0.091 RESID 130 (D): -2.177 -0.329 -0.088 -0.059 1.321 -0.814 RESID 131 (A): -2.861 -0.117 0.873 -0.194 -0.435 -0.546 RESID 132 (A): 1.601 -0.024 -0.100 -0.047 -0.044 0.067 RESID 133 (Y): -1.437 0.118 2.512 -4.245 -2.638 -0.249 RESID 134 (K): 1.568 0.122 -0.113 1.052 0.049 -0.021 RESID 135 (L): 1.420 0.158 2.135 0.140 0.362 -0.284 RESID 136 (A): 3.318 -0.310 -1.138 1.278 -0.767 0.097 RESID 137 (Y): -1.310 1.611 -0.303 2.322 0.891 0.588 RESID 138 (K): -0.722 0.332 1.103 -0.380 0.093 0.296 RESID 139 (T): 4.586 0.111 0.930 3.864 -1.436 0.509 RESID 140 (A): -0.018 -0.041 0.005 0.369 1.030 0.894 RESID 141 (E): 0.209 -0.322 -0.329 0.647 -0.391 0.763 RESID 142 (G): -3.949 ----- 0.880 0.493 ----- -0.151 RESID 143 (A): -0.180 -0.353 1.432 -0.916 -0.274 -0.206 RESID 144 (T): -2.309 -0.233 0.212 1.451 -2.189 0.060 RESID 145 (P): ----- -0.578 2.014 3.234 0.558 ----- RESID 146 (E): -5.081 0.025 0.148 1.147 -1.712 1.580 RESID 147 (A): 4.699 0.236 1.523 -0.474 2.152 0.533 RESID 148 (K): -0.760 -0.601 -0.082 2.736 0.706 -0.781 RESID 149 (Y): -2.899 -0.275 -1.822 0.922 -0.626 0.572 RESID 150 (D): -0.837 -0.512 0.577 0.050 0.245 -0.181 RESID 152 (Y): ----- -0.312 -0.582 3.057 1.386 ----- RESID 153 (V): -2.482 0.029 0.813 1.246 0.771 0.501 RESID 154 (A): 1.001 -0.003 -2.691 -0.301 0.061 -0.222 RESID 155 (T): -2.530 -0.130 0.234 -0.452 -0.003 -0.494 RESID 156 (L): 2.634 -0.192 ----- 0.144 0.766 0.685 RESID 157 (S): -2.583 -0.257 1.027 0.786 -1.528 0.594 RESID 158 (E): -1.775 0.121 -1.012 -0.607 -0.460 -0.378 RESID 159 (A): -1.203 -0.020 1.068 0.043 0.096 -0.569 RESID 160 (L): -3.158 -0.275 0.577 0.383 -0.844 0.831 RESID 161 (R): 2.689 -0.192 0.471 0.785 -0.327 -0.640 RESID 162 (I): -0.449 -0.138 2.635 0.438 -0.170 -0.566 RESID 163 (I): ----- -0.191 ----- 0.931 0.681 ----- RESID 164 (A): 0.709 -0.223 1.545 1.007 -0.270 0.844 RESID 165 (G): 0.410 ----- 0.364 1.156 ----- 0.184 RESID 166 (T): -1.018 -0.089 -0.026 0.281 -0.003 0.336 RESID 167 (L): 0.679 -0.253 0.926 0.492 -0.346 -0.040 RESID 168 (E): -1.229 -0.136 0.303 -0.013 0.032 0.008 RESID 169 (V): 0.883 -0.609 0.417 -4.236 ----- -0.041 RESID 170 (H): 2.272 -0.003 -0.914 -1.569 -0.442 -0.116 RESID 171 (A): 4.278 -0.202 0.770 0.521 -1.789 0.644 RESID 172 (V): 1.463 0.383 1.679 -0.724 1.307 0.229 RESID 173 (K): 9.224 ----- -0.268 -2.157 1.856 0.012 RESID 174 (P): ----- -0.006 ----- -0.415 0.187 ----- RESID 175 (A): 0.305 -0.220 1.160 1.623 0.138 -0.270 RESID 176 (A): 0.216 -0.021 0.164 0.570 0.123 0.464 RESID 177 (E): -2.006 -0.211 0.756 -0.557 1.112 -0.076 RESID 178 (E): -2.269 -0.249 1.384 0.128 -0.355 -0.123 RESID 179 (V): 2.089 -0.488 0.858 0.981 -0.975 -0.084 RESID 180 (K): 2.040 -0.355 1.023 -0.163 0.679 -0.087 RESID 181 (V): 3.108 -0.509 0.592 0.421 -0.177 0.009 RESID 182 (I): 4.471 ----- 0.192 -0.879 0.868 0.216 RESID 183 (P): ----- -0.229 0.823 0.961 -0.151 ----- RESID 184 (A): 1.527 -0.374 1.931 1.585 -1.063 0.189 RESID 185 (G): -3.078 ----- -0.041 -0.247 ----- -0.001 RESID 186 (E): 0.121 -0.393 -0.206 1.644 0.098 -0.206 RESID 187 (L): -0.215 -0.105 -1.118 -0.639 1.194 0.226 RESID 188 (Q): -0.086 0.111 -0.659 -0.918 0.405 -0.278 RESID 189 (V): -1.104 -0.060 -0.288 -0.738 0.285 0.319 RESID 190 (I): 0.531 0.009 0.378 -0.657 -1.089 0.657 RESID 191 (E): 0.443 0.232 0.626 0.150 0.034 0.404 RESID 192 (K): -1.419 0.119 0.119 -1.203 -0.722 -0.205 RESID 193 (V): 2.986 -0.089 -0.807 0.105 -0.343 0.846 RESID 194 (D): 2.163 -0.007 0.053 0.770 0.986 0.736 RESID 195 (A): -1.945 -0.074 0.679 0.435 -0.463 0.500 RESID 196 (A): 0.344 -0.051 -0.548 0.154 1.106 0.076 RESID 197 (F): 1.434 -0.452 -1.741 0.595 -0.217 1.311 RESID 198 (K): -1.495 -0.226 1.516 0.055 0.006 -0.448 RESID 199 (V): 2.164 -0.132 1.011 0.584 0.976 -0.507 RESID 200 (A): 3.901 -0.495 -0.465 0.631 0.520 0.653 RESID 201 (A): -1.315 -0.011 1.404 -0.329 -0.236 -0.894 RESID 202 (T): 1.820 0.129 -0.965 -4.492 -6.946 0.421 RESID 203 (A): 0.879 -0.096 2.336 0.594 -0.444 -0.192 RESID 204 (A): 2.802 0.069 0.587 2.037 -0.397 1.196 RESID 205 (N): -3.561 -0.178 -1.320 1.063 1.251 -0.271 RESID 206 (A): -2.591 0.073 -0.440 3.715 -0.772 -0.443 RESID 207 (A): 0.394 0.362 -2.706 -0.164 -0.216 -0.033 RESID 208 (P): ----- 0.139 0.999 -0.601 2.282 ----- RESID 209 (A): 4.867 0.041 1.935 2.467 1.587 0.501 RESID 210 (N): -3.870 -0.088 1.858 1.039 -0.684 0.885 RESID 211 (D): 2.676 0.266 0.991 0.680 1.182 0.277 RESID 212 (K): -2.564 -0.994 0.643 5.052 -0.583 -1.432 RESID 213 (F): -5.933 -0.066 0.536 0.119 0.880 -0.296 RESID 214 (T): 0.831 ----- 1.856 -1.872 0.364 -0.461 RESID 215 (V): 2.349 -0.065 0.473 0.434 0.177 0.669 RESID 216 (F): -2.478 -0.232 -0.273 0.521 0.380 0.749 RESID 217 (E): -2.487 -0.330 -1.168 2.612 0.781 -0.409 RESID 218 (A): -3.488 0.064 0.947 0.085 -0.374 0.116 RESID 219 (A): -2.265 0.077 0.987 -0.167 0.476 0.135 RESID 220 (F): 1.827 0.324 0.309 -2.780 1.376 0.337 RESID 221 (N): 0.278 -0.062 ----- 0.479 -0.409 0.752 RESID 222 (D): -1.364 -0.170 0.893 0.801 0.002 0.087 RESID 223 (A): -0.897 0.191 ----- -0.214 0.107 -0.235 RESID 224 (I): 5.790 -0.091 -0.096 0.809 0.570 1.265 RESID 225 (K): 3.702 0.251 0.805 -0.475 0.228 1.086 RESID 226 (A): 0.179 0.093 1.617 0.174 0.228 -0.292 RESID 227 (S): -0.878 -0.008 -0.654 0.642 -0.542 0.916 RESID 228 (T): -5.569 0.160 ----- 1.363 1.969 0.019 RESID 229 (G): 4.300 ----- 3.282 3.172 ----- 0.584 RESID 230 (G): -2.272 ----- 0.236 -0.475 ----- 0.416 RESID 231 (A): -1.573 -0.339 1.458 2.306 0.102 -0.235 RESID 232 (Y): -4.331 -0.246 -1.814 -2.112 -0.881 -0.568 RESID 233 (E): 0.138 -0.160 -0.712 -0.589 2.175 -0.667 RESID 234 (S): -3.574 0.024 1.956 -0.922 0.336 -0.364 RESID 235 (Y): -0.527 -0.814 0.318 2.599 1.561 0.538 RESID 236 (K): -1.179 -0.968 0.875 2.289 -1.789 -0.970 RESID 237 (F): -0.349 0.919 -0.224 1.297 0.474 -0.728 RESID 238 (I): 4.939 0.066 ----- 0.491 -0.156 0.372 RESID 239 (P): ----- -0.026 1.956 3.194 0.521 ----- RESID 240 (A): -5.905 0.022 ----- 2.235 0.288 0.746 RESID 241 (L): -3.515 0.341 -0.962 -2.422 0.638 -0.149 RESID 242 (E): 2.288 -0.088 0.364 1.106 -0.713 0.119 RESID 243 (A): -2.308 -0.302 0.311 0.911 -0.900 0.695 RESID 244 (A): -0.642 0.043 0.324 0.647 ----- -0.948 RESID 245 (V): 2.709 -0.112 -0.067 0.882 0.310 0.186 RESID 246 (K): 1.356 0.223 2.074 1.696 -0.106 0.805 RESID 247 (Q): 0.684 0.008 0.591 -0.500 -0.177 0.631 RESID 248 (A): 3.918 -0.165 -0.143 0.460 0.944 0.673 RESID 249 (Y): -1.263 -0.250 3.266 3.385 0.044 0.711 RESID 250 (A): 4.144 -0.190 1.796 2.157 -1.117 0.663 RESID 251 (A): -1.499 -0.210 -0.434 1.884 -2.368 0.152 RESID 252 (T): -5.982 0.268 2.602 -0.030 2.980 -0.288 RESID 253 (V): 5.396 -0.400 1.418 4.174 0.425 -0.498 RESID 254 (A): -0.985 0.247 0.797 -0.494 0.622 0.423 RESID 255 (T): -2.493 -0.185 -0.090 0.587 1.098 -0.465 RESID 256 (A): -2.234 0.483 1.301 -0.190 -0.454 -0.092 RESID 257 (P): ----- -0.085 2.439 1.924 2.263 ----- RESID 258 (E): -6.169 -0.139 1.165 2.357 -2.280 1.020 RESID 259 (V): -1.655 0.014 -0.776 -0.577 0.498 0.176 RESID 260 (K): -0.957 -0.082 0.232 1.504 2.000 -1.083 RESID 261 (Y): 1.195 -0.517 -2.226 1.676 -0.903 0.802 RESID 262 (T): -1.897 0.184 0.540 2.226 -1.762 -0.278 RESID 263 (V): 1.942 -0.067 0.812 0.094 0.126 -0.641 RESID 264 (F): 3.150 -0.191 -2.326 -1.067 0.488 0.542 RESID 265 (E): 1.476 -1.290 -0.818 0.351 0.418 0.265 RESID 266 (T): -3.304 -0.306 -0.451 -0.029 -0.178 -0.710 RESID 267 (A): -0.191 -0.168 1.396 -0.359 -0.419 -0.809 RESID 268 (L): 2.575 -0.099 -1.335 -0.741 -5.058 1.034 RESID 269 (K): -0.655 -0.772 0.215 -0.081 -0.353 0.019 RESID 270 (K): -0.030 -0.176 0.151 0.699 0.187 -0.213 RESID 271 (A): -0.394 0.024 0.947 -0.241 0.323 -0.472 RESID 272 (I): 2.107 0.041 0.025 0.173 -0.065 0.203 RESID 273 (T): 2.252 0.307 -0.220 1.837 -1.416 0.125 RESID 274 (A): -2.083 0.138 1.088 -0.168 -0.456 -0.364 RESID 275 (M): 2.649 -0.159 0.091 2.173 1.613 -0.160 RESID 276 (S): -0.291 -0.185 -0.101 0.039 -0.357 0.491 RESID 277 (E): -1.038 -0.097 -0.104 -0.566 -0.308 -0.072 RESID 278 (A): 0.021 0.056 0.184 -0.355 0.050 -0.217 RESID 279 (Q): -1.681 0.095 -0.676 -1.332 0.166 -0.013 RESID 280 (K): 3.733 -0.041 0.547 0.005 -0.105 0.131 RESID 281 (A): 1.560 -0.130 1.939 0.454 -1.065 0.513 RESID 282 (A): -2.113 -0.011 -0.212 -0.058 -0.144 -0.213 RESID 283 (K): -1.170 0.022 7.107 -0.192 0.791 -0.134 RESID 284 (P): ----- -0.017 -5.395 0.773 -0.061 ----- DATA CS_STAT_INFO N RMS: 2.977 ppm Count: 216 Average Difference: -0.332 +/- 2.965 ppm DATA CS_STAT_INFO HA RMS: 0.309 ppm Count: 233 Average Difference: 0.068 +/- 0.302 ppm DATA CS_STAT_INFO C RMS: 1.333 ppm Count: 211 Average Difference: -0.410 +/- 1.271 ppm DATA CS_STAT_INFO CA RMS: 1.520 ppm Count: 228 Average Difference: -0.430 +/- 1.461 ppm DATA CS_STAT_INFO CB RMS: 1.180 ppm Count: 214 Average Difference: -0.005 +/- 1.182 ppm DATA CS_STAT_INFO HN RMS: 0.572 ppm Count: 216 Average Difference: -0.143 +/- 0.555 ppm ############################################################################ For conformer 4: Atom Original Corrected SPARTA Difference RESID 56 (A): N 123.960 123.960 123.775 0.185 RESID 56 (A): HA 4.219 4.219 4.251 -0.032 RESID 56 (A): C 177.886 177.886 178.309 -0.423 RESID 56 (A): CA 52.782 52.782 53.148 -0.366 RESID 56 (A): CB 19.246 19.246 19.201 0.045 RESID 56 (A): H 8.814 8.814 8.323 0.491 RESID 57 (G): N 108.854 108.854 106.418 2.436 RESID 57 (G): C 173.751 173.751 173.173 0.578 RESID 57 (G): CA 45.130 45.130 44.916 0.214 RESID 57 (G): H 8.524 8.524 8.788 -0.264 RESID 58 (K): N 120.911 120.911 118.982 1.929 RESID 58 (K): HA 4.301 4.301 4.523 -0.222 RESID 58 (K): C 176.244 176.244 174.952 1.292 RESID 58 (K): CA 55.941 55.941 55.478 0.463 RESID 58 (K): CB 33.552 33.552 35.018 -1.466 RESID 58 (K): H 8.206 8.206 8.401 -0.195 RESID 59 (A): N 126.086 126.086 124.734 1.352 RESID 59 (A): HA 4.354 4.354 4.547 -0.193 RESID 59 (A): C 177.815 177.815 177.011 0.804 RESID 59 (A): CA 52.346 52.346 52.595 -0.249 RESID 59 (A): CB 19.479 19.479 18.946 0.533 RESID 59 (A): H 8.518 8.518 8.452 0.066 RESID 60 (T): N 114.453 114.453 115.087 -0.634 RESID 60 (T): HA 4.434 4.434 4.487 -0.053 RESID 60 (T): C 175.282 175.282 173.912 1.370 RESID 60 (T): CA 61.740 61.740 60.711 1.030 RESID 60 (T): CB 70.210 70.210 70.046 0.164 RESID 60 (T): H 8.402 8.402 8.268 0.134 RESID 61 (T): N 115.217 115.217 113.026 2.191 RESID 61 (T): HA 4.360 4.360 4.597 -0.237 RESID 61 (T): C 175.851 175.851 174.971 0.880 RESID 61 (T): CA 61.847 61.847 60.264 1.583 RESID 61 (T): CB 70.682 70.682 71.278 -0.596 RESID 61 (T): H 8.429 8.429 7.990 0.439 RESID 62 (E): N 120.843 120.843 122.194 -1.351 RESID 62 (E): HA 3.923 3.923 3.991 -0.068 RESID 62 (E): C 179.517 179.517 178.332 1.185 RESID 62 (E): CA 59.568 59.568 59.514 0.054 RESID 62 (E): CB 29.223 29.223 29.761 -0.537 RESID 62 (E): H 9.049 9.049 9.090 -0.041 RESID 63 (E): N 119.900 119.900 119.745 0.155 RESID 63 (E): HA 3.768 3.768 3.907 -0.139 RESID 63 (E): C 177.635 177.635 179.247 -1.612 RESID 63 (E): CA 60.882 60.882 60.135 0.747 RESID 63 (E): CB 29.410 29.410 28.811 0.599 RESID 63 (E): H 8.857 8.857 8.555 0.302 RESID 64 (Q): N 118.374 118.374 117.645 0.729 RESID 64 (Q): HA 3.821 3.821 4.012 -0.191 RESID 64 (Q): C 178.986 178.986 178.535 0.451 RESID 64 (Q): CA 58.831 58.831 58.391 0.441 RESID 64 (Q): CB 28.480 28.480 28.263 0.217 RESID 64 (Q): H 7.923 7.923 7.736 0.187 RESID 65 (K): N 119.234 119.234 121.036 -1.802 RESID 65 (K): HA 3.940 3.940 4.039 -0.099 RESID 65 (K): C 178.993 178.993 179.212 -0.219 RESID 65 (K): CA 59.547 59.547 59.382 0.165 RESID 65 (K): CB 32.502 32.502 32.282 0.220 RESID 65 (K): H 8.258 8.258 7.900 0.358 RESID 66 (L): N 120.500 120.500 121.202 -0.702 RESID 66 (L): HA 4.060 4.060 4.067 -0.007 RESID 66 (L): C 178.729 178.729 178.684 0.045 RESID 66 (L): CA 58.217 58.217 57.994 0.223 RESID 66 (L): CB 41.328 41.328 42.163 -0.834 RESID 66 (L): H 7.786 7.786 8.540 -0.754 RESID 67 (I): N 118.533 118.533 119.128 -0.595 RESID 67 (I): HA 3.817 3.817 3.656 0.161 RESID 67 (I): C 177.644 177.644 177.484 0.160 RESID 67 (I): CA 62.837 62.837 63.852 -1.015 RESID 67 (I): CB 36.617 36.617 37.914 -1.297 RESID 67 (I): H 8.049 8.049 8.726 -0.677 RESID 68 (E): N 121.332 121.332 119.368 1.964 RESID 68 (E): HA 4.117 4.117 4.078 0.039 RESID 68 (E): C 181.037 181.037 178.316 2.721 RESID 68 (E): CA 59.800 59.800 58.863 0.937 RESID 68 (E): CB 29.330 29.330 29.680 -0.350 RESID 68 (E): H 8.178 8.178 7.907 0.271 RESID 69 (K): N 120.580 120.580 119.464 1.116 RESID 69 (K): HA 4.120 4.120 4.121 -0.001 RESID 69 (K): C 180.563 180.563 178.862 1.701 RESID 69 (K): CA 59.667 59.667 58.748 0.919 RESID 69 (K): CB 33.436 33.436 32.711 0.725 RESID 69 (K): H 7.921 7.921 7.689 0.232 RESID 70 (I): N 123.857 123.857 119.940 3.917 RESID 70 (I): HA 3.761 3.761 3.634 0.127 RESID 70 (I): C 178.582 178.582 176.327 2.255 RESID 70 (I): CA 63.442 63.442 63.857 -0.415 RESID 70 (I): CB 36.146 36.146 37.820 -1.674 RESID 70 (I): H 8.533 8.533 8.296 0.237 RESID 71 (N): N 121.132 121.132 118.478 2.654 RESID 71 (N): HA 4.596 4.596 4.241 0.355 RESID 71 (N): C 178.680 178.680 176.862 1.818 RESID 71 (N): CA 56.116 56.116 56.688 -0.572 RESID 71 (N): CB 37.991 37.991 37.749 0.242 RESID 71 (N): H 9.041 9.041 8.051 0.990 RESID 72 (A): N 123.574 123.574 121.528 2.046 RESID 72 (A): HA 4.231 4.231 4.068 0.163 RESID 72 (A): C 181.206 181.206 179.726 1.480 RESID 72 (A): CA 55.491 55.491 55.165 0.326 RESID 72 (A): CB 17.697 17.697 18.042 -0.345 RESID 72 (A): H 8.361 8.361 7.644 0.717 RESID 73 (G): N 109.949 109.949 107.123 2.826 RESID 73 (G): C 175.146 175.146 176.621 -1.475 RESID 73 (G): CA 47.137 47.137 47.049 0.088 RESID 73 (G): H 8.429 8.429 7.666 0.763 RESID 74 (F): N 124.896 124.896 121.842 3.054 RESID 74 (F): HA 4.079 4.079 4.358 -0.279 RESID 74 (F): C 177.084 177.084 177.822 -0.738 RESID 74 (F): CA 62.295 62.295 59.140 3.155 RESID 74 (F): CB 39.696 39.696 38.621 1.075 RESID 74 (F): H 9.000 9.000 8.543 0.457 RESID 75 (K): N 118.457 118.457 119.873 -1.416 RESID 75 (K): HA 4.009 4.009 3.985 0.024 RESID 75 (K): C 179.824 179.824 178.986 0.838 RESID 75 (K): CA 60.011 60.011 59.201 0.810 RESID 75 (K): CB 32.450 32.450 31.743 0.707 RESID 75 (K): H 8.165 8.165 9.008 -0.843 RESID 76 (A): N 122.983 122.983 121.272 1.711 RESID 76 (A): HA 4.127 4.127 4.124 0.003 RESID 76 (A): C 180.654 180.654 179.708 0.946 RESID 76 (A): CA 54.723 54.723 55.001 -0.278 RESID 76 (A): CB 17.580 17.580 18.071 -0.491 RESID 76 (A): H 8.429 8.429 8.120 0.309 RESID 77 (A): N 124.931 124.931 121.147 3.784 RESID 77 (A): HA 3.765 3.765 4.057 -0.292 RESID 77 (A): C 178.922 178.922 179.523 -0.601 RESID 77 (A): CA 55.160 55.160 54.436 0.724 RESID 77 (A): CB 18.170 18.170 18.382 -0.212 RESID 77 (A): H 8.407 8.407 7.295 1.112 RESID 78 (L): N 121.008 121.008 118.680 2.328 RESID 78 (L): HA 4.180 4.180 3.778 0.402 RESID 78 (L): C 180.456 180.456 179.692 0.764 RESID 78 (L): CA 58.160 58.160 57.573 0.587 RESID 78 (L): CB 42.895 42.895 41.845 1.050 RESID 78 (L): H 8.412 8.412 8.456 -0.044 RESID 79 (A): N 121.505 121.505 121.370 0.135 RESID 79 (A): HA 4.133 4.133 4.145 -0.012 RESID 79 (A): C 180.329 180.329 179.233 1.096 RESID 79 (A): CA 54.697 54.697 54.703 -0.006 RESID 79 (A): CB 17.662 17.662 17.950 -0.288 RESID 79 (A): H 7.813 7.813 8.795 -0.982 RESID 80 (A): N 121.520 121.520 120.333 1.187 RESID 80 (A): HA 4.055 4.055 4.131 -0.076 RESID 80 (A): C 181.040 181.040 178.567 2.473 RESID 80 (A): CA 54.340 54.340 53.933 0.407 RESID 80 (A): CB 18.700 18.700 18.352 0.348 RESID 80 (A): H 8.278 8.278 7.479 0.799 RESID 81 (A): N 119.451 119.451 120.472 -1.021 RESID 81 (A): HA 4.179 4.179 4.332 -0.153 RESID 81 (A): C 178.308 178.308 177.546 0.762 RESID 81 (A): CA 53.950 53.950 53.942 0.008 RESID 81 (A): CB 18.900 18.900 19.536 -0.636 RESID 81 (A): H 8.428 8.428 7.568 0.860 RESID 82 (A): N 119.868 119.868 119.765 0.103 RESID 82 (A): HA 4.018 4.018 4.563 -0.545 RESID 82 (A): C 178.696 178.696 176.949 1.747 RESID 82 (A): CA 54.290 54.290 51.285 3.005 RESID 82 (A): CB 18.200 18.200 20.502 -2.302 RESID 82 (A): H 7.860 7.860 7.441 0.419 RESID 83 (G): N 128.265 128.265 109.580 18.685 RESID 83 (G): C 174.104 174.104 174.692 -0.588 RESID 83 (G): CA 44.978 44.978 44.907 0.071 RESID 83 (G): H 7.429 7.429 8.671 -1.242 RESID 84 (V): N 111.883 111.883 119.266 -7.383 RESID 84 (V): HA 4.801 4.801 4.157 0.644 RESID 84 (V): C 175.136 175.136 175.778 -0.642 RESID 84 (V): CA 58.875 58.875 61.838 -2.963 RESID 84 (V): CB 34.417 34.417 32.241 2.176 RESID 84 (V): H 7.052 7.052 8.012 -0.960 RESID 85 (Q): N 119.223 119.223 119.430 -0.207 RESID 85 (Q): HA 4.410 4.410 4.548 -0.138 RESID 85 (Q): CA 54.350 54.350 53.455 0.895 RESID 85 (Q): CB 26.663 26.663 28.306 -1.643 RESID 85 (Q): H 8.687 8.687 8.346 0.341 RESID 86 (P): HA 4.345 4.345 4.094 0.251 RESID 86 (P): CA 62.130 62.130 64.219 -2.089 RESID 86 (P): CB 32.330 32.330 29.957 2.373 RESID 87 (A): N 118.968 118.968 125.721 -6.753 RESID 87 (A): HA 4.177 4.177 4.208 -0.031 RESID 87 (A): C 177.901 177.901 175.839 2.062 RESID 87 (A): CA 54.580 54.580 51.833 2.748 RESID 87 (A): CB 18.675 18.675 19.929 -1.254 RESID 87 (A): H 8.949 8.949 7.936 1.013 RESID 88 (D): N 114.859 114.859 117.476 -2.617 RESID 88 (D): HA 5.032 5.032 4.387 0.645 RESID 88 (D): C 177.564 177.564 176.248 1.316 RESID 88 (D): CA 54.500 54.500 55.895 -1.395 RESID 88 (D): CB 43.027 43.027 40.500 2.527 RESID 88 (D): H 8.201 8.201 8.751 -0.550 RESID 89 (K): N 124.691 124.691 116.363 8.328 RESID 89 (K): HA 3.367 3.367 4.178 -0.811 RESID 89 (K): C 177.108 177.108 178.034 -0.926 RESID 89 (K): CA 62.300 62.300 58.448 3.852 RESID 89 (K): CB 32.541 32.541 32.166 0.375 RESID 89 (K): H 7.553 7.553 8.255 -0.702 RESID 90 (Y): N 119.522 119.522 122.043 -2.521 RESID 90 (Y): HA 4.226 4.226 4.859 -0.633 RESID 90 (Y): C 175.856 175.856 177.378 -1.522 RESID 90 (Y): CA 62.070 62.070 60.241 1.829 RESID 90 (Y): CB 37.336 37.336 38.466 -1.130 RESID 90 (Y): H 9.244 9.244 8.161 1.083 RESID 91 (R): N 118.233 118.233 117.654 0.579 RESID 91 (R): HA 3.603 3.603 3.915 -0.312 RESID 91 (R): C 179.347 179.347 178.697 0.650 RESID 91 (R): CA 59.173 59.173 59.727 -0.554 RESID 91 (R): CB 29.209 29.209 29.493 -0.284 RESID 91 (R): H 8.973 8.973 8.769 0.204 RESID 92 (T): N 116.043 116.043 115.124 0.919 RESID 92 (T): HA 3.912 3.912 4.095 -0.183 RESID 92 (T): C 176.425 176.425 176.440 -0.015 RESID 92 (T): CA 67.061 67.061 66.015 1.046 RESID 92 (T): CB 68.762 68.762 68.319 0.443 RESID 92 (T): H 7.949 7.949 7.654 0.295 RESID 93 (F): N 125.587 125.587 122.714 2.873 RESID 93 (F): HA 3.764 3.764 4.136 -0.372 RESID 93 (F): C 177.008 177.008 177.200 -0.192 RESID 93 (F): CA 62.783 62.783 61.801 0.982 RESID 93 (F): CB 39.771 39.771 38.916 0.855 RESID 93 (F): H 9.047 9.047 7.594 1.453 RESID 94 (V): N 118.057 118.057 119.256 -1.199 RESID 94 (V): HA 3.285 3.285 3.890 -0.605 RESID 94 (V): C 179.641 179.641 177.766 1.875 RESID 94 (V): CA 67.046 67.046 65.106 1.940 RESID 94 (V): CB 31.890 31.890 31.689 0.201 RESID 94 (V): H 8.540 8.540 7.655 0.885 RESID 95 (A): N 121.659 121.659 120.772 0.887 RESID 95 (A): HA 4.076 4.076 4.337 -0.261 RESID 95 (A): C 180.431 180.431 179.357 1.074 RESID 95 (A): CA 55.002 55.002 54.745 0.257 RESID 95 (A): CB 18.135 18.135 18.558 -0.423 RESID 95 (A): H 8.056 8.056 8.481 -0.425 RESID 96 (T): N 115.396 115.396 116.178 -0.782 RESID 96 (T): HA 4.197 4.197 4.165 0.032 RESID 96 (T): C 176.605 176.605 175.520 1.085 RESID 96 (T): CA 68.450 68.450 66.262 2.188 RESID 96 (T): CB 66.738 66.738 68.857 -2.119 RESID 96 (T): H 7.904 7.904 8.761 -0.857 RESID 97 (F): N 123.502 123.502 122.587 0.915 RESID 97 (F): HA 3.628 3.628 3.819 -0.191 RESID 97 (F): C 177.130 177.130 176.492 0.638 RESID 97 (F): CA 61.883 61.883 61.224 0.659 RESID 97 (F): CB 39.300 39.300 38.380 0.920 RESID 97 (F): H 9.024 9.024 7.591 1.433 RESID 98 (G): N 107.348 107.348 106.205 1.143 RESID 98 (G): C 175.718 175.718 174.960 0.758 RESID 98 (G): CA 46.926 46.926 46.797 0.129 RESID 98 (G): H 8.476 8.476 7.829 0.647 RESID 99 (A): N 122.344 122.344 124.630 -2.286 RESID 99 (A): HA 4.130 4.130 4.275 -0.145 RESID 99 (A): C 180.299 180.299 179.283 1.016 RESID 99 (A): CA 54.856 54.856 54.248 0.607 RESID 99 (A): CB 17.755 17.755 18.375 -0.620 RESID 99 (A): H 7.404 7.404 7.185 0.219 RESID 100 (A): N 121.274 121.274 120.605 0.669 RESID 100 (A): HA 4.207 4.207 3.952 0.255 RESID 100 (A): C 181.140 181.140 179.533 1.607 RESID 100 (A): CA 54.496 54.496 54.926 -0.430 RESID 100 (A): CB 17.543 17.543 18.291 -0.748 RESID 100 (A): H 9.009 9.009 8.148 0.861 RESID 101 (S): N 116.676 116.676 113.194 3.482 RESID 101 (S): HA 4.202 4.202 4.049 0.153 RESID 101 (S): C 176.687 176.687 176.292 0.395 RESID 101 (S): CA 68.500 68.500 61.174 7.326 RESID 101 (S): CB 67.022 67.022 62.154 4.868 RESID 101 (S): H 7.861 7.861 7.921 -0.060 RESID 102 (N): HA 4.281 4.281 4.216 0.065 RESID 102 (N): CA 55.960 55.960 56.650 -0.690 RESID 102 (N): CB 37.701 37.701 38.145 -0.444 RESID 103 (K): N 120.130 120.130 121.070 -0.940 RESID 103 (K): HA 4.009 4.009 3.927 0.082 RESID 103 (K): C 177.809 177.809 178.180 -0.371 RESID 103 (K): CA 59.437 59.437 59.643 -0.206 RESID 103 (K): CB 32.638 32.638 32.431 0.207 RESID 103 (K): H 7.716 7.716 7.516 0.200 RESID 104 (A): N 121.097 121.097 122.026 -0.929 RESID 104 (A): HA 3.994 3.994 4.052 -0.058 RESID 104 (A): C 180.119 180.119 179.652 0.467 RESID 104 (A): CA 54.666 54.666 55.237 -0.571 RESID 104 (A): CB 18.369 18.369 18.467 -0.098 RESID 104 (A): H 7.762 7.762 7.429 0.333 RESID 105 (F): N 116.920 116.920 118.450 -1.530 RESID 105 (F): HA 4.231 4.231 4.142 0.089 RESID 105 (F): C 177.950 177.950 177.583 0.367 RESID 105 (F): CA 59.775 59.775 60.367 -0.592 RESID 105 (F): CB 38.380 38.380 38.351 0.029 RESID 105 (F): H 8.508 8.508 8.632 -0.124 RESID 106 (A): N 121.978 121.978 119.429 2.549 RESID 106 (A): HA 4.180 4.180 4.205 -0.025 RESID 106 (A): CA 54.164 54.164 54.346 -0.182 RESID 106 (A): CB 18.482 18.482 18.505 -0.023 RESID 106 (A): H 7.885 7.885 8.126 -0.241 RESID 107 (E): N 118.006 118.006 119.645 -1.639 RESID 107 (E): HA 4.125 4.125 4.350 -0.225 RESID 107 (E): C 177.933 177.933 178.809 -0.876 RESID 107 (E): CA 57.663 57.663 56.925 0.738 RESID 107 (E): CB 30.205 30.205 29.958 0.247 RESID 107 (E): H 7.991 7.991 7.499 0.492 RESID 108 (G): N 108.097 108.097 107.671 0.426 RESID 108 (G): C 174.327 174.327 175.243 -0.916 RESID 108 (G): CA 45.675 45.675 46.703 -1.028 RESID 108 (G): H 8.106 8.106 8.501 -0.395 RESID 109 (L): N 121.291 121.291 118.209 3.082 RESID 109 (L): HA 4.338 4.338 4.501 -0.163 RESID 109 (L): C 177.737 177.737 175.925 1.812 RESID 109 (L): CA 55.404 55.404 54.023 1.381 RESID 109 (L): CB 42.279 42.279 40.655 1.624 RESID 109 (L): H 7.965 7.965 7.758 0.207 RESID 110 (S): N 115.953 115.953 114.945 1.008 RESID 110 (S): HA 4.350 4.350 4.575 -0.225 RESID 110 (S): C 175.049 175.049 174.257 0.792 RESID 110 (S): CA 58.898 58.898 57.488 1.410 RESID 110 (S): CB 63.724 63.724 65.220 -1.496 RESID 110 (S): H 8.243 8.243 7.568 0.675 RESID 111 (G): N 110.568 110.568 109.609 0.959 RESID 111 (G): C 173.855 173.855 173.817 0.038 RESID 111 (G): CA 45.127 45.127 44.982 0.145 RESID 111 (G): H 8.392 8.392 8.271 0.121 RESID 112 (E): N 121.380 121.380 117.189 4.191 RESID 112 (E): HA 4.538 4.538 4.096 0.442 RESID 112 (E): CA 54.191 54.191 56.403 -2.212 RESID 112 (E): CB 29.390 29.390 27.893 1.496 RESID 112 (E): H 8.060 8.060 8.551 -0.491 RESID 113 (P): HA 4.349 4.349 4.315 0.034 RESID 113 (P): CA 63.375 63.375 63.381 -0.006 RESID 113 (P): CB 32.052 32.052 31.985 0.067 RESID 114 (K): N 121.571 121.571 125.336 -3.765 RESID 114 (K): HA 4.246 4.246 4.658 -0.412 RESID 114 (K): C 177.324 177.324 175.619 1.705 RESID 114 (K): CA 56.277 56.277 55.748 0.529 RESID 114 (K): CB 32.803 32.803 35.615 -2.812 RESID 114 (K): H 8.536 8.536 8.476 0.060 RESID 115 (G): N 110.197 110.197 108.563 1.634 RESID 115 (G): C 174.102 174.102 173.810 0.292 RESID 115 (G): CA 45.232 45.232 44.717 0.515 RESID 115 (G): H 8.490 8.490 8.193 0.297 RESID 116 (A): N 123.966 123.966 122.407 1.559 RESID 116 (A): HA 4.210 4.210 4.230 -0.020 RESID 116 (A): C 178.191 178.191 177.321 0.870 RESID 116 (A): CA 53.081 53.081 53.385 -0.304 RESID 116 (A): CB 19.458 19.458 19.017 0.441 RESID 116 (A): H 8.205 8.205 8.449 -0.244 RESID 117 (A): N 122.628 122.628 120.744 1.884 RESID 117 (A): HA 4.199 4.199 4.459 -0.260 RESID 117 (A): C 178.499 178.499 176.133 2.366 RESID 117 (A): CA 53.146 53.146 51.758 1.388 RESID 117 (A): CB 19.106 19.106 20.449 -1.343 RESID 117 (A): H 8.429 8.429 7.533 0.896 RESID 118 (E): N 119.797 119.797 120.682 -0.885 RESID 118 (E): HA 4.199 4.199 4.738 -0.539 RESID 118 (E): C 177.223 177.223 176.318 0.905 RESID 118 (E): CA 57.387 57.387 57.147 0.240 RESID 118 (E): CB 30.168 30.168 30.915 -0.747 RESID 118 (E): H 8.451 8.451 8.659 -0.208 RESID 119 (S): N 116.850 116.850 113.082 3.768 RESID 119 (S): HA 4.397 4.397 4.634 -0.237 RESID 119 (S): C 175.564 175.564 176.027 -0.463 RESID 119 (S): CA 58.914 58.914 58.678 0.236 RESID 119 (S): CB 63.487 63.487 63.736 -0.249 RESID 119 (S): H 8.432 8.432 7.834 0.598 RESID 120 (S): N 118.812 118.812 117.109 1.703 RESID 120 (S): HA 4.330 4.330 4.280 0.050 RESID 120 (S): C 176.421 176.421 176.430 -0.009 RESID 120 (S): CA 59.906 59.906 60.971 -1.065 RESID 120 (S): CB 63.110 63.110 63.188 -0.078 RESID 120 (S): H 8.559 8.559 8.190 0.369 RESID 121 (S): N 118.669 118.669 117.260 1.409 RESID 121 (S): HA 4.288 4.288 4.235 0.053 RESID 121 (S): C 176.593 176.593 176.304 0.289 RESID 121 (S): CA 60.439 60.439 60.502 -0.063 RESID 121 (S): CB 62.780 62.780 62.880 -0.100 RESID 121 (S): H 8.462 8.462 8.473 -0.011 RESID 122 (K): N 123.978 123.978 123.396 0.582 RESID 122 (K): HA 4.060 4.060 3.961 0.099 RESID 122 (K): CA 59.263 59.263 58.888 0.375 RESID 122 (K): CB 32.296 32.296 32.102 0.194 RESID 122 (K): H 8.212 8.212 7.755 0.457 RESID 123 (A): N 123.450 123.450 120.881 2.569 RESID 123 (A): HA 4.136 4.136 4.106 0.030 RESID 123 (A): CA 54.330 54.330 54.887 -0.557 RESID 123 (A): CB 18.320 18.320 18.189 0.131 RESID 123 (A): H 8.209 8.209 7.409 0.800 RESID 124 (A): N 121.680 121.680 121.634 0.046 RESID 124 (A): HA 4.105 4.105 4.052 0.053 RESID 124 (A): CA 54.550 54.550 54.874 -0.324 RESID 124 (A): CB 18.260 18.260 18.206 0.054 RESID 124 (A): H 8.093 8.093 7.499 0.594 RESID 125 (L): N 120.426 120.426 118.999 1.427 RESID 125 (L): HA 4.072 4.072 4.047 0.025 RESID 125 (L): C 178.680 178.680 178.724 -0.044 RESID 125 (L): CA 57.920 57.920 57.844 0.076 RESID 125 (L): CB 41.254 41.254 41.622 -0.368 RESID 125 (L): H 8.091 8.091 7.862 0.229 RESID 126 (T): N 112.939 112.939 112.083 0.856 RESID 126 (T): HA 4.045 4.045 4.087 -0.042 RESID 126 (T): C 176.662 176.662 177.107 -0.445 RESID 126 (T): CA 68.000 68.000 66.820 1.180 RESID 126 (T): CB 66.703 66.703 68.485 -1.782 RESID 126 (T): H 8.439 8.439 7.862 0.577 RESID 127 (S): N 116.674 116.674 118.368 -1.694 RESID 127 (S): HA 4.230 4.230 4.140 0.090 RESID 127 (S): C 177.500 177.500 176.751 0.749 RESID 127 (S): CA 61.651 61.651 61.992 -0.341 RESID 127 (S): CB 62.770 62.770 63.039 -0.269 RESID 127 (S): H 7.830 7.830 8.429 -0.599 RESID 128 (K): N 122.748 122.748 122.213 0.535 RESID 128 (K): HA 4.178 4.178 4.189 -0.011 RESID 128 (K): C 180.027 180.027 178.952 1.075 RESID 128 (K): CA 59.720 59.720 58.795 0.925 RESID 128 (K): CB 32.811 32.811 32.348 0.463 RESID 128 (K): H 7.837 7.837 7.858 -0.021 RESID 129 (L): N 122.100 122.100 120.462 1.638 RESID 129 (L): HA 3.680 3.680 4.341 -0.661 RESID 129 (L): C 176.494 176.494 179.197 -2.703 RESID 129 (L): CA 57.837 57.837 57.585 0.252 RESID 129 (L): CB 41.142 41.142 41.198 -0.056 RESID 129 (L): H 8.389 8.389 8.208 0.181 RESID 130 (D): N 117.732 117.732 120.834 -3.102 RESID 130 (D): HA 4.104 4.104 4.573 -0.469 RESID 130 (D): C 178.771 178.771 178.402 0.369 RESID 130 (D): CA 57.828 57.828 57.767 0.061 RESID 130 (D): CB 41.591 41.591 41.170 0.421 RESID 130 (D): H 8.237 8.237 8.873 -0.636 RESID 131 (A): N 119.043 119.043 121.779 -2.736 RESID 131 (A): HA 4.031 4.031 4.194 -0.163 RESID 131 (A): C 180.501 180.501 179.725 0.776 RESID 131 (A): CA 55.080 55.080 55.253 -0.173 RESID 131 (A): CB 17.836 17.836 18.377 -0.541 RESID 131 (A): H 7.701 7.701 8.323 -0.622 RESID 132 (A): N 123.553 123.553 121.444 2.109 RESID 132 (A): HA 4.097 4.097 4.148 -0.051 RESID 132 (A): C 179.369 179.369 179.284 0.085 RESID 132 (A): CA 54.773 54.773 54.907 -0.134 RESID 132 (A): CB 18.260 18.260 18.318 -0.058 RESID 132 (A): H 7.862 7.862 8.183 -0.321 RESID 133 (Y): N 119.392 119.392 120.519 -1.127 RESID 133 (Y): HA 4.127 4.127 4.084 0.043 RESID 133 (Y): C 180.484 180.484 177.763 2.721 RESID 133 (Y): CA 57.910 57.910 62.438 -4.528 RESID 133 (Y): CB 35.838 35.838 38.581 -2.744 RESID 133 (Y): H 8.847 8.847 8.181 0.666 RESID 134 (K): N 121.044 121.044 119.867 1.177 RESID 134 (K): HA 4.212 4.212 4.144 0.068 RESID 134 (K): C 178.998 178.998 179.036 -0.038 RESID 134 (K): CA 59.861 59.861 58.601 1.260 RESID 134 (K): CB 32.553 32.553 31.876 0.677 RESID 134 (K): H 8.298 8.298 8.233 0.065 RESID 135 (L): N 122.293 122.293 120.378 1.915 RESID 135 (L): HA 4.201 4.201 4.141 0.060 RESID 135 (L): C 180.381 180.381 178.453 1.928 RESID 135 (L): CA 57.871 57.871 57.588 0.283 RESID 135 (L): CB 41.852 41.852 41.505 0.347 RESID 135 (L): H 8.207 8.207 8.470 -0.263 RESID 136 (A): N 124.897 124.897 121.621 3.276 RESID 136 (A): HA 3.736 3.736 4.068 -0.332 RESID 136 (A): C 178.374 178.374 179.557 -1.183 RESID 136 (A): CA 56.103 56.103 55.089 1.014 RESID 136 (A): CB 17.563 17.563 18.265 -0.702 RESID 136 (A): H 8.614 8.614 8.537 0.077 RESID 137 (Y): N 118.204 118.204 119.801 -1.597 RESID 137 (Y): HA 4.334 4.334 2.998 1.336 RESID 137 (Y): C 177.390 177.390 177.914 -0.524 RESID 137 (Y): CA 62.357 62.357 60.258 2.099 RESID 137 (Y): CB 38.728 38.728 38.084 0.645 RESID 137 (Y): H 8.320 8.320 8.213 0.107 RESID 138 (K): N 119.255 119.255 119.960 -0.705 RESID 138 (K): HA 3.897 3.897 3.723 0.174 RESID 138 (K): C 179.695 179.695 178.621 1.074 RESID 138 (K): CA 59.242 59.242 59.495 -0.253 RESID 138 (K): CB 32.309 32.309 32.258 0.051 RESID 138 (K): H 8.722 8.722 8.266 0.456 RESID 139 (T): N 116.244 116.244 115.469 0.775 RESID 139 (T): HA 4.120 4.120 3.951 0.169 RESID 139 (T): C 176.563 176.563 175.622 0.941 RESID 139 (T): CA 68.750 68.750 65.218 3.533 RESID 139 (T): CB 66.863 66.863 68.635 -1.772 RESID 139 (T): H 8.368 8.368 7.939 0.429 RESID 140 (A): N 124.310 124.310 123.236 1.074 RESID 140 (A): HA 3.884 3.884 3.983 -0.099 RESID 140 (A): C 179.123 179.123 178.182 0.941 RESID 140 (A): CA 54.887 54.887 54.511 0.376 RESID 140 (A): CB 19.489 19.489 17.949 1.540 RESID 140 (A): H 8.207 8.207 7.298 0.909 RESID 141 (E): N 117.572 117.572 117.331 0.241 RESID 141 (E): HA 3.696 3.696 3.937 -0.240 RESID 141 (E): C 177.623 177.623 178.055 -0.432 RESID 141 (E): CA 58.472 58.472 58.076 0.396 RESID 141 (E): CB 29.633 29.633 29.660 -0.028 RESID 141 (E): H 8.324 8.324 7.351 0.974 RESID 142 (G): N 103.520 103.520 106.290 -2.770 RESID 142 (G): C 173.480 173.480 174.634 -1.154 RESID 142 (G): CA 44.841 44.841 45.363 -0.522 RESID 142 (G): H 7.333 7.333 7.319 0.014 RESID 143 (A): N 124.154 124.154 122.884 1.270 RESID 143 (A): HA 4.475 4.475 4.332 0.143 RESID 143 (A): C 177.290 177.290 176.655 0.635 RESID 143 (A): CA 50.615 50.615 51.786 -1.171 RESID 143 (A): CB 19.859 19.859 19.432 0.427 RESID 143 (A): H 7.339 7.339 7.524 -0.185 RESID 144 (T): N 112.353 112.353 117.288 -4.935 RESID 144 (T): HA 4.431 4.431 4.302 0.129 RESID 144 (T): C 174.105 174.105 173.699 0.406 RESID 144 (T): CA 60.634 60.634 60.400 0.234 RESID 144 (T): CB 67.394 67.394 69.122 -1.728 RESID 144 (T): H 8.116 8.116 8.208 -0.092 RESID 145 (P): HA 3.914 3.914 4.180 -0.266 RESID 145 (P): C 179.300 179.300 177.157 2.143 RESID 145 (P): CA 66.875 66.875 63.923 2.952 RESID 145 (P): CB 32.327 32.327 32.035 0.292 RESID 146 (E): N 116.397 116.397 115.929 0.468 RESID 146 (E): HA 4.178 4.178 3.895 0.283 RESID 146 (E): C 176.426 176.426 176.333 0.093 RESID 146 (E): CA 58.746 58.746 58.928 -0.182 RESID 146 (E): CB 28.347 28.347 28.056 0.291 RESID 146 (E): H 9.340 9.340 8.977 0.363 RESID 147 (A): N 123.484 123.484 120.831 2.653 RESID 147 (A): HA 4.678 4.678 4.544 0.134 RESID 147 (A): C 177.808 177.808 178.367 -0.559 RESID 147 (A): CA 52.028 52.028 52.986 -0.958 RESID 147 (A): CB 20.943 20.943 19.737 1.206 RESID 147 (A): H 7.984 7.984 8.156 -0.172 RESID 148 (K): N 120.663 120.663 120.298 0.365 RESID 148 (K): HA 3.465 3.465 3.997 -0.532 RESID 148 (K): C 177.165 177.165 177.873 -0.708 RESID 148 (K): CA 61.675 61.675 59.497 2.178 RESID 148 (K): CB 33.075 33.075 31.803 1.272 RESID 148 (K): H 7.285 7.285 7.715 -0.430 RESID 149 (Y): N 118.061 118.061 119.349 -1.288 RESID 149 (Y): HA 4.059 4.059 4.338 -0.279 RESID 149 (Y): C 175.368 175.368 177.542 -2.174 RESID 149 (Y): CA 62.206 62.206 61.426 0.780 RESID 149 (Y): CB 37.386 37.386 37.902 -0.516 RESID 149 (Y): H 8.793 8.793 8.071 0.722 RESID 150 (D): N 118.180 118.180 119.443 -1.263 RESID 150 (D): HA 3.820 3.820 4.284 -0.464 RESID 150 (D): C 178.927 178.927 178.209 0.718 RESID 150 (D): CA 57.373 57.373 57.065 0.308 RESID 150 (D): CB 40.511 40.511 40.414 0.097 RESID 150 (D): H 8.442 8.442 8.465 -0.023 RESID 152 (Y): HA 3.803 3.803 4.105 -0.302 RESID 152 (Y): C 176.950 176.950 177.464 -0.514 RESID 152 (Y): CA 62.480 62.480 60.015 2.465 RESID 152 (Y): CB 39.180 39.180 38.045 1.135 RESID 153 (V): N 116.500 116.500 118.999 -2.499 RESID 153 (V): HA 2.980 2.980 3.107 -0.127 RESID 153 (V): C 178.920 178.920 177.883 1.037 RESID 153 (V): CA 66.800 66.800 65.752 1.048 RESID 153 (V): CB 31.730 31.730 30.939 0.791 RESID 153 (V): H 8.126 8.126 8.090 0.036 RESID 154 (A): N 122.151 122.151 121.593 0.558 RESID 154 (A): HA 3.981 3.981 4.017 -0.036 RESID 154 (A): C 176.909 176.909 179.420 -2.511 RESID 154 (A): CA 55.037 55.037 55.255 -0.218 RESID 154 (A): CB 18.243 18.243 18.048 0.195 RESID 154 (A): H 8.363 8.363 8.495 -0.132 RESID 155 (T): N 114.478 114.478 116.203 -1.725 RESID 155 (T): HA 3.807 3.807 3.979 -0.172 RESID 155 (T): C 176.582 176.582 176.277 0.305 RESID 155 (T): CA 66.731 66.731 66.912 -0.181 RESID 155 (T): CB 68.550 68.550 68.613 -0.063 RESID 155 (T): H 7.590 7.590 7.953 -0.363 RESID 156 (L): N 122.590 122.590 123.169 -0.579 RESID 156 (L): HA 3.873 3.873 3.945 -0.072 RESID 156 (L): CA 57.829 57.829 58.453 -0.624 RESID 156 (L): CB 42.149 42.149 41.375 0.774 RESID 156 (L): H 8.449 8.449 7.586 0.863 RESID 157 (S): N 112.486 112.486 115.525 -3.039 RESID 157 (S): HA 3.873 3.873 4.002 -0.129 RESID 157 (S): C 177.485 177.485 176.480 1.005 RESID 157 (S): CA 62.556 62.556 63.096 -0.540 RESID 157 (S): CB 61.390 61.390 62.727 -1.337 RESID 157 (S): H 8.705 8.705 7.857 0.848 RESID 158 (E): N 121.019 121.019 121.713 -0.694 RESID 158 (E): HA 4.124 4.124 4.049 0.075 RESID 158 (E): C 177.558 177.558 178.372 -0.814 RESID 158 (E): CA 58.615 58.615 59.110 -0.495 RESID 158 (E): CB 29.232 29.232 29.297 -0.065 RESID 158 (E): H 7.408 7.408 7.695 -0.287 RESID 159 (A): N 120.731 120.731 122.180 -1.449 RESID 159 (A): HA 4.121 4.121 4.155 -0.034 RESID 159 (A): C 181.006 181.006 180.113 0.893 RESID 159 (A): CA 55.181 55.181 55.075 0.106 RESID 159 (A): CB 18.546 18.546 18.509 0.037 RESID 159 (A): H 7.803 7.803 7.615 0.188 RESID 160 (L): N 116.637 116.637 119.589 -2.952 RESID 160 (L): HA 3.901 3.901 4.154 -0.253 RESID 160 (L): C 179.216 179.216 178.658 0.558 RESID 160 (L): CA 57.843 57.843 57.507 0.336 RESID 160 (L): CB 41.050 41.050 41.873 -0.823 RESID 160 (L): H 8.670 8.670 8.786 -0.116 RESID 161 (R): N 121.986 121.986 119.438 2.548 RESID 161 (R): HA 3.908 3.908 4.072 -0.164 RESID 161 (R): C 179.790 179.790 179.030 0.760 RESID 161 (R): CA 59.657 59.657 59.290 0.367 RESID 161 (R): CB 29.935 29.935 30.316 -0.381 RESID 161 (R): H 7.914 7.914 8.517 -0.603 RESID 162 (I): N 120.810 120.810 120.327 0.483 RESID 162 (I): HA 3.683 3.683 3.820 -0.137 RESID 162 (I): C 179.685 179.685 176.897 2.788 RESID 162 (I): CA 64.321 64.321 63.706 0.615 RESID 162 (I): CB 37.832 37.832 38.228 -0.396 RESID 162 (I): H 7.895 7.895 8.331 -0.436 RESID 163 (I): HA 3.560 3.560 3.668 -0.108 RESID 163 (I): CA 65.367 65.367 64.951 0.416 RESID 163 (I): CB 38.510 38.510 37.721 0.789 RESID 164 (A): N 121.450 121.450 119.953 1.497 RESID 164 (A): HA 3.938 3.938 4.173 -0.235 RESID 164 (A): C 179.920 179.920 179.156 0.764 RESID 164 (A): CA 55.090 55.090 54.381 0.709 RESID 164 (A): CB 18.170 18.170 18.308 -0.138 RESID 164 (A): H 8.525 8.525 7.697 0.828 RESID 165 (G): N 104.876 104.876 106.740 -1.864 RESID 165 (G): C 175.831 175.831 175.780 0.051 RESID 165 (G): CA 46.602 46.602 46.156 0.446 RESID 165 (G): H 7.921 7.921 7.689 0.232 RESID 166 (T): N 111.734 111.734 116.922 -5.188 RESID 166 (T): HA 4.306 4.306 4.116 0.190 RESID 166 (T): C 175.095 175.095 175.782 -0.687 RESID 166 (T): CA 63.000 63.000 65.923 -2.923 RESID 166 (T): CB 69.795 69.795 69.198 0.597 RESID 166 (T): H 7.786 7.786 8.033 -0.247 RESID 167 (L): N 121.291 121.291 119.768 1.523 RESID 167 (L): HA 4.262 4.262 4.116 0.146 RESID 167 (L): C 177.004 177.004 177.460 -0.456 RESID 167 (L): CA 55.040 55.040 56.683 -1.643 RESID 167 (L): CB 42.292 42.292 42.229 0.063 RESID 167 (L): H 7.456 7.456 7.604 -0.148 RESID 168 (E): N 119.686 119.686 117.570 2.116 RESID 168 (E): HA 4.151 4.151 4.421 -0.270 RESID 168 (E): C 176.001 176.001 177.105 -1.104 RESID 168 (E): CA 56.210 56.210 55.059 1.151 RESID 168 (E): CB 30.242 30.242 31.069 -0.827 RESID 168 (E): H 7.840 7.840 7.621 0.219 RESID 169 (V): N 120.922 120.922 118.617 2.305 RESID 169 (V): HA 3.979 3.979 3.895 0.084 RESID 169 (V): C 175.876 175.876 175.696 0.180 RESID 169 (V): CA 56.270 56.270 64.384 -8.114 RESID 169 (V): H 8.060 8.060 8.537 -0.477 RESID 170 (H): N 122.829 122.829 113.045 9.784 RESID 170 (H): HA 4.626 4.626 4.682 -0.056 RESID 170 (H): C 174.023 174.023 173.068 0.955 RESID 170 (H): CA 55.025 55.025 55.493 -0.468 RESID 170 (H): CB 29.661 29.661 31.507 -1.846 RESID 170 (H): H 8.560 8.560 7.304 1.256 RESID 171 (A): N 125.857 125.857 124.421 1.436 RESID 171 (A): HA 4.206 4.206 4.223 -0.017 RESID 171 (A): C 177.398 177.398 176.382 1.016 RESID 171 (A): CA 52.300 52.300 52.165 0.135 RESID 171 (A): CB 18.300 18.300 19.388 -1.088 RESID 171 (A): H 8.393 8.393 8.474 -0.081 RESID 172 (V): N 120.329 120.329 119.541 0.788 RESID 172 (V): HA 4.011 4.011 3.997 0.014 RESID 172 (V): C 175.833 175.833 175.479 0.354 RESID 172 (V): CA 61.923 61.923 63.124 -1.201 RESID 172 (V): CB 32.550 32.550 31.744 0.806 RESID 172 (V): H 8.238 8.238 7.822 0.416 RESID 173 (K): N 127.029 127.029 128.410 -1.381 RESID 173 (K): C 174.205 174.205 174.519 -0.314 RESID 173 (K): CA 54.059 54.059 54.748 -0.689 RESID 173 (K): CB 32.437 32.437 33.148 -0.711 RESID 173 (K): H 8.442 8.442 8.351 0.091 RESID 174 (P): HA 4.322 4.322 4.272 0.050 RESID 174 (P): CA 63.140 63.140 63.824 -0.684 RESID 174 (P): CB 32.320 32.320 31.825 0.495 RESID 175 (A): N 125.330 125.330 121.349 3.981 RESID 175 (A): HA 4.189 4.189 4.300 -0.111 RESID 175 (A): C 178.296 178.296 176.953 1.343 RESID 175 (A): CA 53.043 53.043 51.302 1.741 RESID 175 (A): CB 19.376 19.376 17.539 1.837 RESID 175 (A): H 8.430 8.430 8.174 0.256 RESID 176 (A): N 123.143 123.143 126.607 -3.464 RESID 176 (A): HA 4.204 4.204 4.119 0.085 RESID 176 (A): C 177.718 177.718 178.949 -1.231 RESID 176 (A): CA 52.432 52.432 52.162 0.270 RESID 176 (A): CB 19.500 19.500 19.689 -0.189 RESID 176 (A): H 8.326 8.326 8.146 0.180 RESID 177 (E): N 119.752 119.752 118.553 1.199 RESID 177 (E): HA 4.142 4.142 4.043 0.099 RESID 177 (E): C 176.350 176.350 177.832 -1.482 RESID 177 (E): CA 56.302 56.302 58.584 -2.282 RESID 177 (E): CB 30.333 30.333 29.712 0.621 RESID 177 (E): H 8.354 8.354 8.683 -0.329 RESID 178 (E): N 122.557 122.557 119.106 3.451 RESID 178 (E): HA 4.193 4.193 4.384 -0.191 RESID 178 (E): C 176.260 176.260 176.248 0.012 RESID 178 (E): CA 56.307 56.307 55.575 0.732 RESID 178 (E): CB 30.542 30.542 27.390 3.152 RESID 178 (E): H 8.395 8.395 8.793 -0.398 RESID 179 (V): N 122.787 122.787 119.371 3.416 RESID 179 (V): HA 3.983 3.983 3.910 0.073 RESID 179 (V): C 175.871 175.871 176.183 -0.312 RESID 179 (V): CA 62.225 62.225 64.166 -1.941 RESID 179 (V): CB 32.459 32.459 32.434 0.025 RESID 179 (V): H 8.232 8.232 7.785 0.447 RESID 180 (K): N 126.356 126.356 118.832 7.524 RESID 180 (K): HA 4.315 4.315 4.476 -0.162 RESID 180 (K): C 176.090 176.090 174.317 1.773 RESID 180 (K): CA 55.880 55.880 56.305 -0.425 RESID 180 (K): CB 33.000 33.000 33.978 -0.978 RESID 180 (K): H 8.427 8.427 7.942 0.485 RESID 181 (V): N 122.752 122.752 123.477 -0.725 RESID 181 (V): HA 4.043 4.043 4.331 -0.288 RESID 181 (V): C 175.754 175.754 174.233 1.521 RESID 181 (V): CA 61.803 61.803 62.272 -0.469 RESID 181 (V): CB 33.155 33.155 33.464 -0.309 RESID 181 (V): H 8.244 8.244 8.293 -0.049 RESID 182 (I): N 127.826 127.826 123.442 4.384 RESID 182 (I): C 174.257 174.257 173.680 0.577 RESID 182 (I): CA 58.244 58.244 58.393 -0.149 RESID 182 (I): CB 38.555 38.555 37.737 0.818 RESID 182 (I): H 8.388 8.388 8.202 0.186 RESID 183 (P): HA 4.330 4.330 4.545 -0.215 RESID 183 (P): C 176.700 176.700 177.281 -0.581 RESID 183 (P): CA 63.230 63.230 62.712 0.518 RESID 183 (P): CB 32.380 32.380 32.109 0.271 RESID 184 (A): N 124.690 124.690 123.639 1.051 RESID 184 (A): HA 4.193 4.193 4.085 0.108 RESID 184 (A): C 178.758 178.758 177.383 1.375 RESID 184 (A): CA 53.320 53.320 53.114 0.206 RESID 184 (A): CB 19.340 19.340 19.263 0.077 RESID 184 (A): H 8.485 8.485 8.301 0.184 RESID 185 (G): N 107.324 107.324 107.671 -0.347 RESID 185 (G): C 174.758 174.758 174.274 0.484 RESID 185 (G): CA 45.717 45.717 44.547 1.170 RESID 185 (G): H 8.527 8.527 8.059 0.468 RESID 186 (E): N 120.410 120.410 121.183 -0.773 RESID 186 (E): HA 4.170 4.170 3.974 0.196 RESID 186 (E): C 177.470 177.470 177.638 -0.168 RESID 186 (E): CA 57.890 57.890 58.371 -0.481 RESID 186 (E): CB 30.180 30.180 29.108 1.072 RESID 186 (E): H 8.262 8.262 8.707 -0.445 RESID 187 (L): N 121.652 121.652 119.082 2.570 RESID 187 (L): HA 4.140 4.140 4.232 -0.092 RESID 187 (L): C 178.002 178.002 178.914 -0.912 RESID 187 (L): CA 56.458 56.458 57.257 -0.799 RESID 187 (L): CB 42.056 42.056 41.060 0.996 RESID 187 (L): H 8.247 8.247 8.160 0.087 RESID 188 (Q): N 119.063 119.063 118.279 0.784 RESID 188 (Q): HA 4.205 4.205 4.106 0.099 RESID 188 (Q): C 177.544 177.544 178.246 -0.702 RESID 188 (Q): CA 57.584 57.584 58.409 -0.825 RESID 188 (Q): CB 28.421 28.421 27.795 0.626 RESID 188 (Q): H 8.377 8.377 8.734 -0.357 RESID 189 (V): N 118.808 118.808 121.104 -2.296 RESID 189 (V): HA 3.680 3.680 3.707 -0.027 RESID 189 (V): C 177.439 177.439 177.788 -0.349 RESID 189 (V): CA 65.376 65.376 65.558 -0.182 RESID 189 (V): CB 31.970 31.970 31.760 0.210 RESID 189 (V): H 7.872 7.872 7.434 0.438 RESID 190 (I): N 120.522 120.522 119.792 0.730 RESID 190 (I): HA 3.694 3.694 3.749 -0.055 RESID 190 (I): C 177.364 177.364 176.783 0.581 RESID 190 (I): CA 63.323 63.323 63.970 -0.647 RESID 190 (I): CB 36.643 36.643 37.935 -1.292 RESID 190 (I): H 8.119 8.119 7.619 0.500 RESID 191 (E): N 120.185 120.185 120.238 -0.053 RESID 191 (E): HA 4.141 4.141 4.000 0.141 RESID 191 (E): C 179.310 179.310 178.354 0.956 RESID 191 (E): CA 59.756 59.756 59.211 0.545 RESID 191 (E): CB 29.276 29.276 28.442 0.834 RESID 191 (E): H 8.175 8.175 7.721 0.454 RESID 192 (K): N 118.771 118.771 119.994 -1.223 RESID 192 (K): HA 4.211 4.211 4.072 0.139 RESID 192 (K): C 178.933 178.933 178.812 0.121 RESID 192 (K): CA 58.020 58.020 59.075 -1.055 RESID 192 (K): CB 31.710 31.710 32.431 -0.721 RESID 192 (K): H 7.720 7.720 7.723 -0.003 RESID 193 (V): N 121.979 121.979 119.282 2.697 RESID 193 (V): HA 3.537 3.537 3.662 -0.125 RESID 193 (V): C 176.912 176.912 178.288 -1.376 RESID 193 (V): CA 66.974 66.974 66.787 0.188 RESID 193 (V): CB 31.451 31.451 31.552 -0.101 RESID 193 (V): H 8.336 8.336 7.498 0.838 RESID 194 (D): N 121.596 121.596 119.712 1.884 RESID 194 (D): HA 4.396 4.396 4.440 -0.044 RESID 194 (D): C 178.097 178.097 177.354 0.743 RESID 194 (D): CA 57.899 57.899 57.202 0.697 RESID 194 (D): CB 41.740 41.740 40.852 0.888 RESID 194 (D): H 8.588 8.588 7.886 0.702 RESID 195 (A): N 119.998 119.998 121.548 -1.550 RESID 195 (A): HA 4.101 4.101 4.214 -0.113 RESID 195 (A): C 180.638 180.638 179.811 0.827 RESID 195 (A): CA 55.393 55.393 54.589 0.804 RESID 195 (A): CB 17.915 17.915 18.919 -1.004 RESID 195 (A): H 7.834 7.834 7.482 0.352 RESID 196 (A): N 121.520 121.520 121.175 0.345 RESID 196 (A): HA 4.043 4.043 4.082 -0.039 RESID 196 (A): C 178.986 178.986 179.474 -0.488 RESID 196 (A): CA 54.730 54.730 54.576 0.154 RESID 196 (A): CB 19.220 19.220 18.017 1.203 RESID 196 (A): H 8.198 8.198 8.135 0.063 RESID 197 (F): N 120.035 120.035 118.847 1.188 RESID 197 (F): HA 3.861 3.861 4.273 -0.412 RESID 197 (F): C 176.055 176.055 177.271 -1.216 RESID 197 (F): CA 61.833 61.833 61.774 0.059 RESID 197 (F): CB 39.090 39.090 39.349 -0.259 RESID 197 (F): H 9.092 9.092 7.746 1.346 RESID 198 (K): N 118.265 118.265 119.306 -1.041 RESID 198 (K): HA 3.815 3.815 4.008 -0.193 RESID 198 (K): C 180.112 180.112 178.490 1.622 RESID 198 (K): CA 59.826 59.826 60.444 -0.618 RESID 198 (K): CB 32.347 32.347 32.399 -0.052 RESID 198 (K): H 7.863 7.863 8.314 -0.451 RESID 199 (V): N 119.799 119.799 117.696 2.103 RESID 199 (V): HA 3.623 3.623 3.744 -0.121 RESID 199 (V): C 178.666 178.666 177.478 1.188 RESID 199 (V): CA 66.074 66.074 65.853 0.221 RESID 199 (V): CB 31.831 31.831 31.180 0.651 RESID 199 (V): H 7.580 7.580 8.142 -0.562 RESID 200 (A): N 125.339 125.339 121.946 3.393 RESID 200 (A): HA 3.635 3.635 4.131 -0.496 RESID 200 (A): C 178.388 178.388 178.954 -0.566 RESID 200 (A): CA 54.843 54.843 54.412 0.431 RESID 200 (A): CB 18.830 18.830 18.247 0.583 RESID 200 (A): H 8.166 8.166 7.412 0.754 RESID 201 (A): N 120.805 120.805 121.677 -0.872 RESID 201 (A): HA 4.000 4.000 4.092 -0.092 RESID 201 (A): C 180.740 180.740 179.663 1.077 RESID 201 (A): CA 54.550 54.550 55.142 -0.591 RESID 201 (A): CB 18.124 18.124 18.503 -0.379 RESID 201 (A): H 7.386 7.386 8.355 -0.969 RESID 202 (T): N 114.816 114.816 113.567 1.249 RESID 202 (T): HA 4.200 4.200 4.060 0.140 RESID 202 (T): C 175.840 175.840 175.991 -0.151 RESID 202 (T): CA 60.920 60.920 66.026 -5.106 RESID 202 (T): CB 62.070 62.070 68.900 -6.830 RESID 202 (T): H 8.322 8.322 8.491 -0.169 RESID 203 (A): N 124.550 124.550 122.593 1.957 RESID 203 (A): HA 3.989 3.989 4.130 -0.141 RESID 203 (A): C 180.575 180.575 178.253 2.322 RESID 203 (A): CA 55.042 55.042 54.357 0.685 RESID 203 (A): CB 17.675 17.675 18.350 -0.675 RESID 203 (A): H 7.592 7.592 7.684 -0.092 RESID 204 (A): N 121.361 121.361 119.163 2.198 RESID 204 (A): HA 4.187 4.187 4.058 0.129 RESID 204 (A): C 179.867 179.867 179.205 0.662 RESID 204 (A): CA 55.224 55.224 53.799 1.425 RESID 204 (A): CB 18.791 18.791 19.205 -0.414 RESID 204 (A): H 8.758 8.758 7.582 1.176 RESID 205 (N): N 115.185 115.185 119.285 -4.100 RESID 205 (N): HA 4.189 4.189 4.262 -0.073 RESID 205 (N): C 175.555 175.555 177.291 -1.736 RESID 205 (N): CA 56.410 56.410 55.522 0.888 RESID 205 (N): CB 39.066 39.066 38.099 0.967 RESID 205 (N): H 8.220 8.220 7.810 0.410 RESID 206 (A): N 117.946 117.946 121.359 -3.413 RESID 206 (A): HA 4.270 4.270 4.129 0.141 RESID 206 (A): C 176.827 176.827 177.301 -0.474 RESID 206 (A): CA 56.138 56.138 52.321 3.817 RESID 206 (A): CB 18.200 18.200 18.122 0.078 RESID 206 (A): H 6.965 6.965 7.780 -0.815 RESID 207 (A): N 122.916 122.916 123.019 -0.103 RESID 207 (A): HA 4.600 4.600 4.251 0.349 RESID 207 (A): C 174.478 174.478 177.249 -2.771 RESID 207 (A): CA 50.196 50.196 50.510 -0.314 RESID 207 (A): CB 18.287 18.287 18.424 -0.137 RESID 207 (A): H 7.240 7.240 7.263 -0.023 RESID 208 (P): HA 4.373 4.373 4.221 0.152 RESID 208 (P): C 177.440 177.440 176.388 1.052 RESID 208 (P): CA 62.600 62.600 64.681 -2.081 RESID 208 (P): CB 32.243 32.243 31.812 0.431 RESID 209 (A): N 122.883 122.883 118.982 3.901 RESID 209 (A): HA 3.726 3.726 4.172 -0.446 RESID 209 (A): C 179.474 179.474 176.263 3.211 RESID 209 (A): CA 56.155 56.155 52.107 4.048 RESID 209 (A): CB 19.099 19.099 18.968 0.131 RESID 209 (A): H 8.620 8.620 7.540 1.080 RESID 210 (N): N 113.093 113.093 118.912 -5.819 RESID 210 (N): HA 4.519 4.519 4.743 -0.224 RESID 210 (N): C 176.000 176.000 175.760 0.240 RESID 210 (N): CA 55.226 55.226 52.901 2.325 RESID 210 (N): CB 38.057 38.057 39.390 -1.333 RESID 210 (N): H 8.933 8.933 8.414 0.519 RESID 211 (D): N 117.648 117.648 113.132 4.516 RESID 211 (D): HA 5.050 5.050 4.340 0.710 RESID 211 (D): C 175.953 175.953 176.966 -1.013 RESID 211 (D): CA 54.110 54.110 56.688 -2.578 RESID 211 (D): CB 42.936 42.936 39.018 3.918 RESID 211 (D): H 8.111 8.111 8.719 -0.608 RESID 212 (K): N 118.713 118.713 118.461 0.252 RESID 212 (K): HA 3.324 3.324 3.826 -0.502 RESID 212 (K): C 177.524 177.524 178.349 -0.825 RESID 212 (K): CA 61.984 61.984 59.165 2.819 RESID 212 (K): CB 32.789 32.789 32.076 0.713 RESID 212 (K): H 7.145 7.145 8.207 -1.062 RESID 213 (F): N 113.700 113.700 116.206 -2.506 RESID 213 (F): HA 4.087 4.087 4.250 -0.163 RESID 213 (F): C 178.141 178.141 177.562 0.579 RESID 213 (F): CA 62.473 62.473 62.362 0.111 RESID 213 (F): CB 38.303 38.303 37.454 0.849 RESID 213 (F): H 8.026 8.026 8.460 -0.434 RESID 214 (T): N 115.378 115.378 116.723 -1.345 RESID 214 (T): C 178.124 178.124 176.580 1.544 RESID 214 (T): CA 65.503 65.503 67.424 -1.921 RESID 214 (T): CB 68.803 68.803 68.408 0.395 RESID 214 (T): H 7.917 7.917 8.242 -0.325 RESID 215 (V): N 122.692 122.692 120.997 1.695 RESID 215 (V): HA 3.659 3.659 3.603 0.056 RESID 215 (V): C 177.771 177.771 177.254 0.517 RESID 215 (V): CA 66.361 66.361 66.482 -0.121 RESID 215 (V): CB 31.360 31.360 31.523 -0.163 RESID 215 (V): H 8.430 8.430 8.238 0.192 RESID 216 (F): N 119.847 119.847 120.768 -0.921 RESID 216 (F): HA 3.799 3.799 4.010 -0.211 RESID 216 (F): C 176.989 176.989 177.309 -0.320 RESID 216 (F): CA 62.705 62.705 61.832 0.873 RESID 216 (F): CB 39.327 39.327 39.089 0.238 RESID 216 (F): H 8.651 8.651 7.583 1.068 RESID 217 (E): N 117.144 117.144 117.893 -0.749 RESID 217 (E): HA 3.863 3.863 4.002 -0.139 RESID 217 (E): C 177.894 177.894 179.155 -1.261 RESID 217 (E): CA 61.877 61.877 59.192 2.685 RESID 217 (E): CB 30.062 30.062 28.920 1.142 RESID 217 (E): H 8.650 8.650 9.033 -0.383 RESID 218 (A): N 119.130 119.130 122.463 -3.333 RESID 218 (A): HA 4.213 4.213 4.246 -0.033 RESID 218 (A): C 180.238 180.238 179.398 0.840 RESID 218 (A): CA 55.118 55.118 54.812 0.306 RESID 218 (A): CB 18.020 18.020 18.384 -0.364 RESID 218 (A): H 7.759 7.759 7.839 -0.080 RESID 219 (A): N 119.419 119.419 121.692 -2.273 RESID 219 (A): HA 4.146 4.146 4.065 0.081 RESID 219 (A): C 180.499 180.499 179.586 0.913 RESID 219 (A): CA 54.530 54.530 54.656 -0.126 RESID 219 (A): CB 18.890 18.890 18.431 0.459 RESID 219 (A): H 8.475 8.475 8.456 0.019 RESID 220 (F): N 120.754 120.754 118.791 1.963 RESID 220 (F): HA 4.196 4.196 3.835 0.361 RESID 220 (F): C 177.427 177.427 177.110 0.317 RESID 220 (F): CA 58.832 58.832 61.828 -2.996 RESID 220 (F): CB 39.740 39.740 38.332 1.408 RESID 220 (F): H 9.026 9.026 8.627 0.399 RESID 221 (N): N 116.941 116.941 116.501 0.440 RESID 221 (N): HA 4.390 4.390 4.418 -0.028 RESID 221 (N): CA 56.230 56.230 55.655 0.575 RESID 221 (N): CB 37.995 37.995 38.447 -0.452 RESID 221 (N): H 8.485 8.485 7.686 0.799 RESID 222 (D): N 119.493 119.493 120.520 -1.027 RESID 222 (D): HA 4.366 4.366 4.473 -0.107 RESID 222 (D): C 178.832 178.832 177.873 0.959 RESID 222 (D): CA 57.697 57.697 56.943 0.754 RESID 222 (D): CB 40.537 40.537 40.701 -0.164 RESID 222 (D): H 8.283 8.283 8.470 -0.187 RESID 223 (A): N 122.201 122.201 122.379 -0.178 RESID 223 (A): HA 4.138 4.138 3.956 0.182 RESID 223 (A): CA 54.892 54.892 55.098 -0.206 RESID 223 (A): CB 18.251 18.251 18.115 0.136 RESID 223 (A): H 8.175 8.175 8.155 0.020 RESID 224 (I): N 122.960 122.960 118.036 4.924 RESID 224 (I): HA 3.396 3.396 3.448 -0.052 RESID 224 (I): C 178.030 178.030 177.953 0.077 RESID 224 (I): CA 65.320 65.320 64.809 0.511 RESID 224 (I): CB 38.150 38.150 37.514 0.637 RESID 224 (I): H 8.525 8.525 7.223 1.302 RESID 225 (K): N 124.150 124.150 120.600 3.550 RESID 225 (K): HA 4.130 4.130 3.981 0.149 RESID 225 (K): C 179.190 179.190 178.889 0.301 RESID 225 (K): CA 58.594 58.594 59.435 -0.841 RESID 225 (K): CB 32.489 32.489 32.532 -0.043 RESID 225 (K): H 8.457 8.457 7.320 1.137 RESID 226 (A): N 119.804 119.804 121.103 -1.299 RESID 226 (A): HA 4.128 4.128 4.041 0.087 RESID 226 (A): C 181.843 181.843 180.048 1.795 RESID 226 (A): CA 55.012 55.012 55.296 -0.284 RESID 226 (A): CB 18.473 18.473 18.311 0.162 RESID 226 (A): H 8.191 8.191 8.765 -0.574 RESID 227 (S): N 113.402 113.402 113.866 -0.464 RESID 227 (S): HA 4.350 4.350 4.193 0.157 RESID 227 (S): C 176.071 176.071 176.776 -0.705 RESID 227 (S): CA 61.259 61.259 60.875 0.384 RESID 227 (S): CB 63.414 63.414 62.932 0.482 RESID 227 (S): H 8.568 8.568 8.066 0.502 RESID 228 (T): N 109.170 109.170 112.524 -3.354 RESID 228 (T): HA 4.605 4.605 4.204 0.401 RESID 228 (T): CA 61.453 61.453 63.562 -2.109 RESID 228 (T): CB 69.732 69.732 69.185 0.547 RESID 228 (T): H 7.804 7.804 7.494 0.310 RESID 229 (G): N 113.451 113.451 110.444 3.007 RESID 229 (G): C 178.132 178.132 175.495 2.637 RESID 229 (G): CA 47.149 47.149 44.808 2.341 RESID 229 (G): H 7.988 7.988 7.567 0.421 RESID 230 (G): N 105.298 105.298 107.949 -2.651 RESID 230 (G): C 173.856 173.856 174.053 -0.197 RESID 230 (G): CA 44.492 44.492 45.348 -0.856 RESID 230 (G): H 8.792 8.792 8.754 0.038 RESID 231 (A): N 122.893 122.893 123.668 -0.775 RESID 231 (A): HA 3.777 3.777 4.031 -0.254 RESID 231 (A): C 177.041 177.041 176.878 0.163 RESID 231 (A): CA 54.513 54.513 52.472 2.041 RESID 231 (A): CB 18.998 18.998 19.151 -0.153 RESID 231 (A): H 7.467 7.467 7.399 0.068 RESID 232 (Y): N 112.629 112.629 114.399 -1.770 RESID 232 (Y): HA 4.396 4.396 4.136 0.260 RESID 232 (Y): C 174.659 174.659 175.588 -0.929 RESID 232 (Y): CA 55.932 55.932 59.385 -3.453 RESID 232 (Y): CB 39.848 39.848 35.976 3.872 RESID 232 (Y): H 7.332 7.332 8.313 -0.981 RESID 233 (E): N 117.684 117.684 117.050 0.634 RESID 233 (E): HA 3.790 3.790 4.193 -0.403 RESID 233 (E): C 174.348 174.348 175.737 -1.389 RESID 233 (E): CA 57.064 57.064 57.413 -0.349 RESID 233 (E): CB 30.734 30.734 29.795 0.939 RESID 233 (E): H 7.995 7.995 8.595 -0.600 RESID 234 (S): N 107.099 107.099 113.906 -6.807 RESID 234 (S): HA 4.495 4.495 4.646 -0.151 RESID 234 (S): C 175.141 175.141 173.599 1.542 RESID 234 (S): CA 55.872 55.872 57.309 -1.437 RESID 234 (S): CB 64.988 64.988 65.469 -0.480 RESID 234 (S): H 7.318 7.318 7.553 -0.235 RESID 235 (Y): N 119.162 119.162 122.052 -2.890 RESID 235 (Y): HA 4.093 4.093 4.681 -0.588 RESID 235 (Y): C 175.305 175.305 174.640 0.665 RESID 235 (Y): CA 59.694 59.694 58.043 1.651 RESID 235 (Y): CB 37.650 37.650 36.743 0.907 RESID 235 (Y): H 8.629 8.629 9.189 -0.560 RESID 236 (K): N 118.163 118.163 123.968 -5.805 RESID 236 (K): HA 3.573 3.573 4.475 -0.902 RESID 236 (K): C 176.427 176.427 174.841 1.586 RESID 236 (K): CA 58.000 58.000 56.808 1.192 RESID 236 (K): CB 31.520 31.520 33.364 -1.844 RESID 236 (K): H 7.384 7.384 8.598 -1.214 RESID 237 (F): N 115.377 115.377 115.890 -0.513 RESID 237 (F): HA 4.433 4.433 4.650 -0.217 RESID 237 (F): C 174.114 174.114 174.577 -0.463 RESID 237 (F): CA 57.852 57.852 56.388 1.464 RESID 237 (F): CB 39.745 39.745 39.356 0.389 RESID 237 (F): H 7.258 7.258 7.692 -0.434 RESID 238 (I): N 120.764 120.764 121.093 -0.329 RESID 238 (I): HA 4.409 4.409 4.294 0.115 RESID 238 (I): CA 58.300 58.300 57.629 0.671 RESID 238 (I): CB 38.600 38.600 39.682 -1.082 RESID 238 (I): H 7.389 7.389 6.883 0.506 RESID 239 (P): HA 4.306 4.306 4.243 0.063 RESID 239 (P): C 178.950 178.950 177.315 1.635 RESID 239 (P): CA 66.670 66.670 63.491 3.179 RESID 239 (P): CB 32.190 32.190 32.036 0.154 RESID 240 (A): N 118.854 118.854 124.716 -5.862 RESID 240 (A): HA 4.134 4.134 4.011 0.123 RESID 240 (A): CA 55.031 55.031 54.031 1.000 RESID 240 (A): CB 18.841 18.841 17.111 1.730 RESID 240 (A): H 9.101 9.101 8.676 0.425 RESID 241 (L): N 118.846 118.846 121.506 -2.660 RESID 241 (L): HA 4.250 4.250 3.932 0.318 RESID 241 (L): C 177.407 177.407 178.124 -0.717 RESID 241 (L): CA 56.333 56.333 57.565 -1.232 RESID 241 (L): CB 42.390 42.390 42.052 0.338 RESID 241 (L): H 7.731 7.731 7.550 0.181 RESID 242 (E): N 122.048 122.048 117.617 4.431 RESID 242 (E): HA 3.961 3.961 3.984 -0.023 RESID 242 (E): C 178.465 178.465 178.911 -0.446 RESID 242 (E): CA 60.820 60.820 59.309 1.511 RESID 242 (E): CB 28.886 28.886 29.244 -0.358 RESID 242 (E): H 8.705 8.705 8.091 0.614 RESID 243 (A): N 118.880 118.880 120.903 -2.023 RESID 243 (A): HA 4.038 4.038 4.222 -0.184 RESID 243 (A): C 179.841 179.841 179.235 0.606 RESID 243 (A): CA 54.930 54.930 54.442 0.488 RESID 243 (A): CB 17.700 17.700 18.169 -0.469 RESID 243 (A): H 8.105 8.105 7.571 0.534 RESID 244 (A): N 121.399 121.399 123.154 -1.755 RESID 244 (A): HA 4.037 4.037 3.888 0.149 RESID 244 (A): C 179.839 179.839 179.569 0.270 RESID 244 (A): CA 55.418 55.418 55.060 0.358 RESID 244 (A): H 7.491 7.491 8.037 -0.546 RESID 245 (V): N 120.239 120.239 118.139 2.100 RESID 245 (V): HA 3.382 3.382 3.586 -0.204 RESID 245 (V): C 177.909 177.909 177.906 0.003 RESID 245 (V): CA 67.163 67.163 66.566 0.597 RESID 245 (V): CB 31.790 31.790 30.738 1.052 RESID 245 (V): H 8.612 8.612 7.602 1.010 RESID 246 (K): N 119.270 119.270 119.925 -0.655 RESID 246 (K): HA 4.165 4.165 3.868 0.297 RESID 246 (K): C 180.603 180.603 178.917 1.686 RESID 246 (K): CA 60.553 60.553 59.681 0.872 RESID 246 (K): CB 31.828 31.828 32.132 -0.304 RESID 246 (K): H 8.366 8.366 7.408 0.958 RESID 247 (Q): N 120.085 120.085 118.460 1.625 RESID 247 (Q): HA 4.055 4.055 4.089 -0.034 RESID 247 (Q): C 178.255 178.255 178.195 0.060 RESID 247 (Q): CA 58.524 58.524 58.702 -0.178 RESID 247 (Q): CB 28.234 28.234 28.713 -0.479 RESID 247 (Q): H 8.302 8.302 8.036 0.266 RESID 248 (A): N 125.463 125.463 122.518 2.945 RESID 248 (A): HA 3.877 3.877 4.052 -0.175 RESID 248 (A): C 179.700 179.700 179.953 -0.253 RESID 248 (A): CA 55.253 55.253 55.227 0.026 RESID 248 (A): CB 18.658 18.658 18.132 0.526 RESID 248 (A): H 8.194 8.194 7.841 0.353 RESID 249 (Y): N 116.381 116.381 116.140 0.241 RESID 249 (Y): HA 4.300 4.300 4.679 -0.379 RESID 249 (Y): C 180.993 180.993 177.100 3.893 RESID 249 (Y): CA 63.361 63.361 59.518 3.843 RESID 249 (Y): CB 38.068 38.068 38.063 0.005 RESID 249 (Y): H 8.686 8.686 8.553 0.133 RESID 250 (A): N 124.956 124.956 120.620 4.336 RESID 250 (A): HA 4.161 4.161 4.429 -0.268 RESID 250 (A): C 179.621 179.621 177.940 1.681 RESID 250 (A): CA 55.220 55.220 53.178 2.042 RESID 250 (A): CB 17.500 17.500 18.767 -1.266 RESID 250 (A): H 8.448 8.448 7.667 0.781 RESID 251 (A): N 119.409 119.409 120.671 -1.262 RESID 251 (A): HA 4.163 4.163 4.429 -0.266 RESID 251 (A): C 178.588 178.588 179.033 -0.445 RESID 251 (A): CA 55.206 55.206 54.089 1.117 RESID 251 (A): CB 17.804 17.804 19.659 -1.855 RESID 251 (A): H 7.649 7.649 8.128 -0.479 RESID 252 (T): N 106.194 106.194 112.561 -6.367 RESID 252 (T): HA 4.392 4.392 3.871 0.521 RESID 252 (T): C 176.679 176.679 176.388 0.291 RESID 252 (T): CA 62.376 62.376 65.358 -2.982 RESID 252 (T): CB 70.838 70.838 68.799 2.039 RESID 252 (T): H 7.806 7.806 8.038 -0.232 RESID 253 (V): N 121.805 121.805 119.956 1.849 RESID 253 (V): HA 3.754 3.754 3.363 0.391 RESID 253 (V): C 176.213 176.213 176.809 -0.596 RESID 253 (V): CA 65.339 65.339 64.682 0.657 RESID 253 (V): CB 31.971 31.971 30.957 1.014 RESID 253 (V): H 7.173 7.173 8.178 -1.005 RESID 254 (A): N 122.834 122.834 119.037 3.797 RESID 254 (A): HA 4.457 4.457 4.511 -0.054 RESID 254 (A): C 177.007 177.007 176.229 0.778 RESID 254 (A): CA 51.859 51.859 52.724 -0.865 RESID 254 (A): CB 18.494 18.494 20.529 -2.035 RESID 254 (A): H 8.542 8.542 8.292 0.250 RESID 255 (T): N 114.241 114.241 112.889 1.352 RESID 255 (T): HA 4.222 4.222 4.025 0.197 RESID 255 (T): C 173.687 173.687 173.778 -0.091 RESID 255 (T): CA 62.138 62.138 62.951 -0.813 RESID 255 (T): CB 70.584 70.584 69.442 1.142 RESID 255 (T): H 7.469 7.469 7.758 -0.289 RESID 256 (A): N 128.290 128.290 124.621 3.669 RESID 256 (A): HA 4.515 4.515 4.187 0.328 RESID 256 (A): C 176.782 176.782 176.189 0.593 RESID 256 (A): CA 51.165 51.165 51.257 -0.092 RESID 256 (A): CB 17.596 17.596 18.852 -1.256 RESID 256 (A): H 8.625 8.625 8.126 0.499 RESID 257 (P): HA 4.089 4.089 4.217 -0.128 RESID 257 (P): C 178.670 178.670 175.905 2.765 RESID 257 (P): CA 66.250 66.250 64.235 2.015 RESID 257 (P): CB 32.400 32.400 30.400 2.000 RESID 258 (E): N 115.538 115.538 121.873 -6.335 RESID 258 (E): HA 4.205 4.205 4.370 -0.165 RESID 258 (E): C 177.484 177.484 176.204 1.280 RESID 258 (E): CA 59.489 59.489 57.167 2.322 RESID 258 (E): CB 28.896 28.896 31.309 -2.413 RESID 258 (E): H 9.711 9.711 8.803 0.908 RESID 259 (V): N 113.043 113.043 113.650 -0.607 RESID 259 (V): HA 4.641 4.641 4.774 -0.133 RESID 259 (V): C 175.536 175.536 176.563 -1.027 RESID 259 (V): CA 61.065 61.065 61.756 -0.691 RESID 259 (V): CB 32.652 32.652 32.971 -0.320 RESID 259 (V): H 7.765 7.765 7.541 0.224 RESID 260 (K): N 121.849 121.849 122.387 -0.538 RESID 260 (K): HA 3.769 3.769 3.882 -0.113 RESID 260 (K): C 177.750 177.750 177.364 0.386 RESID 260 (K): CA 61.507 61.507 59.315 2.192 RESID 260 (K): CB 34.189 34.189 31.365 2.824 RESID 260 (K): H 7.415 7.415 8.626 -1.211 RESID 261 (Y): N 117.222 117.222 117.284 -0.062 RESID 261 (Y): HA 3.803 3.803 4.465 -0.662 RESID 261 (Y): C 176.020 176.020 178.206 -2.186 RESID 261 (Y): CA 62.761 62.761 60.946 1.815 RESID 261 (Y): CB 36.982 36.982 37.884 -0.902 RESID 261 (Y): H 8.942 8.942 7.951 0.991 RESID 262 (T): N 115.869 115.869 117.481 -1.612 RESID 262 (T): HA 4.136 4.136 4.024 0.112 RESID 262 (T): C 177.136 177.136 176.525 0.611 RESID 262 (T): CA 68.855 68.855 66.779 2.076 RESID 262 (T): CB 66.818 66.818 68.199 -1.381 RESID 262 (T): H 7.822 7.822 8.208 -0.386 RESID 263 (V): N 123.471 123.471 121.404 2.067 RESID 263 (V): HA 3.507 3.507 3.692 -0.185 RESID 263 (V): C 178.020 178.020 177.100 0.920 RESID 263 (V): CA 67.000 67.000 66.952 0.048 RESID 263 (V): CB 31.699 31.699 31.318 0.381 RESID 263 (V): H 8.051 8.051 8.710 -0.659 RESID 264 (F): N 123.178 123.178 120.589 2.589 RESID 264 (F): HA 3.812 3.812 4.026 -0.214 RESID 264 (F): C 175.217 175.217 177.168 -1.951 RESID 264 (F): CA 60.720 60.720 61.872 -1.152 RESID 264 (F): CB 39.637 39.637 39.192 0.445 RESID 264 (F): H 8.047 8.047 7.546 0.501 RESID 265 (E): N 120.524 120.524 119.408 1.116 RESID 265 (E): HA 2.959 2.959 4.186 -1.228 RESID 265 (E): C 178.300 178.300 178.880 -0.580 RESID 265 (E): CA 59.854 59.854 59.569 0.285 RESID 265 (E): CB 30.318 30.318 29.939 0.379 RESID 265 (E): H 8.830 8.830 8.380 0.450 RESID 266 (T): N 114.371 114.371 117.528 -3.157 RESID 266 (T): HA 3.694 3.694 3.943 -0.249 RESID 266 (T): C 176.020 176.020 176.523 -0.503 RESID 266 (T): CA 66.645 66.645 66.515 0.130 RESID 266 (T): CB 68.704 68.704 68.849 -0.145 RESID 266 (T): H 7.978 7.978 8.491 -0.513 RESID 267 (A): N 124.070 124.070 124.324 -0.254 RESID 267 (A): HA 3.899 3.899 4.052 -0.153 RESID 267 (A): C 180.615 180.615 179.241 1.374 RESID 267 (A): CA 54.950 54.950 55.367 -0.417 RESID 267 (A): CB 17.668 17.668 18.091 -0.423 RESID 267 (A): H 7.908 7.908 8.737 -0.829 RESID 268 (L): N 121.494 121.494 118.817 2.677 RESID 268 (L): HA 3.716 3.716 3.809 -0.093 RESID 268 (L): C 177.403 177.403 178.796 -1.393 RESID 268 (L): CA 57.095 57.095 57.763 -0.668 RESID 268 (L): CB 35.715 35.715 40.515 -4.800 RESID 268 (L): H 8.499 8.499 7.394 1.105 RESID 269 (K): N 118.900 118.900 119.486 -0.586 RESID 269 (K): HA 2.946 2.946 3.637 -0.691 RESID 269 (K): C 179.440 179.440 178.677 0.763 RESID 269 (K): CA 59.500 59.500 59.792 -0.292 RESID 269 (K): CB 31.880 31.880 32.149 -0.269 RESID 269 (K): H 7.678 7.678 7.522 0.156 RESID 270 (K): N 118.900 118.900 119.004 -0.104 RESID 270 (K): HA 3.814 3.814 3.977 -0.163 RESID 270 (K): C 178.960 178.960 178.604 0.356 RESID 270 (K): CA 59.770 59.770 59.273 0.497 RESID 270 (K): CB 32.330 32.330 32.243 0.087 RESID 270 (K): H 7.678 7.678 7.973 -0.295 RESID 271 (A): N 122.628 122.628 121.857 0.771 RESID 271 (A): HA 4.078 4.078 4.064 0.014 RESID 271 (A): C 180.707 180.707 179.834 0.873 RESID 271 (A): CA 54.835 54.835 55.060 -0.225 RESID 271 (A): CB 18.694 18.694 18.193 0.501 RESID 271 (A): H 7.699 7.699 8.179 -0.480 RESID 272 (I): N 120.190 120.190 118.357 1.833 RESID 272 (I): HA 3.616 3.616 3.621 -0.005 RESID 272 (I): C 178.458 178.458 178.072 0.386 RESID 272 (I): CA 65.296 65.296 65.069 0.227 RESID 272 (I): CB 37.724 37.724 37.828 -0.104 RESID 272 (I): H 8.519 8.519 8.337 0.182 RESID 273 (T): N 118.748 118.748 116.690 2.058 RESID 273 (T): HA 4.227 4.227 3.922 0.305 RESID 273 (T): C 176.122 176.122 175.973 0.149 RESID 273 (T): CA 68.686 68.686 67.130 1.556 RESID 273 (T): CB 67.031 67.031 68.197 -1.166 RESID 273 (T): H 8.329 8.329 8.024 0.305 RESID 274 (A): N 122.829 122.829 124.839 -2.010 RESID 274 (A): HA 4.120 4.120 3.955 0.165 RESID 274 (A): C 180.580 180.580 179.541 1.039 RESID 274 (A): CA 55.013 55.013 55.378 -0.365 RESID 274 (A): CB 17.770 17.770 18.289 -0.519 RESID 274 (A): H 7.841 7.841 8.122 -0.281 RESID 275 (M): N 118.352 118.352 115.617 2.735 RESID 275 (M): HA 4.082 4.082 4.165 -0.083 RESID 275 (M): C 178.226 178.226 178.042 0.184 RESID 275 (M): CA 59.240 59.240 58.344 0.896 RESID 275 (M): CB 33.624 33.624 32.540 1.084 RESID 275 (M): H 7.886 7.886 8.083 -0.197 RESID 276 (S): N 115.242 115.242 115.203 0.039 RESID 276 (S): HA 4.100 4.100 4.302 -0.202 RESID 276 (S): C 176.687 176.687 177.119 -0.432 RESID 276 (S): CA 60.920 60.920 61.170 -0.250 RESID 276 (S): CB 62.763 62.763 63.528 -0.765 RESID 276 (S): H 8.154 8.154 7.827 0.327 RESID 277 (E): N 120.950 120.950 122.647 -1.697 RESID 277 (E): HA 3.990 3.990 4.091 -0.101 RESID 277 (E): C 178.562 178.562 178.613 -0.051 RESID 277 (E): CA 58.426 58.426 58.997 -0.571 RESID 277 (E): CB 29.510 29.510 29.443 0.067 RESID 277 (E): H 8.336 8.336 8.556 -0.220 RESID 278 (A): N 121.655 121.655 121.908 -0.253 RESID 278 (A): HA 4.137 4.137 4.163 -0.026 RESID 278 (A): C 179.412 179.412 179.341 0.071 RESID 278 (A): CA 54.163 54.163 54.513 -0.350 RESID 278 (A): CB 18.234 18.234 18.158 0.076 RESID 278 (A): H 7.943 7.943 8.225 -0.282 RESID 279 (Q): N 116.951 116.951 118.518 -1.567 RESID 279 (Q): HA 4.138 4.138 4.063 0.075 RESID 279 (Q): C 177.164 177.164 177.777 -0.613 RESID 279 (Q): CA 56.987 56.987 58.252 -1.265 RESID 279 (Q): CB 28.602 28.602 28.528 0.074 RESID 279 (Q): H 7.791 7.791 7.570 0.221 RESID 280 (K): N 119.993 119.993 115.703 4.290 RESID 280 (K): HA 4.089 4.089 4.121 -0.032 RESID 280 (K): C 176.909 176.909 176.490 0.419 RESID 280 (K): CA 57.700 57.700 57.665 0.035 RESID 280 (K): CB 32.860 32.860 32.780 0.080 RESID 280 (K): H 7.863 7.863 8.016 -0.153 RESID 281 (A): N 122.367 122.367 120.748 1.619 RESID 281 (A): HA 4.206 4.206 4.592 -0.386 RESID 281 (A): C 177.375 177.375 175.736 1.639 RESID 281 (A): CA 52.474 52.474 51.624 0.850 RESID 281 (A): CB 19.140 19.140 20.974 -1.835 RESID 281 (A): H 7.841 7.841 7.376 0.465 RESID 282 (A): N 122.465 122.465 124.187 -1.722 RESID 282 (A): HA 4.211 4.211 4.364 -0.153 RESID 282 (A): C 177.333 177.333 177.124 0.209 RESID 282 (A): CA 52.413 52.413 52.601 -0.188 RESID 282 (A): CB 19.016 19.016 19.133 -0.116 RESID 282 (A): H 7.891 7.891 8.507 -0.616 RESID 283 (K): N 121.934 121.934 118.074 3.860 RESID 283 (K): HA 4.560 4.560 4.863 -0.303 RESID 283 (K): C 181.141 181.141 173.474 7.667 RESID 283 (K): CA 54.069 54.069 53.319 0.750 RESID 283 (K): CB 32.644 32.644 33.141 -0.497 RESID 283 (K): H 8.140 8.140 7.619 0.521 RESID 284 (P): HA 4.331 4.331 4.759 -0.428 RESID 284 (P): C 172.250 172.250 175.637 -3.387 RESID 284 (P): CA 63.500 63.500 62.775 0.725 RESID 284 (P): CB 32.160 32.160 33.045 -0.885 N HA C CA CB H RESID 57 (G): 2.436 ----- 0.578 0.214 ----- -0.264 RESID 58 (K): 1.929 -0.222 1.292 0.463 -1.466 -0.195 RESID 59 (A): 1.352 -0.193 0.804 -0.249 0.533 0.066 RESID 60 (T): -0.634 -0.053 1.370 1.030 0.164 0.134 RESID 61 (T): 2.191 -0.237 0.880 1.583 -0.596 0.439 RESID 62 (E): -1.351 -0.068 1.185 0.054 -0.537 -0.041 RESID 63 (E): 0.155 -0.139 -1.612 0.747 0.599 0.302 RESID 64 (Q): 0.729 -0.191 0.451 0.441 0.217 0.187 RESID 65 (K): -1.802 -0.099 -0.219 0.165 0.220 0.358 RESID 66 (L): -0.702 -0.007 0.045 0.223 -0.834 -0.754 RESID 67 (I): -0.595 0.161 0.160 -1.015 -1.297 -0.677 RESID 68 (E): 1.964 0.039 2.721 0.937 -0.350 0.271 RESID 69 (K): 1.116 -0.001 1.701 0.919 0.725 0.232 RESID 70 (I): 3.917 0.127 2.255 -0.415 -1.674 0.237 RESID 71 (N): 2.654 0.355 1.818 -0.572 0.242 0.990 RESID 72 (A): 2.046 0.163 1.480 0.326 -0.345 0.717 RESID 73 (G): 2.826 ----- -1.475 0.088 ----- 0.763 RESID 74 (F): 3.054 -0.279 -0.738 3.155 1.075 0.457 RESID 75 (K): -1.416 0.024 0.838 0.810 0.707 -0.843 RESID 76 (A): 1.711 0.003 0.946 -0.278 -0.491 0.309 RESID 77 (A): 3.784 -0.292 -0.601 0.724 -0.212 1.112 RESID 78 (L): 2.328 0.402 0.764 0.587 1.050 -0.044 RESID 79 (A): 0.135 -0.012 1.096 -0.006 -0.288 -0.982 RESID 80 (A): 1.187 -0.076 2.473 0.407 0.348 0.799 RESID 81 (A): -1.021 -0.153 0.762 0.008 -0.636 0.860 RESID 82 (A): 0.103 -0.545 1.747 3.005 -2.302 0.419 RESID 83 (G): 18.685 ----- -0.588 0.071 ----- -1.242 RESID 84 (V): -7.383 0.644 -0.642 -2.963 2.176 -0.960 RESID 85 (Q): -0.207 -0.138 ----- 0.895 -1.643 0.341 RESID 86 (P): ----- 0.251 ----- -2.089 2.373 ----- RESID 87 (A): -6.753 -0.031 2.062 2.748 -1.254 1.013 RESID 88 (D): -2.617 0.645 1.316 -1.395 2.527 -0.550 RESID 89 (K): 8.328 -0.811 -0.926 3.852 0.375 -0.702 RESID 90 (Y): -2.521 -0.633 -1.522 1.829 -1.130 1.083 RESID 91 (R): 0.579 -0.312 0.650 -0.554 -0.284 0.204 RESID 92 (T): 0.919 -0.183 -0.015 1.046 0.443 0.295 RESID 93 (F): 2.873 -0.372 -0.192 0.982 0.855 1.453 RESID 94 (V): -1.199 -0.605 1.875 1.940 0.201 0.885 RESID 95 (A): 0.887 -0.261 1.074 0.257 -0.423 -0.425 RESID 96 (T): -0.782 0.032 1.085 2.188 -2.119 -0.857 RESID 97 (F): 0.915 -0.191 0.638 0.659 0.920 1.433 RESID 98 (G): 1.143 ----- 0.758 0.129 ----- 0.647 RESID 99 (A): -2.286 -0.145 1.016 0.607 -0.620 0.219 RESID 100 (A): 0.669 0.255 1.607 -0.430 -0.748 0.861 RESID 101 (S): 3.482 0.153 0.395 7.326 4.868 -0.060 RESID 102 (N): ----- 0.065 ----- -0.690 -0.444 ----- RESID 103 (K): -0.940 0.082 -0.371 -0.206 0.207 0.200 RESID 104 (A): -0.929 -0.058 0.467 -0.571 -0.098 0.333 RESID 105 (F): -1.530 0.089 0.367 -0.592 0.029 -0.124 RESID 106 (A): 2.549 -0.025 ----- -0.182 -0.023 -0.241 RESID 107 (E): -1.639 -0.225 -0.876 0.738 0.247 0.492 RESID 108 (G): 0.426 ----- -0.916 -1.028 ----- -0.395 RESID 109 (L): 3.082 -0.163 1.812 1.381 1.624 0.207 RESID 110 (S): 1.008 -0.225 0.792 1.410 -1.496 0.675 RESID 111 (G): 0.959 ----- 0.038 0.145 ----- 0.121 RESID 112 (E): 4.191 0.442 ----- -2.212 1.496 -0.491 RESID 113 (P): ----- 0.034 ----- -0.006 0.067 ----- RESID 114 (K): -3.765 -0.412 1.705 0.529 -2.812 0.060 RESID 115 (G): 1.634 ----- 0.292 0.515 ----- 0.297 RESID 116 (A): 1.559 -0.020 0.870 -0.304 0.441 -0.244 RESID 117 (A): 1.884 -0.260 2.366 1.388 -1.343 0.896 RESID 118 (E): -0.885 -0.539 0.905 0.240 -0.747 -0.208 RESID 119 (S): 3.768 -0.237 -0.463 0.236 -0.249 0.598 RESID 120 (S): 1.703 0.050 -0.009 -1.065 -0.078 0.369 RESID 121 (S): 1.409 0.053 0.289 -0.063 -0.100 -0.011 RESID 122 (K): 0.582 0.099 ----- 0.375 0.194 0.457 RESID 123 (A): 2.569 0.030 ----- -0.557 0.131 0.800 RESID 124 (A): 0.046 0.053 ----- -0.324 0.054 0.594 RESID 125 (L): 1.427 0.025 -0.044 0.076 -0.368 0.229 RESID 126 (T): 0.856 -0.042 -0.445 1.180 -1.782 0.577 RESID 127 (S): -1.694 0.090 0.749 -0.341 -0.269 -0.599 RESID 128 (K): 0.535 -0.011 1.075 0.925 0.463 -0.021 RESID 129 (L): 1.638 -0.661 -2.703 0.252 -0.056 0.181 RESID 130 (D): -3.102 -0.469 0.369 0.061 0.421 -0.636 RESID 131 (A): -2.736 -0.163 0.776 -0.173 -0.541 -0.622 RESID 132 (A): 2.109 -0.051 0.085 -0.134 -0.058 -0.321 RESID 133 (Y): -1.127 0.043 2.721 -4.528 -2.744 0.666 RESID 134 (K): 1.177 0.068 -0.038 1.260 0.677 0.065 RESID 135 (L): 1.915 0.060 1.928 0.283 0.347 -0.263 RESID 136 (A): 3.276 -0.332 -1.183 1.014 -0.702 0.077 RESID 137 (Y): -1.597 1.336 -0.524 2.099 0.645 0.107 RESID 138 (K): -0.705 0.174 1.074 -0.253 0.051 0.456 RESID 139 (T): 0.775 0.169 0.941 3.533 -1.772 0.429 RESID 140 (A): 1.074 -0.099 0.941 0.376 1.540 0.909 RESID 141 (E): 0.241 -0.240 -0.432 0.396 -0.028 0.974 RESID 142 (G): -2.770 ----- -1.154 -0.522 ----- 0.014 RESID 143 (A): 1.270 0.143 0.635 -1.171 0.427 -0.185 RESID 144 (T): -4.935 0.129 0.406 0.234 -1.728 -0.092 RESID 145 (P): ----- -0.266 2.143 2.952 0.292 ----- RESID 146 (E): 0.468 0.283 0.093 -0.182 0.291 0.363 RESID 147 (A): 2.653 0.134 -0.559 -0.958 1.206 -0.172 RESID 148 (K): 0.365 -0.532 -0.708 2.178 1.272 -0.430 RESID 149 (Y): -1.288 -0.279 -2.174 0.780 -0.516 0.722 RESID 150 (D): -1.263 -0.464 0.718 0.308 0.097 -0.023 RESID 152 (Y): ----- -0.302 -0.514 2.465 1.135 ----- RESID 153 (V): -2.499 -0.127 1.037 1.048 0.791 0.036 RESID 154 (A): 0.558 -0.036 -2.511 -0.218 0.195 -0.132 RESID 155 (T): -1.725 -0.172 0.305 -0.181 -0.063 -0.363 RESID 156 (L): -0.579 -0.072 ----- -0.624 0.774 0.863 RESID 157 (S): -3.039 -0.129 1.005 -0.540 -1.337 0.848 RESID 158 (E): -0.694 0.075 -0.814 -0.495 -0.065 -0.287 RESID 159 (A): -1.449 -0.034 0.893 0.106 0.037 0.188 RESID 160 (L): -2.952 -0.253 0.558 0.336 -0.823 -0.116 RESID 161 (R): 2.548 -0.164 0.760 0.367 -0.381 -0.603 RESID 162 (I): 0.483 -0.137 2.788 0.615 -0.396 -0.436 RESID 163 (I): ----- -0.108 ----- 0.416 0.789 ----- RESID 164 (A): 1.497 -0.235 0.764 0.709 -0.138 0.828 RESID 165 (G): -1.864 ----- 0.051 0.446 ----- 0.232 RESID 166 (T): -5.188 0.190 -0.687 -2.923 0.597 -0.247 RESID 167 (L): 1.523 0.146 -0.456 -1.643 0.063 -0.148 RESID 168 (E): 2.116 -0.270 -1.104 1.151 -0.827 0.219 RESID 169 (V): 2.305 0.084 0.180 -8.114 ----- -0.477 RESID 170 (H): 9.784 -0.056 0.955 -0.468 -1.846 1.256 RESID 171 (A): 1.436 -0.017 1.016 0.135 -1.088 -0.081 RESID 172 (V): 0.788 0.014 0.354 -1.201 0.806 0.416 RESID 173 (K): -1.381 ----- -0.314 -0.689 -0.711 0.091 RESID 174 (P): ----- 0.050 ----- -0.684 0.495 ----- RESID 175 (A): 3.981 -0.111 1.343 1.741 1.837 0.256 RESID 176 (A): -3.464 0.085 -1.231 0.270 -0.189 0.180 RESID 177 (E): 1.199 0.099 -1.482 -2.282 0.621 -0.329 RESID 178 (E): 3.451 -0.191 0.012 0.732 3.152 -0.398 RESID 179 (V): 3.416 0.073 -0.312 -1.941 0.025 0.447 RESID 180 (K): 7.524 -0.162 1.773 -0.425 -0.978 0.485 RESID 181 (V): -0.725 -0.288 1.521 -0.469 -0.309 -0.049 RESID 182 (I): 4.384 ----- 0.577 -0.149 0.818 0.186 RESID 183 (P): ----- -0.215 -0.581 0.518 0.271 ----- RESID 184 (A): 1.051 0.108 1.375 0.206 0.077 0.184 RESID 185 (G): -0.347 ----- 0.484 1.170 ----- 0.468 RESID 186 (E): -0.773 0.196 -0.168 -0.481 1.072 -0.445 RESID 187 (L): 2.570 -0.092 -0.912 -0.799 0.996 0.087 RESID 188 (Q): 0.784 0.099 -0.702 -0.825 0.626 -0.357 RESID 189 (V): -2.296 -0.027 -0.349 -0.182 0.210 0.438 RESID 190 (I): 0.730 -0.055 0.581 -0.647 -1.292 0.500 RESID 191 (E): -0.053 0.141 0.956 0.545 0.834 0.454 RESID 192 (K): -1.223 0.139 0.121 -1.055 -0.721 -0.003 RESID 193 (V): 2.697 -0.125 -1.376 0.188 -0.101 0.838 RESID 194 (D): 1.884 -0.044 0.743 0.697 0.888 0.702 RESID 195 (A): -1.550 -0.113 0.827 0.804 -1.004 0.352 RESID 196 (A): 0.345 -0.039 -0.488 0.154 1.203 0.063 RESID 197 (F): 1.188 -0.412 -1.216 0.059 -0.259 1.346 RESID 198 (K): -1.041 -0.193 1.622 -0.618 -0.052 -0.451 RESID 199 (V): 2.103 -0.121 1.188 0.221 0.651 -0.562 RESID 200 (A): 3.393 -0.496 -0.566 0.431 0.583 0.754 RESID 201 (A): -0.872 -0.092 1.077 -0.591 -0.379 -0.969 RESID 202 (T): 1.249 0.140 -0.151 -5.106 -6.830 -0.169 RESID 203 (A): 1.957 -0.141 2.322 0.685 -0.675 -0.092 RESID 204 (A): 2.198 0.129 0.662 1.425 -0.414 1.176 RESID 205 (N): -4.100 -0.073 -1.736 0.888 0.967 0.410 RESID 206 (A): -3.413 0.141 -0.474 3.817 0.078 -0.815 RESID 207 (A): -0.103 0.349 -2.771 -0.314 -0.137 -0.023 RESID 208 (P): ----- 0.152 1.052 -2.081 0.431 ----- RESID 209 (A): 3.901 -0.446 3.211 4.048 0.131 1.080 RESID 210 (N): -5.819 -0.224 0.240 2.325 -1.333 0.519 RESID 211 (D): 4.516 0.710 -1.013 -2.578 3.918 -0.608 RESID 212 (K): 0.252 -0.502 -0.825 2.819 0.713 -1.062 RESID 213 (F): -2.506 -0.163 0.579 0.111 0.849 -0.434 RESID 214 (T): -1.345 ----- 1.544 -1.921 0.395 -0.325 RESID 215 (V): 1.695 0.056 0.517 -0.121 -0.163 0.192 RESID 216 (F): -0.921 -0.211 -0.320 0.873 0.238 1.068 RESID 217 (E): -0.749 -0.139 -1.261 2.685 1.142 -0.383 RESID 218 (A): -3.333 -0.033 0.840 0.306 -0.364 -0.080 RESID 219 (A): -2.273 0.081 0.913 -0.126 0.459 0.019 RESID 220 (F): 1.963 0.361 0.317 -2.996 1.408 0.399 RESID 221 (N): 0.440 -0.028 ----- 0.575 -0.452 0.799 RESID 222 (D): -1.027 -0.107 0.959 0.754 -0.164 -0.187 RESID 223 (A): -0.178 0.182 ----- -0.206 0.136 0.020 RESID 224 (I): 4.924 -0.052 0.077 0.511 0.637 1.302 RESID 225 (K): 3.550 0.149 0.301 -0.841 -0.043 1.137 RESID 226 (A): -1.299 0.087 1.795 -0.284 0.162 -0.574 RESID 227 (S): -0.464 0.157 -0.705 0.384 0.482 0.502 RESID 228 (T): -3.354 0.401 ----- -2.109 0.547 0.310 RESID 229 (G): 3.007 ----- 2.637 2.341 ----- 0.421 RESID 230 (G): -2.651 ----- -0.197 -0.856 ----- 0.038 RESID 231 (A): -0.775 -0.254 0.163 2.041 -0.153 0.068 RESID 232 (Y): -1.770 0.260 -0.929 -3.453 3.872 -0.981 RESID 233 (E): 0.634 -0.403 -1.389 -0.349 0.939 -0.600 RESID 234 (S): -6.807 -0.151 1.542 -1.437 -0.480 -0.235 RESID 235 (Y): -2.890 -0.588 0.665 1.651 0.907 -0.560 RESID 236 (K): -5.805 -0.902 1.586 1.192 -1.844 -1.214 RESID 237 (F): -0.513 -0.217 -0.463 1.464 0.389 -0.434 RESID 238 (I): -0.329 0.115 ----- 0.671 -1.082 0.506 RESID 239 (P): ----- 0.063 1.635 3.179 0.154 ----- RESID 240 (A): -5.862 0.123 ----- 1.000 1.730 0.425 RESID 241 (L): -2.660 0.318 -0.717 -1.232 0.338 0.181 RESID 242 (E): 4.431 -0.023 -0.446 1.511 -0.358 0.614 RESID 243 (A): -2.023 -0.184 0.606 0.488 -0.469 0.534 RESID 244 (A): -1.755 0.149 0.270 0.358 ----- -0.546 RESID 245 (V): 2.100 -0.204 0.003 0.597 1.052 1.010 RESID 246 (K): -0.655 0.297 1.686 0.872 -0.304 0.958 RESID 247 (Q): 1.625 -0.034 0.060 -0.178 -0.479 0.266 RESID 248 (A): 2.945 -0.175 -0.253 0.026 0.526 0.353 RESID 249 (Y): 0.241 -0.379 3.893 3.843 0.005 0.133 RESID 250 (A): 4.336 -0.268 1.681 2.042 -1.266 0.781 RESID 251 (A): -1.262 -0.266 -0.445 1.117 -1.855 -0.479 RESID 252 (T): -6.367 0.521 0.291 -2.982 2.039 -0.232 RESID 253 (V): 1.849 0.391 -0.596 0.657 1.014 -1.005 RESID 254 (A): 3.797 -0.054 0.778 -0.865 -2.035 0.250 RESID 255 (T): 1.352 0.197 -0.091 -0.813 1.142 -0.289 RESID 256 (A): 3.669 0.328 0.593 -0.092 -1.256 0.499 RESID 257 (P): ----- -0.128 2.765 2.015 2.000 ----- RESID 258 (E): -6.335 -0.165 1.280 2.322 -2.413 0.908 RESID 259 (V): -0.607 -0.133 -1.027 -0.691 -0.320 0.224 RESID 260 (K): -0.538 -0.113 0.386 2.192 2.824 -1.211 RESID 261 (Y): -0.062 -0.662 -2.186 1.815 -0.902 0.991 RESID 262 (T): -1.612 0.112 0.611 2.076 -1.381 -0.386 RESID 263 (V): 2.067 -0.185 0.920 0.048 0.381 -0.659 RESID 264 (F): 2.589 -0.214 -1.951 -1.152 0.445 0.501 RESID 265 (E): 1.116 -1.228 -0.580 0.285 0.379 0.450 RESID 266 (T): -3.157 -0.249 -0.503 0.130 -0.145 -0.513 RESID 267 (A): -0.254 -0.153 1.374 -0.417 -0.423 -0.829 RESID 268 (L): 2.677 -0.093 -1.393 -0.668 -4.800 1.105 RESID 269 (K): -0.586 -0.691 0.763 -0.292 -0.269 0.156 RESID 270 (K): -0.104 -0.163 0.356 0.497 0.087 -0.295 RESID 271 (A): 0.771 0.014 0.873 -0.225 0.501 -0.480 RESID 272 (I): 1.833 -0.005 0.386 0.227 -0.104 0.182 RESID 273 (T): 2.058 0.305 0.149 1.556 -1.166 0.305 RESID 274 (A): -2.010 0.165 1.039 -0.365 -0.519 -0.281 RESID 275 (M): 2.735 -0.083 0.184 0.896 1.084 -0.197 RESID 276 (S): 0.039 -0.202 -0.432 -0.250 -0.765 0.327 RESID 277 (E): -1.697 -0.101 -0.051 -0.571 0.067 -0.220 RESID 278 (A): -0.253 -0.026 0.071 -0.350 0.076 -0.282 RESID 279 (Q): -1.567 0.075 -0.613 -1.265 0.074 0.221 RESID 280 (K): 4.290 -0.032 0.419 0.035 0.080 -0.153 RESID 281 (A): 1.619 -0.386 1.639 0.850 -1.835 0.465 RESID 282 (A): -1.722 -0.153 0.209 -0.188 -0.116 -0.616 RESID 283 (K): 3.860 -0.303 7.667 0.750 -0.497 0.521 RESID 284 (P): ----- -0.428 -3.387 0.725 -0.885 ----- DATA CS_STAT_INFO N RMS: 2.910 ppm Count: 216 Average Difference: -0.361 +/- 2.894 ppm DATA CS_STAT_INFO HA RMS: 0.287 ppm Count: 233 Average Difference: 0.051 +/- 0.283 ppm DATA CS_STAT_INFO C RMS: 1.301 ppm Count: 211 Average Difference: -0.367 +/- 1.251 ppm DATA CS_STAT_INFO CA RMS: 1.547 ppm Count: 228 Average Difference: -0.230 +/- 1.533 ppm DATA CS_STAT_INFO CB RMS: 1.227 ppm Count: 214 Average Difference: 0.008 +/- 1.230 ppm DATA CS_STAT_INFO HN RMS: 0.579 ppm Count: 216 Average Difference: -0.125 +/- 0.567 ppm ############################################################################ For conformer 5: Atom Original Corrected SPARTA Difference RESID 56 (A): N 123.960 123.960 122.801 1.159 RESID 56 (A): HA 4.219 4.219 4.126 0.093 RESID 56 (A): C 177.886 177.886 179.109 -1.223 RESID 56 (A): CA 52.782 52.782 53.117 -0.335 RESID 56 (A): CB 19.246 19.246 18.544 0.702 RESID 56 (A): H 8.814 8.814 7.950 0.864 RESID 57 (G): N 108.854 108.854 110.992 -2.138 RESID 57 (G): C 173.751 173.751 174.127 -0.376 RESID 57 (G): CA 45.130 45.130 44.884 0.246 RESID 57 (G): H 8.524 8.524 8.627 -0.103 RESID 58 (K): N 120.911 120.911 120.620 0.291 RESID 58 (K): HA 4.301 4.301 4.538 -0.237 RESID 58 (K): C 176.244 176.244 174.796 1.448 RESID 58 (K): CA 55.941 55.941 56.119 -0.178 RESID 58 (K): CB 33.552 33.552 33.532 0.020 RESID 58 (K): H 8.206 8.206 7.753 0.453 RESID 59 (A): N 126.086 126.086 126.641 -0.555 RESID 59 (A): HA 4.354 4.354 4.461 -0.107 RESID 59 (A): C 177.815 177.815 177.955 -0.140 RESID 59 (A): CA 52.346 52.346 52.631 -0.285 RESID 59 (A): CB 19.479 19.479 19.277 0.202 RESID 59 (A): H 8.518 8.518 8.481 0.037 RESID 60 (T): N 114.453 114.453 112.502 1.951 RESID 60 (T): HA 4.434 4.434 4.557 -0.123 RESID 60 (T): C 175.282 175.282 173.080 2.202 RESID 60 (T): CA 61.740 61.740 60.158 1.582 RESID 60 (T): CB 70.210 70.210 69.862 0.348 RESID 60 (T): H 8.402 8.402 7.509 0.893 RESID 61 (T): N 115.217 115.217 112.472 2.745 RESID 61 (T): HA 4.360 4.360 4.607 -0.247 RESID 61 (T): C 175.851 175.851 174.835 1.016 RESID 61 (T): CA 61.847 61.847 60.202 1.645 RESID 61 (T): CB 70.682 70.682 72.330 -1.648 RESID 61 (T): H 8.429 8.429 7.947 0.482 RESID 62 (E): N 120.843 120.843 122.787 -1.944 RESID 62 (E): HA 3.923 3.923 3.944 -0.021 RESID 62 (E): C 179.517 179.517 177.802 1.715 RESID 62 (E): CA 59.568 59.568 60.018 -0.450 RESID 62 (E): CB 29.223 29.223 29.193 0.030 RESID 62 (E): H 9.049 9.049 8.825 0.224 RESID 63 (E): N 119.900 119.900 119.815 0.085 RESID 63 (E): HA 3.768 3.768 3.855 -0.087 RESID 63 (E): C 177.635 177.635 178.502 -0.867 RESID 63 (E): CA 60.882 60.882 59.633 1.249 RESID 63 (E): CB 29.410 29.410 29.337 0.073 RESID 63 (E): H 8.857 8.857 8.129 0.728 RESID 64 (Q): N 118.374 118.374 118.862 -0.488 RESID 64 (Q): HA 3.821 3.821 4.007 -0.186 RESID 64 (Q): C 178.986 178.986 178.280 0.706 RESID 64 (Q): CA 58.831 58.831 58.362 0.469 RESID 64 (Q): CB 28.480 28.480 28.517 -0.037 RESID 64 (Q): H 7.923 7.923 7.662 0.261 RESID 65 (K): N 119.234 119.234 118.855 0.379 RESID 65 (K): HA 3.940 3.940 4.043 -0.103 RESID 65 (K): C 178.993 178.993 179.380 -0.387 RESID 65 (K): CA 59.547 59.547 59.014 0.533 RESID 65 (K): CB 32.502 32.502 32.398 0.104 RESID 65 (K): H 8.258 8.258 8.064 0.194 RESID 66 (L): N 120.500 120.500 121.660 -1.160 RESID 66 (L): HA 4.060 4.060 4.072 -0.012 RESID 66 (L): C 178.729 178.729 178.745 -0.016 RESID 66 (L): CA 58.217 58.217 57.662 0.555 RESID 66 (L): CB 41.328 41.328 42.105 -0.777 RESID 66 (L): H 7.786 7.786 8.490 -0.704 RESID 67 (I): N 118.533 118.533 119.286 -0.753 RESID 67 (I): HA 3.817 3.817 3.599 0.218 RESID 67 (I): C 177.644 177.644 176.520 1.124 RESID 67 (I): CA 62.837 62.837 63.968 -1.131 RESID 67 (I): CB 36.617 36.617 37.826 -1.209 RESID 67 (I): H 8.049 8.049 8.351 -0.302 RESID 68 (E): N 121.332 121.332 117.469 3.863 RESID 68 (E): HA 4.117 4.117 4.381 -0.264 RESID 68 (E): C 181.037 181.037 177.694 3.343 RESID 68 (E): CA 59.800 59.800 57.818 1.982 RESID 68 (E): CB 29.330 29.330 29.831 -0.501 RESID 68 (E): H 8.178 8.178 7.573 0.605 RESID 69 (K): N 120.580 120.580 120.046 0.534 RESID 69 (K): HA 4.120 4.120 4.224 -0.104 RESID 69 (K): C 180.563 180.563 178.647 1.916 RESID 69 (K): CA 59.667 59.667 58.221 1.446 RESID 69 (K): CB 33.436 33.436 33.251 0.185 RESID 69 (K): H 7.921 7.921 8.024 -0.103 RESID 70 (I): N 123.857 123.857 120.315 3.542 RESID 70 (I): HA 3.761 3.761 3.789 -0.028 RESID 70 (I): C 178.582 178.582 176.236 2.346 RESID 70 (I): CA 63.442 63.442 63.333 0.109 RESID 70 (I): CB 36.146 36.146 37.898 -1.752 RESID 70 (I): H 8.533 8.533 7.754 0.779 RESID 71 (N): N 121.132 121.132 118.805 2.327 RESID 71 (N): HA 4.596 4.596 4.185 0.411 RESID 71 (N): C 178.680 178.680 177.044 1.636 RESID 71 (N): CA 56.116 56.116 57.094 -0.979 RESID 71 (N): CB 37.991 37.991 37.670 0.321 RESID 71 (N): H 9.041 9.041 8.251 0.790 RESID 72 (A): N 123.574 123.574 122.395 1.179 RESID 72 (A): HA 4.231 4.231 4.148 0.083 RESID 72 (A): C 181.206 181.206 179.570 1.636 RESID 72 (A): CA 55.491 55.491 54.873 0.618 RESID 72 (A): CB 17.697 17.697 18.184 -0.487 RESID 72 (A): H 8.361 8.361 7.631 0.730 RESID 73 (G): N 109.949 109.949 107.231 2.718 RESID 73 (G): C 175.146 175.146 176.491 -1.345 RESID 73 (G): CA 47.137 47.137 46.945 0.192 RESID 73 (G): H 8.429 8.429 7.602 0.827 RESID 74 (F): N 124.896 124.896 121.312 3.584 RESID 74 (F): HA 4.079 4.079 4.273 -0.194 RESID 74 (F): C 177.084 177.084 177.587 -0.503 RESID 74 (F): CA 62.295 62.295 59.636 2.659 RESID 74 (F): CB 39.696 39.696 38.566 1.130 RESID 74 (F): H 9.000 9.000 8.393 0.607 RESID 75 (K): N 118.457 118.457 120.861 -2.404 RESID 75 (K): HA 4.009 4.009 3.934 0.075 RESID 75 (K): C 179.824 179.824 178.895 0.929 RESID 75 (K): CA 60.011 60.011 59.831 0.180 RESID 75 (K): CB 32.450 32.450 32.313 0.137 RESID 75 (K): H 8.165 8.165 8.519 -0.354 RESID 76 (A): N 122.983 122.983 120.680 2.303 RESID 76 (A): HA 4.127 4.127 4.148 -0.021 RESID 76 (A): C 180.654 180.654 178.514 2.140 RESID 76 (A): CA 54.723 54.723 54.793 -0.070 RESID 76 (A): CB 17.580 17.580 18.109 -0.529 RESID 76 (A): H 8.429 8.429 7.852 0.577 RESID 77 (A): N 124.931 124.931 119.953 4.978 RESID 77 (A): HA 3.765 3.765 4.250 -0.485 RESID 77 (A): C 178.922 178.922 179.517 -0.595 RESID 77 (A): CA 55.160 55.160 53.754 1.406 RESID 77 (A): CB 18.170 18.170 19.170 -1.000 RESID 77 (A): H 8.407 8.407 7.397 1.010 RESID 78 (L): N 121.008 121.008 119.191 1.817 RESID 78 (L): HA 4.180 4.180 3.675 0.505 RESID 78 (L): C 180.456 180.456 179.612 0.844 RESID 78 (L): CA 58.160 58.160 57.700 0.460 RESID 78 (L): CB 42.895 42.895 41.712 1.183 RESID 78 (L): H 8.412 8.412 8.530 -0.118 RESID 79 (A): N 121.505 121.505 121.997 -0.492 RESID 79 (A): HA 4.133 4.133 4.096 0.037 RESID 79 (A): C 180.329 180.329 178.708 1.621 RESID 79 (A): CA 54.697 54.697 54.877 -0.180 RESID 79 (A): CB 17.662 17.662 18.056 -0.394 RESID 79 (A): H 7.813 7.813 8.556 -0.743 RESID 80 (A): N 121.520 121.520 119.710 1.810 RESID 80 (A): HA 4.055 4.055 4.127 -0.072 RESID 80 (A): C 181.040 181.040 178.954 2.086 RESID 80 (A): CA 54.340 54.340 53.814 0.526 RESID 80 (A): CB 18.700 18.700 18.093 0.607 RESID 80 (A): H 8.278 8.278 7.992 0.286 RESID 81 (A): N 119.451 119.451 120.506 -1.055 RESID 81 (A): HA 4.179 4.179 4.225 -0.046 RESID 81 (A): C 178.308 178.308 178.219 0.089 RESID 81 (A): CA 53.950 53.950 54.534 -0.584 RESID 81 (A): CB 18.900 18.900 19.092 -0.192 RESID 81 (A): H 8.428 8.428 7.608 0.820 RESID 82 (A): N 119.868 119.868 118.329 1.539 RESID 82 (A): HA 4.018 4.018 4.412 -0.394 RESID 82 (A): C 178.696 178.696 178.664 0.032 RESID 82 (A): CA 54.290 54.290 52.120 2.170 RESID 82 (A): CB 18.200 18.200 20.284 -2.083 RESID 82 (A): H 7.860 7.860 7.636 0.224 RESID 83 (G): N 128.265 128.265 109.818 18.447 RESID 83 (G): C 174.104 174.104 174.171 -0.067 RESID 83 (G): CA 44.978 44.978 45.222 -0.244 RESID 83 (G): H 7.429 7.429 8.576 -1.147 RESID 84 (V): N 111.883 111.883 115.197 -3.314 RESID 84 (V): HA 4.801 4.801 4.533 0.268 RESID 84 (V): C 175.136 175.136 174.788 0.348 RESID 84 (V): CA 58.875 58.875 59.749 -0.874 RESID 84 (V): CB 34.417 34.417 33.578 0.839 RESID 84 (V): H 7.052 7.052 7.442 -0.390 RESID 85 (Q): N 119.223 119.223 119.759 -0.536 RESID 85 (Q): HA 4.410 4.410 4.755 -0.345 RESID 85 (Q): CA 54.350 54.350 53.534 0.816 RESID 85 (Q): CB 26.663 26.663 28.071 -1.408 RESID 85 (Q): H 8.687 8.687 8.357 0.330 RESID 86 (P): HA 4.345 4.345 4.179 0.166 RESID 86 (P): CA 62.130 62.130 64.088 -1.958 RESID 86 (P): CB 32.330 32.330 31.596 0.734 RESID 87 (A): N 118.968 118.968 126.114 -7.146 RESID 87 (A): HA 4.177 4.177 4.005 0.172 RESID 87 (A): C 177.901 177.901 178.665 -0.764 RESID 87 (A): CA 54.580 54.580 52.903 1.677 RESID 87 (A): CB 18.675 18.675 18.212 0.463 RESID 87 (A): H 8.949 8.949 8.567 0.382 RESID 88 (D): N 114.859 114.859 116.632 -1.773 RESID 88 (D): HA 5.032 5.032 4.401 0.631 RESID 88 (D): C 177.564 177.564 177.101 0.463 RESID 88 (D): CA 54.500 54.500 56.417 -1.917 RESID 88 (D): CB 43.027 43.027 39.994 3.033 RESID 88 (D): H 8.201 8.201 8.858 -0.657 RESID 89 (K): N 124.691 124.691 119.614 5.077 RESID 89 (K): HA 3.367 3.367 4.066 -0.699 RESID 89 (K): C 177.108 177.108 178.656 -1.548 RESID 89 (K): CA 62.300 62.300 59.075 3.225 RESID 89 (K): CB 32.541 32.541 32.311 0.230 RESID 89 (K): H 7.553 7.553 8.382 -0.829 RESID 90 (Y): N 119.522 119.522 121.658 -2.136 RESID 90 (Y): HA 4.226 4.226 4.819 -0.593 RESID 90 (Y): C 175.856 175.856 177.681 -1.825 RESID 90 (Y): CA 62.070 62.070 59.690 2.380 RESID 90 (Y): CB 37.336 37.336 38.425 -1.089 RESID 90 (Y): H 9.244 9.244 8.118 1.126 RESID 91 (R): N 118.233 118.233 119.226 -0.993 RESID 91 (R): HA 3.603 3.603 3.704 -0.101 RESID 91 (R): C 179.347 179.347 178.208 1.139 RESID 91 (R): CA 59.173 59.173 59.449 -0.276 RESID 91 (R): CB 29.209 29.209 30.157 -0.948 RESID 91 (R): H 8.973 8.973 8.425 0.548 RESID 92 (T): N 116.043 116.043 113.384 2.659 RESID 92 (T): HA 3.912 3.912 4.041 -0.129 RESID 92 (T): C 176.425 176.425 176.758 -0.333 RESID 92 (T): CA 67.061 67.061 65.657 1.404 RESID 92 (T): CB 68.762 68.762 68.537 0.225 RESID 92 (T): H 7.949 7.949 8.576 -0.627 RESID 93 (F): N 125.587 125.587 122.497 3.090 RESID 93 (F): HA 3.764 3.764 4.156 -0.392 RESID 93 (F): C 177.008 177.008 177.106 -0.098 RESID 93 (F): CA 62.783 62.783 61.887 0.896 RESID 93 (F): CB 39.771 39.771 38.871 0.900 RESID 93 (F): H 9.047 9.047 7.531 1.516 RESID 94 (V): N 118.057 118.057 118.385 -0.328 RESID 94 (V): HA 3.285 3.285 4.075 -0.790 RESID 94 (V): C 179.641 179.641 178.200 1.441 RESID 94 (V): CA 67.046 67.046 65.336 1.710 RESID 94 (V): CB 31.890 31.890 31.584 0.306 RESID 94 (V): H 8.540 8.540 7.460 1.080 RESID 95 (A): N 121.659 121.659 121.283 0.376 RESID 95 (A): HA 4.076 4.076 4.033 0.043 RESID 95 (A): C 180.431 180.431 179.894 0.537 RESID 95 (A): CA 55.002 55.002 55.340 -0.338 RESID 95 (A): CB 18.135 18.135 18.424 -0.289 RESID 95 (A): H 8.056 8.056 7.908 0.148 RESID 96 (T): N 115.396 115.396 115.347 0.049 RESID 96 (T): HA 4.197 4.197 4.133 0.064 RESID 96 (T): C 176.605 176.605 176.618 -0.013 RESID 96 (T): CA 68.450 68.450 65.799 2.651 RESID 96 (T): CB 66.738 66.738 68.825 -2.087 RESID 96 (T): H 7.904 7.904 8.157 -0.253 RESID 97 (F): N 123.502 123.502 122.655 0.847 RESID 97 (F): HA 3.628 3.628 4.065 -0.437 RESID 97 (F): C 177.130 177.130 176.787 0.343 RESID 97 (F): CA 61.883 61.883 60.498 1.385 RESID 97 (F): CB 39.300 39.300 38.467 0.833 RESID 97 (F): H 9.024 9.024 7.759 1.265 RESID 98 (G): N 107.348 107.348 107.142 0.206 RESID 98 (G): C 175.718 175.718 175.076 0.642 RESID 98 (G): CA 46.926 46.926 47.013 -0.087 RESID 98 (G): H 8.476 8.476 7.936 0.540 RESID 99 (A): N 122.344 122.344 123.976 -1.632 RESID 99 (A): HA 4.130 4.130 4.075 0.055 RESID 99 (A): C 180.299 180.299 179.136 1.163 RESID 99 (A): CA 54.856 54.856 54.547 0.309 RESID 99 (A): CB 17.755 17.755 18.187 -0.432 RESID 99 (A): H 7.404 7.404 7.718 -0.314 RESID 100 (A): N 121.274 121.274 120.844 0.430 RESID 100 (A): HA 4.207 4.207 3.837 0.370 RESID 100 (A): C 181.140 181.140 179.402 1.738 RESID 100 (A): CA 54.496 54.496 54.873 -0.377 RESID 100 (A): CB 17.543 17.543 17.944 -0.401 RESID 100 (A): H 9.009 9.009 7.326 1.683 RESID 101 (S): N 116.676 116.676 113.230 3.446 RESID 101 (S): HA 4.202 4.202 3.970 0.232 RESID 101 (S): C 176.687 176.687 176.503 0.184 RESID 101 (S): CA 68.500 68.500 61.446 7.054 RESID 101 (S): CB 67.022 67.022 62.770 4.252 RESID 101 (S): H 7.861 7.861 7.619 0.242 RESID 102 (N): HA 4.281 4.281 4.357 -0.076 RESID 102 (N): CA 55.960 55.960 55.797 0.163 RESID 102 (N): CB 37.701 37.701 38.396 -0.695 RESID 103 (K): N 120.130 120.130 120.698 -0.568 RESID 103 (K): HA 4.009 4.009 3.921 0.088 RESID 103 (K): C 177.809 177.809 178.526 -0.717 RESID 103 (K): CA 59.437 59.437 59.844 -0.407 RESID 103 (K): CB 32.638 32.638 32.476 0.162 RESID 103 (K): H 7.716 7.716 8.136 -0.420 RESID 104 (A): N 121.097 121.097 121.919 -0.822 RESID 104 (A): HA 3.994 3.994 4.043 -0.049 RESID 104 (A): C 180.119 180.119 179.508 0.611 RESID 104 (A): CA 54.666 54.666 55.298 -0.632 RESID 104 (A): CB 18.369 18.369 18.538 -0.169 RESID 104 (A): H 7.762 7.762 7.536 0.226 RESID 105 (F): N 116.920 116.920 118.379 -1.459 RESID 105 (F): HA 4.231 4.231 4.205 0.026 RESID 105 (F): C 177.950 177.950 177.499 0.451 RESID 105 (F): CA 59.775 59.775 60.731 -0.956 RESID 105 (F): CB 38.380 38.380 38.570 -0.190 RESID 105 (F): H 8.508 8.508 8.778 -0.270 RESID 106 (A): N 121.978 121.978 119.909 2.069 RESID 106 (A): HA 4.180 4.180 4.154 0.026 RESID 106 (A): CA 54.164 54.164 54.343 -0.179 RESID 106 (A): CB 18.482 18.482 18.682 -0.200 RESID 106 (A): H 7.885 7.885 8.652 -0.767 RESID 107 (E): N 118.006 118.006 119.303 -1.297 RESID 107 (E): HA 4.125 4.125 4.320 -0.195 RESID 107 (E): C 177.933 177.933 178.469 -0.536 RESID 107 (E): CA 57.663 57.663 56.675 0.987 RESID 107 (E): CB 30.205 30.205 29.947 0.258 RESID 107 (E): H 7.991 7.991 7.935 0.056 RESID 108 (G): N 108.097 108.097 108.087 0.010 RESID 108 (G): C 174.327 174.327 175.263 -0.936 RESID 108 (G): CA 45.675 45.675 45.678 -0.003 RESID 108 (G): H 8.106 8.106 8.113 -0.007 RESID 109 (L): N 121.291 121.291 119.219 2.072 RESID 109 (L): HA 4.338 4.338 3.925 0.413 RESID 109 (L): C 177.737 177.737 176.978 0.759 RESID 109 (L): CA 55.404 55.404 54.590 0.814 RESID 109 (L): CB 42.279 42.279 41.290 0.989 RESID 109 (L): H 7.965 7.965 8.297 -0.332 RESID 110 (S): N 115.953 115.953 116.361 -0.408 RESID 110 (S): HA 4.350 4.350 4.284 0.066 RESID 110 (S): C 175.049 175.049 174.851 0.198 RESID 110 (S): CA 58.898 58.898 59.847 -0.949 RESID 110 (S): CB 63.724 63.724 63.691 0.033 RESID 110 (S): H 8.243 8.243 8.256 -0.013 RESID 111 (G): N 110.568 110.568 109.056 1.512 RESID 111 (G): C 173.855 173.855 173.384 0.471 RESID 111 (G): CA 45.127 45.127 44.425 0.702 RESID 111 (G): H 8.392 8.392 7.723 0.669 RESID 112 (E): N 121.380 121.380 123.294 -1.914 RESID 112 (E): HA 4.538 4.538 4.076 0.462 RESID 112 (E): CA 54.191 54.191 56.434 -2.244 RESID 112 (E): CB 29.390 29.390 29.496 -0.106 RESID 112 (E): H 8.060 8.060 8.565 -0.505 RESID 113 (P): HA 4.349 4.349 4.287 0.062 RESID 113 (P): CA 63.375 63.375 64.571 -1.196 RESID 113 (P): CB 32.052 32.052 31.872 0.180 RESID 114 (K): N 121.571 121.571 118.930 2.641 RESID 114 (K): HA 4.246 4.246 4.084 0.162 RESID 114 (K): C 177.324 177.324 177.881 -0.557 RESID 114 (K): CA 56.277 56.277 57.639 -1.362 RESID 114 (K): CB 32.803 32.803 32.279 0.524 RESID 114 (K): H 8.536 8.536 7.664 0.872 RESID 115 (G): N 110.197 110.197 109.105 1.092 RESID 115 (G): C 174.102 174.102 173.300 0.802 RESID 115 (G): CA 45.232 45.232 45.157 0.075 RESID 115 (G): H 8.490 8.490 8.654 -0.164 RESID 116 (A): N 123.966 123.966 121.618 2.348 RESID 116 (A): HA 4.210 4.210 4.555 -0.345 RESID 116 (A): C 178.191 178.191 175.791 2.400 RESID 116 (A): CA 53.081 53.081 51.418 1.663 RESID 116 (A): CB 19.458 19.458 20.747 -1.289 RESID 116 (A): H 8.205 8.205 7.526 0.679 RESID 117 (A): N 122.628 122.628 123.537 -0.909 RESID 117 (A): HA 4.199 4.199 4.385 -0.186 RESID 117 (A): C 178.499 178.499 178.169 0.330 RESID 117 (A): CA 53.146 53.146 53.002 0.144 RESID 117 (A): CB 19.106 19.106 19.059 0.047 RESID 117 (A): H 8.429 8.429 8.587 -0.158 RESID 118 (E): N 119.797 119.797 116.108 3.689 RESID 118 (E): HA 4.199 4.199 4.258 -0.059 RESID 118 (E): C 177.223 177.223 176.212 1.011 RESID 118 (E): CA 57.387 57.387 57.245 0.142 RESID 118 (E): CB 30.168 30.168 29.880 0.288 RESID 118 (E): H 8.451 8.451 8.618 -0.167 RESID 119 (S): N 116.850 116.850 112.379 4.471 RESID 119 (S): HA 4.397 4.397 4.561 -0.164 RESID 119 (S): C 175.564 175.564 175.365 0.199 RESID 119 (S): CA 58.914 58.914 58.372 0.542 RESID 119 (S): CB 63.487 63.487 64.290 -0.803 RESID 119 (S): H 8.432 8.432 7.680 0.752 RESID 120 (S): N 118.812 118.812 116.924 1.888 RESID 120 (S): HA 4.330 4.330 4.270 0.060 RESID 120 (S): C 176.421 176.421 176.584 -0.163 RESID 120 (S): CA 59.906 59.906 61.010 -1.104 RESID 120 (S): CB 63.110 63.110 62.771 0.339 RESID 120 (S): H 8.559 8.559 7.876 0.683 RESID 121 (S): N 118.669 118.669 117.097 1.572 RESID 121 (S): HA 4.288 4.288 4.353 -0.065 RESID 121 (S): C 176.593 176.593 175.901 0.692 RESID 121 (S): CA 60.439 60.439 59.599 0.840 RESID 121 (S): CB 62.780 62.780 63.121 -0.341 RESID 121 (S): H 8.462 8.462 8.493 -0.031 RESID 122 (K): N 123.978 123.978 121.209 2.769 RESID 122 (K): HA 4.060 4.060 4.076 -0.016 RESID 122 (K): CA 59.263 59.263 59.149 0.114 RESID 122 (K): CB 32.296 32.296 32.241 0.055 RESID 122 (K): H 8.212 8.212 7.995 0.217 RESID 123 (A): N 123.450 123.450 120.597 2.853 RESID 123 (A): HA 4.136 4.136 4.103 0.033 RESID 123 (A): CA 54.330 54.330 54.824 -0.494 RESID 123 (A): CB 18.320 18.320 18.171 0.149 RESID 123 (A): H 8.209 8.209 7.391 0.818 RESID 124 (A): N 121.680 121.680 121.436 0.244 RESID 124 (A): HA 4.105 4.105 4.001 0.104 RESID 124 (A): CA 54.550 54.550 55.136 -0.586 RESID 124 (A): CB 18.260 18.260 17.939 0.321 RESID 124 (A): H 8.093 8.093 7.914 0.179 RESID 125 (L): N 120.426 120.426 119.051 1.375 RESID 125 (L): HA 4.072 4.072 4.096 -0.024 RESID 125 (L): C 178.680 178.680 178.751 -0.071 RESID 125 (L): CA 57.920 57.920 57.725 0.195 RESID 125 (L): CB 41.254 41.254 41.417 -0.163 RESID 125 (L): H 8.091 8.091 7.669 0.422 RESID 126 (T): N 112.939 112.939 112.967 -0.028 RESID 126 (T): HA 4.045 4.045 4.171 -0.126 RESID 126 (T): C 176.662 176.662 177.253 -0.591 RESID 126 (T): CA 68.000 68.000 66.567 1.433 RESID 126 (T): CB 66.703 66.703 68.169 -1.466 RESID 126 (T): H 8.439 8.439 7.621 0.818 RESID 127 (S): N 116.674 116.674 118.098 -1.424 RESID 127 (S): HA 4.230 4.230 4.192 0.038 RESID 127 (S): C 177.500 177.500 176.848 0.652 RESID 127 (S): CA 61.651 61.651 62.628 -0.977 RESID 127 (S): CB 62.770 62.770 62.856 -0.086 RESID 127 (S): H 7.830 7.830 8.551 -0.721 RESID 128 (K): N 122.748 122.748 122.099 0.649 RESID 128 (K): HA 4.178 4.178 4.197 -0.019 RESID 128 (K): C 180.027 180.027 179.312 0.715 RESID 128 (K): CA 59.720 59.720 58.679 1.041 RESID 128 (K): CB 32.811 32.811 32.336 0.476 RESID 128 (K): H 7.837 7.837 8.259 -0.422 RESID 129 (L): N 122.100 122.100 119.482 2.618 RESID 129 (L): HA 3.680 3.680 4.434 -0.754 RESID 129 (L): C 176.494 176.494 179.283 -2.789 RESID 129 (L): CA 57.837 57.837 56.802 1.035 RESID 129 (L): CB 41.142 41.142 41.215 -0.073 RESID 129 (L): H 8.389 8.389 8.279 0.110 RESID 130 (D): N 117.732 117.732 121.492 -3.760 RESID 130 (D): HA 4.104 4.104 4.552 -0.448 RESID 130 (D): C 178.771 178.771 178.127 0.644 RESID 130 (D): CA 57.828 57.828 57.550 0.278 RESID 130 (D): CB 41.591 41.591 41.328 0.263 RESID 130 (D): H 8.237 8.237 8.712 -0.475 RESID 131 (A): N 119.043 119.043 121.629 -2.586 RESID 131 (A): HA 4.031 4.031 4.170 -0.139 RESID 131 (A): C 180.501 180.501 179.694 0.807 RESID 131 (A): CA 55.080 55.080 55.298 -0.218 RESID 131 (A): CB 17.836 17.836 18.361 -0.525 RESID 131 (A): H 7.701 7.701 8.335 -0.634 RESID 132 (A): N 123.553 123.553 120.953 2.600 RESID 132 (A): HA 4.097 4.097 4.126 -0.029 RESID 132 (A): C 179.369 179.369 179.168 0.201 RESID 132 (A): CA 54.773 54.773 54.887 -0.114 RESID 132 (A): CB 18.260 18.260 18.248 0.012 RESID 132 (A): H 7.862 7.862 7.882 -0.020 RESID 133 (Y): N 119.392 119.392 120.497 -1.105 RESID 133 (Y): HA 4.127 4.127 4.105 0.022 RESID 133 (Y): C 180.484 180.484 177.878 2.606 RESID 133 (Y): CA 57.910 57.910 62.131 -4.221 RESID 133 (Y): CB 35.838 35.838 38.477 -2.639 RESID 133 (Y): H 8.847 8.847 7.767 1.080 RESID 134 (K): N 121.044 121.044 118.933 2.111 RESID 134 (K): HA 4.212 4.212 4.089 0.123 RESID 134 (K): C 178.998 178.998 178.951 0.047 RESID 134 (K): CA 59.861 59.861 58.250 1.611 RESID 134 (K): CB 32.553 32.553 32.350 0.203 RESID 134 (K): H 8.298 8.298 8.016 0.282 RESID 135 (L): N 122.293 122.293 120.683 1.610 RESID 135 (L): HA 4.201 4.201 4.069 0.132 RESID 135 (L): C 180.381 180.381 178.364 2.017 RESID 135 (L): CA 57.871 57.871 57.578 0.293 RESID 135 (L): CB 41.852 41.852 41.580 0.272 RESID 135 (L): H 8.207 8.207 8.509 -0.302 RESID 136 (A): N 124.897 124.897 121.319 3.578 RESID 136 (A): HA 3.736 3.736 4.069 -0.333 RESID 136 (A): C 178.374 178.374 179.416 -1.042 RESID 136 (A): CA 56.103 56.103 54.895 1.208 RESID 136 (A): CB 17.563 17.563 18.235 -0.672 RESID 136 (A): H 8.614 8.614 8.551 0.063 RESID 137 (Y): N 118.204 118.204 119.710 -1.506 RESID 137 (Y): HA 4.334 4.334 2.718 1.616 RESID 137 (Y): C 177.390 177.390 176.996 0.394 RESID 137 (Y): CA 62.357 62.357 60.404 1.953 RESID 137 (Y): CB 38.728 38.728 37.832 0.896 RESID 137 (Y): H 8.320 8.320 7.723 0.597 RESID 138 (K): N 119.255 119.255 118.694 0.561 RESID 138 (K): HA 3.897 3.897 3.598 0.299 RESID 138 (K): C 179.695 179.695 178.567 1.128 RESID 138 (K): CA 59.242 59.242 59.440 -0.198 RESID 138 (K): CB 32.309 32.309 32.123 0.186 RESID 138 (K): H 8.722 8.722 7.874 0.848 RESID 139 (T): N 116.244 116.244 115.114 1.130 RESID 139 (T): HA 4.120 4.120 3.904 0.216 RESID 139 (T): C 176.563 176.563 175.730 0.833 RESID 139 (T): CA 68.750 68.750 66.201 2.549 RESID 139 (T): CB 66.863 66.863 68.218 -1.355 RESID 139 (T): H 8.368 8.368 7.476 0.892 RESID 140 (A): N 124.310 124.310 122.781 1.529 RESID 140 (A): HA 3.884 3.884 4.002 -0.118 RESID 140 (A): C 179.123 179.123 177.660 1.463 RESID 140 (A): CA 54.887 54.887 54.561 0.326 RESID 140 (A): CB 19.489 19.489 17.917 1.572 RESID 140 (A): H 8.207 8.207 7.235 0.972 RESID 141 (E): N 117.572 117.572 115.779 1.793 RESID 141 (E): HA 3.696 3.696 3.975 -0.279 RESID 141 (E): C 177.623 177.623 177.396 0.227 RESID 141 (E): CA 58.472 58.472 57.319 1.153 RESID 141 (E): CB 29.633 29.633 29.233 0.400 RESID 141 (E): H 8.324 8.324 7.352 0.972 RESID 142 (G): N 103.520 103.520 108.024 -4.504 RESID 142 (G): C 173.480 173.480 174.660 -1.180 RESID 142 (G): CA 44.841 44.841 44.772 0.069 RESID 142 (G): H 7.333 7.333 7.098 0.235 RESID 143 (A): N 124.154 124.154 123.002 1.152 RESID 143 (A): HA 4.475 4.475 4.374 0.101 RESID 143 (A): C 177.290 177.290 176.710 0.580 RESID 143 (A): CA 50.615 50.615 51.965 -1.350 RESID 143 (A): CB 19.859 19.859 19.211 0.648 RESID 143 (A): H 7.339 7.339 8.048 -0.709 RESID 144 (T): N 112.353 112.353 116.380 -4.027 RESID 144 (T): HA 4.431 4.431 4.399 0.032 RESID 144 (T): C 174.105 174.105 173.407 0.698 RESID 144 (T): CA 60.634 60.634 60.704 -0.070 RESID 144 (T): CB 67.394 67.394 69.037 -1.643 RESID 144 (T): H 8.116 8.116 8.151 -0.035 RESID 145 (P): HA 3.914 3.914 4.311 -0.397 RESID 145 (P): C 179.300 179.300 176.307 2.993 RESID 145 (P): CA 66.875 66.875 63.655 3.220 RESID 145 (P): CB 32.327 32.327 32.099 0.228 RESID 146 (E): N 116.397 116.397 117.238 -0.841 RESID 146 (E): HA 4.178 4.178 3.985 0.193 RESID 146 (E): C 176.426 176.426 175.168 1.258 RESID 146 (E): CA 58.746 58.746 56.824 1.922 RESID 146 (E): CB 28.347 28.347 29.092 -0.745 RESID 146 (E): H 9.340 9.340 8.915 0.425 RESID 147 (A): N 123.484 123.484 117.888 5.596 RESID 147 (A): HA 4.678 4.678 4.429 0.249 RESID 147 (A): C 177.808 177.808 177.709 0.099 RESID 147 (A): CA 52.028 52.028 52.779 -0.751 RESID 147 (A): CB 20.943 20.943 19.716 1.227 RESID 147 (A): H 7.984 7.984 8.062 -0.078 RESID 148 (K): N 120.663 120.663 121.009 -0.346 RESID 148 (K): HA 3.465 3.465 4.026 -0.561 RESID 148 (K): C 177.165 177.165 177.538 -0.373 RESID 148 (K): CA 61.675 61.675 59.503 2.172 RESID 148 (K): CB 33.075 33.075 32.089 0.986 RESID 148 (K): H 7.285 7.285 7.986 -0.701 RESID 149 (Y): N 118.061 118.061 120.311 -2.250 RESID 149 (Y): HA 4.059 4.059 4.415 -0.356 RESID 149 (Y): C 175.368 175.368 177.456 -2.088 RESID 149 (Y): CA 62.206 62.206 61.618 0.588 RESID 149 (Y): CB 37.386 37.386 37.881 -0.495 RESID 149 (Y): H 8.793 8.793 8.211 0.582 RESID 150 (D): N 118.180 118.180 119.438 -1.258 RESID 150 (D): HA 3.820 3.820 4.362 -0.542 RESID 150 (D): C 178.927 178.927 178.335 0.592 RESID 150 (D): CA 57.373 57.373 57.898 -0.525 RESID 150 (D): CB 40.511 40.511 40.444 0.067 RESID 150 (D): H 8.442 8.442 8.623 -0.181 RESID 152 (Y): HA 3.803 3.803 4.180 -0.377 RESID 152 (Y): C 176.950 176.950 177.747 -0.797 RESID 152 (Y): CA 62.480 62.480 59.424 3.056 RESID 152 (Y): CB 39.180 39.180 38.092 1.088 RESID 153 (V): N 116.500 116.500 118.231 -1.731 RESID 153 (V): HA 2.980 2.980 3.115 -0.135 RESID 153 (V): C 178.920 178.920 178.308 0.612 RESID 153 (V): CA 66.800 66.800 65.925 0.875 RESID 153 (V): CB 31.730 31.730 30.976 0.754 RESID 153 (V): H 8.126 8.126 8.173 -0.047 RESID 154 (A): N 122.151 122.151 122.473 -0.322 RESID 154 (A): HA 3.981 3.981 3.929 0.052 RESID 154 (A): C 176.909 176.909 179.210 -2.301 RESID 154 (A): CA 55.037 55.037 55.179 -0.142 RESID 154 (A): CB 18.243 18.243 18.289 -0.046 RESID 154 (A): H 8.363 8.363 8.499 -0.136 RESID 155 (T): N 114.478 114.478 116.962 -2.484 RESID 155 (T): HA 3.807 3.807 3.916 -0.109 RESID 155 (T): C 176.582 176.582 176.409 0.173 RESID 155 (T): CA 66.731 66.731 66.733 -0.002 RESID 155 (T): CB 68.550 68.550 68.662 -0.112 RESID 155 (T): H 7.590 7.590 7.857 -0.267 RESID 156 (L): N 122.590 122.590 119.495 3.095 RESID 156 (L): HA 3.873 3.873 4.125 -0.252 RESID 156 (L): CA 57.829 57.829 57.737 0.092 RESID 156 (L): CB 42.149 42.149 41.564 0.585 RESID 156 (L): H 8.449 8.449 7.817 0.632 RESID 157 (S): N 112.486 112.486 115.742 -3.256 RESID 157 (S): HA 3.873 3.873 4.147 -0.274 RESID 157 (S): C 177.485 177.485 176.406 1.079 RESID 157 (S): CA 62.556 62.556 61.444 1.112 RESID 157 (S): CB 61.390 61.390 62.749 -1.359 RESID 157 (S): H 8.705 8.705 8.009 0.696 RESID 158 (E): N 121.019 121.019 121.648 -0.629 RESID 158 (E): HA 4.124 4.124 4.047 0.077 RESID 158 (E): C 177.558 177.558 178.742 -1.184 RESID 158 (E): CA 58.615 58.615 58.852 -0.237 RESID 158 (E): CB 29.232 29.232 29.085 0.147 RESID 158 (E): H 7.408 7.408 7.910 -0.502 RESID 159 (A): N 120.731 120.731 122.520 -1.789 RESID 159 (A): HA 4.121 4.121 4.163 -0.042 RESID 159 (A): C 181.006 181.006 179.767 1.239 RESID 159 (A): CA 55.181 55.181 54.866 0.315 RESID 159 (A): CB 18.546 18.546 18.441 0.105 RESID 159 (A): H 7.803 7.803 8.118 -0.315 RESID 160 (L): N 116.637 116.637 119.518 -2.881 RESID 160 (L): HA 3.901 3.901 4.134 -0.233 RESID 160 (L): C 179.216 179.216 178.778 0.438 RESID 160 (L): CA 57.843 57.843 57.375 0.468 RESID 160 (L): CB 41.050 41.050 41.881 -0.831 RESID 160 (L): H 8.670 8.670 7.895 0.775 RESID 161 (R): N 121.986 121.986 118.926 3.060 RESID 161 (R): HA 3.908 3.908 4.013 -0.105 RESID 161 (R): C 179.790 179.790 178.906 0.884 RESID 161 (R): CA 59.657 59.657 59.604 0.053 RESID 161 (R): CB 29.935 29.935 30.160 -0.225 RESID 161 (R): H 7.914 7.914 8.366 -0.452 RESID 162 (I): N 120.810 120.810 121.226 -0.416 RESID 162 (I): HA 3.683 3.683 3.800 -0.117 RESID 162 (I): C 179.685 179.685 177.338 2.347 RESID 162 (I): CA 64.321 64.321 64.435 -0.114 RESID 162 (I): CB 37.832 37.832 37.969 -0.137 RESID 162 (I): H 7.895 7.895 8.362 -0.467 RESID 163 (I): HA 3.560 3.560 3.727 -0.167 RESID 163 (I): CA 65.367 65.367 65.062 0.305 RESID 163 (I): CB 38.510 38.510 37.755 0.755 RESID 164 (A): N 121.450 121.450 121.574 -0.124 RESID 164 (A): HA 3.938 3.938 4.033 -0.095 RESID 164 (A): C 179.920 179.920 179.434 0.486 RESID 164 (A): CA 55.090 55.090 54.609 0.481 RESID 164 (A): CB 18.170 18.170 18.460 -0.290 RESID 164 (A): H 8.525 8.525 7.620 0.905 RESID 165 (G): N 104.876 104.876 107.046 -2.170 RESID 165 (G): C 175.831 175.831 176.276 -0.445 RESID 165 (G): CA 46.602 46.602 46.130 0.472 RESID 165 (G): H 7.921 7.921 8.140 -0.219 RESID 166 (T): N 111.734 111.734 116.344 -4.610 RESID 166 (T): HA 4.306 4.306 4.094 0.212 RESID 166 (T): C 175.095 175.095 176.850 -1.755 RESID 166 (T): CA 63.000 63.000 64.986 -1.986 RESID 166 (T): CB 69.795 69.795 69.090 0.705 RESID 166 (T): H 7.786 7.786 7.898 -0.112 RESID 167 (L): N 121.291 121.291 122.468 -1.177 RESID 167 (L): HA 4.262 4.262 4.249 0.013 RESID 167 (L): C 177.004 177.004 175.571 1.433 RESID 167 (L): CA 55.040 55.040 55.222 -0.182 RESID 167 (L): CB 42.292 42.292 40.339 1.953 RESID 167 (L): H 7.456 7.456 8.090 -0.634 RESID 168 (E): N 119.686 119.686 119.597 0.089 RESID 168 (E): HA 4.151 4.151 4.416 -0.265 RESID 168 (E): C 176.001 176.001 176.328 -0.327 RESID 168 (E): CA 56.210 56.210 56.207 0.003 RESID 168 (E): CB 30.242 30.242 30.361 -0.119 RESID 168 (E): H 7.840 7.840 8.334 -0.494 RESID 169 (V): N 120.922 120.922 117.868 3.054 RESID 169 (V): HA 3.979 3.979 3.845 0.134 RESID 169 (V): C 175.876 175.876 175.293 0.583 RESID 169 (V): CA 56.270 56.270 63.758 -7.488 RESID 169 (V): H 8.060 8.060 8.017 0.043 RESID 170 (H): N 122.829 122.829 117.661 5.168 RESID 170 (H): HA 4.626 4.626 4.866 -0.240 RESID 170 (H): C 174.023 174.023 174.403 -0.380 RESID 170 (H): CA 55.025 55.025 55.620 -0.595 RESID 170 (H): CB 29.661 29.661 31.618 -1.957 RESID 170 (H): H 8.560 8.560 7.775 0.785 RESID 171 (A): N 125.857 125.857 125.506 0.351 RESID 171 (A): HA 4.206 4.206 4.332 -0.126 RESID 171 (A): C 177.398 177.398 177.754 -0.356 RESID 171 (A): CA 52.300 52.300 52.678 -0.378 RESID 171 (A): CB 18.300 18.300 19.586 -1.286 RESID 171 (A): H 8.393 8.393 8.457 -0.064 RESID 172 (V): N 120.329 120.329 121.478 -1.149 RESID 172 (V): HA 4.011 4.011 4.046 -0.035 RESID 172 (V): C 175.833 175.833 175.694 0.139 RESID 172 (V): CA 61.923 61.923 62.643 -0.720 RESID 172 (V): CB 32.550 32.550 31.748 0.802 RESID 172 (V): H 8.238 8.238 7.770 0.468 RESID 173 (K): N 127.029 127.029 128.547 -1.518 RESID 173 (K): C 174.205 174.205 175.012 -0.807 RESID 173 (K): CA 54.059 54.059 54.373 -0.314 RESID 173 (K): CB 32.437 32.437 31.323 1.114 RESID 173 (K): H 8.442 8.442 8.305 0.137 RESID 174 (P): HA 4.322 4.322 4.350 -0.028 RESID 174 (P): CA 63.140 63.140 63.613 -0.473 RESID 174 (P): CB 32.320 32.320 32.056 0.264 RESID 175 (A): N 125.330 125.330 125.903 -0.573 RESID 175 (A): HA 4.189 4.189 4.253 -0.064 RESID 175 (A): C 178.296 178.296 176.998 1.298 RESID 175 (A): CA 53.043 53.043 52.150 0.893 RESID 175 (A): CB 19.376 19.376 19.037 0.339 RESID 175 (A): H 8.430 8.430 8.190 0.240 RESID 176 (A): N 123.143 123.143 121.904 1.239 RESID 176 (A): HA 4.204 4.204 3.988 0.216 RESID 176 (A): C 177.718 177.718 177.965 -0.247 RESID 176 (A): CA 52.432 52.432 53.629 -1.197 RESID 176 (A): CB 19.500 19.500 17.984 1.516 RESID 176 (A): H 8.326 8.326 7.948 0.378 RESID 177 (E): N 119.752 119.752 124.932 -5.180 RESID 177 (E): HA 4.142 4.142 4.389 -0.247 RESID 177 (E): C 176.350 176.350 176.370 -0.020 RESID 177 (E): CA 56.302 56.302 55.559 0.743 RESID 177 (E): CB 30.333 30.333 30.428 -0.095 RESID 177 (E): H 8.354 8.354 8.507 -0.153 RESID 178 (E): N 122.557 122.557 123.418 -0.861 RESID 178 (E): HA 4.193 4.193 4.180 0.013 RESID 178 (E): C 176.260 176.260 176.381 -0.121 RESID 178 (E): CA 56.307 56.307 55.865 0.442 RESID 178 (E): CB 30.542 30.542 30.097 0.445 RESID 178 (E): H 8.395 8.395 8.528 -0.133 RESID 179 (V): N 122.787 122.787 121.873 0.914 RESID 179 (V): HA 3.983 3.983 3.941 0.042 RESID 179 (V): C 175.871 175.871 176.226 -0.355 RESID 179 (V): CA 62.225 62.225 62.690 -0.465 RESID 179 (V): CB 32.459 32.459 31.787 0.672 RESID 179 (V): H 8.232 8.232 8.372 -0.140 RESID 180 (K): N 126.356 126.356 127.738 -1.382 RESID 180 (K): HA 4.315 4.315 4.321 -0.006 RESID 180 (K): C 176.090 176.090 176.809 -0.719 RESID 180 (K): CA 55.880 55.880 55.812 0.068 RESID 180 (K): CB 33.000 33.000 33.096 -0.096 RESID 180 (K): H 8.427 8.427 8.467 -0.040 RESID 181 (V): N 122.752 122.752 119.685 3.067 RESID 181 (V): HA 4.043 4.043 4.239 -0.196 RESID 181 (V): C 175.754 175.754 175.622 0.132 RESID 181 (V): CA 61.803 61.803 62.816 -1.012 RESID 181 (V): CB 33.155 33.155 31.004 2.151 RESID 181 (V): H 8.244 8.244 8.520 -0.276 RESID 182 (I): N 127.826 127.826 127.894 -0.068 RESID 182 (I): C 174.257 174.257 174.233 0.024 RESID 182 (I): CA 58.244 58.244 58.192 0.052 RESID 182 (I): CB 38.555 38.555 39.388 -0.833 RESID 182 (I): H 8.388 8.388 7.758 0.630 RESID 183 (P): HA 4.330 4.330 4.286 0.044 RESID 183 (P): C 176.700 176.700 176.684 0.016 RESID 183 (P): CA 63.230 63.230 63.604 -0.374 RESID 183 (P): CB 32.380 32.380 31.950 0.431 RESID 184 (A): N 124.690 124.690 120.544 4.146 RESID 184 (A): HA 4.193 4.193 4.223 -0.030 RESID 184 (A): C 178.758 178.758 177.182 1.576 RESID 184 (A): CA 53.320 53.320 52.387 0.933 RESID 184 (A): CB 19.340 19.340 19.513 -0.173 RESID 184 (A): H 8.485 8.485 7.581 0.904 RESID 185 (G): N 107.324 107.324 109.476 -2.152 RESID 185 (G): C 174.758 174.758 173.878 0.880 RESID 185 (G): CA 45.717 45.717 45.170 0.547 RESID 185 (G): H 8.527 8.527 8.283 0.244 RESID 186 (E): N 120.410 120.410 123.157 -2.747 RESID 186 (E): HA 4.170 4.170 3.909 0.261 RESID 186 (E): C 177.470 177.470 176.617 0.853 RESID 186 (E): CA 57.890 57.890 58.151 -0.261 RESID 186 (E): CB 30.180 30.180 28.645 1.535 RESID 186 (E): H 8.262 8.262 8.758 -0.496 RESID 187 (L): N 121.652 121.652 120.117 1.535 RESID 187 (L): HA 4.140 4.140 4.214 -0.074 RESID 187 (L): C 178.002 178.002 178.927 -0.925 RESID 187 (L): CA 56.458 56.458 56.792 -0.334 RESID 187 (L): CB 42.056 42.056 41.769 0.287 RESID 187 (L): H 8.247 8.247 8.137 0.110 RESID 188 (Q): N 119.063 119.063 120.217 -1.154 RESID 188 (Q): HA 4.205 4.205 4.022 0.183 RESID 188 (Q): C 177.544 177.544 177.859 -0.315 RESID 188 (Q): CA 57.584 57.584 59.068 -1.484 RESID 188 (Q): CB 28.421 28.421 28.337 0.084 RESID 188 (Q): H 8.377 8.377 8.642 -0.265 RESID 189 (V): N 118.808 118.808 120.518 -1.710 RESID 189 (V): HA 3.680 3.680 3.741 -0.061 RESID 189 (V): C 177.439 177.439 177.242 0.197 RESID 189 (V): CA 65.376 65.376 64.730 0.646 RESID 189 (V): CB 31.970 31.970 31.244 0.727 RESID 189 (V): H 7.872 7.872 7.615 0.257 RESID 190 (I): N 120.522 120.522 119.980 0.542 RESID 190 (I): HA 3.694 3.694 3.752 -0.058 RESID 190 (I): C 177.364 177.364 176.839 0.525 RESID 190 (I): CA 63.323 63.323 63.303 0.020 RESID 190 (I): CB 36.643 36.643 37.817 -1.174 RESID 190 (I): H 8.119 8.119 7.516 0.603 RESID 191 (E): N 120.185 120.185 120.514 -0.329 RESID 191 (E): HA 4.141 4.141 4.000 0.141 RESID 191 (E): C 179.310 179.310 179.238 0.072 RESID 191 (E): CA 59.756 59.756 59.381 0.375 RESID 191 (E): CB 29.276 29.276 28.763 0.513 RESID 191 (E): H 8.175 8.175 8.316 -0.141 RESID 192 (K): N 118.771 118.771 119.849 -1.078 RESID 192 (K): HA 4.211 4.211 4.058 0.153 RESID 192 (K): C 178.933 178.933 179.093 -0.160 RESID 192 (K): CA 58.020 58.020 59.014 -0.994 RESID 192 (K): CB 31.710 31.710 32.088 -0.378 RESID 192 (K): H 7.720 7.720 7.860 -0.140 RESID 193 (V): N 121.979 121.979 118.396 3.583 RESID 193 (V): HA 3.537 3.537 3.697 -0.160 RESID 193 (V): C 176.912 176.912 177.722 -0.810 RESID 193 (V): CA 66.974 66.974 66.918 0.056 RESID 193 (V): CB 31.451 31.451 31.161 0.290 RESID 193 (V): H 8.336 8.336 7.646 0.690 RESID 194 (D): N 121.596 121.596 120.303 1.293 RESID 194 (D): HA 4.396 4.396 4.470 -0.074 RESID 194 (D): C 178.097 178.097 178.428 -0.331 RESID 194 (D): CA 57.899 57.899 57.462 0.437 RESID 194 (D): CB 41.740 41.740 40.107 1.633 RESID 194 (D): H 8.588 8.588 7.950 0.638 RESID 195 (A): N 119.998 119.998 120.640 -0.642 RESID 195 (A): HA 4.101 4.101 4.384 -0.283 RESID 195 (A): C 180.638 180.638 179.227 1.411 RESID 195 (A): CA 55.393 55.393 54.286 1.107 RESID 195 (A): CB 17.915 17.915 18.410 -0.495 RESID 195 (A): H 7.834 7.834 7.481 0.353 RESID 196 (A): N 121.520 121.520 121.695 -0.175 RESID 196 (A): HA 4.043 4.043 4.385 -0.342 RESID 196 (A): C 178.986 178.986 178.840 0.146 RESID 196 (A): CA 54.730 54.730 54.069 0.661 RESID 196 (A): CB 19.220 19.220 18.638 0.582 RESID 196 (A): H 8.198 8.198 7.888 0.310 RESID 197 (F): N 120.035 120.035 119.195 0.840 RESID 197 (F): HA 3.861 3.861 4.425 -0.564 RESID 197 (F): C 176.055 176.055 177.105 -1.050 RESID 197 (F): CA 61.833 61.833 61.445 0.388 RESID 197 (F): CB 39.090 39.090 39.862 -0.772 RESID 197 (F): H 9.092 9.092 8.366 0.726 RESID 198 (K): N 118.265 118.265 119.675 -1.410 RESID 198 (K): HA 3.815 3.815 3.955 -0.140 RESID 198 (K): C 180.112 180.112 178.394 1.718 RESID 198 (K): CA 59.826 59.826 60.320 -0.494 RESID 198 (K): CB 32.347 32.347 32.381 -0.034 RESID 198 (K): H 7.863 7.863 7.708 0.155 RESID 199 (V): N 119.799 119.799 117.940 1.859 RESID 199 (V): HA 3.623 3.623 3.701 -0.078 RESID 199 (V): C 178.666 178.666 177.514 1.152 RESID 199 (V): CA 66.074 66.074 65.238 0.836 RESID 199 (V): CB 31.831 31.831 31.505 0.326 RESID 199 (V): H 7.580 7.580 7.927 -0.347 RESID 200 (A): N 125.339 125.339 121.582 3.757 RESID 200 (A): HA 3.635 3.635 4.140 -0.505 RESID 200 (A): C 178.388 178.388 178.758 -0.370 RESID 200 (A): CA 54.843 54.843 54.516 0.327 RESID 200 (A): CB 18.830 18.830 18.203 0.627 RESID 200 (A): H 8.166 8.166 7.576 0.590 RESID 201 (A): N 120.805 120.805 121.387 -0.582 RESID 201 (A): HA 4.000 4.000 4.087 -0.087 RESID 201 (A): C 180.740 180.740 179.738 1.002 RESID 201 (A): CA 54.550 54.550 55.102 -0.552 RESID 201 (A): CB 18.124 18.124 18.082 0.042 RESID 201 (A): H 7.386 7.386 7.441 -0.055 RESID 202 (T): N 114.816 114.816 113.492 1.324 RESID 202 (T): HA 4.200 4.200 4.097 0.103 RESID 202 (T): C 175.840 175.840 176.099 -0.259 RESID 202 (T): CA 60.920 60.920 65.147 -4.227 RESID 202 (T): CB 62.070 62.070 68.780 -6.710 RESID 202 (T): H 8.322 8.322 8.148 0.174 RESID 203 (A): N 124.550 124.550 122.731 1.819 RESID 203 (A): HA 3.989 3.989 4.161 -0.172 RESID 203 (A): C 180.575 180.575 178.404 2.171 RESID 203 (A): CA 55.042 55.042 54.214 0.828 RESID 203 (A): CB 17.675 17.675 18.257 -0.582 RESID 203 (A): H 7.592 7.592 7.708 -0.116 RESID 204 (A): N 121.361 121.361 119.466 1.895 RESID 204 (A): HA 4.187 4.187 4.138 0.049 RESID 204 (A): C 179.867 179.867 178.564 1.303 RESID 204 (A): CA 55.224 55.224 53.342 1.882 RESID 204 (A): CB 18.791 18.791 19.350 -0.559 RESID 204 (A): H 8.758 8.758 7.598 1.160 RESID 205 (N): N 115.185 115.185 118.845 -3.660 RESID 205 (N): HA 4.189 4.189 4.319 -0.130 RESID 205 (N): C 175.555 175.555 176.539 -0.984 RESID 205 (N): CA 56.410 56.410 55.148 1.262 RESID 205 (N): CB 39.066 39.066 38.035 1.031 RESID 205 (N): H 8.220 8.220 8.133 0.087 RESID 206 (A): N 117.946 117.946 119.855 -1.909 RESID 206 (A): HA 4.270 4.270 4.156 0.114 RESID 206 (A): C 176.827 176.827 176.855 -0.028 RESID 206 (A): CA 56.138 56.138 53.045 3.093 RESID 206 (A): CB 18.200 18.200 18.904 -0.704 RESID 206 (A): H 6.965 6.965 7.411 -0.446 RESID 207 (A): N 122.916 122.916 120.920 1.996 RESID 207 (A): HA 4.600 4.600 4.750 -0.150 RESID 207 (A): C 174.478 174.478 174.560 -0.082 RESID 207 (A): CA 50.196 50.196 49.177 1.019 RESID 207 (A): CB 18.287 18.287 19.581 -1.294 RESID 207 (A): H 7.240 7.240 7.376 -0.136 RESID 208 (P): HA 4.373 4.373 4.342 0.031 RESID 208 (P): C 177.440 177.440 176.839 0.601 RESID 208 (P): CA 62.600 62.600 62.421 0.179 RESID 208 (P): CB 32.243 32.243 32.416 -0.173 RESID 209 (A): N 122.883 122.883 121.284 1.599 RESID 209 (A): HA 3.726 3.726 3.630 0.096 RESID 209 (A): C 179.474 179.474 177.559 1.915 RESID 209 (A): CA 56.155 56.155 54.451 1.704 RESID 209 (A): CB 19.099 19.099 18.038 1.061 RESID 209 (A): H 8.620 8.620 8.261 0.359 RESID 210 (N): N 113.093 113.093 118.371 -5.278 RESID 210 (N): HA 4.519 4.519 4.635 -0.116 RESID 210 (N): C 176.000 176.000 175.434 0.566 RESID 210 (N): CA 55.226 55.226 53.914 1.312 RESID 210 (N): CB 38.057 38.057 38.209 -0.152 RESID 210 (N): H 8.933 8.933 8.198 0.735 RESID 211 (D): N 117.648 117.648 115.348 2.300 RESID 211 (D): HA 5.050 5.050 4.285 0.765 RESID 211 (D): C 175.953 175.953 174.859 1.094 RESID 211 (D): CA 54.110 54.110 55.641 -1.531 RESID 211 (D): CB 42.936 42.936 39.369 3.567 RESID 211 (D): H 8.111 8.111 8.900 -0.789 RESID 212 (K): N 118.713 118.713 115.652 3.061 RESID 212 (K): HA 3.324 3.324 4.248 -0.924 RESID 212 (K): C 177.524 177.524 177.094 0.430 RESID 212 (K): CA 61.984 61.984 56.772 5.212 RESID 212 (K): CB 32.789 32.789 33.108 -0.319 RESID 212 (K): H 7.145 7.145 8.033 -0.888 RESID 213 (F): N 113.700 113.700 117.834 -4.134 RESID 213 (F): HA 4.087 4.087 4.117 -0.030 RESID 213 (F): C 178.141 178.141 177.743 0.398 RESID 213 (F): CA 62.473 62.473 62.502 -0.028 RESID 213 (F): CB 38.303 38.303 38.466 -0.163 RESID 213 (F): H 8.026 8.026 8.645 -0.619 RESID 214 (T): N 115.378 115.378 113.624 1.754 RESID 214 (T): C 178.124 178.124 176.577 1.547 RESID 214 (T): CA 65.503 65.503 65.317 0.186 RESID 214 (T): CB 68.803 68.803 67.983 0.820 RESID 214 (T): H 7.917 7.917 8.251 -0.334 RESID 215 (V): N 122.692 122.692 121.027 1.665 RESID 215 (V): HA 3.659 3.659 3.666 -0.007 RESID 215 (V): C 177.771 177.771 177.373 0.398 RESID 215 (V): CA 66.361 66.361 65.796 0.565 RESID 215 (V): CB 31.360 31.360 31.371 -0.011 RESID 215 (V): H 8.430 8.430 7.714 0.716 RESID 216 (F): N 119.847 119.847 121.965 -2.118 RESID 216 (F): HA 3.799 3.799 4.064 -0.265 RESID 216 (F): C 176.989 176.989 177.262 -0.273 RESID 216 (F): CA 62.705 62.705 62.005 0.700 RESID 216 (F): CB 39.327 39.327 39.006 0.321 RESID 216 (F): H 8.651 8.651 7.545 1.106 RESID 217 (E): N 117.144 117.144 118.433 -1.289 RESID 217 (E): HA 3.863 3.863 4.039 -0.176 RESID 217 (E): C 177.894 177.894 179.041 -1.147 RESID 217 (E): CA 61.877 61.877 59.211 2.666 RESID 217 (E): CB 30.062 30.062 29.354 0.708 RESID 217 (E): H 8.650 8.650 9.056 -0.406 RESID 218 (A): N 119.130 119.130 122.812 -3.682 RESID 218 (A): HA 4.213 4.213 4.195 0.018 RESID 218 (A): C 180.238 180.238 179.118 1.120 RESID 218 (A): CA 55.118 55.118 54.859 0.259 RESID 218 (A): CB 18.020 18.020 18.520 -0.500 RESID 218 (A): H 7.759 7.759 7.582 0.177 RESID 219 (A): N 119.419 119.419 121.488 -2.069 RESID 219 (A): HA 4.146 4.146 4.091 0.055 RESID 219 (A): C 180.499 180.499 179.546 0.953 RESID 219 (A): CA 54.530 54.530 54.603 -0.073 RESID 219 (A): CB 18.890 18.890 18.462 0.428 RESID 219 (A): H 8.475 8.475 8.349 0.126 RESID 220 (F): N 120.754 120.754 118.657 2.097 RESID 220 (F): HA 4.196 4.196 3.862 0.334 RESID 220 (F): C 177.427 177.427 176.995 0.432 RESID 220 (F): CA 58.832 58.832 61.788 -2.956 RESID 220 (F): CB 39.740 39.740 38.369 1.371 RESID 220 (F): H 9.026 9.026 8.557 0.469 RESID 221 (N): N 116.941 116.941 116.037 0.904 RESID 221 (N): HA 4.390 4.390 4.570 -0.180 RESID 221 (N): CA 56.230 56.230 55.661 0.569 RESID 221 (N): CB 37.995 37.995 38.140 -0.145 RESID 221 (N): H 8.485 8.485 7.754 0.731 RESID 222 (D): N 119.493 119.493 121.347 -1.854 RESID 222 (D): HA 4.366 4.366 4.603 -0.237 RESID 222 (D): C 178.832 178.832 178.185 0.647 RESID 222 (D): CA 57.697 57.697 56.862 0.834 RESID 222 (D): CB 40.537 40.537 40.423 0.114 RESID 222 (D): H 8.283 8.283 8.088 0.195 RESID 223 (A): N 122.201 122.201 122.326 -0.125 RESID 223 (A): HA 4.138 4.138 4.065 0.073 RESID 223 (A): CA 54.892 54.892 54.686 0.206 RESID 223 (A): CB 18.251 18.251 18.257 -0.006 RESID 223 (A): H 8.175 8.175 8.369 -0.194 RESID 224 (I): N 122.960 122.960 116.473 6.487 RESID 224 (I): HA 3.396 3.396 3.931 -0.535 RESID 224 (I): C 178.030 178.030 177.729 0.301 RESID 224 (I): CA 65.320 65.320 63.578 1.742 RESID 224 (I): CB 38.150 38.150 38.534 -0.384 RESID 224 (I): H 8.525 8.525 7.248 1.277 RESID 225 (K): N 124.150 124.150 121.344 2.806 RESID 225 (K): HA 4.130 4.130 3.946 0.184 RESID 225 (K): C 179.190 179.190 178.785 0.405 RESID 225 (K): CA 58.594 58.594 59.474 -0.880 RESID 225 (K): CB 32.489 32.489 32.530 -0.041 RESID 225 (K): H 8.457 8.457 7.783 0.674 RESID 226 (A): N 119.804 119.804 119.954 -0.150 RESID 226 (A): HA 4.128 4.128 4.081 0.047 RESID 226 (A): C 181.843 181.843 180.276 1.567 RESID 226 (A): CA 55.012 55.012 55.018 -0.006 RESID 226 (A): CB 18.473 18.473 18.124 0.349 RESID 226 (A): H 8.191 8.191 8.497 -0.306 RESID 227 (S): N 113.402 113.402 114.288 -0.886 RESID 227 (S): HA 4.350 4.350 4.256 0.094 RESID 227 (S): C 176.071 176.071 175.953 0.118 RESID 227 (S): CA 61.259 61.259 60.658 0.601 RESID 227 (S): CB 63.414 63.414 63.498 -0.084 RESID 227 (S): H 8.568 8.568 7.806 0.762 RESID 228 (T): N 109.170 109.170 112.743 -3.573 RESID 228 (T): HA 4.605 4.605 4.540 0.065 RESID 228 (T): CA 61.453 61.453 60.124 1.329 RESID 228 (T): CB 69.732 69.732 69.134 0.598 RESID 228 (T): H 7.804 7.804 8.050 -0.246 RESID 229 (G): N 113.451 113.451 110.198 3.253 RESID 229 (G): C 178.132 178.132 175.138 2.994 RESID 229 (G): CA 47.149 47.149 46.108 1.041 RESID 229 (G): H 7.988 7.988 7.864 0.124 RESID 230 (G): N 105.298 105.298 107.864 -2.566 RESID 230 (G): C 173.856 173.856 173.121 0.735 RESID 230 (G): CA 44.492 44.492 44.072 0.420 RESID 230 (G): H 8.792 8.792 8.222 0.570 RESID 231 (A): N 122.893 122.893 126.387 -3.494 RESID 231 (A): HA 3.777 3.777 4.190 -0.413 RESID 231 (A): C 177.041 177.041 176.661 0.380 RESID 231 (A): CA 54.513 54.513 52.309 2.204 RESID 231 (A): CB 18.998 18.998 19.300 -0.302 RESID 231 (A): H 7.467 7.467 7.490 -0.023 RESID 232 (Y): N 112.629 112.629 121.172 -8.543 RESID 232 (Y): HA 4.396 4.396 4.670 -0.274 RESID 232 (Y): C 174.659 174.659 174.768 -0.109 RESID 232 (Y): CA 55.932 55.932 55.998 -0.066 RESID 232 (Y): CB 39.848 39.848 37.322 2.526 RESID 232 (Y): H 7.332 7.332 8.404 -1.072 RESID 233 (E): N 117.684 117.684 122.160 -4.476 RESID 233 (E): HA 3.790 3.790 4.061 -0.271 RESID 233 (E): C 174.348 174.348 176.715 -2.367 RESID 233 (E): CA 57.064 57.064 57.040 0.024 RESID 233 (E): CB 30.734 30.734 30.178 0.556 RESID 233 (E): H 7.995 7.995 7.832 0.163 RESID 234 (S): N 107.099 107.099 117.487 -10.388 RESID 234 (S): HA 4.495 4.495 4.136 0.359 RESID 234 (S): C 175.141 175.141 173.600 1.541 RESID 234 (S): CA 55.872 55.872 59.367 -3.495 RESID 234 (S): CB 64.988 64.988 63.306 1.682 RESID 234 (S): H 7.318 7.318 8.732 -1.414 RESID 235 (Y): N 119.162 119.162 118.409 0.753 RESID 235 (Y): HA 4.093 4.093 4.736 -0.643 RESID 235 (Y): C 175.305 175.305 174.455 0.850 RESID 235 (Y): CA 59.694 59.694 57.726 1.968 RESID 235 (Y): CB 37.650 37.650 37.200 0.450 RESID 235 (Y): H 8.629 8.629 8.550 0.079 RESID 236 (K): N 118.163 118.163 122.000 -3.837 RESID 236 (K): HA 3.573 3.573 4.558 -0.985 RESID 236 (K): C 176.427 176.427 175.871 0.556 RESID 236 (K): CA 58.000 58.000 56.120 1.881 RESID 236 (K): CB 31.520 31.520 35.787 -4.267 RESID 236 (K): H 7.384 7.384 8.152 -0.768 RESID 237 (F): N 115.377 115.377 119.690 -4.313 RESID 237 (F): HA 4.433 4.433 4.162 0.271 RESID 237 (F): C 174.114 174.114 176.016 -1.902 RESID 237 (F): CA 57.852 57.852 57.376 0.476 RESID 237 (F): CB 39.745 39.745 38.752 0.993 RESID 237 (F): H 7.258 7.258 8.216 -0.958 RESID 238 (I): N 120.764 120.764 120.397 0.367 RESID 238 (I): HA 4.409 4.409 3.725 0.684 RESID 238 (I): CA 58.300 58.300 60.483 -2.183 RESID 238 (I): CB 38.600 38.600 36.255 2.345 RESID 238 (I): H 7.389 7.389 8.631 -1.242 RESID 239 (P): HA 4.306 4.306 4.199 0.107 RESID 239 (P): C 178.950 178.950 177.511 1.439 RESID 239 (P): CA 66.670 66.670 63.537 3.133 RESID 239 (P): CB 32.190 32.190 32.137 0.053 RESID 240 (A): N 118.854 118.854 118.540 0.314 RESID 240 (A): HA 4.134 4.134 4.010 0.124 RESID 240 (A): CA 55.031 55.031 54.135 0.896 RESID 240 (A): CB 18.841 18.841 17.074 1.767 RESID 240 (A): H 9.101 9.101 8.647 0.454 RESID 241 (L): N 118.846 118.846 121.763 -2.917 RESID 241 (L): HA 4.250 4.250 4.024 0.226 RESID 241 (L): C 177.407 177.407 178.835 -1.428 RESID 241 (L): CA 56.333 56.333 57.837 -1.504 RESID 241 (L): CB 42.390 42.390 41.526 0.863 RESID 241 (L): H 7.731 7.731 7.717 0.014 RESID 242 (E): N 122.048 122.048 120.508 1.540 RESID 242 (E): HA 3.961 3.961 4.168 -0.207 RESID 242 (E): C 178.465 178.465 178.331 0.134 RESID 242 (E): CA 60.820 60.820 59.549 1.271 RESID 242 (E): CB 28.886 28.886 29.250 -0.364 RESID 242 (E): H 8.705 8.705 8.677 0.028 RESID 243 (A): N 118.880 118.880 121.028 -2.148 RESID 243 (A): HA 4.038 4.038 4.347 -0.309 RESID 243 (A): C 179.841 179.841 179.491 0.350 RESID 243 (A): CA 54.930 54.930 54.158 0.772 RESID 243 (A): CB 17.700 17.700 18.360 -0.660 RESID 243 (A): H 8.105 8.105 7.973 0.132 RESID 244 (A): N 121.399 121.399 122.412 -1.013 RESID 244 (A): HA 4.037 4.037 3.943 0.094 RESID 244 (A): C 179.839 179.839 179.494 0.345 RESID 244 (A): CA 55.418 55.418 55.040 0.378 RESID 244 (A): H 7.491 7.491 8.631 -1.140 RESID 245 (V): N 120.239 120.239 117.852 2.387 RESID 245 (V): HA 3.382 3.382 3.501 -0.119 RESID 245 (V): C 177.909 177.909 177.698 0.211 RESID 245 (V): CA 67.163 67.163 66.144 1.019 RESID 245 (V): CB 31.790 31.790 31.578 0.211 RESID 245 (V): H 8.612 8.612 7.549 1.063 RESID 246 (K): N 119.270 119.270 119.121 0.149 RESID 246 (K): HA 4.165 4.165 3.915 0.250 RESID 246 (K): C 180.603 180.603 178.548 2.055 RESID 246 (K): CA 60.553 60.553 59.154 1.399 RESID 246 (K): CB 31.828 31.828 32.028 -0.200 RESID 246 (K): H 8.366 8.366 7.423 0.943 RESID 247 (Q): N 120.085 120.085 118.522 1.563 RESID 247 (Q): HA 4.055 4.055 4.082 -0.027 RESID 247 (Q): C 178.255 178.255 178.011 0.244 RESID 247 (Q): CA 58.524 58.524 58.600 -0.076 RESID 247 (Q): CB 28.234 28.234 28.844 -0.610 RESID 247 (Q): H 8.302 8.302 7.637 0.665 RESID 248 (A): N 125.463 125.463 122.751 2.712 RESID 248 (A): HA 3.877 3.877 3.931 -0.054 RESID 248 (A): C 179.700 179.700 179.563 0.137 RESID 248 (A): CA 55.253 55.253 55.417 -0.164 RESID 248 (A): CB 18.658 18.658 18.389 0.269 RESID 248 (A): H 8.194 8.194 7.841 0.353 RESID 249 (Y): N 116.381 116.381 116.589 -0.208 RESID 249 (Y): HA 4.300 4.300 4.589 -0.289 RESID 249 (Y): C 180.993 180.993 177.560 3.433 RESID 249 (Y): CA 63.361 63.361 60.218 3.143 RESID 249 (Y): CB 38.068 38.068 38.280 -0.212 RESID 249 (Y): H 8.686 8.686 8.220 0.466 RESID 250 (A): N 124.956 124.956 121.336 3.620 RESID 250 (A): HA 4.161 4.161 4.334 -0.173 RESID 250 (A): C 179.621 179.621 177.875 1.746 RESID 250 (A): CA 55.220 55.220 53.487 1.733 RESID 250 (A): CB 17.500 17.500 18.307 -0.807 RESID 250 (A): H 8.448 8.448 7.735 0.713 RESID 251 (A): N 119.409 119.409 120.751 -1.342 RESID 251 (A): HA 4.163 4.163 4.352 -0.189 RESID 251 (A): C 178.588 178.588 178.926 -0.338 RESID 251 (A): CA 55.206 55.206 53.675 1.531 RESID 251 (A): CB 17.804 17.804 19.970 -2.166 RESID 251 (A): H 7.649 7.649 8.063 -0.414 RESID 252 (T): N 106.194 106.194 113.894 -7.700 RESID 252 (T): HA 4.392 4.392 3.799 0.593 RESID 252 (T): C 176.679 176.679 175.982 0.697 RESID 252 (T): CA 62.376 62.376 65.135 -2.759 RESID 252 (T): CB 70.838 70.838 68.541 2.297 RESID 252 (T): H 7.806 7.806 7.969 -0.163 RESID 253 (V): N 121.805 121.805 120.159 1.646 RESID 253 (V): HA 3.754 3.754 3.605 0.149 RESID 253 (V): C 176.213 176.213 176.064 0.149 RESID 253 (V): CA 65.339 65.339 65.327 0.012 RESID 253 (V): CB 31.971 31.971 31.540 0.431 RESID 253 (V): H 7.173 7.173 8.136 -0.963 RESID 254 (A): N 122.834 122.834 119.977 2.857 RESID 254 (A): HA 4.457 4.457 4.636 -0.179 RESID 254 (A): C 177.007 177.007 175.784 1.223 RESID 254 (A): CA 51.859 51.859 50.998 0.861 RESID 254 (A): CB 18.494 18.494 18.367 0.127 RESID 254 (A): H 8.542 8.542 7.392 1.150 RESID 255 (T): N 114.241 114.241 115.900 -1.659 RESID 255 (T): HA 4.222 4.222 4.322 -0.100 RESID 255 (T): C 173.687 173.687 172.828 0.859 RESID 255 (T): CA 62.138 62.138 60.683 1.455 RESID 255 (T): CB 70.584 70.584 72.171 -1.587 RESID 255 (T): H 7.469 7.469 7.680 -0.211 RESID 256 (A): N 128.290 128.290 126.965 1.325 RESID 256 (A): HA 4.515 4.515 4.212 0.303 RESID 256 (A): C 176.782 176.782 176.121 0.661 RESID 256 (A): CA 51.165 51.165 51.417 -0.252 RESID 256 (A): CB 17.596 17.596 18.386 -0.790 RESID 256 (A): H 8.625 8.625 8.331 0.294 RESID 257 (P): HA 4.089 4.089 4.213 -0.124 RESID 257 (P): C 178.670 178.670 175.975 2.695 RESID 257 (P): CA 66.250 66.250 64.139 2.111 RESID 257 (P): CB 32.400 32.400 30.377 2.023 RESID 258 (E): N 115.538 115.538 122.105 -6.567 RESID 258 (E): HA 4.205 4.205 4.386 -0.181 RESID 258 (E): C 177.484 177.484 176.160 1.324 RESID 258 (E): CA 59.489 59.489 57.112 2.377 RESID 258 (E): CB 28.896 28.896 31.555 -2.659 RESID 258 (E): H 9.711 9.711 8.805 0.906 RESID 259 (V): N 113.043 113.043 115.098 -2.055 RESID 259 (V): HA 4.641 4.641 4.636 0.005 RESID 259 (V): C 175.536 175.536 176.194 -0.658 RESID 259 (V): CA 61.065 61.065 61.170 -0.105 RESID 259 (V): CB 32.652 32.652 31.783 0.869 RESID 259 (V): H 7.765 7.765 7.612 0.153 RESID 260 (K): N 121.849 121.849 123.772 -1.923 RESID 260 (K): HA 3.769 3.769 3.870 -0.101 RESID 260 (K): C 177.750 177.750 177.718 0.032 RESID 260 (K): CA 61.507 61.507 59.792 1.715 RESID 260 (K): CB 34.189 34.189 32.016 2.173 RESID 260 (K): H 7.415 7.415 8.599 -1.184 RESID 261 (Y): N 117.222 117.222 116.345 0.877 RESID 261 (Y): HA 3.803 3.803 4.370 -0.567 RESID 261 (Y): C 176.020 176.020 178.250 -2.230 RESID 261 (Y): CA 62.761 62.761 60.750 2.011 RESID 261 (Y): CB 36.982 36.982 38.062 -1.081 RESID 261 (Y): H 8.942 8.942 8.045 0.897 RESID 262 (T): N 115.869 115.869 117.571 -1.702 RESID 262 (T): HA 4.136 4.136 3.960 0.176 RESID 262 (T): C 177.136 177.136 176.375 0.761 RESID 262 (T): CA 68.855 68.855 66.529 2.326 RESID 262 (T): CB 66.818 66.818 68.572 -1.754 RESID 262 (T): H 7.822 7.822 8.165 -0.343 RESID 263 (V): N 123.471 123.471 121.178 2.293 RESID 263 (V): HA 3.507 3.507 3.715 -0.208 RESID 263 (V): C 178.020 178.020 177.594 0.426 RESID 263 (V): CA 67.000 67.000 67.005 -0.005 RESID 263 (V): CB 31.699 31.699 31.310 0.389 RESID 263 (V): H 8.051 8.051 8.644 -0.593 RESID 264 (F): N 123.178 123.178 120.109 3.069 RESID 264 (F): HA 3.812 3.812 4.048 -0.236 RESID 264 (F): C 175.217 175.217 177.615 -2.398 RESID 264 (F): CA 60.720 60.720 61.638 -0.917 RESID 264 (F): CB 39.637 39.637 39.034 0.603 RESID 264 (F): H 8.047 8.047 7.467 0.580 RESID 265 (E): N 120.524 120.524 119.148 1.376 RESID 265 (E): HA 2.959 2.959 4.272 -1.313 RESID 265 (E): C 178.300 178.300 178.821 -0.521 RESID 265 (E): CA 59.854 59.854 59.770 0.084 RESID 265 (E): CB 30.318 30.318 30.060 0.258 RESID 265 (E): H 8.830 8.830 8.526 0.304 RESID 266 (T): N 114.371 114.371 117.252 -2.881 RESID 266 (T): HA 3.694 3.694 3.997 -0.303 RESID 266 (T): C 176.020 176.020 176.567 -0.547 RESID 266 (T): CA 66.645 66.645 66.618 0.027 RESID 266 (T): CB 68.704 68.704 68.493 0.211 RESID 266 (T): H 7.978 7.978 8.720 -0.742 RESID 267 (A): N 124.070 124.070 124.004 0.066 RESID 267 (A): HA 3.899 3.899 4.087 -0.188 RESID 267 (A): C 180.615 180.615 179.308 1.307 RESID 267 (A): CA 54.950 54.950 55.112 -0.162 RESID 267 (A): CB 17.668 17.668 18.038 -0.370 RESID 267 (A): H 7.908 7.908 8.664 -0.756 RESID 268 (L): N 121.494 121.494 118.845 2.649 RESID 268 (L): HA 3.716 3.716 3.822 -0.106 RESID 268 (L): C 177.403 177.403 179.123 -1.720 RESID 268 (L): CA 57.095 57.095 57.755 -0.660 RESID 268 (L): CB 35.715 35.715 40.693 -4.978 RESID 268 (L): H 8.499 8.499 7.422 1.077 RESID 269 (K): N 118.900 118.900 118.724 0.176 RESID 269 (K): HA 2.946 2.946 3.774 -0.828 RESID 269 (K): C 179.440 179.440 179.303 0.137 RESID 269 (K): CA 59.500 59.500 59.285 0.215 RESID 269 (K): CB 31.880 31.880 31.794 0.086 RESID 269 (K): H 7.678 7.678 7.713 -0.035 RESID 270 (K): N 118.900 118.900 119.239 -0.339 RESID 270 (K): HA 3.814 3.814 4.035 -0.221 RESID 270 (K): C 178.960 178.960 178.960 0.000 RESID 270 (K): CA 59.770 59.770 59.109 0.660 RESID 270 (K): CB 32.330 32.330 32.125 0.205 RESID 270 (K): H 7.678 7.678 7.850 -0.172 RESID 271 (A): N 122.628 122.628 122.845 -0.217 RESID 271 (A): HA 4.078 4.078 4.046 0.032 RESID 271 (A): C 180.707 180.707 179.749 0.958 RESID 271 (A): CA 54.835 54.835 55.092 -0.257 RESID 271 (A): CB 18.694 18.694 18.366 0.328 RESID 271 (A): H 7.699 7.699 7.988 -0.289 RESID 272 (I): N 120.190 120.190 117.907 2.283 RESID 272 (I): HA 3.616 3.616 3.527 0.089 RESID 272 (I): C 178.458 178.458 178.061 0.397 RESID 272 (I): CA 65.296 65.296 65.352 -0.056 RESID 272 (I): CB 37.724 37.724 37.844 -0.120 RESID 272 (I): H 8.519 8.519 8.401 0.118 RESID 273 (T): N 118.748 118.748 116.460 2.288 RESID 273 (T): HA 4.227 4.227 3.928 0.299 RESID 273 (T): C 176.122 176.122 176.327 -0.205 RESID 273 (T): CA 68.686 68.686 66.841 1.845 RESID 273 (T): CB 67.031 67.031 68.417 -1.386 RESID 273 (T): H 8.329 8.329 8.284 0.045 RESID 274 (A): N 122.829 122.829 124.970 -2.141 RESID 274 (A): HA 4.120 4.120 3.981 0.139 RESID 274 (A): C 180.580 180.580 179.567 1.013 RESID 274 (A): CA 55.013 55.013 55.131 -0.118 RESID 274 (A): CB 17.770 17.770 18.216 -0.446 RESID 274 (A): H 7.841 7.841 8.229 -0.388 RESID 275 (M): N 118.352 118.352 114.460 3.892 RESID 275 (M): HA 4.082 4.082 4.261 -0.179 RESID 275 (M): C 178.226 178.226 177.109 1.117 RESID 275 (M): CA 59.240 59.240 56.766 2.474 RESID 275 (M): CB 33.624 33.624 32.249 1.375 RESID 275 (M): H 7.886 7.886 7.962 -0.076 RESID 276 (S): N 115.242 115.242 113.699 1.543 RESID 276 (S): HA 4.100 4.100 4.229 -0.129 RESID 276 (S): C 176.687 176.687 176.843 -0.156 RESID 276 (S): CA 60.920 60.920 60.862 0.058 RESID 276 (S): CB 62.763 62.763 63.513 -0.750 RESID 276 (S): H 8.154 8.154 7.337 0.817 RESID 277 (E): N 120.950 120.950 123.189 -2.239 RESID 277 (E): HA 3.990 3.990 4.026 -0.036 RESID 277 (E): C 178.562 178.562 178.146 0.416 RESID 277 (E): CA 58.426 58.426 59.096 -0.670 RESID 277 (E): CB 29.510 29.510 29.676 -0.166 RESID 277 (E): H 8.336 8.336 8.512 -0.176 RESID 278 (A): N 121.655 121.655 121.229 0.426 RESID 278 (A): HA 4.137 4.137 4.114 0.023 RESID 278 (A): C 179.412 179.412 179.922 -0.510 RESID 278 (A): CA 54.163 54.163 54.518 -0.355 RESID 278 (A): CB 18.234 18.234 18.191 0.043 RESID 278 (A): H 7.943 7.943 7.913 0.030 RESID 279 (Q): N 116.951 116.951 117.438 -0.487 RESID 279 (Q): HA 4.138 4.138 3.967 0.171 RESID 279 (Q): C 177.164 177.164 177.962 -0.798 RESID 279 (Q): CA 56.987 56.987 58.493 -1.506 RESID 279 (Q): CB 28.602 28.602 28.667 -0.065 RESID 279 (Q): H 7.791 7.791 7.615 0.176 RESID 280 (K): N 119.993 119.993 115.447 4.546 RESID 280 (K): HA 4.089 4.089 4.069 0.020 RESID 280 (K): C 176.909 176.909 176.444 0.465 RESID 280 (K): CA 57.700 57.700 57.634 0.066 RESID 280 (K): CB 32.860 32.860 32.885 -0.025 RESID 280 (K): H 7.863 7.863 8.045 -0.182 RESID 281 (A): N 122.367 122.367 120.788 1.579 RESID 281 (A): HA 4.206 4.206 4.560 -0.354 RESID 281 (A): C 177.375 177.375 175.557 1.818 RESID 281 (A): CA 52.474 52.474 51.632 0.842 RESID 281 (A): CB 19.140 19.140 21.011 -1.871 RESID 281 (A): H 7.841 7.841 7.439 0.402 RESID 282 (A): N 122.465 122.465 124.133 -1.668 RESID 282 (A): HA 4.211 4.211 4.397 -0.186 RESID 282 (A): C 177.333 177.333 177.673 -0.340 RESID 282 (A): CA 52.413 52.413 52.291 0.122 RESID 282 (A): CB 19.016 19.016 18.888 0.128 RESID 282 (A): H 7.891 7.891 8.374 -0.483 RESID 283 (K): N 121.934 121.934 121.019 0.915 RESID 283 (K): HA 4.560 4.560 4.493 0.067 RESID 283 (K): C 181.141 181.141 174.755 6.386 RESID 283 (K): CA 54.069 54.069 54.768 -0.699 RESID 283 (K): CB 32.644 32.644 32.413 0.231 RESID 283 (K): H 8.140 8.140 7.853 0.287 RESID 284 (P): HA 4.331 4.331 4.460 -0.129 RESID 284 (P): C 172.250 172.250 176.467 -4.217 RESID 284 (P): CA 63.500 63.500 62.727 0.773 RESID 284 (P): CB 32.160 32.160 32.279 -0.119 N HA C CA CB H RESID 57 (G): -2.138 ----- -0.376 0.246 ----- -0.103 RESID 58 (K): 0.291 -0.237 1.448 -0.178 0.020 0.453 RESID 59 (A): -0.555 -0.107 -0.140 -0.285 0.202 0.037 RESID 60 (T): 1.951 -0.123 2.202 1.582 0.348 0.893 RESID 61 (T): 2.745 -0.247 1.016 1.645 -1.648 0.482 RESID 62 (E): -1.944 -0.021 1.715 -0.450 0.030 0.224 RESID 63 (E): 0.085 -0.087 -0.867 1.249 0.073 0.728 RESID 64 (Q): -0.488 -0.186 0.706 0.469 -0.037 0.261 RESID 65 (K): 0.379 -0.103 -0.387 0.533 0.104 0.194 RESID 66 (L): -1.160 -0.012 -0.016 0.555 -0.777 -0.704 RESID 67 (I): -0.753 0.218 1.124 -1.131 -1.209 -0.302 RESID 68 (E): 3.863 -0.264 3.343 1.982 -0.501 0.605 RESID 69 (K): 0.534 -0.104 1.916 1.446 0.185 -0.103 RESID 70 (I): 3.542 -0.028 2.346 0.109 -1.752 0.779 RESID 71 (N): 2.327 0.411 1.636 -0.979 0.321 0.790 RESID 72 (A): 1.179 0.083 1.636 0.618 -0.487 0.730 RESID 73 (G): 2.718 ----- -1.345 0.192 ----- 0.827 RESID 74 (F): 3.584 -0.194 -0.503 2.659 1.130 0.607 RESID 75 (K): -2.404 0.075 0.929 0.180 0.137 -0.354 RESID 76 (A): 2.303 -0.021 2.140 -0.070 -0.529 0.577 RESID 77 (A): 4.978 -0.485 -0.595 1.406 -1.000 1.010 RESID 78 (L): 1.817 0.505 0.844 0.460 1.183 -0.118 RESID 79 (A): -0.492 0.037 1.621 -0.180 -0.394 -0.743 RESID 80 (A): 1.810 -0.072 2.086 0.526 0.607 0.286 RESID 81 (A): -1.055 -0.046 0.089 -0.584 -0.192 0.820 RESID 82 (A): 1.539 -0.394 0.032 2.170 -2.083 0.224 RESID 83 (G): 18.447 ----- -0.067 -0.244 ----- -1.147 RESID 84 (V): -3.314 0.268 0.348 -0.874 0.839 -0.390 RESID 85 (Q): -0.536 -0.345 ----- 0.816 -1.408 0.330 RESID 86 (P): ----- 0.166 ----- -1.958 0.734 ----- RESID 87 (A): -7.146 0.172 -0.764 1.677 0.463 0.382 RESID 88 (D): -1.773 0.631 0.463 -1.917 3.033 -0.657 RESID 89 (K): 5.077 -0.699 -1.548 3.225 0.230 -0.829 RESID 90 (Y): -2.136 -0.593 -1.825 2.380 -1.089 1.126 RESID 91 (R): -0.993 -0.101 1.139 -0.276 -0.948 0.548 RESID 92 (T): 2.659 -0.129 -0.333 1.404 0.225 -0.627 RESID 93 (F): 3.090 -0.392 -0.098 0.896 0.900 1.516 RESID 94 (V): -0.328 -0.790 1.441 1.710 0.306 1.080 RESID 95 (A): 0.376 0.043 0.537 -0.338 -0.289 0.148 RESID 96 (T): 0.049 0.064 -0.013 2.651 -2.087 -0.253 RESID 97 (F): 0.847 -0.437 0.343 1.385 0.833 1.265 RESID 98 (G): 0.206 ----- 0.642 -0.087 ----- 0.540 RESID 99 (A): -1.632 0.055 1.163 0.309 -0.432 -0.314 RESID 100 (A): 0.430 0.370 1.738 -0.377 -0.401 1.683 RESID 101 (S): 3.446 0.232 0.184 7.054 4.252 0.242 RESID 102 (N): ----- -0.076 ----- 0.163 -0.695 ----- RESID 103 (K): -0.568 0.088 -0.717 -0.407 0.162 -0.420 RESID 104 (A): -0.822 -0.049 0.611 -0.632 -0.169 0.226 RESID 105 (F): -1.459 0.026 0.451 -0.956 -0.190 -0.270 RESID 106 (A): 2.069 0.026 ----- -0.179 -0.200 -0.767 RESID 107 (E): -1.297 -0.195 -0.536 0.987 0.258 0.056 RESID 108 (G): 0.010 ----- -0.936 -0.003 ----- -0.007 RESID 109 (L): 2.072 0.413 0.759 0.814 0.989 -0.332 RESID 110 (S): -0.408 0.066 0.198 -0.949 0.033 -0.013 RESID 111 (G): 1.512 ----- 0.471 0.702 ----- 0.669 RESID 112 (E): -1.914 0.462 ----- -2.244 -0.106 -0.505 RESID 113 (P): ----- 0.062 ----- -1.196 0.180 ----- RESID 114 (K): 2.641 0.162 -0.557 -1.362 0.524 0.872 RESID 115 (G): 1.092 ----- 0.802 0.075 ----- -0.164 RESID 116 (A): 2.348 -0.345 2.400 1.663 -1.289 0.679 RESID 117 (A): -0.909 -0.186 0.330 0.144 0.047 -0.158 RESID 118 (E): 3.689 -0.059 1.011 0.142 0.288 -0.167 RESID 119 (S): 4.471 -0.164 0.199 0.542 -0.803 0.752 RESID 120 (S): 1.888 0.060 -0.163 -1.104 0.339 0.683 RESID 121 (S): 1.572 -0.065 0.692 0.840 -0.341 -0.031 RESID 122 (K): 2.769 -0.016 ----- 0.114 0.055 0.217 RESID 123 (A): 2.853 0.033 ----- -0.494 0.149 0.818 RESID 124 (A): 0.244 0.104 ----- -0.586 0.321 0.179 RESID 125 (L): 1.375 -0.024 -0.071 0.195 -0.163 0.422 RESID 126 (T): -0.028 -0.126 -0.591 1.433 -1.466 0.818 RESID 127 (S): -1.424 0.038 0.652 -0.977 -0.086 -0.721 RESID 128 (K): 0.649 -0.019 0.715 1.041 0.476 -0.422 RESID 129 (L): 2.618 -0.754 -2.789 1.035 -0.073 0.110 RESID 130 (D): -3.760 -0.448 0.644 0.278 0.263 -0.475 RESID 131 (A): -2.586 -0.139 0.807 -0.218 -0.525 -0.634 RESID 132 (A): 2.600 -0.029 0.201 -0.114 0.012 -0.020 RESID 133 (Y): -1.105 0.022 2.606 -4.221 -2.639 1.080 RESID 134 (K): 2.111 0.123 0.047 1.611 0.203 0.282 RESID 135 (L): 1.610 0.132 2.017 0.293 0.272 -0.302 RESID 136 (A): 3.578 -0.333 -1.042 1.208 -0.672 0.063 RESID 137 (Y): -1.506 1.616 0.394 1.953 0.896 0.597 RESID 138 (K): 0.561 0.299 1.128 -0.198 0.186 0.848 RESID 139 (T): 1.130 0.216 0.833 2.549 -1.355 0.892 RESID 140 (A): 1.529 -0.118 1.463 0.326 1.572 0.972 RESID 141 (E): 1.793 -0.279 0.227 1.153 0.400 0.972 RESID 142 (G): -4.504 ----- -1.180 0.069 ----- 0.235 RESID 143 (A): 1.152 0.101 0.580 -1.350 0.648 -0.709 RESID 144 (T): -4.027 0.032 0.698 -0.070 -1.643 -0.035 RESID 145 (P): ----- -0.397 2.993 3.220 0.228 ----- RESID 146 (E): -0.841 0.193 1.258 1.922 -0.745 0.425 RESID 147 (A): 5.596 0.249 0.099 -0.751 1.227 -0.078 RESID 148 (K): -0.346 -0.561 -0.373 2.172 0.986 -0.701 RESID 149 (Y): -2.250 -0.356 -2.088 0.588 -0.495 0.582 RESID 150 (D): -1.258 -0.542 0.592 -0.525 0.067 -0.181 RESID 152 (Y): ----- -0.377 -0.797 3.056 1.088 ----- RESID 153 (V): -1.731 -0.135 0.612 0.875 0.754 -0.047 RESID 154 (A): -0.322 0.052 -2.301 -0.142 -0.046 -0.136 RESID 155 (T): -2.484 -0.109 0.173 -0.002 -0.112 -0.267 RESID 156 (L): 3.095 -0.252 ----- 0.092 0.585 0.632 RESID 157 (S): -3.256 -0.274 1.079 1.112 -1.359 0.696 RESID 158 (E): -0.629 0.077 -1.184 -0.237 0.147 -0.502 RESID 159 (A): -1.789 -0.042 1.239 0.315 0.105 -0.315 RESID 160 (L): -2.881 -0.233 0.438 0.468 -0.831 0.775 RESID 161 (R): 3.060 -0.105 0.884 0.053 -0.225 -0.452 RESID 162 (I): -0.416 -0.117 2.347 -0.114 -0.137 -0.467 RESID 163 (I): ----- -0.167 ----- 0.305 0.755 ----- RESID 164 (A): -0.124 -0.095 0.486 0.481 -0.290 0.905 RESID 165 (G): -2.170 ----- -0.445 0.472 ----- -0.219 RESID 166 (T): -4.610 0.212 -1.755 -1.986 0.705 -0.112 RESID 167 (L): -1.177 0.013 1.433 -0.182 1.953 -0.634 RESID 168 (E): 0.089 -0.265 -0.327 0.003 -0.119 -0.494 RESID 169 (V): 3.054 0.134 0.583 -7.488 ----- 0.043 RESID 170 (H): 5.168 -0.240 -0.380 -0.595 -1.957 0.785 RESID 171 (A): 0.351 -0.126 -0.356 -0.378 -1.286 -0.064 RESID 172 (V): -1.149 -0.035 0.139 -0.720 0.802 0.468 RESID 173 (K): -1.518 ----- -0.807 -0.314 1.114 0.137 RESID 174 (P): ----- -0.028 ----- -0.473 0.264 ----- RESID 175 (A): -0.573 -0.064 1.298 0.893 0.339 0.240 RESID 176 (A): 1.239 0.216 -0.247 -1.197 1.516 0.378 RESID 177 (E): -5.180 -0.247 -0.020 0.743 -0.095 -0.153 RESID 178 (E): -0.861 0.013 -0.121 0.442 0.445 -0.133 RESID 179 (V): 0.914 0.042 -0.355 -0.465 0.672 -0.140 RESID 180 (K): -1.382 -0.006 -0.719 0.068 -0.096 -0.040 RESID 181 (V): 3.067 -0.196 0.132 -1.012 2.151 -0.276 RESID 182 (I): -0.068 ----- 0.024 0.052 -0.833 0.630 RESID 183 (P): ----- 0.044 0.016 -0.374 0.431 ----- RESID 184 (A): 4.146 -0.030 1.576 0.933 -0.173 0.904 RESID 185 (G): -2.152 ----- 0.880 0.547 ----- 0.244 RESID 186 (E): -2.747 0.261 0.853 -0.261 1.535 -0.496 RESID 187 (L): 1.535 -0.074 -0.925 -0.334 0.287 0.110 RESID 188 (Q): -1.154 0.183 -0.315 -1.484 0.084 -0.265 RESID 189 (V): -1.710 -0.061 0.197 0.646 0.727 0.257 RESID 190 (I): 0.542 -0.058 0.525 0.020 -1.174 0.603 RESID 191 (E): -0.329 0.141 0.072 0.375 0.513 -0.141 RESID 192 (K): -1.078 0.153 -0.160 -0.994 -0.378 -0.140 RESID 193 (V): 3.583 -0.160 -0.810 0.056 0.290 0.690 RESID 194 (D): 1.293 -0.074 -0.331 0.437 1.633 0.638 RESID 195 (A): -0.642 -0.283 1.411 1.107 -0.495 0.353 RESID 196 (A): -0.175 -0.342 0.146 0.661 0.582 0.310 RESID 197 (F): 0.840 -0.564 -1.050 0.388 -0.772 0.726 RESID 198 (K): -1.410 -0.140 1.718 -0.494 -0.034 0.155 RESID 199 (V): 1.859 -0.078 1.152 0.836 0.326 -0.347 RESID 200 (A): 3.757 -0.505 -0.370 0.327 0.627 0.590 RESID 201 (A): -0.582 -0.087 1.002 -0.552 0.042 -0.055 RESID 202 (T): 1.324 0.103 -0.259 -4.227 -6.710 0.174 RESID 203 (A): 1.819 -0.172 2.171 0.828 -0.582 -0.116 RESID 204 (A): 1.895 0.049 1.303 1.882 -0.559 1.160 RESID 205 (N): -3.660 -0.130 -0.984 1.262 1.031 0.087 RESID 206 (A): -1.909 0.114 -0.028 3.093 -0.704 -0.446 RESID 207 (A): 1.996 -0.150 -0.082 1.019 -1.294 -0.136 RESID 208 (P): ----- 0.031 0.601 0.179 -0.173 ----- RESID 209 (A): 1.599 0.096 1.915 1.704 1.061 0.359 RESID 210 (N): -5.278 -0.116 0.566 1.312 -0.152 0.735 RESID 211 (D): 2.300 0.765 1.094 -1.531 3.567 -0.789 RESID 212 (K): 3.061 -0.924 0.430 5.212 -0.319 -0.888 RESID 213 (F): -4.134 -0.030 0.398 -0.028 -0.163 -0.619 RESID 214 (T): 1.754 ----- 1.547 0.186 0.820 -0.334 RESID 215 (V): 1.665 -0.007 0.398 0.565 -0.011 0.716 RESID 216 (F): -2.118 -0.265 -0.273 0.700 0.321 1.106 RESID 217 (E): -1.289 -0.176 -1.147 2.666 0.708 -0.406 RESID 218 (A): -3.682 0.018 1.120 0.259 -0.500 0.177 RESID 219 (A): -2.069 0.055 0.953 -0.073 0.428 0.126 RESID 220 (F): 2.097 0.334 0.432 -2.956 1.371 0.469 RESID 221 (N): 0.904 -0.180 ----- 0.569 -0.145 0.731 RESID 222 (D): -1.854 -0.237 0.647 0.834 0.114 0.195 RESID 223 (A): -0.125 0.073 ----- 0.206 -0.006 -0.194 RESID 224 (I): 6.487 -0.535 0.301 1.742 -0.384 1.277 RESID 225 (K): 2.806 0.184 0.405 -0.880 -0.041 0.674 RESID 226 (A): -0.150 0.047 1.567 -0.006 0.349 -0.306 RESID 227 (S): -0.886 0.094 0.118 0.601 -0.084 0.762 RESID 228 (T): -3.573 0.065 ----- 1.329 0.598 -0.246 RESID 229 (G): 3.253 ----- 2.994 1.041 ----- 0.124 RESID 230 (G): -2.566 ----- 0.735 0.420 ----- 0.570 RESID 231 (A): -3.494 -0.413 0.380 2.204 -0.302 -0.023 RESID 232 (Y): -8.543 -0.274 -0.109 -0.066 2.526 -1.072 RESID 233 (E): -4.476 -0.271 -2.367 0.024 0.556 0.163 RESID 234 (S): -10.388 0.359 1.541 -3.495 1.682 -1.414 RESID 235 (Y): 0.753 -0.643 0.850 1.968 0.450 0.079 RESID 236 (K): -3.837 -0.985 0.556 1.881 -4.267 -0.768 RESID 237 (F): -4.313 0.271 -1.902 0.476 0.993 -0.958 RESID 238 (I): 0.367 0.684 ----- -2.183 2.345 -1.242 RESID 239 (P): ----- 0.107 1.439 3.133 0.053 ----- RESID 240 (A): 0.314 0.124 ----- 0.896 1.767 0.454 RESID 241 (L): -2.917 0.226 -1.428 -1.504 0.863 0.014 RESID 242 (E): 1.540 -0.207 0.134 1.271 -0.364 0.028 RESID 243 (A): -2.148 -0.309 0.350 0.772 -0.660 0.132 RESID 244 (A): -1.013 0.094 0.345 0.378 ----- -1.140 RESID 245 (V): 2.387 -0.119 0.211 1.019 0.211 1.063 RESID 246 (K): 0.149 0.250 2.055 1.399 -0.200 0.943 RESID 247 (Q): 1.563 -0.027 0.244 -0.076 -0.610 0.665 RESID 248 (A): 2.712 -0.054 0.137 -0.164 0.269 0.353 RESID 249 (Y): -0.208 -0.289 3.433 3.143 -0.212 0.466 RESID 250 (A): 3.620 -0.173 1.746 1.733 -0.807 0.713 RESID 251 (A): -1.342 -0.189 -0.338 1.531 -2.166 -0.414 RESID 252 (T): -7.700 0.593 0.697 -2.759 2.297 -0.163 RESID 253 (V): 1.646 0.149 0.149 0.012 0.431 -0.963 RESID 254 (A): 2.857 -0.179 1.223 0.861 0.127 1.150 RESID 255 (T): -1.659 -0.100 0.859 1.455 -1.587 -0.211 RESID 256 (A): 1.325 0.303 0.661 -0.252 -0.790 0.294 RESID 257 (P): ----- -0.124 2.695 2.111 2.023 ----- RESID 258 (E): -6.567 -0.181 1.324 2.377 -2.659 0.906 RESID 259 (V): -2.055 0.005 -0.658 -0.105 0.869 0.153 RESID 260 (K): -1.923 -0.101 0.032 1.715 2.173 -1.184 RESID 261 (Y): 0.877 -0.567 -2.230 2.011 -1.081 0.897 RESID 262 (T): -1.702 0.176 0.761 2.326 -1.754 -0.343 RESID 263 (V): 2.293 -0.208 0.426 -0.005 0.389 -0.593 RESID 264 (F): 3.069 -0.236 -2.398 -0.917 0.603 0.580 RESID 265 (E): 1.376 -1.313 -0.521 0.084 0.258 0.304 RESID 266 (T): -2.881 -0.303 -0.547 0.027 0.211 -0.742 RESID 267 (A): 0.066 -0.188 1.307 -0.162 -0.370 -0.756 RESID 268 (L): 2.649 -0.106 -1.720 -0.660 -4.978 1.077 RESID 269 (K): 0.176 -0.828 0.137 0.215 0.086 -0.035 RESID 270 (K): -0.339 -0.221 0.000 0.660 0.205 -0.172 RESID 271 (A): -0.217 0.032 0.958 -0.257 0.328 -0.289 RESID 272 (I): 2.283 0.089 0.397 -0.056 -0.120 0.118 RESID 273 (T): 2.288 0.299 -0.205 1.845 -1.386 0.045 RESID 274 (A): -2.141 0.139 1.013 -0.118 -0.446 -0.388 RESID 275 (M): 3.892 -0.179 1.117 2.474 1.375 -0.076 RESID 276 (S): 1.543 -0.129 -0.156 0.058 -0.750 0.817 RESID 277 (E): -2.239 -0.036 0.416 -0.670 -0.166 -0.176 RESID 278 (A): 0.426 0.023 -0.510 -0.355 0.043 0.030 RESID 279 (Q): -0.487 0.171 -0.798 -1.506 -0.065 0.176 RESID 280 (K): 4.546 0.020 0.465 0.066 -0.025 -0.182 RESID 281 (A): 1.579 -0.354 1.818 0.842 -1.871 0.402 RESID 282 (A): -1.668 -0.186 -0.340 0.122 0.128 -0.483 RESID 283 (K): 0.915 0.067 6.386 -0.699 0.231 0.287 RESID 284 (P): ----- -0.129 -4.217 0.773 -0.119 ----- DATA CS_STAT_INFO N RMS: 2.882 ppm Count: 216 Average Difference: -0.153 +/- 2.884 ppm DATA CS_STAT_INFO HA RMS: 0.306 ppm Count: 233 Average Difference: 0.057 +/- 0.301 ppm DATA CS_STAT_INFO C RMS: 1.256 ppm Count: 211 Average Difference: -0.374 +/- 1.202 ppm DATA CS_STAT_INFO CA RMS: 1.474 ppm Count: 228 Average Difference: -0.350 +/- 1.435 ppm DATA CS_STAT_INFO CB RMS: 1.173 ppm Count: 214 Average Difference: -0.005 +/- 1.176 ppm DATA CS_STAT_INFO HN RMS: 0.597 ppm Count: 216 Average Difference: -0.133 +/- 0.583 ppm ############################################################################ For conformer 6: Atom Original Corrected SPARTA Difference RESID 56 (A): N 123.960 123.960 121.577 2.383 RESID 56 (A): HA 4.219 4.219 4.039 0.180 RESID 56 (A): C 177.886 177.886 177.888 -0.002 RESID 56 (A): CA 52.782 52.782 52.957 -0.175 RESID 56 (A): CB 19.246 19.246 17.839 1.407 RESID 56 (A): H 8.814 8.814 8.538 0.276 RESID 57 (G): N 108.854 108.854 104.246 4.608 RESID 57 (G): C 173.751 173.751 174.151 -0.400 RESID 57 (G): CA 45.130 45.130 44.910 0.220 RESID 57 (G): H 8.524 8.524 8.524 -0.000 RESID 58 (K): N 120.911 120.911 122.379 -1.468 RESID 58 (K): HA 4.301 4.301 4.255 0.046 RESID 58 (K): C 176.244 176.244 174.845 1.399 RESID 58 (K): CA 55.941 55.941 56.266 -0.325 RESID 58 (K): CB 33.552 33.552 32.179 1.373 RESID 58 (K): H 8.206 8.206 7.995 0.211 RESID 59 (A): N 126.086 126.086 128.706 -2.620 RESID 59 (A): HA 4.354 4.354 4.592 -0.238 RESID 59 (A): C 177.815 177.815 176.237 1.578 RESID 59 (A): CA 52.346 52.346 51.708 0.638 RESID 59 (A): CB 19.479 19.479 20.306 -0.827 RESID 59 (A): H 8.518 8.518 8.117 0.401 RESID 60 (T): N 114.453 114.453 114.939 -0.486 RESID 60 (T): HA 4.434 4.434 4.109 0.325 RESID 60 (T): C 175.282 175.282 173.293 1.989 RESID 60 (T): CA 61.740 61.740 61.879 -0.139 RESID 60 (T): CB 70.210 70.210 69.110 1.100 RESID 60 (T): H 8.402 8.402 8.161 0.241 RESID 61 (T): N 115.217 115.217 113.746 1.471 RESID 61 (T): HA 4.360 4.360 4.541 -0.181 RESID 61 (T): C 175.851 175.851 175.251 0.600 RESID 61 (T): CA 61.847 61.847 60.358 1.488 RESID 61 (T): CB 70.682 70.682 70.865 -0.183 RESID 61 (T): H 8.429 8.429 8.082 0.347 RESID 62 (E): N 120.843 120.843 121.771 -0.928 RESID 62 (E): HA 3.923 3.923 4.090 -0.167 RESID 62 (E): C 179.517 179.517 178.632 0.885 RESID 62 (E): CA 59.568 59.568 59.915 -0.347 RESID 62 (E): CB 29.223 29.223 29.547 -0.324 RESID 62 (E): H 9.049 9.049 8.858 0.191 RESID 63 (E): N 119.900 119.900 119.536 0.364 RESID 63 (E): HA 3.768 3.768 3.987 -0.219 RESID 63 (E): C 177.635 177.635 178.886 -1.251 RESID 63 (E): CA 60.882 60.882 59.979 0.903 RESID 63 (E): CB 29.410 29.410 29.301 0.109 RESID 63 (E): H 8.857 8.857 8.587 0.270 RESID 64 (Q): N 118.374 118.374 117.618 0.756 RESID 64 (Q): HA 3.821 3.821 3.941 -0.120 RESID 64 (Q): C 178.986 178.986 178.426 0.560 RESID 64 (Q): CA 58.831 58.831 58.834 -0.003 RESID 64 (Q): CB 28.480 28.480 28.610 -0.130 RESID 64 (Q): H 7.923 7.923 7.862 0.061 RESID 65 (K): N 119.234 119.234 119.533 -0.299 RESID 65 (K): HA 3.940 3.940 4.060 -0.120 RESID 65 (K): C 178.993 178.993 179.023 -0.030 RESID 65 (K): CA 59.547 59.547 58.913 0.634 RESID 65 (K): CB 32.502 32.502 32.490 0.011 RESID 65 (K): H 8.258 8.258 7.744 0.514 RESID 66 (L): N 120.500 120.500 120.869 -0.369 RESID 66 (L): HA 4.060 4.060 4.071 -0.011 RESID 66 (L): C 178.729 178.729 178.376 0.353 RESID 66 (L): CA 58.217 58.217 57.644 0.573 RESID 66 (L): CB 41.328 41.328 42.198 -0.870 RESID 66 (L): H 7.786 7.786 8.176 -0.390 RESID 67 (I): N 118.533 118.533 118.279 0.254 RESID 67 (I): HA 3.817 3.817 3.644 0.173 RESID 67 (I): C 177.644 177.644 176.722 0.922 RESID 67 (I): CA 62.837 62.837 64.091 -1.254 RESID 67 (I): CB 36.617 36.617 37.885 -1.268 RESID 67 (I): H 8.049 8.049 8.681 -0.632 RESID 68 (E): N 121.332 121.332 116.710 4.622 RESID 68 (E): HA 4.117 4.117 4.410 -0.293 RESID 68 (E): C 181.037 181.037 177.573 3.464 RESID 68 (E): CA 59.800 59.800 57.699 2.101 RESID 68 (E): CB 29.330 29.330 29.744 -0.414 RESID 68 (E): H 8.178 8.178 7.661 0.517 RESID 69 (K): N 120.580 120.580 119.962 0.618 RESID 69 (K): HA 4.120 4.120 4.238 -0.118 RESID 69 (K): C 180.563 180.563 178.691 1.872 RESID 69 (K): CA 59.667 59.667 58.217 1.450 RESID 69 (K): CB 33.436 33.436 33.179 0.257 RESID 69 (K): H 7.921 7.921 7.781 0.140 RESID 70 (I): N 123.857 123.857 120.467 3.390 RESID 70 (I): HA 3.761 3.761 3.704 0.057 RESID 70 (I): C 178.582 178.582 176.156 2.426 RESID 70 (I): CA 63.442 63.442 63.321 0.121 RESID 70 (I): CB 36.146 36.146 37.792 -1.646 RESID 70 (I): H 8.533 8.533 8.190 0.343 RESID 71 (N): N 121.132 121.132 118.887 2.245 RESID 71 (N): HA 4.596 4.596 4.267 0.329 RESID 71 (N): C 178.680 178.680 177.034 1.646 RESID 71 (N): CA 56.116 56.116 57.230 -1.114 RESID 71 (N): CB 37.991 37.991 37.668 0.323 RESID 71 (N): H 9.041 9.041 8.344 0.697 RESID 72 (A): N 123.574 123.574 122.498 1.076 RESID 72 (A): HA 4.231 4.231 4.163 0.068 RESID 72 (A): C 181.206 181.206 179.646 1.560 RESID 72 (A): CA 55.491 55.491 55.009 0.482 RESID 72 (A): CB 17.697 17.697 18.173 -0.476 RESID 72 (A): H 8.361 8.361 7.647 0.714 RESID 73 (G): N 109.949 109.949 107.319 2.630 RESID 73 (G): C 175.146 175.146 176.607 -1.461 RESID 73 (G): CA 47.137 47.137 46.961 0.176 RESID 73 (G): H 8.429 8.429 7.628 0.801 RESID 74 (F): N 124.896 124.896 121.493 3.403 RESID 74 (F): HA 4.079 4.079 4.357 -0.278 RESID 74 (F): C 177.084 177.084 177.606 -0.522 RESID 74 (F): CA 62.295 62.295 59.090 3.205 RESID 74 (F): CB 39.696 39.696 38.612 1.084 RESID 74 (F): H 9.000 9.000 8.600 0.400 RESID 75 (K): N 118.457 118.457 120.944 -2.487 RESID 75 (K): HA 4.009 4.009 3.984 0.025 RESID 75 (K): C 179.824 179.824 178.921 0.903 RESID 75 (K): CA 60.011 60.011 59.856 0.155 RESID 75 (K): CB 32.450 32.450 32.399 0.051 RESID 75 (K): H 8.165 8.165 8.989 -0.824 RESID 76 (A): N 122.983 122.983 120.951 2.032 RESID 76 (A): HA 4.127 4.127 4.141 -0.014 RESID 76 (A): C 180.654 180.654 178.768 1.886 RESID 76 (A): CA 54.723 54.723 54.855 -0.132 RESID 76 (A): CB 17.580 17.580 18.072 -0.492 RESID 76 (A): H 8.429 8.429 8.090 0.339 RESID 77 (A): N 124.931 124.931 120.250 4.681 RESID 77 (A): HA 3.765 3.765 4.218 -0.453 RESID 77 (A): C 178.922 178.922 179.632 -0.710 RESID 77 (A): CA 55.160 55.160 54.103 1.057 RESID 77 (A): CB 18.170 18.170 19.000 -0.830 RESID 77 (A): H 8.407 8.407 7.322 1.085 RESID 78 (L): N 121.008 121.008 119.604 1.404 RESID 78 (L): HA 4.180 4.180 3.915 0.265 RESID 78 (L): C 180.456 180.456 179.711 0.745 RESID 78 (L): CA 58.160 58.160 57.899 0.261 RESID 78 (L): CB 42.895 42.895 41.334 1.562 RESID 78 (L): H 8.412 8.412 8.633 -0.221 RESID 79 (A): N 121.505 121.505 121.994 -0.489 RESID 79 (A): HA 4.133 4.133 4.126 0.007 RESID 79 (A): C 180.329 180.329 177.973 2.356 RESID 79 (A): CA 54.697 54.697 54.645 0.052 RESID 79 (A): CB 17.662 17.662 18.220 -0.557 RESID 79 (A): H 7.813 7.813 8.430 -0.617 RESID 80 (A): N 121.520 121.520 118.420 3.100 RESID 80 (A): HA 4.055 4.055 4.255 -0.200 RESID 80 (A): C 181.040 181.040 178.668 2.372 RESID 80 (A): CA 54.340 54.340 53.170 1.170 RESID 80 (A): CB 18.700 18.700 18.651 0.050 RESID 80 (A): H 8.278 8.278 7.568 0.710 RESID 81 (A): N 119.451 119.451 120.693 -1.242 RESID 81 (A): HA 4.179 4.179 3.781 0.398 RESID 81 (A): C 178.308 178.308 177.612 0.696 RESID 81 (A): CA 53.950 53.950 54.140 -0.190 RESID 81 (A): CB 18.900 18.900 18.300 0.600 RESID 81 (A): H 8.428 8.428 7.112 1.316 RESID 82 (A): N 119.868 119.868 119.073 0.795 RESID 82 (A): HA 4.018 4.018 4.328 -0.310 RESID 82 (A): C 178.696 178.696 178.929 -0.233 RESID 82 (A): CA 54.290 54.290 52.158 2.132 RESID 82 (A): CB 18.200 18.200 18.894 -0.694 RESID 82 (A): H 7.860 7.860 7.836 0.024 RESID 83 (G): N 128.265 128.265 109.883 18.382 RESID 83 (G): C 174.104 174.104 175.244 -1.140 RESID 83 (G): CA 44.978 44.978 46.257 -1.279 RESID 83 (G): H 7.429 7.429 7.774 -0.345 RESID 84 (V): N 111.883 111.883 116.428 -4.545 RESID 84 (V): HA 4.801 4.801 4.256 0.545 RESID 84 (V): C 175.136 175.136 175.356 -0.220 RESID 84 (V): CA 58.875 58.875 60.873 -1.998 RESID 84 (V): CB 34.417 34.417 32.830 1.587 RESID 84 (V): H 7.052 7.052 7.227 -0.175 RESID 85 (Q): N 119.223 119.223 115.731 3.492 RESID 85 (Q): HA 4.410 4.410 4.583 -0.173 RESID 85 (Q): CA 54.350 54.350 56.264 -1.914 RESID 85 (Q): CB 26.663 26.663 29.558 -2.895 RESID 85 (Q): H 8.687 8.687 8.456 0.231 RESID 86 (P): HA 4.345 4.345 4.320 0.025 RESID 86 (P): CA 62.130 62.130 63.576 -1.446 RESID 86 (P): CB 32.330 32.330 30.445 1.885 RESID 87 (A): N 118.968 118.968 129.685 -10.717 RESID 87 (A): HA 4.177 4.177 3.899 0.278 RESID 87 (A): C 177.901 177.901 176.813 1.088 RESID 87 (A): CA 54.580 54.580 53.450 1.130 RESID 87 (A): CB 18.675 18.675 18.485 0.190 RESID 87 (A): H 8.949 8.949 8.081 0.868 RESID 88 (D): N 114.859 114.859 115.610 -0.751 RESID 88 (D): HA 5.032 5.032 4.351 0.681 RESID 88 (D): C 177.564 177.564 176.919 0.645 RESID 88 (D): CA 54.500 54.500 56.309 -1.809 RESID 88 (D): CB 43.027 43.027 39.877 3.150 RESID 88 (D): H 8.201 8.201 8.860 -0.659 RESID 89 (K): N 124.691 124.691 117.388 7.303 RESID 89 (K): HA 3.367 3.367 4.047 -0.680 RESID 89 (K): C 177.108 177.108 178.849 -1.741 RESID 89 (K): CA 62.300 62.300 58.585 3.715 RESID 89 (K): CB 32.541 32.541 32.575 -0.034 RESID 89 (K): H 7.553 7.553 8.135 -0.582 RESID 90 (Y): N 119.522 119.522 122.585 -3.063 RESID 90 (Y): HA 4.226 4.226 4.716 -0.490 RESID 90 (Y): C 175.856 175.856 177.113 -1.257 RESID 90 (Y): CA 62.070 62.070 60.832 1.238 RESID 90 (Y): CB 37.336 37.336 38.530 -1.194 RESID 90 (Y): H 9.244 9.244 8.121 1.123 RESID 91 (R): N 118.233 118.233 118.110 0.123 RESID 91 (R): HA 3.603 3.603 4.012 -0.409 RESID 91 (R): C 179.347 179.347 178.032 1.315 RESID 91 (R): CA 59.173 59.173 58.995 0.178 RESID 91 (R): CB 29.209 29.209 29.970 -0.761 RESID 91 (R): H 8.973 8.973 8.778 0.195 RESID 92 (T): N 116.043 116.043 114.214 1.829 RESID 92 (T): HA 3.912 3.912 4.203 -0.291 RESID 92 (T): C 176.425 176.425 176.256 0.169 RESID 92 (T): CA 67.061 67.061 65.114 1.947 RESID 92 (T): CB 68.762 68.762 68.365 0.397 RESID 92 (T): H 7.949 7.949 7.472 0.477 RESID 93 (F): N 125.587 125.587 123.190 2.397 RESID 93 (F): HA 3.764 3.764 4.136 -0.372 RESID 93 (F): C 177.008 177.008 177.905 -0.897 RESID 93 (F): CA 62.783 62.783 62.322 0.461 RESID 93 (F): CB 39.771 39.771 38.284 1.487 RESID 93 (F): H 9.047 9.047 7.450 1.597 RESID 94 (V): N 118.057 118.057 118.172 -0.115 RESID 94 (V): HA 3.285 3.285 3.854 -0.569 RESID 94 (V): C 179.641 179.641 178.388 1.253 RESID 94 (V): CA 67.046 67.046 65.936 1.110 RESID 94 (V): CB 31.890 31.890 31.326 0.564 RESID 94 (V): H 8.540 8.540 7.558 0.982 RESID 95 (A): N 121.659 121.659 121.102 0.557 RESID 95 (A): HA 4.076 4.076 4.018 0.058 RESID 95 (A): C 180.431 180.431 179.885 0.546 RESID 95 (A): CA 55.002 55.002 55.312 -0.310 RESID 95 (A): CB 18.135 18.135 18.105 0.031 RESID 95 (A): H 8.056 8.056 7.651 0.405 RESID 96 (T): N 115.396 115.396 115.619 -0.223 RESID 96 (T): HA 4.197 4.197 4.072 0.125 RESID 96 (T): C 176.605 176.605 176.410 0.195 RESID 96 (T): CA 68.450 68.450 66.240 2.210 RESID 96 (T): CB 66.738 66.738 68.963 -2.225 RESID 96 (T): H 7.904 7.904 8.380 -0.476 RESID 97 (F): N 123.502 123.502 122.749 0.753 RESID 97 (F): HA 3.628 3.628 4.126 -0.498 RESID 97 (F): C 177.130 177.130 177.116 0.014 RESID 97 (F): CA 61.883 61.883 60.952 0.931 RESID 97 (F): CB 39.300 39.300 38.819 0.481 RESID 97 (F): H 9.024 9.024 8.129 0.895 RESID 98 (G): N 107.348 107.348 106.628 0.720 RESID 98 (G): C 175.718 175.718 175.014 0.704 RESID 98 (G): CA 46.926 46.926 47.223 -0.297 RESID 98 (G): H 8.476 8.476 8.533 -0.057 RESID 99 (A): N 122.344 122.344 124.420 -2.076 RESID 99 (A): HA 4.130 4.130 4.067 0.063 RESID 99 (A): C 180.299 180.299 179.327 0.972 RESID 99 (A): CA 54.856 54.856 54.533 0.323 RESID 99 (A): CB 17.755 17.755 18.146 -0.391 RESID 99 (A): H 7.404 7.404 7.520 -0.116 RESID 100 (A): N 121.274 121.274 121.244 0.030 RESID 100 (A): HA 4.207 4.207 3.913 0.294 RESID 100 (A): C 181.140 181.140 179.468 1.672 RESID 100 (A): CA 54.496 54.496 55.047 -0.551 RESID 100 (A): CB 17.543 17.543 17.802 -0.259 RESID 100 (A): H 9.009 9.009 7.651 1.358 RESID 101 (S): N 116.676 116.676 113.434 3.242 RESID 101 (S): HA 4.202 4.202 4.168 0.034 RESID 101 (S): C 176.687 176.687 176.534 0.153 RESID 101 (S): CA 68.500 68.500 61.218 7.282 RESID 101 (S): CB 67.022 67.022 62.482 4.540 RESID 101 (S): H 7.861 7.861 7.660 0.201 RESID 102 (N): HA 4.281 4.281 4.306 -0.025 RESID 102 (N): CA 55.960 55.960 55.937 0.023 RESID 102 (N): CB 37.701 37.701 37.746 -0.045 RESID 103 (K): N 120.130 120.130 121.675 -1.545 RESID 103 (K): HA 4.009 4.009 3.995 0.014 RESID 103 (K): C 177.809 177.809 178.312 -0.503 RESID 103 (K): CA 59.437 59.437 58.857 0.580 RESID 103 (K): CB 32.638 32.638 32.024 0.614 RESID 103 (K): H 7.716 7.716 8.125 -0.409 RESID 104 (A): N 121.097 121.097 122.007 -0.910 RESID 104 (A): HA 3.994 3.994 4.055 -0.061 RESID 104 (A): C 180.119 180.119 179.669 0.450 RESID 104 (A): CA 54.666 54.666 55.253 -0.587 RESID 104 (A): CB 18.369 18.369 18.449 -0.080 RESID 104 (A): H 7.762 7.762 7.529 0.233 RESID 105 (F): N 116.920 116.920 118.577 -1.657 RESID 105 (F): HA 4.231 4.231 4.172 0.059 RESID 105 (F): C 177.950 177.950 178.689 -0.739 RESID 105 (F): CA 59.775 59.775 60.639 -0.864 RESID 105 (F): CB 38.380 38.380 38.478 -0.098 RESID 105 (F): H 8.508 8.508 8.935 -0.427 RESID 106 (A): N 121.978 121.978 120.122 1.856 RESID 106 (A): HA 4.180 4.180 4.220 -0.040 RESID 106 (A): CA 54.164 54.164 53.987 0.177 RESID 106 (A): CB 18.482 18.482 18.326 0.156 RESID 106 (A): H 7.885 7.885 8.440 -0.555 RESID 107 (E): N 118.006 118.006 119.726 -1.720 RESID 107 (E): HA 4.125 4.125 4.190 -0.065 RESID 107 (E): C 177.933 177.933 178.284 -0.351 RESID 107 (E): CA 57.663 57.663 58.099 -0.436 RESID 107 (E): CB 30.205 30.205 29.711 0.494 RESID 107 (E): H 7.991 7.991 7.943 0.048 RESID 108 (G): N 108.097 108.097 106.265 1.832 RESID 108 (G): C 174.327 174.327 174.270 0.057 RESID 108 (G): CA 45.675 45.675 44.538 1.137 RESID 108 (G): H 8.106 8.106 7.806 0.300 RESID 109 (L): N 121.291 121.291 118.981 2.310 RESID 109 (L): HA 4.338 4.338 3.995 0.343 RESID 109 (L): C 177.737 177.737 176.055 1.682 RESID 109 (L): CA 55.404 55.404 55.301 0.103 RESID 109 (L): CB 42.279 42.279 39.978 2.301 RESID 109 (L): H 7.965 7.965 7.624 0.341 RESID 110 (S): N 115.953 115.953 117.931 -1.978 RESID 110 (S): HA 4.350 4.350 4.492 -0.142 RESID 110 (S): C 175.049 175.049 175.574 -0.525 RESID 110 (S): CA 58.898 58.898 59.270 -0.372 RESID 110 (S): CB 63.724 63.724 64.225 -0.501 RESID 110 (S): H 8.243 8.243 8.299 -0.056 RESID 111 (G): N 110.568 110.568 109.823 0.745 RESID 111 (G): C 173.855 173.855 173.751 0.104 RESID 111 (G): CA 45.127 45.127 45.478 -0.351 RESID 111 (G): H 8.392 8.392 8.470 -0.078 RESID 112 (E): N 121.380 121.380 120.129 1.251 RESID 112 (E): HA 4.538 4.538 4.756 -0.218 RESID 112 (E): CA 54.191 54.191 53.412 0.779 RESID 112 (E): CB 29.390 29.390 29.774 -0.384 RESID 112 (E): H 8.060 8.060 8.065 -0.005 RESID 113 (P): HA 4.349 4.349 4.378 -0.029 RESID 113 (P): CA 63.375 63.375 63.435 -0.060 RESID 113 (P): CB 32.052 32.052 32.699 -0.647 RESID 114 (K): N 121.571 121.571 122.120 -0.549 RESID 114 (K): HA 4.246 4.246 4.415 -0.169 RESID 114 (K): C 177.324 177.324 177.157 0.167 RESID 114 (K): CA 56.277 56.277 56.073 0.204 RESID 114 (K): CB 32.803 32.803 32.936 -0.133 RESID 114 (K): H 8.536 8.536 8.729 -0.193 RESID 115 (G): N 110.197 110.197 108.696 1.501 RESID 115 (G): C 174.102 174.102 173.840 0.262 RESID 115 (G): CA 45.232 45.232 44.195 1.037 RESID 115 (G): H 8.490 8.490 7.878 0.612 RESID 116 (A): N 123.966 123.966 121.799 2.167 RESID 116 (A): HA 4.210 4.210 3.982 0.228 RESID 116 (A): C 178.191 178.191 177.065 1.126 RESID 116 (A): CA 53.081 53.081 52.402 0.679 RESID 116 (A): CB 19.458 19.458 17.677 1.781 RESID 116 (A): H 8.205 8.205 8.217 -0.012 RESID 117 (A): N 122.628 122.628 121.768 0.860 RESID 117 (A): HA 4.199 4.199 3.957 0.242 RESID 117 (A): C 178.499 178.499 176.931 1.568 RESID 117 (A): CA 53.146 53.146 52.608 0.538 RESID 117 (A): CB 19.106 19.106 18.612 0.494 RESID 117 (A): H 8.429 8.429 7.851 0.578 RESID 118 (E): N 119.797 119.797 118.497 1.300 RESID 118 (E): HA 4.199 4.199 3.981 0.218 RESID 118 (E): C 177.223 177.223 175.601 1.622 RESID 118 (E): CA 57.387 57.387 57.639 -0.252 RESID 118 (E): CB 30.168 30.168 28.876 1.292 RESID 118 (E): H 8.451 8.451 8.861 -0.410 RESID 119 (S): N 116.850 116.850 111.594 5.256 RESID 119 (S): HA 4.397 4.397 4.537 -0.140 RESID 119 (S): C 175.564 175.564 175.200 0.364 RESID 119 (S): CA 58.914 58.914 58.477 0.437 RESID 119 (S): CB 63.487 63.487 64.005 -0.518 RESID 119 (S): H 8.432 8.432 8.025 0.407 RESID 120 (S): N 118.812 118.812 118.820 -0.008 RESID 120 (S): HA 4.330 4.330 4.405 -0.075 RESID 120 (S): C 176.421 176.421 176.472 -0.051 RESID 120 (S): CA 59.906 59.906 60.967 -1.061 RESID 120 (S): CB 63.110 63.110 62.911 0.199 RESID 120 (S): H 8.559 8.559 8.494 0.065 RESID 121 (S): N 118.669 118.669 117.261 1.408 RESID 121 (S): HA 4.288 4.288 4.379 -0.091 RESID 121 (S): C 176.593 176.593 176.437 0.156 RESID 121 (S): CA 60.439 60.439 60.957 -0.518 RESID 121 (S): CB 62.780 62.780 63.050 -0.270 RESID 121 (S): H 8.462 8.462 8.369 0.093 RESID 122 (K): N 123.978 123.978 121.740 2.238 RESID 122 (K): HA 4.060 4.060 4.019 0.041 RESID 122 (K): CA 59.263 59.263 59.194 0.069 RESID 122 (K): CB 32.296 32.296 32.279 0.017 RESID 122 (K): H 8.212 8.212 8.224 -0.012 RESID 123 (A): N 123.450 123.450 121.876 1.574 RESID 123 (A): HA 4.136 4.136 4.166 -0.030 RESID 123 (A): CA 54.330 54.330 54.983 -0.653 RESID 123 (A): CB 18.320 18.320 18.294 0.026 RESID 123 (A): H 8.209 8.209 7.508 0.701 RESID 124 (A): N 121.680 121.680 121.595 0.085 RESID 124 (A): HA 4.105 4.105 4.043 0.062 RESID 124 (A): CA 54.550 54.550 54.955 -0.405 RESID 124 (A): CB 18.260 18.260 18.159 0.101 RESID 124 (A): H 8.093 8.093 7.612 0.481 RESID 125 (L): N 120.426 120.426 118.936 1.490 RESID 125 (L): HA 4.072 4.072 4.038 0.034 RESID 125 (L): C 178.680 178.680 178.744 -0.064 RESID 125 (L): CA 57.920 57.920 57.800 0.120 RESID 125 (L): CB 41.254 41.254 41.633 -0.379 RESID 125 (L): H 8.091 8.091 7.643 0.448 RESID 126 (T): N 112.939 112.939 112.607 0.332 RESID 126 (T): HA 4.045 4.045 3.984 0.061 RESID 126 (T): C 176.662 176.662 176.772 -0.110 RESID 126 (T): CA 68.000 68.000 66.762 1.238 RESID 126 (T): CB 66.703 66.703 68.630 -1.927 RESID 126 (T): H 8.439 8.439 8.152 0.287 RESID 127 (S): N 116.674 116.674 117.488 -0.814 RESID 127 (S): HA 4.230 4.230 4.121 0.109 RESID 127 (S): C 177.500 177.500 176.775 0.725 RESID 127 (S): CA 61.651 61.651 61.599 0.052 RESID 127 (S): CB 62.770 62.770 63.166 -0.396 RESID 127 (S): H 7.830 7.830 8.658 -0.828 RESID 128 (K): N 122.748 122.748 122.521 0.227 RESID 128 (K): HA 4.178 4.178 4.138 0.040 RESID 128 (K): C 180.027 180.027 179.158 0.869 RESID 128 (K): CA 59.720 59.720 58.831 0.889 RESID 128 (K): CB 32.811 32.811 32.142 0.669 RESID 128 (K): H 7.837 7.837 8.086 -0.249 RESID 129 (L): N 122.100 122.100 119.168 2.932 RESID 129 (L): HA 3.680 3.680 4.491 -0.811 RESID 129 (L): C 176.494 176.494 179.151 -2.657 RESID 129 (L): CA 57.837 57.837 56.888 0.949 RESID 129 (L): CB 41.142 41.142 41.258 -0.116 RESID 129 (L): H 8.389 8.389 8.246 0.143 RESID 130 (D): N 117.732 117.732 121.634 -3.902 RESID 130 (D): HA 4.104 4.104 4.589 -0.485 RESID 130 (D): C 178.771 178.771 178.241 0.530 RESID 130 (D): CA 57.828 57.828 57.434 0.394 RESID 130 (D): CB 41.591 41.591 41.111 0.480 RESID 130 (D): H 8.237 8.237 8.849 -0.612 RESID 131 (A): N 119.043 119.043 121.765 -2.722 RESID 131 (A): HA 4.031 4.031 4.167 -0.136 RESID 131 (A): C 180.501 180.501 179.701 0.800 RESID 131 (A): CA 55.080 55.080 55.292 -0.212 RESID 131 (A): CB 17.836 17.836 18.372 -0.536 RESID 131 (A): H 7.701 7.701 8.360 -0.659 RESID 132 (A): N 123.553 123.553 121.205 2.348 RESID 132 (A): HA 4.097 4.097 4.127 -0.030 RESID 132 (A): C 179.369 179.369 179.214 0.155 RESID 132 (A): CA 54.773 54.773 54.896 -0.123 RESID 132 (A): CB 18.260 18.260 18.260 -0.000 RESID 132 (A): H 7.862 7.862 7.855 0.007 RESID 133 (Y): N 119.392 119.392 120.531 -1.139 RESID 133 (Y): HA 4.127 4.127 4.097 0.030 RESID 133 (Y): C 180.484 180.484 177.885 2.599 RESID 133 (Y): CA 57.910 57.910 62.148 -4.238 RESID 133 (Y): CB 35.838 35.838 38.568 -2.730 RESID 133 (Y): H 8.847 8.847 7.799 1.048 RESID 134 (K): N 121.044 121.044 119.612 1.432 RESID 134 (K): HA 4.212 4.212 4.094 0.118 RESID 134 (K): C 178.998 178.998 179.168 -0.170 RESID 134 (K): CA 59.861 59.861 58.521 1.340 RESID 134 (K): CB 32.553 32.553 32.259 0.294 RESID 134 (K): H 8.298 8.298 8.132 0.166 RESID 135 (L): N 122.293 122.293 120.748 1.545 RESID 135 (L): HA 4.201 4.201 4.065 0.136 RESID 135 (L): C 180.381 180.381 178.314 2.067 RESID 135 (L): CA 57.871 57.871 57.683 0.188 RESID 135 (L): CB 41.852 41.852 41.475 0.377 RESID 135 (L): H 8.207 8.207 8.514 -0.307 RESID 136 (A): N 124.897 124.897 121.937 2.960 RESID 136 (A): HA 3.736 3.736 4.073 -0.337 RESID 136 (A): C 178.374 178.374 179.563 -1.189 RESID 136 (A): CA 56.103 56.103 54.879 1.224 RESID 136 (A): CB 17.563 17.563 18.361 -0.798 RESID 136 (A): H 8.614 8.614 8.507 0.107 RESID 137 (Y): N 118.204 118.204 119.320 -1.116 RESID 137 (Y): HA 4.334 4.334 2.875 1.459 RESID 137 (Y): C 177.390 177.390 177.800 -0.410 RESID 137 (Y): CA 62.357 62.357 60.178 2.179 RESID 137 (Y): CB 38.728 38.728 38.033 0.695 RESID 137 (Y): H 8.320 8.320 7.943 0.377 RESID 138 (K): N 119.255 119.255 120.379 -1.124 RESID 138 (K): HA 3.897 3.897 3.675 0.222 RESID 138 (K): C 179.695 179.695 178.731 0.964 RESID 138 (K): CA 59.242 59.242 58.620 0.622 RESID 138 (K): CB 32.309 32.309 32.026 0.283 RESID 138 (K): H 8.722 8.722 8.325 0.397 RESID 139 (T): N 116.244 116.244 110.161 6.083 RESID 139 (T): HA 4.120 4.120 3.997 0.123 RESID 139 (T): C 176.563 176.563 175.474 1.089 RESID 139 (T): CA 68.750 68.750 64.199 4.551 RESID 139 (T): CB 66.863 66.863 68.979 -2.116 RESID 139 (T): H 8.368 8.368 7.849 0.519 RESID 140 (A): N 124.310 124.310 123.057 1.253 RESID 140 (A): HA 3.884 3.884 3.890 -0.006 RESID 140 (A): C 179.123 179.123 178.523 0.600 RESID 140 (A): CA 54.887 54.887 53.919 0.968 RESID 140 (A): CB 19.489 19.489 18.640 0.849 RESID 140 (A): H 8.207 8.207 7.273 0.934 RESID 141 (E): N 117.572 117.572 117.752 -0.180 RESID 141 (E): HA 3.696 3.696 3.885 -0.190 RESID 141 (E): C 177.623 177.623 178.073 -0.450 RESID 141 (E): CA 58.472 58.472 57.767 0.705 RESID 141 (E): CB 29.633 29.633 29.746 -0.113 RESID 141 (E): H 8.324 8.324 7.412 0.912 RESID 142 (G): N 103.520 103.520 107.111 -3.591 RESID 142 (G): C 173.480 173.480 172.645 0.835 RESID 142 (G): CA 44.841 44.841 44.239 0.602 RESID 142 (G): H 7.333 7.333 7.487 -0.154 RESID 143 (A): N 124.154 124.154 124.973 -0.819 RESID 143 (A): HA 4.475 4.475 4.716 -0.241 RESID 143 (A): C 177.290 177.290 176.151 1.139 RESID 143 (A): CA 50.615 50.615 51.271 -0.656 RESID 143 (A): CB 19.859 19.859 20.132 -0.273 RESID 143 (A): H 7.339 7.339 7.453 -0.114 RESID 144 (T): N 112.353 112.353 115.793 -3.440 RESID 144 (T): HA 4.431 4.431 4.807 -0.376 RESID 144 (T): C 174.105 174.105 172.974 1.131 RESID 144 (T): CA 60.634 60.634 58.601 2.033 RESID 144 (T): CB 67.394 67.394 68.907 -1.513 RESID 144 (T): H 8.116 8.116 8.280 -0.164 RESID 145 (P): HA 3.914 3.914 4.460 -0.546 RESID 145 (P): C 179.300 179.300 176.577 2.723 RESID 145 (P): CA 66.875 66.875 62.921 3.954 RESID 145 (P): CB 32.327 32.327 32.302 0.025 RESID 146 (E): N 116.397 116.397 117.148 -0.751 RESID 146 (E): HA 4.178 4.178 4.040 0.138 RESID 146 (E): C 176.426 176.426 175.199 1.227 RESID 146 (E): CA 58.746 58.746 57.075 1.671 RESID 146 (E): CB 28.347 28.347 29.329 -0.982 RESID 146 (E): H 9.340 9.340 8.945 0.395 RESID 147 (A): N 123.484 123.484 119.008 4.476 RESID 147 (A): HA 4.678 4.678 4.495 0.183 RESID 147 (A): C 177.808 177.808 176.876 0.932 RESID 147 (A): CA 52.028 52.028 52.045 -0.017 RESID 147 (A): CB 20.943 20.943 19.826 1.117 RESID 147 (A): H 7.984 7.984 7.526 0.458 RESID 148 (K): N 120.663 120.663 119.834 0.829 RESID 148 (K): HA 3.465 3.465 4.135 -0.670 RESID 148 (K): C 177.165 177.165 177.306 -0.141 RESID 148 (K): CA 61.675 61.675 58.645 3.030 RESID 148 (K): CB 33.075 33.075 32.007 1.068 RESID 148 (K): H 7.285 7.285 8.513 -1.228 RESID 149 (Y): N 118.061 118.061 119.280 -1.219 RESID 149 (Y): HA 4.059 4.059 4.314 -0.255 RESID 149 (Y): C 175.368 175.368 178.133 -2.765 RESID 149 (Y): CA 62.206 62.206 61.729 0.477 RESID 149 (Y): CB 37.386 37.386 37.697 -0.311 RESID 149 (Y): H 8.793 8.793 7.999 0.794 RESID 150 (D): N 118.180 118.180 119.289 -1.109 RESID 150 (D): HA 3.820 3.820 4.317 -0.497 RESID 150 (D): C 178.927 178.927 177.978 0.949 RESID 150 (D): CA 57.373 57.373 57.117 0.256 RESID 150 (D): CB 40.511 40.511 40.257 0.254 RESID 150 (D): H 8.442 8.442 8.370 0.072 RESID 152 (Y): HA 3.803 3.803 4.181 -0.378 RESID 152 (Y): C 176.950 176.950 177.751 -0.801 RESID 152 (Y): CA 62.480 62.480 59.505 2.975 RESID 152 (Y): CB 39.180 39.180 38.033 1.147 RESID 153 (V): N 116.500 116.500 119.129 -2.629 RESID 153 (V): HA 2.980 2.980 3.085 -0.105 RESID 153 (V): C 178.920 178.920 178.162 0.758 RESID 153 (V): CA 66.800 66.800 65.693 1.107 RESID 153 (V): CB 31.730 31.730 31.114 0.616 RESID 153 (V): H 8.126 8.126 8.244 -0.118 RESID 154 (A): N 122.151 122.151 121.221 0.930 RESID 154 (A): HA 3.981 3.981 4.035 -0.054 RESID 154 (A): C 176.909 176.909 179.587 -2.678 RESID 154 (A): CA 55.037 55.037 55.374 -0.337 RESID 154 (A): CB 18.243 18.243 18.116 0.127 RESID 154 (A): H 8.363 8.363 8.688 -0.325 RESID 155 (T): N 114.478 114.478 116.810 -2.332 RESID 155 (T): HA 3.807 3.807 3.996 -0.189 RESID 155 (T): C 176.582 176.582 176.279 0.303 RESID 155 (T): CA 66.731 66.731 67.206 -0.475 RESID 155 (T): CB 68.550 68.550 68.624 -0.074 RESID 155 (T): H 7.590 7.590 7.848 -0.258 RESID 156 (L): N 122.590 122.590 120.036 2.554 RESID 156 (L): HA 3.873 3.873 4.147 -0.274 RESID 156 (L): CA 57.829 57.829 57.630 0.199 RESID 156 (L): CB 42.149 42.149 41.389 0.760 RESID 156 (L): H 8.449 8.449 7.806 0.643 RESID 157 (S): N 112.486 112.486 115.589 -3.103 RESID 157 (S): HA 3.873 3.873 4.141 -0.268 RESID 157 (S): C 177.485 177.485 176.464 1.021 RESID 157 (S): CA 62.556 62.556 61.752 0.804 RESID 157 (S): CB 61.390 61.390 62.591 -1.201 RESID 157 (S): H 8.705 8.705 7.797 0.908 RESID 158 (E): N 121.019 121.019 122.702 -1.683 RESID 158 (E): HA 4.124 4.124 4.010 0.114 RESID 158 (E): C 177.558 177.558 178.538 -0.980 RESID 158 (E): CA 58.615 58.615 59.267 -0.652 RESID 158 (E): CB 29.232 29.232 29.637 -0.405 RESID 158 (E): H 7.408 7.408 7.737 -0.329 RESID 159 (A): N 120.731 120.731 121.879 -1.148 RESID 159 (A): HA 4.121 4.121 4.049 0.072 RESID 159 (A): C 181.006 181.006 179.554 1.452 RESID 159 (A): CA 55.181 55.181 55.346 -0.165 RESID 159 (A): CB 18.546 18.546 18.599 -0.053 RESID 159 (A): H 7.803 7.803 8.128 -0.325 RESID 160 (L): N 116.637 116.637 119.852 -3.215 RESID 160 (L): HA 3.901 3.901 4.172 -0.271 RESID 160 (L): C 179.216 179.216 178.665 0.551 RESID 160 (L): CA 57.843 57.843 57.510 0.333 RESID 160 (L): CB 41.050 41.050 41.917 -0.868 RESID 160 (L): H 8.670 8.670 8.144 0.526 RESID 161 (R): N 121.986 121.986 119.268 2.718 RESID 161 (R): HA 3.908 3.908 4.099 -0.191 RESID 161 (R): C 179.790 179.790 179.332 0.458 RESID 161 (R): CA 59.657 59.657 59.200 0.457 RESID 161 (R): CB 29.935 29.935 30.366 -0.432 RESID 161 (R): H 7.914 7.914 8.565 -0.651 RESID 162 (I): N 120.810 120.810 121.391 -0.581 RESID 162 (I): HA 3.683 3.683 3.786 -0.103 RESID 162 (I): C 179.685 179.685 176.745 2.940 RESID 162 (I): CA 64.321 64.321 64.081 0.241 RESID 162 (I): CB 37.832 37.832 38.076 -0.244 RESID 162 (I): H 7.895 7.895 8.424 -0.529 RESID 163 (I): HA 3.560 3.560 3.666 -0.106 RESID 163 (I): CA 65.367 65.367 64.830 0.537 RESID 163 (I): CB 38.510 38.510 37.725 0.785 RESID 164 (A): N 121.450 121.450 120.197 1.253 RESID 164 (A): HA 3.938 3.938 4.147 -0.209 RESID 164 (A): C 179.920 179.920 179.110 0.810 RESID 164 (A): CA 55.090 55.090 54.348 0.742 RESID 164 (A): CB 18.170 18.170 18.273 -0.103 RESID 164 (A): H 8.525 8.525 7.712 0.813 RESID 165 (G): N 104.876 104.876 105.793 -0.917 RESID 165 (G): C 175.831 175.831 175.728 0.103 RESID 165 (G): CA 46.602 46.602 46.174 0.428 RESID 165 (G): H 7.921 7.921 7.683 0.238 RESID 166 (T): N 111.734 111.734 116.096 -4.362 RESID 166 (T): HA 4.306 4.306 4.168 0.138 RESID 166 (T): C 175.095 175.095 176.028 -0.933 RESID 166 (T): CA 63.000 63.000 66.030 -3.030 RESID 166 (T): CB 69.795 69.795 69.128 0.667 RESID 166 (T): H 7.786 7.786 8.064 -0.278 RESID 167 (L): N 121.291 121.291 119.699 1.592 RESID 167 (L): HA 4.262 4.262 4.151 0.111 RESID 167 (L): C 177.004 177.004 177.343 -0.339 RESID 167 (L): CA 55.040 55.040 56.738 -1.698 RESID 167 (L): CB 42.292 42.292 42.278 0.014 RESID 167 (L): H 7.456 7.456 7.464 -0.008 RESID 168 (E): N 119.686 119.686 117.412 2.274 RESID 168 (E): HA 4.151 4.151 4.369 -0.218 RESID 168 (E): C 176.001 176.001 176.567 -0.566 RESID 168 (E): CA 56.210 56.210 55.848 0.362 RESID 168 (E): CB 30.242 30.242 30.669 -0.427 RESID 168 (E): H 7.840 7.840 7.573 0.267 RESID 169 (V): N 120.922 120.922 118.315 2.607 RESID 169 (V): HA 3.979 3.979 3.964 0.015 RESID 169 (V): C 175.876 175.876 176.154 -0.278 RESID 169 (V): CA 56.270 56.270 63.878 -7.608 RESID 169 (V): H 8.060 8.060 8.270 -0.210 RESID 170 (H): N 122.829 122.829 117.247 5.582 RESID 170 (H): HA 4.626 4.626 4.237 0.389 RESID 170 (H): C 174.023 174.023 173.584 0.439 RESID 170 (H): CA 55.025 55.025 56.609 -1.585 RESID 170 (H): CB 29.661 29.661 29.136 0.525 RESID 170 (H): H 8.560 8.560 8.136 0.424 RESID 171 (A): N 125.857 125.857 124.863 0.994 RESID 171 (A): HA 4.206 4.206 4.301 -0.095 RESID 171 (A): C 177.398 177.398 176.380 1.018 RESID 171 (A): CA 52.300 52.300 52.284 0.016 RESID 171 (A): CB 18.300 18.300 20.561 -2.261 RESID 171 (A): H 8.393 8.393 8.215 0.178 RESID 172 (V): N 120.329 120.329 121.298 -0.969 RESID 172 (V): HA 4.011 4.011 4.169 -0.158 RESID 172 (V): C 175.833 175.833 175.280 0.553 RESID 172 (V): CA 61.923 61.923 61.822 0.101 RESID 172 (V): CB 32.550 32.550 32.129 0.421 RESID 172 (V): H 8.238 8.238 7.721 0.517 RESID 173 (K): N 127.029 127.029 124.661 2.368 RESID 173 (K): C 174.205 174.205 174.604 -0.399 RESID 173 (K): CA 54.059 54.059 56.360 -2.301 RESID 173 (K): CB 32.437 32.437 30.292 2.145 RESID 173 (K): H 8.442 8.442 8.610 -0.168 RESID 174 (P): HA 4.322 4.322 4.153 0.169 RESID 174 (P): CA 63.140 63.140 63.460 -0.320 RESID 174 (P): CB 32.320 32.320 32.330 -0.010 RESID 175 (A): N 125.330 125.330 126.071 -0.741 RESID 175 (A): HA 4.189 4.189 4.344 -0.155 RESID 175 (A): C 178.296 178.296 176.314 1.982 RESID 175 (A): CA 53.043 53.043 51.927 1.116 RESID 175 (A): CB 19.376 19.376 20.600 -1.224 RESID 175 (A): H 8.430 8.430 7.716 0.714 RESID 176 (A): N 123.143 123.143 121.880 1.263 RESID 176 (A): HA 4.204 4.204 4.209 -0.005 RESID 176 (A): C 177.718 177.718 176.428 1.290 RESID 176 (A): CA 52.432 52.432 52.974 -0.541 RESID 176 (A): CB 19.500 19.500 18.373 1.127 RESID 176 (A): H 8.326 8.326 8.303 0.023 RESID 177 (E): N 119.752 119.752 118.278 1.474 RESID 177 (E): HA 4.142 4.142 4.563 -0.421 RESID 177 (E): C 176.350 176.350 175.513 0.837 RESID 177 (E): CA 56.302 56.302 55.347 0.954 RESID 177 (E): CB 30.333 30.333 31.688 -1.355 RESID 177 (E): H 8.354 8.354 7.994 0.360 RESID 178 (E): N 122.557 122.557 121.123 1.434 RESID 178 (E): HA 4.193 4.193 4.391 -0.198 RESID 178 (E): C 176.260 176.260 176.006 0.254 RESID 178 (E): CA 56.307 56.307 56.764 -0.457 RESID 178 (E): CB 30.542 30.542 30.073 0.469 RESID 178 (E): H 8.395 8.395 8.549 -0.154 RESID 179 (V): N 122.787 122.787 123.515 -0.728 RESID 179 (V): HA 3.983 3.983 4.211 -0.228 RESID 179 (V): C 175.871 175.871 175.559 0.312 RESID 179 (V): CA 62.225 62.225 61.539 0.686 RESID 179 (V): CB 32.459 32.459 34.010 -1.551 RESID 179 (V): H 8.232 8.232 8.211 0.021 RESID 180 (K): N 126.356 126.356 125.031 1.325 RESID 180 (K): HA 4.315 4.315 4.288 0.027 RESID 180 (K): C 176.090 176.090 176.545 -0.455 RESID 180 (K): CA 55.880 55.880 56.297 -0.417 RESID 180 (K): CB 33.000 33.000 32.612 0.388 RESID 180 (K): H 8.427 8.427 8.478 -0.051 RESID 181 (V): N 122.752 122.752 117.054 5.698 RESID 181 (V): HA 4.043 4.043 3.783 0.260 RESID 181 (V): C 175.754 175.754 175.938 -0.184 RESID 181 (V): CA 61.803 61.803 62.884 -1.081 RESID 181 (V): CB 33.155 33.155 31.919 1.236 RESID 181 (V): H 8.244 8.244 8.185 0.059 RESID 182 (I): N 127.826 127.826 118.242 9.584 RESID 182 (I): C 174.257 174.257 174.866 -0.609 RESID 182 (I): CA 58.244 58.244 59.272 -1.028 RESID 182 (I): CB 38.555 38.555 37.663 0.892 RESID 182 (I): H 8.388 8.388 8.155 0.233 RESID 183 (P): HA 4.330 4.330 4.366 -0.036 RESID 183 (P): C 176.700 176.700 176.257 0.443 RESID 183 (P): CA 63.230 63.230 63.645 -0.415 RESID 183 (P): CB 32.380 32.380 31.856 0.524 RESID 184 (A): N 124.690 124.690 125.958 -1.268 RESID 184 (A): HA 4.193 4.193 4.511 -0.318 RESID 184 (A): C 178.758 178.758 177.564 1.194 RESID 184 (A): CA 53.320 53.320 51.705 1.615 RESID 184 (A): CB 19.340 19.340 19.477 -0.137 RESID 184 (A): H 8.485 8.485 8.314 0.171 RESID 185 (G): N 107.324 107.324 106.511 0.813 RESID 185 (G): C 174.758 174.758 175.490 -0.732 RESID 185 (G): CA 45.717 45.717 45.333 0.384 RESID 185 (G): H 8.527 8.527 8.117 0.410 RESID 186 (E): N 120.410 120.410 119.882 0.528 RESID 186 (E): HA 4.170 4.170 4.435 -0.265 RESID 186 (E): C 177.470 177.470 177.957 -0.487 RESID 186 (E): CA 57.890 57.890 58.054 -0.164 RESID 186 (E): CB 30.180 30.180 29.284 0.896 RESID 186 (E): H 8.262 8.262 8.233 0.029 RESID 187 (L): N 121.652 121.652 119.327 2.325 RESID 187 (L): HA 4.140 4.140 4.254 -0.114 RESID 187 (L): C 178.002 178.002 179.222 -1.220 RESID 187 (L): CA 56.458 56.458 57.113 -0.655 RESID 187 (L): CB 42.056 42.056 41.062 0.994 RESID 187 (L): H 8.247 8.247 8.071 0.176 RESID 188 (Q): N 119.063 119.063 119.867 -0.804 RESID 188 (Q): HA 4.205 4.205 4.024 0.181 RESID 188 (Q): C 177.544 177.544 177.971 -0.427 RESID 188 (Q): CA 57.584 57.584 59.120 -1.536 RESID 188 (Q): CB 28.421 28.421 28.496 -0.075 RESID 188 (Q): H 8.377 8.377 8.146 0.231 RESID 189 (V): N 118.808 118.808 119.662 -0.854 RESID 189 (V): HA 3.680 3.680 3.767 -0.087 RESID 189 (V): C 177.439 177.439 177.258 0.181 RESID 189 (V): CA 65.376 65.376 64.871 0.505 RESID 189 (V): CB 31.970 31.970 31.077 0.893 RESID 189 (V): H 7.872 7.872 7.635 0.237 RESID 190 (I): N 120.522 120.522 120.230 0.292 RESID 190 (I): HA 3.694 3.694 3.713 -0.019 RESID 190 (I): C 177.364 177.364 176.849 0.515 RESID 190 (I): CA 63.323 63.323 63.316 0.007 RESID 190 (I): CB 36.643 36.643 37.705 -1.062 RESID 190 (I): H 8.119 8.119 7.418 0.701 RESID 191 (E): N 120.185 120.185 119.894 0.291 RESID 191 (E): HA 4.141 4.141 3.941 0.200 RESID 191 (E): C 179.310 179.310 178.939 0.371 RESID 191 (E): CA 59.756 59.756 59.881 -0.125 RESID 191 (E): CB 29.276 29.276 29.211 0.065 RESID 191 (E): H 8.175 8.175 8.656 -0.481 RESID 192 (K): N 118.771 118.771 119.183 -0.412 RESID 192 (K): HA 4.211 4.211 4.119 0.092 RESID 192 (K): C 178.933 178.933 178.887 0.046 RESID 192 (K): CA 58.020 58.020 58.919 -0.899 RESID 192 (K): CB 31.710 31.710 32.330 -0.620 RESID 192 (K): H 7.720 7.720 7.503 0.217 RESID 193 (V): N 121.979 121.979 120.095 1.884 RESID 193 (V): HA 3.537 3.537 3.704 -0.167 RESID 193 (V): C 176.912 176.912 177.696 -0.784 RESID 193 (V): CA 66.974 66.974 66.874 0.100 RESID 193 (V): CB 31.451 31.451 31.217 0.234 RESID 193 (V): H 8.336 8.336 7.528 0.808 RESID 194 (D): N 121.596 121.596 119.665 1.931 RESID 194 (D): HA 4.396 4.396 4.452 -0.056 RESID 194 (D): C 178.097 178.097 178.290 -0.193 RESID 194 (D): CA 57.899 57.899 57.329 0.570 RESID 194 (D): CB 41.740 41.740 40.701 1.039 RESID 194 (D): H 8.588 8.588 7.736 0.852 RESID 195 (A): N 119.998 119.998 121.969 -1.971 RESID 195 (A): HA 4.101 4.101 4.170 -0.069 RESID 195 (A): C 180.638 180.638 180.014 0.624 RESID 195 (A): CA 55.393 55.393 54.920 0.473 RESID 195 (A): CB 17.915 17.915 18.357 -0.442 RESID 195 (A): H 7.834 7.834 7.389 0.445 RESID 196 (A): N 121.520 121.520 121.495 0.025 RESID 196 (A): HA 4.043 4.043 4.073 -0.030 RESID 196 (A): C 178.986 178.986 179.348 -0.362 RESID 196 (A): CA 54.730 54.730 54.651 0.079 RESID 196 (A): CB 19.220 19.220 18.180 1.040 RESID 196 (A): H 8.198 8.198 8.506 -0.308 RESID 197 (F): N 120.035 120.035 117.944 2.091 RESID 197 (F): HA 3.861 3.861 4.578 -0.717 RESID 197 (F): C 176.055 176.055 176.964 -0.909 RESID 197 (F): CA 61.833 61.833 60.969 0.864 RESID 197 (F): CB 39.090 39.090 39.757 -0.666 RESID 197 (F): H 9.092 9.092 7.734 1.358 RESID 198 (K): N 118.265 118.265 121.172 -2.907 RESID 198 (K): HA 3.815 3.815 4.155 -0.340 RESID 198 (K): C 180.112 180.112 178.711 1.401 RESID 198 (K): CA 59.826 59.826 60.038 -0.212 RESID 198 (K): CB 32.347 32.347 32.400 -0.053 RESID 198 (K): H 7.863 7.863 8.581 -0.718 RESID 199 (V): N 119.799 119.799 119.846 -0.047 RESID 199 (V): HA 3.623 3.623 3.893 -0.270 RESID 199 (V): C 178.666 178.666 177.293 1.373 RESID 199 (V): CA 66.074 66.074 64.704 1.370 RESID 199 (V): CB 31.831 31.831 31.111 0.720 RESID 199 (V): H 7.580 7.580 7.658 -0.078 RESID 200 (A): N 125.339 125.339 121.801 3.538 RESID 200 (A): HA 3.635 3.635 4.103 -0.468 RESID 200 (A): C 178.388 178.388 178.852 -0.464 RESID 200 (A): CA 54.843 54.843 54.850 -0.007 RESID 200 (A): CB 18.830 18.830 18.253 0.577 RESID 200 (A): H 8.166 8.166 7.324 0.842 RESID 201 (A): N 120.805 120.805 121.237 -0.432 RESID 201 (A): HA 4.000 4.000 4.073 -0.073 RESID 201 (A): C 180.740 180.740 179.587 1.153 RESID 201 (A): CA 54.550 54.550 54.943 -0.393 RESID 201 (A): CB 18.124 18.124 18.586 -0.462 RESID 201 (A): H 7.386 7.386 7.876 -0.490 RESID 202 (T): N 114.816 114.816 112.210 2.606 RESID 202 (T): HA 4.200 4.200 4.034 0.166 RESID 202 (T): C 175.840 175.840 176.872 -1.032 RESID 202 (T): CA 60.920 60.920 65.088 -4.168 RESID 202 (T): CB 62.070 62.070 68.913 -6.843 RESID 202 (T): H 8.322 8.322 7.835 0.487 RESID 203 (A): N 124.550 124.550 122.883 1.667 RESID 203 (A): HA 3.989 3.989 4.036 -0.047 RESID 203 (A): C 180.575 180.575 179.114 1.461 RESID 203 (A): CA 55.042 55.042 54.560 0.482 RESID 203 (A): CB 17.675 17.675 17.895 -0.220 RESID 203 (A): H 7.592 7.592 7.859 -0.267 RESID 204 (A): N 121.361 121.361 119.261 2.100 RESID 204 (A): HA 4.187 4.187 4.093 0.094 RESID 204 (A): C 179.867 179.867 178.713 1.154 RESID 204 (A): CA 55.224 55.224 53.800 1.424 RESID 204 (A): CB 18.791 18.791 18.516 0.275 RESID 204 (A): H 8.758 8.758 7.576 1.182 RESID 205 (N): N 115.185 115.185 117.905 -2.720 RESID 205 (N): HA 4.189 4.189 4.373 -0.184 RESID 205 (N): C 175.555 175.555 177.097 -1.542 RESID 205 (N): CA 56.410 56.410 55.449 0.961 RESID 205 (N): CB 39.066 39.066 38.116 0.950 RESID 205 (N): H 8.220 8.220 8.214 0.006 RESID 206 (A): N 117.946 117.946 120.593 -2.647 RESID 206 (A): HA 4.270 4.270 4.167 0.103 RESID 206 (A): C 176.827 176.827 177.602 -0.775 RESID 206 (A): CA 56.138 56.138 53.117 3.021 RESID 206 (A): CB 18.200 18.200 18.995 -0.795 RESID 206 (A): H 6.965 6.965 7.380 -0.415 RESID 207 (A): N 122.916 122.916 122.236 0.680 RESID 207 (A): HA 4.600 4.600 4.265 0.335 RESID 207 (A): C 174.478 174.478 175.995 -1.517 RESID 207 (A): CA 50.196 50.196 50.581 -0.385 RESID 207 (A): CB 18.287 18.287 18.177 0.110 RESID 207 (A): H 7.240 7.240 7.447 -0.207 RESID 208 (P): HA 4.373 4.373 4.305 0.068 RESID 208 (P): C 177.440 177.440 176.369 1.071 RESID 208 (P): CA 62.600 62.600 62.695 -0.095 RESID 208 (P): CB 32.243 32.243 32.275 -0.032 RESID 209 (A): N 122.883 122.883 119.952 2.931 RESID 209 (A): HA 3.726 3.726 4.082 -0.356 RESID 209 (A): C 179.474 179.474 177.589 1.885 RESID 209 (A): CA 56.155 56.155 54.609 1.546 RESID 209 (A): CB 19.099 19.099 19.048 0.051 RESID 209 (A): H 8.620 8.620 8.340 0.280 RESID 210 (N): N 113.093 113.093 114.297 -1.204 RESID 210 (N): HA 4.519 4.519 4.808 -0.289 RESID 210 (N): C 176.000 176.000 174.834 1.166 RESID 210 (N): CA 55.226 55.226 52.380 2.846 RESID 210 (N): CB 38.057 38.057 40.162 -2.105 RESID 210 (N): H 8.933 8.933 7.885 1.048 RESID 211 (D): N 117.648 117.648 113.773 3.875 RESID 211 (D): HA 5.050 5.050 4.370 0.680 RESID 211 (D): C 175.953 175.953 176.807 -0.854 RESID 211 (D): CA 54.110 54.110 56.489 -2.379 RESID 211 (D): CB 42.936 42.936 39.123 3.812 RESID 211 (D): H 8.111 8.111 8.792 -0.681 RESID 212 (K): N 118.713 118.713 118.800 -0.087 RESID 212 (K): HA 3.324 3.324 3.810 -0.486 RESID 212 (K): C 177.524 177.524 178.137 -0.613 RESID 212 (K): CA 61.984 61.984 59.149 2.835 RESID 212 (K): CB 32.789 32.789 31.993 0.796 RESID 212 (K): H 7.145 7.145 8.464 -1.319 RESID 213 (F): N 113.700 113.700 117.322 -3.622 RESID 213 (F): HA 4.087 4.087 4.222 -0.135 RESID 213 (F): C 178.141 178.141 177.420 0.721 RESID 213 (F): CA 62.473 62.473 62.175 0.298 RESID 213 (F): CB 38.303 38.303 37.730 0.573 RESID 213 (F): H 8.026 8.026 8.266 -0.240 RESID 214 (T): N 115.378 115.378 116.861 -1.483 RESID 214 (T): C 178.124 178.124 176.742 1.382 RESID 214 (T): CA 65.503 65.503 66.867 -1.364 RESID 214 (T): CB 68.803 68.803 68.412 0.391 RESID 214 (T): H 7.917 7.917 8.238 -0.321 RESID 215 (V): N 122.692 122.692 120.482 2.210 RESID 215 (V): HA 3.659 3.659 3.700 -0.041 RESID 215 (V): C 177.771 177.771 177.427 0.344 RESID 215 (V): CA 66.361 66.361 67.002 -0.641 RESID 215 (V): CB 31.360 31.360 31.127 0.233 RESID 215 (V): H 8.430 8.430 8.409 0.021 RESID 216 (F): N 119.847 119.847 121.893 -2.046 RESID 216 (F): HA 3.799 3.799 4.026 -0.227 RESID 216 (F): C 176.989 176.989 177.248 -0.259 RESID 216 (F): CA 62.705 62.705 61.848 0.857 RESID 216 (F): CB 39.327 39.327 38.877 0.450 RESID 216 (F): H 8.651 8.651 7.546 1.105 RESID 217 (E): N 117.144 117.144 119.413 -2.269 RESID 217 (E): HA 3.863 3.863 4.089 -0.226 RESID 217 (E): C 177.894 177.894 179.001 -1.107 RESID 217 (E): CA 61.877 61.877 59.377 2.500 RESID 217 (E): CB 30.062 30.062 29.616 0.446 RESID 217 (E): H 8.650 8.650 8.602 0.048 RESID 218 (A): N 119.130 119.130 122.594 -3.464 RESID 218 (A): HA 4.213 4.213 4.215 -0.002 RESID 218 (A): C 180.238 180.238 179.391 0.847 RESID 218 (A): CA 55.118 55.118 54.832 0.286 RESID 218 (A): CB 18.020 18.020 18.279 -0.259 RESID 218 (A): H 7.759 7.759 7.772 -0.013 RESID 219 (A): N 119.419 119.419 121.629 -2.210 RESID 219 (A): HA 4.146 4.146 3.993 0.153 RESID 219 (A): C 180.499 180.499 179.505 0.994 RESID 219 (A): CA 54.530 54.530 54.508 0.022 RESID 219 (A): CB 18.890 18.890 18.546 0.344 RESID 219 (A): H 8.475 8.475 8.284 0.191 RESID 220 (F): N 120.754 120.754 118.505 2.249 RESID 220 (F): HA 4.196 4.196 3.833 0.363 RESID 220 (F): C 177.427 177.427 177.286 0.141 RESID 220 (F): CA 58.832 58.832 61.631 -2.799 RESID 220 (F): CB 39.740 39.740 38.227 1.513 RESID 220 (F): H 9.026 9.026 8.578 0.448 RESID 221 (N): N 116.941 116.941 116.263 0.678 RESID 221 (N): HA 4.390 4.390 4.436 -0.046 RESID 221 (N): CA 56.230 56.230 55.511 0.719 RESID 221 (N): CB 37.995 37.995 38.558 -0.563 RESID 221 (N): H 8.485 8.485 7.606 0.879 RESID 222 (D): N 119.493 119.493 120.637 -1.144 RESID 222 (D): HA 4.366 4.366 4.497 -0.131 RESID 222 (D): C 178.832 178.832 177.880 0.952 RESID 222 (D): CA 57.697 57.697 57.297 0.400 RESID 222 (D): CB 40.537 40.537 40.973 -0.436 RESID 222 (D): H 8.283 8.283 8.330 -0.047 RESID 223 (A): N 122.201 122.201 121.239 0.962 RESID 223 (A): HA 4.138 4.138 4.038 0.100 RESID 223 (A): CA 54.892 54.892 54.833 0.059 RESID 223 (A): CB 18.251 18.251 18.210 0.041 RESID 223 (A): H 8.175 8.175 8.323 -0.148 RESID 224 (I): N 122.960 122.960 117.464 5.496 RESID 224 (I): HA 3.396 3.396 3.621 -0.225 RESID 224 (I): C 178.030 178.030 177.412 0.618 RESID 224 (I): CA 65.320 65.320 64.371 0.949 RESID 224 (I): CB 38.150 38.150 38.136 0.014 RESID 224 (I): H 8.525 8.525 7.212 1.313 RESID 225 (K): N 124.150 124.150 120.232 3.918 RESID 225 (K): HA 4.130 4.130 4.002 0.128 RESID 225 (K): C 179.190 179.190 178.370 0.820 RESID 225 (K): CA 58.594 58.594 58.905 -0.311 RESID 225 (K): CB 32.489 32.489 32.224 0.265 RESID 225 (K): H 8.457 8.457 7.417 1.040 RESID 226 (A): N 119.804 119.804 120.670 -0.866 RESID 226 (A): HA 4.128 4.128 4.029 0.099 RESID 226 (A): C 181.843 181.843 179.807 2.036 RESID 226 (A): CA 55.012 55.012 54.915 0.097 RESID 226 (A): CB 18.473 18.473 18.248 0.225 RESID 226 (A): H 8.191 8.191 8.574 -0.383 RESID 227 (S): N 113.402 113.402 114.408 -1.006 RESID 227 (S): HA 4.350 4.350 4.367 -0.017 RESID 227 (S): C 176.071 176.071 176.033 0.038 RESID 227 (S): CA 61.259 61.259 60.401 0.858 RESID 227 (S): CB 63.414 63.414 63.836 -0.422 RESID 227 (S): H 8.568 8.568 7.878 0.690 RESID 228 (T): N 109.170 109.170 113.779 -4.609 RESID 228 (T): HA 4.605 4.605 4.516 0.089 RESID 228 (T): CA 61.453 61.453 60.078 1.375 RESID 228 (T): CB 69.732 69.732 67.647 2.084 RESID 228 (T): H 7.804 7.804 7.748 0.056 RESID 229 (G): N 113.451 113.451 110.018 3.433 RESID 229 (G): C 178.132 178.132 175.162 2.970 RESID 229 (G): CA 47.149 47.149 45.965 1.184 RESID 229 (G): H 7.988 7.988 7.565 0.423 RESID 230 (G): N 105.298 105.298 107.984 -2.686 RESID 230 (G): C 173.856 173.856 173.077 0.779 RESID 230 (G): CA 44.492 44.492 44.396 0.096 RESID 230 (G): H 8.792 8.792 8.441 0.351 RESID 231 (A): N 122.893 122.893 125.679 -2.786 RESID 231 (A): HA 3.777 3.777 4.054 -0.277 RESID 231 (A): C 177.041 177.041 175.737 1.304 RESID 231 (A): CA 54.513 54.513 51.962 2.551 RESID 231 (A): CB 18.998 18.998 19.808 -0.810 RESID 231 (A): H 7.467 7.467 7.725 -0.258 RESID 232 (Y): N 112.629 112.629 119.878 -7.249 RESID 232 (Y): HA 4.396 4.396 4.734 -0.338 RESID 232 (Y): C 174.659 174.659 174.390 0.269 RESID 232 (Y): CA 55.932 55.932 56.828 -0.896 RESID 232 (Y): CB 39.848 39.848 38.938 0.910 RESID 232 (Y): H 7.332 7.332 7.699 -0.367 RESID 233 (E): N 117.684 117.684 125.454 -7.770 RESID 233 (E): HA 3.790 3.790 4.181 -0.391 RESID 233 (E): C 174.348 174.348 176.192 -1.844 RESID 233 (E): CA 57.064 57.064 57.386 -0.322 RESID 233 (E): CB 30.734 30.734 29.351 1.383 RESID 233 (E): H 7.995 7.995 8.557 -0.562 RESID 234 (S): N 107.099 107.099 117.597 -10.498 RESID 234 (S): HA 4.495 4.495 4.268 0.227 RESID 234 (S): C 175.141 175.141 174.380 0.761 RESID 234 (S): CA 55.872 55.872 58.487 -2.615 RESID 234 (S): CB 64.988 64.988 62.788 2.200 RESID 234 (S): H 7.318 7.318 7.962 -0.644 RESID 235 (Y): N 119.162 119.162 118.489 0.673 RESID 235 (Y): HA 4.093 4.093 4.401 -0.308 RESID 235 (Y): C 175.305 175.305 174.700 0.605 RESID 235 (Y): CA 59.694 59.694 56.448 3.246 RESID 235 (Y): CB 37.650 37.650 35.630 2.021 RESID 235 (Y): H 8.629 8.629 8.114 0.515 RESID 236 (K): N 118.163 118.163 120.543 -2.380 RESID 236 (K): HA 3.573 3.573 4.473 -0.900 RESID 236 (K): C 176.427 176.427 175.332 1.095 RESID 236 (K): CA 58.000 58.000 55.444 2.556 RESID 236 (K): CB 31.520 31.520 31.855 -0.335 RESID 236 (K): H 7.384 7.384 8.370 -0.986 RESID 237 (F): N 115.377 115.377 114.780 0.597 RESID 237 (F): HA 4.433 4.433 4.423 0.010 RESID 237 (F): C 174.114 174.114 173.609 0.505 RESID 237 (F): CA 57.852 57.852 56.147 1.705 RESID 237 (F): CB 39.745 39.745 39.599 0.146 RESID 237 (F): H 7.258 7.258 7.320 -0.062 RESID 238 (I): N 120.764 120.764 119.169 1.595 RESID 238 (I): HA 4.409 4.409 3.837 0.572 RESID 238 (I): CA 58.300 58.300 60.817 -2.517 RESID 238 (I): CB 38.600 38.600 37.218 1.382 RESID 238 (I): H 7.389 7.389 8.457 -1.068 RESID 239 (P): HA 4.306 4.306 4.220 0.086 RESID 239 (P): C 178.950 178.950 176.954 1.996 RESID 239 (P): CA 66.670 66.670 63.931 2.739 RESID 239 (P): CB 32.190 32.190 31.890 0.300 RESID 240 (A): N 118.854 118.854 121.837 -2.983 RESID 240 (A): HA 4.134 4.134 3.982 0.152 RESID 240 (A): CA 55.031 55.031 53.260 1.771 RESID 240 (A): CB 18.841 18.841 17.792 1.049 RESID 240 (A): H 9.101 9.101 8.541 0.560 RESID 241 (L): N 118.846 118.846 122.064 -3.218 RESID 241 (L): HA 4.250 4.250 3.955 0.295 RESID 241 (L): C 177.407 177.407 177.077 0.330 RESID 241 (L): CA 56.333 56.333 58.520 -2.187 RESID 241 (L): CB 42.390 42.390 42.103 0.287 RESID 241 (L): H 7.731 7.731 7.481 0.250 RESID 242 (E): N 122.048 122.048 119.708 2.340 RESID 242 (E): HA 3.961 3.961 3.613 0.348 RESID 242 (E): C 178.465 178.465 177.874 0.591 RESID 242 (E): CA 60.820 60.820 59.409 1.411 RESID 242 (E): CB 28.886 28.886 28.569 0.317 RESID 242 (E): H 8.705 8.705 8.879 -0.174 RESID 243 (A): N 118.880 118.880 122.330 -3.450 RESID 243 (A): HA 4.038 4.038 4.216 -0.178 RESID 243 (A): C 179.841 179.841 179.207 0.634 RESID 243 (A): CA 54.930 54.930 53.592 1.338 RESID 243 (A): CB 17.700 17.700 18.297 -0.597 RESID 243 (A): H 8.105 8.105 7.678 0.427 RESID 244 (A): N 121.399 121.399 122.103 -0.704 RESID 244 (A): HA 4.037 4.037 3.986 0.051 RESID 244 (A): C 179.839 179.839 179.865 -0.026 RESID 244 (A): CA 55.418 55.418 54.989 0.429 RESID 244 (A): H 7.491 7.491 7.722 -0.231 RESID 245 (V): N 120.239 120.239 117.783 2.456 RESID 245 (V): HA 3.382 3.382 3.676 -0.294 RESID 245 (V): C 177.909 177.909 177.790 0.119 RESID 245 (V): CA 67.163 67.163 66.586 0.577 RESID 245 (V): CB 31.790 31.790 30.957 0.833 RESID 245 (V): H 8.612 8.612 8.382 0.230 RESID 246 (K): N 119.270 119.270 118.595 0.675 RESID 246 (K): HA 4.165 4.165 3.978 0.187 RESID 246 (K): C 180.603 180.603 179.074 1.529 RESID 246 (K): CA 60.553 60.553 59.324 1.230 RESID 246 (K): CB 31.828 31.828 32.104 -0.276 RESID 246 (K): H 8.366 8.366 7.800 0.566 RESID 247 (Q): N 120.085 120.085 117.862 2.223 RESID 247 (Q): HA 4.055 4.055 4.121 -0.066 RESID 247 (Q): C 178.255 178.255 178.086 0.169 RESID 247 (Q): CA 58.524 58.524 58.239 0.285 RESID 247 (Q): CB 28.234 28.234 28.027 0.207 RESID 247 (Q): H 8.302 8.302 7.540 0.762 RESID 248 (A): N 125.463 125.463 122.338 3.125 RESID 248 (A): HA 3.877 3.877 4.048 -0.171 RESID 248 (A): C 179.700 179.700 179.756 -0.056 RESID 248 (A): CA 55.253 55.253 55.172 0.081 RESID 248 (A): CB 18.658 18.658 18.013 0.645 RESID 248 (A): H 8.194 8.194 7.709 0.485 RESID 249 (Y): N 116.381 116.381 114.985 1.396 RESID 249 (Y): HA 4.300 4.300 4.541 -0.241 RESID 249 (Y): C 180.993 180.993 176.988 4.005 RESID 249 (Y): CA 63.361 63.361 59.931 3.430 RESID 249 (Y): CB 38.068 38.068 38.463 -0.395 RESID 249 (Y): H 8.686 8.686 7.750 0.936 RESID 250 (A): N 124.956 124.956 120.873 4.083 RESID 250 (A): HA 4.161 4.161 4.410 -0.249 RESID 250 (A): C 179.621 179.621 177.736 1.885 RESID 250 (A): CA 55.220 55.220 53.313 1.907 RESID 250 (A): CB 17.500 17.500 18.970 -1.470 RESID 250 (A): H 8.448 8.448 7.920 0.528 RESID 251 (A): N 119.409 119.409 120.796 -1.387 RESID 251 (A): HA 4.163 4.163 4.366 -0.203 RESID 251 (A): C 178.588 178.588 179.087 -0.499 RESID 251 (A): CA 55.206 55.206 53.538 1.667 RESID 251 (A): CB 17.804 17.804 19.680 -1.876 RESID 251 (A): H 7.649 7.649 8.225 -0.576 RESID 252 (T): N 106.194 106.194 115.103 -8.909 RESID 252 (T): HA 4.392 4.392 3.801 0.591 RESID 252 (T): C 176.679 176.679 176.962 -0.283 RESID 252 (T): CA 62.376 62.376 65.025 -2.649 RESID 252 (T): CB 70.838 70.838 67.743 3.095 RESID 252 (T): H 7.806 7.806 7.648 0.158 RESID 253 (V): N 121.805 121.805 122.328 -0.523 RESID 253 (V): HA 3.754 3.754 3.614 0.140 RESID 253 (V): C 176.213 176.213 176.394 -0.181 RESID 253 (V): CA 65.339 65.339 65.278 0.061 RESID 253 (V): CB 31.971 31.971 31.523 0.448 RESID 253 (V): H 7.173 7.173 8.129 -0.956 RESID 254 (A): N 122.834 122.834 120.903 1.931 RESID 254 (A): HA 4.457 4.457 4.618 -0.161 RESID 254 (A): C 177.007 177.007 175.594 1.413 RESID 254 (A): CA 51.859 51.859 50.693 1.166 RESID 254 (A): CB 18.494 18.494 18.729 -0.235 RESID 254 (A): H 8.542 8.542 7.529 1.013 RESID 255 (T): N 114.241 114.241 115.890 -1.649 RESID 255 (T): HA 4.222 4.222 4.324 -0.102 RESID 255 (T): C 173.687 173.687 173.154 0.533 RESID 255 (T): CA 62.138 62.138 61.147 0.992 RESID 255 (T): CB 70.584 70.584 72.286 -1.702 RESID 255 (T): H 7.469 7.469 7.644 -0.175 RESID 256 (A): N 128.290 128.290 126.157 2.133 RESID 256 (A): HA 4.515 4.515 4.332 0.183 RESID 256 (A): C 176.782 176.782 176.699 0.083 RESID 256 (A): CA 51.165 51.165 51.277 -0.112 RESID 256 (A): CB 17.596 17.596 18.716 -1.120 RESID 256 (A): H 8.625 8.625 8.378 0.247 RESID 257 (P): HA 4.089 4.089 4.253 -0.164 RESID 257 (P): C 178.670 178.670 176.730 1.940 RESID 257 (P): CA 66.250 66.250 63.909 2.341 RESID 257 (P): CB 32.400 32.400 32.198 0.202 RESID 258 (E): N 115.538 115.538 118.421 -2.883 RESID 258 (E): HA 4.205 4.205 4.374 -0.169 RESID 258 (E): C 177.484 177.484 176.775 0.709 RESID 258 (E): CA 59.489 59.489 55.395 4.094 RESID 258 (E): CB 28.896 28.896 30.237 -1.341 RESID 258 (E): H 9.711 9.711 7.843 1.868 RESID 259 (V): N 113.043 113.043 112.208 0.835 RESID 259 (V): HA 4.641 4.641 3.682 0.959 RESID 259 (V): C 175.536 175.536 176.585 -1.049 RESID 259 (V): CA 61.065 61.065 63.696 -2.631 RESID 259 (V): CB 32.652 32.652 30.629 2.023 RESID 259 (V): H 7.765 7.765 8.559 -0.794 RESID 260 (K): N 121.849 121.849 119.653 2.196 RESID 260 (K): HA 3.769 3.769 3.804 -0.035 RESID 260 (K): C 177.750 177.750 178.449 -0.699 RESID 260 (K): CA 61.507 61.507 59.324 2.183 RESID 260 (K): CB 34.189 34.189 32.046 2.143 RESID 260 (K): H 7.415 7.415 8.373 -0.958 RESID 261 (Y): N 117.222 117.222 116.746 0.476 RESID 261 (Y): HA 3.803 3.803 4.564 -0.761 RESID 261 (Y): C 176.020 176.020 177.800 -1.780 RESID 261 (Y): CA 62.761 62.761 61.304 1.457 RESID 261 (Y): CB 36.982 36.982 37.432 -0.451 RESID 261 (Y): H 8.942 8.942 8.220 0.722 RESID 262 (T): N 115.869 115.869 117.590 -1.721 RESID 262 (T): HA 4.136 4.136 3.991 0.145 RESID 262 (T): C 177.136 177.136 176.550 0.586 RESID 262 (T): CA 68.855 68.855 66.401 2.454 RESID 262 (T): CB 66.818 66.818 68.286 -1.468 RESID 262 (T): H 7.822 7.822 8.331 -0.509 RESID 263 (V): N 123.471 123.471 121.270 2.201 RESID 263 (V): HA 3.507 3.507 3.692 -0.185 RESID 263 (V): C 178.020 178.020 177.402 0.618 RESID 263 (V): CA 67.000 67.000 66.771 0.229 RESID 263 (V): CB 31.699 31.699 31.142 0.556 RESID 263 (V): H 8.051 8.051 8.374 -0.323 RESID 264 (F): N 123.178 123.178 120.430 2.748 RESID 264 (F): HA 3.812 3.812 4.005 -0.193 RESID 264 (F): C 175.217 175.217 177.445 -2.228 RESID 264 (F): CA 60.720 60.720 61.767 -1.047 RESID 264 (F): CB 39.637 39.637 39.016 0.621 RESID 264 (F): H 8.047 8.047 7.967 0.080 RESID 265 (E): N 120.524 120.524 118.817 1.707 RESID 265 (E): HA 2.959 2.959 4.050 -1.091 RESID 265 (E): C 178.300 178.300 179.051 -0.751 RESID 265 (E): CA 59.854 59.854 59.370 0.485 RESID 265 (E): CB 30.318 30.318 29.828 0.490 RESID 265 (E): H 8.830 8.830 8.351 0.479 RESID 266 (T): N 114.371 114.371 117.547 -3.176 RESID 266 (T): HA 3.694 3.694 3.957 -0.263 RESID 266 (T): C 176.020 176.020 176.387 -0.367 RESID 266 (T): CA 66.645 66.645 66.547 0.098 RESID 266 (T): CB 68.704 68.704 68.869 -0.165 RESID 266 (T): H 7.978 7.978 8.576 -0.598 RESID 267 (A): N 124.070 124.070 124.374 -0.304 RESID 267 (A): HA 3.899 3.899 4.050 -0.151 RESID 267 (A): C 180.615 180.615 179.294 1.321 RESID 267 (A): CA 54.950 54.950 55.363 -0.413 RESID 267 (A): CB 17.668 17.668 18.092 -0.424 RESID 267 (A): H 7.908 7.908 8.726 -0.818 RESID 268 (L): N 121.494 121.494 118.738 2.756 RESID 268 (L): HA 3.716 3.716 3.837 -0.121 RESID 268 (L): C 177.403 177.403 178.791 -1.388 RESID 268 (L): CA 57.095 57.095 57.751 -0.656 RESID 268 (L): CB 35.715 35.715 40.463 -4.748 RESID 268 (L): H 8.499 8.499 7.388 1.111 RESID 269 (K): N 118.900 118.900 119.480 -0.580 RESID 269 (K): HA 2.946 2.946 3.639 -0.693 RESID 269 (K): C 179.440 179.440 178.702 0.738 RESID 269 (K): CA 59.500 59.500 59.785 -0.284 RESID 269 (K): CB 31.880 31.880 32.102 -0.222 RESID 269 (K): H 7.678 7.678 7.465 0.213 RESID 270 (K): N 118.900 118.900 119.470 -0.570 RESID 270 (K): HA 3.814 3.814 3.992 -0.178 RESID 270 (K): C 178.960 178.960 178.757 0.203 RESID 270 (K): CA 59.770 59.770 59.213 0.557 RESID 270 (K): CB 32.330 32.330 32.246 0.084 RESID 270 (K): H 7.678 7.678 7.984 -0.306 RESID 271 (A): N 122.628 122.628 122.178 0.450 RESID 271 (A): HA 4.078 4.078 4.028 0.050 RESID 271 (A): C 180.707 180.707 179.630 1.077 RESID 271 (A): CA 54.835 54.835 55.129 -0.294 RESID 271 (A): CB 18.694 18.694 18.415 0.279 RESID 271 (A): H 7.699 7.699 8.085 -0.386 RESID 272 (I): N 120.190 120.190 118.220 1.970 RESID 272 (I): HA 3.616 3.616 3.666 -0.050 RESID 272 (I): C 178.458 178.458 178.043 0.415 RESID 272 (I): CA 65.296 65.296 65.080 0.216 RESID 272 (I): CB 37.724 37.724 37.852 -0.128 RESID 272 (I): H 8.519 8.519 8.488 0.031 RESID 273 (T): N 118.748 118.748 114.536 4.212 RESID 273 (T): HA 4.227 4.227 3.975 0.252 RESID 273 (T): C 176.122 176.122 176.182 -0.060 RESID 273 (T): CA 68.686 68.686 65.636 3.050 RESID 273 (T): CB 67.031 67.031 67.710 -0.679 RESID 273 (T): H 8.329 8.329 7.940 0.389 RESID 274 (A): N 122.829 122.829 124.611 -1.782 RESID 274 (A): HA 4.120 4.120 4.005 0.115 RESID 274 (A): C 180.580 180.580 179.689 0.891 RESID 274 (A): CA 55.013 55.013 55.011 0.002 RESID 274 (A): CB 17.770 17.770 18.035 -0.265 RESID 274 (A): H 7.841 7.841 7.798 0.043 RESID 275 (M): N 118.352 118.352 115.332 3.020 RESID 275 (M): HA 4.082 4.082 4.246 -0.164 RESID 275 (M): C 178.226 178.226 176.792 1.434 RESID 275 (M): CA 59.240 59.240 57.034 2.206 RESID 275 (M): CB 33.624 33.624 32.205 1.419 RESID 275 (M): H 7.886 7.886 8.004 -0.118 RESID 276 (S): N 115.242 115.242 113.561 1.681 RESID 276 (S): HA 4.100 4.100 4.348 -0.248 RESID 276 (S): C 176.687 176.687 176.840 -0.153 RESID 276 (S): CA 60.920 60.920 60.919 0.001 RESID 276 (S): CB 62.763 62.763 63.649 -0.886 RESID 276 (S): H 8.154 8.154 7.269 0.885 RESID 277 (E): N 120.950 120.950 122.372 -1.422 RESID 277 (E): HA 3.990 3.990 4.153 -0.163 RESID 277 (E): C 178.562 178.562 178.412 0.150 RESID 277 (E): CA 58.426 58.426 58.379 0.047 RESID 277 (E): CB 29.510 29.510 29.350 0.160 RESID 277 (E): H 8.336 8.336 8.536 -0.200 RESID 278 (A): N 121.655 121.655 121.648 0.007 RESID 278 (A): HA 4.137 4.137 3.936 0.201 RESID 278 (A): C 179.412 179.412 179.527 -0.115 RESID 278 (A): CA 54.163 54.163 54.766 -0.603 RESID 278 (A): CB 18.234 18.234 17.890 0.344 RESID 278 (A): H 7.943 7.943 8.540 -0.597 RESID 279 (Q): N 116.951 116.951 118.083 -1.132 RESID 279 (Q): HA 4.138 4.138 3.995 0.143 RESID 279 (Q): C 177.164 177.164 178.248 -1.084 RESID 279 (Q): CA 56.987 56.987 58.548 -1.561 RESID 279 (Q): CB 28.602 28.602 28.677 -0.075 RESID 279 (Q): H 7.791 7.791 7.689 0.102 RESID 280 (K): N 119.993 119.993 117.717 2.276 RESID 280 (K): HA 4.089 4.089 4.180 -0.091 RESID 280 (K): C 176.909 176.909 178.191 -1.282 RESID 280 (K): CA 57.700 57.700 57.777 -0.077 RESID 280 (K): CB 32.860 32.860 32.409 0.451 RESID 280 (K): H 7.863 7.863 8.267 -0.404 RESID 281 (A): N 122.367 122.367 121.819 0.548 RESID 281 (A): HA 4.206 4.206 4.191 0.015 RESID 281 (A): C 177.375 177.375 177.934 -0.559 RESID 281 (A): CA 52.474 52.474 52.733 -0.258 RESID 281 (A): CB 19.140 19.140 18.977 0.163 RESID 281 (A): H 7.841 7.841 7.684 0.157 RESID 282 (A): N 122.465 122.465 120.068 2.397 RESID 282 (A): HA 4.211 4.211 3.956 0.255 RESID 282 (A): C 177.333 177.333 176.895 0.438 RESID 282 (A): CA 52.413 52.413 52.927 -0.514 RESID 282 (A): CB 19.016 19.016 16.759 2.257 RESID 282 (A): H 7.891 7.891 8.212 -0.321 RESID 283 (K): N 121.934 121.934 119.087 2.847 RESID 283 (K): HA 4.560 4.560 4.467 0.093 RESID 283 (K): C 181.141 181.141 175.087 6.054 RESID 283 (K): CA 54.069 54.069 54.456 -0.387 RESID 283 (K): CB 32.644 32.644 32.261 0.383 RESID 283 (K): H 8.140 8.140 7.891 0.249 RESID 284 (P): HA 4.331 4.331 4.305 0.026 RESID 284 (P): C 172.250 172.250 176.256 -4.006 RESID 284 (P): CA 63.500 63.500 63.420 0.080 RESID 284 (P): CB 32.160 32.160 31.654 0.506 N HA C CA CB H RESID 57 (G): 4.608 ----- -0.400 0.220 ----- -0.000 RESID 58 (K): -1.468 0.046 1.399 -0.325 1.373 0.211 RESID 59 (A): -2.620 -0.238 1.578 0.638 -0.827 0.401 RESID 60 (T): -0.486 0.325 1.989 -0.139 1.100 0.241 RESID 61 (T): 1.471 -0.181 0.600 1.488 -0.183 0.347 RESID 62 (E): -0.928 -0.167 0.885 -0.347 -0.324 0.191 RESID 63 (E): 0.364 -0.219 -1.251 0.903 0.109 0.270 RESID 64 (Q): 0.756 -0.120 0.560 -0.003 -0.130 0.061 RESID 65 (K): -0.299 -0.120 -0.030 0.634 0.011 0.514 RESID 66 (L): -0.369 -0.011 0.353 0.573 -0.870 -0.390 RESID 67 (I): 0.254 0.173 0.922 -1.254 -1.268 -0.632 RESID 68 (E): 4.622 -0.293 3.464 2.101 -0.414 0.517 RESID 69 (K): 0.618 -0.118 1.872 1.450 0.257 0.140 RESID 70 (I): 3.390 0.057 2.426 0.121 -1.646 0.343 RESID 71 (N): 2.245 0.329 1.646 -1.114 0.323 0.697 RESID 72 (A): 1.076 0.068 1.560 0.482 -0.476 0.714 RESID 73 (G): 2.630 ----- -1.461 0.176 ----- 0.801 RESID 74 (F): 3.403 -0.278 -0.522 3.205 1.084 0.400 RESID 75 (K): -2.487 0.025 0.903 0.155 0.051 -0.824 RESID 76 (A): 2.032 -0.014 1.886 -0.132 -0.492 0.339 RESID 77 (A): 4.681 -0.453 -0.710 1.057 -0.830 1.085 RESID 78 (L): 1.404 0.265 0.745 0.261 1.562 -0.221 RESID 79 (A): -0.489 0.007 2.356 0.052 -0.557 -0.617 RESID 80 (A): 3.100 -0.200 2.372 1.170 0.050 0.710 RESID 81 (A): -1.242 0.398 0.696 -0.190 0.600 1.316 RESID 82 (A): 0.795 -0.310 -0.233 2.132 -0.694 0.024 RESID 83 (G): 18.382 ----- -1.140 -1.279 ----- -0.345 RESID 84 (V): -4.545 0.545 -0.220 -1.998 1.587 -0.175 RESID 85 (Q): 3.492 -0.173 ----- -1.914 -2.895 0.231 RESID 86 (P): ----- 0.025 ----- -1.446 1.885 ----- RESID 87 (A): -10.717 0.278 1.088 1.130 0.190 0.868 RESID 88 (D): -0.751 0.681 0.645 -1.809 3.150 -0.659 RESID 89 (K): 7.303 -0.680 -1.741 3.715 -0.034 -0.582 RESID 90 (Y): -3.063 -0.490 -1.257 1.238 -1.194 1.123 RESID 91 (R): 0.123 -0.409 1.315 0.178 -0.761 0.195 RESID 92 (T): 1.829 -0.291 0.169 1.947 0.397 0.477 RESID 93 (F): 2.397 -0.372 -0.897 0.461 1.487 1.597 RESID 94 (V): -0.115 -0.569 1.253 1.110 0.564 0.982 RESID 95 (A): 0.557 0.058 0.546 -0.310 0.031 0.405 RESID 96 (T): -0.223 0.125 0.195 2.210 -2.225 -0.476 RESID 97 (F): 0.753 -0.498 0.014 0.931 0.481 0.895 RESID 98 (G): 0.720 ----- 0.704 -0.297 ----- -0.057 RESID 99 (A): -2.076 0.063 0.972 0.323 -0.391 -0.116 RESID 100 (A): 0.030 0.294 1.672 -0.551 -0.259 1.358 RESID 101 (S): 3.242 0.034 0.153 7.282 4.540 0.201 RESID 102 (N): ----- -0.025 ----- 0.023 -0.045 ----- RESID 103 (K): -1.545 0.014 -0.503 0.580 0.614 -0.409 RESID 104 (A): -0.910 -0.061 0.450 -0.587 -0.080 0.233 RESID 105 (F): -1.657 0.059 -0.739 -0.864 -0.098 -0.427 RESID 106 (A): 1.856 -0.040 ----- 0.177 0.156 -0.555 RESID 107 (E): -1.720 -0.065 -0.351 -0.436 0.494 0.048 RESID 108 (G): 1.832 ----- 0.057 1.137 ----- 0.300 RESID 109 (L): 2.310 0.343 1.682 0.103 2.301 0.341 RESID 110 (S): -1.978 -0.142 -0.525 -0.372 -0.501 -0.056 RESID 111 (G): 0.745 ----- 0.104 -0.351 ----- -0.078 RESID 112 (E): 1.251 -0.218 ----- 0.779 -0.384 -0.005 RESID 113 (P): ----- -0.029 ----- -0.060 -0.647 ----- RESID 114 (K): -0.549 -0.169 0.167 0.204 -0.133 -0.193 RESID 115 (G): 1.501 ----- 0.262 1.037 ----- 0.612 RESID 116 (A): 2.167 0.228 1.126 0.679 1.781 -0.012 RESID 117 (A): 0.860 0.242 1.568 0.538 0.494 0.578 RESID 118 (E): 1.300 0.218 1.622 -0.252 1.292 -0.410 RESID 119 (S): 5.256 -0.140 0.364 0.437 -0.518 0.407 RESID 120 (S): -0.008 -0.075 -0.051 -1.061 0.199 0.065 RESID 121 (S): 1.408 -0.091 0.156 -0.518 -0.270 0.093 RESID 122 (K): 2.238 0.041 ----- 0.069 0.017 -0.012 RESID 123 (A): 1.574 -0.030 ----- -0.653 0.026 0.701 RESID 124 (A): 0.085 0.062 ----- -0.405 0.101 0.481 RESID 125 (L): 1.490 0.034 -0.064 0.120 -0.379 0.448 RESID 126 (T): 0.332 0.061 -0.110 1.238 -1.927 0.287 RESID 127 (S): -0.814 0.109 0.725 0.052 -0.396 -0.828 RESID 128 (K): 0.227 0.040 0.869 0.889 0.669 -0.249 RESID 129 (L): 2.932 -0.811 -2.657 0.949 -0.116 0.143 RESID 130 (D): -3.902 -0.485 0.530 0.394 0.480 -0.612 RESID 131 (A): -2.722 -0.136 0.800 -0.212 -0.536 -0.659 RESID 132 (A): 2.348 -0.030 0.155 -0.123 -0.000 0.007 RESID 133 (Y): -1.139 0.030 2.599 -4.238 -2.730 1.048 RESID 134 (K): 1.432 0.118 -0.170 1.340 0.294 0.166 RESID 135 (L): 1.545 0.136 2.067 0.188 0.377 -0.307 RESID 136 (A): 2.960 -0.337 -1.189 1.224 -0.798 0.107 RESID 137 (Y): -1.116 1.459 -0.410 2.179 0.695 0.377 RESID 138 (K): -1.124 0.222 0.964 0.622 0.283 0.397 RESID 139 (T): 6.083 0.123 1.089 4.551 -2.116 0.519 RESID 140 (A): 1.253 -0.006 0.600 0.968 0.849 0.934 RESID 141 (E): -0.180 -0.190 -0.450 0.705 -0.113 0.912 RESID 142 (G): -3.591 ----- 0.835 0.602 ----- -0.154 RESID 143 (A): -0.819 -0.241 1.139 -0.656 -0.273 -0.114 RESID 144 (T): -3.440 -0.376 1.131 2.033 -1.513 -0.164 RESID 145 (P): ----- -0.546 2.723 3.954 0.025 ----- RESID 146 (E): -0.751 0.138 1.227 1.671 -0.982 0.395 RESID 147 (A): 4.476 0.183 0.932 -0.017 1.117 0.458 RESID 148 (K): 0.829 -0.670 -0.141 3.030 1.068 -1.228 RESID 149 (Y): -1.219 -0.255 -2.765 0.477 -0.311 0.794 RESID 150 (D): -1.109 -0.497 0.949 0.256 0.254 0.072 RESID 152 (Y): ----- -0.378 -0.801 2.975 1.147 ----- RESID 153 (V): -2.629 -0.105 0.758 1.107 0.616 -0.118 RESID 154 (A): 0.930 -0.054 -2.678 -0.337 0.127 -0.325 RESID 155 (T): -2.332 -0.189 0.303 -0.475 -0.074 -0.258 RESID 156 (L): 2.554 -0.274 ----- 0.199 0.760 0.643 RESID 157 (S): -3.103 -0.268 1.021 0.804 -1.201 0.908 RESID 158 (E): -1.683 0.114 -0.980 -0.652 -0.405 -0.329 RESID 159 (A): -1.148 0.072 1.452 -0.165 -0.053 -0.325 RESID 160 (L): -3.215 -0.271 0.551 0.333 -0.868 0.526 RESID 161 (R): 2.718 -0.191 0.458 0.457 -0.432 -0.651 RESID 162 (I): -0.581 -0.103 2.940 0.241 -0.244 -0.529 RESID 163 (I): ----- -0.106 ----- 0.537 0.785 ----- RESID 164 (A): 1.253 -0.209 0.810 0.742 -0.103 0.813 RESID 165 (G): -0.917 ----- 0.103 0.428 ----- 0.238 RESID 166 (T): -4.362 0.138 -0.933 -3.030 0.667 -0.278 RESID 167 (L): 1.592 0.111 -0.339 -1.698 0.014 -0.008 RESID 168 (E): 2.274 -0.218 -0.566 0.362 -0.427 0.267 RESID 169 (V): 2.607 0.015 -0.278 -7.608 ----- -0.210 RESID 170 (H): 5.582 0.389 0.439 -1.585 0.525 0.424 RESID 171 (A): 0.994 -0.095 1.018 0.016 -2.261 0.178 RESID 172 (V): -0.969 -0.158 0.553 0.101 0.421 0.517 RESID 173 (K): 2.368 ----- -0.399 -2.301 2.145 -0.168 RESID 174 (P): ----- 0.169 ----- -0.320 -0.010 ----- RESID 175 (A): -0.741 -0.155 1.982 1.116 -1.224 0.714 RESID 176 (A): 1.263 -0.005 1.290 -0.541 1.127 0.023 RESID 177 (E): 1.474 -0.421 0.837 0.954 -1.355 0.360 RESID 178 (E): 1.434 -0.198 0.254 -0.457 0.469 -0.154 RESID 179 (V): -0.728 -0.228 0.312 0.686 -1.551 0.021 RESID 180 (K): 1.325 0.027 -0.455 -0.417 0.388 -0.051 RESID 181 (V): 5.698 0.260 -0.184 -1.081 1.236 0.059 RESID 182 (I): 9.584 ----- -0.609 -1.028 0.892 0.233 RESID 183 (P): ----- -0.036 0.443 -0.415 0.524 ----- RESID 184 (A): -1.268 -0.318 1.194 1.615 -0.137 0.171 RESID 185 (G): 0.813 ----- -0.732 0.384 ----- 0.410 RESID 186 (E): 0.528 -0.265 -0.487 -0.164 0.896 0.029 RESID 187 (L): 2.325 -0.114 -1.220 -0.655 0.994 0.176 RESID 188 (Q): -0.804 0.181 -0.427 -1.536 -0.075 0.231 RESID 189 (V): -0.854 -0.087 0.181 0.505 0.893 0.237 RESID 190 (I): 0.292 -0.019 0.515 0.007 -1.062 0.701 RESID 191 (E): 0.291 0.200 0.371 -0.125 0.065 -0.481 RESID 192 (K): -0.412 0.092 0.046 -0.899 -0.620 0.217 RESID 193 (V): 1.884 -0.167 -0.784 0.100 0.234 0.808 RESID 194 (D): 1.931 -0.056 -0.193 0.570 1.039 0.852 RESID 195 (A): -1.971 -0.069 0.624 0.473 -0.442 0.445 RESID 196 (A): 0.025 -0.030 -0.362 0.079 1.040 -0.308 RESID 197 (F): 2.091 -0.717 -0.909 0.864 -0.666 1.358 RESID 198 (K): -2.907 -0.340 1.401 -0.212 -0.053 -0.718 RESID 199 (V): -0.047 -0.270 1.373 1.370 0.720 -0.078 RESID 200 (A): 3.538 -0.468 -0.464 -0.007 0.577 0.842 RESID 201 (A): -0.432 -0.073 1.153 -0.393 -0.462 -0.490 RESID 202 (T): 2.606 0.166 -1.032 -4.168 -6.843 0.487 RESID 203 (A): 1.667 -0.047 1.461 0.482 -0.220 -0.267 RESID 204 (A): 2.100 0.094 1.154 1.424 0.275 1.182 RESID 205 (N): -2.720 -0.184 -1.542 0.961 0.950 0.006 RESID 206 (A): -2.647 0.103 -0.775 3.021 -0.795 -0.415 RESID 207 (A): 0.680 0.335 -1.517 -0.385 0.110 -0.207 RESID 208 (P): ----- 0.068 1.071 -0.095 -0.032 ----- RESID 209 (A): 2.931 -0.356 1.885 1.546 0.051 0.280 RESID 210 (N): -1.204 -0.289 1.166 2.846 -2.105 1.048 RESID 211 (D): 3.875 0.680 -0.854 -2.379 3.812 -0.681 RESID 212 (K): -0.087 -0.486 -0.613 2.835 0.796 -1.319 RESID 213 (F): -3.622 -0.135 0.721 0.298 0.573 -0.240 RESID 214 (T): -1.483 ----- 1.382 -1.364 0.391 -0.321 RESID 215 (V): 2.210 -0.041 0.344 -0.641 0.233 0.021 RESID 216 (F): -2.046 -0.227 -0.259 0.857 0.450 1.105 RESID 217 (E): -2.269 -0.226 -1.107 2.500 0.446 0.048 RESID 218 (A): -3.464 -0.002 0.847 0.286 -0.259 -0.013 RESID 219 (A): -2.210 0.153 0.994 0.022 0.344 0.191 RESID 220 (F): 2.249 0.363 0.141 -2.799 1.513 0.448 RESID 221 (N): 0.678 -0.046 ----- 0.719 -0.563 0.879 RESID 222 (D): -1.144 -0.131 0.952 0.400 -0.436 -0.047 RESID 223 (A): 0.962 0.100 ----- 0.059 0.041 -0.148 RESID 224 (I): 5.496 -0.225 0.618 0.949 0.014 1.313 RESID 225 (K): 3.918 0.128 0.820 -0.311 0.265 1.040 RESID 226 (A): -0.866 0.099 2.036 0.097 0.225 -0.383 RESID 227 (S): -1.006 -0.017 0.038 0.858 -0.422 0.690 RESID 228 (T): -4.609 0.089 ----- 1.375 2.084 0.056 RESID 229 (G): 3.433 ----- 2.970 1.184 ----- 0.423 RESID 230 (G): -2.686 ----- 0.779 0.096 ----- 0.351 RESID 231 (A): -2.786 -0.277 1.304 2.551 -0.810 -0.258 RESID 232 (Y): -7.249 -0.338 0.269 -0.896 0.910 -0.367 RESID 233 (E): -7.770 -0.391 -1.844 -0.322 1.383 -0.562 RESID 234 (S): -10.498 0.227 0.761 -2.615 2.200 -0.644 RESID 235 (Y): 0.673 -0.308 0.605 3.246 2.021 0.515 RESID 236 (K): -2.380 -0.900 1.095 2.556 -0.335 -0.986 RESID 237 (F): 0.597 0.010 0.505 1.705 0.146 -0.062 RESID 238 (I): 1.595 0.572 ----- -2.517 1.382 -1.068 RESID 239 (P): ----- 0.086 1.996 2.739 0.300 ----- RESID 240 (A): -2.983 0.152 ----- 1.771 1.049 0.560 RESID 241 (L): -3.218 0.295 0.330 -2.187 0.287 0.250 RESID 242 (E): 2.340 0.348 0.591 1.411 0.317 -0.174 RESID 243 (A): -3.450 -0.178 0.634 1.338 -0.597 0.427 RESID 244 (A): -0.704 0.051 -0.026 0.429 ----- -0.231 RESID 245 (V): 2.456 -0.294 0.119 0.577 0.833 0.230 RESID 246 (K): 0.675 0.187 1.529 1.230 -0.276 0.566 RESID 247 (Q): 2.223 -0.066 0.169 0.285 0.207 0.762 RESID 248 (A): 3.125 -0.171 -0.056 0.081 0.645 0.485 RESID 249 (Y): 1.396 -0.241 4.005 3.430 -0.395 0.936 RESID 250 (A): 4.083 -0.249 1.885 1.907 -1.470 0.528 RESID 251 (A): -1.387 -0.203 -0.499 1.667 -1.876 -0.576 RESID 252 (T): -8.909 0.591 -0.283 -2.649 3.095 0.158 RESID 253 (V): -0.523 0.140 -0.181 0.061 0.448 -0.956 RESID 254 (A): 1.931 -0.161 1.413 1.166 -0.235 1.013 RESID 255 (T): -1.649 -0.102 0.533 0.992 -1.702 -0.175 RESID 256 (A): 2.133 0.183 0.083 -0.112 -1.120 0.247 RESID 257 (P): ----- -0.164 1.940 2.341 0.202 ----- RESID 258 (E): -2.883 -0.169 0.709 4.094 -1.341 1.868 RESID 259 (V): 0.835 0.959 -1.049 -2.631 2.023 -0.794 RESID 260 (K): 2.196 -0.035 -0.699 2.183 2.143 -0.958 RESID 261 (Y): 0.476 -0.761 -1.780 1.457 -0.451 0.722 RESID 262 (T): -1.721 0.145 0.586 2.454 -1.468 -0.509 RESID 263 (V): 2.201 -0.185 0.618 0.229 0.556 -0.323 RESID 264 (F): 2.748 -0.193 -2.228 -1.047 0.621 0.080 RESID 265 (E): 1.707 -1.091 -0.751 0.485 0.490 0.479 RESID 266 (T): -3.176 -0.263 -0.367 0.098 -0.165 -0.598 RESID 267 (A): -0.304 -0.151 1.321 -0.413 -0.424 -0.818 RESID 268 (L): 2.756 -0.121 -1.388 -0.656 -4.748 1.111 RESID 269 (K): -0.580 -0.693 0.738 -0.284 -0.222 0.213 RESID 270 (K): -0.570 -0.178 0.203 0.557 0.084 -0.306 RESID 271 (A): 0.450 0.050 1.077 -0.294 0.279 -0.386 RESID 272 (I): 1.970 -0.050 0.415 0.216 -0.128 0.031 RESID 273 (T): 4.212 0.252 -0.060 3.050 -0.679 0.389 RESID 274 (A): -1.782 0.115 0.891 0.002 -0.265 0.043 RESID 275 (M): 3.020 -0.164 1.434 2.206 1.419 -0.118 RESID 276 (S): 1.681 -0.248 -0.153 0.001 -0.886 0.885 RESID 277 (E): -1.422 -0.163 0.150 0.047 0.160 -0.200 RESID 278 (A): 0.007 0.201 -0.115 -0.603 0.344 -0.597 RESID 279 (Q): -1.132 0.143 -1.084 -1.561 -0.075 0.102 RESID 280 (K): 2.276 -0.091 -1.282 -0.077 0.451 -0.404 RESID 281 (A): 0.548 0.015 -0.559 -0.258 0.163 0.157 RESID 282 (A): 2.397 0.255 0.438 -0.514 2.257 -0.321 RESID 283 (K): 2.847 0.093 6.054 -0.387 0.383 0.249 RESID 284 (P): ----- 0.026 -4.006 0.080 0.506 ----- DATA CS_STAT_INFO N RMS: 3.011 ppm Count: 216 Average Difference: -0.381 +/- 2.994 ppm DATA CS_STAT_INFO HA RMS: 0.299 ppm Count: 233 Average Difference: 0.052 +/- 0.295 ppm DATA CS_STAT_INFO C RMS: 1.254 ppm Count: 211 Average Difference: -0.380 +/- 1.198 ppm DATA CS_STAT_INFO CA RMS: 1.561 ppm Count: 228 Average Difference: -0.336 +/- 1.527 ppm DATA CS_STAT_INFO CB RMS: 1.191 ppm Count: 214 Average Difference: -0.082 +/- 1.191 ppm DATA CS_STAT_INFO HN RMS: 0.570 ppm Count: 216 Average Difference: -0.141 +/- 0.554 ppm ############################################################################ For conformer 7: Atom Original Corrected SPARTA Difference RESID 56 (A): N 123.960 123.960 119.672 4.288 RESID 56 (A): HA 4.219 4.219 3.973 0.246 RESID 56 (A): C 177.886 177.886 178.156 -0.270 RESID 56 (A): CA 52.782 52.782 53.854 -1.072 RESID 56 (A): CB 19.246 19.246 16.706 2.540 RESID 56 (A): H 8.814 8.814 8.725 0.089 RESID 57 (G): N 108.854 108.854 103.329 5.525 RESID 57 (G): C 173.751 173.751 174.691 -0.940 RESID 57 (G): CA 45.130 45.130 45.070 0.060 RESID 57 (G): H 8.524 8.524 8.492 0.032 RESID 58 (K): N 120.911 120.911 121.457 -0.546 RESID 58 (K): HA 4.301 4.301 4.418 -0.117 RESID 58 (K): C 176.244 176.244 175.975 0.269 RESID 58 (K): CA 55.941 55.941 55.238 0.703 RESID 58 (K): CB 33.552 33.552 33.791 -0.239 RESID 58 (K): H 8.206 8.206 8.091 0.115 RESID 59 (A): N 126.086 126.086 125.260 0.826 RESID 59 (A): HA 4.354 4.354 4.668 -0.314 RESID 59 (A): C 177.815 177.815 176.531 1.284 RESID 59 (A): CA 52.346 52.346 51.331 1.015 RESID 59 (A): CB 19.479 19.479 18.205 1.274 RESID 59 (A): H 8.518 8.518 8.353 0.165 RESID 60 (T): N 114.453 114.453 112.630 1.823 RESID 60 (T): HA 4.434 4.434 4.819 -0.385 RESID 60 (T): C 175.282 175.282 173.829 1.453 RESID 60 (T): CA 61.740 61.740 60.417 1.323 RESID 60 (T): CB 70.210 70.210 71.121 -0.911 RESID 60 (T): H 8.402 8.402 7.741 0.661 RESID 61 (T): N 115.217 115.217 111.972 3.245 RESID 61 (T): HA 4.360 4.360 4.728 -0.368 RESID 61 (T): C 175.851 175.851 174.778 1.073 RESID 61 (T): CA 61.847 61.847 59.400 2.447 RESID 61 (T): CB 70.682 70.682 71.710 -1.028 RESID 61 (T): H 8.429 8.429 8.371 0.058 RESID 62 (E): N 120.843 120.843 122.333 -1.490 RESID 62 (E): HA 3.923 3.923 3.956 -0.033 RESID 62 (E): C 179.517 179.517 178.014 1.503 RESID 62 (E): CA 59.568 59.568 60.095 -0.527 RESID 62 (E): CB 29.223 29.223 29.774 -0.551 RESID 62 (E): H 9.049 9.049 9.117 -0.068 RESID 63 (E): N 119.900 119.900 117.367 2.533 RESID 63 (E): HA 3.768 3.768 3.988 -0.220 RESID 63 (E): C 177.635 177.635 178.903 -1.268 RESID 63 (E): CA 60.882 60.882 58.674 2.208 RESID 63 (E): CB 29.410 29.410 28.890 0.520 RESID 63 (E): H 8.857 8.857 8.638 0.219 RESID 64 (Q): N 118.374 118.374 119.611 -1.237 RESID 64 (Q): HA 3.821 3.821 4.156 -0.335 RESID 64 (Q): C 178.986 178.986 177.239 1.747 RESID 64 (Q): CA 58.831 58.831 58.165 0.666 RESID 64 (Q): CB 28.480 28.480 28.938 -0.458 RESID 64 (Q): H 7.923 7.923 7.491 0.432 RESID 65 (K): N 119.234 119.234 118.923 0.311 RESID 65 (K): HA 3.940 3.940 4.179 -0.239 RESID 65 (K): C 178.993 178.993 178.716 0.277 RESID 65 (K): CA 59.547 59.547 58.333 1.214 RESID 65 (K): CB 32.502 32.502 32.852 -0.350 RESID 65 (K): H 8.258 8.258 7.685 0.573 RESID 66 (L): N 120.500 120.500 120.985 -0.485 RESID 66 (L): HA 4.060 4.060 4.051 0.009 RESID 66 (L): C 178.729 178.729 177.916 0.813 RESID 66 (L): CA 58.217 58.217 57.839 0.378 RESID 66 (L): CB 41.328 41.328 42.198 -0.870 RESID 66 (L): H 7.786 7.786 8.684 -0.898 RESID 67 (I): N 118.533 118.533 116.723 1.810 RESID 67 (I): HA 3.817 3.817 3.723 0.094 RESID 67 (I): C 177.644 177.644 176.661 0.983 RESID 67 (I): CA 62.837 62.837 63.320 -0.483 RESID 67 (I): CB 36.617 36.617 37.939 -1.322 RESID 67 (I): H 8.049 8.049 7.588 0.461 RESID 68 (E): N 121.332 121.332 116.788 4.544 RESID 68 (E): HA 4.117 4.117 4.250 -0.133 RESID 68 (E): C 181.037 181.037 177.390 3.647 RESID 68 (E): CA 59.800 59.800 57.714 2.086 RESID 68 (E): CB 29.330 29.330 29.638 -0.308 RESID 68 (E): H 8.178 8.178 7.597 0.581 RESID 69 (K): N 120.580 120.580 119.605 0.975 RESID 69 (K): HA 4.120 4.120 4.227 -0.107 RESID 69 (K): C 180.563 180.563 178.820 1.743 RESID 69 (K): CA 59.667 59.667 57.808 1.859 RESID 69 (K): CB 33.436 33.436 33.166 0.270 RESID 69 (K): H 7.921 7.921 7.649 0.272 RESID 70 (I): N 123.857 123.857 120.782 3.075 RESID 70 (I): HA 3.761 3.761 3.669 0.092 RESID 70 (I): C 178.582 178.582 175.976 2.606 RESID 70 (I): CA 63.442 63.442 63.297 0.145 RESID 70 (I): CB 36.146 36.146 37.843 -1.697 RESID 70 (I): H 8.533 8.533 8.175 0.358 RESID 71 (N): N 121.132 121.132 118.567 2.565 RESID 71 (N): HA 4.596 4.596 4.253 0.343 RESID 71 (N): C 178.680 178.680 177.277 1.403 RESID 71 (N): CA 56.116 56.116 56.452 -0.336 RESID 71 (N): CB 37.991 37.991 37.307 0.684 RESID 71 (N): H 9.041 9.041 7.754 1.287 RESID 72 (A): N 123.574 123.574 122.584 0.990 RESID 72 (A): HA 4.231 4.231 4.105 0.126 RESID 72 (A): C 181.206 181.206 179.667 1.539 RESID 72 (A): CA 55.491 55.491 55.169 0.322 RESID 72 (A): CB 17.697 17.697 18.147 -0.450 RESID 72 (A): H 8.361 8.361 7.811 0.550 RESID 73 (G): N 109.949 109.949 106.829 3.120 RESID 73 (G): C 175.146 175.146 176.484 -1.338 RESID 73 (G): CA 47.137 47.137 46.899 0.238 RESID 73 (G): H 8.429 8.429 7.902 0.527 RESID 74 (F): N 124.896 124.896 121.417 3.479 RESID 74 (F): HA 4.079 4.079 4.087 -0.008 RESID 74 (F): C 177.084 177.084 177.758 -0.674 RESID 74 (F): CA 62.295 62.295 59.825 2.470 RESID 74 (F): CB 39.696 39.696 38.443 1.253 RESID 74 (F): H 9.000 9.000 8.073 0.927 RESID 75 (K): N 118.457 118.457 120.225 -1.768 RESID 75 (K): HA 4.009 4.009 3.987 0.022 RESID 75 (K): C 179.824 179.824 179.180 0.644 RESID 75 (K): CA 60.011 60.011 59.910 0.101 RESID 75 (K): CB 32.450 32.450 32.135 0.315 RESID 75 (K): H 8.165 8.165 8.936 -0.771 RESID 76 (A): N 122.983 122.983 121.396 1.587 RESID 76 (A): HA 4.127 4.127 4.098 0.029 RESID 76 (A): C 180.654 180.654 179.449 1.205 RESID 76 (A): CA 54.723 54.723 55.106 -0.383 RESID 76 (A): CB 17.580 17.580 18.026 -0.446 RESID 76 (A): H 8.429 8.429 8.057 0.372 RESID 77 (A): N 124.931 124.931 120.935 3.996 RESID 77 (A): HA 3.765 3.765 4.215 -0.450 RESID 77 (A): C 178.922 178.922 179.662 -0.740 RESID 77 (A): CA 55.160 55.160 54.204 0.956 RESID 77 (A): CB 18.170 18.170 18.463 -0.293 RESID 77 (A): H 8.407 8.407 7.259 1.148 RESID 78 (L): N 121.008 121.008 119.668 1.340 RESID 78 (L): HA 4.180 4.180 4.242 -0.062 RESID 78 (L): C 180.456 180.456 179.877 0.579 RESID 78 (L): CA 58.160 58.160 58.408 -0.248 RESID 78 (L): CB 42.895 42.895 41.712 1.183 RESID 78 (L): H 8.412 8.412 8.484 -0.072 RESID 79 (A): N 121.505 121.505 121.491 0.014 RESID 79 (A): HA 4.133 4.133 4.147 -0.014 RESID 79 (A): C 180.329 180.329 179.283 1.046 RESID 79 (A): CA 54.697 54.697 55.032 -0.335 RESID 79 (A): CB 17.662 17.662 18.040 -0.378 RESID 79 (A): H 7.813 7.813 8.678 -0.865 RESID 80 (A): N 121.520 121.520 119.652 1.868 RESID 80 (A): HA 4.055 4.055 4.181 -0.126 RESID 80 (A): C 181.040 181.040 178.541 2.499 RESID 80 (A): CA 54.340 54.340 53.619 0.721 RESID 80 (A): CB 18.700 18.700 18.385 0.315 RESID 80 (A): H 8.278 8.278 7.568 0.710 RESID 81 (A): N 119.451 119.451 120.627 -1.176 RESID 81 (A): HA 4.179 4.179 4.312 -0.133 RESID 81 (A): C 178.308 178.308 177.047 1.261 RESID 81 (A): CA 53.950 53.950 54.191 -0.241 RESID 81 (A): CB 18.900 18.900 19.607 -0.707 RESID 81 (A): H 8.428 8.428 7.575 0.853 RESID 82 (A): N 119.868 119.868 120.065 -0.197 RESID 82 (A): HA 4.018 4.018 4.529 -0.511 RESID 82 (A): C 178.696 178.696 176.930 1.766 RESID 82 (A): CA 54.290 54.290 51.062 3.228 RESID 82 (A): CB 18.200 18.200 20.827 -2.627 RESID 82 (A): H 7.860 7.860 7.355 0.505 RESID 83 (G): N 128.265 128.265 111.027 17.238 RESID 83 (G): C 174.104 174.104 174.668 -0.564 RESID 83 (G): CA 44.978 44.978 45.462 -0.484 RESID 83 (G): H 7.429 7.429 8.692 -1.263 RESID 84 (V): N 111.883 111.883 112.644 -0.761 RESID 84 (V): HA 4.801 4.801 4.327 0.474 RESID 84 (V): C 175.136 175.136 175.319 -0.183 RESID 84 (V): CA 58.875 58.875 61.211 -2.336 RESID 84 (V): CB 34.417 34.417 31.969 2.448 RESID 84 (V): H 7.052 7.052 7.868 -0.816 RESID 85 (Q): N 119.223 119.223 118.316 0.907 RESID 85 (Q): HA 4.410 4.410 4.172 0.238 RESID 85 (Q): CA 54.350 54.350 56.405 -2.055 RESID 85 (Q): CB 26.663 26.663 27.479 -0.816 RESID 85 (Q): H 8.687 8.687 8.119 0.568 RESID 86 (P): HA 4.345 4.345 4.225 0.120 RESID 86 (P): CA 62.130 62.130 63.491 -1.361 RESID 86 (P): CB 32.330 32.330 32.087 0.244 RESID 87 (A): N 118.968 118.968 126.983 -8.015 RESID 87 (A): HA 4.177 4.177 3.985 0.192 RESID 87 (A): C 177.901 177.901 177.818 0.083 RESID 87 (A): CA 54.580 54.580 53.032 1.548 RESID 87 (A): CB 18.675 18.675 18.598 0.077 RESID 87 (A): H 8.949 8.949 8.612 0.337 RESID 88 (D): N 114.859 114.859 113.621 1.238 RESID 88 (D): HA 5.032 5.032 4.282 0.750 RESID 88 (D): C 177.564 177.564 177.216 0.348 RESID 88 (D): CA 54.500 54.500 56.758 -2.258 RESID 88 (D): CB 43.027 43.027 39.223 3.804 RESID 88 (D): H 8.201 8.201 8.890 -0.689 RESID 89 (K): N 124.691 124.691 119.537 5.154 RESID 89 (K): HA 3.367 3.367 4.028 -0.661 RESID 89 (K): C 177.108 177.108 178.102 -0.994 RESID 89 (K): CA 62.300 62.300 59.124 3.176 RESID 89 (K): CB 32.541 32.541 32.334 0.207 RESID 89 (K): H 7.553 7.553 7.789 -0.236 RESID 90 (Y): N 119.522 119.522 120.668 -1.146 RESID 90 (Y): HA 4.226 4.226 4.400 -0.174 RESID 90 (Y): C 175.856 175.856 177.836 -1.980 RESID 90 (Y): CA 62.070 62.070 60.106 1.964 RESID 90 (Y): CB 37.336 37.336 38.316 -0.980 RESID 90 (Y): H 9.244 9.244 7.987 1.257 RESID 91 (R): N 118.233 118.233 118.990 -0.757 RESID 91 (R): HA 3.603 3.603 3.796 -0.193 RESID 91 (R): C 179.347 179.347 178.633 0.714 RESID 91 (R): CA 59.173 59.173 59.797 -0.624 RESID 91 (R): CB 29.209 29.209 30.074 -0.865 RESID 91 (R): H 8.973 8.973 8.642 0.331 RESID 92 (T): N 116.043 116.043 115.694 0.349 RESID 92 (T): HA 3.912 3.912 4.031 -0.119 RESID 92 (T): C 176.425 176.425 176.355 0.070 RESID 92 (T): CA 67.061 67.061 67.002 0.059 RESID 92 (T): CB 68.762 68.762 68.291 0.471 RESID 92 (T): H 7.949 7.949 8.467 -0.518 RESID 93 (F): N 125.587 125.587 121.369 4.218 RESID 93 (F): HA 3.764 3.764 4.192 -0.428 RESID 93 (F): C 177.008 177.008 177.367 -0.359 RESID 93 (F): CA 62.783 62.783 61.654 1.129 RESID 93 (F): CB 39.771 39.771 39.108 0.663 RESID 93 (F): H 9.047 9.047 7.823 1.224 RESID 94 (V): N 118.057 118.057 118.819 -0.762 RESID 94 (V): HA 3.285 3.285 3.930 -0.645 RESID 94 (V): C 179.641 179.641 177.857 1.784 RESID 94 (V): CA 67.046 67.046 65.119 1.927 RESID 94 (V): CB 31.890 31.890 31.597 0.293 RESID 94 (V): H 8.540 8.540 7.226 1.314 RESID 95 (A): N 121.659 121.659 121.281 0.378 RESID 95 (A): HA 4.076 4.076 4.243 -0.167 RESID 95 (A): C 180.431 180.431 179.495 0.936 RESID 95 (A): CA 55.002 55.002 54.786 0.216 RESID 95 (A): CB 18.135 18.135 18.866 -0.731 RESID 95 (A): H 8.056 8.056 8.533 -0.477 RESID 96 (T): N 115.396 115.396 115.529 -0.133 RESID 96 (T): HA 4.197 4.197 4.162 0.035 RESID 96 (T): C 176.605 176.605 175.917 0.688 RESID 96 (T): CA 68.450 68.450 65.346 3.104 RESID 96 (T): CB 66.738 66.738 69.042 -2.304 RESID 96 (T): H 7.904 7.904 8.663 -0.759 RESID 97 (F): N 123.502 123.502 122.326 1.176 RESID 97 (F): HA 3.628 3.628 3.944 -0.316 RESID 97 (F): C 177.130 177.130 176.734 0.396 RESID 97 (F): CA 61.883 61.883 60.939 0.944 RESID 97 (F): CB 39.300 39.300 38.584 0.716 RESID 97 (F): H 9.024 9.024 7.543 1.481 RESID 98 (G): N 107.348 107.348 105.781 1.567 RESID 98 (G): C 175.718 175.718 175.054 0.664 RESID 98 (G): CA 46.926 46.926 46.867 0.059 RESID 98 (G): H 8.476 8.476 7.820 0.656 RESID 99 (A): N 122.344 122.344 123.363 -1.019 RESID 99 (A): HA 4.130 4.130 3.926 0.204 RESID 99 (A): C 180.299 180.299 178.686 1.613 RESID 99 (A): CA 54.856 54.856 54.099 0.757 RESID 99 (A): CB 17.755 17.755 18.267 -0.512 RESID 99 (A): H 7.404 7.404 7.321 0.083 RESID 100 (A): N 121.274 121.274 121.289 -0.015 RESID 100 (A): HA 4.207 4.207 3.862 0.345 RESID 100 (A): C 181.140 181.140 179.372 1.768 RESID 100 (A): CA 54.496 54.496 54.977 -0.482 RESID 100 (A): CB 17.543 17.543 17.852 -0.309 RESID 100 (A): H 9.009 9.009 7.630 1.379 RESID 101 (S): N 116.676 116.676 113.649 3.027 RESID 101 (S): HA 4.202 4.202 3.991 0.211 RESID 101 (S): C 176.687 176.687 176.253 0.434 RESID 101 (S): CA 68.500 68.500 61.047 7.453 RESID 101 (S): CB 67.022 67.022 62.277 4.745 RESID 101 (S): H 7.861 7.861 7.581 0.280 RESID 102 (N): HA 4.281 4.281 4.245 0.036 RESID 102 (N): CA 55.960 55.960 56.107 -0.147 RESID 102 (N): CB 37.701 37.701 38.446 -0.745 RESID 103 (K): N 120.130 120.130 120.327 -0.197 RESID 103 (K): HA 4.009 4.009 3.951 0.058 RESID 103 (K): C 177.809 177.809 178.464 -0.655 RESID 103 (K): CA 59.437 59.437 59.549 -0.112 RESID 103 (K): CB 32.638 32.638 32.498 0.140 RESID 103 (K): H 7.716 7.716 7.818 -0.102 RESID 104 (A): N 121.097 121.097 121.488 -0.391 RESID 104 (A): HA 3.994 3.994 4.166 -0.172 RESID 104 (A): C 180.119 180.119 180.625 -0.506 RESID 104 (A): CA 54.666 54.666 54.897 -0.231 RESID 104 (A): CB 18.369 18.369 18.322 0.047 RESID 104 (A): H 7.762 7.762 7.567 0.195 RESID 105 (F): N 116.920 116.920 119.446 -2.526 RESID 105 (F): HA 4.231 4.231 4.178 0.053 RESID 105 (F): C 177.950 177.950 178.316 -0.366 RESID 105 (F): CA 59.775 59.775 59.587 0.188 RESID 105 (F): CB 38.380 38.380 38.248 0.132 RESID 105 (F): H 8.508 8.508 8.909 -0.401 RESID 106 (A): N 121.978 121.978 119.666 2.312 RESID 106 (A): HA 4.180 4.180 4.131 0.049 RESID 106 (A): CA 54.164 54.164 54.663 -0.499 RESID 106 (A): CB 18.482 18.482 18.152 0.330 RESID 106 (A): H 7.885 7.885 8.266 -0.381 RESID 107 (E): N 118.006 118.006 116.046 1.960 RESID 107 (E): HA 4.125 4.125 4.360 -0.235 RESID 107 (E): C 177.933 177.933 177.462 0.471 RESID 107 (E): CA 57.663 57.663 56.456 1.207 RESID 107 (E): CB 30.205 30.205 29.869 0.336 RESID 107 (E): H 7.991 7.991 7.724 0.267 RESID 108 (G): N 108.097 108.097 106.988 1.109 RESID 108 (G): C 174.327 174.327 174.157 0.170 RESID 108 (G): CA 45.675 45.675 44.595 1.080 RESID 108 (G): H 8.106 8.106 7.594 0.512 RESID 109 (L): N 121.291 121.291 120.657 0.634 RESID 109 (L): HA 4.338 4.338 3.902 0.436 RESID 109 (L): C 177.737 177.737 178.193 -0.456 RESID 109 (L): CA 55.404 55.404 55.648 -0.244 RESID 109 (L): CB 42.279 42.279 42.589 -0.310 RESID 109 (L): H 7.965 7.965 7.351 0.614 RESID 110 (S): N 115.953 115.953 118.186 -2.233 RESID 110 (S): HA 4.350 4.350 4.145 0.205 RESID 110 (S): C 175.049 175.049 176.033 -0.984 RESID 110 (S): CA 58.898 58.898 60.331 -1.433 RESID 110 (S): CB 63.724 63.724 63.499 0.225 RESID 110 (S): H 8.243 8.243 8.592 -0.349 RESID 111 (G): N 110.568 110.568 110.246 0.322 RESID 111 (G): C 173.855 173.855 173.426 0.429 RESID 111 (G): CA 45.127 45.127 45.339 -0.212 RESID 111 (G): H 8.392 8.392 8.134 0.258 RESID 112 (E): N 121.380 121.380 122.102 -0.722 RESID 112 (E): HA 4.538 4.538 4.600 -0.062 RESID 112 (E): CA 54.191 54.191 54.127 0.064 RESID 112 (E): CB 29.390 29.390 30.157 -0.767 RESID 112 (E): H 8.060 8.060 8.767 -0.707 RESID 113 (P): HA 4.349 4.349 4.554 -0.205 RESID 113 (P): CA 63.375 63.375 62.606 0.769 RESID 113 (P): CB 32.052 32.052 32.599 -0.547 RESID 114 (K): N 121.571 121.571 123.797 -2.226 RESID 114 (K): HA 4.246 4.246 4.117 0.129 RESID 114 (K): C 177.324 177.324 177.233 0.091 RESID 114 (K): CA 56.277 56.277 58.186 -1.909 RESID 114 (K): CB 32.803 32.803 32.654 0.149 RESID 114 (K): H 8.536 8.536 8.643 -0.107 RESID 115 (G): N 110.197 110.197 105.333 4.864 RESID 115 (G): C 174.102 174.102 173.339 0.763 RESID 115 (G): CA 45.232 45.232 44.770 0.462 RESID 115 (G): H 8.490 8.490 8.187 0.303 RESID 116 (A): N 123.966 123.966 121.911 2.055 RESID 116 (A): HA 4.210 4.210 4.482 -0.272 RESID 116 (A): C 178.191 178.191 176.512 1.679 RESID 116 (A): CA 53.081 53.081 51.384 1.697 RESID 116 (A): CB 19.458 19.458 21.266 -1.808 RESID 116 (A): H 8.205 8.205 7.471 0.734 RESID 117 (A): N 122.628 122.628 123.256 -0.628 RESID 117 (A): HA 4.199 4.199 4.018 0.181 RESID 117 (A): C 178.499 178.499 177.796 0.703 RESID 117 (A): CA 53.146 53.146 52.663 0.483 RESID 117 (A): CB 19.106 19.106 18.968 0.139 RESID 117 (A): H 8.429 8.429 8.393 0.036 RESID 118 (E): N 119.797 119.797 113.885 5.912 RESID 118 (E): HA 4.199 4.199 3.863 0.336 RESID 118 (E): C 177.223 177.223 176.468 0.755 RESID 118 (E): CA 57.387 57.387 58.614 -1.227 RESID 118 (E): CB 30.168 30.168 28.788 1.380 RESID 118 (E): H 8.451 8.451 8.994 -0.543 RESID 119 (S): N 116.850 116.850 113.095 3.755 RESID 119 (S): HA 4.397 4.397 4.512 -0.115 RESID 119 (S): C 175.564 175.564 175.804 -0.240 RESID 119 (S): CA 58.914 58.914 60.430 -1.516 RESID 119 (S): CB 63.487 63.487 63.761 -0.274 RESID 119 (S): H 8.432 8.432 8.339 0.093 RESID 120 (S): N 118.812 118.812 116.241 2.571 RESID 120 (S): HA 4.330 4.330 4.698 -0.368 RESID 120 (S): C 176.421 176.421 176.300 0.121 RESID 120 (S): CA 59.906 59.906 60.091 -0.185 RESID 120 (S): CB 63.110 63.110 63.544 -0.434 RESID 120 (S): H 8.559 8.559 8.364 0.195 RESID 121 (S): N 118.669 118.669 118.006 0.663 RESID 121 (S): HA 4.288 4.288 4.431 -0.143 RESID 121 (S): C 176.593 176.593 176.106 0.487 RESID 121 (S): CA 60.439 60.439 60.673 -0.234 RESID 121 (S): CB 62.780 62.780 63.267 -0.487 RESID 121 (S): H 8.462 8.462 8.363 0.099 RESID 122 (K): N 123.978 123.978 120.786 3.192 RESID 122 (K): HA 4.060 4.060 3.994 0.066 RESID 122 (K): CA 59.263 59.263 59.005 0.258 RESID 122 (K): CB 32.296 32.296 32.031 0.265 RESID 122 (K): H 8.212 8.212 8.291 -0.079 RESID 123 (A): N 123.450 123.450 121.188 2.262 RESID 123 (A): HA 4.136 4.136 4.124 0.012 RESID 123 (A): CA 54.330 54.330 54.973 -0.643 RESID 123 (A): CB 18.320 18.320 18.195 0.124 RESID 123 (A): H 8.209 8.209 7.983 0.226 RESID 124 (A): N 121.680 121.680 122.041 -0.361 RESID 124 (A): HA 4.105 4.105 4.112 -0.007 RESID 124 (A): CA 54.550 54.550 54.715 -0.165 RESID 124 (A): CB 18.260 18.260 18.371 -0.111 RESID 124 (A): H 8.093 8.093 7.650 0.443 RESID 125 (L): N 120.426 120.426 118.999 1.427 RESID 125 (L): HA 4.072 4.072 4.070 0.002 RESID 125 (L): C 178.680 178.680 178.795 -0.115 RESID 125 (L): CA 57.920 57.920 57.809 0.111 RESID 125 (L): CB 41.254 41.254 41.722 -0.468 RESID 125 (L): H 8.091 8.091 7.570 0.521 RESID 126 (T): N 112.939 112.939 112.352 0.587 RESID 126 (T): HA 4.045 4.045 4.207 -0.162 RESID 126 (T): C 176.662 176.662 176.769 -0.107 RESID 126 (T): CA 68.000 68.000 66.328 1.672 RESID 126 (T): CB 66.703 66.703 68.655 -1.952 RESID 126 (T): H 8.439 8.439 7.932 0.507 RESID 127 (S): N 116.674 116.674 117.885 -1.211 RESID 127 (S): HA 4.230 4.230 4.144 0.086 RESID 127 (S): C 177.500 177.500 176.672 0.828 RESID 127 (S): CA 61.651 61.651 61.581 0.070 RESID 127 (S): CB 62.770 62.770 62.891 -0.121 RESID 127 (S): H 7.830 7.830 8.634 -0.804 RESID 128 (K): N 122.748 122.748 122.823 -0.075 RESID 128 (K): HA 4.178 4.178 4.198 -0.020 RESID 128 (K): C 180.027 180.027 178.811 1.216 RESID 128 (K): CA 59.720 59.720 58.780 0.940 RESID 128 (K): CB 32.811 32.811 32.458 0.353 RESID 128 (K): H 7.837 7.837 7.790 0.047 RESID 129 (L): N 122.100 122.100 120.167 1.933 RESID 129 (L): HA 3.680 3.680 4.357 -0.677 RESID 129 (L): C 176.494 176.494 179.504 -3.010 RESID 129 (L): CA 57.837 57.837 57.666 0.171 RESID 129 (L): CB 41.142 41.142 41.241 -0.099 RESID 129 (L): H 8.389 8.389 7.973 0.416 RESID 130 (D): N 117.732 117.732 120.680 -2.948 RESID 130 (D): HA 4.104 4.104 4.618 -0.514 RESID 130 (D): C 178.771 178.771 178.587 0.184 RESID 130 (D): CA 57.828 57.828 57.395 0.433 RESID 130 (D): CB 41.591 41.591 40.682 0.909 RESID 130 (D): H 8.237 8.237 8.638 -0.401 RESID 131 (A): N 119.043 119.043 122.398 -3.355 RESID 131 (A): HA 4.031 4.031 4.228 -0.197 RESID 131 (A): C 180.501 180.501 179.711 0.790 RESID 131 (A): CA 55.080 55.080 55.235 -0.155 RESID 131 (A): CB 17.836 17.836 18.457 -0.621 RESID 131 (A): H 7.701 7.701 8.453 -0.752 RESID 132 (A): N 123.553 123.553 121.096 2.457 RESID 132 (A): HA 4.097 4.097 4.151 -0.054 RESID 132 (A): C 179.369 179.369 179.187 0.182 RESID 132 (A): CA 54.773 54.773 54.945 -0.172 RESID 132 (A): CB 18.260 18.260 18.314 -0.054 RESID 132 (A): H 7.862 7.862 8.187 -0.325 RESID 133 (Y): N 119.392 119.392 120.425 -1.033 RESID 133 (Y): HA 4.127 4.127 4.145 -0.018 RESID 133 (Y): C 180.484 180.484 177.880 2.604 RESID 133 (Y): CA 57.910 57.910 62.239 -4.329 RESID 133 (Y): CB 35.838 35.838 38.632 -2.793 RESID 133 (Y): H 8.847 8.847 7.864 0.983 RESID 134 (K): N 121.044 121.044 119.685 1.359 RESID 134 (K): HA 4.212 4.212 4.156 0.056 RESID 134 (K): C 178.998 178.998 179.219 -0.221 RESID 134 (K): CA 59.861 59.861 58.596 1.265 RESID 134 (K): CB 32.553 32.553 32.220 0.333 RESID 134 (K): H 8.298 8.298 8.076 0.222 RESID 135 (L): N 122.293 122.293 120.788 1.505 RESID 135 (L): HA 4.201 4.201 4.090 0.111 RESID 135 (L): C 180.381 180.381 178.333 2.048 RESID 135 (L): CA 57.871 57.871 57.717 0.154 RESID 135 (L): CB 41.852 41.852 41.522 0.330 RESID 135 (L): H 8.207 8.207 8.452 -0.245 RESID 136 (A): N 124.897 124.897 121.801 3.096 RESID 136 (A): HA 3.736 3.736 4.092 -0.356 RESID 136 (A): C 178.374 178.374 179.641 -1.267 RESID 136 (A): CA 56.103 56.103 54.876 1.227 RESID 136 (A): CB 17.563 17.563 18.399 -0.836 RESID 136 (A): H 8.614 8.614 8.518 0.096 RESID 137 (Y): N 118.204 118.204 119.713 -1.509 RESID 137 (Y): HA 4.334 4.334 2.873 1.461 RESID 137 (Y): C 177.390 177.390 177.908 -0.518 RESID 137 (Y): CA 62.357 62.357 60.336 2.021 RESID 137 (Y): CB 38.728 38.728 37.967 0.761 RESID 137 (Y): H 8.320 8.320 8.036 0.284 RESID 138 (K): N 119.255 119.255 119.760 -0.505 RESID 138 (K): HA 3.897 3.897 3.702 0.195 RESID 138 (K): C 179.695 179.695 178.612 1.083 RESID 138 (K): CA 59.242 59.242 59.449 -0.207 RESID 138 (K): CB 32.309 32.309 32.381 -0.072 RESID 138 (K): H 8.722 8.722 8.336 0.386 RESID 139 (T): N 116.244 116.244 111.354 4.890 RESID 139 (T): HA 4.120 4.120 4.037 0.083 RESID 139 (T): C 176.563 176.563 175.852 0.711 RESID 139 (T): CA 68.750 68.750 65.054 3.696 RESID 139 (T): CB 66.863 66.863 68.520 -1.657 RESID 139 (T): H 8.368 8.368 7.801 0.567 RESID 140 (A): N 124.310 124.310 124.596 -0.286 RESID 140 (A): HA 3.884 3.884 4.021 -0.137 RESID 140 (A): C 179.123 179.123 178.222 0.901 RESID 140 (A): CA 54.887 54.887 54.546 0.341 RESID 140 (A): CB 19.489 19.489 17.779 1.710 RESID 140 (A): H 8.207 8.207 7.361 0.846 RESID 141 (E): N 117.572 117.572 117.196 0.376 RESID 141 (E): HA 3.696 3.696 3.991 -0.295 RESID 141 (E): C 177.623 177.623 178.101 -0.478 RESID 141 (E): CA 58.472 58.472 58.109 0.363 RESID 141 (E): CB 29.633 29.633 29.646 -0.013 RESID 141 (E): H 8.324 8.324 7.397 0.927 RESID 142 (G): N 103.520 103.520 106.464 -2.944 RESID 142 (G): C 173.480 173.480 174.540 -1.060 RESID 142 (G): CA 44.841 44.841 45.519 -0.678 RESID 142 (G): H 7.333 7.333 7.333 -0.000 RESID 143 (A): N 124.154 124.154 122.945 1.209 RESID 143 (A): HA 4.475 4.475 4.291 0.184 RESID 143 (A): C 177.290 177.290 176.676 0.614 RESID 143 (A): CA 50.615 50.615 51.946 -1.331 RESID 143 (A): CB 19.859 19.859 19.340 0.519 RESID 143 (A): H 7.339 7.339 7.681 -0.342 RESID 144 (T): N 112.353 112.353 117.687 -5.334 RESID 144 (T): HA 4.431 4.431 4.300 0.131 RESID 144 (T): C 174.105 174.105 173.345 0.760 RESID 144 (T): CA 60.634 60.634 60.244 0.390 RESID 144 (T): CB 67.394 67.394 69.219 -1.825 RESID 144 (T): H 8.116 8.116 8.206 -0.090 RESID 145 (P): HA 3.914 3.914 4.286 -0.372 RESID 145 (P): C 179.300 179.300 176.284 3.016 RESID 145 (P): CA 66.875 66.875 63.620 3.255 RESID 145 (P): CB 32.327 32.327 32.122 0.205 RESID 146 (E): N 116.397 116.397 117.421 -1.024 RESID 146 (E): HA 4.178 4.178 4.005 0.173 RESID 146 (E): C 176.426 176.426 175.346 1.080 RESID 146 (E): CA 58.746 58.746 56.974 1.772 RESID 146 (E): CB 28.347 28.347 29.104 -0.757 RESID 146 (E): H 9.340 9.340 8.833 0.507 RESID 147 (A): N 123.484 123.484 118.565 4.919 RESID 147 (A): HA 4.678 4.678 4.605 0.073 RESID 147 (A): C 177.808 177.808 177.604 0.204 RESID 147 (A): CA 52.028 52.028 52.795 -0.767 RESID 147 (A): CB 20.943 20.943 20.576 0.367 RESID 147 (A): H 7.984 7.984 7.553 0.431 RESID 148 (K): N 120.663 120.663 121.118 -0.455 RESID 148 (K): HA 3.465 3.465 3.977 -0.512 RESID 148 (K): C 177.165 177.165 177.408 -0.243 RESID 148 (K): CA 61.675 61.675 59.550 2.125 RESID 148 (K): CB 33.075 33.075 31.953 1.122 RESID 148 (K): H 7.285 7.285 7.806 -0.521 RESID 149 (Y): N 118.061 118.061 120.173 -2.112 RESID 149 (Y): HA 4.059 4.059 4.264 -0.205 RESID 149 (Y): C 175.368 175.368 177.085 -1.717 RESID 149 (Y): CA 62.206 62.206 62.127 0.079 RESID 149 (Y): CB 37.386 37.386 37.958 -0.571 RESID 149 (Y): H 8.793 8.793 8.316 0.477 RESID 150 (D): N 118.180 118.180 119.341 -1.161 RESID 150 (D): HA 3.820 3.820 4.186 -0.366 RESID 150 (D): C 178.927 178.927 177.998 0.929 RESID 150 (D): CA 57.373 57.373 57.687 -0.313 RESID 150 (D): CB 40.511 40.511 39.850 0.661 RESID 150 (D): H 8.442 8.442 8.279 0.163 RESID 152 (Y): HA 3.803 3.803 4.141 -0.338 RESID 152 (Y): C 176.950 176.950 177.655 -0.705 RESID 152 (Y): CA 62.480 62.480 59.456 3.024 RESID 152 (Y): CB 39.180 39.180 38.048 1.132 RESID 153 (V): N 116.500 116.500 118.081 -1.581 RESID 153 (V): HA 2.980 2.980 2.974 0.006 RESID 153 (V): C 178.920 178.920 178.188 0.732 RESID 153 (V): CA 66.800 66.800 65.775 1.025 RESID 153 (V): CB 31.730 31.730 30.716 1.014 RESID 153 (V): H 8.126 8.126 7.866 0.260 RESID 154 (A): N 122.151 122.151 121.584 0.567 RESID 154 (A): HA 3.981 3.981 3.971 0.010 RESID 154 (A): C 176.909 176.909 179.450 -2.541 RESID 154 (A): CA 55.037 55.037 55.161 -0.124 RESID 154 (A): CB 18.243 18.243 18.257 -0.014 RESID 154 (A): H 8.363 8.363 8.294 0.069 RESID 155 (T): N 114.478 114.478 116.909 -2.431 RESID 155 (T): HA 3.807 3.807 3.928 -0.121 RESID 155 (T): C 176.582 176.582 176.280 0.302 RESID 155 (T): CA 66.731 66.731 66.802 -0.071 RESID 155 (T): CB 68.550 68.550 68.758 -0.208 RESID 155 (T): H 7.590 7.590 7.779 -0.189 RESID 156 (L): N 122.590 122.590 119.970 2.620 RESID 156 (L): HA 3.873 3.873 4.128 -0.255 RESID 156 (L): CA 57.829 57.829 57.266 0.563 RESID 156 (L): CB 42.149 42.149 41.697 0.452 RESID 156 (L): H 8.449 8.449 7.589 0.860 RESID 157 (S): N 112.486 112.486 114.064 -1.578 RESID 157 (S): HA 3.873 3.873 4.137 -0.264 RESID 157 (S): C 177.485 177.485 176.547 0.938 RESID 157 (S): CA 62.556 62.556 61.707 0.849 RESID 157 (S): CB 61.390 61.390 62.706 -1.316 RESID 157 (S): H 8.705 8.705 7.946 0.759 RESID 158 (E): N 121.019 121.019 123.312 -2.293 RESID 158 (E): HA 4.124 4.124 4.089 0.035 RESID 158 (E): C 177.558 177.558 178.416 -0.858 RESID 158 (E): CA 58.615 58.615 59.043 -0.428 RESID 158 (E): CB 29.232 29.232 29.496 -0.264 RESID 158 (E): H 7.408 7.408 7.797 -0.389 RESID 159 (A): N 120.731 120.731 122.190 -1.459 RESID 159 (A): HA 4.121 4.121 4.127 -0.006 RESID 159 (A): C 181.006 181.006 179.987 1.019 RESID 159 (A): CA 55.181 55.181 55.228 -0.047 RESID 159 (A): CB 18.546 18.546 18.385 0.161 RESID 159 (A): H 7.803 7.803 7.843 -0.040 RESID 160 (L): N 116.637 116.637 118.604 -1.967 RESID 160 (L): HA 3.901 3.901 3.994 -0.093 RESID 160 (L): C 179.216 179.216 179.004 0.212 RESID 160 (L): CA 57.843 57.843 57.401 0.442 RESID 160 (L): CB 41.050 41.050 41.706 -0.656 RESID 160 (L): H 8.670 8.670 7.840 0.830 RESID 161 (R): N 121.986 121.986 120.230 1.756 RESID 161 (R): HA 3.908 3.908 3.997 -0.089 RESID 161 (R): C 179.790 179.790 178.831 0.959 RESID 161 (R): CA 59.657 59.657 59.566 0.091 RESID 161 (R): CB 29.935 29.935 30.174 -0.239 RESID 161 (R): H 7.914 7.914 8.156 -0.242 RESID 162 (I): N 120.810 120.810 119.982 0.828 RESID 162 (I): HA 3.683 3.683 3.815 -0.132 RESID 162 (I): C 179.685 179.685 177.234 2.451 RESID 162 (I): CA 64.321 64.321 64.005 0.316 RESID 162 (I): CB 37.832 37.832 38.335 -0.503 RESID 162 (I): H 7.895 7.895 7.980 -0.085 RESID 163 (I): HA 3.560 3.560 3.623 -0.063 RESID 163 (I): CA 65.367 65.367 64.515 0.852 RESID 163 (I): CB 38.510 38.510 37.961 0.549 RESID 164 (A): N 121.450 121.450 121.032 0.418 RESID 164 (A): HA 3.938 3.938 4.019 -0.081 RESID 164 (A): C 179.920 179.920 179.249 0.671 RESID 164 (A): CA 55.090 55.090 54.957 0.133 RESID 164 (A): CB 18.170 18.170 18.197 -0.027 RESID 164 (A): H 8.525 8.525 7.879 0.646 RESID 165 (G): N 104.876 104.876 103.368 1.508 RESID 165 (G): C 175.831 175.831 174.953 0.878 RESID 165 (G): CA 46.602 46.602 45.839 0.763 RESID 165 (G): H 7.921 7.921 7.785 0.136 RESID 166 (T): N 111.734 111.734 115.526 -3.792 RESID 166 (T): HA 4.306 4.306 4.375 -0.069 RESID 166 (T): C 175.095 175.095 174.880 0.215 RESID 166 (T): CA 63.000 63.000 63.333 -0.333 RESID 166 (T): CB 69.795 69.795 69.480 0.315 RESID 166 (T): H 7.786 7.786 7.310 0.476 RESID 167 (L): N 121.291 121.291 120.489 0.802 RESID 167 (L): HA 4.262 4.262 4.521 -0.259 RESID 167 (L): C 177.004 177.004 176.849 0.155 RESID 167 (L): CA 55.040 55.040 55.222 -0.182 RESID 167 (L): CB 42.292 42.292 42.639 -0.347 RESID 167 (L): H 7.456 7.456 7.570 -0.114 RESID 168 (E): N 119.686 119.686 117.382 2.304 RESID 168 (E): HA 4.151 4.151 4.268 -0.117 RESID 168 (E): C 176.001 176.001 175.472 0.529 RESID 168 (E): CA 56.210 56.210 56.190 0.020 RESID 168 (E): CB 30.242 30.242 30.108 0.134 RESID 168 (E): H 7.840 7.840 7.619 0.221 RESID 169 (V): N 120.922 120.922 119.442 1.480 RESID 169 (V): HA 3.979 3.979 4.097 -0.118 RESID 169 (V): C 175.876 175.876 174.804 1.072 RESID 169 (V): CA 56.270 56.270 61.001 -4.731 RESID 169 (V): H 8.060 8.060 7.340 0.720 RESID 170 (H): N 122.829 122.829 126.555 -3.726 RESID 170 (H): HA 4.626 4.626 4.489 0.137 RESID 170 (H): C 174.023 174.023 174.775 -0.752 RESID 170 (H): CA 55.025 55.025 56.676 -1.651 RESID 170 (H): CB 29.661 29.661 30.285 -0.624 RESID 170 (H): H 8.560 8.560 8.227 0.333 RESID 171 (A): N 125.857 125.857 127.037 -1.180 RESID 171 (A): HA 4.206 4.206 4.387 -0.181 RESID 171 (A): C 177.398 177.398 176.523 0.875 RESID 171 (A): CA 52.300 52.300 52.889 -0.589 RESID 171 (A): CB 18.300 18.300 19.581 -1.281 RESID 171 (A): H 8.393 8.393 8.538 -0.145 RESID 172 (V): N 120.329 120.329 118.340 1.989 RESID 172 (V): HA 4.011 4.011 4.240 -0.229 RESID 172 (V): C 175.833 175.833 176.461 -0.628 RESID 172 (V): CA 61.923 61.923 63.115 -1.192 RESID 172 (V): CB 32.550 32.550 32.442 0.108 RESID 172 (V): H 8.238 8.238 8.047 0.191 RESID 173 (K): N 127.029 127.029 121.081 5.948 RESID 173 (K): C 174.205 174.205 175.034 -0.829 RESID 173 (K): CA 54.059 54.059 54.368 -0.309 RESID 173 (K): CB 32.437 32.437 32.561 -0.124 RESID 173 (K): H 8.442 8.442 7.941 0.500 RESID 174 (P): HA 4.322 4.322 4.271 0.051 RESID 174 (P): CA 63.140 63.140 64.202 -1.062 RESID 174 (P): CB 32.320 32.320 31.528 0.792 RESID 175 (A): N 125.330 125.330 118.230 7.100 RESID 175 (A): HA 4.189 4.189 4.084 0.105 RESID 175 (A): C 178.296 178.296 177.967 0.329 RESID 175 (A): CA 53.043 53.043 53.019 0.024 RESID 175 (A): CB 19.376 19.376 19.063 0.313 RESID 175 (A): H 8.430 8.430 7.689 0.741 RESID 176 (A): N 123.143 123.143 120.314 2.829 RESID 176 (A): HA 4.204 4.204 3.943 0.261 RESID 176 (A): C 177.718 177.718 176.679 1.039 RESID 176 (A): CA 52.432 52.432 52.532 -0.100 RESID 176 (A): CB 19.500 19.500 18.125 1.375 RESID 176 (A): H 8.326 8.326 7.562 0.764 RESID 177 (E): N 119.752 119.752 120.489 -0.737 RESID 177 (E): HA 4.142 4.142 4.148 -0.006 RESID 177 (E): C 176.350 176.350 176.429 -0.079 RESID 177 (E): CA 56.302 56.302 56.614 -0.312 RESID 177 (E): CB 30.333 30.333 30.155 0.178 RESID 177 (E): H 8.354 8.354 8.226 0.128 RESID 178 (E): N 122.557 122.557 125.058 -2.501 RESID 178 (E): HA 4.193 4.193 4.184 0.009 RESID 178 (E): C 176.260 176.260 175.883 0.377 RESID 178 (E): CA 56.307 56.307 57.244 -0.937 RESID 178 (E): CB 30.542 30.542 28.694 1.848 RESID 178 (E): H 8.395 8.395 8.625 -0.230 RESID 179 (V): N 122.787 122.787 121.002 1.785 RESID 179 (V): HA 3.983 3.983 4.378 -0.395 RESID 179 (V): C 175.871 175.871 174.472 1.399 RESID 179 (V): CA 62.225 62.225 60.373 1.852 RESID 179 (V): CB 32.459 32.459 34.708 -2.249 RESID 179 (V): H 8.232 8.232 7.748 0.484 RESID 180 (K): N 126.356 126.356 122.832 3.524 RESID 180 (K): HA 4.315 4.315 4.331 -0.016 RESID 180 (K): C 176.090 176.090 177.184 -1.094 RESID 180 (K): CA 55.880 55.880 56.348 -0.468 RESID 180 (K): CB 33.000 33.000 32.693 0.307 RESID 180 (K): H 8.427 8.427 8.182 0.245 RESID 181 (V): N 122.752 122.752 124.536 -1.784 RESID 181 (V): HA 4.043 4.043 4.070 -0.027 RESID 181 (V): C 175.754 175.754 175.197 0.557 RESID 181 (V): CA 61.803 61.803 62.488 -0.685 RESID 181 (V): CB 33.155 33.155 30.921 2.234 RESID 181 (V): H 8.244 8.244 8.535 -0.291 RESID 182 (I): N 127.826 127.826 124.358 3.468 RESID 182 (I): C 174.257 174.257 174.340 -0.083 RESID 182 (I): CA 58.244 58.244 58.765 -0.521 RESID 182 (I): CB 38.555 38.555 37.995 0.560 RESID 182 (I): H 8.388 8.388 7.562 0.826 RESID 183 (P): HA 4.330 4.330 4.309 0.021 RESID 183 (P): C 176.700 176.700 176.211 0.489 RESID 183 (P): CA 63.230 63.230 63.676 -0.446 RESID 183 (P): CB 32.380 32.380 32.211 0.169 RESID 184 (A): N 124.690 124.690 118.972 5.718 RESID 184 (A): HA 4.193 4.193 4.366 -0.173 RESID 184 (A): C 178.758 178.758 175.406 3.352 RESID 184 (A): CA 53.320 53.320 51.467 1.853 RESID 184 (A): CB 19.340 19.340 21.605 -2.265 RESID 184 (A): H 8.485 8.485 7.389 1.096 RESID 185 (G): N 107.324 107.324 106.457 0.867 RESID 185 (G): C 174.758 174.758 174.107 0.651 RESID 185 (G): CA 45.717 45.717 44.837 0.880 RESID 185 (G): H 8.527 8.527 8.097 0.430 RESID 186 (E): N 120.410 120.410 121.753 -1.343 RESID 186 (E): HA 4.170 4.170 3.834 0.336 RESID 186 (E): C 177.470 177.470 177.201 0.269 RESID 186 (E): CA 57.890 57.890 58.876 -0.986 RESID 186 (E): CB 30.180 30.180 28.483 1.697 RESID 186 (E): H 8.262 8.262 8.895 -0.633 RESID 187 (L): N 121.652 121.652 120.201 1.451 RESID 187 (L): HA 4.140 4.140 4.222 -0.082 RESID 187 (L): C 178.002 178.002 178.973 -0.971 RESID 187 (L): CA 56.458 56.458 57.743 -1.285 RESID 187 (L): CB 42.056 42.056 41.067 0.989 RESID 187 (L): H 8.247 8.247 8.219 0.028 RESID 188 (Q): N 119.063 119.063 117.757 1.306 RESID 188 (Q): HA 4.205 4.205 4.094 0.111 RESID 188 (Q): C 177.544 177.544 178.045 -0.501 RESID 188 (Q): CA 57.584 57.584 58.466 -0.882 RESID 188 (Q): CB 28.421 28.421 27.799 0.622 RESID 188 (Q): H 8.377 8.377 8.677 -0.300 RESID 189 (V): N 118.808 118.808 121.193 -2.385 RESID 189 (V): HA 3.680 3.680 3.884 -0.204 RESID 189 (V): C 177.439 177.439 176.914 0.525 RESID 189 (V): CA 65.376 65.376 63.839 1.537 RESID 189 (V): CB 31.970 31.970 31.275 0.695 RESID 189 (V): H 7.872 7.872 7.642 0.230 RESID 190 (I): N 120.522 120.522 120.357 0.165 RESID 190 (I): HA 3.694 3.694 3.770 -0.076 RESID 190 (I): C 177.364 177.364 176.816 0.548 RESID 190 (I): CA 63.323 63.323 63.629 -0.306 RESID 190 (I): CB 36.643 36.643 37.724 -1.081 RESID 190 (I): H 8.119 8.119 7.782 0.337 RESID 191 (E): N 120.185 120.185 119.912 0.273 RESID 191 (E): HA 4.141 4.141 3.948 0.193 RESID 191 (E): C 179.310 179.310 178.657 0.653 RESID 191 (E): CA 59.756 59.756 59.638 0.118 RESID 191 (E): CB 29.276 29.276 29.212 0.064 RESID 191 (E): H 8.175 8.175 8.079 0.096 RESID 192 (K): N 118.771 118.771 120.019 -1.248 RESID 192 (K): HA 4.211 4.211 4.054 0.157 RESID 192 (K): C 178.933 178.933 178.836 0.097 RESID 192 (K): CA 58.020 58.020 59.328 -1.308 RESID 192 (K): CB 31.710 31.710 32.282 -0.572 RESID 192 (K): H 7.720 7.720 7.658 0.062 RESID 193 (V): N 121.979 121.979 119.820 2.159 RESID 193 (V): HA 3.537 3.537 3.672 -0.135 RESID 193 (V): C 176.912 176.912 178.439 -1.527 RESID 193 (V): CA 66.974 66.974 66.742 0.232 RESID 193 (V): CB 31.451 31.451 31.586 -0.135 RESID 193 (V): H 8.336 8.336 7.517 0.819 RESID 194 (D): N 121.596 121.596 119.427 2.169 RESID 194 (D): HA 4.396 4.396 4.404 -0.008 RESID 194 (D): C 178.097 178.097 178.525 -0.428 RESID 194 (D): CA 57.899 57.899 57.304 0.595 RESID 194 (D): CB 41.740 41.740 40.256 1.484 RESID 194 (D): H 8.588 8.588 7.921 0.667 RESID 195 (A): N 119.998 119.998 122.065 -2.067 RESID 195 (A): HA 4.101 4.101 4.211 -0.110 RESID 195 (A): C 180.638 180.638 179.908 0.730 RESID 195 (A): CA 55.393 55.393 54.945 0.448 RESID 195 (A): CB 17.915 17.915 18.405 -0.490 RESID 195 (A): H 7.834 7.834 7.502 0.332 RESID 196 (A): N 121.520 121.520 121.222 0.298 RESID 196 (A): HA 4.043 4.043 4.071 -0.028 RESID 196 (A): C 178.986 178.986 179.694 -0.708 RESID 196 (A): CA 54.730 54.730 54.632 0.098 RESID 196 (A): CB 19.220 19.220 18.118 1.102 RESID 196 (A): H 8.198 8.198 8.490 -0.292 RESID 197 (F): N 120.035 120.035 118.274 1.761 RESID 197 (F): HA 3.861 3.861 4.361 -0.500 RESID 197 (F): C 176.055 176.055 177.128 -1.073 RESID 197 (F): CA 61.833 61.833 61.449 0.384 RESID 197 (F): CB 39.090 39.090 39.545 -0.455 RESID 197 (F): H 9.092 9.092 7.804 1.288 RESID 198 (K): N 118.265 118.265 119.855 -1.590 RESID 198 (K): HA 3.815 3.815 4.038 -0.223 RESID 198 (K): C 180.112 180.112 178.537 1.575 RESID 198 (K): CA 59.826 59.826 59.993 -0.167 RESID 198 (K): CB 32.347 32.347 32.233 0.114 RESID 198 (K): H 7.863 7.863 8.380 -0.517 RESID 199 (V): N 119.799 119.799 117.970 1.829 RESID 199 (V): HA 3.623 3.623 3.827 -0.204 RESID 199 (V): C 178.666 178.666 176.889 1.777 RESID 199 (V): CA 66.074 66.074 64.635 1.439 RESID 199 (V): CB 31.831 31.831 31.705 0.126 RESID 199 (V): H 7.580 7.580 7.818 -0.238 RESID 200 (A): N 125.339 125.339 120.984 4.355 RESID 200 (A): HA 3.635 3.635 4.176 -0.541 RESID 200 (A): C 178.388 178.388 177.897 0.491 RESID 200 (A): CA 54.843 54.843 53.693 1.150 RESID 200 (A): CB 18.830 18.830 18.355 0.475 RESID 200 (A): H 8.166 8.166 7.363 0.803 RESID 201 (A): N 120.805 120.805 121.933 -1.128 RESID 201 (A): HA 4.000 4.000 4.109 -0.109 RESID 201 (A): C 180.740 180.740 179.321 1.419 RESID 201 (A): CA 54.550 54.550 54.797 -0.247 RESID 201 (A): CB 18.124 18.124 19.361 -1.238 RESID 201 (A): H 7.386 7.386 7.867 -0.481 RESID 202 (T): N 114.816 114.816 114.626 0.190 RESID 202 (T): HA 4.200 4.200 4.050 0.150 RESID 202 (T): C 175.840 175.840 176.223 -0.383 RESID 202 (T): CA 60.920 60.920 65.812 -4.892 RESID 202 (T): CB 62.070 62.070 68.661 -6.591 RESID 202 (T): H 8.322 8.322 7.987 0.335 RESID 203 (A): N 124.550 124.550 123.740 0.810 RESID 203 (A): HA 3.989 3.989 4.080 -0.091 RESID 203 (A): C 180.575 180.575 178.589 1.986 RESID 203 (A): CA 55.042 55.042 54.767 0.275 RESID 203 (A): CB 17.675 17.675 17.972 -0.297 RESID 203 (A): H 7.592 7.592 7.804 -0.212 RESID 204 (A): N 121.361 121.361 119.736 1.625 RESID 204 (A): HA 4.187 4.187 4.015 0.172 RESID 204 (A): C 179.867 179.867 179.342 0.525 RESID 204 (A): CA 55.224 55.224 53.665 1.559 RESID 204 (A): CB 18.791 18.791 18.929 -0.138 RESID 204 (A): H 8.758 8.758 7.720 1.038 RESID 205 (N): N 115.185 115.185 118.823 -3.638 RESID 205 (N): HA 4.189 4.189 4.306 -0.117 RESID 205 (N): C 175.555 175.555 176.595 -1.040 RESID 205 (N): CA 56.410 56.410 55.297 1.113 RESID 205 (N): CB 39.066 39.066 38.210 0.856 RESID 205 (N): H 8.220 8.220 8.233 -0.013 RESID 206 (A): N 117.946 117.946 119.908 -1.962 RESID 206 (A): HA 4.270 4.270 4.158 0.112 RESID 206 (A): C 176.827 176.827 176.774 0.053 RESID 206 (A): CA 56.138 56.138 52.898 3.240 RESID 206 (A): CB 18.200 18.200 18.917 -0.717 RESID 206 (A): H 6.965 6.965 7.853 -0.888 RESID 207 (A): N 122.916 122.916 120.496 2.420 RESID 207 (A): HA 4.600 4.600 4.645 -0.045 RESID 207 (A): C 174.478 174.478 174.233 0.245 RESID 207 (A): CA 50.196 50.196 49.113 1.083 RESID 207 (A): CB 18.287 18.287 19.989 -1.702 RESID 207 (A): H 7.240 7.240 7.414 -0.174 RESID 208 (P): HA 4.373 4.373 4.223 0.150 RESID 208 (P): C 177.440 177.440 176.860 0.580 RESID 208 (P): CA 62.600 62.600 63.119 -0.519 RESID 208 (P): CB 32.243 32.243 32.487 -0.244 RESID 209 (A): N 122.883 122.883 121.642 1.241 RESID 209 (A): HA 3.726 3.726 3.720 0.006 RESID 209 (A): C 179.474 179.474 178.838 0.636 RESID 209 (A): CA 56.155 56.155 54.474 1.681 RESID 209 (A): CB 19.099 19.099 19.192 -0.093 RESID 209 (A): H 8.620 8.620 8.521 0.099 RESID 210 (N): N 113.093 113.093 115.732 -2.639 RESID 210 (N): HA 4.519 4.519 4.465 0.054 RESID 210 (N): C 176.000 176.000 175.166 0.834 RESID 210 (N): CA 55.226 55.226 55.451 -0.225 RESID 210 (N): CB 38.057 38.057 37.631 0.426 RESID 210 (N): H 8.933 8.933 8.814 0.119 RESID 211 (D): N 117.648 117.648 113.499 4.149 RESID 211 (D): HA 5.050 5.050 4.744 0.306 RESID 211 (D): C 175.953 175.953 175.397 0.556 RESID 211 (D): CA 54.110 54.110 52.969 1.141 RESID 211 (D): CB 42.936 42.936 39.133 3.803 RESID 211 (D): H 8.111 8.111 8.222 -0.111 RESID 212 (K): N 118.713 118.713 119.016 -0.303 RESID 212 (K): HA 3.324 3.324 4.401 -1.077 RESID 212 (K): C 177.524 177.524 177.020 0.504 RESID 212 (K): CA 61.984 61.984 56.881 5.103 RESID 212 (K): CB 32.789 32.789 33.739 -0.950 RESID 212 (K): H 7.145 7.145 8.032 -0.887 RESID 213 (F): N 113.700 113.700 118.813 -5.113 RESID 213 (F): HA 4.087 4.087 4.177 -0.090 RESID 213 (F): C 178.141 178.141 177.735 0.406 RESID 213 (F): CA 62.473 62.473 62.076 0.397 RESID 213 (F): CB 38.303 38.303 38.592 -0.289 RESID 213 (F): H 8.026 8.026 8.025 0.001 RESID 214 (T): N 115.378 115.378 114.862 0.516 RESID 214 (T): C 178.124 178.124 176.733 1.391 RESID 214 (T): CA 65.503 65.503 66.976 -1.473 RESID 214 (T): CB 68.803 68.803 68.476 0.327 RESID 214 (T): H 7.917 7.917 8.426 -0.509 RESID 215 (V): N 122.692 122.692 120.254 2.438 RESID 215 (V): HA 3.659 3.659 3.667 -0.008 RESID 215 (V): C 177.771 177.771 177.453 0.318 RESID 215 (V): CA 66.361 66.361 66.090 0.271 RESID 215 (V): CB 31.360 31.360 31.694 -0.334 RESID 215 (V): H 8.430 8.430 7.495 0.935 RESID 216 (F): N 119.847 119.847 122.011 -2.164 RESID 216 (F): HA 3.799 3.799 4.020 -0.221 RESID 216 (F): C 176.989 176.989 177.233 -0.244 RESID 216 (F): CA 62.705 62.705 61.884 0.821 RESID 216 (F): CB 39.327 39.327 38.909 0.418 RESID 216 (F): H 8.651 8.651 7.638 1.013 RESID 217 (E): N 117.144 117.144 118.501 -1.357 RESID 217 (E): HA 3.863 3.863 3.989 -0.126 RESID 217 (E): C 177.894 177.894 179.011 -1.117 RESID 217 (E): CA 61.877 61.877 59.213 2.664 RESID 217 (E): CB 30.062 30.062 29.357 0.706 RESID 217 (E): H 8.650 8.650 9.087 -0.437 RESID 218 (A): N 119.130 119.130 122.367 -3.237 RESID 218 (A): HA 4.213 4.213 4.252 -0.039 RESID 218 (A): C 180.238 180.238 179.244 0.994 RESID 218 (A): CA 55.118 55.118 54.758 0.360 RESID 218 (A): CB 18.020 18.020 18.442 -0.421 RESID 218 (A): H 7.759 7.759 7.692 0.067 RESID 219 (A): N 119.419 119.419 121.435 -2.016 RESID 219 (A): HA 4.146 4.146 3.991 0.155 RESID 219 (A): C 180.499 180.499 179.460 1.039 RESID 219 (A): CA 54.530 54.530 54.414 0.116 RESID 219 (A): CB 18.890 18.890 18.627 0.263 RESID 219 (A): H 8.475 8.475 8.259 0.216 RESID 220 (F): N 120.754 120.754 118.866 1.888 RESID 220 (F): HA 4.196 4.196 3.773 0.423 RESID 220 (F): C 177.427 177.427 177.027 0.400 RESID 220 (F): CA 58.832 58.832 61.502 -2.670 RESID 220 (F): CB 39.740 39.740 38.177 1.563 RESID 220 (F): H 9.026 9.026 8.586 0.440 RESID 221 (N): N 116.941 116.941 116.123 0.818 RESID 221 (N): HA 4.390 4.390 4.396 -0.006 RESID 221 (N): CA 56.230 56.230 55.466 0.764 RESID 221 (N): CB 37.995 37.995 38.377 -0.382 RESID 221 (N): H 8.485 8.485 7.683 0.802 RESID 222 (D): N 119.493 119.493 120.662 -1.169 RESID 222 (D): HA 4.366 4.366 4.536 -0.170 RESID 222 (D): C 178.832 178.832 177.825 1.007 RESID 222 (D): CA 57.697 57.697 56.996 0.701 RESID 222 (D): CB 40.537 40.537 41.072 -0.535 RESID 222 (D): H 8.283 8.283 7.964 0.319 RESID 223 (A): N 122.201 122.201 121.609 0.592 RESID 223 (A): HA 4.138 4.138 4.000 0.138 RESID 223 (A): CA 54.892 54.892 54.770 0.122 RESID 223 (A): CB 18.251 18.251 18.131 0.120 RESID 223 (A): H 8.175 8.175 8.377 -0.202 RESID 224 (I): N 122.960 122.960 116.834 6.126 RESID 224 (I): HA 3.396 3.396 3.573 -0.177 RESID 224 (I): C 178.030 178.030 177.494 0.536 RESID 224 (I): CA 65.320 65.320 64.234 1.086 RESID 224 (I): CB 38.150 38.150 37.967 0.183 RESID 224 (I): H 8.525 8.525 7.306 1.219 RESID 225 (K): N 124.150 124.150 120.560 3.590 RESID 225 (K): HA 4.130 4.130 4.113 0.017 RESID 225 (K): C 179.190 179.190 178.646 0.544 RESID 225 (K): CA 58.594 58.594 58.972 -0.378 RESID 225 (K): CB 32.489 32.489 32.210 0.279 RESID 225 (K): H 8.457 8.457 7.340 1.117 RESID 226 (A): N 119.804 119.804 121.647 -1.843 RESID 226 (A): HA 4.128 4.128 3.997 0.131 RESID 226 (A): C 181.843 181.843 179.844 1.999 RESID 226 (A): CA 55.012 55.012 55.108 -0.097 RESID 226 (A): CB 18.473 18.473 18.118 0.355 RESID 226 (A): H 8.191 8.191 8.597 -0.406 RESID 227 (S): N 113.402 113.402 112.682 0.720 RESID 227 (S): HA 4.350 4.350 4.283 0.067 RESID 227 (S): C 176.071 176.071 175.678 0.393 RESID 227 (S): CA 61.259 61.259 60.678 0.581 RESID 227 (S): CB 63.414 63.414 63.439 -0.025 RESID 227 (S): H 8.568 8.568 8.101 0.467 RESID 228 (T): N 109.170 109.170 115.409 -6.239 RESID 228 (T): HA 4.605 4.605 4.528 0.077 RESID 228 (T): CA 61.453 61.453 60.294 1.159 RESID 228 (T): CB 69.732 69.732 68.278 1.454 RESID 228 (T): H 7.804 7.804 7.626 0.178 RESID 229 (G): N 113.451 113.451 110.700 2.751 RESID 229 (G): C 178.132 178.132 174.941 3.191 RESID 229 (G): CA 47.149 47.149 46.160 0.989 RESID 229 (G): H 7.988 7.988 7.661 0.327 RESID 230 (G): N 105.298 105.298 107.777 -2.479 RESID 230 (G): C 173.856 173.856 173.073 0.783 RESID 230 (G): CA 44.492 44.492 44.453 0.039 RESID 230 (G): H 8.792 8.792 8.205 0.587 RESID 231 (A): N 122.893 122.893 124.522 -1.629 RESID 231 (A): HA 3.777 3.777 4.108 -0.331 RESID 231 (A): C 177.041 177.041 175.783 1.258 RESID 231 (A): CA 54.513 54.513 52.166 2.347 RESID 231 (A): CB 18.998 18.998 19.565 -0.567 RESID 231 (A): H 7.467 7.467 7.435 0.032 RESID 232 (Y): N 112.629 112.629 117.510 -4.881 RESID 232 (Y): HA 4.396 4.396 4.825 -0.429 RESID 232 (Y): C 174.659 174.659 174.037 0.622 RESID 232 (Y): CA 55.932 55.932 56.217 -0.285 RESID 232 (Y): CB 39.848 39.848 40.746 -0.898 RESID 232 (Y): H 7.332 7.332 7.366 -0.034 RESID 233 (E): N 117.684 117.684 118.010 -0.326 RESID 233 (E): HA 3.790 3.790 4.482 -0.692 RESID 233 (E): C 174.348 174.348 175.857 -1.509 RESID 233 (E): CA 57.064 57.064 56.056 1.008 RESID 233 (E): CB 30.734 30.734 31.046 -0.312 RESID 233 (E): H 7.995 7.995 8.788 -0.793 RESID 234 (S): N 107.099 107.099 112.307 -5.208 RESID 234 (S): HA 4.495 4.495 4.639 -0.144 RESID 234 (S): C 175.141 175.141 172.523 2.618 RESID 234 (S): CA 55.872 55.872 57.589 -1.717 RESID 234 (S): CB 64.988 64.988 64.153 0.835 RESID 234 (S): H 7.318 7.318 7.622 -0.304 RESID 235 (Y): N 119.162 119.162 122.268 -3.106 RESID 235 (Y): HA 4.093 4.093 4.831 -0.738 RESID 235 (Y): C 175.305 175.305 174.577 0.728 RESID 235 (Y): CA 59.694 59.694 58.547 1.147 RESID 235 (Y): CB 37.650 37.650 37.577 0.074 RESID 235 (Y): H 8.629 8.629 8.713 -0.084 RESID 236 (K): N 118.163 118.163 122.649 -4.486 RESID 236 (K): HA 3.573 3.573 4.245 -0.672 RESID 236 (K): C 176.427 176.427 175.785 0.642 RESID 236 (K): CA 58.000 58.000 56.272 1.728 RESID 236 (K): CB 31.520 31.520 32.563 -1.043 RESID 236 (K): H 7.384 7.384 8.055 -0.671 RESID 237 (F): N 115.377 115.377 118.340 -2.963 RESID 237 (F): HA 4.433 4.433 4.012 0.421 RESID 237 (F): C 174.114 174.114 174.602 -0.488 RESID 237 (F): CA 57.852 57.852 59.346 -1.494 RESID 237 (F): CB 39.745 39.745 37.925 1.820 RESID 237 (F): H 7.258 7.258 7.775 -0.517 RESID 238 (I): N 120.764 120.764 119.849 0.915 RESID 238 (I): HA 4.409 4.409 4.212 0.197 RESID 238 (I): CA 58.300 58.300 57.479 0.821 RESID 238 (I): CB 38.600 38.600 39.350 -0.750 RESID 238 (I): H 7.389 7.389 6.583 0.806 RESID 239 (P): HA 4.306 4.306 4.248 0.058 RESID 239 (P): C 178.950 178.950 176.554 2.396 RESID 239 (P): CA 66.670 66.670 63.869 2.801 RESID 239 (P): CB 32.190 32.190 31.989 0.201 RESID 240 (A): N 118.854 118.854 119.722 -0.868 RESID 240 (A): HA 4.134 4.134 3.973 0.161 RESID 240 (A): CA 55.031 55.031 53.779 1.252 RESID 240 (A): CB 18.841 18.841 18.125 0.716 RESID 240 (A): H 9.101 9.101 8.473 0.628 RESID 241 (L): N 118.846 118.846 120.558 -1.712 RESID 241 (L): HA 4.250 4.250 4.029 0.221 RESID 241 (L): C 177.407 177.407 179.069 -1.662 RESID 241 (L): CA 56.333 56.333 58.138 -1.805 RESID 241 (L): CB 42.390 42.390 41.627 0.763 RESID 241 (L): H 7.731 7.731 7.813 -0.082 RESID 242 (E): N 122.048 122.048 119.962 2.086 RESID 242 (E): HA 3.961 3.961 4.244 -0.283 RESID 242 (E): C 178.465 178.465 178.667 -0.202 RESID 242 (E): CA 60.820 60.820 59.848 0.972 RESID 242 (E): CB 28.886 28.886 29.355 -0.469 RESID 242 (E): H 8.705 8.705 8.731 -0.026 RESID 243 (A): N 118.880 118.880 121.633 -2.753 RESID 243 (A): HA 4.038 4.038 4.415 -0.377 RESID 243 (A): C 179.841 179.841 179.228 0.613 RESID 243 (A): CA 54.930 54.930 54.141 0.789 RESID 243 (A): CB 17.700 17.700 18.402 -0.702 RESID 243 (A): H 8.105 8.105 7.943 0.162 RESID 244 (A): N 121.399 121.399 121.927 -0.528 RESID 244 (A): HA 4.037 4.037 4.008 0.029 RESID 244 (A): C 179.839 179.839 179.710 0.129 RESID 244 (A): CA 55.418 55.418 55.298 0.120 RESID 244 (A): H 7.491 7.491 8.784 -1.293 RESID 245 (V): N 120.239 120.239 117.564 2.675 RESID 245 (V): HA 3.382 3.382 3.676 -0.294 RESID 245 (V): C 177.909 177.909 177.958 -0.049 RESID 245 (V): CA 67.163 67.163 66.301 0.862 RESID 245 (V): CB 31.790 31.790 31.145 0.645 RESID 245 (V): H 8.612 8.612 7.585 1.027 RESID 246 (K): N 119.270 119.270 119.736 -0.466 RESID 246 (K): HA 4.165 4.165 3.942 0.223 RESID 246 (K): C 180.603 180.603 179.005 1.598 RESID 246 (K): CA 60.553 60.553 59.159 1.394 RESID 246 (K): CB 31.828 31.828 32.175 -0.347 RESID 246 (K): H 8.366 8.366 7.774 0.592 RESID 247 (Q): N 120.085 120.085 118.019 2.066 RESID 247 (Q): HA 4.055 4.055 4.086 -0.031 RESID 247 (Q): C 178.255 178.255 178.272 -0.017 RESID 247 (Q): CA 58.524 58.524 58.452 0.072 RESID 247 (Q): CB 28.234 28.234 28.858 -0.624 RESID 247 (Q): H 8.302 8.302 7.665 0.637 RESID 248 (A): N 125.463 125.463 122.829 2.634 RESID 248 (A): HA 3.877 3.877 4.052 -0.175 RESID 248 (A): C 179.700 179.700 179.868 -0.168 RESID 248 (A): CA 55.253 55.253 55.172 0.081 RESID 248 (A): CB 18.658 18.658 18.263 0.395 RESID 248 (A): H 8.194 8.194 7.584 0.610 RESID 249 (Y): N 116.381 116.381 116.431 -0.050 RESID 249 (Y): HA 4.300 4.300 4.717 -0.417 RESID 249 (Y): C 180.993 180.993 178.207 2.786 RESID 249 (Y): CA 63.361 63.361 59.956 3.405 RESID 249 (Y): CB 38.068 38.068 38.224 -0.156 RESID 249 (Y): H 8.686 8.686 8.153 0.533 RESID 250 (A): N 124.956 124.956 121.879 3.077 RESID 250 (A): HA 4.161 4.161 4.409 -0.248 RESID 250 (A): C 179.621 179.621 177.862 1.759 RESID 250 (A): CA 55.220 55.220 53.538 1.682 RESID 250 (A): CB 17.500 17.500 18.432 -0.932 RESID 250 (A): H 8.448 8.448 7.995 0.453 RESID 251 (A): N 119.409 119.409 120.676 -1.267 RESID 251 (A): HA 4.163 4.163 4.457 -0.294 RESID 251 (A): C 178.588 178.588 179.260 -0.672 RESID 251 (A): CA 55.206 55.206 53.720 1.486 RESID 251 (A): CB 17.804 17.804 19.959 -2.155 RESID 251 (A): H 7.649 7.649 8.026 -0.377 RESID 252 (T): N 106.194 106.194 111.933 -5.739 RESID 252 (T): HA 4.392 4.392 4.140 0.252 RESID 252 (T): C 176.679 176.679 174.558 2.121 RESID 252 (T): CA 62.376 62.376 62.706 -0.330 RESID 252 (T): CB 70.838 70.838 67.588 3.249 RESID 252 (T): H 7.806 7.806 8.202 -0.396 RESID 253 (V): N 121.805 121.805 120.797 1.008 RESID 253 (V): HA 3.754 3.754 3.984 -0.230 RESID 253 (V): C 176.213 176.213 176.843 -0.630 RESID 253 (V): CA 65.339 65.339 63.884 1.455 RESID 253 (V): CB 31.971 31.971 32.300 -0.329 RESID 253 (V): H 7.173 7.173 8.105 -0.932 RESID 254 (A): N 122.834 122.834 120.903 1.931 RESID 254 (A): HA 4.457 4.457 4.533 -0.076 RESID 254 (A): C 177.007 177.007 177.423 -0.416 RESID 254 (A): CA 51.859 51.859 51.752 0.107 RESID 254 (A): CB 18.494 18.494 20.370 -1.876 RESID 254 (A): H 8.542 8.542 7.712 0.830 RESID 255 (T): N 114.241 114.241 116.899 -2.658 RESID 255 (T): HA 4.222 4.222 3.897 0.325 RESID 255 (T): C 173.687 173.687 173.889 -0.202 RESID 255 (T): CA 62.138 62.138 62.972 -0.834 RESID 255 (T): CB 70.584 70.584 69.434 1.150 RESID 255 (T): H 7.469 7.469 7.785 -0.316 RESID 256 (A): N 128.290 128.290 127.023 1.267 RESID 256 (A): HA 4.515 4.515 4.113 0.402 RESID 256 (A): C 176.782 176.782 176.067 0.715 RESID 256 (A): CA 51.165 51.165 50.923 0.242 RESID 256 (A): CB 17.596 17.596 18.676 -1.080 RESID 256 (A): H 8.625 8.625 8.315 0.310 RESID 257 (P): HA 4.089 4.089 4.133 -0.044 RESID 257 (P): C 178.670 178.670 175.964 2.706 RESID 257 (P): CA 66.250 66.250 64.185 2.065 RESID 257 (P): CB 32.400 32.400 30.444 1.956 RESID 258 (E): N 115.538 115.538 122.466 -6.928 RESID 258 (E): HA 4.205 4.205 4.365 -0.160 RESID 258 (E): C 177.484 177.484 176.179 1.305 RESID 258 (E): CA 59.489 59.489 57.018 2.471 RESID 258 (E): CB 28.896 28.896 31.595 -2.699 RESID 258 (E): H 9.711 9.711 8.704 1.007 RESID 259 (V): N 113.043 113.043 114.822 -1.779 RESID 259 (V): HA 4.641 4.641 4.600 0.041 RESID 259 (V): C 175.536 175.536 176.108 -0.572 RESID 259 (V): CA 61.065 61.065 60.673 0.392 RESID 259 (V): CB 32.652 32.652 31.722 0.930 RESID 259 (V): H 7.765 7.765 7.546 0.219 RESID 260 (K): N 121.849 121.849 124.039 -2.190 RESID 260 (K): HA 3.769 3.769 3.829 -0.060 RESID 260 (K): C 177.750 177.750 177.762 -0.012 RESID 260 (K): CA 61.507 61.507 59.669 1.838 RESID 260 (K): CB 34.189 34.189 31.894 2.295 RESID 260 (K): H 7.415 7.415 8.427 -1.012 RESID 261 (Y): N 117.222 117.222 115.858 1.364 RESID 261 (Y): HA 3.803 3.803 4.419 -0.616 RESID 261 (Y): C 176.020 176.020 178.278 -2.258 RESID 261 (Y): CA 62.761 62.761 59.937 2.825 RESID 261 (Y): CB 36.982 36.982 37.676 -0.694 RESID 261 (Y): H 8.942 8.942 7.622 1.320 RESID 262 (T): N 115.869 115.869 117.702 -1.833 RESID 262 (T): HA 4.136 4.136 3.988 0.148 RESID 262 (T): C 177.136 177.136 176.770 0.366 RESID 262 (T): CA 68.855 68.855 66.777 2.078 RESID 262 (T): CB 66.818 66.818 68.380 -1.562 RESID 262 (T): H 7.822 7.822 8.123 -0.301 RESID 263 (V): N 123.471 123.471 121.170 2.301 RESID 263 (V): HA 3.507 3.507 3.631 -0.124 RESID 263 (V): C 178.020 178.020 177.565 0.455 RESID 263 (V): CA 67.000 67.000 67.062 -0.062 RESID 263 (V): CB 31.699 31.699 31.496 0.203 RESID 263 (V): H 8.051 8.051 8.634 -0.583 RESID 264 (F): N 123.178 123.178 120.278 2.900 RESID 264 (F): HA 3.812 3.812 4.019 -0.207 RESID 264 (F): C 175.217 175.217 177.322 -2.105 RESID 264 (F): CA 60.720 60.720 61.441 -0.721 RESID 264 (F): CB 39.637 39.637 38.989 0.648 RESID 264 (F): H 8.047 8.047 7.492 0.555 RESID 265 (E): N 120.524 120.524 118.724 1.800 RESID 265 (E): HA 2.959 2.959 4.155 -1.196 RESID 265 (E): C 178.300 178.300 178.930 -0.630 RESID 265 (E): CA 59.854 59.854 59.226 0.628 RESID 265 (E): CB 30.318 30.318 29.928 0.390 RESID 265 (E): H 8.830 8.830 8.485 0.345 RESID 266 (T): N 114.371 114.371 116.841 -2.470 RESID 266 (T): HA 3.694 3.694 4.007 -0.313 RESID 266 (T): C 176.020 176.020 176.213 -0.193 RESID 266 (T): CA 66.645 66.645 66.431 0.214 RESID 266 (T): CB 68.704 68.704 68.500 0.204 RESID 266 (T): H 7.978 7.978 8.594 -0.616 RESID 267 (A): N 124.070 124.070 123.958 0.112 RESID 267 (A): HA 3.899 3.899 4.073 -0.174 RESID 267 (A): C 180.615 180.615 179.275 1.340 RESID 267 (A): CA 54.950 54.950 55.113 -0.163 RESID 267 (A): CB 17.668 17.668 18.023 -0.356 RESID 267 (A): H 7.908 7.908 8.643 -0.735 RESID 268 (L): N 121.494 121.494 118.497 2.997 RESID 268 (L): HA 3.716 3.716 3.790 -0.074 RESID 268 (L): C 177.403 177.403 179.060 -1.657 RESID 268 (L): CA 57.095 57.095 57.809 -0.714 RESID 268 (L): CB 35.715 35.715 40.730 -5.015 RESID 268 (L): H 8.499 8.499 7.399 1.100 RESID 269 (K): N 118.900 118.900 119.183 -0.283 RESID 269 (K): HA 2.946 2.946 3.721 -0.775 RESID 269 (K): C 179.440 179.440 179.224 0.216 RESID 269 (K): CA 59.500 59.500 59.988 -0.488 RESID 269 (K): CB 31.880 31.880 32.004 -0.124 RESID 269 (K): H 7.678 7.678 7.471 0.207 RESID 270 (K): N 118.900 118.900 119.778 -0.878 RESID 270 (K): HA 3.814 3.814 4.083 -0.269 RESID 270 (K): C 178.960 178.960 179.027 -0.067 RESID 270 (K): CA 59.770 59.770 58.965 0.805 RESID 270 (K): CB 32.330 32.330 31.970 0.361 RESID 270 (K): H 7.678 7.678 7.786 -0.108 RESID 271 (A): N 122.628 122.628 122.348 0.280 RESID 271 (A): HA 4.078 4.078 4.068 0.010 RESID 271 (A): C 180.707 180.707 179.819 0.888 RESID 271 (A): CA 54.835 54.835 55.064 -0.229 RESID 271 (A): CB 18.694 18.694 18.158 0.536 RESID 271 (A): H 7.699 7.699 7.872 -0.173 RESID 272 (I): N 120.190 120.190 118.192 1.998 RESID 272 (I): HA 3.616 3.616 3.648 -0.032 RESID 272 (I): C 178.458 178.458 178.072 0.386 RESID 272 (I): CA 65.296 65.296 64.976 0.320 RESID 272 (I): CB 37.724 37.724 37.992 -0.268 RESID 272 (I): H 8.519 8.519 8.163 0.356 RESID 273 (T): N 118.748 118.748 113.380 5.368 RESID 273 (T): HA 4.227 4.227 3.942 0.285 RESID 273 (T): C 176.122 176.122 176.451 -0.329 RESID 273 (T): CA 68.686 68.686 66.208 2.478 RESID 273 (T): CB 67.031 67.031 68.531 -1.500 RESID 273 (T): H 8.329 8.329 8.037 0.292 RESID 274 (A): N 122.829 122.829 124.989 -2.160 RESID 274 (A): HA 4.120 4.120 4.001 0.119 RESID 274 (A): C 180.580 180.580 179.430 1.150 RESID 274 (A): CA 55.013 55.013 54.962 0.052 RESID 274 (A): CB 17.770 17.770 18.320 -0.550 RESID 274 (A): H 7.841 7.841 8.111 -0.270 RESID 275 (M): N 118.352 118.352 114.450 3.902 RESID 275 (M): HA 4.082 4.082 4.119 -0.037 RESID 275 (M): C 178.226 178.226 176.809 1.417 RESID 275 (M): CA 59.240 59.240 58.123 1.117 RESID 275 (M): CB 33.624 33.624 32.886 0.737 RESID 275 (M): H 7.886 7.886 7.871 0.015 RESID 276 (S): N 115.242 115.242 113.941 1.301 RESID 276 (S): HA 4.100 4.100 4.309 -0.209 RESID 276 (S): C 176.687 176.687 176.907 -0.220 RESID 276 (S): CA 60.920 60.920 60.569 0.351 RESID 276 (S): CB 62.763 62.763 63.737 -0.974 RESID 276 (S): H 8.154 8.154 7.273 0.881 RESID 277 (E): N 120.950 120.950 122.898 -1.948 RESID 277 (E): HA 3.990 3.990 4.106 -0.116 RESID 277 (E): C 178.562 178.562 178.341 0.221 RESID 277 (E): CA 58.426 58.426 59.055 -0.629 RESID 277 (E): CB 29.510 29.510 29.624 -0.114 RESID 277 (E): H 8.336 8.336 8.464 -0.128 RESID 278 (A): N 121.655 121.655 121.627 0.028 RESID 278 (A): HA 4.137 4.137 4.043 0.094 RESID 278 (A): C 179.412 179.412 178.582 0.830 RESID 278 (A): CA 54.163 54.163 54.598 -0.435 RESID 278 (A): CB 18.234 18.234 18.264 -0.030 RESID 278 (A): H 7.943 7.943 8.311 -0.368 RESID 279 (Q): N 116.951 116.951 117.095 -0.144 RESID 279 (Q): HA 4.138 4.138 3.968 0.170 RESID 279 (Q): C 177.164 177.164 178.402 -1.238 RESID 279 (Q): CA 56.987 56.987 58.507 -1.520 RESID 279 (Q): CB 28.602 28.602 28.653 -0.051 RESID 279 (Q): H 7.791 7.791 7.501 0.290 RESID 280 (K): N 119.993 119.993 116.015 3.978 RESID 280 (K): HA 4.089 4.089 4.088 0.001 RESID 280 (K): C 176.909 176.909 176.411 0.498 RESID 280 (K): CA 57.700 57.700 57.693 0.007 RESID 280 (K): CB 32.860 32.860 32.824 0.036 RESID 280 (K): H 7.863 7.863 8.171 -0.308 RESID 281 (A): N 122.367 122.367 120.956 1.411 RESID 281 (A): HA 4.206 4.206 4.534 -0.328 RESID 281 (A): C 177.375 177.375 175.598 1.777 RESID 281 (A): CA 52.474 52.474 51.616 0.858 RESID 281 (A): CB 19.140 19.140 20.902 -1.762 RESID 281 (A): H 7.841 7.841 7.256 0.585 RESID 282 (A): N 122.465 122.465 123.825 -1.360 RESID 282 (A): HA 4.211 4.211 4.259 -0.048 RESID 282 (A): C 177.333 177.333 177.359 -0.026 RESID 282 (A): CA 52.413 52.413 53.526 -1.113 RESID 282 (A): CB 19.016 19.016 19.256 -0.239 RESID 282 (A): H 7.891 7.891 8.483 -0.592 RESID 283 (K): N 121.934 121.934 119.689 2.245 RESID 283 (K): HA 4.560 4.560 4.608 -0.048 RESID 283 (K): C 181.141 181.141 174.116 7.025 RESID 283 (K): CA 54.069 54.069 53.667 0.402 RESID 283 (K): CB 32.644 32.644 33.351 -0.707 RESID 283 (K): H 8.140 8.140 7.981 0.159 RESID 284 (P): HA 4.331 4.331 4.554 -0.223 RESID 284 (P): C 172.250 172.250 176.987 -4.737 RESID 284 (P): CA 63.500 63.500 62.801 0.699 RESID 284 (P): CB 32.160 32.160 32.409 -0.249 N HA C CA CB H RESID 57 (G): 5.525 ----- -0.940 0.060 ----- 0.032 RESID 58 (K): -0.546 -0.117 0.269 0.703 -0.239 0.115 RESID 59 (A): 0.826 -0.314 1.284 1.015 1.274 0.165 RESID 60 (T): 1.823 -0.385 1.453 1.323 -0.911 0.661 RESID 61 (T): 3.245 -0.368 1.073 2.447 -1.028 0.058 RESID 62 (E): -1.490 -0.033 1.503 -0.527 -0.551 -0.068 RESID 63 (E): 2.533 -0.220 -1.268 2.208 0.520 0.219 RESID 64 (Q): -1.237 -0.335 1.747 0.666 -0.458 0.432 RESID 65 (K): 0.311 -0.239 0.277 1.214 -0.350 0.573 RESID 66 (L): -0.485 0.009 0.813 0.378 -0.870 -0.898 RESID 67 (I): 1.810 0.094 0.983 -0.483 -1.322 0.461 RESID 68 (E): 4.544 -0.133 3.647 2.086 -0.308 0.581 RESID 69 (K): 0.975 -0.107 1.743 1.859 0.270 0.272 RESID 70 (I): 3.075 0.092 2.606 0.145 -1.697 0.358 RESID 71 (N): 2.565 0.343 1.403 -0.336 0.684 1.287 RESID 72 (A): 0.990 0.126 1.539 0.322 -0.450 0.550 RESID 73 (G): 3.120 ----- -1.338 0.238 ----- 0.527 RESID 74 (F): 3.479 -0.008 -0.674 2.470 1.253 0.927 RESID 75 (K): -1.768 0.022 0.644 0.101 0.315 -0.771 RESID 76 (A): 1.587 0.029 1.205 -0.383 -0.446 0.372 RESID 77 (A): 3.996 -0.450 -0.740 0.956 -0.293 1.148 RESID 78 (L): 1.340 -0.062 0.579 -0.248 1.183 -0.072 RESID 79 (A): 0.014 -0.014 1.046 -0.335 -0.378 -0.865 RESID 80 (A): 1.868 -0.126 2.499 0.721 0.315 0.710 RESID 81 (A): -1.176 -0.133 1.261 -0.241 -0.707 0.853 RESID 82 (A): -0.197 -0.511 1.766 3.228 -2.627 0.505 RESID 83 (G): 17.238 ----- -0.564 -0.484 ----- -1.263 RESID 84 (V): -0.761 0.474 -0.183 -2.336 2.448 -0.816 RESID 85 (Q): 0.907 0.238 ----- -2.055 -0.816 0.568 RESID 86 (P): ----- 0.120 ----- -1.361 0.244 ----- RESID 87 (A): -8.015 0.192 0.083 1.548 0.077 0.337 RESID 88 (D): 1.238 0.750 0.348 -2.258 3.804 -0.689 RESID 89 (K): 5.154 -0.661 -0.994 3.176 0.207 -0.236 RESID 90 (Y): -1.146 -0.174 -1.980 1.964 -0.980 1.257 RESID 91 (R): -0.757 -0.193 0.714 -0.624 -0.865 0.331 RESID 92 (T): 0.349 -0.119 0.070 0.059 0.471 -0.518 RESID 93 (F): 4.218 -0.428 -0.359 1.129 0.663 1.224 RESID 94 (V): -0.762 -0.645 1.784 1.927 0.293 1.314 RESID 95 (A): 0.378 -0.167 0.936 0.216 -0.731 -0.477 RESID 96 (T): -0.133 0.035 0.688 3.104 -2.304 -0.759 RESID 97 (F): 1.176 -0.316 0.396 0.944 0.716 1.481 RESID 98 (G): 1.567 ----- 0.664 0.059 ----- 0.656 RESID 99 (A): -1.019 0.204 1.613 0.757 -0.512 0.083 RESID 100 (A): -0.015 0.345 1.768 -0.482 -0.309 1.379 RESID 101 (S): 3.027 0.211 0.434 7.453 4.745 0.280 RESID 102 (N): ----- 0.036 ----- -0.147 -0.745 ----- RESID 103 (K): -0.197 0.058 -0.655 -0.112 0.140 -0.102 RESID 104 (A): -0.391 -0.172 -0.506 -0.231 0.047 0.195 RESID 105 (F): -2.526 0.053 -0.366 0.188 0.132 -0.401 RESID 106 (A): 2.312 0.049 ----- -0.499 0.330 -0.381 RESID 107 (E): 1.960 -0.235 0.471 1.207 0.336 0.267 RESID 108 (G): 1.109 ----- 0.170 1.080 ----- 0.512 RESID 109 (L): 0.634 0.436 -0.456 -0.244 -0.310 0.614 RESID 110 (S): -2.233 0.205 -0.984 -1.433 0.225 -0.349 RESID 111 (G): 0.322 ----- 0.429 -0.212 ----- 0.258 RESID 112 (E): -0.722 -0.062 ----- 0.064 -0.767 -0.707 RESID 113 (P): ----- -0.205 ----- 0.769 -0.547 ----- RESID 114 (K): -2.226 0.129 0.091 -1.909 0.149 -0.107 RESID 115 (G): 4.864 ----- 0.763 0.462 ----- 0.303 RESID 116 (A): 2.055 -0.272 1.679 1.697 -1.808 0.734 RESID 117 (A): -0.628 0.181 0.703 0.483 0.139 0.036 RESID 118 (E): 5.912 0.336 0.755 -1.227 1.380 -0.543 RESID 119 (S): 3.755 -0.115 -0.240 -1.516 -0.274 0.093 RESID 120 (S): 2.571 -0.368 0.121 -0.185 -0.434 0.195 RESID 121 (S): 0.663 -0.143 0.487 -0.234 -0.487 0.099 RESID 122 (K): 3.192 0.066 ----- 0.258 0.265 -0.079 RESID 123 (A): 2.262 0.012 ----- -0.643 0.124 0.226 RESID 124 (A): -0.361 -0.007 ----- -0.165 -0.111 0.443 RESID 125 (L): 1.427 0.002 -0.115 0.111 -0.468 0.521 RESID 126 (T): 0.587 -0.162 -0.107 1.672 -1.952 0.507 RESID 127 (S): -1.211 0.086 0.828 0.070 -0.121 -0.804 RESID 128 (K): -0.075 -0.020 1.216 0.940 0.353 0.047 RESID 129 (L): 1.933 -0.677 -3.010 0.171 -0.099 0.416 RESID 130 (D): -2.948 -0.514 0.184 0.433 0.909 -0.401 RESID 131 (A): -3.355 -0.197 0.790 -0.155 -0.621 -0.752 RESID 132 (A): 2.457 -0.054 0.182 -0.172 -0.054 -0.325 RESID 133 (Y): -1.033 -0.018 2.604 -4.329 -2.793 0.983 RESID 134 (K): 1.359 0.056 -0.221 1.265 0.333 0.222 RESID 135 (L): 1.505 0.111 2.048 0.154 0.330 -0.245 RESID 136 (A): 3.096 -0.356 -1.267 1.227 -0.836 0.096 RESID 137 (Y): -1.509 1.461 -0.518 2.021 0.761 0.284 RESID 138 (K): -0.505 0.195 1.083 -0.207 -0.072 0.386 RESID 139 (T): 4.890 0.083 0.711 3.696 -1.657 0.567 RESID 140 (A): -0.286 -0.137 0.901 0.341 1.710 0.846 RESID 141 (E): 0.376 -0.295 -0.478 0.363 -0.013 0.927 RESID 142 (G): -2.944 ----- -1.060 -0.678 ----- -0.000 RESID 143 (A): 1.209 0.184 0.614 -1.331 0.519 -0.342 RESID 144 (T): -5.334 0.131 0.760 0.390 -1.825 -0.090 RESID 145 (P): ----- -0.372 3.016 3.255 0.205 ----- RESID 146 (E): -1.024 0.173 1.080 1.772 -0.757 0.507 RESID 147 (A): 4.919 0.073 0.204 -0.767 0.367 0.431 RESID 148 (K): -0.455 -0.512 -0.243 2.125 1.122 -0.521 RESID 149 (Y): -2.112 -0.205 -1.717 0.079 -0.571 0.477 RESID 150 (D): -1.161 -0.366 0.929 -0.313 0.661 0.163 RESID 152 (Y): ----- -0.338 -0.705 3.024 1.132 ----- RESID 153 (V): -1.581 0.006 0.732 1.025 1.014 0.260 RESID 154 (A): 0.567 0.010 -2.541 -0.124 -0.014 0.069 RESID 155 (T): -2.431 -0.121 0.302 -0.071 -0.208 -0.189 RESID 156 (L): 2.620 -0.255 ----- 0.563 0.452 0.860 RESID 157 (S): -1.578 -0.264 0.938 0.849 -1.316 0.759 RESID 158 (E): -2.293 0.035 -0.858 -0.428 -0.264 -0.389 RESID 159 (A): -1.459 -0.006 1.019 -0.047 0.161 -0.040 RESID 160 (L): -1.967 -0.093 0.212 0.442 -0.656 0.830 RESID 161 (R): 1.756 -0.089 0.959 0.091 -0.239 -0.242 RESID 162 (I): 0.828 -0.132 2.451 0.316 -0.503 -0.085 RESID 163 (I): ----- -0.063 ----- 0.852 0.549 ----- RESID 164 (A): 0.418 -0.081 0.671 0.133 -0.027 0.646 RESID 165 (G): 1.508 ----- 0.878 0.763 ----- 0.136 RESID 166 (T): -3.792 -0.069 0.215 -0.333 0.315 0.476 RESID 167 (L): 0.802 -0.259 0.155 -0.182 -0.347 -0.114 RESID 168 (E): 2.304 -0.117 0.529 0.020 0.134 0.221 RESID 169 (V): 1.480 -0.118 1.072 -4.731 ----- 0.720 RESID 170 (H): -3.726 0.137 -0.752 -1.651 -0.624 0.333 RESID 171 (A): -1.180 -0.181 0.875 -0.589 -1.281 -0.145 RESID 172 (V): 1.989 -0.229 -0.628 -1.192 0.108 0.191 RESID 173 (K): 5.948 ----- -0.829 -0.309 -0.124 0.500 RESID 174 (P): ----- 0.051 ----- -1.062 0.792 ----- RESID 175 (A): 7.100 0.105 0.329 0.024 0.313 0.741 RESID 176 (A): 2.829 0.261 1.039 -0.100 1.375 0.764 RESID 177 (E): -0.737 -0.006 -0.079 -0.312 0.178 0.128 RESID 178 (E): -2.501 0.009 0.377 -0.937 1.848 -0.230 RESID 179 (V): 1.785 -0.395 1.399 1.852 -2.249 0.484 RESID 180 (K): 3.524 -0.016 -1.094 -0.468 0.307 0.245 RESID 181 (V): -1.784 -0.027 0.557 -0.685 2.234 -0.291 RESID 182 (I): 3.468 ----- -0.083 -0.521 0.560 0.826 RESID 183 (P): ----- 0.021 0.489 -0.446 0.169 ----- RESID 184 (A): 5.718 -0.173 3.352 1.853 -2.265 1.096 RESID 185 (G): 0.867 ----- 0.651 0.880 ----- 0.430 RESID 186 (E): -1.343 0.336 0.269 -0.986 1.697 -0.633 RESID 187 (L): 1.451 -0.082 -0.971 -1.285 0.989 0.028 RESID 188 (Q): 1.306 0.111 -0.501 -0.882 0.622 -0.300 RESID 189 (V): -2.385 -0.204 0.525 1.537 0.695 0.230 RESID 190 (I): 0.165 -0.076 0.548 -0.306 -1.081 0.337 RESID 191 (E): 0.273 0.193 0.653 0.118 0.064 0.096 RESID 192 (K): -1.248 0.157 0.097 -1.308 -0.572 0.062 RESID 193 (V): 2.159 -0.135 -1.527 0.232 -0.135 0.819 RESID 194 (D): 2.169 -0.008 -0.428 0.595 1.484 0.667 RESID 195 (A): -2.067 -0.110 0.730 0.448 -0.490 0.332 RESID 196 (A): 0.298 -0.028 -0.708 0.098 1.102 -0.292 RESID 197 (F): 1.761 -0.500 -1.073 0.384 -0.455 1.288 RESID 198 (K): -1.590 -0.223 1.575 -0.167 0.114 -0.517 RESID 199 (V): 1.829 -0.204 1.777 1.439 0.126 -0.238 RESID 200 (A): 4.355 -0.541 0.491 1.150 0.475 0.803 RESID 201 (A): -1.128 -0.109 1.419 -0.247 -1.238 -0.481 RESID 202 (T): 0.190 0.150 -0.383 -4.892 -6.591 0.335 RESID 203 (A): 0.810 -0.091 1.986 0.275 -0.297 -0.212 RESID 204 (A): 1.625 0.172 0.525 1.559 -0.138 1.038 RESID 205 (N): -3.638 -0.117 -1.040 1.113 0.856 -0.013 RESID 206 (A): -1.962 0.112 0.053 3.240 -0.717 -0.888 RESID 207 (A): 2.420 -0.045 0.245 1.083 -1.702 -0.174 RESID 208 (P): ----- 0.150 0.580 -0.519 -0.244 ----- RESID 209 (A): 1.241 0.006 0.636 1.681 -0.093 0.099 RESID 210 (N): -2.639 0.054 0.834 -0.225 0.426 0.119 RESID 211 (D): 4.149 0.306 0.556 1.141 3.803 -0.111 RESID 212 (K): -0.303 -1.077 0.504 5.103 -0.950 -0.887 RESID 213 (F): -5.113 -0.090 0.406 0.397 -0.289 0.001 RESID 214 (T): 0.516 ----- 1.391 -1.473 0.327 -0.509 RESID 215 (V): 2.438 -0.008 0.318 0.271 -0.334 0.935 RESID 216 (F): -2.164 -0.221 -0.244 0.821 0.418 1.013 RESID 217 (E): -1.357 -0.126 -1.117 2.664 0.706 -0.437 RESID 218 (A): -3.237 -0.039 0.994 0.360 -0.421 0.067 RESID 219 (A): -2.016 0.155 1.039 0.116 0.263 0.216 RESID 220 (F): 1.888 0.423 0.400 -2.670 1.563 0.440 RESID 221 (N): 0.818 -0.006 ----- 0.764 -0.382 0.802 RESID 222 (D): -1.169 -0.170 1.007 0.701 -0.535 0.319 RESID 223 (A): 0.592 0.138 ----- 0.122 0.120 -0.202 RESID 224 (I): 6.126 -0.177 0.536 1.086 0.183 1.219 RESID 225 (K): 3.590 0.017 0.544 -0.378 0.279 1.117 RESID 226 (A): -1.843 0.131 1.999 -0.097 0.355 -0.406 RESID 227 (S): 0.720 0.067 0.393 0.581 -0.025 0.467 RESID 228 (T): -6.239 0.077 ----- 1.159 1.454 0.178 RESID 229 (G): 2.751 ----- 3.191 0.989 ----- 0.327 RESID 230 (G): -2.479 ----- 0.783 0.039 ----- 0.587 RESID 231 (A): -1.629 -0.331 1.258 2.347 -0.567 0.032 RESID 232 (Y): -4.881 -0.429 0.622 -0.285 -0.898 -0.034 RESID 233 (E): -0.326 -0.692 -1.509 1.008 -0.312 -0.793 RESID 234 (S): -5.208 -0.144 2.618 -1.717 0.835 -0.304 RESID 235 (Y): -3.106 -0.738 0.728 1.147 0.074 -0.084 RESID 236 (K): -4.486 -0.672 0.642 1.728 -1.043 -0.671 RESID 237 (F): -2.963 0.421 -0.488 -1.494 1.820 -0.517 RESID 238 (I): 0.915 0.197 ----- 0.821 -0.750 0.806 RESID 239 (P): ----- 0.058 2.396 2.801 0.201 ----- RESID 240 (A): -0.868 0.161 ----- 1.252 0.716 0.628 RESID 241 (L): -1.712 0.221 -1.662 -1.805 0.763 -0.082 RESID 242 (E): 2.086 -0.283 -0.202 0.972 -0.469 -0.026 RESID 243 (A): -2.753 -0.377 0.613 0.789 -0.702 0.162 RESID 244 (A): -0.528 0.029 0.129 0.120 ----- -1.293 RESID 245 (V): 2.675 -0.294 -0.049 0.862 0.645 1.027 RESID 246 (K): -0.466 0.223 1.598 1.394 -0.347 0.592 RESID 247 (Q): 2.066 -0.031 -0.017 0.072 -0.624 0.637 RESID 248 (A): 2.634 -0.175 -0.168 0.081 0.395 0.610 RESID 249 (Y): -0.050 -0.417 2.786 3.405 -0.156 0.533 RESID 250 (A): 3.077 -0.248 1.759 1.682 -0.932 0.453 RESID 251 (A): -1.267 -0.294 -0.672 1.486 -2.155 -0.377 RESID 252 (T): -5.739 0.252 2.121 -0.330 3.249 -0.396 RESID 253 (V): 1.008 -0.230 -0.630 1.455 -0.329 -0.932 RESID 254 (A): 1.931 -0.076 -0.416 0.107 -1.876 0.830 RESID 255 (T): -2.658 0.325 -0.202 -0.834 1.150 -0.316 RESID 256 (A): 1.267 0.402 0.715 0.242 -1.080 0.310 RESID 257 (P): ----- -0.044 2.706 2.065 1.956 ----- RESID 258 (E): -6.928 -0.160 1.305 2.471 -2.699 1.007 RESID 259 (V): -1.779 0.041 -0.572 0.392 0.930 0.219 RESID 260 (K): -2.190 -0.060 -0.012 1.838 2.295 -1.012 RESID 261 (Y): 1.364 -0.616 -2.258 2.825 -0.694 1.320 RESID 262 (T): -1.833 0.148 0.366 2.078 -1.562 -0.301 RESID 263 (V): 2.301 -0.124 0.455 -0.062 0.203 -0.583 RESID 264 (F): 2.900 -0.207 -2.105 -0.721 0.648 0.555 RESID 265 (E): 1.800 -1.196 -0.630 0.628 0.390 0.345 RESID 266 (T): -2.470 -0.313 -0.193 0.214 0.204 -0.616 RESID 267 (A): 0.112 -0.174 1.340 -0.163 -0.356 -0.735 RESID 268 (L): 2.997 -0.074 -1.657 -0.714 -5.015 1.100 RESID 269 (K): -0.283 -0.775 0.216 -0.488 -0.124 0.207 RESID 270 (K): -0.878 -0.269 -0.067 0.805 0.361 -0.108 RESID 271 (A): 0.280 0.010 0.888 -0.229 0.536 -0.173 RESID 272 (I): 1.998 -0.032 0.386 0.320 -0.268 0.356 RESID 273 (T): 5.368 0.285 -0.329 2.478 -1.500 0.292 RESID 274 (A): -2.160 0.119 1.150 0.052 -0.550 -0.270 RESID 275 (M): 3.902 -0.037 1.417 1.117 0.737 0.015 RESID 276 (S): 1.301 -0.209 -0.220 0.351 -0.974 0.881 RESID 277 (E): -1.948 -0.116 0.221 -0.629 -0.114 -0.128 RESID 278 (A): 0.028 0.094 0.830 -0.435 -0.030 -0.368 RESID 279 (Q): -0.144 0.170 -1.238 -1.520 -0.051 0.290 RESID 280 (K): 3.978 0.001 0.498 0.007 0.036 -0.308 RESID 281 (A): 1.411 -0.328 1.777 0.858 -1.762 0.585 RESID 282 (A): -1.360 -0.048 -0.026 -1.113 -0.239 -0.592 RESID 283 (K): 2.245 -0.048 7.025 0.402 -0.707 0.159 RESID 284 (P): ----- -0.223 -4.737 0.699 -0.249 ----- DATA CS_STAT_INFO N RMS: 2.841 ppm Count: 216 Average Difference: -0.449 +/- 2.811 ppm DATA CS_STAT_INFO HA RMS: 0.289 ppm Count: 233 Average Difference: 0.061 +/- 0.283 ppm DATA CS_STAT_INFO C RMS: 1.302 ppm Count: 211 Average Difference: -0.424 +/- 1.234 ppm DATA CS_STAT_INFO CA RMS: 1.455 ppm Count: 228 Average Difference: -0.377 +/- 1.408 ppm DATA CS_STAT_INFO CB RMS: 1.209 ppm Count: 214 Average Difference: 0.056 +/- 1.211 ppm DATA CS_STAT_INFO HN RMS: 0.584 ppm Count: 216 Average Difference: -0.172 +/- 0.559 ppm ############################################################################ For conformer 8: Atom Original Corrected SPARTA Difference RESID 56 (A): N 123.960 123.960 124.404 -0.444 RESID 56 (A): HA 4.219 4.219 4.484 -0.265 RESID 56 (A): C 177.886 177.886 177.946 -0.060 RESID 56 (A): CA 52.782 52.782 51.822 0.960 RESID 56 (A): CB 19.246 19.246 20.467 -1.221 RESID 56 (A): H 8.814 8.814 8.223 0.591 RESID 57 (G): N 108.854 108.854 107.727 1.127 RESID 57 (G): C 173.751 173.751 174.956 -1.205 RESID 57 (G): CA 45.130 45.130 45.511 -0.381 RESID 57 (G): H 8.524 8.524 8.414 0.110 RESID 58 (K): N 120.911 120.911 121.396 -0.485 RESID 58 (K): HA 4.301 4.301 4.405 -0.104 RESID 58 (K): C 176.244 176.244 176.355 -0.111 RESID 58 (K): CA 55.941 55.941 55.383 0.558 RESID 58 (K): CB 33.552 33.552 33.230 0.322 RESID 58 (K): H 8.206 8.206 7.758 0.448 RESID 59 (A): N 126.086 126.086 127.889 -1.803 RESID 59 (A): HA 4.354 4.354 4.165 0.189 RESID 59 (A): C 177.815 177.815 177.762 0.053 RESID 59 (A): CA 52.346 52.346 53.839 -1.493 RESID 59 (A): CB 19.479 19.479 18.739 0.740 RESID 59 (A): H 8.518 8.518 8.595 -0.077 RESID 60 (T): N 114.453 114.453 110.363 4.090 RESID 60 (T): HA 4.434 4.434 4.434 0.000 RESID 60 (T): C 175.282 175.282 173.853 1.429 RESID 60 (T): CA 61.740 61.740 61.168 0.572 RESID 60 (T): CB 70.210 70.210 70.160 0.050 RESID 60 (T): H 8.402 8.402 7.514 0.888 RESID 61 (T): N 115.217 115.217 112.788 2.429 RESID 61 (T): HA 4.360 4.360 4.579 -0.219 RESID 61 (T): C 175.851 175.851 175.330 0.521 RESID 61 (T): CA 61.847 61.847 59.808 2.039 RESID 61 (T): CB 70.682 70.682 71.343 -0.661 RESID 61 (T): H 8.429 8.429 8.050 0.379 RESID 62 (E): N 120.843 120.843 120.792 0.051 RESID 62 (E): HA 3.923 3.923 4.016 -0.093 RESID 62 (E): C 179.517 179.517 178.600 0.917 RESID 62 (E): CA 59.568 59.568 59.639 -0.071 RESID 62 (E): CB 29.223 29.223 29.514 -0.291 RESID 62 (E): H 9.049 9.049 8.876 0.173 RESID 63 (E): N 119.900 119.900 118.617 1.283 RESID 63 (E): HA 3.768 3.768 3.983 -0.215 RESID 63 (E): C 177.635 177.635 178.706 -1.071 RESID 63 (E): CA 60.882 60.882 59.400 1.482 RESID 63 (E): CB 29.410 29.410 29.347 0.063 RESID 63 (E): H 8.857 8.857 8.316 0.541 RESID 64 (Q): N 118.374 118.374 118.187 0.187 RESID 64 (Q): HA 3.821 3.821 3.947 -0.126 RESID 64 (Q): C 178.986 178.986 178.940 0.046 RESID 64 (Q): CA 58.831 58.831 58.906 -0.075 RESID 64 (Q): CB 28.480 28.480 28.429 0.051 RESID 64 (Q): H 7.923 7.923 7.790 0.133 RESID 65 (K): N 119.234 119.234 119.213 0.021 RESID 65 (K): HA 3.940 3.940 4.175 -0.235 RESID 65 (K): C 178.993 178.993 178.694 0.299 RESID 65 (K): CA 59.547 59.547 58.722 0.825 RESID 65 (K): CB 32.502 32.502 31.668 0.834 RESID 65 (K): H 8.258 8.258 7.629 0.629 RESID 66 (L): N 120.500 120.500 120.211 0.289 RESID 66 (L): HA 4.060 4.060 4.110 -0.050 RESID 66 (L): C 178.729 178.729 178.045 0.684 RESID 66 (L): CA 58.217 58.217 57.591 0.626 RESID 66 (L): CB 41.328 41.328 42.207 -0.879 RESID 66 (L): H 7.786 7.786 7.887 -0.101 RESID 67 (I): N 118.533 118.533 117.975 0.558 RESID 67 (I): HA 3.817 3.817 3.641 0.176 RESID 67 (I): C 177.644 177.644 178.406 -0.762 RESID 67 (I): CA 62.837 62.837 64.180 -1.343 RESID 67 (I): CB 36.617 36.617 36.767 -0.150 RESID 67 (I): H 8.049 8.049 7.619 0.430 RESID 68 (E): N 121.332 121.332 117.489 3.843 RESID 68 (E): HA 4.117 4.117 4.108 0.009 RESID 68 (E): C 181.037 181.037 177.948 3.089 RESID 68 (E): CA 59.800 59.800 59.078 0.722 RESID 68 (E): CB 29.330 29.330 29.102 0.228 RESID 68 (E): H 8.178 8.178 8.112 0.066 RESID 69 (K): N 120.580 120.580 119.625 0.955 RESID 69 (K): HA 4.120 4.120 4.190 -0.070 RESID 69 (K): C 180.563 180.563 178.533 2.030 RESID 69 (K): CA 59.667 59.667 58.176 1.491 RESID 69 (K): CB 33.436 33.436 32.904 0.532 RESID 69 (K): H 7.921 7.921 7.227 0.694 RESID 70 (I): N 123.857 123.857 120.994 2.863 RESID 70 (I): HA 3.761 3.761 3.743 0.018 RESID 70 (I): C 178.582 178.582 176.022 2.560 RESID 70 (I): CA 63.442 63.442 63.821 -0.379 RESID 70 (I): CB 36.146 36.146 37.919 -1.773 RESID 70 (I): H 8.533 8.533 8.562 -0.029 RESID 71 (N): N 121.132 121.132 119.477 1.655 RESID 71 (N): HA 4.596 4.596 4.266 0.330 RESID 71 (N): C 178.680 178.680 176.973 1.707 RESID 71 (N): CA 56.116 56.116 56.298 -0.182 RESID 71 (N): CB 37.991 37.991 36.688 1.303 RESID 71 (N): H 9.041 9.041 7.982 1.059 RESID 72 (A): N 123.574 123.574 123.037 0.537 RESID 72 (A): HA 4.231 4.231 4.035 0.196 RESID 72 (A): C 181.206 181.206 179.520 1.686 RESID 72 (A): CA 55.491 55.491 55.245 0.247 RESID 72 (A): CB 17.697 17.697 18.140 -0.443 RESID 72 (A): H 8.361 8.361 7.660 0.701 RESID 73 (G): N 109.949 109.949 107.331 2.618 RESID 73 (G): C 175.146 175.146 176.748 -1.602 RESID 73 (G): CA 47.137 47.137 47.057 0.080 RESID 73 (G): H 8.429 8.429 8.352 0.077 RESID 74 (F): N 124.896 124.896 121.498 3.398 RESID 74 (F): HA 4.079 4.079 4.319 -0.240 RESID 74 (F): C 177.084 177.084 177.587 -0.503 RESID 74 (F): CA 62.295 62.295 59.471 2.824 RESID 74 (F): CB 39.696 39.696 38.590 1.106 RESID 74 (F): H 9.000 9.000 8.541 0.459 RESID 75 (K): N 118.457 118.457 120.900 -2.443 RESID 75 (K): HA 4.009 4.009 3.926 0.083 RESID 75 (K): C 179.824 179.824 178.958 0.866 RESID 75 (K): CA 60.011 60.011 59.861 0.150 RESID 75 (K): CB 32.450 32.450 32.355 0.095 RESID 75 (K): H 8.165 8.165 8.860 -0.695 RESID 76 (A): N 122.983 122.983 121.304 1.679 RESID 76 (A): HA 4.127 4.127 4.094 0.033 RESID 76 (A): C 180.654 180.654 178.976 1.678 RESID 76 (A): CA 54.723 54.723 54.949 -0.226 RESID 76 (A): CB 17.580 17.580 18.015 -0.435 RESID 76 (A): H 8.429 8.429 8.029 0.400 RESID 77 (A): N 124.931 124.931 120.357 4.574 RESID 77 (A): HA 3.765 3.765 4.165 -0.400 RESID 77 (A): C 178.922 178.922 179.525 -0.603 RESID 77 (A): CA 55.160 55.160 54.031 1.129 RESID 77 (A): CB 18.170 18.170 18.764 -0.594 RESID 77 (A): H 8.407 8.407 7.416 0.991 RESID 78 (L): N 121.008 121.008 118.832 2.176 RESID 78 (L): HA 4.180 4.180 3.544 0.636 RESID 78 (L): C 180.456 180.456 179.634 0.822 RESID 78 (L): CA 58.160 58.160 57.561 0.599 RESID 78 (L): CB 42.895 42.895 41.684 1.211 RESID 78 (L): H 8.412 8.412 8.450 -0.038 RESID 79 (A): N 121.505 121.505 121.603 -0.098 RESID 79 (A): HA 4.133 4.133 4.078 0.055 RESID 79 (A): C 180.329 180.329 178.664 1.665 RESID 79 (A): CA 54.697 54.697 54.682 0.015 RESID 79 (A): CB 17.662 17.662 18.099 -0.436 RESID 79 (A): H 7.813 7.813 8.542 -0.729 RESID 80 (A): N 121.520 121.520 119.344 2.176 RESID 80 (A): HA 4.055 4.055 4.165 -0.110 RESID 80 (A): C 181.040 181.040 178.972 2.068 RESID 80 (A): CA 54.340 54.340 53.751 0.589 RESID 80 (A): CB 18.700 18.700 18.023 0.678 RESID 80 (A): H 8.278 8.278 7.630 0.648 RESID 81 (A): N 119.451 119.451 120.599 -1.148 RESID 81 (A): HA 4.179 4.179 4.006 0.173 RESID 81 (A): C 178.308 178.308 177.581 0.727 RESID 81 (A): CA 53.950 53.950 54.407 -0.457 RESID 81 (A): CB 18.900 18.900 18.679 0.221 RESID 81 (A): H 8.428 8.428 7.316 1.112 RESID 82 (A): N 119.868 119.868 118.140 1.728 RESID 82 (A): HA 4.018 4.018 4.344 -0.326 RESID 82 (A): C 178.696 178.696 178.584 0.112 RESID 82 (A): CA 54.290 54.290 52.172 2.118 RESID 82 (A): CB 18.200 18.200 19.685 -1.485 RESID 82 (A): H 7.860 7.860 7.391 0.469 RESID 83 (G): N 128.265 128.265 108.392 19.873 RESID 83 (G): C 174.104 174.104 175.239 -1.135 RESID 83 (G): CA 44.978 44.978 46.256 -1.278 RESID 83 (G): H 7.429 7.429 7.641 -0.212 RESID 84 (V): N 111.883 111.883 118.130 -6.247 RESID 84 (V): HA 4.801 4.801 4.079 0.722 RESID 84 (V): C 175.136 175.136 175.396 -0.260 RESID 84 (V): CA 58.875 58.875 61.723 -2.848 RESID 84 (V): CB 34.417 34.417 32.766 1.651 RESID 84 (V): H 7.052 7.052 7.410 -0.358 RESID 85 (Q): N 119.223 119.223 121.146 -1.923 RESID 85 (Q): HA 4.410 4.410 4.633 -0.223 RESID 85 (Q): CA 54.350 54.350 56.762 -2.412 RESID 85 (Q): CB 26.663 26.663 27.753 -1.090 RESID 85 (Q): H 8.687 8.687 8.641 0.046 RESID 86 (P): HA 4.345 4.345 4.419 -0.074 RESID 86 (P): CA 62.130 62.130 62.631 -0.501 RESID 86 (P): CB 32.330 32.330 32.090 0.240 RESID 87 (A): N 118.968 118.968 120.185 -1.217 RESID 87 (A): HA 4.177 4.177 4.258 -0.081 RESID 87 (A): C 177.901 177.901 178.756 -0.855 RESID 87 (A): CA 54.580 54.580 53.100 1.480 RESID 87 (A): CB 18.675 18.675 18.333 0.342 RESID 87 (A): H 8.949 8.949 8.382 0.567 RESID 88 (D): N 114.859 114.859 119.562 -4.703 RESID 88 (D): HA 5.032 5.032 4.500 0.532 RESID 88 (D): C 177.564 177.564 177.265 0.299 RESID 88 (D): CA 54.500 54.500 55.820 -1.320 RESID 88 (D): CB 43.027 43.027 40.449 2.578 RESID 88 (D): H 8.201 8.201 8.699 -0.498 RESID 89 (K): N 124.691 124.691 118.877 5.814 RESID 89 (K): HA 3.367 3.367 4.062 -0.695 RESID 89 (K): C 177.108 177.108 178.743 -1.635 RESID 89 (K): CA 62.300 62.300 58.989 3.311 RESID 89 (K): CB 32.541 32.541 31.787 0.754 RESID 89 (K): H 7.553 7.553 7.559 -0.006 RESID 90 (Y): N 119.522 119.522 121.786 -2.264 RESID 90 (Y): HA 4.226 4.226 4.532 -0.306 RESID 90 (Y): C 175.856 175.856 177.173 -1.317 RESID 90 (Y): CA 62.070 62.070 60.850 1.220 RESID 90 (Y): CB 37.336 37.336 39.152 -1.816 RESID 90 (Y): H 9.244 9.244 7.662 1.582 RESID 91 (R): N 118.233 118.233 118.201 0.032 RESID 91 (R): HA 3.603 3.603 3.676 -0.073 RESID 91 (R): C 179.347 179.347 178.504 0.843 RESID 91 (R): CA 59.173 59.173 59.509 -0.336 RESID 91 (R): CB 29.209 29.209 30.302 -1.093 RESID 91 (R): H 8.973 8.973 8.157 0.816 RESID 92 (T): N 116.043 116.043 113.922 2.121 RESID 92 (T): HA 3.912 3.912 4.096 -0.184 RESID 92 (T): C 176.425 176.425 176.583 -0.158 RESID 92 (T): CA 67.061 67.061 65.474 1.587 RESID 92 (T): CB 68.762 68.762 68.334 0.428 RESID 92 (T): H 7.949 7.949 8.559 -0.610 RESID 93 (F): N 125.587 125.587 122.615 2.972 RESID 93 (F): HA 3.764 3.764 4.164 -0.400 RESID 93 (F): C 177.008 177.008 177.131 -0.123 RESID 93 (F): CA 62.783 62.783 61.724 1.059 RESID 93 (F): CB 39.771 39.771 38.726 1.045 RESID 93 (F): H 9.047 9.047 7.561 1.486 RESID 94 (V): N 118.057 118.057 117.957 0.100 RESID 94 (V): HA 3.285 3.285 3.939 -0.654 RESID 94 (V): C 179.641 179.641 177.998 1.643 RESID 94 (V): CA 67.046 67.046 65.122 1.924 RESID 94 (V): CB 31.890 31.890 31.593 0.297 RESID 94 (V): H 8.540 8.540 7.498 1.042 RESID 95 (A): N 121.659 121.659 121.065 0.594 RESID 95 (A): HA 4.076 4.076 3.991 0.085 RESID 95 (A): C 180.431 180.431 179.636 0.795 RESID 95 (A): CA 55.002 55.002 55.203 -0.201 RESID 95 (A): CB 18.135 18.135 18.300 -0.165 RESID 95 (A): H 8.056 8.056 7.677 0.379 RESID 96 (T): N 115.396 115.396 114.949 0.447 RESID 96 (T): HA 4.197 4.197 3.989 0.208 RESID 96 (T): C 176.605 176.605 176.474 0.131 RESID 96 (T): CA 68.450 68.450 65.766 2.684 RESID 96 (T): CB 66.738 66.738 68.825 -2.087 RESID 96 (T): H 7.904 7.904 8.286 -0.382 RESID 97 (F): N 123.502 123.502 122.195 1.307 RESID 97 (F): HA 3.628 3.628 4.002 -0.374 RESID 97 (F): C 177.130 177.130 176.875 0.255 RESID 97 (F): CA 61.883 61.883 60.449 1.434 RESID 97 (F): CB 39.300 39.300 38.378 0.922 RESID 97 (F): H 9.024 9.024 7.820 1.204 RESID 98 (G): N 107.348 107.348 106.938 0.410 RESID 98 (G): C 175.718 175.718 175.046 0.672 RESID 98 (G): CA 46.926 46.926 46.690 0.236 RESID 98 (G): H 8.476 8.476 7.431 1.045 RESID 99 (A): N 122.344 122.344 124.151 -1.807 RESID 99 (A): HA 4.130 4.130 4.037 0.093 RESID 99 (A): C 180.299 180.299 179.214 1.085 RESID 99 (A): CA 54.856 54.856 54.615 0.241 RESID 99 (A): CB 17.755 17.755 18.155 -0.400 RESID 99 (A): H 7.404 7.404 8.191 -0.787 RESID 100 (A): N 121.274 121.274 120.757 0.517 RESID 100 (A): HA 4.207 4.207 3.960 0.247 RESID 100 (A): C 181.140 181.140 179.563 1.577 RESID 100 (A): CA 54.496 54.496 55.004 -0.508 RESID 100 (A): CB 17.543 17.543 18.224 -0.681 RESID 100 (A): H 9.009 9.009 7.438 1.571 RESID 101 (S): N 116.676 116.676 113.282 3.394 RESID 101 (S): HA 4.202 4.202 3.999 0.203 RESID 101 (S): C 176.687 176.687 176.316 0.371 RESID 101 (S): CA 68.500 68.500 61.052 7.448 RESID 101 (S): CB 67.022 67.022 62.459 4.563 RESID 101 (S): H 7.861 7.861 7.784 0.077 RESID 102 (N): HA 4.281 4.281 4.312 -0.031 RESID 102 (N): CA 55.960 55.960 56.045 -0.086 RESID 102 (N): CB 37.701 37.701 38.246 -0.545 RESID 103 (K): N 120.130 120.130 120.557 -0.427 RESID 103 (K): HA 4.009 4.009 3.915 0.094 RESID 103 (K): C 177.809 177.809 178.447 -0.638 RESID 103 (K): CA 59.437 59.437 59.748 -0.311 RESID 103 (K): CB 32.638 32.638 32.463 0.175 RESID 103 (K): H 7.716 7.716 7.770 -0.054 RESID 104 (A): N 121.097 121.097 121.956 -0.859 RESID 104 (A): HA 3.994 3.994 4.069 -0.075 RESID 104 (A): C 180.119 180.119 179.659 0.460 RESID 104 (A): CA 54.666 54.666 55.257 -0.591 RESID 104 (A): CB 18.369 18.369 18.552 -0.183 RESID 104 (A): H 7.762 7.762 7.477 0.285 RESID 105 (F): N 116.920 116.920 118.681 -1.761 RESID 105 (F): HA 4.231 4.231 4.182 0.049 RESID 105 (F): C 177.950 177.950 177.892 0.058 RESID 105 (F): CA 59.775 59.775 59.915 -0.140 RESID 105 (F): CB 38.380 38.380 38.352 0.028 RESID 105 (F): H 8.508 8.508 8.852 -0.344 RESID 106 (A): N 121.978 121.978 119.365 2.613 RESID 106 (A): HA 4.180 4.180 4.106 0.074 RESID 106 (A): CA 54.164 54.164 54.627 -0.463 RESID 106 (A): CB 18.482 18.482 18.539 -0.057 RESID 106 (A): H 7.885 7.885 8.409 -0.524 RESID 107 (E): N 118.006 118.006 118.139 -0.133 RESID 107 (E): HA 4.125 4.125 4.351 -0.226 RESID 107 (E): C 177.933 177.933 178.251 -0.318 RESID 107 (E): CA 57.663 57.663 56.989 0.674 RESID 107 (E): CB 30.205 30.205 30.253 -0.048 RESID 107 (E): H 7.991 7.991 7.757 0.234 RESID 108 (G): N 108.097 108.097 108.238 -0.141 RESID 108 (G): C 174.327 174.327 175.362 -1.035 RESID 108 (G): CA 45.675 45.675 46.598 -0.923 RESID 108 (G): H 8.106 8.106 8.493 -0.387 RESID 109 (L): N 121.291 121.291 119.899 1.392 RESID 109 (L): HA 4.338 4.338 4.007 0.331 RESID 109 (L): C 177.737 177.737 177.180 0.557 RESID 109 (L): CA 55.404 55.404 56.337 -0.933 RESID 109 (L): CB 42.279 42.279 42.144 0.135 RESID 109 (L): H 7.965 7.965 7.325 0.640 RESID 110 (S): N 115.953 115.953 111.109 4.844 RESID 110 (S): HA 4.350 4.350 4.172 0.178 RESID 110 (S): C 175.049 175.049 174.192 0.857 RESID 110 (S): CA 58.898 58.898 58.497 0.401 RESID 110 (S): CB 63.724 63.724 62.563 1.161 RESID 110 (S): H 8.243 8.243 8.348 -0.105 RESID 111 (G): N 110.568 110.568 107.524 3.044 RESID 111 (G): C 173.855 173.855 174.148 -0.293 RESID 111 (G): CA 45.127 45.127 44.212 0.915 RESID 111 (G): H 8.392 8.392 8.139 0.253 RESID 112 (E): N 121.380 121.380 126.241 -4.861 RESID 112 (E): HA 4.538 4.538 4.102 0.436 RESID 112 (E): CA 54.191 54.191 59.054 -4.863 RESID 112 (E): CB 29.390 29.390 28.483 0.907 RESID 112 (E): H 8.060 8.060 8.291 -0.231 RESID 113 (P): HA 4.349 4.349 4.341 0.008 RESID 113 (P): CA 63.375 63.375 63.325 0.050 RESID 113 (P): CB 32.052 32.052 31.873 0.179 RESID 114 (K): N 121.571 121.571 116.323 5.248 RESID 114 (K): HA 4.246 4.246 4.016 0.230 RESID 114 (K): C 177.324 177.324 175.502 1.822 RESID 114 (K): CA 56.277 56.277 56.746 -0.469 RESID 114 (K): CB 32.803 32.803 30.543 2.260 RESID 114 (K): H 8.536 8.536 8.070 0.466 RESID 115 (G): N 110.197 110.197 105.426 4.771 RESID 115 (G): C 174.102 174.102 175.531 -1.429 RESID 115 (G): CA 45.232 45.232 43.694 1.538 RESID 115 (G): H 8.490 8.490 7.754 0.736 RESID 116 (A): N 123.966 123.966 127.166 -3.200 RESID 116 (A): HA 4.210 4.210 3.981 0.229 RESID 116 (A): C 178.191 178.191 179.255 -1.064 RESID 116 (A): CA 53.081 53.081 54.519 -1.438 RESID 116 (A): CB 19.458 19.458 18.609 0.849 RESID 116 (A): H 8.205 8.205 8.529 -0.324 RESID 117 (A): N 122.628 122.628 121.777 0.851 RESID 117 (A): HA 4.199 4.199 4.177 0.022 RESID 117 (A): C 178.499 178.499 179.692 -1.193 RESID 117 (A): CA 53.146 53.146 53.913 -0.768 RESID 117 (A): CB 19.106 19.106 17.933 1.173 RESID 117 (A): H 8.429 8.429 8.613 -0.184 RESID 118 (E): N 119.797 119.797 118.507 1.290 RESID 118 (E): HA 4.199 4.199 3.999 0.200 RESID 118 (E): C 177.223 177.223 178.176 -0.953 RESID 118 (E): CA 57.387 57.387 58.796 -1.409 RESID 118 (E): CB 30.168 30.168 29.073 1.095 RESID 118 (E): H 8.451 8.451 8.018 0.433 RESID 119 (S): N 116.850 116.850 113.138 3.712 RESID 119 (S): HA 4.397 4.397 4.474 -0.077 RESID 119 (S): C 175.564 175.564 176.432 -0.868 RESID 119 (S): CA 58.914 58.914 58.459 0.456 RESID 119 (S): CB 63.487 63.487 63.166 0.321 RESID 119 (S): H 8.432 8.432 8.032 0.400 RESID 120 (S): N 118.812 118.812 120.222 -1.410 RESID 120 (S): HA 4.330 4.330 4.233 0.097 RESID 120 (S): C 176.421 176.421 176.332 0.089 RESID 120 (S): CA 59.906 59.906 61.599 -1.693 RESID 120 (S): CB 63.110 63.110 62.862 0.248 RESID 120 (S): H 8.559 8.559 8.254 0.305 RESID 121 (S): N 118.669 118.669 116.899 1.770 RESID 121 (S): HA 4.288 4.288 4.282 0.006 RESID 121 (S): C 176.593 176.593 176.450 0.143 RESID 121 (S): CA 60.439 60.439 61.407 -0.968 RESID 121 (S): CB 62.780 62.780 63.117 -0.337 RESID 121 (S): H 8.462 8.462 8.194 0.268 RESID 122 (K): N 123.978 123.978 121.136 2.842 RESID 122 (K): HA 4.060 4.060 4.140 -0.080 RESID 122 (K): CA 59.263 59.263 57.568 1.696 RESID 122 (K): CB 32.296 32.296 31.664 0.632 RESID 122 (K): H 8.212 8.212 7.777 0.435 RESID 123 (A): N 123.450 123.450 122.415 1.035 RESID 123 (A): HA 4.136 4.136 4.133 0.003 RESID 123 (A): CA 54.330 54.330 55.038 -0.708 RESID 123 (A): CB 18.320 18.320 18.166 0.154 RESID 123 (A): H 8.209 8.209 7.656 0.553 RESID 124 (A): N 121.680 121.680 121.653 0.027 RESID 124 (A): HA 4.105 4.105 4.062 0.043 RESID 124 (A): CA 54.550 54.550 55.044 -0.494 RESID 124 (A): CB 18.260 18.260 18.002 0.258 RESID 124 (A): H 8.093 8.093 7.705 0.388 RESID 125 (L): N 120.426 120.426 119.186 1.240 RESID 125 (L): HA 4.072 4.072 4.110 -0.038 RESID 125 (L): C 178.680 178.680 178.827 -0.147 RESID 125 (L): CA 57.920 57.920 57.742 0.178 RESID 125 (L): CB 41.254 41.254 41.751 -0.497 RESID 125 (L): H 8.091 8.091 7.507 0.584 RESID 126 (T): N 112.939 112.939 112.660 0.279 RESID 126 (T): HA 4.045 4.045 4.207 -0.162 RESID 126 (T): C 176.662 176.662 177.080 -0.418 RESID 126 (T): CA 68.000 68.000 66.540 1.460 RESID 126 (T): CB 66.703 66.703 68.493 -1.790 RESID 126 (T): H 8.439 8.439 8.172 0.267 RESID 127 (S): N 116.674 116.674 118.260 -1.586 RESID 127 (S): HA 4.230 4.230 4.156 0.074 RESID 127 (S): C 177.500 177.500 176.415 1.085 RESID 127 (S): CA 61.651 61.651 62.815 -1.164 RESID 127 (S): CB 62.770 62.770 62.816 -0.046 RESID 127 (S): H 7.830 7.830 8.718 -0.888 RESID 128 (K): N 122.748 122.748 121.837 0.911 RESID 128 (K): HA 4.178 4.178 4.173 0.005 RESID 128 (K): C 180.027 180.027 178.719 1.308 RESID 128 (K): CA 59.720 59.720 59.002 0.718 RESID 128 (K): CB 32.811 32.811 32.443 0.368 RESID 128 (K): H 7.837 7.837 7.657 0.180 RESID 129 (L): N 122.100 122.100 120.229 1.871 RESID 129 (L): HA 3.680 3.680 4.324 -0.644 RESID 129 (L): C 176.494 176.494 179.449 -2.955 RESID 129 (L): CA 57.837 57.837 57.616 0.221 RESID 129 (L): CB 41.142 41.142 41.035 0.107 RESID 129 (L): H 8.389 8.389 7.966 0.423 RESID 130 (D): N 117.732 117.732 120.813 -3.081 RESID 130 (D): HA 4.104 4.104 4.546 -0.442 RESID 130 (D): C 178.771 178.771 178.381 0.390 RESID 130 (D): CA 57.828 57.828 57.177 0.651 RESID 130 (D): CB 41.591 41.591 41.167 0.424 RESID 130 (D): H 8.237 8.237 8.492 -0.255 RESID 131 (A): N 119.043 119.043 122.020 -2.977 RESID 131 (A): HA 4.031 4.031 4.235 -0.204 RESID 131 (A): C 180.501 180.501 179.696 0.805 RESID 131 (A): CA 55.080 55.080 55.045 0.035 RESID 131 (A): CB 17.836 17.836 18.556 -0.720 RESID 131 (A): H 7.701 7.701 8.379 -0.678 RESID 132 (A): N 123.553 123.553 121.153 2.400 RESID 132 (A): HA 4.097 4.097 4.120 -0.023 RESID 132 (A): C 179.369 179.369 178.891 0.478 RESID 132 (A): CA 54.773 54.773 54.946 -0.173 RESID 132 (A): CB 18.260 18.260 18.265 -0.005 RESID 132 (A): H 7.862 7.862 8.532 -0.670 RESID 133 (Y): N 119.392 119.392 120.259 -0.867 RESID 133 (Y): HA 4.127 4.127 4.065 0.062 RESID 133 (Y): C 180.484 180.484 177.711 2.773 RESID 133 (Y): CA 57.910 57.910 62.152 -4.242 RESID 133 (Y): CB 35.838 35.838 38.306 -2.468 RESID 133 (Y): H 8.847 8.847 7.788 1.059 RESID 134 (K): N 121.044 121.044 119.385 1.659 RESID 134 (K): HA 4.212 4.212 4.067 0.145 RESID 134 (K): C 178.998 178.998 179.050 -0.052 RESID 134 (K): CA 59.861 59.861 59.275 0.586 RESID 134 (K): CB 32.553 32.553 32.495 0.058 RESID 134 (K): H 8.298 8.298 7.760 0.538 RESID 135 (L): N 122.293 122.293 120.907 1.386 RESID 135 (L): HA 4.201 4.201 4.021 0.180 RESID 135 (L): C 180.381 180.381 178.204 2.177 RESID 135 (L): CA 57.871 57.871 57.639 0.231 RESID 135 (L): CB 41.852 41.852 41.591 0.261 RESID 135 (L): H 8.207 8.207 8.131 0.076 RESID 136 (A): N 124.897 124.897 121.580 3.317 RESID 136 (A): HA 3.736 3.736 3.983 -0.247 RESID 136 (A): C 178.374 178.374 178.991 -0.617 RESID 136 (A): CA 56.103 56.103 54.929 1.174 RESID 136 (A): CB 17.563 17.563 18.414 -0.851 RESID 136 (A): H 8.614 8.614 8.552 0.062 RESID 137 (Y): N 118.204 118.204 119.127 -0.923 RESID 137 (Y): HA 4.334 4.334 2.444 1.890 RESID 137 (Y): C 177.390 177.390 177.870 -0.480 RESID 137 (Y): CA 62.357 62.357 60.138 2.219 RESID 137 (Y): CB 38.728 38.728 37.603 1.125 RESID 137 (Y): H 8.320 8.320 7.764 0.556 RESID 138 (K): N 119.255 119.255 119.884 -0.629 RESID 138 (K): HA 3.897 3.897 3.476 0.421 RESID 138 (K): C 179.695 179.695 178.335 1.360 RESID 138 (K): CA 59.242 59.242 59.361 -0.119 RESID 138 (K): CB 32.309 32.309 32.249 0.060 RESID 138 (K): H 8.722 8.722 8.130 0.592 RESID 139 (T): N 116.244 116.244 110.744 5.500 RESID 139 (T): HA 4.120 4.120 3.953 0.167 RESID 139 (T): C 176.563 176.563 175.983 0.580 RESID 139 (T): CA 68.750 68.750 64.614 4.136 RESID 139 (T): CB 66.863 66.863 68.581 -1.718 RESID 139 (T): H 8.368 8.368 7.608 0.760 RESID 140 (A): N 124.310 124.310 123.941 0.369 RESID 140 (A): HA 3.884 3.884 3.904 -0.020 RESID 140 (A): C 179.123 179.123 178.181 0.942 RESID 140 (A): CA 54.887 54.887 54.333 0.554 RESID 140 (A): CB 19.489 19.489 17.865 1.624 RESID 140 (A): H 8.207 8.207 7.267 0.940 RESID 141 (E): N 117.572 117.572 117.336 0.236 RESID 141 (E): HA 3.696 3.696 3.883 -0.187 RESID 141 (E): C 177.623 177.623 178.093 -0.470 RESID 141 (E): CA 58.472 58.472 57.990 0.482 RESID 141 (E): CB 29.633 29.633 29.632 0.001 RESID 141 (E): H 8.324 8.324 7.248 1.076 RESID 142 (G): N 103.520 103.520 106.507 -2.987 RESID 142 (G): C 173.480 173.480 174.535 -1.055 RESID 142 (G): CA 44.841 44.841 45.333 -0.492 RESID 142 (G): H 7.333 7.333 7.272 0.061 RESID 143 (A): N 124.154 124.154 123.501 0.653 RESID 143 (A): HA 4.475 4.475 4.363 0.112 RESID 143 (A): C 177.290 177.290 176.962 0.328 RESID 143 (A): CA 50.615 50.615 51.814 -1.199 RESID 143 (A): CB 19.859 19.859 19.557 0.302 RESID 143 (A): H 7.339 7.339 7.498 -0.159 RESID 144 (T): N 112.353 112.353 115.449 -3.096 RESID 144 (T): HA 4.431 4.431 4.310 0.121 RESID 144 (T): C 174.105 174.105 174.902 -0.797 RESID 144 (T): CA 60.634 60.634 60.280 0.354 RESID 144 (T): CB 67.394 67.394 69.468 -2.074 RESID 144 (T): H 8.116 8.116 8.088 0.028 RESID 145 (P): HA 3.914 3.914 4.536 -0.622 RESID 145 (P): C 179.300 179.300 175.705 3.595 RESID 145 (P): CA 66.875 66.875 63.468 3.407 RESID 145 (P): CB 32.327 32.327 29.970 2.357 RESID 146 (E): N 116.397 116.397 120.081 -3.684 RESID 146 (E): HA 4.178 4.178 4.389 -0.211 RESID 146 (E): C 176.426 176.426 176.336 0.090 RESID 146 (E): CA 58.746 58.746 56.677 2.069 RESID 146 (E): CB 28.347 28.347 31.510 -3.163 RESID 146 (E): H 9.340 9.340 8.560 0.780 RESID 147 (A): N 123.484 123.484 121.051 2.433 RESID 147 (A): HA 4.678 4.678 4.601 0.077 RESID 147 (A): C 177.808 177.808 177.316 0.492 RESID 147 (A): CA 52.028 52.028 52.863 -0.835 RESID 147 (A): CB 20.943 20.943 19.300 1.643 RESID 147 (A): H 7.984 7.984 7.581 0.403 RESID 148 (K): N 120.663 120.663 121.461 -0.798 RESID 148 (K): HA 3.465 3.465 3.949 -0.484 RESID 148 (K): C 177.165 177.165 177.271 -0.106 RESID 148 (K): CA 61.675 61.675 59.542 2.133 RESID 148 (K): CB 33.075 33.075 32.109 0.966 RESID 148 (K): H 7.285 7.285 7.794 -0.509 RESID 149 (Y): N 118.061 118.061 119.659 -1.598 RESID 149 (Y): HA 4.059 4.059 4.387 -0.328 RESID 149 (Y): C 175.368 175.368 177.973 -2.605 RESID 149 (Y): CA 62.206 62.206 62.333 -0.126 RESID 149 (Y): CB 37.386 37.386 37.762 -0.376 RESID 149 (Y): H 8.793 8.793 8.272 0.521 RESID 150 (D): N 118.180 118.180 119.496 -1.316 RESID 150 (D): HA 3.820 3.820 4.356 -0.536 RESID 150 (D): C 178.927 178.927 178.555 0.372 RESID 150 (D): CA 57.373 57.373 57.587 -0.214 RESID 150 (D): CB 40.511 40.511 39.979 0.532 RESID 150 (D): H 8.442 8.442 8.071 0.371 RESID 152 (Y): HA 3.803 3.803 4.173 -0.370 RESID 152 (Y): C 176.950 176.950 177.725 -0.775 RESID 152 (Y): CA 62.480 62.480 59.306 3.175 RESID 152 (Y): CB 39.180 39.180 38.191 0.989 RESID 153 (V): N 116.500 116.500 118.383 -1.883 RESID 153 (V): HA 2.980 2.980 3.262 -0.282 RESID 153 (V): C 178.920 178.920 178.282 0.638 RESID 153 (V): CA 66.800 66.800 66.380 0.420 RESID 153 (V): CB 31.730 31.730 31.158 0.572 RESID 153 (V): H 8.126 8.126 8.446 -0.320 RESID 154 (A): N 122.151 122.151 121.160 0.991 RESID 154 (A): HA 3.981 3.981 4.069 -0.088 RESID 154 (A): C 176.909 176.909 179.585 -2.676 RESID 154 (A): CA 55.037 55.037 54.854 0.183 RESID 154 (A): CB 18.243 18.243 18.494 -0.251 RESID 154 (A): H 8.363 8.363 8.407 -0.044 RESID 155 (T): N 114.478 114.478 115.984 -1.506 RESID 155 (T): HA 3.807 3.807 3.996 -0.189 RESID 155 (T): C 176.582 176.582 176.274 0.308 RESID 155 (T): CA 66.731 66.731 66.485 0.246 RESID 155 (T): CB 68.550 68.550 68.785 -0.235 RESID 155 (T): H 7.590 7.590 7.910 -0.320 RESID 156 (L): N 122.590 122.590 121.227 1.363 RESID 156 (L): HA 3.873 3.873 3.989 -0.116 RESID 156 (L): CA 57.829 57.829 58.170 -0.341 RESID 156 (L): CB 42.149 42.149 41.905 0.244 RESID 156 (L): H 8.449 8.449 7.519 0.930 RESID 157 (S): N 112.486 112.486 113.004 -0.518 RESID 157 (S): HA 3.873 3.873 4.037 -0.164 RESID 157 (S): C 177.485 177.485 176.592 0.893 RESID 157 (S): CA 62.556 62.556 61.729 0.827 RESID 157 (S): CB 61.390 61.390 62.194 -0.804 RESID 157 (S): H 8.705 8.705 8.374 0.331 RESID 158 (E): N 121.019 121.019 122.198 -1.179 RESID 158 (E): HA 4.124 4.124 4.057 0.067 RESID 158 (E): C 177.558 177.558 178.201 -0.643 RESID 158 (E): CA 58.615 58.615 59.174 -0.559 RESID 158 (E): CB 29.232 29.232 29.366 -0.134 RESID 158 (E): H 7.408 7.408 7.765 -0.357 RESID 159 (A): N 120.731 120.731 122.621 -1.890 RESID 159 (A): HA 4.121 4.121 4.144 -0.023 RESID 159 (A): C 181.006 181.006 179.969 1.037 RESID 159 (A): CA 55.181 55.181 55.059 0.122 RESID 159 (A): CB 18.546 18.546 18.336 0.210 RESID 159 (A): H 7.803 7.803 7.948 -0.145 RESID 160 (L): N 116.637 116.637 118.098 -1.461 RESID 160 (L): HA 3.901 3.901 4.063 -0.162 RESID 160 (L): C 179.216 179.216 179.201 0.015 RESID 160 (L): CA 57.843 57.843 57.256 0.587 RESID 160 (L): CB 41.050 41.050 41.794 -0.744 RESID 160 (L): H 8.670 8.670 8.268 0.402 RESID 161 (R): N 121.986 121.986 120.313 1.673 RESID 161 (R): HA 3.908 3.908 4.058 -0.150 RESID 161 (R): C 179.790 179.790 178.601 1.189 RESID 161 (R): CA 59.657 59.657 58.698 0.959 RESID 161 (R): CB 29.935 29.935 29.673 0.262 RESID 161 (R): H 7.914 7.914 8.487 -0.573 RESID 162 (I): N 120.810 120.810 119.501 1.309 RESID 162 (I): HA 3.683 3.683 3.864 -0.181 RESID 162 (I): C 179.685 179.685 177.317 2.368 RESID 162 (I): CA 64.321 64.321 63.907 0.414 RESID 162 (I): CB 37.832 37.832 38.273 -0.441 RESID 162 (I): H 7.895 7.895 7.996 -0.101 RESID 163 (I): HA 3.560 3.560 3.725 -0.165 RESID 163 (I): CA 65.367 65.367 64.724 0.643 RESID 163 (I): CB 38.510 38.510 38.009 0.501 RESID 164 (A): N 121.450 121.450 120.038 1.412 RESID 164 (A): HA 3.938 3.938 4.145 -0.207 RESID 164 (A): C 179.920 179.920 179.446 0.474 RESID 164 (A): CA 55.090 55.090 54.754 0.336 RESID 164 (A): CB 18.170 18.170 18.195 -0.025 RESID 164 (A): H 8.525 8.525 7.768 0.757 RESID 165 (G): N 104.876 104.876 104.850 0.026 RESID 165 (G): C 175.831 175.831 175.556 0.275 RESID 165 (G): CA 46.602 46.602 46.036 0.566 RESID 165 (G): H 7.921 7.921 7.977 -0.056 RESID 166 (T): N 111.734 111.734 113.718 -1.984 RESID 166 (T): HA 4.306 4.306 4.263 0.043 RESID 166 (T): C 175.095 175.095 175.800 -0.705 RESID 166 (T): CA 63.000 63.000 63.397 -0.397 RESID 166 (T): CB 69.795 69.795 69.420 0.375 RESID 166 (T): H 7.786 7.786 7.660 0.126 RESID 167 (L): N 121.291 121.291 120.709 0.582 RESID 167 (L): HA 4.262 4.262 4.159 0.103 RESID 167 (L): C 177.004 177.004 177.253 -0.249 RESID 167 (L): CA 55.040 55.040 56.735 -1.695 RESID 167 (L): CB 42.292 42.292 42.123 0.169 RESID 167 (L): H 7.456 7.456 7.746 -0.290 RESID 168 (E): N 119.686 119.686 117.578 2.108 RESID 168 (E): HA 4.151 4.151 4.368 -0.217 RESID 168 (E): C 176.001 176.001 175.639 0.362 RESID 168 (E): CA 56.210 56.210 55.617 0.593 RESID 168 (E): CB 30.242 30.242 30.416 -0.174 RESID 168 (E): H 7.840 7.840 8.130 -0.290 RESID 169 (V): N 120.922 120.922 122.457 -1.535 RESID 169 (V): HA 3.979 3.979 4.357 -0.378 RESID 169 (V): C 175.876 175.876 175.277 0.599 RESID 169 (V): CA 56.270 56.270 62.086 -5.816 RESID 169 (V): H 8.060 8.060 8.265 -0.205 RESID 170 (H): N 122.829 122.829 126.788 -3.959 RESID 170 (H): HA 4.626 4.626 4.818 -0.192 RESID 170 (H): C 174.023 174.023 173.746 0.277 RESID 170 (H): CA 55.025 55.025 56.908 -1.883 RESID 170 (H): CB 29.661 29.661 32.260 -2.599 RESID 170 (H): H 8.560 8.560 8.715 -0.155 RESID 171 (A): N 125.857 125.857 127.985 -2.128 RESID 171 (A): HA 4.206 4.206 4.337 -0.131 RESID 171 (A): C 177.398 177.398 176.026 1.372 RESID 171 (A): CA 52.300 52.300 52.141 0.159 RESID 171 (A): CB 18.300 18.300 18.991 -0.691 RESID 171 (A): H 8.393 8.393 7.922 0.471 RESID 172 (V): N 120.329 120.329 119.186 1.143 RESID 172 (V): HA 4.011 4.011 4.011 -0.000 RESID 172 (V): C 175.833 175.833 176.213 -0.380 RESID 172 (V): CA 61.923 61.923 64.459 -2.536 RESID 172 (V): CB 32.550 32.550 31.875 0.675 RESID 172 (V): H 8.238 8.238 7.453 0.785 RESID 173 (K): N 127.029 127.029 119.779 7.250 RESID 173 (K): C 174.205 174.205 175.214 -1.009 RESID 173 (K): CA 54.059 54.059 53.982 0.077 RESID 173 (K): CB 32.437 32.437 32.477 -0.040 RESID 173 (K): H 8.442 8.442 7.960 0.482 RESID 174 (P): HA 4.322 4.322 4.261 0.061 RESID 174 (P): CA 63.140 63.140 64.334 -1.194 RESID 174 (P): CB 32.320 32.320 32.203 0.117 RESID 175 (A): N 125.330 125.330 118.912 6.418 RESID 175 (A): HA 4.189 4.189 4.500 -0.311 RESID 175 (A): C 178.296 178.296 176.092 2.204 RESID 175 (A): CA 53.043 53.043 51.330 1.713 RESID 175 (A): CB 19.376 19.376 20.639 -1.263 RESID 175 (A): H 8.430 8.430 7.507 0.923 RESID 176 (A): N 123.143 123.143 122.569 0.574 RESID 176 (A): HA 4.204 4.204 4.382 -0.178 RESID 176 (A): C 177.718 177.718 177.639 0.079 RESID 176 (A): CA 52.432 52.432 51.848 0.584 RESID 176 (A): CB 19.500 19.500 19.408 0.092 RESID 176 (A): H 8.326 8.326 8.184 0.142 RESID 177 (E): N 119.752 119.752 121.141 -1.389 RESID 177 (E): HA 4.142 4.142 4.238 -0.096 RESID 177 (E): C 176.350 176.350 176.571 -0.221 RESID 177 (E): CA 56.302 56.302 56.349 -0.047 RESID 177 (E): CB 30.333 30.333 30.375 -0.042 RESID 177 (E): H 8.354 8.354 8.303 0.051 RESID 178 (E): N 122.557 122.557 124.335 -1.778 RESID 178 (E): HA 4.193 4.193 4.238 -0.045 RESID 178 (E): C 176.260 176.260 176.243 0.017 RESID 178 (E): CA 56.307 56.307 56.275 0.032 RESID 178 (E): CB 30.542 30.542 30.128 0.414 RESID 178 (E): H 8.395 8.395 8.472 -0.077 RESID 179 (V): N 122.787 122.787 124.176 -1.389 RESID 179 (V): HA 3.983 3.983 4.102 -0.119 RESID 179 (V): C 175.871 175.871 176.449 -0.578 RESID 179 (V): CA 62.225 62.225 62.436 -0.211 RESID 179 (V): CB 32.459 32.459 32.101 0.358 RESID 179 (V): H 8.232 8.232 8.349 -0.117 RESID 180 (K): N 126.356 126.356 127.362 -1.006 RESID 180 (K): HA 4.315 4.315 4.395 -0.080 RESID 180 (K): C 176.090 176.090 175.989 0.101 RESID 180 (K): CA 55.880 55.880 55.708 0.172 RESID 180 (K): CB 33.000 33.000 33.222 -0.222 RESID 180 (K): H 8.427 8.427 8.372 0.055 RESID 181 (V): N 122.752 122.752 120.789 1.963 RESID 181 (V): HA 4.043 4.043 4.108 -0.065 RESID 181 (V): C 175.754 175.754 176.364 -0.610 RESID 181 (V): CA 61.803 61.803 62.659 -0.856 RESID 181 (V): CB 33.155 33.155 32.348 0.807 RESID 181 (V): H 8.244 8.244 8.299 -0.055 RESID 182 (I): N 127.826 127.826 128.972 -1.146 RESID 182 (I): C 174.257 174.257 174.413 -0.156 RESID 182 (I): CA 58.244 58.244 57.842 0.403 RESID 182 (I): CB 38.555 38.555 38.893 -0.338 RESID 182 (I): H 8.388 8.388 8.467 -0.079 RESID 183 (P): HA 4.330 4.330 4.329 0.001 RESID 183 (P): C 176.700 176.700 175.717 0.983 RESID 183 (P): CA 63.230 63.230 63.570 -0.340 RESID 183 (P): CB 32.380 32.380 32.229 0.151 RESID 184 (A): N 124.690 124.690 116.697 7.993 RESID 184 (A): HA 4.193 4.193 4.433 -0.240 RESID 184 (A): C 178.758 178.758 175.569 3.189 RESID 184 (A): CA 53.320 53.320 51.633 1.687 RESID 184 (A): CB 19.340 19.340 21.351 -2.011 RESID 184 (A): H 8.485 8.485 7.438 1.047 RESID 185 (G): N 107.324 107.324 107.448 -0.124 RESID 185 (G): C 174.758 174.758 173.532 1.226 RESID 185 (G): CA 45.717 45.717 44.804 0.913 RESID 185 (G): H 8.527 8.527 8.068 0.459 RESID 186 (E): N 120.410 120.410 120.423 -0.013 RESID 186 (E): HA 4.170 4.170 3.820 0.350 RESID 186 (E): C 177.470 177.470 176.529 0.941 RESID 186 (E): CA 57.890 57.890 57.993 -0.103 RESID 186 (E): CB 30.180 30.180 28.788 1.392 RESID 186 (E): H 8.262 8.262 8.509 -0.247 RESID 187 (L): N 121.652 121.652 120.513 1.139 RESID 187 (L): HA 4.140 4.140 4.247 -0.107 RESID 187 (L): C 178.002 178.002 178.794 -0.792 RESID 187 (L): CA 56.458 56.458 57.316 -0.858 RESID 187 (L): CB 42.056 42.056 40.727 1.329 RESID 187 (L): H 8.247 8.247 8.084 0.163 RESID 188 (Q): N 119.063 119.063 117.895 1.168 RESID 188 (Q): HA 4.205 4.205 4.111 0.094 RESID 188 (Q): C 177.544 177.544 177.999 -0.455 RESID 188 (Q): CA 57.584 57.584 58.352 -0.768 RESID 188 (Q): CB 28.421 28.421 27.828 0.592 RESID 188 (Q): H 8.377 8.377 8.725 -0.348 RESID 189 (V): N 118.808 118.808 121.074 -2.266 RESID 189 (V): HA 3.680 3.680 3.748 -0.067 RESID 189 (V): C 177.439 177.439 176.866 0.573 RESID 189 (V): CA 65.376 65.376 64.701 0.675 RESID 189 (V): CB 31.970 31.970 31.647 0.323 RESID 189 (V): H 7.872 7.872 7.613 0.259 RESID 190 (I): N 120.522 120.522 119.629 0.893 RESID 190 (I): HA 3.694 3.694 3.799 -0.105 RESID 190 (I): C 177.364 177.364 176.834 0.530 RESID 190 (I): CA 63.323 63.323 63.147 0.176 RESID 190 (I): CB 36.643 36.643 37.686 -1.043 RESID 190 (I): H 8.119 8.119 7.447 0.672 RESID 191 (E): N 120.185 120.185 120.108 0.077 RESID 191 (E): HA 4.141 4.141 4.009 0.132 RESID 191 (E): C 179.310 179.310 179.141 0.169 RESID 191 (E): CA 59.756 59.756 59.620 0.136 RESID 191 (E): CB 29.276 29.276 28.906 0.370 RESID 191 (E): H 8.175 8.175 7.914 0.261 RESID 192 (K): N 118.771 118.771 119.365 -0.594 RESID 192 (K): HA 4.211 4.211 4.068 0.143 RESID 192 (K): C 178.933 178.933 179.035 -0.102 RESID 192 (K): CA 58.020 58.020 59.055 -1.035 RESID 192 (K): CB 31.710 31.710 32.249 -0.539 RESID 192 (K): H 7.720 7.720 7.515 0.205 RESID 193 (V): N 121.979 121.979 120.240 1.739 RESID 193 (V): HA 3.537 3.537 3.661 -0.124 RESID 193 (V): C 176.912 176.912 178.201 -1.289 RESID 193 (V): CA 66.974 66.974 66.734 0.240 RESID 193 (V): CB 31.451 31.451 31.509 -0.058 RESID 193 (V): H 8.336 8.336 7.498 0.838 RESID 194 (D): N 121.596 121.596 119.413 2.183 RESID 194 (D): HA 4.396 4.396 4.399 -0.003 RESID 194 (D): C 178.097 178.097 178.403 -0.306 RESID 194 (D): CA 57.899 57.899 57.183 0.716 RESID 194 (D): CB 41.740 41.740 40.273 1.468 RESID 194 (D): H 8.588 8.588 7.907 0.681 RESID 195 (A): N 119.998 119.998 122.033 -2.035 RESID 195 (A): HA 4.101 4.101 4.229 -0.128 RESID 195 (A): C 180.638 180.638 179.892 0.746 RESID 195 (A): CA 55.393 55.393 54.890 0.503 RESID 195 (A): CB 17.915 17.915 18.443 -0.528 RESID 195 (A): H 7.834 7.834 7.459 0.375 RESID 196 (A): N 121.520 121.520 121.187 0.333 RESID 196 (A): HA 4.043 4.043 4.081 -0.038 RESID 196 (A): C 178.986 178.986 179.505 -0.519 RESID 196 (A): CA 54.730 54.730 54.551 0.179 RESID 196 (A): CB 19.220 19.220 18.067 1.153 RESID 196 (A): H 8.198 8.198 8.343 -0.145 RESID 197 (F): N 120.035 120.035 118.763 1.272 RESID 197 (F): HA 3.861 3.861 4.250 -0.389 RESID 197 (F): C 176.055 176.055 177.271 -1.216 RESID 197 (F): CA 61.833 61.833 61.788 0.046 RESID 197 (F): CB 39.090 39.090 39.341 -0.251 RESID 197 (F): H 9.092 9.092 7.903 1.189 RESID 198 (K): N 118.265 118.265 119.425 -1.160 RESID 198 (K): HA 3.815 3.815 3.952 -0.137 RESID 198 (K): C 180.112 180.112 178.556 1.556 RESID 198 (K): CA 59.826 59.826 60.236 -0.410 RESID 198 (K): CB 32.347 32.347 32.380 -0.033 RESID 198 (K): H 7.863 7.863 8.128 -0.265 RESID 199 (V): N 119.799 119.799 118.052 1.747 RESID 199 (V): HA 3.623 3.623 3.686 -0.063 RESID 199 (V): C 178.666 178.666 177.522 1.144 RESID 199 (V): CA 66.074 66.074 65.373 0.701 RESID 199 (V): CB 31.831 31.831 31.488 0.343 RESID 199 (V): H 7.580 7.580 7.883 -0.303 RESID 200 (A): N 125.339 125.339 121.314 4.025 RESID 200 (A): HA 3.635 3.635 4.101 -0.466 RESID 200 (A): C 178.388 178.388 178.738 -0.350 RESID 200 (A): CA 54.843 54.843 54.483 0.360 RESID 200 (A): CB 18.830 18.830 18.118 0.712 RESID 200 (A): H 8.166 8.166 7.504 0.662 RESID 201 (A): N 120.805 120.805 121.743 -0.938 RESID 201 (A): HA 4.000 4.000 4.024 -0.024 RESID 201 (A): C 180.740 180.740 179.440 1.300 RESID 201 (A): CA 54.550 54.550 54.779 -0.229 RESID 201 (A): CB 18.124 18.124 18.337 -0.213 RESID 201 (A): H 7.386 7.386 7.724 -0.338 RESID 202 (T): N 114.816 114.816 113.198 1.618 RESID 202 (T): HA 4.200 4.200 4.050 0.150 RESID 202 (T): C 175.840 175.840 176.047 -0.207 RESID 202 (T): CA 60.920 60.920 65.651 -4.731 RESID 202 (T): CB 62.070 62.070 68.963 -6.893 RESID 202 (T): H 8.322 8.322 8.194 0.128 RESID 203 (A): N 124.550 124.550 122.735 1.815 RESID 203 (A): HA 3.989 3.989 4.106 -0.117 RESID 203 (A): C 180.575 180.575 178.486 2.089 RESID 203 (A): CA 55.042 55.042 54.440 0.602 RESID 203 (A): CB 17.675 17.675 18.155 -0.480 RESID 203 (A): H 7.592 7.592 7.715 -0.123 RESID 204 (A): N 121.361 121.361 118.736 2.625 RESID 204 (A): HA 4.187 4.187 4.084 0.103 RESID 204 (A): C 179.867 179.867 179.175 0.692 RESID 204 (A): CA 55.224 55.224 53.333 1.891 RESID 204 (A): CB 18.791 18.791 19.020 -0.229 RESID 204 (A): H 8.758 8.758 7.599 1.159 RESID 205 (N): N 115.185 115.185 119.113 -3.928 RESID 205 (N): HA 4.189 4.189 4.363 -0.174 RESID 205 (N): C 175.555 175.555 177.022 -1.467 RESID 205 (N): CA 56.410 56.410 55.424 0.986 RESID 205 (N): CB 39.066 39.066 37.984 1.082 RESID 205 (N): H 8.220 8.220 8.349 -0.129 RESID 206 (A): N 117.946 117.946 120.736 -2.790 RESID 206 (A): HA 4.270 4.270 4.150 0.120 RESID 206 (A): C 176.827 176.827 177.406 -0.579 RESID 206 (A): CA 56.138 56.138 52.588 3.550 RESID 206 (A): CB 18.200 18.200 18.840 -0.640 RESID 206 (A): H 6.965 6.965 7.432 -0.467 RESID 207 (A): N 122.916 122.916 121.956 0.960 RESID 207 (A): HA 4.600 4.600 4.200 0.400 RESID 207 (A): C 174.478 174.478 176.433 -1.955 RESID 207 (A): CA 50.196 50.196 50.721 -0.526 RESID 207 (A): CB 18.287 18.287 18.341 -0.054 RESID 207 (A): H 7.240 7.240 7.232 0.008 RESID 208 (P): HA 4.373 4.373 4.209 0.164 RESID 208 (P): C 177.440 177.440 176.879 0.561 RESID 208 (P): CA 62.600 62.600 63.865 -1.265 RESID 208 (P): CB 32.243 32.243 31.274 0.969 RESID 209 (A): N 122.883 122.883 118.498 4.385 RESID 209 (A): HA 3.726 3.726 3.796 -0.070 RESID 209 (A): C 179.474 179.474 177.064 2.410 RESID 209 (A): CA 56.155 56.155 53.699 2.456 RESID 209 (A): CB 19.099 19.099 16.927 2.172 RESID 209 (A): H 8.620 8.620 8.240 0.380 RESID 210 (N): N 113.093 113.093 116.856 -3.763 RESID 210 (N): HA 4.519 4.519 4.663 -0.144 RESID 210 (N): C 176.000 176.000 174.305 1.695 RESID 210 (N): CA 55.226 55.226 54.179 1.047 RESID 210 (N): CB 38.057 38.057 38.427 -0.370 RESID 210 (N): H 8.933 8.933 8.550 0.383 RESID 211 (D): N 117.648 117.648 115.495 2.153 RESID 211 (D): HA 5.050 5.050 4.736 0.314 RESID 211 (D): C 175.953 175.953 174.605 1.348 RESID 211 (D): CA 54.110 54.110 53.593 0.518 RESID 211 (D): CB 42.936 42.936 41.743 1.193 RESID 211 (D): H 8.111 8.111 7.798 0.313 RESID 212 (K): N 118.713 118.713 120.986 -2.273 RESID 212 (K): HA 3.324 3.324 4.291 -0.967 RESID 212 (K): C 177.524 177.524 176.913 0.611 RESID 212 (K): CA 61.984 61.984 56.761 5.223 RESID 212 (K): CB 32.789 32.789 33.372 -0.583 RESID 212 (K): H 7.145 7.145 8.517 -1.372 RESID 213 (F): N 113.700 113.700 120.615 -6.915 RESID 213 (F): HA 4.087 4.087 4.307 -0.220 RESID 213 (F): C 178.141 178.141 177.314 0.827 RESID 213 (F): CA 62.473 62.473 61.907 0.566 RESID 213 (F): CB 38.303 38.303 37.896 0.407 RESID 213 (F): H 8.026 8.026 8.338 -0.312 RESID 214 (T): N 115.378 115.378 115.901 -0.523 RESID 214 (T): C 178.124 178.124 176.578 1.546 RESID 214 (T): CA 65.503 65.503 67.035 -1.532 RESID 214 (T): CB 68.803 68.803 68.488 0.315 RESID 214 (T): H 7.917 7.917 8.434 -0.517 RESID 215 (V): N 122.692 122.692 120.467 2.225 RESID 215 (V): HA 3.659 3.659 3.653 0.006 RESID 215 (V): C 177.771 177.771 177.147 0.624 RESID 215 (V): CA 66.361 66.361 66.269 0.092 RESID 215 (V): CB 31.360 31.360 31.393 -0.033 RESID 215 (V): H 8.430 8.430 7.866 0.564 RESID 216 (F): N 119.847 119.847 121.697 -1.850 RESID 216 (F): HA 3.799 3.799 3.982 -0.183 RESID 216 (F): C 176.989 176.989 177.136 -0.147 RESID 216 (F): CA 62.705 62.705 61.918 0.787 RESID 216 (F): CB 39.327 39.327 39.005 0.322 RESID 216 (F): H 8.651 8.651 7.523 1.128 RESID 217 (E): N 117.144 117.144 119.372 -2.228 RESID 217 (E): HA 3.863 3.863 4.042 -0.179 RESID 217 (E): C 177.894 177.894 178.992 -1.098 RESID 217 (E): CA 61.877 61.877 59.381 2.496 RESID 217 (E): CB 30.062 30.062 29.618 0.444 RESID 217 (E): H 8.650 8.650 9.082 -0.432 RESID 218 (A): N 119.130 119.130 122.547 -3.417 RESID 218 (A): HA 4.213 4.213 4.214 -0.001 RESID 218 (A): C 180.238 180.238 179.392 0.846 RESID 218 (A): CA 55.118 55.118 54.794 0.324 RESID 218 (A): CB 18.020 18.020 18.311 -0.291 RESID 218 (A): H 7.759 7.759 7.707 0.052 RESID 219 (A): N 119.419 119.419 121.562 -2.143 RESID 219 (A): HA 4.146 4.146 4.068 0.078 RESID 219 (A): C 180.499 180.499 179.645 0.854 RESID 219 (A): CA 54.530 54.530 54.608 -0.078 RESID 219 (A): CB 18.890 18.890 18.458 0.432 RESID 219 (A): H 8.475 8.475 8.428 0.047 RESID 220 (F): N 120.754 120.754 118.669 2.085 RESID 220 (F): HA 4.196 4.196 3.865 0.331 RESID 220 (F): C 177.427 177.427 177.208 0.219 RESID 220 (F): CA 58.832 58.832 61.734 -2.902 RESID 220 (F): CB 39.740 39.740 38.357 1.383 RESID 220 (F): H 9.026 9.026 8.620 0.406 RESID 221 (N): N 116.941 116.941 116.217 0.724 RESID 221 (N): HA 4.390 4.390 4.515 -0.125 RESID 221 (N): CA 56.230 56.230 55.617 0.613 RESID 221 (N): CB 37.995 37.995 38.583 -0.588 RESID 221 (N): H 8.485 8.485 7.700 0.785 RESID 222 (D): N 119.493 119.493 120.306 -0.813 RESID 222 (D): HA 4.366 4.366 4.571 -0.205 RESID 222 (D): C 178.832 178.832 177.809 1.023 RESID 222 (D): CA 57.697 57.697 56.707 0.990 RESID 222 (D): CB 40.537 40.537 40.890 -0.353 RESID 222 (D): H 8.283 8.283 8.276 0.007 RESID 223 (A): N 122.201 122.201 122.416 -0.215 RESID 223 (A): HA 4.138 4.138 3.949 0.189 RESID 223 (A): CA 54.892 54.892 55.119 -0.227 RESID 223 (A): CB 18.251 18.251 18.252 -0.001 RESID 223 (A): H 8.175 8.175 8.023 0.152 RESID 224 (I): N 122.960 122.960 117.738 5.222 RESID 224 (I): HA 3.396 3.396 3.403 -0.007 RESID 224 (I): C 178.030 178.030 177.924 0.106 RESID 224 (I): CA 65.320 65.320 65.181 0.138 RESID 224 (I): CB 38.150 38.150 37.587 0.563 RESID 224 (I): H 8.525 8.525 7.323 1.202 RESID 225 (K): N 124.150 124.150 120.659 3.491 RESID 225 (K): HA 4.130 4.130 4.021 0.109 RESID 225 (K): C 179.190 179.190 177.711 1.479 RESID 225 (K): CA 58.594 58.594 58.731 -0.137 RESID 225 (K): CB 32.489 32.489 32.415 0.074 RESID 225 (K): H 8.457 8.457 7.508 0.949 RESID 226 (A): N 119.804 119.804 119.505 0.299 RESID 226 (A): HA 4.128 4.128 4.130 -0.002 RESID 226 (A): C 181.843 181.843 180.229 1.614 RESID 226 (A): CA 55.012 55.012 54.559 0.453 RESID 226 (A): CB 18.473 18.473 18.963 -0.490 RESID 226 (A): H 8.191 8.191 8.416 -0.225 RESID 227 (S): N 113.402 113.402 114.061 -0.659 RESID 227 (S): HA 4.350 4.350 4.157 0.193 RESID 227 (S): C 176.071 176.071 176.335 -0.264 RESID 227 (S): CA 61.259 61.259 61.367 -0.108 RESID 227 (S): CB 63.414 63.414 63.344 0.070 RESID 227 (S): H 8.568 8.568 8.200 0.368 RESID 228 (T): N 109.170 109.170 109.504 -0.334 RESID 228 (T): HA 4.605 4.605 4.218 0.387 RESID 228 (T): CA 61.453 61.453 62.607 -1.154 RESID 228 (T): CB 69.732 69.732 69.195 0.537 RESID 228 (T): H 7.804 7.804 7.463 0.341 RESID 229 (G): N 113.451 113.451 110.050 3.401 RESID 229 (G): C 178.132 178.132 174.421 3.711 RESID 229 (G): CA 47.149 47.149 45.711 1.438 RESID 229 (G): H 7.988 7.988 7.971 0.017 RESID 230 (G): N 105.298 105.298 110.031 -4.733 RESID 230 (G): C 173.856 173.856 173.401 0.455 RESID 230 (G): CA 44.492 44.492 45.177 -0.685 RESID 230 (G): H 8.792 8.792 7.894 0.898 RESID 231 (A): N 122.893 122.893 123.517 -0.624 RESID 231 (A): HA 3.777 3.777 4.218 -0.441 RESID 231 (A): C 177.041 177.041 176.520 0.521 RESID 231 (A): CA 54.513 54.513 52.210 2.303 RESID 231 (A): CB 18.998 18.998 19.570 -0.572 RESID 231 (A): H 7.467 7.467 7.887 -0.420 RESID 232 (Y): N 112.629 112.629 113.310 -0.681 RESID 232 (Y): HA 4.396 4.396 4.121 0.275 RESID 232 (Y): C 174.659 174.659 174.351 0.308 RESID 232 (Y): CA 55.932 55.932 58.272 -2.340 RESID 232 (Y): CB 39.848 39.848 36.499 3.349 RESID 232 (Y): H 7.332 7.332 8.174 -0.842 RESID 233 (E): N 117.684 117.684 118.209 -0.525 RESID 233 (E): HA 3.790 3.790 4.139 -0.349 RESID 233 (E): C 174.348 174.348 177.545 -3.197 RESID 233 (E): CA 57.064 57.064 57.384 -0.320 RESID 233 (E): CB 30.734 30.734 29.583 1.151 RESID 233 (E): H 7.995 7.995 7.906 0.089 RESID 234 (S): N 107.099 107.099 116.515 -9.416 RESID 234 (S): HA 4.495 4.495 4.193 0.302 RESID 234 (S): C 175.141 175.141 175.245 -0.104 RESID 234 (S): CA 55.872 55.872 59.819 -3.947 RESID 234 (S): CB 64.988 64.988 63.626 1.362 RESID 234 (S): H 7.318 7.318 8.637 -1.319 RESID 235 (Y): N 119.162 119.162 120.916 -1.754 RESID 235 (Y): HA 4.093 4.093 4.765 -0.672 RESID 235 (Y): C 175.305 175.305 178.178 -2.873 RESID 235 (Y): CA 59.694 59.694 59.190 0.504 RESID 235 (Y): CB 37.650 37.650 38.664 -1.014 RESID 235 (Y): H 8.629 8.629 8.417 0.212 RESID 236 (K): N 118.163 118.163 115.131 3.032 RESID 236 (K): HA 3.573 3.573 3.971 -0.398 RESID 236 (K): C 176.427 176.427 175.723 0.704 RESID 236 (K): CA 58.000 58.000 58.029 -0.029 RESID 236 (K): CB 31.520 31.520 31.255 0.265 RESID 236 (K): H 7.384 7.384 8.865 -1.481 RESID 237 (F): N 115.377 115.377 119.481 -4.104 RESID 237 (F): HA 4.433 4.433 4.430 0.003 RESID 237 (F): C 174.114 174.114 176.191 -2.077 RESID 237 (F): CA 57.852 57.852 57.893 -0.041 RESID 237 (F): CB 39.745 39.745 39.129 0.616 RESID 237 (F): H 7.258 7.258 8.212 -0.954 RESID 238 (I): N 120.764 120.764 120.278 0.486 RESID 238 (I): HA 4.409 4.409 3.767 0.642 RESID 238 (I): CA 58.300 58.300 60.511 -2.211 RESID 238 (I): CB 38.600 38.600 36.901 1.700 RESID 238 (I): H 7.389 7.389 8.725 -1.336 RESID 239 (P): HA 4.306 4.306 4.265 0.041 RESID 239 (P): C 178.950 178.950 176.921 2.029 RESID 239 (P): CA 66.670 66.670 63.825 2.845 RESID 239 (P): CB 32.190 32.190 31.965 0.225 RESID 240 (A): N 118.854 118.854 121.823 -2.969 RESID 240 (A): HA 4.134 4.134 4.036 0.098 RESID 240 (A): CA 55.031 55.031 53.282 1.749 RESID 240 (A): CB 18.841 18.841 17.973 0.868 RESID 240 (A): H 9.101 9.101 8.390 0.711 RESID 241 (L): N 118.846 118.846 121.796 -2.950 RESID 241 (L): HA 4.250 4.250 3.967 0.283 RESID 241 (L): C 177.407 177.407 178.380 -0.973 RESID 241 (L): CA 56.333 56.333 58.797 -2.463 RESID 241 (L): CB 42.390 42.390 41.610 0.780 RESID 241 (L): H 7.731 7.731 7.817 -0.086 RESID 242 (E): N 122.048 122.048 119.863 2.185 RESID 242 (E): HA 3.961 3.961 4.098 -0.137 RESID 242 (E): C 178.465 178.465 178.732 -0.267 RESID 242 (E): CA 60.820 60.820 60.067 0.753 RESID 242 (E): CB 28.886 28.886 29.783 -0.897 RESID 242 (E): H 8.705 8.705 8.697 0.008 RESID 243 (A): N 118.880 118.880 121.405 -2.525 RESID 243 (A): HA 4.038 4.038 4.296 -0.258 RESID 243 (A): C 179.841 179.841 179.401 0.440 RESID 243 (A): CA 54.930 54.930 54.236 0.694 RESID 243 (A): CB 17.700 17.700 18.296 -0.596 RESID 243 (A): H 8.105 8.105 8.027 0.078 RESID 244 (A): N 121.399 121.399 122.499 -1.100 RESID 244 (A): HA 4.037 4.037 3.981 0.056 RESID 244 (A): C 179.839 179.839 179.554 0.285 RESID 244 (A): CA 55.418 55.418 54.917 0.501 RESID 244 (A): H 7.491 7.491 8.614 -1.123 RESID 245 (V): N 120.239 120.239 117.941 2.298 RESID 245 (V): HA 3.382 3.382 3.618 -0.236 RESID 245 (V): C 177.909 177.909 177.982 -0.073 RESID 245 (V): CA 67.163 67.163 66.656 0.507 RESID 245 (V): CB 31.790 31.790 31.070 0.720 RESID 245 (V): H 8.612 8.612 8.731 -0.119 RESID 246 (K): N 119.270 119.270 119.633 -0.363 RESID 246 (K): HA 4.165 4.165 3.974 0.191 RESID 246 (K): C 180.603 180.603 178.885 1.718 RESID 246 (K): CA 60.553 60.553 59.249 1.304 RESID 246 (K): CB 31.828 31.828 32.169 -0.341 RESID 246 (K): H 8.366 8.366 7.520 0.846 RESID 247 (Q): N 120.085 120.085 118.772 1.313 RESID 247 (Q): HA 4.055 4.055 4.077 -0.022 RESID 247 (Q): C 178.255 178.255 178.008 0.247 RESID 247 (Q): CA 58.524 58.524 58.697 -0.173 RESID 247 (Q): CB 28.234 28.234 28.762 -0.527 RESID 247 (Q): H 8.302 8.302 7.709 0.593 RESID 248 (A): N 125.463 125.463 122.817 2.646 RESID 248 (A): HA 3.877 3.877 3.949 -0.072 RESID 248 (A): C 179.700 179.700 179.611 0.089 RESID 248 (A): CA 55.253 55.253 55.446 -0.193 RESID 248 (A): CB 18.658 18.658 18.404 0.254 RESID 248 (A): H 8.194 8.194 7.751 0.443 RESID 249 (Y): N 116.381 116.381 116.467 -0.086 RESID 249 (Y): HA 4.300 4.300 4.513 -0.213 RESID 249 (Y): C 180.993 180.993 177.259 3.734 RESID 249 (Y): CA 63.361 63.361 60.176 3.185 RESID 249 (Y): CB 38.068 38.068 38.293 -0.225 RESID 249 (Y): H 8.686 8.686 8.184 0.502 RESID 250 (A): N 124.956 124.956 121.170 3.786 RESID 250 (A): HA 4.161 4.161 4.312 -0.151 RESID 250 (A): C 179.621 179.621 177.947 1.674 RESID 250 (A): CA 55.220 55.220 53.459 1.761 RESID 250 (A): CB 17.500 17.500 18.370 -0.870 RESID 250 (A): H 8.448 8.448 7.406 1.042 RESID 251 (A): N 119.409 119.409 120.615 -1.206 RESID 251 (A): HA 4.163 4.163 4.373 -0.210 RESID 251 (A): C 178.588 178.588 179.302 -0.714 RESID 251 (A): CA 55.206 55.206 53.579 1.627 RESID 251 (A): CB 17.804 17.804 19.800 -1.996 RESID 251 (A): H 7.649 7.649 8.142 -0.493 RESID 252 (T): N 106.194 106.194 114.431 -8.237 RESID 252 (T): HA 4.392 4.392 3.744 0.648 RESID 252 (T): C 176.679 176.679 176.267 0.412 RESID 252 (T): CA 62.376 62.376 65.786 -3.410 RESID 252 (T): CB 70.838 70.838 68.112 2.726 RESID 252 (T): H 7.806 7.806 8.083 -0.277 RESID 253 (V): N 121.805 121.805 120.980 0.825 RESID 253 (V): HA 3.754 3.754 3.646 0.108 RESID 253 (V): C 176.213 176.213 176.487 -0.274 RESID 253 (V): CA 65.339 65.339 65.229 0.110 RESID 253 (V): CB 31.971 31.971 31.544 0.426 RESID 253 (V): H 7.173 7.173 8.179 -1.006 RESID 254 (A): N 122.834 122.834 119.748 3.086 RESID 254 (A): HA 4.457 4.457 4.583 -0.126 RESID 254 (A): C 177.007 177.007 175.800 1.207 RESID 254 (A): CA 51.859 51.859 50.685 1.174 RESID 254 (A): CB 18.494 18.494 18.504 -0.010 RESID 254 (A): H 8.542 8.542 7.568 0.974 RESID 255 (T): N 114.241 114.241 115.740 -1.499 RESID 255 (T): HA 4.222 4.222 4.341 -0.119 RESID 255 (T): C 173.687 173.687 173.274 0.413 RESID 255 (T): CA 62.138 62.138 61.465 0.673 RESID 255 (T): CB 70.584 70.584 72.516 -1.932 RESID 255 (T): H 7.469 7.469 7.661 -0.192 RESID 256 (A): N 128.290 128.290 126.248 2.042 RESID 256 (A): HA 4.515 4.515 4.296 0.219 RESID 256 (A): C 176.782 176.782 176.720 0.062 RESID 256 (A): CA 51.165 51.165 51.353 -0.188 RESID 256 (A): CB 17.596 17.596 18.665 -1.069 RESID 256 (A): H 8.625 8.625 8.222 0.403 RESID 257 (P): HA 4.089 4.089 4.422 -0.333 RESID 257 (P): C 178.670 178.670 175.716 2.954 RESID 257 (P): CA 66.250 66.250 63.355 2.895 RESID 257 (P): CB 32.400 32.400 30.038 2.362 RESID 258 (E): N 115.538 115.538 122.735 -7.197 RESID 258 (E): HA 4.205 4.205 4.420 -0.215 RESID 258 (E): C 177.484 177.484 176.245 1.239 RESID 258 (E): CA 59.489 59.489 57.132 2.357 RESID 258 (E): CB 28.896 28.896 31.511 -2.615 RESID 258 (E): H 9.711 9.711 8.410 1.301 RESID 259 (V): N 113.043 113.043 114.381 -1.338 RESID 259 (V): HA 4.641 4.641 4.621 0.020 RESID 259 (V): C 175.536 175.536 176.103 -0.567 RESID 259 (V): CA 61.065 61.065 61.303 -0.238 RESID 259 (V): CB 32.652 32.652 32.217 0.435 RESID 259 (V): H 7.765 7.765 7.546 0.219 RESID 260 (K): N 121.849 121.849 123.240 -1.391 RESID 260 (K): HA 3.769 3.769 3.860 -0.091 RESID 260 (K): C 177.750 177.750 178.635 -0.885 RESID 260 (K): CA 61.507 61.507 59.906 1.601 RESID 260 (K): CB 34.189 34.189 31.847 2.342 RESID 260 (K): H 7.415 7.415 8.613 -1.198 RESID 261 (Y): N 117.222 117.222 116.638 0.584 RESID 261 (Y): HA 3.803 3.803 4.420 -0.617 RESID 261 (Y): C 176.020 176.020 178.006 -1.986 RESID 261 (Y): CA 62.761 62.761 60.907 1.854 RESID 261 (Y): CB 36.982 36.982 37.737 -0.756 RESID 261 (Y): H 8.942 8.942 7.856 1.086 RESID 262 (T): N 115.869 115.869 116.659 -0.790 RESID 262 (T): HA 4.136 4.136 3.989 0.147 RESID 262 (T): C 177.136 177.136 176.308 0.828 RESID 262 (T): CA 68.855 68.855 67.132 1.723 RESID 262 (T): CB 66.818 66.818 68.230 -1.412 RESID 262 (T): H 7.822 7.822 8.046 -0.224 RESID 263 (V): N 123.471 123.471 121.218 2.253 RESID 263 (V): HA 3.507 3.507 3.696 -0.189 RESID 263 (V): C 178.020 178.020 177.580 0.440 RESID 263 (V): CA 67.000 67.000 67.392 -0.392 RESID 263 (V): CB 31.699 31.699 31.165 0.534 RESID 263 (V): H 8.051 8.051 8.618 -0.567 RESID 264 (F): N 123.178 123.178 120.104 3.074 RESID 264 (F): HA 3.812 3.812 4.045 -0.233 RESID 264 (F): C 175.217 175.217 177.564 -2.347 RESID 264 (F): CA 60.720 60.720 61.605 -0.885 RESID 264 (F): CB 39.637 39.637 38.922 0.715 RESID 264 (F): H 8.047 8.047 7.535 0.512 RESID 265 (E): N 120.524 120.524 118.454 2.070 RESID 265 (E): HA 2.959 2.959 4.360 -1.401 RESID 265 (E): C 178.300 178.300 179.279 -0.979 RESID 265 (E): CA 59.854 59.854 59.295 0.559 RESID 265 (E): CB 30.318 30.318 29.490 0.828 RESID 265 (E): H 8.830 8.830 8.262 0.568 RESID 266 (T): N 114.371 114.371 117.762 -3.391 RESID 266 (T): HA 3.694 3.694 4.021 -0.327 RESID 266 (T): C 176.020 176.020 176.524 -0.504 RESID 266 (T): CA 66.645 66.645 66.607 0.038 RESID 266 (T): CB 68.704 68.704 68.847 -0.143 RESID 266 (T): H 7.978 7.978 8.677 -0.699 RESID 267 (A): N 124.070 124.070 124.093 -0.023 RESID 267 (A): HA 3.899 3.899 4.089 -0.190 RESID 267 (A): C 180.615 180.615 179.133 1.482 RESID 267 (A): CA 54.950 54.950 55.249 -0.299 RESID 267 (A): CB 17.668 17.668 18.126 -0.458 RESID 267 (A): H 7.908 7.908 8.700 -0.792 RESID 268 (L): N 121.494 121.494 118.848 2.646 RESID 268 (L): HA 3.716 3.716 3.835 -0.119 RESID 268 (L): C 177.403 177.403 179.126 -1.723 RESID 268 (L): CA 57.095 57.095 57.807 -0.712 RESID 268 (L): CB 35.715 35.715 40.762 -5.047 RESID 268 (L): H 8.499 8.499 7.444 1.055 RESID 269 (K): N 118.900 118.900 118.421 0.479 RESID 269 (K): HA 2.946 2.946 3.777 -0.831 RESID 269 (K): C 179.440 179.440 179.343 0.097 RESID 269 (K): CA 59.500 59.500 59.150 0.350 RESID 269 (K): CB 31.880 31.880 31.812 0.068 RESID 269 (K): H 7.678 7.678 7.605 0.073 RESID 270 (K): N 118.900 118.900 119.262 -0.362 RESID 270 (K): HA 3.814 3.814 4.033 -0.219 RESID 270 (K): C 178.960 178.960 178.944 0.016 RESID 270 (K): CA 59.770 59.770 59.063 0.707 RESID 270 (K): CB 32.330 32.330 32.179 0.151 RESID 270 (K): H 7.678 7.678 7.650 0.028 RESID 271 (A): N 122.628 122.628 122.797 -0.169 RESID 271 (A): HA 4.078 4.078 4.045 0.033 RESID 271 (A): C 180.707 180.707 179.693 1.014 RESID 271 (A): CA 54.835 54.835 55.102 -0.267 RESID 271 (A): CB 18.694 18.694 18.382 0.312 RESID 271 (A): H 7.699 7.699 8.072 -0.373 RESID 272 (I): N 120.190 120.190 118.165 2.025 RESID 272 (I): HA 3.616 3.616 3.565 0.051 RESID 272 (I): C 178.458 178.458 178.207 0.251 RESID 272 (I): CA 65.296 65.296 65.135 0.161 RESID 272 (I): CB 37.724 37.724 37.818 -0.094 RESID 272 (I): H 8.519 8.519 8.293 0.226 RESID 273 (T): N 118.748 118.748 116.818 1.930 RESID 273 (T): HA 4.227 4.227 3.892 0.335 RESID 273 (T): C 176.122 176.122 176.059 0.063 RESID 273 (T): CA 68.686 68.686 67.368 1.318 RESID 273 (T): CB 67.031 67.031 68.148 -1.117 RESID 273 (T): H 8.329 8.329 8.164 0.165 RESID 274 (A): N 122.829 122.829 125.068 -2.239 RESID 274 (A): HA 4.120 4.120 4.020 0.100 RESID 274 (A): C 180.580 180.580 179.386 1.194 RESID 274 (A): CA 55.013 55.013 55.051 -0.038 RESID 274 (A): CB 17.770 17.770 18.299 -0.528 RESID 274 (A): H 7.841 7.841 7.898 -0.057 RESID 275 (M): N 118.352 118.352 116.393 1.959 RESID 275 (M): HA 4.082 4.082 4.217 -0.135 RESID 275 (M): C 178.226 178.226 178.654 -0.428 RESID 275 (M): CA 59.240 59.240 57.086 2.154 RESID 275 (M): CB 33.624 33.624 31.928 1.696 RESID 275 (M): H 7.886 7.886 8.064 -0.178 RESID 276 (S): N 115.242 115.242 116.644 -1.402 RESID 276 (S): HA 4.100 4.100 4.194 -0.094 RESID 276 (S): C 176.687 176.687 176.644 0.043 RESID 276 (S): CA 60.920 60.920 61.446 -0.526 RESID 276 (S): CB 62.763 62.763 63.216 -0.453 RESID 276 (S): H 8.154 8.154 7.961 0.193 RESID 277 (E): N 120.950 120.950 121.823 -0.873 RESID 277 (E): HA 3.990 3.990 3.991 -0.001 RESID 277 (E): C 178.562 178.562 178.692 -0.130 RESID 277 (E): CA 58.426 58.426 59.052 -0.626 RESID 277 (E): CB 29.510 29.510 29.811 -0.301 RESID 277 (E): H 8.336 8.336 8.503 -0.167 RESID 278 (A): N 121.655 121.655 121.379 0.276 RESID 278 (A): HA 4.137 4.137 4.061 0.076 RESID 278 (A): C 179.412 179.412 179.644 -0.232 RESID 278 (A): CA 54.163 54.163 54.988 -0.825 RESID 278 (A): CB 18.234 18.234 18.035 0.199 RESID 278 (A): H 7.943 7.943 8.487 -0.544 RESID 279 (Q): N 116.951 116.951 118.451 -1.500 RESID 279 (Q): HA 4.138 4.138 4.062 0.076 RESID 279 (Q): C 177.164 177.164 177.095 0.069 RESID 279 (Q): CA 56.987 56.987 58.885 -1.898 RESID 279 (Q): CB 28.602 28.602 28.544 0.058 RESID 279 (Q): H 7.791 7.791 7.698 0.093 RESID 280 (K): N 119.993 119.993 116.436 3.557 RESID 280 (K): HA 4.089 4.089 4.328 -0.239 RESID 280 (K): C 176.909 176.909 178.680 -1.771 RESID 280 (K): CA 57.700 57.700 57.693 0.007 RESID 280 (K): CB 32.860 32.860 32.528 0.332 RESID 280 (K): H 7.863 7.863 7.506 0.357 RESID 281 (A): N 122.367 122.367 121.315 1.052 RESID 281 (A): HA 4.206 4.206 4.173 0.033 RESID 281 (A): C 177.375 177.375 177.413 -0.038 RESID 281 (A): CA 52.474 52.474 52.757 -0.283 RESID 281 (A): CB 19.140 19.140 18.733 0.407 RESID 281 (A): H 7.841 7.841 8.071 -0.230 RESID 282 (A): N 122.465 122.465 120.233 2.232 RESID 282 (A): HA 4.211 4.211 4.092 0.119 RESID 282 (A): C 177.333 177.333 176.661 0.672 RESID 282 (A): CA 52.413 52.413 52.480 -0.067 RESID 282 (A): CB 19.016 19.016 17.039 1.977 RESID 282 (A): H 7.891 7.891 7.787 0.104 RESID 283 (K): N 121.934 121.934 116.695 5.239 RESID 283 (K): HA 4.560 4.560 4.061 0.499 RESID 283 (K): C 181.141 181.141 174.235 6.906 RESID 283 (K): CA 54.069 54.069 56.123 -2.054 RESID 283 (K): CB 32.644 32.644 31.741 0.903 RESID 283 (K): H 8.140 8.140 8.379 -0.239 RESID 284 (P): HA 4.331 4.331 4.513 -0.182 RESID 284 (P): C 172.250 172.250 177.083 -4.833 RESID 284 (P): CA 63.500 63.500 62.675 0.825 RESID 284 (P): CB 32.160 32.160 32.385 -0.225 N HA C CA CB H RESID 57 (G): 1.127 ----- -1.205 -0.381 ----- 0.110 RESID 58 (K): -0.485 -0.104 -0.111 0.558 0.322 0.448 RESID 59 (A): -1.803 0.189 0.053 -1.493 0.740 -0.077 RESID 60 (T): 4.090 0.000 1.429 0.572 0.050 0.888 RESID 61 (T): 2.429 -0.219 0.521 2.039 -0.661 0.379 RESID 62 (E): 0.051 -0.093 0.917 -0.071 -0.291 0.173 RESID 63 (E): 1.283 -0.215 -1.071 1.482 0.063 0.541 RESID 64 (Q): 0.187 -0.126 0.046 -0.075 0.051 0.133 RESID 65 (K): 0.021 -0.235 0.299 0.825 0.834 0.629 RESID 66 (L): 0.289 -0.050 0.684 0.626 -0.879 -0.101 RESID 67 (I): 0.558 0.176 -0.762 -1.343 -0.150 0.430 RESID 68 (E): 3.843 0.009 3.089 0.722 0.228 0.066 RESID 69 (K): 0.955 -0.070 2.030 1.491 0.532 0.694 RESID 70 (I): 2.863 0.018 2.560 -0.379 -1.773 -0.029 RESID 71 (N): 1.655 0.330 1.707 -0.182 1.303 1.059 RESID 72 (A): 0.537 0.196 1.686 0.247 -0.443 0.701 RESID 73 (G): 2.618 ----- -1.602 0.080 ----- 0.077 RESID 74 (F): 3.398 -0.240 -0.503 2.824 1.106 0.459 RESID 75 (K): -2.443 0.083 0.866 0.150 0.095 -0.695 RESID 76 (A): 1.679 0.033 1.678 -0.226 -0.435 0.400 RESID 77 (A): 4.574 -0.400 -0.603 1.129 -0.594 0.991 RESID 78 (L): 2.176 0.636 0.822 0.599 1.211 -0.038 RESID 79 (A): -0.098 0.055 1.665 0.015 -0.436 -0.729 RESID 80 (A): 2.176 -0.110 2.068 0.589 0.678 0.648 RESID 81 (A): -1.148 0.173 0.727 -0.457 0.221 1.112 RESID 82 (A): 1.728 -0.326 0.112 2.118 -1.485 0.469 RESID 83 (G): 19.873 ----- -1.135 -1.278 ----- -0.212 RESID 84 (V): -6.247 0.722 -0.260 -2.848 1.651 -0.358 RESID 85 (Q): -1.923 -0.223 ----- -2.412 -1.090 0.046 RESID 86 (P): ----- -0.074 ----- -0.501 0.240 ----- RESID 87 (A): -1.217 -0.081 -0.855 1.480 0.342 0.567 RESID 88 (D): -4.703 0.532 0.299 -1.320 2.578 -0.498 RESID 89 (K): 5.814 -0.695 -1.635 3.311 0.754 -0.006 RESID 90 (Y): -2.264 -0.306 -1.317 1.220 -1.816 1.582 RESID 91 (R): 0.032 -0.073 0.843 -0.336 -1.093 0.816 RESID 92 (T): 2.121 -0.184 -0.158 1.587 0.428 -0.610 RESID 93 (F): 2.972 -0.400 -0.123 1.059 1.045 1.486 RESID 94 (V): 0.100 -0.654 1.643 1.924 0.297 1.042 RESID 95 (A): 0.594 0.085 0.795 -0.201 -0.165 0.379 RESID 96 (T): 0.447 0.208 0.131 2.684 -2.087 -0.382 RESID 97 (F): 1.307 -0.374 0.255 1.434 0.922 1.204 RESID 98 (G): 0.410 ----- 0.672 0.236 ----- 1.045 RESID 99 (A): -1.807 0.093 1.085 0.241 -0.400 -0.787 RESID 100 (A): 0.517 0.247 1.577 -0.508 -0.681 1.571 RESID 101 (S): 3.394 0.203 0.371 7.448 4.563 0.077 RESID 102 (N): ----- -0.031 ----- -0.086 -0.545 ----- RESID 103 (K): -0.427 0.094 -0.638 -0.311 0.175 -0.054 RESID 104 (A): -0.859 -0.075 0.460 -0.591 -0.183 0.285 RESID 105 (F): -1.761 0.049 0.058 -0.140 0.028 -0.344 RESID 106 (A): 2.613 0.074 ----- -0.463 -0.057 -0.524 RESID 107 (E): -0.133 -0.226 -0.318 0.674 -0.048 0.234 RESID 108 (G): -0.141 ----- -1.035 -0.923 ----- -0.387 RESID 109 (L): 1.392 0.331 0.557 -0.933 0.135 0.640 RESID 110 (S): 4.844 0.178 0.857 0.401 1.161 -0.105 RESID 111 (G): 3.044 ----- -0.293 0.915 ----- 0.253 RESID 112 (E): -4.861 0.436 ----- -4.863 0.907 -0.231 RESID 113 (P): ----- 0.008 ----- 0.050 0.179 ----- RESID 114 (K): 5.248 0.230 1.822 -0.469 2.260 0.466 RESID 115 (G): 4.771 ----- -1.429 1.538 ----- 0.736 RESID 116 (A): -3.200 0.229 -1.064 -1.438 0.849 -0.324 RESID 117 (A): 0.851 0.022 -1.193 -0.768 1.173 -0.184 RESID 118 (E): 1.290 0.200 -0.953 -1.409 1.095 0.433 RESID 119 (S): 3.712 -0.077 -0.868 0.456 0.321 0.400 RESID 120 (S): -1.410 0.097 0.089 -1.693 0.248 0.305 RESID 121 (S): 1.770 0.006 0.143 -0.968 -0.337 0.268 RESID 122 (K): 2.842 -0.080 ----- 1.696 0.632 0.435 RESID 123 (A): 1.035 0.003 ----- -0.708 0.154 0.553 RESID 124 (A): 0.027 0.043 ----- -0.494 0.258 0.388 RESID 125 (L): 1.240 -0.038 -0.147 0.178 -0.497 0.584 RESID 126 (T): 0.279 -0.162 -0.418 1.460 -1.790 0.267 RESID 127 (S): -1.586 0.074 1.085 -1.164 -0.046 -0.888 RESID 128 (K): 0.911 0.005 1.308 0.718 0.368 0.180 RESID 129 (L): 1.871 -0.644 -2.955 0.221 0.107 0.423 RESID 130 (D): -3.081 -0.442 0.390 0.651 0.424 -0.255 RESID 131 (A): -2.977 -0.204 0.805 0.035 -0.720 -0.678 RESID 132 (A): 2.400 -0.023 0.478 -0.173 -0.005 -0.670 RESID 133 (Y): -0.867 0.062 2.773 -4.242 -2.468 1.059 RESID 134 (K): 1.659 0.145 -0.052 0.586 0.058 0.538 RESID 135 (L): 1.386 0.180 2.177 0.231 0.261 0.076 RESID 136 (A): 3.317 -0.247 -0.617 1.174 -0.851 0.062 RESID 137 (Y): -0.923 1.890 -0.480 2.219 1.125 0.556 RESID 138 (K): -0.629 0.421 1.360 -0.119 0.060 0.592 RESID 139 (T): 5.500 0.167 0.580 4.136 -1.718 0.760 RESID 140 (A): 0.369 -0.020 0.942 0.554 1.624 0.940 RESID 141 (E): 0.236 -0.187 -0.470 0.482 0.001 1.076 RESID 142 (G): -2.987 ----- -1.055 -0.492 ----- 0.061 RESID 143 (A): 0.653 0.112 0.328 -1.199 0.302 -0.159 RESID 144 (T): -3.096 0.121 -0.797 0.354 -2.074 0.028 RESID 145 (P): ----- -0.622 3.595 3.407 2.357 ----- RESID 146 (E): -3.684 -0.211 0.090 2.069 -3.163 0.780 RESID 147 (A): 2.433 0.077 0.492 -0.835 1.643 0.403 RESID 148 (K): -0.798 -0.484 -0.106 2.133 0.966 -0.509 RESID 149 (Y): -1.598 -0.328 -2.605 -0.126 -0.376 0.521 RESID 150 (D): -1.316 -0.536 0.372 -0.214 0.532 0.371 RESID 152 (Y): ----- -0.370 -0.775 3.175 0.989 ----- RESID 153 (V): -1.883 -0.282 0.638 0.420 0.572 -0.320 RESID 154 (A): 0.991 -0.088 -2.676 0.183 -0.251 -0.044 RESID 155 (T): -1.506 -0.189 0.308 0.246 -0.235 -0.320 RESID 156 (L): 1.363 -0.116 ----- -0.341 0.244 0.930 RESID 157 (S): -0.518 -0.164 0.893 0.827 -0.804 0.331 RESID 158 (E): -1.179 0.067 -0.643 -0.559 -0.134 -0.357 RESID 159 (A): -1.890 -0.023 1.037 0.122 0.210 -0.145 RESID 160 (L): -1.461 -0.162 0.015 0.587 -0.744 0.402 RESID 161 (R): 1.673 -0.150 1.189 0.959 0.262 -0.573 RESID 162 (I): 1.309 -0.181 2.368 0.414 -0.441 -0.101 RESID 163 (I): ----- -0.165 ----- 0.643 0.501 ----- RESID 164 (A): 1.412 -0.207 0.474 0.336 -0.025 0.757 RESID 165 (G): 0.026 ----- 0.275 0.566 ----- -0.056 RESID 166 (T): -1.984 0.043 -0.705 -0.397 0.375 0.126 RESID 167 (L): 0.582 0.103 -0.249 -1.695 0.169 -0.290 RESID 168 (E): 2.108 -0.217 0.362 0.593 -0.174 -0.290 RESID 169 (V): -1.535 -0.378 0.599 -5.816 ----- -0.205 RESID 170 (H): -3.959 -0.192 0.277 -1.883 -2.599 -0.155 RESID 171 (A): -2.128 -0.131 1.372 0.159 -0.691 0.471 RESID 172 (V): 1.143 -0.000 -0.380 -2.536 0.675 0.785 RESID 173 (K): 7.250 ----- -1.009 0.077 -0.040 0.482 RESID 174 (P): ----- 0.061 ----- -1.194 0.117 ----- RESID 175 (A): 6.418 -0.311 2.204 1.713 -1.263 0.923 RESID 176 (A): 0.574 -0.178 0.079 0.584 0.092 0.142 RESID 177 (E): -1.389 -0.096 -0.221 -0.047 -0.042 0.051 RESID 178 (E): -1.778 -0.045 0.017 0.032 0.414 -0.077 RESID 179 (V): -1.389 -0.119 -0.578 -0.211 0.358 -0.117 RESID 180 (K): -1.006 -0.080 0.101 0.172 -0.222 0.055 RESID 181 (V): 1.963 -0.065 -0.610 -0.856 0.807 -0.055 RESID 182 (I): -1.146 ----- -0.156 0.403 -0.338 -0.079 RESID 183 (P): ----- 0.001 0.983 -0.340 0.151 ----- RESID 184 (A): 7.993 -0.240 3.189 1.687 -2.011 1.047 RESID 185 (G): -0.124 ----- 1.226 0.913 ----- 0.459 RESID 186 (E): -0.013 0.350 0.941 -0.103 1.392 -0.247 RESID 187 (L): 1.139 -0.107 -0.792 -0.858 1.329 0.163 RESID 188 (Q): 1.168 0.094 -0.455 -0.768 0.592 -0.348 RESID 189 (V): -2.266 -0.067 0.573 0.675 0.323 0.259 RESID 190 (I): 0.893 -0.105 0.530 0.176 -1.043 0.672 RESID 191 (E): 0.077 0.132 0.169 0.136 0.370 0.261 RESID 192 (K): -0.594 0.143 -0.102 -1.035 -0.539 0.205 RESID 193 (V): 1.739 -0.124 -1.289 0.240 -0.058 0.838 RESID 194 (D): 2.183 -0.003 -0.306 0.716 1.468 0.681 RESID 195 (A): -2.035 -0.128 0.746 0.503 -0.528 0.375 RESID 196 (A): 0.333 -0.038 -0.519 0.179 1.153 -0.145 RESID 197 (F): 1.272 -0.389 -1.216 0.046 -0.251 1.189 RESID 198 (K): -1.160 -0.137 1.556 -0.410 -0.033 -0.265 RESID 199 (V): 1.747 -0.063 1.144 0.701 0.343 -0.303 RESID 200 (A): 4.025 -0.466 -0.350 0.360 0.712 0.662 RESID 201 (A): -0.938 -0.024 1.300 -0.229 -0.213 -0.338 RESID 202 (T): 1.618 0.150 -0.207 -4.731 -6.893 0.128 RESID 203 (A): 1.815 -0.117 2.089 0.602 -0.480 -0.123 RESID 204 (A): 2.625 0.103 0.692 1.891 -0.229 1.159 RESID 205 (N): -3.928 -0.174 -1.467 0.986 1.082 -0.129 RESID 206 (A): -2.790 0.120 -0.579 3.550 -0.640 -0.467 RESID 207 (A): 0.960 0.400 -1.955 -0.526 -0.054 0.008 RESID 208 (P): ----- 0.164 0.561 -1.265 0.969 ----- RESID 209 (A): 4.385 -0.070 2.410 2.456 2.172 0.380 RESID 210 (N): -3.763 -0.144 1.695 1.047 -0.370 0.383 RESID 211 (D): 2.153 0.314 1.348 0.518 1.193 0.313 RESID 212 (K): -2.273 -0.967 0.611 5.223 -0.583 -1.372 RESID 213 (F): -6.915 -0.220 0.827 0.566 0.407 -0.312 RESID 214 (T): -0.523 ----- 1.546 -1.532 0.315 -0.517 RESID 215 (V): 2.225 0.006 0.624 0.092 -0.033 0.564 RESID 216 (F): -1.850 -0.183 -0.147 0.787 0.322 1.128 RESID 217 (E): -2.228 -0.179 -1.098 2.496 0.444 -0.432 RESID 218 (A): -3.417 -0.001 0.846 0.324 -0.291 0.052 RESID 219 (A): -2.143 0.078 0.854 -0.078 0.432 0.047 RESID 220 (F): 2.085 0.331 0.219 -2.902 1.383 0.406 RESID 221 (N): 0.724 -0.125 ----- 0.613 -0.588 0.785 RESID 222 (D): -0.813 -0.205 1.023 0.990 -0.353 0.007 RESID 223 (A): -0.215 0.189 ----- -0.227 -0.001 0.152 RESID 224 (I): 5.222 -0.007 0.106 0.138 0.563 1.202 RESID 225 (K): 3.491 0.109 1.479 -0.137 0.074 0.949 RESID 226 (A): 0.299 -0.002 1.614 0.453 -0.490 -0.225 RESID 227 (S): -0.659 0.193 -0.264 -0.108 0.070 0.368 RESID 228 (T): -0.334 0.387 ----- -1.154 0.537 0.341 RESID 229 (G): 3.401 ----- 3.711 1.438 ----- 0.017 RESID 230 (G): -4.733 ----- 0.455 -0.685 ----- 0.898 RESID 231 (A): -0.624 -0.441 0.521 2.303 -0.572 -0.420 RESID 232 (Y): -0.681 0.275 0.308 -2.340 3.349 -0.842 RESID 233 (E): -0.525 -0.349 -3.197 -0.320 1.151 0.089 RESID 234 (S): -9.416 0.302 -0.104 -3.947 1.362 -1.319 RESID 235 (Y): -1.754 -0.672 -2.873 0.504 -1.014 0.212 RESID 236 (K): 3.032 -0.398 0.704 -0.029 0.265 -1.481 RESID 237 (F): -4.104 0.003 -2.077 -0.041 0.616 -0.954 RESID 238 (I): 0.486 0.642 ----- -2.211 1.700 -1.336 RESID 239 (P): ----- 0.041 2.029 2.845 0.225 ----- RESID 240 (A): -2.969 0.098 ----- 1.749 0.868 0.711 RESID 241 (L): -2.950 0.283 -0.973 -2.463 0.780 -0.086 RESID 242 (E): 2.185 -0.137 -0.267 0.753 -0.897 0.008 RESID 243 (A): -2.525 -0.258 0.440 0.694 -0.596 0.078 RESID 244 (A): -1.100 0.056 0.285 0.501 ----- -1.123 RESID 245 (V): 2.298 -0.236 -0.073 0.507 0.720 -0.119 RESID 246 (K): -0.363 0.191 1.718 1.304 -0.341 0.846 RESID 247 (Q): 1.313 -0.022 0.247 -0.173 -0.527 0.593 RESID 248 (A): 2.646 -0.072 0.089 -0.193 0.254 0.443 RESID 249 (Y): -0.086 -0.213 3.734 3.185 -0.225 0.502 RESID 250 (A): 3.786 -0.151 1.674 1.761 -0.870 1.042 RESID 251 (A): -1.206 -0.210 -0.714 1.627 -1.996 -0.493 RESID 252 (T): -8.237 0.648 0.412 -3.410 2.726 -0.277 RESID 253 (V): 0.825 0.108 -0.274 0.110 0.426 -1.006 RESID 254 (A): 3.086 -0.126 1.207 1.174 -0.010 0.974 RESID 255 (T): -1.499 -0.119 0.413 0.673 -1.932 -0.192 RESID 256 (A): 2.042 0.219 0.062 -0.188 -1.069 0.403 RESID 257 (P): ----- -0.333 2.954 2.895 2.362 ----- RESID 258 (E): -7.197 -0.215 1.239 2.357 -2.615 1.301 RESID 259 (V): -1.338 0.020 -0.567 -0.238 0.435 0.219 RESID 260 (K): -1.391 -0.091 -0.885 1.601 2.342 -1.198 RESID 261 (Y): 0.584 -0.617 -1.986 1.854 -0.756 1.086 RESID 262 (T): -0.790 0.147 0.828 1.723 -1.412 -0.224 RESID 263 (V): 2.253 -0.189 0.440 -0.392 0.534 -0.567 RESID 264 (F): 3.074 -0.233 -2.347 -0.885 0.715 0.512 RESID 265 (E): 2.070 -1.401 -0.979 0.559 0.828 0.568 RESID 266 (T): -3.391 -0.327 -0.504 0.038 -0.143 -0.699 RESID 267 (A): -0.023 -0.190 1.482 -0.299 -0.458 -0.792 RESID 268 (L): 2.646 -0.119 -1.723 -0.712 -5.047 1.055 RESID 269 (K): 0.479 -0.831 0.097 0.350 0.068 0.073 RESID 270 (K): -0.362 -0.219 0.016 0.707 0.151 0.028 RESID 271 (A): -0.169 0.033 1.014 -0.267 0.312 -0.373 RESID 272 (I): 2.025 0.051 0.251 0.161 -0.094 0.226 RESID 273 (T): 1.930 0.335 0.063 1.318 -1.117 0.165 RESID 274 (A): -2.239 0.100 1.194 -0.038 -0.528 -0.057 RESID 275 (M): 1.959 -0.135 -0.428 2.154 1.696 -0.178 RESID 276 (S): -1.402 -0.094 0.043 -0.526 -0.453 0.193 RESID 277 (E): -0.873 -0.001 -0.130 -0.626 -0.301 -0.167 RESID 278 (A): 0.276 0.076 -0.232 -0.825 0.199 -0.544 RESID 279 (Q): -1.500 0.076 0.069 -1.898 0.058 0.093 RESID 280 (K): 3.557 -0.239 -1.771 0.007 0.332 0.357 RESID 281 (A): 1.052 0.033 -0.038 -0.283 0.407 -0.230 RESID 282 (A): 2.232 0.119 0.672 -0.067 1.977 0.104 RESID 283 (K): 5.239 0.499 6.906 -2.054 0.903 -0.239 RESID 284 (P): ----- -0.182 -4.833 0.825 -0.225 ----- DATA CS_STAT_INFO N RMS: 2.940 ppm Count: 216 Average Difference: -0.347 +/- 2.926 ppm DATA CS_STAT_INFO HA RMS: 0.304 ppm Count: 233 Average Difference: 0.041 +/- 0.302 ppm DATA CS_STAT_INFO C RMS: 1.349 ppm Count: 211 Average Difference: -0.261 +/- 1.327 ppm DATA CS_STAT_INFO CA RMS: 1.548 ppm Count: 228 Average Difference: -0.215 +/- 1.536 ppm DATA CS_STAT_INFO CB RMS: 1.184 ppm Count: 214 Average Difference: -0.063 +/- 1.185 ppm DATA CS_STAT_INFO HN RMS: 0.599 ppm Count: 216 Average Difference: -0.166 +/- 0.577 ppm ############################################################################ For conformer 9: Atom Original Corrected SPARTA Difference RESID 56 (A): N 123.960 123.960 123.617 0.343 RESID 56 (A): HA 4.219 4.219 4.315 -0.096 RESID 56 (A): C 177.886 177.886 178.804 -0.918 RESID 56 (A): CA 52.782 52.782 51.825 0.957 RESID 56 (A): CB 19.246 19.246 20.410 -1.165 RESID 56 (A): H 8.814 8.814 8.110 0.704 RESID 57 (G): N 108.854 108.854 108.738 0.116 RESID 57 (G): C 173.751 173.751 174.990 -1.239 RESID 57 (G): CA 45.130 45.130 44.963 0.167 RESID 57 (G): H 8.524 8.524 8.358 0.166 RESID 58 (K): N 120.911 120.911 118.915 1.996 RESID 58 (K): HA 4.301 4.301 4.018 0.283 RESID 58 (K): C 176.244 176.244 175.520 0.724 RESID 58 (K): CA 55.941 55.941 55.997 -0.056 RESID 58 (K): CB 33.552 33.552 31.885 1.667 RESID 58 (K): H 8.206 8.206 8.113 0.093 RESID 59 (A): N 126.086 126.086 122.820 3.266 RESID 59 (A): HA 4.354 4.354 4.272 0.082 RESID 59 (A): C 177.815 177.815 176.901 0.914 RESID 59 (A): CA 52.346 52.346 53.419 -1.073 RESID 59 (A): CB 19.479 19.479 19.356 0.123 RESID 59 (A): H 8.518 8.518 8.366 0.152 RESID 60 (T): N 114.453 114.453 109.003 5.450 RESID 60 (T): HA 4.434 4.434 4.474 -0.040 RESID 60 (T): C 175.282 175.282 173.412 1.870 RESID 60 (T): CA 61.740 61.740 60.404 1.336 RESID 60 (T): CB 70.210 70.210 69.721 0.489 RESID 60 (T): H 8.402 8.402 7.539 0.863 RESID 61 (T): N 115.217 115.217 112.043 3.174 RESID 61 (T): HA 4.360 4.360 4.727 -0.367 RESID 61 (T): C 175.851 175.851 175.207 0.644 RESID 61 (T): CA 61.847 61.847 59.967 1.881 RESID 61 (T): CB 70.682 70.682 72.167 -1.485 RESID 61 (T): H 8.429 8.429 7.936 0.493 RESID 62 (E): N 120.843 120.843 123.132 -2.289 RESID 62 (E): HA 3.923 3.923 3.946 -0.023 RESID 62 (E): C 179.517 179.517 178.004 1.513 RESID 62 (E): CA 59.568 59.568 60.874 -1.306 RESID 62 (E): CB 29.223 29.223 29.085 0.138 RESID 62 (E): H 9.049 9.049 8.944 0.105 RESID 63 (E): N 119.900 119.900 120.030 -0.130 RESID 63 (E): HA 3.768 3.768 3.908 -0.140 RESID 63 (E): C 177.635 177.635 178.706 -1.071 RESID 63 (E): CA 60.882 60.882 59.762 1.120 RESID 63 (E): CB 29.410 29.410 29.246 0.164 RESID 63 (E): H 8.857 8.857 8.298 0.559 RESID 64 (Q): N 118.374 118.374 117.506 0.868 RESID 64 (Q): HA 3.821 3.821 4.004 -0.183 RESID 64 (Q): C 178.986 178.986 178.568 0.418 RESID 64 (Q): CA 58.831 58.831 58.255 0.576 RESID 64 (Q): CB 28.480 28.480 28.443 0.037 RESID 64 (Q): H 7.923 7.923 7.689 0.234 RESID 65 (K): N 119.234 119.234 119.091 0.143 RESID 65 (K): HA 3.940 3.940 4.122 -0.182 RESID 65 (K): C 178.993 178.993 179.570 -0.577 RESID 65 (K): CA 59.547 59.547 58.598 0.949 RESID 65 (K): CB 32.502 32.502 32.624 -0.123 RESID 65 (K): H 8.258 8.258 7.898 0.360 RESID 66 (L): N 120.500 120.500 122.301 -1.801 RESID 66 (L): HA 4.060 4.060 4.026 0.034 RESID 66 (L): C 178.729 178.729 178.229 0.500 RESID 66 (L): CA 58.217 58.217 57.633 0.584 RESID 66 (L): CB 41.328 41.328 42.218 -0.890 RESID 66 (L): H 7.786 7.786 8.402 -0.616 RESID 67 (I): N 118.533 118.533 117.274 1.259 RESID 67 (I): HA 3.817 3.817 3.672 0.145 RESID 67 (I): C 177.644 177.644 176.663 0.981 RESID 67 (I): CA 62.837 62.837 63.659 -0.822 RESID 67 (I): CB 36.617 36.617 37.873 -1.256 RESID 67 (I): H 8.049 8.049 8.458 -0.409 RESID 68 (E): N 121.332 121.332 116.951 4.381 RESID 68 (E): HA 4.117 4.117 4.252 -0.135 RESID 68 (E): C 181.037 181.037 177.652 3.385 RESID 68 (E): CA 59.800 59.800 57.937 1.863 RESID 68 (E): CB 29.330 29.330 29.621 -0.291 RESID 68 (E): H 8.178 8.178 7.681 0.497 RESID 69 (K): N 120.580 120.580 119.731 0.849 RESID 69 (K): HA 4.120 4.120 4.214 -0.094 RESID 69 (K): C 180.563 180.563 178.963 1.600 RESID 69 (K): CA 59.667 59.667 57.967 1.700 RESID 69 (K): CB 33.436 33.436 33.093 0.343 RESID 69 (K): H 7.921 7.921 7.731 0.190 RESID 70 (I): N 123.857 123.857 120.844 3.013 RESID 70 (I): HA 3.761 3.761 3.620 0.141 RESID 70 (I): C 178.582 178.582 175.912 2.670 RESID 70 (I): CA 63.442 63.442 63.376 0.066 RESID 70 (I): CB 36.146 36.146 37.806 -1.660 RESID 70 (I): H 8.533 8.533 8.438 0.095 RESID 71 (N): N 121.132 121.132 118.575 2.557 RESID 71 (N): HA 4.596 4.596 4.301 0.295 RESID 71 (N): C 178.680 178.680 177.395 1.285 RESID 71 (N): CA 56.116 56.116 56.595 -0.479 RESID 71 (N): CB 37.991 37.991 37.272 0.719 RESID 71 (N): H 9.041 9.041 7.834 1.207 RESID 72 (A): N 123.574 123.574 122.530 1.044 RESID 72 (A): HA 4.231 4.231 4.161 0.070 RESID 72 (A): C 181.206 181.206 179.709 1.497 RESID 72 (A): CA 55.491 55.491 55.041 0.450 RESID 72 (A): CB 17.697 17.697 18.226 -0.529 RESID 72 (A): H 8.361 8.361 7.781 0.580 RESID 73 (G): N 109.949 109.949 107.109 2.840 RESID 73 (G): C 175.146 175.146 176.678 -1.532 RESID 73 (G): CA 47.137 47.137 46.926 0.211 RESID 73 (G): H 8.429 8.429 7.582 0.847 RESID 74 (F): N 124.896 124.896 121.274 3.622 RESID 74 (F): HA 4.079 4.079 4.376 -0.297 RESID 74 (F): C 177.084 177.084 177.562 -0.478 RESID 74 (F): CA 62.295 62.295 58.647 3.648 RESID 74 (F): CB 39.696 39.696 38.496 1.200 RESID 74 (F): H 9.000 9.000 8.553 0.447 RESID 75 (K): N 118.457 118.457 121.125 -2.668 RESID 75 (K): HA 4.009 4.009 3.964 0.045 RESID 75 (K): C 179.824 179.824 178.904 0.920 RESID 75 (K): CA 60.011 60.011 59.832 0.179 RESID 75 (K): CB 32.450 32.450 32.268 0.182 RESID 75 (K): H 8.165 8.165 8.863 -0.698 RESID 76 (A): N 122.983 122.983 120.621 2.362 RESID 76 (A): HA 4.127 4.127 4.123 0.004 RESID 76 (A): C 180.654 180.654 179.447 1.207 RESID 76 (A): CA 54.723 54.723 54.929 -0.206 RESID 76 (A): CB 17.580 17.580 18.062 -0.482 RESID 76 (A): H 8.429 8.429 7.853 0.576 RESID 77 (A): N 124.931 124.931 121.046 3.885 RESID 77 (A): HA 3.765 3.765 4.146 -0.381 RESID 77 (A): C 178.922 178.922 179.503 -0.581 RESID 77 (A): CA 55.160 55.160 54.126 1.034 RESID 77 (A): CB 18.170 18.170 18.770 -0.601 RESID 77 (A): H 8.407 8.407 7.456 0.951 RESID 78 (L): N 121.008 121.008 118.867 2.141 RESID 78 (L): HA 4.180 4.180 3.769 0.411 RESID 78 (L): C 180.456 180.456 179.064 1.392 RESID 78 (L): CA 58.160 58.160 57.794 0.366 RESID 78 (L): CB 42.895 42.895 41.787 1.108 RESID 78 (L): H 8.412 8.412 8.544 -0.132 RESID 79 (A): N 121.505 121.505 120.008 1.497 RESID 79 (A): HA 4.133 4.133 4.109 0.024 RESID 79 (A): C 180.329 180.329 179.465 0.864 RESID 79 (A): CA 54.697 54.697 54.650 0.047 RESID 79 (A): CB 17.662 17.662 18.243 -0.581 RESID 79 (A): H 7.813 7.813 8.422 -0.609 RESID 80 (A): N 121.520 121.520 119.286 2.234 RESID 80 (A): HA 4.055 4.055 4.143 -0.088 RESID 80 (A): C 181.040 181.040 178.029 3.011 RESID 80 (A): CA 54.340 54.340 53.417 0.923 RESID 80 (A): CB 18.700 18.700 18.354 0.346 RESID 80 (A): H 8.278 8.278 7.423 0.855 RESID 81 (A): N 119.451 119.451 120.198 -0.747 RESID 81 (A): HA 4.179 4.179 4.007 0.172 RESID 81 (A): C 178.308 178.308 177.368 0.940 RESID 81 (A): CA 53.950 53.950 53.572 0.378 RESID 81 (A): CB 18.900 18.900 19.189 -0.289 RESID 81 (A): H 8.428 8.428 7.211 1.217 RESID 82 (A): N 119.868 119.868 119.442 0.426 RESID 82 (A): HA 4.018 4.018 4.528 -0.510 RESID 82 (A): C 178.696 178.696 176.998 1.698 RESID 82 (A): CA 54.290 54.290 50.972 3.318 RESID 82 (A): CB 18.200 18.200 20.698 -2.498 RESID 82 (A): H 7.860 7.860 7.288 0.572 RESID 83 (G): N 128.265 128.265 107.945 20.320 RESID 83 (G): C 174.104 174.104 174.413 -0.309 RESID 83 (G): CA 44.978 44.978 45.075 -0.097 RESID 83 (G): H 7.429 7.429 8.523 -1.094 RESID 84 (V): N 111.883 111.883 122.385 -10.502 RESID 84 (V): HA 4.801 4.801 4.144 0.657 RESID 84 (V): C 175.136 175.136 175.520 -0.384 RESID 84 (V): CA 58.875 58.875 61.641 -2.766 RESID 84 (V): CB 34.417 34.417 32.700 1.716 RESID 84 (V): H 7.052 7.052 7.964 -0.912 RESID 85 (Q): N 119.223 119.223 125.341 -6.118 RESID 85 (Q): HA 4.410 4.410 4.445 -0.035 RESID 85 (Q): CA 54.350 54.350 54.620 -0.270 RESID 85 (Q): CB 26.663 26.663 28.424 -1.761 RESID 85 (Q): H 8.687 8.687 8.467 0.220 RESID 86 (P): HA 4.345 4.345 4.042 0.303 RESID 86 (P): CA 62.130 62.130 64.222 -2.092 RESID 86 (P): CB 32.330 32.330 30.121 2.209 RESID 87 (A): N 118.968 118.968 127.691 -8.723 RESID 87 (A): HA 4.177 4.177 4.241 -0.064 RESID 87 (A): C 177.901 177.901 176.541 1.360 RESID 87 (A): CA 54.580 54.580 51.810 2.770 RESID 87 (A): CB 18.675 18.675 20.045 -1.370 RESID 87 (A): H 8.949 8.949 7.696 1.253 RESID 88 (D): N 114.859 114.859 117.042 -2.183 RESID 88 (D): HA 5.032 5.032 4.264 0.768 RESID 88 (D): C 177.564 177.564 177.203 0.361 RESID 88 (D): CA 54.500 54.500 56.930 -2.430 RESID 88 (D): CB 43.027 43.027 39.311 3.716 RESID 88 (D): H 8.201 8.201 8.945 -0.744 RESID 89 (K): N 124.691 124.691 119.156 5.535 RESID 89 (K): HA 3.367 3.367 3.946 -0.579 RESID 89 (K): C 177.108 177.108 178.055 -0.947 RESID 89 (K): CA 62.300 62.300 59.062 3.238 RESID 89 (K): CB 32.541 32.541 32.115 0.426 RESID 89 (K): H 7.553 7.553 8.505 -0.952 RESID 90 (Y): N 119.522 119.522 122.002 -2.480 RESID 90 (Y): HA 4.226 4.226 4.874 -0.648 RESID 90 (Y): C 175.856 175.856 177.098 -1.242 RESID 90 (Y): CA 62.070 62.070 59.683 2.387 RESID 90 (Y): CB 37.336 37.336 38.281 -0.945 RESID 90 (Y): H 9.244 9.244 8.081 1.163 RESID 91 (R): N 118.233 118.233 117.416 0.817 RESID 91 (R): HA 3.603 3.603 3.657 -0.054 RESID 91 (R): C 179.347 179.347 178.703 0.644 RESID 91 (R): CA 59.173 59.173 58.569 0.605 RESID 91 (R): CB 29.209 29.209 29.218 -0.009 RESID 91 (R): H 8.973 8.973 8.490 0.483 RESID 92 (T): N 116.043 116.043 117.007 -0.964 RESID 92 (T): HA 3.912 3.912 4.083 -0.171 RESID 92 (T): C 176.425 176.425 176.184 0.241 RESID 92 (T): CA 67.061 67.061 66.844 0.217 RESID 92 (T): CB 68.762 68.762 68.368 0.394 RESID 92 (T): H 7.949 7.949 8.532 -0.583 RESID 93 (F): N 125.587 125.587 121.484 4.103 RESID 93 (F): HA 3.764 3.764 4.076 -0.312 RESID 93 (F): C 177.008 177.008 177.814 -0.806 RESID 93 (F): CA 62.783 62.783 62.838 -0.055 RESID 93 (F): CB 39.771 39.771 38.223 1.548 RESID 93 (F): H 9.047 9.047 7.697 1.350 RESID 94 (V): N 118.057 118.057 118.338 -0.281 RESID 94 (V): HA 3.285 3.285 3.729 -0.444 RESID 94 (V): C 179.641 179.641 178.247 1.394 RESID 94 (V): CA 67.046 67.046 66.189 0.856 RESID 94 (V): CB 31.890 31.890 31.699 0.191 RESID 94 (V): H 8.540 8.540 7.981 0.559 RESID 95 (A): N 121.659 121.659 121.601 0.058 RESID 95 (A): HA 4.076 4.076 4.014 0.062 RESID 95 (A): C 180.431 180.431 179.529 0.902 RESID 95 (A): CA 55.002 55.002 55.239 -0.237 RESID 95 (A): CB 18.135 18.135 18.329 -0.194 RESID 95 (A): H 8.056 8.056 7.801 0.255 RESID 96 (T): N 115.396 115.396 114.757 0.639 RESID 96 (T): HA 4.197 4.197 4.255 -0.058 RESID 96 (T): C 176.605 176.605 176.033 0.572 RESID 96 (T): CA 68.450 68.450 65.925 2.525 RESID 96 (T): CB 66.738 66.738 69.191 -2.453 RESID 96 (T): H 7.904 7.904 8.522 -0.618 RESID 97 (F): N 123.502 123.502 122.943 0.559 RESID 97 (F): HA 3.628 3.628 4.141 -0.513 RESID 97 (F): C 177.130 177.130 176.938 0.192 RESID 97 (F): CA 61.883 61.883 60.793 1.090 RESID 97 (F): CB 39.300 39.300 38.799 0.501 RESID 97 (F): H 9.024 9.024 8.620 0.404 RESID 98 (G): N 107.348 107.348 106.480 0.868 RESID 98 (G): C 175.718 175.718 175.058 0.660 RESID 98 (G): CA 46.926 46.926 47.066 -0.140 RESID 98 (G): H 8.476 8.476 8.165 0.311 RESID 99 (A): N 122.344 122.344 124.193 -1.849 RESID 99 (A): HA 4.130 4.130 4.078 0.052 RESID 99 (A): C 180.299 180.299 179.195 1.104 RESID 99 (A): CA 54.856 54.856 54.469 0.387 RESID 99 (A): CB 17.755 17.755 18.183 -0.428 RESID 99 (A): H 7.404 7.404 7.471 -0.067 RESID 100 (A): N 121.274 121.274 120.923 0.351 RESID 100 (A): HA 4.207 4.207 3.880 0.327 RESID 100 (A): C 181.140 181.140 179.442 1.698 RESID 100 (A): CA 54.496 54.496 54.958 -0.462 RESID 100 (A): CB 17.543 17.543 18.127 -0.584 RESID 100 (A): H 9.009 9.009 7.529 1.480 RESID 101 (S): N 116.676 116.676 113.495 3.181 RESID 101 (S): HA 4.202 4.202 3.900 0.302 RESID 101 (S): C 176.687 176.687 176.284 0.403 RESID 101 (S): CA 68.500 68.500 61.365 7.135 RESID 101 (S): CB 67.022 67.022 62.419 4.603 RESID 101 (S): H 7.861 7.861 7.672 0.189 RESID 102 (N): HA 4.281 4.281 4.277 0.004 RESID 102 (N): CA 55.960 55.960 56.060 -0.100 RESID 102 (N): CB 37.701 37.701 38.460 -0.759 RESID 103 (K): N 120.130 120.130 120.489 -0.359 RESID 103 (K): HA 4.009 4.009 3.919 0.090 RESID 103 (K): C 177.809 177.809 178.528 -0.719 RESID 103 (K): CA 59.437 59.437 59.725 -0.288 RESID 103 (K): CB 32.638 32.638 32.471 0.167 RESID 103 (K): H 7.716 7.716 8.029 -0.313 RESID 104 (A): N 121.097 121.097 121.867 -0.770 RESID 104 (A): HA 3.994 3.994 4.124 -0.130 RESID 104 (A): C 180.119 180.119 180.083 0.036 RESID 104 (A): CA 54.666 54.666 55.123 -0.457 RESID 104 (A): CB 18.369 18.369 18.283 0.086 RESID 104 (A): H 7.762 7.762 7.629 0.133 RESID 105 (F): N 116.920 116.920 118.413 -1.493 RESID 105 (F): HA 4.231 4.231 4.186 0.045 RESID 105 (F): C 177.950 177.950 177.738 0.212 RESID 105 (F): CA 59.775 59.775 59.950 -0.175 RESID 105 (F): CB 38.380 38.380 38.355 0.025 RESID 105 (F): H 8.508 8.508 8.871 -0.363 RESID 106 (A): N 121.978 121.978 119.360 2.618 RESID 106 (A): HA 4.180 4.180 4.145 0.035 RESID 106 (A): CA 54.164 54.164 54.026 0.138 RESID 106 (A): CB 18.482 18.482 18.776 -0.294 RESID 106 (A): H 7.885 7.885 8.278 -0.393 RESID 107 (E): N 118.006 118.006 118.143 -0.137 RESID 107 (E): HA 4.125 4.125 4.294 -0.169 RESID 107 (E): C 177.933 177.933 178.045 -0.112 RESID 107 (E): CA 57.663 57.663 57.489 0.174 RESID 107 (E): CB 30.205 30.205 30.242 -0.038 RESID 107 (E): H 7.991 7.991 7.858 0.133 RESID 108 (G): N 108.097 108.097 107.945 0.152 RESID 108 (G): C 174.327 174.327 175.438 -1.111 RESID 108 (G): CA 45.675 45.675 46.225 -0.550 RESID 108 (G): H 8.106 8.106 8.141 -0.035 RESID 109 (L): N 121.291 121.291 121.790 -0.499 RESID 109 (L): HA 4.338 4.338 4.210 0.128 RESID 109 (L): C 177.737 177.737 176.135 1.602 RESID 109 (L): CA 55.404 55.404 54.609 0.794 RESID 109 (L): CB 42.279 42.279 42.425 -0.146 RESID 109 (L): H 7.965 7.965 7.486 0.479 RESID 110 (S): N 115.953 115.953 118.086 -2.133 RESID 110 (S): HA 4.350 4.350 4.434 -0.084 RESID 110 (S): C 175.049 175.049 175.784 -0.735 RESID 110 (S): CA 58.898 58.898 57.975 0.923 RESID 110 (S): CB 63.724 63.724 63.932 -0.208 RESID 110 (S): H 8.243 8.243 7.964 0.279 RESID 111 (G): N 110.568 110.568 107.488 3.080 RESID 111 (G): C 173.855 173.855 173.880 -0.025 RESID 111 (G): CA 45.127 45.127 45.480 -0.353 RESID 111 (G): H 8.392 8.392 8.890 -0.498 RESID 112 (E): N 121.380 121.380 120.340 1.040 RESID 112 (E): HA 4.538 4.538 4.568 -0.030 RESID 112 (E): CA 54.191 54.191 53.511 0.680 RESID 112 (E): CB 29.390 29.390 30.765 -1.375 RESID 112 (E): H 8.060 8.060 7.592 0.468 RESID 113 (P): HA 4.349 4.349 4.656 -0.307 RESID 113 (P): CA 63.375 63.375 62.513 0.862 RESID 113 (P): CB 32.052 32.052 32.837 -0.785 RESID 114 (K): N 121.571 121.571 121.902 -0.331 RESID 114 (K): HA 4.246 4.246 4.090 0.156 RESID 114 (K): C 177.324 177.324 176.879 0.445 RESID 114 (K): CA 56.277 56.277 57.905 -1.628 RESID 114 (K): CB 32.803 32.803 32.778 0.025 RESID 114 (K): H 8.536 8.536 8.599 -0.063 RESID 115 (G): N 110.197 110.197 104.991 5.206 RESID 115 (G): C 174.102 174.102 173.780 0.322 RESID 115 (G): CA 45.232 45.232 44.559 0.673 RESID 115 (G): H 8.490 8.490 7.586 0.904 RESID 116 (A): N 123.966 123.966 123.222 0.744 RESID 116 (A): HA 4.210 4.210 4.110 0.100 RESID 116 (A): C 178.191 178.191 179.685 -1.494 RESID 116 (A): CA 53.081 53.081 54.168 -1.087 RESID 116 (A): CB 19.458 19.458 18.735 0.723 RESID 116 (A): H 8.205 8.205 8.420 -0.215 RESID 117 (A): N 122.628 122.628 121.154 1.474 RESID 117 (A): HA 4.199 4.199 4.117 0.082 RESID 117 (A): C 178.499 178.499 179.924 -1.425 RESID 117 (A): CA 53.146 53.146 54.523 -1.377 RESID 117 (A): CB 19.106 19.106 18.314 0.792 RESID 117 (A): H 8.429 8.429 8.290 0.139 RESID 118 (E): N 119.797 119.797 119.043 0.754 RESID 118 (E): HA 4.199 4.199 4.038 0.161 RESID 118 (E): C 177.223 177.223 178.026 -0.803 RESID 118 (E): CA 57.387 57.387 58.658 -1.271 RESID 118 (E): CB 30.168 30.168 29.242 0.925 RESID 118 (E): H 8.451 8.451 7.985 0.466 RESID 119 (S): N 116.850 116.850 114.562 2.288 RESID 119 (S): HA 4.397 4.397 4.353 0.044 RESID 119 (S): C 175.564 175.564 175.473 0.091 RESID 119 (S): CA 58.914 58.914 59.132 -0.218 RESID 119 (S): CB 63.487 63.487 62.808 0.679 RESID 119 (S): H 8.432 8.432 7.701 0.731 RESID 120 (S): N 118.812 118.812 117.984 0.828 RESID 120 (S): HA 4.330 4.330 4.244 0.086 RESID 120 (S): C 176.421 176.421 176.263 0.158 RESID 120 (S): CA 59.906 59.906 61.328 -1.422 RESID 120 (S): CB 63.110 63.110 63.146 -0.036 RESID 120 (S): H 8.559 8.559 7.927 0.632 RESID 121 (S): N 118.669 118.669 118.157 0.512 RESID 121 (S): HA 4.288 4.288 4.284 0.004 RESID 121 (S): C 176.593 176.593 176.563 0.030 RESID 121 (S): CA 60.439 60.439 61.104 -0.665 RESID 121 (S): CB 62.780 62.780 63.203 -0.423 RESID 121 (S): H 8.462 8.462 7.905 0.557 RESID 122 (K): N 123.978 123.978 121.322 2.656 RESID 122 (K): HA 4.060 4.060 4.066 -0.006 RESID 122 (K): CA 59.263 59.263 58.595 0.668 RESID 122 (K): CB 32.296 32.296 32.054 0.242 RESID 122 (K): H 8.212 8.212 7.606 0.606 RESID 123 (A): N 123.450 123.450 122.281 1.169 RESID 123 (A): HA 4.136 4.136 4.112 0.024 RESID 123 (A): CA 54.330 54.330 54.891 -0.561 RESID 123 (A): CB 18.320 18.320 18.209 0.111 RESID 123 (A): H 8.209 8.209 7.479 0.730 RESID 124 (A): N 121.680 121.680 121.619 0.061 RESID 124 (A): HA 4.105 4.105 4.045 0.060 RESID 124 (A): CA 54.550 54.550 55.056 -0.506 RESID 124 (A): CB 18.260 18.260 17.979 0.281 RESID 124 (A): H 8.093 8.093 7.682 0.411 RESID 125 (L): N 120.426 120.426 119.222 1.204 RESID 125 (L): HA 4.072 4.072 4.085 -0.013 RESID 125 (L): C 178.680 178.680 178.747 -0.067 RESID 125 (L): CA 57.920 57.920 57.688 0.232 RESID 125 (L): CB 41.254 41.254 41.500 -0.246 RESID 125 (L): H 8.091 8.091 7.442 0.649 RESID 126 (T): N 112.939 112.939 113.058 -0.119 RESID 126 (T): HA 4.045 4.045 4.140 -0.095 RESID 126 (T): C 176.662 176.662 177.161 -0.499 RESID 126 (T): CA 68.000 68.000 66.708 1.292 RESID 126 (T): CB 66.703 66.703 68.062 -1.359 RESID 126 (T): H 8.439 8.439 7.979 0.460 RESID 127 (S): N 116.674 116.674 118.303 -1.629 RESID 127 (S): HA 4.230 4.230 4.153 0.077 RESID 127 (S): C 177.500 177.500 176.758 0.742 RESID 127 (S): CA 61.651 61.651 62.619 -0.968 RESID 127 (S): CB 62.770 62.770 62.956 -0.186 RESID 127 (S): H 7.830 7.830 8.691 -0.861 RESID 128 (K): N 122.748 122.748 122.123 0.625 RESID 128 (K): HA 4.178 4.178 4.187 -0.009 RESID 128 (K): C 180.027 180.027 178.865 1.162 RESID 128 (K): CA 59.720 59.720 58.775 0.945 RESID 128 (K): CB 32.811 32.811 32.392 0.419 RESID 128 (K): H 7.837 7.837 7.885 -0.048 RESID 129 (L): N 122.100 122.100 119.805 2.295 RESID 129 (L): HA 3.680 3.680 4.403 -0.723 RESID 129 (L): C 176.494 176.494 179.363 -2.869 RESID 129 (L): CA 57.837 57.837 57.116 0.721 RESID 129 (L): CB 41.142 41.142 41.181 -0.040 RESID 129 (L): H 8.389 8.389 8.205 0.184 RESID 130 (D): N 117.732 117.732 121.250 -3.518 RESID 130 (D): HA 4.104 4.104 4.571 -0.467 RESID 130 (D): C 178.771 178.771 178.256 0.515 RESID 130 (D): CA 57.828 57.828 57.595 0.233 RESID 130 (D): CB 41.591 41.591 41.289 0.302 RESID 130 (D): H 8.237 8.237 8.770 -0.533 RESID 131 (A): N 119.043 119.043 121.741 -2.698 RESID 131 (A): HA 4.031 4.031 4.199 -0.168 RESID 131 (A): C 180.501 180.501 179.699 0.802 RESID 131 (A): CA 55.080 55.080 55.205 -0.124 RESID 131 (A): CB 17.836 17.836 18.426 -0.590 RESID 131 (A): H 7.701 7.701 8.356 -0.655 RESID 132 (A): N 123.553 123.553 121.308 2.245 RESID 132 (A): HA 4.097 4.097 4.009 0.088 RESID 132 (A): C 179.369 179.369 178.882 0.487 RESID 132 (A): CA 54.773 54.773 55.110 -0.337 RESID 132 (A): CB 18.260 18.260 18.554 -0.294 RESID 132 (A): H 7.862 7.862 8.109 -0.247 RESID 133 (Y): N 119.392 119.392 120.409 -1.017 RESID 133 (Y): HA 4.127 4.127 4.056 0.071 RESID 133 (Y): C 180.484 180.484 177.788 2.696 RESID 133 (Y): CA 57.910 57.910 62.185 -4.276 RESID 133 (Y): CB 35.838 35.838 38.471 -2.633 RESID 133 (Y): H 8.847 8.847 7.843 1.004 RESID 134 (K): N 121.044 121.044 119.304 1.740 RESID 134 (K): HA 4.212 4.212 4.081 0.131 RESID 134 (K): C 178.998 178.998 179.146 -0.148 RESID 134 (K): CA 59.861 59.861 58.262 1.599 RESID 134 (K): CB 32.553 32.553 32.157 0.396 RESID 134 (K): H 8.298 8.298 7.888 0.410 RESID 135 (L): N 122.293 122.293 121.028 1.265 RESID 135 (L): HA 4.201 4.201 4.057 0.144 RESID 135 (L): C 180.381 180.381 178.170 2.211 RESID 135 (L): CA 57.871 57.871 57.624 0.247 RESID 135 (L): CB 41.852 41.852 41.451 0.401 RESID 135 (L): H 8.207 8.207 8.204 0.003 RESID 136 (A): N 124.897 124.897 121.607 3.290 RESID 136 (A): HA 3.736 3.736 4.004 -0.268 RESID 136 (A): C 178.374 178.374 179.464 -1.090 RESID 136 (A): CA 56.103 56.103 55.017 1.086 RESID 136 (A): CB 17.563 17.563 18.183 -0.620 RESID 136 (A): H 8.614 8.614 8.514 0.100 RESID 137 (Y): N 118.204 118.204 119.582 -1.378 RESID 137 (Y): HA 4.334 4.334 2.885 1.449 RESID 137 (Y): C 177.390 177.390 177.686 -0.296 RESID 137 (Y): CA 62.357 62.357 60.211 2.146 RESID 137 (Y): CB 38.728 38.728 37.846 0.882 RESID 137 (Y): H 8.320 8.320 7.651 0.669 RESID 138 (K): N 119.255 119.255 119.693 -0.438 RESID 138 (K): HA 3.897 3.897 3.650 0.247 RESID 138 (K): C 179.695 179.695 178.792 0.903 RESID 138 (K): CA 59.242 59.242 59.398 -0.156 RESID 138 (K): CB 32.309 32.309 32.249 0.060 RESID 138 (K): H 8.722 8.722 8.185 0.537 RESID 139 (T): N 116.244 116.244 114.073 2.171 RESID 139 (T): HA 4.120 4.120 3.973 0.147 RESID 139 (T): C 176.563 176.563 175.267 1.296 RESID 139 (T): CA 68.750 68.750 65.324 3.426 RESID 139 (T): CB 66.863 66.863 68.494 -1.631 RESID 139 (T): H 8.368 8.368 8.064 0.304 RESID 140 (A): N 124.310 124.310 121.935 2.375 RESID 140 (A): HA 3.884 3.884 3.892 -0.008 RESID 140 (A): C 179.123 179.123 178.383 0.740 RESID 140 (A): CA 54.887 54.887 54.021 0.866 RESID 140 (A): CB 19.489 19.489 18.529 0.960 RESID 140 (A): H 8.207 8.207 7.228 0.979 RESID 141 (E): N 117.572 117.572 117.767 -0.195 RESID 141 (E): HA 3.696 3.696 3.908 -0.212 RESID 141 (E): C 177.623 177.623 178.161 -0.538 RESID 141 (E): CA 58.472 58.472 57.824 0.648 RESID 141 (E): CB 29.633 29.633 29.782 -0.149 RESID 141 (E): H 8.324 8.324 7.541 0.783 RESID 142 (G): N 103.520 103.520 107.165 -3.645 RESID 142 (G): C 173.480 173.480 172.647 0.833 RESID 142 (G): CA 44.841 44.841 44.263 0.578 RESID 142 (G): H 7.333 7.333 7.449 -0.116 RESID 143 (A): N 124.154 124.154 124.658 -0.504 RESID 143 (A): HA 4.475 4.475 4.717 -0.242 RESID 143 (A): C 177.290 177.290 176.068 1.222 RESID 143 (A): CA 50.615 50.615 51.404 -0.789 RESID 143 (A): CB 19.859 19.859 20.381 -0.523 RESID 143 (A): H 7.339 7.339 7.459 -0.120 RESID 144 (T): N 112.353 112.353 115.732 -3.379 RESID 144 (T): HA 4.431 4.431 4.825 -0.394 RESID 144 (T): C 174.105 174.105 172.903 1.202 RESID 144 (T): CA 60.634 60.634 58.561 2.073 RESID 144 (T): CB 67.394 67.394 69.046 -1.652 RESID 144 (T): H 8.116 8.116 8.225 -0.109 RESID 145 (P): HA 3.914 3.914 4.208 -0.294 RESID 145 (P): C 179.300 179.300 177.965 1.335 RESID 145 (P): CA 66.875 66.875 63.347 3.528 RESID 145 (P): CB 32.327 32.327 32.061 0.266 RESID 146 (E): N 116.397 116.397 117.747 -1.350 RESID 146 (E): HA 4.178 4.178 3.933 0.245 RESID 146 (E): C 176.426 176.426 175.622 0.804 RESID 146 (E): CA 58.746 58.746 58.595 0.151 RESID 146 (E): CB 28.347 28.347 29.093 -0.746 RESID 146 (E): H 9.340 9.340 8.985 0.355 RESID 147 (A): N 123.484 123.484 120.663 2.821 RESID 147 (A): HA 4.678 4.678 4.571 0.107 RESID 147 (A): C 177.808 177.808 177.719 0.089 RESID 147 (A): CA 52.028 52.028 51.845 0.183 RESID 147 (A): CB 20.943 20.943 18.941 2.002 RESID 147 (A): H 7.984 7.984 8.033 -0.049 RESID 148 (K): N 120.663 120.663 120.257 0.406 RESID 148 (K): HA 3.465 3.465 4.139 -0.674 RESID 148 (K): C 177.165 177.165 178.004 -0.839 RESID 148 (K): CA 61.675 61.675 59.133 2.542 RESID 148 (K): CB 33.075 33.075 32.594 0.481 RESID 148 (K): H 7.285 7.285 8.245 -0.960 RESID 149 (Y): N 118.061 118.061 118.751 -0.690 RESID 149 (Y): HA 4.059 4.059 4.319 -0.260 RESID 149 (Y): C 175.368 175.368 178.115 -2.747 RESID 149 (Y): CA 62.206 62.206 61.597 0.609 RESID 149 (Y): CB 37.386 37.386 38.090 -0.704 RESID 149 (Y): H 8.793 8.793 8.397 0.396 RESID 150 (D): N 118.180 118.180 119.197 -1.017 RESID 150 (D): HA 3.820 3.820 4.333 -0.513 RESID 150 (D): C 178.927 178.927 178.238 0.689 RESID 150 (D): CA 57.373 57.373 57.908 -0.535 RESID 150 (D): CB 40.511 40.511 40.003 0.508 RESID 150 (D): H 8.442 8.442 8.775 -0.333 RESID 152 (Y): HA 3.803 3.803 4.028 -0.225 RESID 152 (Y): C 176.950 176.950 177.395 -0.445 RESID 152 (Y): CA 62.480 62.480 59.907 2.573 RESID 152 (Y): CB 39.180 39.180 37.828 1.352 RESID 153 (V): N 116.500 116.500 118.956 -2.456 RESID 153 (V): HA 2.980 2.980 3.096 -0.116 RESID 153 (V): C 178.920 178.920 177.998 0.922 RESID 153 (V): CA 66.800 66.800 65.819 0.981 RESID 153 (V): CB 31.730 31.730 31.026 0.704 RESID 153 (V): H 8.126 8.126 8.077 0.049 RESID 154 (A): N 122.151 122.151 121.498 0.653 RESID 154 (A): HA 3.981 3.981 4.031 -0.050 RESID 154 (A): C 176.909 176.909 179.667 -2.758 RESID 154 (A): CA 55.037 55.037 55.092 -0.055 RESID 154 (A): CB 18.243 18.243 18.277 -0.035 RESID 154 (A): H 8.363 8.363 8.305 0.058 RESID 155 (T): N 114.478 114.478 116.472 -1.994 RESID 155 (T): HA 3.807 3.807 3.945 -0.138 RESID 155 (T): C 176.582 176.582 176.328 0.254 RESID 155 (T): CA 66.731 66.731 66.869 -0.138 RESID 155 (T): CB 68.550 68.550 68.846 -0.296 RESID 155 (T): H 7.590 7.590 8.206 -0.616 RESID 156 (L): N 122.590 122.590 122.549 0.041 RESID 156 (L): HA 3.873 3.873 4.052 -0.179 RESID 156 (L): CA 57.829 57.829 58.006 -0.177 RESID 156 (L): CB 42.149 42.149 41.561 0.588 RESID 156 (L): H 8.449 8.449 7.484 0.965 RESID 157 (S): N 112.486 112.486 114.245 -1.759 RESID 157 (S): HA 3.873 3.873 3.988 -0.115 RESID 157 (S): C 177.485 177.485 176.753 0.732 RESID 157 (S): CA 62.556 62.556 61.840 0.716 RESID 157 (S): CB 61.390 61.390 62.382 -0.992 RESID 157 (S): H 8.705 8.705 7.962 0.743 RESID 158 (E): N 121.019 121.019 122.622 -1.603 RESID 158 (E): HA 4.124 4.124 4.084 0.040 RESID 158 (E): C 177.558 177.558 178.180 -0.622 RESID 158 (E): CA 58.615 58.615 59.208 -0.593 RESID 158 (E): CB 29.232 29.232 28.976 0.257 RESID 158 (E): H 7.408 7.408 7.874 -0.466 RESID 159 (A): N 120.731 120.731 121.607 -0.876 RESID 159 (A): HA 4.121 4.121 4.221 -0.100 RESID 159 (A): C 181.006 181.006 180.123 0.883 RESID 159 (A): CA 55.181 55.181 54.840 0.341 RESID 159 (A): CB 18.546 18.546 18.233 0.313 RESID 159 (A): H 7.803 7.803 7.416 0.387 RESID 160 (L): N 116.637 116.637 119.683 -3.046 RESID 160 (L): HA 3.901 3.901 4.185 -0.284 RESID 160 (L): C 179.216 179.216 178.620 0.596 RESID 160 (L): CA 57.843 57.843 57.539 0.304 RESID 160 (L): CB 41.050 41.050 41.930 -0.880 RESID 160 (L): H 8.670 8.670 8.794 -0.124 RESID 161 (R): N 121.986 121.986 119.489 2.497 RESID 161 (R): HA 3.908 3.908 4.085 -0.177 RESID 161 (R): C 179.790 179.790 178.912 0.878 RESID 161 (R): CA 59.657 59.657 59.323 0.334 RESID 161 (R): CB 29.935 29.935 30.272 -0.337 RESID 161 (R): H 7.914 7.914 8.546 -0.632 RESID 162 (I): N 120.810 120.810 120.638 0.172 RESID 162 (I): HA 3.683 3.683 3.792 -0.109 RESID 162 (I): C 179.685 179.685 177.138 2.547 RESID 162 (I): CA 64.321 64.321 64.190 0.131 RESID 162 (I): CB 37.832 37.832 38.078 -0.246 RESID 162 (I): H 7.895 7.895 8.184 -0.289 RESID 163 (I): HA 3.560 3.560 3.755 -0.195 RESID 163 (I): CA 65.367 65.367 64.774 0.593 RESID 163 (I): CB 38.510 38.510 37.865 0.645 RESID 164 (A): N 121.450 121.450 120.961 0.489 RESID 164 (A): HA 3.938 3.938 4.060 -0.122 RESID 164 (A): C 179.920 179.920 178.886 1.034 RESID 164 (A): CA 55.090 55.090 54.429 0.661 RESID 164 (A): CB 18.170 18.170 18.296 -0.126 RESID 164 (A): H 8.525 8.525 7.528 0.997 RESID 165 (G): N 104.876 104.876 105.194 -0.318 RESID 165 (G): C 175.831 175.831 175.637 0.194 RESID 165 (G): CA 46.602 46.602 45.941 0.661 RESID 165 (G): H 7.921 7.921 7.586 0.335 RESID 166 (T): N 111.734 111.734 114.721 -2.987 RESID 166 (T): HA 4.306 4.306 4.248 0.058 RESID 166 (T): C 175.095 175.095 175.803 -0.708 RESID 166 (T): CA 63.000 63.000 63.246 -0.246 RESID 166 (T): CB 69.795 69.795 69.614 0.181 RESID 166 (T): H 7.786 7.786 7.532 0.254 RESID 167 (L): N 121.291 121.291 123.092 -1.801 RESID 167 (L): HA 4.262 4.262 4.125 0.137 RESID 167 (L): C 177.004 177.004 176.464 0.540 RESID 167 (L): CA 55.040 55.040 54.899 0.141 RESID 167 (L): CB 42.292 42.292 42.502 -0.210 RESID 167 (L): H 7.456 7.456 7.590 -0.134 RESID 168 (E): N 119.686 119.686 122.818 -3.132 RESID 168 (E): HA 4.151 4.151 4.301 -0.150 RESID 168 (E): C 176.001 176.001 175.665 0.336 RESID 168 (E): CA 56.210 56.210 55.987 0.223 RESID 168 (E): CB 30.242 30.242 30.501 -0.259 RESID 168 (E): H 7.840 7.840 8.183 -0.343 RESID 169 (V): N 120.922 120.922 114.201 6.721 RESID 169 (V): HA 3.979 3.979 4.181 -0.202 RESID 169 (V): C 175.876 175.876 174.880 0.996 RESID 169 (V): CA 56.270 56.270 62.551 -6.281 RESID 169 (V): H 8.060 8.060 8.155 -0.095 RESID 170 (H): N 122.829 122.829 123.537 -0.708 RESID 170 (H): HA 4.626 4.626 4.849 -0.223 RESID 170 (H): C 174.023 174.023 174.144 -0.121 RESID 170 (H): CA 55.025 55.025 56.044 -1.019 RESID 170 (H): CB 29.661 29.661 28.083 1.578 RESID 170 (H): H 8.560 8.560 8.202 0.358 RESID 171 (A): N 125.857 125.857 126.000 -0.143 RESID 171 (A): HA 4.206 4.206 4.413 -0.207 RESID 171 (A): C 177.398 177.398 176.057 1.341 RESID 171 (A): CA 52.300 52.300 52.803 -0.503 RESID 171 (A): CB 18.300 18.300 20.410 -2.110 RESID 171 (A): H 8.393 8.393 8.245 0.148 RESID 172 (V): N 120.329 120.329 121.151 -0.822 RESID 172 (V): HA 4.011 4.011 4.171 -0.160 RESID 172 (V): C 175.833 175.833 176.252 -0.419 RESID 172 (V): CA 61.923 61.923 61.517 0.406 RESID 172 (V): CB 32.550 32.550 31.096 1.454 RESID 172 (V): H 8.238 8.238 7.990 0.248 RESID 173 (K): N 127.029 127.029 126.146 0.883 RESID 173 (K): C 174.205 174.205 174.536 -0.331 RESID 173 (K): CA 54.059 54.059 56.182 -2.123 RESID 173 (K): CB 32.437 32.437 31.567 0.870 RESID 173 (K): H 8.442 8.442 8.629 -0.187 RESID 174 (P): HA 4.322 4.322 4.553 -0.231 RESID 174 (P): CA 63.140 63.140 62.840 0.300 RESID 174 (P): CB 32.320 32.320 32.199 0.121 RESID 175 (A): N 125.330 125.330 127.416 -2.086 RESID 175 (A): HA 4.189 4.189 4.259 -0.070 RESID 175 (A): C 178.296 178.296 177.810 0.486 RESID 175 (A): CA 53.043 53.043 52.922 0.121 RESID 175 (A): CB 19.376 19.376 18.673 0.703 RESID 175 (A): H 8.430 8.430 8.480 -0.050 RESID 176 (A): N 123.143 123.143 122.568 0.575 RESID 176 (A): HA 4.204 4.204 4.331 -0.127 RESID 176 (A): C 177.718 177.718 176.631 1.087 RESID 176 (A): CA 52.432 52.432 51.932 0.499 RESID 176 (A): CB 19.500 19.500 19.265 0.235 RESID 176 (A): H 8.326 8.326 7.588 0.738 RESID 177 (E): N 119.752 119.752 120.598 -0.846 RESID 177 (E): HA 4.142 4.142 4.101 0.041 RESID 177 (E): C 176.350 176.350 175.322 1.028 RESID 177 (E): CA 56.302 56.302 56.784 -0.482 RESID 177 (E): CB 30.333 30.333 29.575 0.759 RESID 177 (E): H 8.354 8.354 8.366 -0.012 RESID 178 (E): N 122.557 122.557 122.818 -0.261 RESID 178 (E): HA 4.193 4.193 4.165 0.028 RESID 178 (E): C 176.260 176.260 177.663 -1.403 RESID 178 (E): CA 56.307 56.307 56.438 -0.131 RESID 178 (E): CB 30.542 30.542 30.255 0.287 RESID 178 (E): H 8.395 8.395 8.378 0.017 RESID 179 (V): N 122.787 122.787 119.678 3.109 RESID 179 (V): HA 3.983 3.983 3.944 0.039 RESID 179 (V): C 175.871 175.871 176.443 -0.572 RESID 179 (V): CA 62.225 62.225 64.349 -2.124 RESID 179 (V): CB 32.459 32.459 31.895 0.564 RESID 179 (V): H 8.232 8.232 8.434 -0.202 RESID 180 (K): N 126.356 126.356 118.325 8.031 RESID 180 (K): HA 4.315 4.315 4.455 -0.140 RESID 180 (K): C 176.090 176.090 175.151 0.939 RESID 180 (K): CA 55.880 55.880 54.559 1.321 RESID 180 (K): CB 33.000 33.000 34.163 -1.163 RESID 180 (K): H 8.427 8.427 7.494 0.933 RESID 181 (V): N 122.752 122.752 121.441 1.311 RESID 181 (V): HA 4.043 4.043 3.913 0.130 RESID 181 (V): C 175.754 175.754 174.903 0.851 RESID 181 (V): CA 61.803 61.803 63.448 -1.645 RESID 181 (V): CB 33.155 33.155 32.691 0.464 RESID 181 (V): H 8.244 8.244 8.380 -0.136 RESID 182 (I): N 127.826 127.826 125.968 1.858 RESID 182 (I): C 174.257 174.257 174.165 0.092 RESID 182 (I): CA 58.244 58.244 58.172 0.072 RESID 182 (I): CB 38.555 38.555 38.721 -0.167 RESID 182 (I): H 8.388 8.388 8.382 0.006 RESID 183 (P): HA 4.330 4.330 4.536 -0.206 RESID 183 (P): C 176.700 176.700 175.909 0.791 RESID 183 (P): CA 63.230 63.230 63.670 -0.440 RESID 183 (P): CB 32.380 32.380 32.477 -0.097 RESID 184 (A): N 124.690 124.690 122.376 2.314 RESID 184 (A): HA 4.193 4.193 4.520 -0.327 RESID 184 (A): C 178.758 178.758 176.638 2.120 RESID 184 (A): CA 53.320 53.320 51.744 1.576 RESID 184 (A): CB 19.340 19.340 19.638 -0.298 RESID 184 (A): H 8.485 8.485 7.899 0.586 RESID 185 (G): N 107.324 107.324 107.257 0.067 RESID 185 (G): C 174.758 174.758 174.667 0.091 RESID 185 (G): CA 45.717 45.717 44.635 1.083 RESID 185 (G): H 8.527 8.527 7.776 0.751 RESID 186 (E): N 120.410 120.410 119.234 1.176 RESID 186 (E): HA 4.170 4.170 3.995 0.175 RESID 186 (E): C 177.470 177.470 177.830 -0.360 RESID 186 (E): CA 57.890 57.890 58.718 -0.828 RESID 186 (E): CB 30.180 30.180 28.155 2.025 RESID 186 (E): H 8.262 8.262 9.023 -0.761 RESID 187 (L): N 121.652 121.652 120.643 1.009 RESID 187 (L): HA 4.140 4.140 4.159 -0.019 RESID 187 (L): C 178.002 178.002 178.712 -0.710 RESID 187 (L): CA 56.458 56.458 57.576 -1.118 RESID 187 (L): CB 42.056 42.056 41.736 0.320 RESID 187 (L): H 8.247 8.247 7.934 0.312 RESID 188 (Q): N 119.063 119.063 118.993 0.070 RESID 188 (Q): HA 4.205 4.205 4.009 0.196 RESID 188 (Q): C 177.544 177.544 178.125 -0.581 RESID 188 (Q): CA 57.584 57.584 59.020 -1.436 RESID 188 (Q): CB 28.421 28.421 28.166 0.255 RESID 188 (Q): H 8.377 8.377 8.727 -0.350 RESID 189 (V): N 118.808 118.808 120.833 -2.025 RESID 189 (V): HA 3.680 3.680 3.734 -0.054 RESID 189 (V): C 177.439 177.439 176.814 0.625 RESID 189 (V): CA 65.376 65.376 65.030 0.346 RESID 189 (V): CB 31.970 31.970 31.560 0.410 RESID 189 (V): H 7.872 7.872 7.591 0.281 RESID 190 (I): N 120.522 120.522 120.018 0.504 RESID 190 (I): HA 3.694 3.694 3.700 -0.006 RESID 190 (I): C 177.364 177.364 177.934 -0.570 RESID 190 (I): CA 63.323 63.323 64.155 -0.832 RESID 190 (I): CB 36.643 36.643 36.856 -0.213 RESID 190 (I): H 8.119 8.119 8.187 -0.068 RESID 191 (E): N 120.185 120.185 119.906 0.279 RESID 191 (E): HA 4.141 4.141 3.881 0.260 RESID 191 (E): C 179.310 179.310 178.878 0.432 RESID 191 (E): CA 59.756 59.756 60.156 -0.400 RESID 191 (E): CB 29.276 29.276 29.184 0.092 RESID 191 (E): H 8.175 8.175 8.824 -0.649 RESID 192 (K): N 118.771 118.771 120.215 -1.444 RESID 192 (K): HA 4.211 4.211 4.110 0.101 RESID 192 (K): C 178.933 178.933 178.848 0.085 RESID 192 (K): CA 58.020 58.020 59.036 -1.016 RESID 192 (K): CB 31.710 31.710 32.277 -0.567 RESID 192 (K): H 7.720 7.720 7.631 0.089 RESID 193 (V): N 121.979 121.979 120.098 1.881 RESID 193 (V): HA 3.537 3.537 3.563 -0.026 RESID 193 (V): C 176.912 176.912 178.062 -1.150 RESID 193 (V): CA 66.974 66.974 66.761 0.213 RESID 193 (V): CB 31.451 31.451 31.741 -0.291 RESID 193 (V): H 8.336 8.336 7.911 0.425 RESID 194 (D): N 121.596 121.596 119.314 2.282 RESID 194 (D): HA 4.396 4.396 4.393 0.003 RESID 194 (D): C 178.097 178.097 178.217 -0.120 RESID 194 (D): CA 57.899 57.899 57.160 0.739 RESID 194 (D): CB 41.740 41.740 40.765 0.975 RESID 194 (D): H 8.588 8.588 8.047 0.541 RESID 195 (A): N 119.998 119.998 121.923 -1.925 RESID 195 (A): HA 4.101 4.101 4.150 -0.049 RESID 195 (A): C 180.638 180.638 180.031 0.607 RESID 195 (A): CA 55.393 55.393 54.993 0.400 RESID 195 (A): CB 17.915 17.915 18.389 -0.474 RESID 195 (A): H 7.834 7.834 7.575 0.259 RESID 196 (A): N 121.520 121.520 121.038 0.482 RESID 196 (A): HA 4.043 4.043 4.100 -0.057 RESID 196 (A): C 178.986 178.986 179.523 -0.537 RESID 196 (A): CA 54.730 54.730 54.515 0.215 RESID 196 (A): CB 19.220 19.220 18.126 1.094 RESID 196 (A): H 8.198 8.198 8.399 -0.201 RESID 197 (F): N 120.035 120.035 118.759 1.276 RESID 197 (F): HA 3.861 3.861 4.266 -0.405 RESID 197 (F): C 176.055 176.055 177.180 -1.125 RESID 197 (F): CA 61.833 61.833 61.370 0.463 RESID 197 (F): CB 39.090 39.090 39.337 -0.247 RESID 197 (F): H 9.092 9.092 7.820 1.272 RESID 198 (K): N 118.265 118.265 119.379 -1.114 RESID 198 (K): HA 3.815 3.815 3.935 -0.120 RESID 198 (K): C 180.112 180.112 178.467 1.645 RESID 198 (K): CA 59.826 59.826 60.192 -0.366 RESID 198 (K): CB 32.347 32.347 32.381 -0.034 RESID 198 (K): H 7.863 7.863 8.017 -0.154 RESID 199 (V): N 119.799 119.799 118.062 1.737 RESID 199 (V): HA 3.623 3.623 3.682 -0.059 RESID 199 (V): C 178.666 178.666 177.511 1.155 RESID 199 (V): CA 66.074 66.074 65.282 0.792 RESID 199 (V): CB 31.831 31.831 31.460 0.371 RESID 199 (V): H 7.580 7.580 7.992 -0.412 RESID 200 (A): N 125.339 125.339 121.102 4.237 RESID 200 (A): HA 3.635 3.635 4.131 -0.496 RESID 200 (A): C 178.388 178.388 178.688 -0.300 RESID 200 (A): CA 54.843 54.843 54.274 0.569 RESID 200 (A): CB 18.830 18.830 18.254 0.576 RESID 200 (A): H 8.166 8.166 7.553 0.613 RESID 201 (A): N 120.805 120.805 121.629 -0.824 RESID 201 (A): HA 4.000 4.000 4.051 -0.051 RESID 201 (A): C 180.740 180.740 179.563 1.177 RESID 201 (A): CA 54.550 54.550 54.904 -0.354 RESID 201 (A): CB 18.124 18.124 18.273 -0.149 RESID 201 (A): H 7.386 7.386 7.947 -0.561 RESID 202 (T): N 114.816 114.816 113.094 1.722 RESID 202 (T): HA 4.200 4.200 4.071 0.129 RESID 202 (T): C 175.840 175.840 176.791 -0.951 RESID 202 (T): CA 60.920 60.920 65.426 -4.506 RESID 202 (T): CB 62.070 62.070 69.030 -6.960 RESID 202 (T): H 8.322 8.322 8.103 0.219 RESID 203 (A): N 124.550 124.550 123.330 1.220 RESID 203 (A): HA 3.989 3.989 4.071 -0.082 RESID 203 (A): C 180.575 180.575 178.479 2.096 RESID 203 (A): CA 55.042 55.042 54.465 0.577 RESID 203 (A): CB 17.675 17.675 18.052 -0.377 RESID 203 (A): H 7.592 7.592 7.827 -0.235 RESID 204 (A): N 121.361 121.361 118.685 2.676 RESID 204 (A): HA 4.187 4.187 4.132 0.055 RESID 204 (A): C 179.867 179.867 178.399 1.468 RESID 204 (A): CA 55.224 55.224 53.413 1.811 RESID 204 (A): CB 18.791 18.791 18.895 -0.104 RESID 204 (A): H 8.758 8.758 7.515 1.243 RESID 205 (N): N 115.185 115.185 117.849 -2.664 RESID 205 (N): HA 4.189 4.189 4.410 -0.221 RESID 205 (N): C 175.555 175.555 177.070 -1.515 RESID 205 (N): CA 56.410 56.410 55.449 0.961 RESID 205 (N): CB 39.066 39.066 38.340 0.726 RESID 205 (N): H 8.220 8.220 8.145 0.075 RESID 206 (A): N 117.946 117.946 121.244 -3.298 RESID 206 (A): HA 4.270 4.270 4.174 0.096 RESID 206 (A): C 176.827 176.827 177.464 -0.637 RESID 206 (A): CA 56.138 56.138 53.390 2.748 RESID 206 (A): CB 18.200 18.200 18.941 -0.741 RESID 206 (A): H 6.965 6.965 7.427 -0.462 RESID 207 (A): N 122.916 122.916 122.439 0.477 RESID 207 (A): HA 4.600 4.600 4.496 0.104 RESID 207 (A): C 174.478 174.478 175.256 -0.778 RESID 207 (A): CA 50.196 50.196 49.550 0.646 RESID 207 (A): CB 18.287 18.287 18.582 -0.295 RESID 207 (A): H 7.240 7.240 7.589 -0.349 RESID 208 (P): HA 4.373 4.373 4.383 -0.010 RESID 208 (P): C 177.440 177.440 177.447 -0.007 RESID 208 (P): CA 62.600 62.600 62.574 0.026 RESID 208 (P): CB 32.243 32.243 32.474 -0.231 RESID 209 (A): N 122.883 122.883 126.115 -3.232 RESID 209 (A): HA 3.726 3.726 3.730 -0.004 RESID 209 (A): C 179.474 179.474 178.001 1.473 RESID 209 (A): CA 56.155 56.155 54.050 2.105 RESID 209 (A): CB 19.099 19.099 18.606 0.493 RESID 209 (A): H 8.620 8.620 8.453 0.167 RESID 210 (N): N 113.093 113.093 117.695 -4.602 RESID 210 (N): HA 4.519 4.519 4.467 0.052 RESID 210 (N): C 176.000 176.000 175.470 0.530 RESID 210 (N): CA 55.226 55.226 55.071 0.155 RESID 210 (N): CB 38.057 38.057 38.087 -0.030 RESID 210 (N): H 8.933 8.933 8.389 0.544 RESID 211 (D): N 117.648 117.648 123.465 -5.817 RESID 211 (D): HA 5.050 5.050 4.818 0.232 RESID 211 (D): C 175.953 175.953 175.819 0.134 RESID 211 (D): CA 54.110 54.110 54.412 -0.302 RESID 211 (D): CB 42.936 42.936 40.196 2.740 RESID 211 (D): H 8.111 8.111 8.539 -0.428 RESID 212 (K): N 118.713 118.713 124.409 -5.696 RESID 212 (K): HA 3.324 3.324 4.277 -0.953 RESID 212 (K): C 177.524 177.524 177.152 0.372 RESID 212 (K): CA 61.984 61.984 57.263 4.721 RESID 212 (K): CB 32.789 32.789 33.547 -0.758 RESID 212 (K): H 7.145 7.145 8.630 -1.485 RESID 213 (F): N 113.700 113.700 119.981 -6.281 RESID 213 (F): HA 4.087 4.087 4.233 -0.146 RESID 213 (F): C 178.141 178.141 177.134 1.007 RESID 213 (F): CA 62.473 62.473 62.276 0.197 RESID 213 (F): CB 38.303 38.303 37.608 0.695 RESID 213 (F): H 8.026 8.026 8.643 -0.617 RESID 214 (T): N 115.378 115.378 114.909 0.469 RESID 214 (T): C 178.124 178.124 176.627 1.497 RESID 214 (T): CA 65.503 65.503 67.246 -1.742 RESID 214 (T): CB 68.803 68.803 68.466 0.337 RESID 214 (T): H 7.917 7.917 8.392 -0.475 RESID 215 (V): N 122.692 122.692 120.730 1.962 RESID 215 (V): HA 3.659 3.659 3.647 0.012 RESID 215 (V): C 177.771 177.771 177.303 0.468 RESID 215 (V): CA 66.361 66.361 65.981 0.380 RESID 215 (V): CB 31.360 31.360 31.644 -0.284 RESID 215 (V): H 8.430 8.430 7.590 0.840 RESID 216 (F): N 119.847 119.847 121.594 -1.747 RESID 216 (F): HA 3.799 3.799 4.006 -0.207 RESID 216 (F): C 176.989 176.989 177.150 -0.161 RESID 216 (F): CA 62.705 62.705 61.864 0.841 RESID 216 (F): CB 39.327 39.327 39.065 0.262 RESID 216 (F): H 8.651 8.651 7.597 1.054 RESID 217 (E): N 117.144 117.144 119.445 -2.301 RESID 217 (E): HA 3.863 3.863 4.065 -0.202 RESID 217 (E): C 177.894 177.894 179.082 -1.188 RESID 217 (E): CA 61.877 61.877 59.446 2.431 RESID 217 (E): CB 30.062 30.062 29.616 0.446 RESID 217 (E): H 8.650 8.650 9.150 -0.500 RESID 218 (A): N 119.130 119.130 122.886 -3.756 RESID 218 (A): HA 4.213 4.213 4.134 0.079 RESID 218 (A): C 180.238 180.238 179.271 0.967 RESID 218 (A): CA 55.118 55.118 54.954 0.164 RESID 218 (A): CB 18.020 18.020 18.382 -0.362 RESID 218 (A): H 7.759 7.759 7.767 -0.008 RESID 219 (A): N 119.419 119.419 121.577 -2.158 RESID 219 (A): HA 4.146 4.146 4.066 0.080 RESID 219 (A): C 180.499 180.499 179.543 0.956 RESID 219 (A): CA 54.530 54.530 54.644 -0.114 RESID 219 (A): CB 18.890 18.890 18.426 0.464 RESID 219 (A): H 8.475 8.475 8.201 0.274 RESID 220 (F): N 120.754 120.754 118.675 2.079 RESID 220 (F): HA 4.196 4.196 3.822 0.374 RESID 220 (F): C 177.427 177.427 177.115 0.312 RESID 220 (F): CA 58.832 58.832 61.562 -2.730 RESID 220 (F): CB 39.740 39.740 38.424 1.316 RESID 220 (F): H 9.026 9.026 8.607 0.419 RESID 221 (N): N 116.941 116.941 116.948 -0.007 RESID 221 (N): HA 4.390 4.390 4.452 -0.062 RESID 221 (N): CA 56.230 56.230 55.468 0.762 RESID 221 (N): CB 37.995 37.995 38.417 -0.422 RESID 221 (N): H 8.485 8.485 7.709 0.776 RESID 222 (D): N 119.493 119.493 120.905 -1.412 RESID 222 (D): HA 4.366 4.366 4.541 -0.175 RESID 222 (D): C 178.832 178.832 178.154 0.678 RESID 222 (D): CA 57.697 57.697 57.005 0.692 RESID 222 (D): CB 40.537 40.537 40.426 0.111 RESID 222 (D): H 8.283 8.283 8.235 0.048 RESID 223 (A): N 122.201 122.201 122.057 0.144 RESID 223 (A): HA 4.138 4.138 4.003 0.135 RESID 223 (A): CA 54.892 54.892 54.648 0.244 RESID 223 (A): CB 18.251 18.251 18.260 -0.009 RESID 223 (A): H 8.175 8.175 8.301 -0.126 RESID 224 (I): N 122.960 122.960 116.577 6.383 RESID 224 (I): HA 3.396 3.396 3.741 -0.345 RESID 224 (I): C 178.030 178.030 177.490 0.540 RESID 224 (I): CA 65.320 65.320 63.573 1.747 RESID 224 (I): CB 38.150 38.150 38.167 -0.017 RESID 224 (I): H 8.525 8.525 7.224 1.301 RESID 225 (K): N 124.150 124.150 121.232 2.918 RESID 225 (K): HA 4.130 4.130 3.855 0.275 RESID 225 (K): C 179.190 179.190 178.165 1.025 RESID 225 (K): CA 58.594 58.594 59.368 -0.774 RESID 225 (K): CB 32.489 32.489 32.583 -0.094 RESID 225 (K): H 8.457 8.457 7.663 0.794 RESID 226 (A): N 119.804 119.804 119.096 0.708 RESID 226 (A): HA 4.128 4.128 4.096 0.032 RESID 226 (A): C 181.843 181.843 180.272 1.571 RESID 226 (A): CA 55.012 55.012 54.801 0.211 RESID 226 (A): CB 18.473 18.473 18.281 0.192 RESID 226 (A): H 8.191 8.191 8.386 -0.195 RESID 227 (S): N 113.402 113.402 113.216 0.186 RESID 227 (S): HA 4.350 4.350 4.383 -0.033 RESID 227 (S): C 176.071 176.071 176.082 -0.011 RESID 227 (S): CA 61.259 61.259 60.812 0.447 RESID 227 (S): CB 63.414 63.414 63.728 -0.314 RESID 227 (S): H 8.568 8.568 8.111 0.457 RESID 228 (T): N 109.170 109.170 114.495 -5.325 RESID 228 (T): HA 4.605 4.605 4.542 0.063 RESID 228 (T): CA 61.453 61.453 60.508 0.945 RESID 228 (T): CB 69.732 69.732 67.735 1.997 RESID 228 (T): H 7.804 7.804 8.130 -0.326 RESID 229 (G): N 113.451 113.451 110.375 3.076 RESID 229 (G): C 178.132 178.132 174.954 3.178 RESID 229 (G): CA 47.149 47.149 46.162 0.987 RESID 229 (G): H 7.988 7.988 7.487 0.501 RESID 230 (G): N 105.298 105.298 108.064 -2.766 RESID 230 (G): C 173.856 173.856 173.087 0.769 RESID 230 (G): CA 44.492 44.492 44.325 0.167 RESID 230 (G): H 8.792 8.792 8.412 0.380 RESID 231 (A): N 122.893 122.893 126.353 -3.460 RESID 231 (A): HA 3.777 3.777 4.003 -0.226 RESID 231 (A): C 177.041 177.041 175.629 1.412 RESID 231 (A): CA 54.513 54.513 51.983 2.530 RESID 231 (A): CB 18.998 18.998 19.724 -0.726 RESID 231 (A): H 7.467 7.467 7.639 -0.172 RESID 232 (Y): N 112.629 112.629 120.516 -7.887 RESID 232 (Y): HA 4.396 4.396 4.766 -0.370 RESID 232 (Y): C 174.659 174.659 175.358 -0.699 RESID 232 (Y): CA 55.932 55.932 57.180 -1.248 RESID 232 (Y): CB 39.848 39.848 39.119 0.729 RESID 232 (Y): H 7.332 7.332 7.557 -0.225 RESID 233 (E): N 117.684 117.684 122.838 -5.154 RESID 233 (E): HA 3.790 3.790 4.046 -0.256 RESID 233 (E): C 174.348 174.348 176.360 -2.012 RESID 233 (E): CA 57.064 57.064 57.460 -0.396 RESID 233 (E): CB 30.734 30.734 29.747 0.987 RESID 233 (E): H 7.995 7.995 8.446 -0.451 RESID 234 (S): N 107.099 107.099 115.845 -8.746 RESID 234 (S): HA 4.495 4.495 4.477 0.018 RESID 234 (S): C 175.141 175.141 175.074 0.067 RESID 234 (S): CA 55.872 55.872 58.008 -2.136 RESID 234 (S): CB 64.988 64.988 63.885 1.103 RESID 234 (S): H 7.318 7.318 7.792 -0.474 RESID 235 (Y): N 119.162 119.162 123.758 -4.596 RESID 235 (Y): HA 4.093 4.093 4.502 -0.409 RESID 235 (Y): C 175.305 175.305 175.323 -0.018 RESID 235 (Y): CA 59.694 59.694 59.231 0.463 RESID 235 (Y): CB 37.650 37.650 39.065 -1.415 RESID 235 (Y): H 8.629 8.629 8.393 0.236 RESID 236 (K): N 118.163 118.163 116.675 1.488 RESID 236 (K): HA 3.573 3.573 3.895 -0.322 RESID 236 (K): C 176.427 176.427 175.274 1.153 RESID 236 (K): CA 58.000 58.000 57.440 0.560 RESID 236 (K): CB 31.520 31.520 30.134 1.386 RESID 236 (K): H 7.384 7.384 8.871 -1.487 RESID 237 (F): N 115.377 115.377 115.119 0.258 RESID 237 (F): HA 4.433 4.433 4.515 -0.082 RESID 237 (F): C 174.114 174.114 174.943 -0.829 RESID 237 (F): CA 57.852 57.852 56.782 1.070 RESID 237 (F): CB 39.745 39.745 39.302 0.443 RESID 237 (F): H 7.258 7.258 7.648 -0.390 RESID 238 (I): N 120.764 120.764 114.030 6.734 RESID 238 (I): HA 4.409 4.409 4.463 -0.054 RESID 238 (I): CA 58.300 58.300 57.877 0.423 RESID 238 (I): CB 38.600 38.600 39.227 -0.627 RESID 238 (I): H 7.389 7.389 7.114 0.275 RESID 239 (P): HA 4.306 4.306 4.226 0.080 RESID 239 (P): C 178.950 178.950 176.912 2.038 RESID 239 (P): CA 66.670 66.670 63.355 3.316 RESID 239 (P): CB 32.190 32.190 31.323 0.867 RESID 240 (A): N 118.854 118.854 124.428 -5.574 RESID 240 (A): HA 4.134 4.134 3.896 0.238 RESID 240 (A): CA 55.031 55.031 54.103 0.927 RESID 240 (A): CB 18.841 18.841 17.312 1.528 RESID 240 (A): H 9.101 9.101 8.701 0.400 RESID 241 (L): N 118.846 118.846 121.727 -2.881 RESID 241 (L): HA 4.250 4.250 3.916 0.334 RESID 241 (L): C 177.407 177.407 177.681 -0.274 RESID 241 (L): CA 56.333 56.333 57.652 -1.319 RESID 241 (L): CB 42.390 42.390 41.987 0.403 RESID 241 (L): H 7.731 7.731 7.581 0.150 RESID 242 (E): N 122.048 122.048 117.777 4.271 RESID 242 (E): HA 3.961 3.961 3.986 -0.025 RESID 242 (E): C 178.465 178.465 178.716 -0.251 RESID 242 (E): CA 60.820 60.820 59.283 1.537 RESID 242 (E): CB 28.886 28.886 28.905 -0.019 RESID 242 (E): H 8.705 8.705 7.882 0.823 RESID 243 (A): N 118.880 118.880 121.543 -2.663 RESID 243 (A): HA 4.038 4.038 4.205 -0.167 RESID 243 (A): C 179.841 179.841 179.342 0.499 RESID 243 (A): CA 54.930 54.930 54.359 0.571 RESID 243 (A): CB 17.700 17.700 18.073 -0.373 RESID 243 (A): H 8.105 8.105 7.553 0.552 RESID 244 (A): N 121.399 121.399 123.369 -1.970 RESID 244 (A): HA 4.037 4.037 3.946 0.091 RESID 244 (A): C 179.839 179.839 179.706 0.133 RESID 244 (A): CA 55.418 55.418 55.040 0.378 RESID 244 (A): H 7.491 7.491 8.081 -0.590 RESID 245 (V): N 120.239 120.239 118.208 2.031 RESID 245 (V): HA 3.382 3.382 3.634 -0.252 RESID 245 (V): C 177.909 177.909 178.359 -0.450 RESID 245 (V): CA 67.163 67.163 66.715 0.448 RESID 245 (V): CB 31.790 31.790 31.189 0.601 RESID 245 (V): H 8.612 8.612 7.701 0.911 RESID 246 (K): N 119.270 119.270 119.685 -0.415 RESID 246 (K): HA 4.165 4.165 4.029 0.136 RESID 246 (K): C 180.603 180.603 179.262 1.341 RESID 246 (K): CA 60.553 60.553 59.178 1.375 RESID 246 (K): CB 31.828 31.828 31.883 -0.055 RESID 246 (K): H 8.366 8.366 7.432 0.934 RESID 247 (Q): N 120.085 120.085 118.041 2.044 RESID 247 (Q): HA 4.055 4.055 4.179 -0.124 RESID 247 (Q): C 178.255 178.255 178.398 -0.143 RESID 247 (Q): CA 58.524 58.524 58.428 0.096 RESID 247 (Q): CB 28.234 28.234 28.992 -0.758 RESID 247 (Q): H 8.302 8.302 8.457 -0.155 RESID 248 (A): N 125.463 125.463 122.499 2.964 RESID 248 (A): HA 3.877 3.877 4.092 -0.215 RESID 248 (A): C 179.700 179.700 179.586 0.114 RESID 248 (A): CA 55.253 55.253 54.864 0.389 RESID 248 (A): CB 18.658 18.658 18.208 0.450 RESID 248 (A): H 8.194 8.194 8.114 0.080 RESID 249 (Y): N 116.381 116.381 117.501 -1.120 RESID 249 (Y): HA 4.300 4.300 4.428 -0.128 RESID 249 (Y): C 180.993 180.993 176.164 4.829 RESID 249 (Y): CA 63.361 63.361 60.615 2.745 RESID 249 (Y): CB 38.068 38.068 38.904 -0.836 RESID 249 (Y): H 8.686 8.686 8.581 0.105 RESID 250 (A): N 124.956 124.956 120.527 4.429 RESID 250 (A): HA 4.161 4.161 4.301 -0.140 RESID 250 (A): C 179.621 179.621 177.732 1.889 RESID 250 (A): CA 55.220 55.220 52.993 2.227 RESID 250 (A): CB 17.500 17.500 18.733 -1.233 RESID 250 (A): H 8.448 8.448 7.658 0.790 RESID 251 (A): N 119.409 119.409 119.870 -0.461 RESID 251 (A): HA 4.163 4.163 4.311 -0.148 RESID 251 (A): C 178.588 178.588 177.064 1.524 RESID 251 (A): CA 55.206 55.206 53.293 1.913 RESID 251 (A): CB 17.804 17.804 18.379 -0.575 RESID 251 (A): H 7.649 7.649 7.839 -0.190 RESID 252 (T): N 106.194 106.194 109.318 -3.124 RESID 252 (T): HA 4.392 4.392 4.226 0.166 RESID 252 (T): C 176.679 176.679 175.876 0.803 RESID 252 (T): CA 62.376 62.376 62.411 -0.035 RESID 252 (T): CB 70.838 70.838 69.754 1.084 RESID 252 (T): H 7.806 7.806 7.291 0.515 RESID 253 (V): N 121.805 121.805 122.190 -0.385 RESID 253 (V): HA 3.754 3.754 3.825 -0.071 RESID 253 (V): C 176.213 176.213 174.758 1.455 RESID 253 (V): CA 65.339 65.339 63.544 1.795 RESID 253 (V): CB 31.971 31.971 29.506 2.465 RESID 253 (V): H 7.173 7.173 8.377 -1.204 RESID 254 (A): N 122.834 122.834 125.958 -3.124 RESID 254 (A): HA 4.457 4.457 4.362 0.095 RESID 254 (A): C 177.007 177.007 176.002 1.005 RESID 254 (A): CA 51.859 51.859 52.309 -0.450 RESID 254 (A): CB 18.494 18.494 19.073 -0.579 RESID 254 (A): H 8.542 8.542 8.684 -0.142 RESID 255 (T): N 114.241 114.241 114.409 -0.168 RESID 255 (T): HA 4.222 4.222 4.519 -0.297 RESID 255 (T): C 173.687 173.687 174.043 -0.356 RESID 255 (T): CA 62.138 62.138 61.307 0.831 RESID 255 (T): CB 70.584 70.584 71.669 -1.085 RESID 255 (T): H 7.469 7.469 7.743 -0.274 RESID 256 (A): N 128.290 128.290 126.031 2.259 RESID 256 (A): HA 4.515 4.515 4.255 0.260 RESID 256 (A): C 176.782 176.782 176.123 0.659 RESID 256 (A): CA 51.165 51.165 51.739 -0.574 RESID 256 (A): CB 17.596 17.596 17.922 -0.326 RESID 256 (A): H 8.625 8.625 8.412 0.213 RESID 257 (P): HA 4.089 4.089 4.279 -0.190 RESID 257 (P): C 178.670 178.670 176.700 1.970 RESID 257 (P): CA 66.250 66.250 62.895 3.355 RESID 257 (P): CB 32.400 32.400 32.142 0.258 RESID 258 (E): N 115.538 115.538 117.286 -1.748 RESID 258 (E): HA 4.205 4.205 4.013 0.192 RESID 258 (E): C 177.484 177.484 176.831 0.653 RESID 258 (E): CA 59.489 59.489 57.365 2.124 RESID 258 (E): CB 28.896 28.896 29.150 -0.254 RESID 258 (E): H 9.711 9.711 8.726 0.985 RESID 259 (V): N 113.043 113.043 111.419 1.624 RESID 259 (V): HA 4.641 4.641 3.636 1.005 RESID 259 (V): C 175.536 175.536 177.083 -1.547 RESID 259 (V): CA 61.065 61.065 63.954 -2.889 RESID 259 (V): CB 32.652 32.652 30.663 1.989 RESID 259 (V): H 7.765 7.765 8.518 -0.753 RESID 260 (K): N 121.849 121.849 120.278 1.571 RESID 260 (K): HA 3.769 3.769 3.813 -0.044 RESID 260 (K): C 177.750 177.750 178.282 -0.532 RESID 260 (K): CA 61.507 61.507 59.681 1.826 RESID 260 (K): CB 34.189 34.189 31.880 2.309 RESID 260 (K): H 7.415 7.415 8.414 -0.999 RESID 261 (Y): N 117.222 117.222 116.829 0.393 RESID 261 (Y): HA 3.803 3.803 4.555 -0.752 RESID 261 (Y): C 176.020 176.020 177.748 -1.728 RESID 261 (Y): CA 62.761 62.761 61.437 1.324 RESID 261 (Y): CB 36.982 36.982 37.456 -0.474 RESID 261 (Y): H 8.942 8.942 7.886 1.056 RESID 262 (T): N 115.869 115.869 117.879 -2.010 RESID 262 (T): HA 4.136 4.136 3.984 0.152 RESID 262 (T): C 177.136 177.136 176.469 0.667 RESID 262 (T): CA 68.855 68.855 67.238 1.617 RESID 262 (T): CB 66.818 66.818 68.117 -1.299 RESID 262 (T): H 7.822 7.822 8.357 -0.535 RESID 263 (V): N 123.471 123.471 121.008 2.463 RESID 263 (V): HA 3.507 3.507 3.689 -0.182 RESID 263 (V): C 178.020 178.020 177.547 0.473 RESID 263 (V): CA 67.000 67.000 66.967 0.033 RESID 263 (V): CB 31.699 31.699 31.088 0.611 RESID 263 (V): H 8.051 8.051 8.220 -0.169 RESID 264 (F): N 123.178 123.178 121.232 1.946 RESID 264 (F): HA 3.812 3.812 4.035 -0.223 RESID 264 (F): C 175.217 175.217 177.272 -2.055 RESID 264 (F): CA 60.720 60.720 61.798 -1.078 RESID 264 (F): CB 39.637 39.637 38.990 0.647 RESID 264 (F): H 8.047 8.047 8.247 -0.200 RESID 265 (E): N 120.524 120.524 118.970 1.554 RESID 265 (E): HA 2.959 2.959 4.185 -1.226 RESID 265 (E): C 178.300 178.300 178.814 -0.514 RESID 265 (E): CA 59.854 59.854 59.722 0.132 RESID 265 (E): CB 30.318 30.318 29.974 0.345 RESID 265 (E): H 8.830 8.830 8.287 0.543 RESID 266 (T): N 114.371 114.371 117.167 -2.796 RESID 266 (T): HA 3.694 3.694 4.006 -0.312 RESID 266 (T): C 176.020 176.020 176.551 -0.531 RESID 266 (T): CA 66.645 66.645 66.531 0.114 RESID 266 (T): CB 68.704 68.704 68.499 0.205 RESID 266 (T): H 7.978 7.978 8.630 -0.652 RESID 267 (A): N 124.070 124.070 124.115 -0.045 RESID 267 (A): HA 3.899 3.899 4.088 -0.189 RESID 267 (A): C 180.615 180.615 179.297 1.318 RESID 267 (A): CA 54.950 54.950 55.134 -0.184 RESID 267 (A): CB 17.668 17.668 18.028 -0.360 RESID 267 (A): H 7.908 7.908 8.693 -0.785 RESID 268 (L): N 121.494 121.494 118.716 2.778 RESID 268 (L): HA 3.716 3.716 3.796 -0.080 RESID 268 (L): C 177.403 177.403 179.089 -1.686 RESID 268 (L): CA 57.095 57.095 57.949 -0.854 RESID 268 (L): CB 35.715 35.715 40.858 -5.143 RESID 268 (L): H 8.499 8.499 7.454 1.045 RESID 269 (K): N 118.900 118.900 118.847 0.053 RESID 269 (K): HA 2.946 2.946 3.718 -0.772 RESID 269 (K): C 179.440 179.440 179.091 0.349 RESID 269 (K): CA 59.500 59.500 59.784 -0.284 RESID 269 (K): CB 31.880 31.880 32.057 -0.177 RESID 269 (K): H 7.678 7.678 7.591 0.087 RESID 270 (K): N 118.900 118.900 119.201 -0.301 RESID 270 (K): HA 3.814 3.814 4.004 -0.190 RESID 270 (K): C 178.960 178.960 178.940 0.020 RESID 270 (K): CA 59.770 59.770 59.140 0.630 RESID 270 (K): CB 32.330 32.330 32.109 0.221 RESID 270 (K): H 7.678 7.678 7.945 -0.267 RESID 271 (A): N 122.628 122.628 122.362 0.266 RESID 271 (A): HA 4.078 4.078 4.089 -0.011 RESID 271 (A): C 180.707 180.707 179.967 0.740 RESID 271 (A): CA 54.835 54.835 55.044 -0.209 RESID 271 (A): CB 18.694 18.694 18.197 0.497 RESID 271 (A): H 7.699 7.699 8.195 -0.496 RESID 272 (I): N 120.190 120.190 118.490 1.700 RESID 272 (I): HA 3.616 3.616 3.600 0.016 RESID 272 (I): C 178.458 178.458 178.303 0.155 RESID 272 (I): CA 65.296 65.296 65.100 0.196 RESID 272 (I): CB 37.724 37.724 37.879 -0.155 RESID 272 (I): H 8.519 8.519 8.129 0.390 RESID 273 (T): N 118.748 118.748 116.802 1.946 RESID 273 (T): HA 4.227 4.227 3.857 0.370 RESID 273 (T): C 176.122 176.122 176.213 -0.091 RESID 273 (T): CA 68.686 68.686 67.098 1.588 RESID 273 (T): CB 67.031 67.031 68.639 -1.608 RESID 273 (T): H 8.329 8.329 8.274 0.055 RESID 274 (A): N 122.829 122.829 124.247 -1.418 RESID 274 (A): HA 4.120 4.120 4.020 0.100 RESID 274 (A): C 180.580 180.580 179.679 0.901 RESID 274 (A): CA 55.013 55.013 55.143 -0.130 RESID 274 (A): CB 17.770 17.770 18.209 -0.439 RESID 274 (A): H 7.841 7.841 8.117 -0.276 RESID 275 (M): N 118.352 118.352 115.246 3.106 RESID 275 (M): HA 4.082 4.082 4.198 -0.116 RESID 275 (M): C 178.226 178.226 177.693 0.533 RESID 275 (M): CA 59.240 59.240 57.783 1.457 RESID 275 (M): CB 33.624 33.624 32.633 0.991 RESID 275 (M): H 7.886 7.886 7.982 -0.096 RESID 276 (S): N 115.242 115.242 115.242 0.000 RESID 276 (S): HA 4.100 4.100 4.192 -0.092 RESID 276 (S): C 176.687 176.687 176.956 -0.269 RESID 276 (S): CA 60.920 60.920 61.626 -0.706 RESID 276 (S): CB 62.763 62.763 63.132 -0.369 RESID 276 (S): H 8.154 8.154 7.254 0.900 RESID 277 (E): N 120.950 120.950 121.305 -0.355 RESID 277 (E): HA 3.990 3.990 4.083 -0.093 RESID 277 (E): C 178.562 178.562 178.513 0.049 RESID 277 (E): CA 58.426 58.426 58.520 -0.094 RESID 277 (E): CB 29.510 29.510 29.212 0.298 RESID 277 (E): H 8.336 8.336 8.031 0.305 RESID 278 (A): N 121.655 121.655 121.638 0.017 RESID 278 (A): HA 4.137 4.137 4.038 0.099 RESID 278 (A): C 179.412 179.412 179.215 0.197 RESID 278 (A): CA 54.163 54.163 54.348 -0.185 RESID 278 (A): CB 18.234 18.234 18.012 0.222 RESID 278 (A): H 7.943 7.943 7.619 0.324 RESID 279 (Q): N 116.951 116.951 117.119 -0.168 RESID 279 (Q): HA 4.138 4.138 3.932 0.206 RESID 279 (Q): C 177.164 177.164 178.151 -0.987 RESID 279 (Q): CA 56.987 56.987 58.833 -1.846 RESID 279 (Q): CB 28.602 28.602 28.661 -0.059 RESID 279 (Q): H 7.791 7.791 7.658 0.133 RESID 280 (K): N 119.993 119.993 116.774 3.219 RESID 280 (K): HA 4.089 4.089 4.221 -0.132 RESID 280 (K): C 176.909 176.909 178.339 -1.430 RESID 280 (K): CA 57.700 57.700 58.357 -0.657 RESID 280 (K): CB 32.860 32.860 32.427 0.433 RESID 280 (K): H 7.863 7.863 7.719 0.144 RESID 281 (A): N 122.367 122.367 121.188 1.179 RESID 281 (A): HA 4.206 4.206 4.369 -0.163 RESID 281 (A): C 177.375 177.375 178.044 -0.669 RESID 281 (A): CA 52.474 52.474 52.673 -0.199 RESID 281 (A): CB 19.140 19.140 18.545 0.595 RESID 281 (A): H 7.841 7.841 7.352 0.489 RESID 282 (A): N 122.465 122.465 120.905 1.560 RESID 282 (A): HA 4.211 4.211 4.127 0.084 RESID 282 (A): C 177.333 177.333 178.041 -0.708 RESID 282 (A): CA 52.413 52.413 53.527 -1.114 RESID 282 (A): CB 19.016 19.016 18.939 0.077 RESID 282 (A): H 7.891 7.891 7.695 0.196 RESID 283 (K): N 121.934 121.934 119.738 2.196 RESID 283 (K): HA 4.560 4.560 4.316 0.244 RESID 283 (K): C 181.141 181.141 174.562 6.579 RESID 283 (K): CA 54.069 54.069 55.277 -1.208 RESID 283 (K): CB 32.644 32.644 31.993 0.651 RESID 283 (K): H 8.140 8.140 7.684 0.456 RESID 284 (P): HA 4.331 4.331 4.456 -0.125 RESID 284 (P): C 172.250 172.250 176.743 -4.493 RESID 284 (P): CA 63.500 63.500 62.681 0.819 RESID 284 (P): CB 32.160 32.160 32.173 -0.013 N HA C CA CB H RESID 57 (G): 0.116 ----- -1.239 0.167 ----- 0.166 RESID 58 (K): 1.996 0.283 0.724 -0.056 1.667 0.093 RESID 59 (A): 3.266 0.082 0.914 -1.073 0.123 0.152 RESID 60 (T): 5.450 -0.040 1.870 1.336 0.489 0.863 RESID 61 (T): 3.174 -0.367 0.644 1.881 -1.485 0.493 RESID 62 (E): -2.289 -0.023 1.513 -1.306 0.138 0.105 RESID 63 (E): -0.130 -0.140 -1.071 1.120 0.164 0.559 RESID 64 (Q): 0.868 -0.183 0.418 0.576 0.037 0.234 RESID 65 (K): 0.143 -0.182 -0.577 0.949 -0.123 0.360 RESID 66 (L): -1.801 0.034 0.500 0.584 -0.890 -0.616 RESID 67 (I): 1.259 0.145 0.981 -0.822 -1.256 -0.409 RESID 68 (E): 4.381 -0.135 3.385 1.863 -0.291 0.497 RESID 69 (K): 0.849 -0.094 1.600 1.700 0.343 0.190 RESID 70 (I): 3.013 0.141 2.670 0.066 -1.660 0.095 RESID 71 (N): 2.557 0.295 1.285 -0.479 0.719 1.207 RESID 72 (A): 1.044 0.070 1.497 0.450 -0.529 0.580 RESID 73 (G): 2.840 ----- -1.532 0.211 ----- 0.847 RESID 74 (F): 3.622 -0.297 -0.478 3.648 1.200 0.447 RESID 75 (K): -2.668 0.045 0.920 0.179 0.182 -0.698 RESID 76 (A): 2.362 0.004 1.207 -0.206 -0.482 0.576 RESID 77 (A): 3.885 -0.381 -0.581 1.034 -0.601 0.951 RESID 78 (L): 2.141 0.411 1.392 0.366 1.108 -0.132 RESID 79 (A): 1.497 0.024 0.864 0.047 -0.581 -0.609 RESID 80 (A): 2.234 -0.088 3.011 0.923 0.346 0.855 RESID 81 (A): -0.747 0.172 0.940 0.378 -0.289 1.217 RESID 82 (A): 0.426 -0.510 1.698 3.318 -2.498 0.572 RESID 83 (G): 20.320 ----- -0.309 -0.097 ----- -1.094 RESID 84 (V): -10.502 0.657 -0.384 -2.766 1.716 -0.912 RESID 85 (Q): -6.118 -0.035 ----- -0.270 -1.761 0.220 RESID 86 (P): ----- 0.303 ----- -2.092 2.209 ----- RESID 87 (A): -8.723 -0.064 1.360 2.770 -1.370 1.253 RESID 88 (D): -2.183 0.768 0.361 -2.430 3.716 -0.744 RESID 89 (K): 5.535 -0.579 -0.947 3.238 0.426 -0.952 RESID 90 (Y): -2.480 -0.648 -1.242 2.387 -0.945 1.163 RESID 91 (R): 0.817 -0.054 0.644 0.605 -0.009 0.483 RESID 92 (T): -0.964 -0.171 0.241 0.217 0.394 -0.583 RESID 93 (F): 4.103 -0.312 -0.806 -0.055 1.548 1.350 RESID 94 (V): -0.281 -0.444 1.394 0.856 0.191 0.559 RESID 95 (A): 0.058 0.062 0.902 -0.237 -0.194 0.255 RESID 96 (T): 0.639 -0.058 0.572 2.525 -2.453 -0.618 RESID 97 (F): 0.559 -0.513 0.192 1.090 0.501 0.404 RESID 98 (G): 0.868 ----- 0.660 -0.140 ----- 0.311 RESID 99 (A): -1.849 0.052 1.104 0.387 -0.428 -0.067 RESID 100 (A): 0.351 0.327 1.698 -0.462 -0.584 1.480 RESID 101 (S): 3.181 0.302 0.403 7.135 4.603 0.189 RESID 102 (N): ----- 0.004 ----- -0.100 -0.759 ----- RESID 103 (K): -0.359 0.090 -0.719 -0.288 0.167 -0.313 RESID 104 (A): -0.770 -0.130 0.036 -0.457 0.086 0.133 RESID 105 (F): -1.493 0.045 0.212 -0.175 0.025 -0.363 RESID 106 (A): 2.618 0.035 ----- 0.138 -0.294 -0.393 RESID 107 (E): -0.137 -0.169 -0.112 0.174 -0.038 0.133 RESID 108 (G): 0.152 ----- -1.111 -0.550 ----- -0.035 RESID 109 (L): -0.499 0.128 1.602 0.794 -0.146 0.479 RESID 110 (S): -2.133 -0.084 -0.735 0.923 -0.208 0.279 RESID 111 (G): 3.080 ----- -0.025 -0.353 ----- -0.498 RESID 112 (E): 1.040 -0.030 ----- 0.680 -1.375 0.468 RESID 113 (P): ----- -0.307 ----- 0.862 -0.785 ----- RESID 114 (K): -0.331 0.156 0.445 -1.628 0.025 -0.063 RESID 115 (G): 5.206 ----- 0.322 0.673 ----- 0.904 RESID 116 (A): 0.744 0.100 -1.494 -1.087 0.723 -0.215 RESID 117 (A): 1.474 0.082 -1.425 -1.377 0.792 0.139 RESID 118 (E): 0.754 0.161 -0.803 -1.271 0.925 0.466 RESID 119 (S): 2.288 0.044 0.091 -0.218 0.679 0.731 RESID 120 (S): 0.828 0.086 0.158 -1.422 -0.036 0.632 RESID 121 (S): 0.512 0.004 0.030 -0.665 -0.423 0.557 RESID 122 (K): 2.656 -0.006 ----- 0.668 0.242 0.606 RESID 123 (A): 1.169 0.024 ----- -0.561 0.111 0.730 RESID 124 (A): 0.061 0.060 ----- -0.506 0.281 0.411 RESID 125 (L): 1.204 -0.013 -0.067 0.232 -0.246 0.649 RESID 126 (T): -0.119 -0.095 -0.499 1.292 -1.359 0.460 RESID 127 (S): -1.629 0.077 0.742 -0.968 -0.186 -0.861 RESID 128 (K): 0.625 -0.009 1.162 0.945 0.419 -0.048 RESID 129 (L): 2.295 -0.723 -2.869 0.721 -0.040 0.184 RESID 130 (D): -3.518 -0.467 0.515 0.233 0.302 -0.533 RESID 131 (A): -2.698 -0.168 0.802 -0.124 -0.590 -0.655 RESID 132 (A): 2.245 0.088 0.487 -0.337 -0.294 -0.247 RESID 133 (Y): -1.017 0.071 2.696 -4.276 -2.633 1.004 RESID 134 (K): 1.740 0.131 -0.148 1.599 0.396 0.410 RESID 135 (L): 1.265 0.144 2.211 0.247 0.401 0.003 RESID 136 (A): 3.290 -0.268 -1.090 1.086 -0.620 0.100 RESID 137 (Y): -1.378 1.449 -0.296 2.146 0.882 0.669 RESID 138 (K): -0.438 0.247 0.903 -0.156 0.060 0.537 RESID 139 (T): 2.171 0.147 1.296 3.426 -1.631 0.304 RESID 140 (A): 2.375 -0.008 0.740 0.866 0.960 0.979 RESID 141 (E): -0.195 -0.212 -0.538 0.648 -0.149 0.783 RESID 142 (G): -3.645 ----- 0.833 0.578 ----- -0.116 RESID 143 (A): -0.504 -0.242 1.222 -0.789 -0.523 -0.120 RESID 144 (T): -3.379 -0.394 1.202 2.073 -1.652 -0.109 RESID 145 (P): ----- -0.294 1.335 3.528 0.266 ----- RESID 146 (E): -1.350 0.245 0.804 0.151 -0.746 0.355 RESID 147 (A): 2.821 0.107 0.089 0.183 2.002 -0.049 RESID 148 (K): 0.406 -0.674 -0.839 2.542 0.481 -0.960 RESID 149 (Y): -0.690 -0.260 -2.747 0.609 -0.704 0.396 RESID 150 (D): -1.017 -0.513 0.689 -0.535 0.508 -0.333 RESID 152 (Y): ----- -0.225 -0.445 2.573 1.352 ----- RESID 153 (V): -2.456 -0.116 0.922 0.981 0.704 0.049 RESID 154 (A): 0.653 -0.050 -2.758 -0.055 -0.035 0.058 RESID 155 (T): -1.994 -0.138 0.254 -0.138 -0.296 -0.616 RESID 156 (L): 0.041 -0.179 ----- -0.177 0.588 0.965 RESID 157 (S): -1.759 -0.115 0.732 0.716 -0.992 0.743 RESID 158 (E): -1.603 0.040 -0.622 -0.593 0.257 -0.466 RESID 159 (A): -0.876 -0.100 0.883 0.341 0.313 0.387 RESID 160 (L): -3.046 -0.284 0.596 0.304 -0.880 -0.124 RESID 161 (R): 2.497 -0.177 0.878 0.334 -0.337 -0.632 RESID 162 (I): 0.172 -0.109 2.547 0.131 -0.246 -0.289 RESID 163 (I): ----- -0.195 ----- 0.593 0.645 ----- RESID 164 (A): 0.489 -0.122 1.034 0.661 -0.126 0.997 RESID 165 (G): -0.318 ----- 0.194 0.661 ----- 0.335 RESID 166 (T): -2.987 0.058 -0.708 -0.246 0.181 0.254 RESID 167 (L): -1.801 0.137 0.540 0.141 -0.210 -0.134 RESID 168 (E): -3.132 -0.150 0.336 0.223 -0.259 -0.343 RESID 169 (V): 6.721 -0.202 0.996 -6.281 ----- -0.095 RESID 170 (H): -0.708 -0.223 -0.121 -1.019 1.578 0.358 RESID 171 (A): -0.143 -0.207 1.341 -0.503 -2.110 0.148 RESID 172 (V): -0.822 -0.160 -0.419 0.406 1.454 0.248 RESID 173 (K): 0.883 ----- -0.331 -2.123 0.870 -0.187 RESID 174 (P): ----- -0.231 ----- 0.300 0.121 ----- RESID 175 (A): -2.086 -0.070 0.486 0.121 0.703 -0.050 RESID 176 (A): 0.575 -0.127 1.087 0.499 0.235 0.738 RESID 177 (E): -0.846 0.041 1.028 -0.482 0.759 -0.012 RESID 178 (E): -0.261 0.028 -1.403 -0.131 0.287 0.017 RESID 179 (V): 3.109 0.039 -0.572 -2.124 0.564 -0.202 RESID 180 (K): 8.031 -0.140 0.939 1.321 -1.163 0.933 RESID 181 (V): 1.311 0.130 0.851 -1.645 0.464 -0.136 RESID 182 (I): 1.858 ----- 0.092 0.072 -0.167 0.006 RESID 183 (P): ----- -0.206 0.791 -0.440 -0.097 ----- RESID 184 (A): 2.314 -0.327 2.120 1.576 -0.298 0.586 RESID 185 (G): 0.067 ----- 0.091 1.083 ----- 0.751 RESID 186 (E): 1.176 0.175 -0.360 -0.828 2.025 -0.761 RESID 187 (L): 1.009 -0.019 -0.710 -1.118 0.320 0.312 RESID 188 (Q): 0.070 0.196 -0.581 -1.436 0.255 -0.350 RESID 189 (V): -2.025 -0.054 0.625 0.346 0.410 0.281 RESID 190 (I): 0.504 -0.006 -0.570 -0.832 -0.213 -0.068 RESID 191 (E): 0.279 0.260 0.432 -0.400 0.092 -0.649 RESID 192 (K): -1.444 0.101 0.085 -1.016 -0.567 0.089 RESID 193 (V): 1.881 -0.026 -1.150 0.213 -0.291 0.425 RESID 194 (D): 2.282 0.003 -0.120 0.739 0.975 0.541 RESID 195 (A): -1.925 -0.049 0.607 0.400 -0.474 0.259 RESID 196 (A): 0.482 -0.057 -0.537 0.215 1.094 -0.201 RESID 197 (F): 1.276 -0.405 -1.125 0.463 -0.247 1.272 RESID 198 (K): -1.114 -0.120 1.645 -0.366 -0.034 -0.154 RESID 199 (V): 1.737 -0.059 1.155 0.792 0.371 -0.412 RESID 200 (A): 4.237 -0.496 -0.300 0.569 0.576 0.613 RESID 201 (A): -0.824 -0.051 1.177 -0.354 -0.149 -0.561 RESID 202 (T): 1.722 0.129 -0.951 -4.506 -6.960 0.219 RESID 203 (A): 1.220 -0.082 2.096 0.577 -0.377 -0.235 RESID 204 (A): 2.676 0.055 1.468 1.811 -0.104 1.243 RESID 205 (N): -2.664 -0.221 -1.515 0.961 0.726 0.075 RESID 206 (A): -3.298 0.096 -0.637 2.748 -0.741 -0.462 RESID 207 (A): 0.477 0.104 -0.778 0.646 -0.295 -0.349 RESID 208 (P): ----- -0.010 -0.007 0.026 -0.231 ----- RESID 209 (A): -3.232 -0.004 1.473 2.105 0.493 0.167 RESID 210 (N): -4.602 0.052 0.530 0.155 -0.030 0.544 RESID 211 (D): -5.817 0.232 0.134 -0.302 2.740 -0.428 RESID 212 (K): -5.696 -0.953 0.372 4.721 -0.758 -1.485 RESID 213 (F): -6.281 -0.146 1.007 0.197 0.695 -0.617 RESID 214 (T): 0.469 ----- 1.497 -1.742 0.337 -0.475 RESID 215 (V): 1.962 0.012 0.468 0.380 -0.284 0.840 RESID 216 (F): -1.747 -0.207 -0.161 0.841 0.262 1.054 RESID 217 (E): -2.301 -0.202 -1.188 2.431 0.446 -0.500 RESID 218 (A): -3.756 0.079 0.967 0.164 -0.362 -0.008 RESID 219 (A): -2.158 0.080 0.956 -0.114 0.464 0.274 RESID 220 (F): 2.079 0.374 0.312 -2.730 1.316 0.419 RESID 221 (N): -0.007 -0.062 ----- 0.762 -0.422 0.776 RESID 222 (D): -1.412 -0.175 0.678 0.692 0.111 0.048 RESID 223 (A): 0.144 0.135 ----- 0.244 -0.009 -0.126 RESID 224 (I): 6.383 -0.345 0.540 1.747 -0.017 1.301 RESID 225 (K): 2.918 0.275 1.025 -0.774 -0.094 0.794 RESID 226 (A): 0.708 0.032 1.571 0.211 0.192 -0.195 RESID 227 (S): 0.186 -0.033 -0.011 0.447 -0.314 0.457 RESID 228 (T): -5.325 0.063 ----- 0.945 1.997 -0.326 RESID 229 (G): 3.076 ----- 3.178 0.987 ----- 0.501 RESID 230 (G): -2.766 ----- 0.769 0.167 ----- 0.380 RESID 231 (A): -3.460 -0.226 1.412 2.530 -0.726 -0.172 RESID 232 (Y): -7.887 -0.370 -0.699 -1.248 0.729 -0.225 RESID 233 (E): -5.154 -0.256 -2.012 -0.396 0.987 -0.451 RESID 234 (S): -8.746 0.018 0.067 -2.136 1.103 -0.474 RESID 235 (Y): -4.596 -0.409 -0.018 0.463 -1.415 0.236 RESID 236 (K): 1.488 -0.322 1.153 0.560 1.386 -1.487 RESID 237 (F): 0.258 -0.082 -0.829 1.070 0.443 -0.390 RESID 238 (I): 6.734 -0.054 ----- 0.423 -0.627 0.275 RESID 239 (P): ----- 0.080 2.038 3.316 0.867 ----- RESID 240 (A): -5.574 0.238 ----- 0.927 1.528 0.400 RESID 241 (L): -2.881 0.334 -0.274 -1.319 0.403 0.150 RESID 242 (E): 4.271 -0.025 -0.251 1.537 -0.019 0.823 RESID 243 (A): -2.663 -0.167 0.499 0.571 -0.373 0.552 RESID 244 (A): -1.970 0.091 0.133 0.378 ----- -0.590 RESID 245 (V): 2.031 -0.252 -0.450 0.448 0.601 0.911 RESID 246 (K): -0.415 0.136 1.341 1.375 -0.055 0.934 RESID 247 (Q): 2.044 -0.124 -0.143 0.096 -0.758 -0.155 RESID 248 (A): 2.964 -0.215 0.114 0.389 0.450 0.080 RESID 249 (Y): -1.120 -0.128 4.829 2.745 -0.836 0.105 RESID 250 (A): 4.429 -0.140 1.889 2.227 -1.233 0.790 RESID 251 (A): -0.461 -0.148 1.524 1.913 -0.575 -0.190 RESID 252 (T): -3.124 0.166 0.803 -0.035 1.084 0.515 RESID 253 (V): -0.385 -0.071 1.455 1.795 2.465 -1.204 RESID 254 (A): -3.124 0.095 1.005 -0.450 -0.579 -0.142 RESID 255 (T): -0.168 -0.297 -0.356 0.831 -1.085 -0.274 RESID 256 (A): 2.259 0.260 0.659 -0.574 -0.326 0.213 RESID 257 (P): ----- -0.190 1.970 3.355 0.258 ----- RESID 258 (E): -1.748 0.192 0.653 2.124 -0.254 0.985 RESID 259 (V): 1.624 1.005 -1.547 -2.889 1.989 -0.753 RESID 260 (K): 1.571 -0.044 -0.532 1.826 2.309 -0.999 RESID 261 (Y): 0.393 -0.752 -1.728 1.324 -0.474 1.056 RESID 262 (T): -2.010 0.152 0.667 1.617 -1.299 -0.535 RESID 263 (V): 2.463 -0.182 0.473 0.033 0.611 -0.169 RESID 264 (F): 1.946 -0.223 -2.055 -1.078 0.647 -0.200 RESID 265 (E): 1.554 -1.226 -0.514 0.132 0.345 0.543 RESID 266 (T): -2.796 -0.312 -0.531 0.114 0.205 -0.652 RESID 267 (A): -0.045 -0.189 1.318 -0.184 -0.360 -0.785 RESID 268 (L): 2.778 -0.080 -1.686 -0.854 -5.143 1.045 RESID 269 (K): 0.053 -0.772 0.349 -0.284 -0.177 0.087 RESID 270 (K): -0.301 -0.190 0.020 0.630 0.221 -0.267 RESID 271 (A): 0.266 -0.011 0.740 -0.209 0.497 -0.496 RESID 272 (I): 1.700 0.016 0.155 0.196 -0.155 0.390 RESID 273 (T): 1.946 0.370 -0.091 1.588 -1.608 0.055 RESID 274 (A): -1.418 0.100 0.901 -0.130 -0.439 -0.276 RESID 275 (M): 3.106 -0.116 0.533 1.457 0.991 -0.096 RESID 276 (S): 0.000 -0.092 -0.269 -0.706 -0.369 0.900 RESID 277 (E): -0.355 -0.093 0.049 -0.094 0.298 0.305 RESID 278 (A): 0.017 0.099 0.197 -0.185 0.222 0.324 RESID 279 (Q): -0.168 0.206 -0.987 -1.846 -0.059 0.133 RESID 280 (K): 3.219 -0.132 -1.430 -0.657 0.433 0.144 RESID 281 (A): 1.179 -0.163 -0.669 -0.199 0.595 0.489 RESID 282 (A): 1.560 0.084 -0.708 -1.114 0.077 0.196 RESID 283 (K): 2.196 0.244 6.579 -1.208 0.651 0.456 RESID 284 (P): ----- -0.125 -4.493 0.819 -0.013 ----- DATA CS_STAT_INFO N RMS: 3.073 ppm Count: 216 Average Difference: -0.170 +/- 3.075 ppm DATA CS_STAT_INFO HA RMS: 0.281 ppm Count: 233 Average Difference: 0.048 +/- 0.278 ppm DATA CS_STAT_INFO C RMS: 1.277 ppm Count: 211 Average Difference: -0.328 +/- 1.237 ppm DATA CS_STAT_INFO CA RMS: 1.471 ppm Count: 228 Average Difference: -0.307 +/- 1.442 ppm DATA CS_STAT_INFO CB RMS: 1.124 ppm Count: 214 Average Difference: -0.036 +/- 1.126 ppm DATA CS_STAT_INFO HN RMS: 0.584 ppm Count: 216 Average Difference: -0.141 +/- 0.568 ppm ############################################################################ For conformer 10: Atom Original Corrected SPARTA Difference RESID 56 (A): N 123.960 123.960 123.144 0.816 RESID 56 (A): HA 4.219 4.219 4.176 0.043 RESID 56 (A): C 177.886 177.886 179.867 -1.981 RESID 56 (A): CA 52.782 52.782 53.955 -1.173 RESID 56 (A): CB 19.246 19.246 18.594 0.652 RESID 56 (A): H 8.814 8.814 8.231 0.583 RESID 57 (G): N 108.854 108.854 107.241 1.613 RESID 57 (G): C 173.751 173.751 174.684 -0.933 RESID 57 (G): CA 45.130 45.130 45.462 -0.332 RESID 57 (G): H 8.524 8.524 8.429 0.095 RESID 58 (K): N 120.911 120.911 116.240 4.671 RESID 58 (K): HA 4.301 4.301 4.522 -0.221 RESID 58 (K): C 176.244 176.244 174.906 1.338 RESID 58 (K): CA 55.941 55.941 55.407 0.534 RESID 58 (K): CB 33.552 33.552 34.411 -0.859 RESID 58 (K): H 8.206 8.206 7.582 0.624 RESID 59 (A): N 126.086 126.086 123.431 2.655 RESID 59 (A): HA 4.354 4.354 4.369 -0.015 RESID 59 (A): C 177.815 177.815 178.067 -0.252 RESID 59 (A): CA 52.346 52.346 53.127 -0.781 RESID 59 (A): CB 19.479 19.479 19.265 0.214 RESID 59 (A): H 8.518 8.518 8.565 -0.047 RESID 60 (T): N 114.453 114.453 111.557 2.896 RESID 60 (T): HA 4.434 4.434 4.745 -0.311 RESID 60 (T): C 175.282 175.282 172.730 2.552 RESID 60 (T): CA 61.740 61.740 60.949 0.791 RESID 60 (T): CB 70.210 70.210 70.475 -0.266 RESID 60 (T): H 8.402 8.402 8.027 0.375 RESID 61 (T): N 115.217 115.217 113.764 1.453 RESID 61 (T): HA 4.360 4.360 4.587 -0.227 RESID 61 (T): C 175.851 175.851 174.675 1.176 RESID 61 (T): CA 61.847 61.847 60.315 1.532 RESID 61 (T): CB 70.682 70.682 71.923 -1.241 RESID 61 (T): H 8.429 8.429 7.889 0.540 RESID 62 (E): N 120.843 120.843 121.522 -0.679 RESID 62 (E): HA 3.923 3.923 4.040 -0.117 RESID 62 (E): C 179.517 179.517 178.829 0.688 RESID 62 (E): CA 59.568 59.568 59.972 -0.404 RESID 62 (E): CB 29.223 29.223 29.311 -0.087 RESID 62 (E): H 9.049 9.049 8.861 0.188 RESID 63 (E): N 119.900 119.900 118.903 0.997 RESID 63 (E): HA 3.768 3.768 4.006 -0.238 RESID 63 (E): C 177.635 177.635 178.891 -1.256 RESID 63 (E): CA 60.882 60.882 59.764 1.117 RESID 63 (E): CB 29.410 29.410 29.238 0.172 RESID 63 (E): H 8.857 8.857 8.481 0.376 RESID 64 (Q): N 118.374 118.374 118.674 -0.300 RESID 64 (Q): HA 3.821 3.821 4.058 -0.237 RESID 64 (Q): C 178.986 178.986 177.952 1.034 RESID 64 (Q): CA 58.831 58.831 58.423 0.408 RESID 64 (Q): CB 28.480 28.480 28.533 -0.053 RESID 64 (Q): H 7.923 7.923 7.829 0.094 RESID 65 (K): N 119.234 119.234 118.487 0.747 RESID 65 (K): HA 3.940 3.940 4.116 -0.176 RESID 65 (K): C 178.993 178.993 179.393 -0.400 RESID 65 (K): CA 59.547 59.547 58.797 0.750 RESID 65 (K): CB 32.502 32.502 32.529 -0.027 RESID 65 (K): H 8.258 8.258 8.025 0.233 RESID 66 (L): N 120.500 120.500 122.114 -1.614 RESID 66 (L): HA 4.060 4.060 4.076 -0.016 RESID 66 (L): C 178.729 178.729 178.243 0.486 RESID 66 (L): CA 58.217 58.217 57.657 0.560 RESID 66 (L): CB 41.328 41.328 42.263 -0.935 RESID 66 (L): H 7.786 7.786 8.508 -0.722 RESID 67 (I): N 118.533 118.533 117.556 0.977 RESID 67 (I): HA 3.817 3.817 3.665 0.152 RESID 67 (I): C 177.644 177.644 176.660 0.984 RESID 67 (I): CA 62.837 62.837 63.623 -0.786 RESID 67 (I): CB 36.617 36.617 37.983 -1.366 RESID 67 (I): H 8.049 8.049 8.531 -0.482 RESID 68 (E): N 121.332 121.332 117.027 4.305 RESID 68 (E): HA 4.117 4.117 4.201 -0.084 RESID 68 (E): C 181.037 181.037 177.649 3.388 RESID 68 (E): CA 59.800 59.800 58.130 1.670 RESID 68 (E): CB 29.330 29.330 29.702 -0.372 RESID 68 (E): H 8.178 8.178 7.591 0.587 RESID 69 (K): N 120.580 120.580 119.701 0.879 RESID 69 (K): HA 4.120 4.120 4.202 -0.082 RESID 69 (K): C 180.563 180.563 178.840 1.723 RESID 69 (K): CA 59.667 59.667 58.102 1.565 RESID 69 (K): CB 33.436 33.436 33.100 0.336 RESID 69 (K): H 7.921 7.921 7.978 -0.057 RESID 70 (I): N 123.857 123.857 120.880 2.977 RESID 70 (I): HA 3.761 3.761 3.723 0.038 RESID 70 (I): C 178.582 178.582 175.992 2.590 RESID 70 (I): CA 63.442 63.442 63.277 0.165 RESID 70 (I): CB 36.146 36.146 37.927 -1.781 RESID 70 (I): H 8.533 8.533 8.110 0.423 RESID 71 (N): N 121.132 121.132 118.411 2.721 RESID 71 (N): HA 4.596 4.596 4.224 0.372 RESID 71 (N): C 178.680 178.680 177.364 1.316 RESID 71 (N): CA 56.116 56.116 56.504 -0.388 RESID 71 (N): CB 37.991 37.991 37.254 0.737 RESID 71 (N): H 9.041 9.041 7.904 1.137 RESID 72 (A): N 123.574 123.574 122.321 1.253 RESID 72 (A): HA 4.231 4.231 4.181 0.050 RESID 72 (A): C 181.206 181.206 179.687 1.519 RESID 72 (A): CA 55.491 55.491 54.923 0.568 RESID 72 (A): CB 17.697 17.697 18.258 -0.561 RESID 72 (A): H 8.361 8.361 7.654 0.707 RESID 73 (G): N 109.949 109.949 107.070 2.879 RESID 73 (G): C 175.146 175.146 176.613 -1.467 RESID 73 (G): CA 47.137 47.137 46.990 0.147 RESID 73 (G): H 8.429 8.429 7.644 0.785 RESID 74 (F): N 124.896 124.896 121.689 3.207 RESID 74 (F): HA 4.079 4.079 4.449 -0.370 RESID 74 (F): C 177.084 177.084 177.367 -0.283 RESID 74 (F): CA 62.295 62.295 58.963 3.332 RESID 74 (F): CB 39.696 39.696 38.671 1.025 RESID 74 (F): H 9.000 9.000 8.178 0.822 RESID 75 (K): N 118.457 118.457 121.037 -2.580 RESID 75 (K): HA 4.009 4.009 3.938 0.071 RESID 75 (K): C 179.824 179.824 178.814 1.010 RESID 75 (K): CA 60.011 60.011 59.979 0.032 RESID 75 (K): CB 32.450 32.450 32.273 0.177 RESID 75 (K): H 8.165 8.165 8.356 -0.191 RESID 76 (A): N 122.983 122.983 120.574 2.409 RESID 76 (A): HA 4.127 4.127 4.139 -0.012 RESID 76 (A): C 180.654 180.654 178.983 1.671 RESID 76 (A): CA 54.723 54.723 54.854 -0.131 RESID 76 (A): CB 17.580 17.580 18.061 -0.481 RESID 76 (A): H 8.429 8.429 7.840 0.589 RESID 77 (A): N 124.931 124.931 120.228 4.703 RESID 77 (A): HA 3.765 3.765 4.064 -0.299 RESID 77 (A): C 178.922 178.922 179.417 -0.495 RESID 77 (A): CA 55.160 55.160 54.104 1.056 RESID 77 (A): CB 18.170 18.170 19.148 -0.978 RESID 77 (A): H 8.407 8.407 7.300 1.107 RESID 78 (L): N 121.008 121.008 119.056 1.952 RESID 78 (L): HA 4.180 4.180 3.681 0.499 RESID 78 (L): C 180.456 180.456 179.703 0.753 RESID 78 (L): CA 58.160 58.160 57.610 0.550 RESID 78 (L): CB 42.895 42.895 41.737 1.158 RESID 78 (L): H 8.412 8.412 8.595 -0.183 RESID 79 (A): N 121.505 121.505 121.643 -0.138 RESID 79 (A): HA 4.133 4.133 4.081 0.052 RESID 79 (A): C 180.329 180.329 179.037 1.292 RESID 79 (A): CA 54.697 54.697 54.763 -0.066 RESID 79 (A): CB 17.662 17.662 18.008 -0.346 RESID 79 (A): H 7.813 7.813 8.589 -0.776 RESID 80 (A): N 121.520 121.520 119.473 2.047 RESID 80 (A): HA 4.055 4.055 4.142 -0.087 RESID 80 (A): C 181.040 181.040 178.002 3.038 RESID 80 (A): CA 54.340 54.340 53.396 0.944 RESID 80 (A): CB 18.700 18.700 18.435 0.265 RESID 80 (A): H 8.278 8.278 7.562 0.716 RESID 81 (A): N 119.451 119.451 118.978 0.473 RESID 81 (A): HA 4.179 4.179 4.385 -0.206 RESID 81 (A): C 178.308 178.308 176.670 1.638 RESID 81 (A): CA 53.950 53.950 52.424 1.526 RESID 81 (A): CB 18.900 18.900 18.658 0.242 RESID 81 (A): H 8.428 8.428 7.229 1.199 RESID 82 (A): N 119.868 119.868 118.843 1.025 RESID 82 (A): HA 4.018 4.018 4.560 -0.542 RESID 82 (A): C 178.696 178.696 176.288 2.408 RESID 82 (A): CA 54.290 54.290 51.345 2.945 RESID 82 (A): CB 18.200 18.200 21.016 -2.816 RESID 82 (A): H 7.860 7.860 7.080 0.780 RESID 83 (G): N 128.265 128.265 108.390 19.875 RESID 83 (G): C 174.104 174.104 173.965 0.139 RESID 83 (G): CA 44.978 44.978 45.539 -0.561 RESID 83 (G): H 7.429 7.429 8.541 -1.112 RESID 84 (V): N 111.883 111.883 117.150 -5.267 RESID 84 (V): HA 4.801 4.801 4.398 0.403 RESID 84 (V): C 175.136 175.136 175.223 -0.087 RESID 84 (V): CA 58.875 58.875 59.997 -1.122 RESID 84 (V): CB 34.417 34.417 33.276 1.141 RESID 84 (V): H 7.052 7.052 7.399 -0.347 RESID 85 (Q): N 119.223 119.223 122.957 -3.734 RESID 85 (Q): HA 4.410 4.410 4.407 0.003 RESID 85 (Q): CA 54.350 54.350 53.985 0.365 RESID 85 (Q): CB 26.663 26.663 29.273 -2.610 RESID 85 (Q): H 8.687 8.687 8.457 0.230 RESID 86 (P): HA 4.345 4.345 4.133 0.212 RESID 86 (P): CA 62.130 62.130 64.507 -2.377 RESID 86 (P): CB 32.330 32.330 30.438 1.892 RESID 87 (A): N 118.968 118.968 126.784 -7.816 RESID 87 (A): HA 4.177 4.177 4.350 -0.173 RESID 87 (A): C 177.901 177.901 177.881 0.020 RESID 87 (A): CA 54.580 54.580 53.331 1.248 RESID 87 (A): CB 18.675 18.675 19.895 -1.220 RESID 87 (A): H 8.949 8.949 8.205 0.744 RESID 88 (D): N 114.859 114.859 119.767 -4.908 RESID 88 (D): HA 5.032 5.032 4.768 0.264 RESID 88 (D): C 177.564 177.564 177.455 0.109 RESID 88 (D): CA 54.500 54.500 54.954 -0.454 RESID 88 (D): CB 43.027 43.027 42.151 0.876 RESID 88 (D): H 8.201 8.201 7.997 0.204 RESID 89 (K): N 124.691 124.691 119.541 5.150 RESID 89 (K): HA 3.367 3.367 4.048 -0.681 RESID 89 (K): C 177.108 177.108 177.871 -0.763 RESID 89 (K): CA 62.300 62.300 59.251 3.050 RESID 89 (K): CB 32.541 32.541 31.866 0.675 RESID 89 (K): H 7.553 7.553 8.290 -0.737 RESID 90 (Y): N 119.522 119.522 120.542 -1.020 RESID 90 (Y): HA 4.226 4.226 4.805 -0.579 RESID 90 (Y): C 175.856 175.856 176.795 -0.939 RESID 90 (Y): CA 62.070 62.070 59.047 3.022 RESID 90 (Y): CB 37.336 37.336 38.402 -1.066 RESID 90 (Y): H 9.244 9.244 8.106 1.138 RESID 91 (R): N 118.233 118.233 118.426 -0.193 RESID 91 (R): HA 3.603 3.603 3.554 0.049 RESID 91 (R): C 179.347 179.347 178.445 0.902 RESID 91 (R): CA 59.173 59.173 58.896 0.277 RESID 91 (R): CB 29.209 29.209 29.956 -0.747 RESID 91 (R): H 8.973 8.973 8.368 0.605 RESID 92 (T): N 116.043 116.043 116.029 0.014 RESID 92 (T): HA 3.912 3.912 4.030 -0.118 RESID 92 (T): C 176.425 176.425 176.270 0.155 RESID 92 (T): CA 67.061 67.061 66.083 0.978 RESID 92 (T): CB 68.762 68.762 68.602 0.161 RESID 92 (T): H 7.949 7.949 8.483 -0.534 RESID 93 (F): N 125.587 125.587 122.132 3.455 RESID 93 (F): HA 3.764 3.764 4.291 -0.527 RESID 93 (F): C 177.008 177.008 178.755 -1.747 RESID 93 (F): CA 62.783 62.783 61.943 0.841 RESID 93 (F): CB 39.771 39.771 38.605 1.165 RESID 93 (F): H 9.047 9.047 7.710 1.337 RESID 94 (V): N 118.057 118.057 119.046 -0.989 RESID 94 (V): HA 3.285 3.285 3.582 -0.297 RESID 94 (V): C 179.641 179.641 177.703 1.938 RESID 94 (V): CA 67.046 67.046 65.894 1.152 RESID 94 (V): CB 31.890 31.890 30.825 1.065 RESID 94 (V): H 8.540 8.540 8.011 0.529 RESID 95 (A): N 121.659 121.659 121.508 0.151 RESID 95 (A): HA 4.076 4.076 4.015 0.061 RESID 95 (A): C 180.431 180.431 179.652 0.779 RESID 95 (A): CA 55.002 55.002 55.107 -0.105 RESID 95 (A): CB 18.135 18.135 18.513 -0.378 RESID 95 (A): H 8.056 8.056 8.008 0.048 RESID 96 (T): N 115.396 115.396 114.922 0.474 RESID 96 (T): HA 4.197 4.197 4.101 0.096 RESID 96 (T): C 176.605 176.605 176.497 0.108 RESID 96 (T): CA 68.450 68.450 65.538 2.912 RESID 96 (T): CB 66.738 66.738 69.070 -2.332 RESID 96 (T): H 7.904 7.904 8.332 -0.428 RESID 97 (F): N 123.502 123.502 122.853 0.649 RESID 97 (F): HA 3.628 3.628 4.056 -0.428 RESID 97 (F): C 177.130 177.130 176.771 0.359 RESID 97 (F): CA 61.883 61.883 60.486 1.397 RESID 97 (F): CB 39.300 39.300 38.422 0.877 RESID 97 (F): H 9.024 9.024 8.205 0.819 RESID 98 (G): N 107.348 107.348 107.136 0.212 RESID 98 (G): C 175.718 175.718 175.083 0.635 RESID 98 (G): CA 46.926 46.926 46.759 0.167 RESID 98 (G): H 8.476 8.476 7.859 0.617 RESID 99 (A): N 122.344 122.344 123.922 -1.578 RESID 99 (A): HA 4.130 4.130 4.092 0.038 RESID 99 (A): C 180.299 180.299 179.170 1.129 RESID 99 (A): CA 54.856 54.856 54.553 0.303 RESID 99 (A): CB 17.755 17.755 18.214 -0.459 RESID 99 (A): H 7.404 7.404 8.014 -0.610 RESID 100 (A): N 121.274 121.274 121.063 0.211 RESID 100 (A): HA 4.207 4.207 3.942 0.265 RESID 100 (A): C 181.140 181.140 179.537 1.603 RESID 100 (A): CA 54.496 54.496 55.049 -0.553 RESID 100 (A): CB 17.543 17.543 18.262 -0.719 RESID 100 (A): H 9.009 9.009 7.419 1.590 RESID 101 (S): N 116.676 116.676 113.397 3.279 RESID 101 (S): HA 4.202 4.202 4.049 0.153 RESID 101 (S): C 176.687 176.687 176.489 0.198 RESID 101 (S): CA 68.500 68.500 61.208 7.292 RESID 101 (S): CB 67.022 67.022 62.488 4.534 RESID 101 (S): H 7.861 7.861 7.482 0.379 RESID 102 (N): HA 4.281 4.281 4.378 -0.097 RESID 102 (N): CA 55.960 55.960 55.904 0.056 RESID 102 (N): CB 37.701 37.701 38.426 -0.725 RESID 103 (K): N 120.130 120.130 120.660 -0.530 RESID 103 (K): HA 4.009 4.009 3.916 0.093 RESID 103 (K): C 177.809 177.809 178.483 -0.674 RESID 103 (K): CA 59.437 59.437 59.829 -0.392 RESID 103 (K): CB 32.638 32.638 32.465 0.173 RESID 103 (K): H 7.716 7.716 8.225 -0.509 RESID 104 (A): N 121.097 121.097 122.048 -0.951 RESID 104 (A): HA 3.994 3.994 4.063 -0.069 RESID 104 (A): C 180.119 180.119 179.448 0.671 RESID 104 (A): CA 54.666 54.666 55.284 -0.618 RESID 104 (A): CB 18.369 18.369 18.464 -0.095 RESID 104 (A): H 7.762 7.762 7.616 0.146 RESID 105 (F): N 116.920 116.920 118.991 -2.071 RESID 105 (F): HA 4.231 4.231 4.129 0.102 RESID 105 (F): C 177.950 177.950 177.781 0.169 RESID 105 (F): CA 59.775 59.775 60.662 -0.887 RESID 105 (F): CB 38.380 38.380 38.754 -0.374 RESID 105 (F): H 8.508 8.508 8.492 0.016 RESID 106 (A): N 121.978 121.978 119.546 2.432 RESID 106 (A): HA 4.180 4.180 4.081 0.099 RESID 106 (A): CA 54.164 54.164 54.412 -0.248 RESID 106 (A): CB 18.482 18.482 18.605 -0.123 RESID 106 (A): H 7.885 7.885 8.378 -0.493 RESID 107 (E): N 118.006 118.006 118.682 -0.676 RESID 107 (E): HA 4.125 4.125 4.343 -0.218 RESID 107 (E): C 177.933 177.933 179.093 -1.160 RESID 107 (E): CA 57.663 57.663 57.631 0.032 RESID 107 (E): CB 30.205 30.205 30.290 -0.085 RESID 107 (E): H 7.991 7.991 7.926 0.065 RESID 108 (G): N 108.097 108.097 108.170 -0.073 RESID 108 (G): C 174.327 174.327 175.443 -1.116 RESID 108 (G): CA 45.675 45.675 45.644 0.031 RESID 108 (G): H 8.106 8.106 8.741 -0.635 RESID 109 (L): N 121.291 121.291 120.331 0.960 RESID 109 (L): HA 4.338 4.338 3.912 0.426 RESID 109 (L): C 177.737 177.737 176.102 1.635 RESID 109 (L): CA 55.404 55.404 56.616 -1.212 RESID 109 (L): CB 42.279 42.279 42.425 -0.146 RESID 109 (L): H 7.965 7.965 7.468 0.497 RESID 110 (S): N 115.953 115.953 111.704 4.249 RESID 110 (S): HA 4.350 4.350 4.200 0.150 RESID 110 (S): C 175.049 175.049 174.767 0.282 RESID 110 (S): CA 58.898 58.898 58.879 0.019 RESID 110 (S): CB 63.724 63.724 62.002 1.722 RESID 110 (S): H 8.243 8.243 7.592 0.651 RESID 111 (G): N 110.568 110.568 109.688 0.880 RESID 111 (G): C 173.855 173.855 173.838 0.017 RESID 111 (G): CA 45.127 45.127 45.774 -0.647 RESID 111 (G): H 8.392 8.392 8.645 -0.253 RESID 112 (E): N 121.380 121.380 123.137 -1.757 RESID 112 (E): HA 4.538 4.538 4.354 0.184 RESID 112 (E): CA 54.191 54.191 53.931 0.260 RESID 112 (E): CB 29.390 29.390 30.608 -1.218 RESID 112 (E): H 8.060 8.060 8.301 -0.241 RESID 113 (P): HA 4.349 4.349 4.345 0.004 RESID 113 (P): CA 63.375 63.375 63.947 -0.572 RESID 113 (P): CB 32.052 32.052 32.158 -0.106 RESID 114 (K): N 121.571 121.571 120.666 0.905 RESID 114 (K): HA 4.246 4.246 4.333 -0.087 RESID 114 (K): C 177.324 177.324 177.175 0.149 RESID 114 (K): CA 56.277 56.277 55.212 1.065 RESID 114 (K): CB 32.803 32.803 30.577 2.226 RESID 114 (K): H 8.536 8.536 7.934 0.602 RESID 115 (G): N 110.197 110.197 110.057 0.140 RESID 115 (G): C 174.102 174.102 175.174 -1.072 RESID 115 (G): CA 45.232 45.232 45.425 -0.193 RESID 115 (G): H 8.490 8.490 8.117 0.373 RESID 116 (A): N 123.966 123.966 119.943 4.023 RESID 116 (A): HA 4.210 4.210 3.924 0.286 RESID 116 (A): C 178.191 178.191 176.337 1.854 RESID 116 (A): CA 53.081 53.081 53.662 -0.581 RESID 116 (A): CB 19.458 19.458 17.317 2.141 RESID 116 (A): H 8.205 8.205 7.862 0.343 RESID 117 (A): N 122.628 122.628 116.048 6.580 RESID 117 (A): HA 4.199 4.199 4.311 -0.112 RESID 117 (A): C 178.499 178.499 177.433 1.066 RESID 117 (A): CA 53.146 53.146 52.858 0.287 RESID 117 (A): CB 19.106 19.106 19.222 -0.116 RESID 117 (A): H 8.429 8.429 7.997 0.432 RESID 118 (E): N 119.797 119.797 118.866 0.931 RESID 118 (E): HA 4.199 4.199 4.524 -0.325 RESID 118 (E): C 177.223 177.223 176.507 0.716 RESID 118 (E): CA 57.387 57.387 57.367 0.020 RESID 118 (E): CB 30.168 30.168 30.046 0.122 RESID 118 (E): H 8.451 8.451 8.125 0.326 RESID 119 (S): N 116.850 116.850 112.314 4.536 RESID 119 (S): HA 4.397 4.397 4.636 -0.239 RESID 119 (S): C 175.564 175.564 174.802 0.762 RESID 119 (S): CA 58.914 58.914 58.260 0.654 RESID 119 (S): CB 63.487 63.487 64.180 -0.693 RESID 119 (S): H 8.432 8.432 7.833 0.599 RESID 120 (S): N 118.812 118.812 118.038 0.774 RESID 120 (S): HA 4.330 4.330 4.518 -0.188 RESID 120 (S): C 176.421 176.421 176.089 0.332 RESID 120 (S): CA 59.906 59.906 60.201 -0.295 RESID 120 (S): CB 63.110 63.110 63.063 0.047 RESID 120 (S): H 8.559 8.559 8.062 0.497 RESID 121 (S): N 118.669 118.669 117.153 1.516 RESID 121 (S): HA 4.288 4.288 4.359 -0.071 RESID 121 (S): C 176.593 176.593 176.135 0.458 RESID 121 (S): CA 60.439 60.439 60.668 -0.229 RESID 121 (S): CB 62.780 62.780 63.206 -0.426 RESID 121 (S): H 8.462 8.462 8.415 0.047 RESID 122 (K): N 123.978 123.978 121.675 2.303 RESID 122 (K): HA 4.060 4.060 4.062 -0.002 RESID 122 (K): CA 59.263 59.263 59.357 -0.094 RESID 122 (K): CB 32.296 32.296 32.179 0.117 RESID 122 (K): H 8.212 8.212 8.282 -0.070 RESID 123 (A): N 123.450 123.450 121.294 2.156 RESID 123 (A): HA 4.136 4.136 4.236 -0.100 RESID 123 (A): CA 54.330 54.330 54.915 -0.585 RESID 123 (A): CB 18.320 18.320 17.988 0.332 RESID 123 (A): H 8.209 8.209 7.741 0.468 RESID 124 (A): N 121.680 121.680 121.656 0.024 RESID 124 (A): HA 4.105 4.105 4.107 -0.002 RESID 124 (A): CA 54.550 54.550 54.895 -0.345 RESID 124 (A): CB 18.260 18.260 18.212 0.049 RESID 124 (A): H 8.093 8.093 7.755 0.338 RESID 125 (L): N 120.426 120.426 118.687 1.739 RESID 125 (L): HA 4.072 4.072 4.101 -0.029 RESID 125 (L): C 178.680 178.680 179.021 -0.341 RESID 125 (L): CA 57.920 57.920 57.925 -0.005 RESID 125 (L): CB 41.254 41.254 41.858 -0.604 RESID 125 (L): H 8.091 8.091 7.687 0.404 RESID 126 (T): N 112.939 112.939 115.864 -2.925 RESID 126 (T): HA 4.045 4.045 4.181 -0.136 RESID 126 (T): C 176.662 176.662 176.994 -0.332 RESID 126 (T): CA 68.000 68.000 66.474 1.526 RESID 126 (T): CB 66.703 66.703 68.389 -1.686 RESID 126 (T): H 8.439 8.439 8.362 0.077 RESID 127 (S): N 116.674 116.674 118.451 -1.777 RESID 127 (S): HA 4.230 4.230 4.144 0.086 RESID 127 (S): C 177.500 177.500 176.311 1.189 RESID 127 (S): CA 61.651 61.651 62.743 -1.092 RESID 127 (S): CB 62.770 62.770 63.161 -0.391 RESID 127 (S): H 7.830 7.830 8.865 -1.035 RESID 128 (K): N 122.748 122.748 120.525 2.223 RESID 128 (K): HA 4.178 4.178 4.239 -0.061 RESID 128 (K): C 180.027 180.027 178.527 1.500 RESID 128 (K): CA 59.720 59.720 58.469 1.251 RESID 128 (K): CB 32.811 32.811 31.695 1.115 RESID 128 (K): H 7.837 7.837 7.581 0.256 RESID 129 (L): N 122.100 122.100 121.618 0.482 RESID 129 (L): HA 3.680 3.680 4.170 -0.490 RESID 129 (L): C 176.494 176.494 178.645 -2.151 RESID 129 (L): CA 57.837 57.837 57.900 -0.063 RESID 129 (L): CB 41.142 41.142 41.979 -0.837 RESID 129 (L): H 8.389 8.389 7.562 0.827 RESID 130 (D): N 117.732 117.732 119.199 -1.467 RESID 130 (D): HA 4.104 4.104 4.487 -0.383 RESID 130 (D): C 178.771 178.771 178.572 0.199 RESID 130 (D): CA 57.828 57.828 57.172 0.656 RESID 130 (D): CB 41.591 41.591 40.373 1.218 RESID 130 (D): H 8.237 8.237 8.247 -0.010 RESID 131 (A): N 119.043 119.043 122.568 -3.525 RESID 131 (A): HA 4.031 4.031 4.138 -0.107 RESID 131 (A): C 180.501 180.501 179.542 0.959 RESID 131 (A): CA 55.080 55.080 55.232 -0.152 RESID 131 (A): CB 17.836 17.836 18.349 -0.513 RESID 131 (A): H 7.701 7.701 7.850 -0.149 RESID 132 (A): N 123.553 123.553 121.387 2.166 RESID 132 (A): HA 4.097 4.097 3.985 0.112 RESID 132 (A): C 179.369 179.369 179.099 0.270 RESID 132 (A): CA 54.773 54.773 55.059 -0.286 RESID 132 (A): CB 18.260 18.260 18.560 -0.300 RESID 132 (A): H 7.862 7.862 8.313 -0.451 RESID 133 (Y): N 119.392 119.392 120.079 -0.687 RESID 133 (Y): HA 4.127 4.127 4.083 0.044 RESID 133 (Y): C 180.484 180.484 178.062 2.422 RESID 133 (Y): CA 57.910 57.910 62.178 -4.268 RESID 133 (Y): CB 35.838 35.838 38.387 -2.549 RESID 133 (Y): H 8.847 8.847 7.867 0.980 RESID 134 (K): N 121.044 121.044 118.804 2.240 RESID 134 (K): HA 4.212 4.212 4.227 -0.015 RESID 134 (K): C 178.998 178.998 178.954 0.044 RESID 134 (K): CA 59.861 59.861 57.870 1.991 RESID 134 (K): CB 32.553 32.553 32.507 0.046 RESID 134 (K): H 8.298 8.298 8.104 0.194 RESID 135 (L): N 122.293 122.293 120.941 1.352 RESID 135 (L): HA 4.201 4.201 4.074 0.127 RESID 135 (L): C 180.381 180.381 178.202 2.179 RESID 135 (L): CA 57.871 57.871 57.655 0.216 RESID 135 (L): CB 41.852 41.852 41.800 0.052 RESID 135 (L): H 8.207 8.207 8.411 -0.204 RESID 136 (A): N 124.897 124.897 121.080 3.817 RESID 136 (A): HA 3.736 3.736 4.053 -0.317 RESID 136 (A): C 178.374 178.374 179.450 -1.076 RESID 136 (A): CA 56.103 56.103 54.760 1.343 RESID 136 (A): CB 17.563 17.563 18.255 -0.692 RESID 136 (A): H 8.614 8.614 8.497 0.117 RESID 137 (Y): N 118.204 118.204 119.666 -1.462 RESID 137 (Y): HA 4.334 4.334 2.825 1.509 RESID 137 (Y): C 177.390 177.390 177.498 -0.108 RESID 137 (Y): CA 62.357 62.357 60.185 2.172 RESID 137 (Y): CB 38.728 38.728 37.837 0.891 RESID 137 (Y): H 8.320 8.320 7.515 0.805 RESID 138 (K): N 119.255 119.255 119.806 -0.551 RESID 138 (K): HA 3.897 3.897 3.644 0.253 RESID 138 (K): C 179.695 179.695 178.867 0.828 RESID 138 (K): CA 59.242 59.242 59.294 -0.052 RESID 138 (K): CB 32.309 32.309 32.087 0.222 RESID 138 (K): H 8.722 8.722 7.726 0.996 RESID 139 (T): N 116.244 116.244 114.818 1.426 RESID 139 (T): HA 4.120 4.120 3.919 0.201 RESID 139 (T): C 176.563 176.563 175.737 0.826 RESID 139 (T): CA 68.750 68.750 65.315 3.435 RESID 139 (T): CB 66.863 66.863 68.662 -1.799 RESID 139 (T): H 8.368 8.368 7.500 0.868 RESID 140 (A): N 124.310 124.310 122.989 1.321 RESID 140 (A): HA 3.884 3.884 3.802 0.082 RESID 140 (A): C 179.123 179.123 179.011 0.112 RESID 140 (A): CA 54.887 54.887 54.391 0.496 RESID 140 (A): CB 19.489 19.489 17.774 1.715 RESID 140 (A): H 8.207 8.207 7.227 0.980 RESID 141 (E): N 117.572 117.572 117.151 0.421 RESID 141 (E): HA 3.696 3.696 3.899 -0.203 RESID 141 (E): C 177.623 177.623 177.504 0.119 RESID 141 (E): CA 58.472 58.472 57.657 0.815 RESID 141 (E): CB 29.633 29.633 29.728 -0.095 RESID 141 (E): H 8.324 8.324 7.507 0.817 RESID 142 (G): N 103.520 103.520 107.335 -3.815 RESID 142 (G): C 173.480 173.480 172.824 0.656 RESID 142 (G): CA 44.841 44.841 44.275 0.566 RESID 142 (G): H 7.333 7.333 7.263 0.070 RESID 143 (A): N 124.154 124.154 123.484 0.670 RESID 143 (A): HA 4.475 4.475 4.748 -0.273 RESID 143 (A): C 177.290 177.290 175.790 1.500 RESID 143 (A): CA 50.615 50.615 51.348 -0.733 RESID 143 (A): CB 19.859 19.859 20.353 -0.494 RESID 143 (A): H 7.339 7.339 7.447 -0.108 RESID 144 (T): N 112.353 112.353 114.996 -2.643 RESID 144 (T): HA 4.431 4.431 4.603 -0.172 RESID 144 (T): C 174.105 174.105 173.186 0.919 RESID 144 (T): CA 60.634 60.634 58.955 1.679 RESID 144 (T): CB 67.394 67.394 69.024 -1.630 RESID 144 (T): H 8.116 8.116 8.023 0.093 RESID 145 (P): HA 3.914 3.914 4.300 -0.386 RESID 145 (P): C 179.300 179.300 177.181 2.119 RESID 145 (P): CA 66.875 66.875 64.230 2.645 RESID 145 (P): CB 32.327 32.327 31.597 0.730 RESID 146 (E): N 116.397 116.397 118.699 -2.302 RESID 146 (E): HA 4.178 4.178 4.173 0.005 RESID 146 (E): C 176.426 176.426 176.870 -0.444 RESID 146 (E): CA 58.746 58.746 57.822 0.923 RESID 146 (E): CB 28.347 28.347 30.246 -1.899 RESID 146 (E): H 9.340 9.340 7.630 1.710 RESID 147 (A): N 123.484 123.484 119.559 3.925 RESID 147 (A): HA 4.678 4.678 4.592 0.086 RESID 147 (A): C 177.808 177.808 176.361 1.447 RESID 147 (A): CA 52.028 52.028 52.528 -0.500 RESID 147 (A): CB 20.943 20.943 19.014 1.929 RESID 147 (A): H 7.984 7.984 8.163 -0.179 RESID 148 (K): N 120.663 120.663 121.680 -1.017 RESID 148 (K): HA 3.465 3.465 3.995 -0.530 RESID 148 (K): C 177.165 177.165 177.357 -0.192 RESID 148 (K): CA 61.675 61.675 58.815 2.860 RESID 148 (K): CB 33.075 33.075 32.234 0.841 RESID 148 (K): H 7.285 7.285 8.229 -0.944 RESID 149 (Y): N 118.061 118.061 119.385 -1.324 RESID 149 (Y): HA 4.059 4.059 4.290 -0.231 RESID 149 (Y): C 175.368 175.368 177.756 -2.388 RESID 149 (Y): CA 62.206 62.206 62.118 0.088 RESID 149 (Y): CB 37.386 37.386 37.899 -0.513 RESID 149 (Y): H 8.793 8.793 8.222 0.571 RESID 150 (D): N 118.180 118.180 119.178 -0.998 RESID 150 (D): HA 3.820 3.820 4.337 -0.517 RESID 150 (D): C 178.927 178.927 178.130 0.797 RESID 150 (D): CA 57.373 57.373 57.110 0.263 RESID 150 (D): CB 40.511 40.511 40.342 0.169 RESID 150 (D): H 8.442 8.442 8.122 0.320 RESID 152 (Y): HA 3.803 3.803 4.031 -0.228 RESID 152 (Y): C 176.950 176.950 177.576 -0.626 RESID 152 (Y): CA 62.480 62.480 59.661 2.819 RESID 152 (Y): CB 39.180 39.180 38.013 1.167 RESID 153 (V): N 116.500 116.500 117.885 -1.385 RESID 153 (V): HA 2.980 2.980 3.095 -0.115 RESID 153 (V): C 178.920 178.920 178.654 0.266 RESID 153 (V): CA 66.800 66.800 66.062 0.738 RESID 153 (V): CB 31.730 31.730 30.986 0.744 RESID 153 (V): H 8.126 8.126 8.041 0.085 RESID 154 (A): N 122.151 122.151 122.141 0.010 RESID 154 (A): HA 3.981 3.981 4.097 -0.116 RESID 154 (A): C 176.909 176.909 179.332 -2.423 RESID 154 (A): CA 55.037 55.037 55.147 -0.110 RESID 154 (A): CB 18.243 18.243 18.343 -0.100 RESID 154 (A): H 8.363 8.363 8.581 -0.218 RESID 155 (T): N 114.478 114.478 116.362 -1.884 RESID 155 (T): HA 3.807 3.807 4.038 -0.231 RESID 155 (T): C 176.582 176.582 175.965 0.617 RESID 155 (T): CA 66.731 66.731 67.259 -0.528 RESID 155 (T): CB 68.550 68.550 68.546 0.004 RESID 155 (T): H 7.590 7.590 8.159 -0.569 RESID 156 (L): N 122.590 122.590 121.858 0.732 RESID 156 (L): HA 3.873 3.873 3.966 -0.093 RESID 156 (L): CA 57.829 57.829 58.633 -0.804 RESID 156 (L): CB 42.149 42.149 41.551 0.598 RESID 156 (L): H 8.449 8.449 7.422 1.027 RESID 157 (S): N 112.486 112.486 112.752 -0.266 RESID 157 (S): HA 3.873 3.873 4.080 -0.207 RESID 157 (S): C 177.485 177.485 176.774 0.711 RESID 157 (S): CA 62.556 62.556 61.651 0.905 RESID 157 (S): CB 61.390 61.390 62.032 -0.642 RESID 157 (S): H 8.705 8.705 8.237 0.468 RESID 158 (E): N 121.019 121.019 122.771 -1.752 RESID 158 (E): HA 4.124 4.124 4.102 0.022 RESID 158 (E): C 177.558 177.558 178.123 -0.565 RESID 158 (E): CA 58.615 58.615 59.265 -0.650 RESID 158 (E): CB 29.232 29.232 29.373 -0.141 RESID 158 (E): H 7.408 7.408 7.714 -0.306 RESID 159 (A): N 120.731 120.731 121.299 -0.568 RESID 159 (A): HA 4.121 4.121 4.255 -0.134 RESID 159 (A): C 181.006 181.006 180.396 0.610 RESID 159 (A): CA 55.181 55.181 54.609 0.572 RESID 159 (A): CB 18.546 18.546 18.539 0.007 RESID 159 (A): H 7.803 7.803 7.890 -0.087 RESID 160 (L): N 116.637 116.637 120.988 -4.351 RESID 160 (L): HA 3.901 3.901 4.217 -0.316 RESID 160 (L): C 179.216 179.216 177.899 1.317 RESID 160 (L): CA 57.843 57.843 57.522 0.321 RESID 160 (L): CB 41.050 41.050 41.957 -0.907 RESID 160 (L): H 8.670 8.670 8.316 0.354 RESID 161 (R): N 121.986 121.986 119.846 2.140 RESID 161 (R): HA 3.908 3.908 4.057 -0.149 RESID 161 (R): C 179.790 179.790 179.187 0.603 RESID 161 (R): CA 59.657 59.657 59.405 0.252 RESID 161 (R): CB 29.935 29.935 30.111 -0.176 RESID 161 (R): H 7.914 7.914 8.507 -0.593 RESID 162 (I): N 120.810 120.810 120.330 0.480 RESID 162 (I): HA 3.683 3.683 3.838 -0.155 RESID 162 (I): C 179.685 179.685 177.785 1.900 RESID 162 (I): CA 64.321 64.321 64.245 0.076 RESID 162 (I): CB 37.832 37.832 38.071 -0.239 RESID 162 (I): H 7.895 7.895 7.631 0.264 RESID 163 (I): HA 3.560 3.560 3.805 -0.245 RESID 163 (I): CA 65.367 65.367 64.163 1.204 RESID 163 (I): CB 38.510 38.510 37.875 0.635 RESID 164 (A): N 121.450 121.450 120.829 0.621 RESID 164 (A): HA 3.938 3.938 4.173 -0.235 RESID 164 (A): C 179.920 179.920 178.438 1.482 RESID 164 (A): CA 55.090 55.090 54.049 1.041 RESID 164 (A): CB 18.170 18.170 18.478 -0.308 RESID 164 (A): H 8.525 8.525 7.523 1.002 RESID 165 (G): N 104.876 104.876 104.622 0.254 RESID 165 (G): C 175.831 175.831 175.177 0.654 RESID 165 (G): CA 46.602 46.602 45.952 0.650 RESID 165 (G): H 7.921 7.921 8.157 -0.236 RESID 166 (T): N 111.734 111.734 113.844 -2.110 RESID 166 (T): HA 4.306 4.306 4.437 -0.131 RESID 166 (T): C 175.095 175.095 175.466 -0.371 RESID 166 (T): CA 63.000 63.000 62.706 0.294 RESID 166 (T): CB 69.795 69.795 69.880 -0.085 RESID 166 (T): H 7.786 7.786 7.407 0.379 RESID 167 (L): N 121.291 121.291 120.792 0.499 RESID 167 (L): HA 4.262 4.262 4.396 -0.134 RESID 167 (L): C 177.004 177.004 176.248 0.756 RESID 167 (L): CA 55.040 55.040 55.172 -0.132 RESID 167 (L): CB 42.292 42.292 42.493 -0.201 RESID 167 (L): H 7.456 7.456 7.437 0.019 RESID 168 (E): N 119.686 119.686 119.528 0.158 RESID 168 (E): HA 4.151 4.151 4.531 -0.380 RESID 168 (E): C 176.001 176.001 175.592 0.409 RESID 168 (E): CA 56.210 56.210 55.857 0.353 RESID 168 (E): CB 30.242 30.242 29.344 0.898 RESID 168 (E): H 7.840 7.840 8.049 -0.209 RESID 169 (V): N 120.922 120.922 119.804 1.118 RESID 169 (V): HA 3.979 3.979 4.312 -0.333 RESID 169 (V): C 175.876 175.876 173.746 2.130 RESID 169 (V): CA 56.270 56.270 61.262 -4.992 RESID 169 (V): H 8.060 8.060 7.913 0.147 RESID 170 (H): N 122.829 122.829 123.395 -0.566 RESID 170 (H): HA 4.626 4.626 4.967 -0.341 RESID 170 (H): C 174.023 174.023 173.213 0.810 RESID 170 (H): CA 55.025 55.025 55.670 -0.645 RESID 170 (H): CB 29.661 29.661 31.676 -2.015 RESID 170 (H): H 8.560 8.560 8.011 0.549 RESID 171 (A): N 125.857 125.857 124.220 1.637 RESID 171 (A): HA 4.206 4.206 4.278 -0.072 RESID 171 (A): C 177.398 177.398 177.352 0.046 RESID 171 (A): CA 52.300 52.300 52.274 0.026 RESID 171 (A): CB 18.300 18.300 19.652 -1.352 RESID 171 (A): H 8.393 8.393 8.497 -0.104 RESID 172 (V): N 120.329 120.329 119.122 1.207 RESID 172 (V): HA 4.011 4.011 3.822 0.189 RESID 172 (V): C 175.833 175.833 176.387 -0.554 RESID 172 (V): CA 61.923 61.923 64.653 -2.730 RESID 172 (V): CB 32.550 32.550 31.776 0.774 RESID 172 (V): H 8.238 8.238 8.145 0.093 RESID 173 (K): N 127.029 127.029 117.555 9.474 RESID 173 (K): C 174.205 174.205 174.321 -0.116 RESID 173 (K): CA 54.059 54.059 55.678 -1.619 RESID 173 (K): CB 32.437 32.437 32.501 -0.064 RESID 173 (K): H 8.442 8.442 7.892 0.550 RESID 174 (P): HA 4.322 4.322 4.481 -0.159 RESID 174 (P): CA 63.140 63.140 63.445 -0.305 RESID 174 (P): CB 32.320 32.320 32.463 -0.143 RESID 175 (A): N 125.330 125.330 125.183 0.147 RESID 175 (A): HA 4.189 4.189 4.422 -0.233 RESID 175 (A): C 178.296 178.296 176.356 1.940 RESID 175 (A): CA 53.043 53.043 51.554 1.489 RESID 175 (A): CB 19.376 19.376 20.399 -1.023 RESID 175 (A): H 8.430 8.430 8.017 0.413 RESID 176 (A): N 123.143 123.143 123.703 -0.560 RESID 176 (A): HA 4.204 4.204 4.446 -0.242 RESID 176 (A): C 177.718 177.718 177.518 0.200 RESID 176 (A): CA 52.432 52.432 51.784 0.648 RESID 176 (A): CB 19.500 19.500 19.376 0.124 RESID 176 (A): H 8.326 8.326 8.263 0.063 RESID 177 (E): N 119.752 119.752 120.090 -0.338 RESID 177 (E): HA 4.142 4.142 4.109 0.033 RESID 177 (E): C 176.350 176.350 175.638 0.712 RESID 177 (E): CA 56.302 56.302 56.488 -0.186 RESID 177 (E): CB 30.333 30.333 30.127 0.206 RESID 177 (E): H 8.354 8.354 8.424 -0.070 RESID 178 (E): N 122.557 122.557 118.627 3.930 RESID 178 (E): HA 4.193 4.193 4.481 -0.288 RESID 178 (E): C 176.260 176.260 174.844 1.416 RESID 178 (E): CA 56.307 56.307 55.924 0.383 RESID 178 (E): CB 30.542 30.542 29.966 0.576 RESID 178 (E): H 8.395 8.395 8.618 -0.223 RESID 179 (V): N 122.787 122.787 121.463 1.324 RESID 179 (V): HA 3.983 3.983 4.281 -0.298 RESID 179 (V): C 175.871 175.871 175.120 0.751 RESID 179 (V): CA 62.225 62.225 61.866 0.359 RESID 179 (V): CB 32.459 32.459 33.121 -0.662 RESID 179 (V): H 8.232 8.232 8.021 0.211 RESID 180 (K): N 126.356 126.356 126.394 -0.038 RESID 180 (K): HA 4.315 4.315 4.606 -0.291 RESID 180 (K): C 176.090 176.090 175.554 0.536 RESID 180 (K): CA 55.880 55.880 54.798 1.082 RESID 180 (K): CB 33.000 33.000 35.152 -2.152 RESID 180 (K): H 8.427 8.427 8.200 0.227 RESID 181 (V): N 122.752 122.752 122.472 0.280 RESID 181 (V): HA 4.043 4.043 4.095 -0.052 RESID 181 (V): C 175.754 175.754 175.710 0.044 RESID 181 (V): CA 61.803 61.803 63.664 -1.861 RESID 181 (V): CB 33.155 33.155 31.944 1.211 RESID 181 (V): H 8.244 8.244 8.386 -0.142 RESID 182 (I): N 127.826 127.826 124.380 3.446 RESID 182 (I): C 174.257 174.257 175.009 -0.752 RESID 182 (I): CA 58.244 58.244 58.496 -0.252 RESID 182 (I): CB 38.555 38.555 38.184 0.371 RESID 182 (I): H 8.388 8.388 8.309 0.079 RESID 183 (P): HA 4.330 4.330 4.511 -0.181 RESID 183 (P): C 176.700 176.700 177.058 -0.358 RESID 183 (P): CA 63.230 63.230 63.942 -0.712 RESID 183 (P): CB 32.380 32.380 31.671 0.709 RESID 184 (A): N 124.690 124.690 121.434 3.256 RESID 184 (A): HA 4.193 4.193 4.198 -0.005 RESID 184 (A): C 178.758 178.758 178.856 -0.098 RESID 184 (A): CA 53.320 53.320 53.418 -0.098 RESID 184 (A): CB 19.340 19.340 19.023 0.317 RESID 184 (A): H 8.485 8.485 7.891 0.594 RESID 185 (G): N 107.324 107.324 104.955 2.369 RESID 185 (G): C 174.758 174.758 173.756 1.002 RESID 185 (G): CA 45.717 45.717 44.251 1.466 RESID 185 (G): H 8.527 8.527 7.526 1.001 RESID 186 (E): N 120.410 120.410 116.237 4.173 RESID 186 (E): HA 4.170 4.170 4.072 0.098 RESID 186 (E): C 177.470 177.470 178.127 -0.657 RESID 186 (E): CA 57.890 57.890 58.485 -0.595 RESID 186 (E): CB 30.180 30.180 28.743 1.437 RESID 186 (E): H 8.262 8.262 8.680 -0.418 RESID 187 (L): N 121.652 121.652 120.206 1.446 RESID 187 (L): HA 4.140 4.140 4.232 -0.092 RESID 187 (L): C 178.002 178.002 178.439 -0.437 RESID 187 (L): CA 56.458 56.458 57.352 -0.894 RESID 187 (L): CB 42.056 42.056 41.704 0.352 RESID 187 (L): H 8.247 8.247 8.153 0.094 RESID 188 (Q): N 119.063 119.063 119.021 0.042 RESID 188 (Q): HA 4.205 4.205 4.040 0.165 RESID 188 (Q): C 177.544 177.544 178.221 -0.677 RESID 188 (Q): CA 57.584 57.584 58.677 -1.093 RESID 188 (Q): CB 28.421 28.421 28.242 0.179 RESID 188 (Q): H 8.377 8.377 8.676 -0.299 RESID 189 (V): N 118.808 118.808 121.354 -2.546 RESID 189 (V): HA 3.680 3.680 3.727 -0.047 RESID 189 (V): C 177.439 177.439 177.427 0.012 RESID 189 (V): CA 65.376 65.376 66.139 -0.763 RESID 189 (V): CB 31.970 31.970 31.233 0.737 RESID 189 (V): H 7.872 7.872 7.764 0.108 RESID 190 (I): N 120.522 120.522 117.730 2.792 RESID 190 (I): HA 3.694 3.694 3.771 -0.077 RESID 190 (I): C 177.364 177.364 178.081 -0.717 RESID 190 (I): CA 63.323 63.323 63.395 -0.072 RESID 190 (I): CB 36.643 36.643 35.892 0.751 RESID 190 (I): H 8.119 8.119 7.841 0.278 RESID 191 (E): N 120.185 120.185 120.495 -0.310 RESID 191 (E): HA 4.141 4.141 4.037 0.104 RESID 191 (E): C 179.310 179.310 179.395 -0.085 RESID 191 (E): CA 59.756 59.756 59.604 0.152 RESID 191 (E): CB 29.276 29.276 28.896 0.380 RESID 191 (E): H 8.175 8.175 7.928 0.247 RESID 192 (K): N 118.771 118.771 119.658 -0.887 RESID 192 (K): HA 4.211 4.211 4.057 0.154 RESID 192 (K): C 178.933 178.933 179.245 -0.312 RESID 192 (K): CA 58.020 58.020 58.964 -0.944 RESID 192 (K): CB 31.710 31.710 32.267 -0.557 RESID 192 (K): H 7.720 7.720 7.653 0.067 RESID 193 (V): N 121.979 121.979 120.282 1.697 RESID 193 (V): HA 3.537 3.537 3.625 -0.088 RESID 193 (V): C 176.912 176.912 178.097 -1.185 RESID 193 (V): CA 66.974 66.974 66.958 0.016 RESID 193 (V): CB 31.451 31.451 31.448 0.003 RESID 193 (V): H 8.336 8.336 7.663 0.673 RESID 194 (D): N 121.596 121.596 119.501 2.095 RESID 194 (D): HA 4.396 4.396 4.438 -0.042 RESID 194 (D): C 178.097 178.097 178.434 -0.337 RESID 194 (D): CA 57.899 57.899 57.398 0.501 RESID 194 (D): CB 41.740 41.740 40.203 1.537 RESID 194 (D): H 8.588 8.588 7.882 0.706 RESID 195 (A): N 119.998 119.998 120.750 -0.752 RESID 195 (A): HA 4.101 4.101 4.441 -0.340 RESID 195 (A): C 180.638 180.638 179.189 1.449 RESID 195 (A): CA 55.393 55.393 54.104 1.289 RESID 195 (A): CB 17.915 17.915 18.523 -0.608 RESID 195 (A): H 7.834 7.834 7.405 0.429 RESID 196 (A): N 121.520 121.520 121.631 -0.111 RESID 196 (A): HA 4.043 4.043 4.399 -0.356 RESID 196 (A): C 178.986 178.986 178.998 -0.012 RESID 196 (A): CA 54.730 54.730 54.047 0.683 RESID 196 (A): CB 19.220 19.220 18.643 0.577 RESID 196 (A): H 8.198 8.198 8.451 -0.253 RESID 197 (F): N 120.035 120.035 119.353 0.682 RESID 197 (F): HA 3.861 3.861 4.359 -0.498 RESID 197 (F): C 176.055 176.055 177.031 -0.976 RESID 197 (F): CA 61.833 61.833 61.616 0.217 RESID 197 (F): CB 39.090 39.090 39.743 -0.653 RESID 197 (F): H 9.092 9.092 8.429 0.663 RESID 198 (K): N 118.265 118.265 119.651 -1.386 RESID 198 (K): HA 3.815 3.815 3.942 -0.127 RESID 198 (K): C 180.112 180.112 178.389 1.723 RESID 198 (K): CA 59.826 59.826 60.350 -0.524 RESID 198 (K): CB 32.347 32.347 32.358 -0.011 RESID 198 (K): H 7.863 7.863 7.790 0.073 RESID 199 (V): N 119.799 119.799 117.946 1.853 RESID 199 (V): HA 3.623 3.623 3.696 -0.073 RESID 199 (V): C 178.666 178.666 177.533 1.133 RESID 199 (V): CA 66.074 66.074 65.334 0.740 RESID 199 (V): CB 31.831 31.831 31.530 0.301 RESID 199 (V): H 7.580 7.580 7.975 -0.395 RESID 200 (A): N 125.339 125.339 121.681 3.658 RESID 200 (A): HA 3.635 3.635 4.114 -0.479 RESID 200 (A): C 178.388 178.388 178.826 -0.438 RESID 200 (A): CA 54.843 54.843 54.156 0.688 RESID 200 (A): CB 18.830 18.830 18.333 0.497 RESID 200 (A): H 8.166 8.166 7.418 0.748 RESID 201 (A): N 120.805 120.805 121.189 -0.384 RESID 201 (A): HA 4.000 4.000 3.979 0.021 RESID 201 (A): C 180.740 180.740 179.284 1.456 RESID 201 (A): CA 54.550 54.550 55.013 -0.463 RESID 201 (A): CB 18.124 18.124 18.367 -0.243 RESID 201 (A): H 7.386 7.386 7.924 -0.538 RESID 202 (T): N 114.816 114.816 113.634 1.182 RESID 202 (T): HA 4.200 4.200 4.096 0.104 RESID 202 (T): C 175.840 175.840 176.087 -0.247 RESID 202 (T): CA 60.920 60.920 65.356 -4.436 RESID 202 (T): CB 62.070 62.070 68.737 -6.667 RESID 202 (T): H 8.322 8.322 8.332 -0.010 RESID 203 (A): N 124.550 124.550 123.211 1.339 RESID 203 (A): HA 3.989 3.989 4.096 -0.107 RESID 203 (A): C 180.575 180.575 178.708 1.867 RESID 203 (A): CA 55.042 55.042 54.489 0.553 RESID 203 (A): CB 17.675 17.675 18.006 -0.331 RESID 203 (A): H 7.592 7.592 7.833 -0.241 RESID 204 (A): N 121.361 121.361 118.886 2.475 RESID 204 (A): HA 4.187 4.187 4.064 0.123 RESID 204 (A): C 179.867 179.867 179.170 0.697 RESID 204 (A): CA 55.224 55.224 53.773 1.451 RESID 204 (A): CB 18.791 18.791 19.110 -0.319 RESID 204 (A): H 8.758 8.758 7.800 0.958 RESID 205 (N): N 115.185 115.185 118.878 -3.693 RESID 205 (N): HA 4.189 4.189 4.369 -0.180 RESID 205 (N): C 175.555 175.555 176.996 -1.441 RESID 205 (N): CA 56.410 56.410 55.265 1.145 RESID 205 (N): CB 39.066 39.066 38.005 1.061 RESID 205 (N): H 8.220 8.220 8.188 0.032 RESID 206 (A): N 117.946 117.946 121.144 -3.198 RESID 206 (A): HA 4.270 4.270 4.176 0.094 RESID 206 (A): C 176.827 176.827 176.828 -0.001 RESID 206 (A): CA 56.138 56.138 53.129 3.009 RESID 206 (A): CB 18.200 18.200 18.804 -0.604 RESID 206 (A): H 6.965 6.965 7.612 -0.647 RESID 207 (A): N 122.916 122.916 121.650 1.266 RESID 207 (A): HA 4.600 4.600 4.732 -0.132 RESID 207 (A): C 174.478 174.478 174.792 -0.314 RESID 207 (A): CA 50.196 50.196 48.976 1.220 RESID 207 (A): CB 18.287 18.287 19.371 -1.084 RESID 207 (A): H 7.240 7.240 7.336 -0.096 RESID 208 (P): HA 4.373 4.373 4.454 -0.081 RESID 208 (P): C 177.440 177.440 177.152 0.288 RESID 208 (P): CA 62.600 62.600 62.383 0.217 RESID 208 (P): CB 32.243 32.243 32.629 -0.386 RESID 209 (A): N 122.883 122.883 120.484 2.399 RESID 209 (A): HA 3.726 3.726 3.898 -0.172 RESID 209 (A): C 179.474 179.474 176.661 2.813 RESID 209 (A): CA 56.155 56.155 53.065 3.090 RESID 209 (A): CB 19.099 19.099 17.083 2.016 RESID 209 (A): H 8.620 8.620 8.421 0.199 RESID 210 (N): N 113.093 113.093 116.876 -3.783 RESID 210 (N): HA 4.519 4.519 4.780 -0.261 RESID 210 (N): C 176.000 176.000 175.199 0.801 RESID 210 (N): CA 55.226 55.226 53.665 1.561 RESID 210 (N): CB 38.057 38.057 40.666 -2.609 RESID 210 (N): H 8.933 8.933 8.254 0.679 RESID 211 (D): N 117.648 117.648 120.582 -2.934 RESID 211 (D): HA 5.050 5.050 5.014 0.036 RESID 211 (D): C 175.953 175.953 174.485 1.468 RESID 211 (D): CA 54.110 54.110 54.226 -0.116 RESID 211 (D): CB 42.936 42.936 41.562 1.374 RESID 211 (D): H 8.111 8.111 7.861 0.250 RESID 212 (K): N 118.713 118.713 121.019 -2.306 RESID 212 (K): HA 3.324 3.324 4.374 -1.050 RESID 212 (K): C 177.524 177.524 177.155 0.369 RESID 212 (K): CA 61.984 61.984 56.957 5.027 RESID 212 (K): CB 32.789 32.789 34.008 -1.218 RESID 212 (K): H 7.145 7.145 8.634 -1.489 RESID 213 (F): N 113.700 113.700 120.825 -7.125 RESID 213 (F): HA 4.087 4.087 4.251 -0.164 RESID 213 (F): C 178.141 178.141 177.329 0.812 RESID 213 (F): CA 62.473 62.473 62.301 0.172 RESID 213 (F): CB 38.303 38.303 37.847 0.456 RESID 213 (F): H 8.026 8.026 8.524 -0.498 RESID 214 (T): N 115.378 115.378 115.577 -0.199 RESID 214 (T): C 178.124 178.124 176.708 1.416 RESID 214 (T): CA 65.503 65.503 66.698 -1.196 RESID 214 (T): CB 68.803 68.803 68.486 0.317 RESID 214 (T): H 7.917 7.917 8.331 -0.414 RESID 215 (V): N 122.692 122.692 120.817 1.875 RESID 215 (V): HA 3.659 3.659 3.672 -0.013 RESID 215 (V): C 177.771 177.771 177.117 0.654 RESID 215 (V): CA 66.361 66.361 65.777 0.584 RESID 215 (V): CB 31.360 31.360 31.491 -0.131 RESID 215 (V): H 8.430 8.430 7.796 0.634 RESID 216 (F): N 119.847 119.847 121.750 -1.903 RESID 216 (F): HA 3.799 3.799 4.017 -0.218 RESID 216 (F): C 176.989 176.989 176.736 0.253 RESID 216 (F): CA 62.705 62.705 61.974 0.731 RESID 216 (F): CB 39.327 39.327 39.115 0.212 RESID 216 (F): H 8.651 8.651 7.811 0.840 RESID 217 (E): N 117.144 117.144 118.590 -1.446 RESID 217 (E): HA 3.863 3.863 4.025 -0.162 RESID 217 (E): C 177.894 177.894 178.721 -0.827 RESID 217 (E): CA 61.877 61.877 59.103 2.774 RESID 217 (E): CB 30.062 30.062 29.031 1.031 RESID 217 (E): H 8.650 8.650 8.924 -0.274 RESID 218 (A): N 119.130 119.130 122.616 -3.486 RESID 218 (A): HA 4.213 4.213 4.227 -0.014 RESID 218 (A): C 180.238 180.238 179.400 0.838 RESID 218 (A): CA 55.118 55.118 54.471 0.647 RESID 218 (A): CB 18.020 18.020 18.515 -0.495 RESID 218 (A): H 7.759 7.759 7.486 0.273 RESID 219 (A): N 119.419 119.419 121.468 -2.049 RESID 219 (A): HA 4.146 4.146 3.995 0.151 RESID 219 (A): C 180.499 180.499 179.500 0.999 RESID 219 (A): CA 54.530 54.530 54.438 0.092 RESID 219 (A): CB 18.890 18.890 18.619 0.271 RESID 219 (A): H 8.475 8.475 8.349 0.126 RESID 220 (F): N 120.754 120.754 118.916 1.838 RESID 220 (F): HA 4.196 4.196 3.883 0.313 RESID 220 (F): C 177.427 177.427 177.093 0.334 RESID 220 (F): CA 58.832 58.832 61.886 -3.054 RESID 220 (F): CB 39.740 39.740 38.412 1.328 RESID 220 (F): H 9.026 9.026 8.619 0.407 RESID 221 (N): N 116.941 116.941 115.913 1.028 RESID 221 (N): HA 4.390 4.390 4.516 -0.126 RESID 221 (N): CA 56.230 56.230 55.466 0.764 RESID 221 (N): CB 37.995 37.995 38.521 -0.526 RESID 221 (N): H 8.485 8.485 7.761 0.724 RESID 222 (D): N 119.493 119.493 120.658 -1.165 RESID 222 (D): HA 4.366 4.366 4.540 -0.174 RESID 222 (D): C 178.832 178.832 178.034 0.798 RESID 222 (D): CA 57.697 57.697 57.004 0.693 RESID 222 (D): CB 40.537 40.537 41.059 -0.522 RESID 222 (D): H 8.283 8.283 8.113 0.170 RESID 223 (A): N 122.201 122.201 121.243 0.958 RESID 223 (A): HA 4.138 4.138 4.047 0.091 RESID 223 (A): CA 54.892 54.892 54.523 0.369 RESID 223 (A): CB 18.251 18.251 18.361 -0.110 RESID 223 (A): H 8.175 8.175 8.194 -0.019 RESID 224 (I): N 122.960 122.960 116.807 6.153 RESID 224 (I): HA 3.396 3.396 3.799 -0.403 RESID 224 (I): C 178.030 178.030 177.324 0.706 RESID 224 (I): CA 65.320 65.320 63.663 1.657 RESID 224 (I): CB 38.150 38.150 38.179 -0.029 RESID 224 (I): H 8.525 8.525 7.232 1.293 RESID 225 (K): N 124.150 124.150 121.240 2.910 RESID 225 (K): HA 4.130 4.130 3.929 0.201 RESID 225 (K): C 179.190 179.190 178.894 0.296 RESID 225 (K): CA 58.594 58.594 59.521 -0.927 RESID 225 (K): CB 32.489 32.489 32.460 0.029 RESID 225 (K): H 8.457 8.457 7.537 0.920 RESID 226 (A): N 119.804 119.804 121.009 -1.205 RESID 226 (A): HA 4.128 4.128 4.000 0.128 RESID 226 (A): C 181.843 181.843 179.565 2.278 RESID 226 (A): CA 55.012 55.012 55.270 -0.258 RESID 226 (A): CB 18.473 18.473 18.268 0.205 RESID 226 (A): H 8.191 8.191 8.384 -0.193 RESID 227 (S): N 113.402 113.402 112.932 0.470 RESID 227 (S): HA 4.350 4.350 4.120 0.230 RESID 227 (S): C 176.071 176.071 176.659 -0.588 RESID 227 (S): CA 61.259 61.259 61.034 0.225 RESID 227 (S): CB 63.414 63.414 63.004 0.410 RESID 227 (S): H 8.568 8.568 8.026 0.542 RESID 228 (T): N 109.170 109.170 109.753 -0.583 RESID 228 (T): HA 4.605 4.605 4.029 0.576 RESID 228 (T): CA 61.453 61.453 62.976 -1.523 RESID 228 (T): CB 69.732 69.732 69.031 0.701 RESID 228 (T): H 7.804 7.804 7.578 0.226 RESID 229 (G): N 113.451 113.451 110.238 3.213 RESID 229 (G): C 178.132 178.132 175.580 2.552 RESID 229 (G): CA 47.149 47.149 44.672 2.477 RESID 229 (G): H 7.988 7.988 7.293 0.695 RESID 230 (G): N 105.298 105.298 108.071 -2.773 RESID 230 (G): C 173.856 173.856 174.712 -0.856 RESID 230 (G): CA 44.492 44.492 45.480 -0.988 RESID 230 (G): H 8.792 8.792 8.366 0.426 RESID 231 (A): N 122.893 122.893 123.469 -0.576 RESID 231 (A): HA 3.777 3.777 4.482 -0.705 RESID 231 (A): C 177.041 177.041 178.439 -1.398 RESID 231 (A): CA 54.513 54.513 52.839 1.674 RESID 231 (A): CB 18.998 18.998 19.389 -0.391 RESID 231 (A): H 7.467 7.467 7.412 0.055 RESID 232 (Y): N 112.629 112.629 114.975 -2.346 RESID 232 (Y): HA 4.396 4.396 4.144 0.252 RESID 232 (Y): C 174.659 174.659 175.044 -0.385 RESID 232 (Y): CA 55.932 55.932 59.987 -4.055 RESID 232 (Y): CB 39.848 39.848 37.052 2.796 RESID 232 (Y): H 7.332 7.332 8.750 -1.418 RESID 233 (E): N 117.684 117.684 119.252 -1.568 RESID 233 (E): HA 3.790 3.790 4.052 -0.262 RESID 233 (E): C 174.348 174.348 176.461 -2.113 RESID 233 (E): CA 57.064 57.064 57.319 -0.256 RESID 233 (E): CB 30.734 30.734 28.834 1.900 RESID 233 (E): H 7.995 7.995 8.106 -0.111 RESID 234 (S): N 107.099 107.099 114.433 -7.334 RESID 234 (S): HA 4.495 4.495 4.313 0.182 RESID 234 (S): C 175.141 175.141 174.037 1.104 RESID 234 (S): CA 55.872 55.872 59.728 -3.856 RESID 234 (S): CB 64.988 64.988 63.522 1.466 RESID 234 (S): H 7.318 7.318 8.449 -1.131 RESID 235 (Y): N 119.162 119.162 120.673 -1.511 RESID 235 (Y): HA 4.093 4.093 4.912 -0.819 RESID 235 (Y): C 175.305 175.305 175.471 -0.166 RESID 235 (Y): CA 59.694 59.694 58.200 1.494 RESID 235 (Y): CB 37.650 37.650 39.110 -1.460 RESID 235 (Y): H 8.629 8.629 8.664 -0.035 RESID 236 (K): N 118.163 118.163 119.325 -1.162 RESID 236 (K): HA 3.573 3.573 3.998 -0.425 RESID 236 (K): C 176.427 176.427 175.346 1.081 RESID 236 (K): CA 58.000 58.000 56.778 1.222 RESID 236 (K): CB 31.520 31.520 31.139 0.381 RESID 236 (K): H 7.384 7.384 8.745 -1.361 RESID 237 (F): N 115.377 115.377 114.362 1.015 RESID 237 (F): HA 4.433 4.433 4.501 -0.068 RESID 237 (F): C 174.114 174.114 173.689 0.425 RESID 237 (F): CA 57.852 57.852 56.483 1.369 RESID 237 (F): CB 39.745 39.745 39.555 0.190 RESID 237 (F): H 7.258 7.258 6.943 0.315 RESID 238 (I): N 120.764 120.764 116.542 4.222 RESID 238 (I): HA 4.409 4.409 4.473 -0.064 RESID 238 (I): CA 58.300 58.300 58.026 0.274 RESID 238 (I): CB 38.600 38.600 39.127 -0.527 RESID 238 (I): H 7.389 7.389 7.146 0.243 RESID 239 (P): HA 4.306 4.306 4.398 -0.092 RESID 239 (P): C 178.950 178.950 177.827 1.123 RESID 239 (P): CA 66.670 66.670 63.445 3.225 RESID 239 (P): CB 32.190 32.190 31.779 0.411 RESID 240 (A): N 118.854 118.854 125.216 -6.362 RESID 240 (A): HA 4.134 4.134 3.975 0.159 RESID 240 (A): CA 55.031 55.031 53.769 1.262 RESID 240 (A): CB 18.841 18.841 17.425 1.416 RESID 240 (A): H 9.101 9.101 8.547 0.554 RESID 241 (L): N 118.846 118.846 121.728 -2.882 RESID 241 (L): HA 4.250 4.250 3.966 0.284 RESID 241 (L): C 177.407 177.407 178.295 -0.888 RESID 241 (L): CA 56.333 56.333 57.591 -1.258 RESID 241 (L): CB 42.390 42.390 42.015 0.375 RESID 241 (L): H 7.731 7.731 7.493 0.238 RESID 242 (E): N 122.048 122.048 118.598 3.450 RESID 242 (E): HA 3.961 3.961 3.971 -0.010 RESID 242 (E): C 178.465 178.465 178.585 -0.120 RESID 242 (E): CA 60.820 60.820 59.372 1.448 RESID 242 (E): CB 28.886 28.886 28.750 0.136 RESID 242 (E): H 8.705 8.705 8.223 0.482 RESID 243 (A): N 118.880 118.880 121.705 -2.825 RESID 243 (A): HA 4.038 4.038 4.149 -0.111 RESID 243 (A): C 179.841 179.841 179.334 0.507 RESID 243 (A): CA 54.930 54.930 54.444 0.486 RESID 243 (A): CB 17.700 17.700 18.010 -0.310 RESID 243 (A): H 8.105 8.105 7.554 0.551 RESID 244 (A): N 121.399 121.399 122.715 -1.316 RESID 244 (A): HA 4.037 4.037 3.913 0.124 RESID 244 (A): C 179.839 179.839 179.691 0.148 RESID 244 (A): CA 55.418 55.418 55.192 0.226 RESID 244 (A): H 7.491 7.491 8.191 -0.700 RESID 245 (V): N 120.239 120.239 118.612 1.627 RESID 245 (V): HA 3.382 3.382 3.556 -0.174 RESID 245 (V): C 177.909 177.909 178.063 -0.154 RESID 245 (V): CA 67.163 67.163 66.420 0.743 RESID 245 (V): CB 31.790 31.790 31.248 0.542 RESID 245 (V): H 8.612 8.612 7.711 0.901 RESID 246 (K): N 119.270 119.270 120.127 -0.857 RESID 246 (K): HA 4.165 4.165 3.966 0.199 RESID 246 (K): C 180.603 180.603 179.150 1.453 RESID 246 (K): CA 60.553 60.553 59.641 0.912 RESID 246 (K): CB 31.828 31.828 32.252 -0.424 RESID 246 (K): H 8.366 8.366 7.483 0.883 RESID 247 (Q): N 120.085 120.085 118.470 1.615 RESID 247 (Q): HA 4.055 4.055 4.052 0.003 RESID 247 (Q): C 178.255 178.255 178.572 -0.317 RESID 247 (Q): CA 58.524 58.524 58.629 -0.105 RESID 247 (Q): CB 28.234 28.234 28.918 -0.684 RESID 247 (Q): H 8.302 8.302 8.537 -0.235 RESID 248 (A): N 125.463 125.463 122.834 2.629 RESID 248 (A): HA 3.877 3.877 4.049 -0.172 RESID 248 (A): C 179.700 179.700 179.588 0.112 RESID 248 (A): CA 55.253 55.253 55.151 0.102 RESID 248 (A): CB 18.658 18.658 18.097 0.561 RESID 248 (A): H 8.194 8.194 8.236 -0.042 RESID 249 (Y): N 116.381 116.381 119.542 -3.161 RESID 249 (Y): HA 4.300 4.300 4.497 -0.197 RESID 249 (Y): C 180.993 180.993 177.089 3.904 RESID 249 (Y): CA 63.361 63.361 61.400 1.961 RESID 249 (Y): CB 38.068 38.068 38.963 -0.895 RESID 249 (Y): H 8.686 8.686 8.972 -0.286 RESID 250 (A): N 124.956 124.956 120.002 4.954 RESID 250 (A): HA 4.161 4.161 4.388 -0.227 RESID 250 (A): C 179.621 179.621 177.839 1.782 RESID 250 (A): CA 55.220 55.220 53.198 2.022 RESID 250 (A): CB 17.500 17.500 18.497 -0.997 RESID 250 (A): H 8.448 8.448 7.697 0.751 RESID 251 (A): N 119.409 119.409 121.191 -1.782 RESID 251 (A): HA 4.163 4.163 4.268 -0.105 RESID 251 (A): C 178.588 178.588 178.983 -0.395 RESID 251 (A): CA 55.206 55.206 53.851 1.355 RESID 251 (A): CB 17.804 17.804 19.672 -1.869 RESID 251 (A): H 7.649 7.649 7.884 -0.235 RESID 252 (T): N 106.194 106.194 112.036 -5.842 RESID 252 (T): HA 4.392 4.392 3.808 0.584 RESID 252 (T): C 176.679 176.679 175.972 0.707 RESID 252 (T): CA 62.376 62.376 64.765 -2.389 RESID 252 (T): CB 70.838 70.838 69.224 1.614 RESID 252 (T): H 7.806 7.806 7.917 -0.111 RESID 253 (V): N 121.805 121.805 119.436 2.369 RESID 253 (V): HA 3.754 3.754 3.333 0.421 RESID 253 (V): C 176.213 176.213 177.104 -0.891 RESID 253 (V): CA 65.339 65.339 65.157 0.182 RESID 253 (V): CB 31.971 31.971 30.573 1.398 RESID 253 (V): H 7.173 7.173 8.191 -1.018 RESID 254 (A): N 122.834 122.834 120.278 2.556 RESID 254 (A): HA 4.457 4.457 4.426 0.031 RESID 254 (A): C 177.007 177.007 176.236 0.771 RESID 254 (A): CA 51.859 51.859 52.642 -0.783 RESID 254 (A): CB 18.494 18.494 20.637 -2.143 RESID 254 (A): H 8.542 8.542 7.990 0.552 RESID 255 (T): N 114.241 114.241 112.607 1.634 RESID 255 (T): HA 4.222 4.222 4.014 0.208 RESID 255 (T): C 173.687 173.687 173.285 0.402 RESID 255 (T): CA 62.138 62.138 62.232 -0.094 RESID 255 (T): CB 70.584 70.584 69.456 1.128 RESID 255 (T): H 7.469 7.469 7.686 -0.217 RESID 256 (A): N 128.290 128.290 126.397 1.893 RESID 256 (A): HA 4.515 4.515 4.163 0.351 RESID 256 (A): C 176.782 176.782 175.987 0.795 RESID 256 (A): CA 51.165 51.165 51.252 -0.087 RESID 256 (A): CB 17.596 17.596 18.674 -1.079 RESID 256 (A): H 8.625 8.625 8.246 0.379 RESID 257 (P): HA 4.089 4.089 4.225 -0.136 RESID 257 (P): C 178.670 178.670 175.963 2.707 RESID 257 (P): CA 66.250 66.250 64.290 1.960 RESID 257 (P): CB 32.400 32.400 30.373 2.027 RESID 258 (E): N 115.538 115.538 123.264 -7.726 RESID 258 (E): HA 4.205 4.205 4.395 -0.190 RESID 258 (E): C 177.484 177.484 176.183 1.301 RESID 258 (E): CA 59.489 59.489 57.541 1.948 RESID 258 (E): CB 28.896 28.896 31.160 -2.264 RESID 258 (E): H 9.711 9.711 8.630 1.081 RESID 259 (V): N 113.043 113.043 114.218 -1.175 RESID 259 (V): HA 4.641 4.641 4.660 -0.019 RESID 259 (V): C 175.536 175.536 176.144 -0.608 RESID 259 (V): CA 61.065 61.065 61.559 -0.494 RESID 259 (V): CB 32.652 32.652 32.037 0.615 RESID 259 (V): H 7.765 7.765 7.453 0.312 RESID 260 (K): N 121.849 121.849 123.515 -1.666 RESID 260 (K): HA 3.769 3.769 3.836 -0.067 RESID 260 (K): C 177.750 177.750 177.581 0.169 RESID 260 (K): CA 61.507 61.507 59.705 1.802 RESID 260 (K): CB 34.189 34.189 31.820 2.369 RESID 260 (K): H 7.415 7.415 8.732 -1.317 RESID 261 (Y): N 117.222 117.222 116.113 1.109 RESID 261 (Y): HA 3.803 3.803 4.414 -0.611 RESID 261 (Y): C 176.020 176.020 178.234 -2.214 RESID 261 (Y): CA 62.761 62.761 60.421 2.340 RESID 261 (Y): CB 36.982 36.982 38.033 -1.051 RESID 261 (Y): H 8.942 8.942 7.942 1.000 RESID 262 (T): N 115.869 115.869 117.624 -1.755 RESID 262 (T): HA 4.136 4.136 3.965 0.171 RESID 262 (T): C 177.136 177.136 176.464 0.672 RESID 262 (T): CA 68.855 68.855 66.746 2.109 RESID 262 (T): CB 66.818 66.818 68.660 -1.842 RESID 262 (T): H 7.822 7.822 8.064 -0.242 RESID 263 (V): N 123.471 123.471 121.096 2.375 RESID 263 (V): HA 3.507 3.507 3.677 -0.170 RESID 263 (V): C 178.020 178.020 177.416 0.604 RESID 263 (V): CA 67.000 67.000 67.165 -0.165 RESID 263 (V): CB 31.699 31.699 31.171 0.528 RESID 263 (V): H 8.051 8.051 8.731 -0.680 RESID 264 (F): N 123.178 123.178 120.594 2.584 RESID 264 (F): HA 3.812 3.812 4.035 -0.223 RESID 264 (F): C 175.217 175.217 177.329 -2.112 RESID 264 (F): CA 60.720 60.720 61.725 -1.005 RESID 264 (F): CB 39.637 39.637 39.101 0.536 RESID 264 (F): H 8.047 8.047 7.544 0.503 RESID 265 (E): N 120.524 120.524 119.391 1.133 RESID 265 (E): HA 2.959 2.959 4.238 -1.279 RESID 265 (E): C 178.300 178.300 179.005 -0.705 RESID 265 (E): CA 59.854 59.854 59.765 0.089 RESID 265 (E): CB 30.318 30.318 30.083 0.235 RESID 265 (E): H 8.830 8.830 8.640 0.190 RESID 266 (T): N 114.371 114.371 116.888 -2.517 RESID 266 (T): HA 3.694 3.694 3.992 -0.298 RESID 266 (T): C 176.020 176.020 176.576 -0.556 RESID 266 (T): CA 66.645 66.645 66.695 -0.050 RESID 266 (T): CB 68.704 68.704 68.707 -0.003 RESID 266 (T): H 7.978 7.978 8.698 -0.720 RESID 267 (A): N 124.070 124.070 124.214 -0.144 RESID 267 (A): HA 3.899 3.899 4.052 -0.153 RESID 267 (A): C 180.615 180.615 179.704 0.911 RESID 267 (A): CA 54.950 54.950 55.254 -0.304 RESID 267 (A): CB 17.668 17.668 18.020 -0.352 RESID 267 (A): H 7.908 7.908 8.623 -0.715 RESID 268 (L): N 121.494 121.494 119.109 2.385 RESID 268 (L): HA 3.716 3.716 3.839 -0.123 RESID 268 (L): C 177.403 177.403 178.733 -1.330 RESID 268 (L): CA 57.095 57.095 57.678 -0.583 RESID 268 (L): CB 35.715 35.715 40.698 -4.983 RESID 268 (L): H 8.499 8.499 7.415 1.084 RESID 269 (K): N 118.900 118.900 119.573 -0.673 RESID 269 (K): HA 2.946 2.946 3.609 -0.663 RESID 269 (K): C 179.440 179.440 178.971 0.469 RESID 269 (K): CA 59.500 59.500 59.839 -0.339 RESID 269 (K): CB 31.880 31.880 32.172 -0.292 RESID 269 (K): H 7.678 7.678 7.898 -0.220 RESID 270 (K): N 118.900 118.900 119.035 -0.135 RESID 270 (K): HA 3.814 3.814 4.053 -0.239 RESID 270 (K): C 178.960 178.960 178.535 0.425 RESID 270 (K): CA 59.770 59.770 58.936 0.834 RESID 270 (K): CB 32.330 32.330 32.344 -0.014 RESID 270 (K): H 7.678 7.678 8.118 -0.440 RESID 271 (A): N 122.628 122.628 121.993 0.635 RESID 271 (A): HA 4.078 4.078 4.055 0.023 RESID 271 (A): C 180.707 180.707 179.965 0.742 RESID 271 (A): CA 54.835 54.835 54.972 -0.137 RESID 271 (A): CB 18.694 18.694 18.221 0.473 RESID 271 (A): H 7.699 7.699 8.207 -0.508 RESID 272 (I): N 120.190 120.190 117.496 2.694 RESID 272 (I): HA 3.616 3.616 3.657 -0.041 RESID 272 (I): C 178.458 178.458 177.835 0.623 RESID 272 (I): CA 65.296 65.296 64.676 0.620 RESID 272 (I): CB 37.724 37.724 37.652 0.072 RESID 272 (I): H 8.519 8.519 8.352 0.167 RESID 273 (T): N 118.748 118.748 117.165 1.583 RESID 273 (T): HA 4.227 4.227 3.897 0.330 RESID 273 (T): C 176.122 176.122 176.000 0.122 RESID 273 (T): CA 68.686 68.686 67.075 1.611 RESID 273 (T): CB 67.031 67.031 67.972 -0.940 RESID 273 (T): H 8.329 8.329 7.503 0.826 RESID 274 (A): N 122.829 122.829 125.028 -2.199 RESID 274 (A): HA 4.120 4.120 4.024 0.096 RESID 274 (A): C 180.580 180.580 179.492 1.088 RESID 274 (A): CA 55.013 55.013 55.136 -0.123 RESID 274 (A): CB 17.770 17.770 18.300 -0.530 RESID 274 (A): H 7.841 7.841 7.553 0.288 RESID 275 (M): N 118.352 118.352 115.913 2.439 RESID 275 (M): HA 4.082 4.082 4.159 -0.077 RESID 275 (M): C 178.226 178.226 178.293 -0.067 RESID 275 (M): CA 59.240 59.240 58.332 0.908 RESID 275 (M): CB 33.624 33.624 32.470 1.154 RESID 275 (M): H 7.886 7.886 7.732 0.154 RESID 276 (S): N 115.242 115.242 116.166 -0.924 RESID 276 (S): HA 4.100 4.100 4.176 -0.076 RESID 276 (S): C 176.687 176.687 177.027 -0.340 RESID 276 (S): CA 60.920 60.920 61.284 -0.364 RESID 276 (S): CB 62.763 62.763 63.060 -0.297 RESID 276 (S): H 8.154 8.154 8.041 0.113 RESID 277 (E): N 120.950 120.950 122.679 -1.729 RESID 277 (E): HA 3.990 3.990 4.077 -0.087 RESID 277 (E): C 178.562 178.562 178.637 -0.075 RESID 277 (E): CA 58.426 58.426 59.096 -0.670 RESID 277 (E): CB 29.510 29.510 29.693 -0.183 RESID 277 (E): H 8.336 8.336 8.382 -0.046 RESID 278 (A): N 121.655 121.655 120.632 1.023 RESID 278 (A): HA 4.137 4.137 4.238 -0.101 RESID 278 (A): C 179.412 179.412 178.104 1.308 RESID 278 (A): CA 54.163 54.163 54.102 0.061 RESID 278 (A): CB 18.234 18.234 18.357 -0.123 RESID 278 (A): H 7.943 7.943 7.556 0.387 RESID 279 (Q): N 116.951 116.951 117.219 -0.268 RESID 279 (Q): HA 4.138 4.138 4.022 0.116 RESID 279 (Q): C 177.164 177.164 178.075 -0.911 RESID 279 (Q): CA 56.987 56.987 58.289 -1.302 RESID 279 (Q): CB 28.602 28.602 28.620 -0.018 RESID 279 (Q): H 7.791 7.791 7.724 0.067 RESID 280 (K): N 119.993 119.993 119.297 0.696 RESID 280 (K): HA 4.089 4.089 4.116 -0.027 RESID 280 (K): C 176.909 176.909 176.123 0.786 RESID 280 (K): CA 57.700 57.700 57.875 -0.175 RESID 280 (K): CB 32.860 32.860 33.194 -0.334 RESID 280 (K): H 7.863 7.863 7.708 0.155 RESID 281 (A): N 122.367 122.367 118.521 3.846 RESID 281 (A): HA 4.206 4.206 4.528 -0.322 RESID 281 (A): C 177.375 177.375 175.548 1.827 RESID 281 (A): CA 52.474 52.474 52.111 0.363 RESID 281 (A): CB 19.140 19.140 21.285 -2.145 RESID 281 (A): H 7.841 7.841 7.472 0.369 RESID 282 (A): N 122.465 122.465 123.993 -1.528 RESID 282 (A): HA 4.211 4.211 4.355 -0.144 RESID 282 (A): C 177.333 177.333 177.368 -0.035 RESID 282 (A): CA 52.413 52.413 52.453 -0.040 RESID 282 (A): CB 19.016 19.016 18.743 0.273 RESID 282 (A): H 7.891 7.891 8.413 -0.522 RESID 283 (K): N 121.934 121.934 119.909 2.025 RESID 283 (K): HA 4.560 4.560 4.462 0.098 RESID 283 (K): C 181.141 181.141 176.194 4.947 RESID 283 (K): CA 54.069 54.069 54.772 -0.702 RESID 283 (K): CB 32.644 32.644 32.178 0.466 RESID 283 (K): H 8.140 8.140 7.750 0.391 RESID 284 (P): HA 4.331 4.331 4.366 -0.035 RESID 284 (P): C 172.250 172.250 176.700 -4.450 RESID 284 (P): CA 63.500 63.500 63.767 -0.267 RESID 284 (P): CB 32.160 32.160 32.022 0.138 N HA C CA CB H RESID 57 (G): 1.613 ----- -0.933 -0.332 ----- 0.095 RESID 58 (K): 4.671 -0.221 1.338 0.534 -0.859 0.624 RESID 59 (A): 2.655 -0.015 -0.252 -0.781 0.214 -0.047 RESID 60 (T): 2.896 -0.311 2.552 0.791 -0.266 0.375 RESID 61 (T): 1.453 -0.227 1.176 1.532 -1.241 0.540 RESID 62 (E): -0.679 -0.117 0.688 -0.404 -0.087 0.188 RESID 63 (E): 0.997 -0.238 -1.256 1.117 0.172 0.376 RESID 64 (Q): -0.300 -0.237 1.034 0.408 -0.053 0.094 RESID 65 (K): 0.747 -0.176 -0.400 0.750 -0.027 0.233 RESID 66 (L): -1.614 -0.016 0.486 0.560 -0.935 -0.722 RESID 67 (I): 0.977 0.152 0.984 -0.786 -1.366 -0.482 RESID 68 (E): 4.305 -0.084 3.388 1.670 -0.372 0.587 RESID 69 (K): 0.879 -0.082 1.723 1.565 0.336 -0.057 RESID 70 (I): 2.977 0.038 2.590 0.165 -1.781 0.423 RESID 71 (N): 2.721 0.372 1.316 -0.388 0.737 1.137 RESID 72 (A): 1.253 0.050 1.519 0.568 -0.561 0.707 RESID 73 (G): 2.879 ----- -1.467 0.147 ----- 0.785 RESID 74 (F): 3.207 -0.370 -0.283 3.332 1.025 0.822 RESID 75 (K): -2.580 0.071 1.010 0.032 0.177 -0.191 RESID 76 (A): 2.409 -0.012 1.671 -0.131 -0.481 0.589 RESID 77 (A): 4.703 -0.299 -0.495 1.056 -0.978 1.107 RESID 78 (L): 1.952 0.499 0.753 0.550 1.158 -0.183 RESID 79 (A): -0.138 0.052 1.292 -0.066 -0.346 -0.776 RESID 80 (A): 2.047 -0.087 3.038 0.944 0.265 0.716 RESID 81 (A): 0.473 -0.206 1.638 1.526 0.242 1.199 RESID 82 (A): 1.025 -0.542 2.408 2.945 -2.816 0.780 RESID 83 (G): 19.875 ----- 0.139 -0.561 ----- -1.112 RESID 84 (V): -5.267 0.403 -0.087 -1.122 1.141 -0.347 RESID 85 (Q): -3.734 0.003 ----- 0.365 -2.610 0.230 RESID 86 (P): ----- 0.212 ----- -2.377 1.892 ----- RESID 87 (A): -7.816 -0.173 0.020 1.248 -1.220 0.744 RESID 88 (D): -4.908 0.264 0.109 -0.454 0.876 0.204 RESID 89 (K): 5.150 -0.681 -0.763 3.050 0.675 -0.737 RESID 90 (Y): -1.020 -0.579 -0.939 3.022 -1.066 1.138 RESID 91 (R): -0.193 0.049 0.902 0.277 -0.747 0.605 RESID 92 (T): 0.014 -0.118 0.155 0.978 0.161 -0.534 RESID 93 (F): 3.455 -0.527 -1.747 0.841 1.165 1.337 RESID 94 (V): -0.989 -0.297 1.938 1.152 1.065 0.529 RESID 95 (A): 0.151 0.061 0.779 -0.105 -0.378 0.048 RESID 96 (T): 0.474 0.096 0.108 2.912 -2.332 -0.428 RESID 97 (F): 0.649 -0.428 0.359 1.397 0.877 0.819 RESID 98 (G): 0.212 ----- 0.635 0.167 ----- 0.617 RESID 99 (A): -1.578 0.038 1.129 0.303 -0.459 -0.610 RESID 100 (A): 0.211 0.265 1.603 -0.553 -0.719 1.590 RESID 101 (S): 3.279 0.153 0.198 7.292 4.534 0.379 RESID 102 (N): ----- -0.097 ----- 0.056 -0.725 ----- RESID 103 (K): -0.530 0.093 -0.674 -0.392 0.173 -0.509 RESID 104 (A): -0.951 -0.069 0.671 -0.618 -0.095 0.146 RESID 105 (F): -2.071 0.102 0.169 -0.887 -0.374 0.016 RESID 106 (A): 2.432 0.099 ----- -0.248 -0.123 -0.493 RESID 107 (E): -0.676 -0.218 -1.160 0.032 -0.085 0.065 RESID 108 (G): -0.073 ----- -1.116 0.031 ----- -0.635 RESID 109 (L): 0.960 0.426 1.635 -1.212 -0.146 0.497 RESID 110 (S): 4.249 0.150 0.282 0.019 1.722 0.651 RESID 111 (G): 0.880 ----- 0.017 -0.647 ----- -0.253 RESID 112 (E): -1.757 0.184 ----- 0.260 -1.218 -0.241 RESID 113 (P): ----- 0.004 ----- -0.572 -0.106 ----- RESID 114 (K): 0.905 -0.087 0.149 1.065 2.226 0.602 RESID 115 (G): 0.140 ----- -1.072 -0.193 ----- 0.373 RESID 116 (A): 4.023 0.286 1.854 -0.581 2.141 0.343 RESID 117 (A): 6.580 -0.112 1.066 0.287 -0.116 0.432 RESID 118 (E): 0.931 -0.325 0.716 0.020 0.122 0.326 RESID 119 (S): 4.536 -0.239 0.762 0.654 -0.693 0.599 RESID 120 (S): 0.774 -0.188 0.332 -0.295 0.047 0.497 RESID 121 (S): 1.516 -0.071 0.458 -0.229 -0.426 0.047 RESID 122 (K): 2.303 -0.002 ----- -0.094 0.117 -0.070 RESID 123 (A): 2.156 -0.100 ----- -0.585 0.332 0.468 RESID 124 (A): 0.024 -0.002 ----- -0.345 0.049 0.338 RESID 125 (L): 1.739 -0.029 -0.341 -0.005 -0.604 0.404 RESID 126 (T): -2.925 -0.136 -0.332 1.526 -1.686 0.077 RESID 127 (S): -1.777 0.086 1.189 -1.092 -0.391 -1.035 RESID 128 (K): 2.223 -0.061 1.500 1.251 1.115 0.256 RESID 129 (L): 0.482 -0.490 -2.151 -0.063 -0.837 0.827 RESID 130 (D): -1.467 -0.383 0.199 0.656 1.218 -0.010 RESID 131 (A): -3.525 -0.107 0.959 -0.152 -0.513 -0.149 RESID 132 (A): 2.166 0.112 0.270 -0.286 -0.300 -0.451 RESID 133 (Y): -0.687 0.044 2.422 -4.268 -2.549 0.980 RESID 134 (K): 2.240 -0.015 0.044 1.991 0.046 0.194 RESID 135 (L): 1.352 0.127 2.179 0.216 0.052 -0.204 RESID 136 (A): 3.817 -0.317 -1.076 1.343 -0.692 0.117 RESID 137 (Y): -1.462 1.509 -0.108 2.172 0.891 0.805 RESID 138 (K): -0.551 0.253 0.828 -0.052 0.222 0.996 RESID 139 (T): 1.426 0.201 0.826 3.435 -1.799 0.868 RESID 140 (A): 1.321 0.082 0.112 0.496 1.715 0.980 RESID 141 (E): 0.421 -0.203 0.119 0.815 -0.095 0.817 RESID 142 (G): -3.815 ----- 0.656 0.566 ----- 0.070 RESID 143 (A): 0.670 -0.273 1.500 -0.733 -0.494 -0.108 RESID 144 (T): -2.643 -0.172 0.919 1.679 -1.630 0.093 RESID 145 (P): ----- -0.386 2.119 2.645 0.730 ----- RESID 146 (E): -2.302 0.005 -0.444 0.923 -1.899 1.710 RESID 147 (A): 3.925 0.086 1.447 -0.500 1.929 -0.179 RESID 148 (K): -1.017 -0.530 -0.192 2.860 0.841 -0.944 RESID 149 (Y): -1.324 -0.231 -2.388 0.088 -0.513 0.571 RESID 150 (D): -0.998 -0.517 0.797 0.263 0.169 0.320 RESID 152 (Y): ----- -0.228 -0.626 2.819 1.167 ----- RESID 153 (V): -1.385 -0.115 0.266 0.738 0.744 0.085 RESID 154 (A): 0.010 -0.116 -2.423 -0.110 -0.100 -0.218 RESID 155 (T): -1.884 -0.231 0.617 -0.528 0.004 -0.569 RESID 156 (L): 0.732 -0.093 ----- -0.804 0.598 1.027 RESID 157 (S): -0.266 -0.207 0.711 0.905 -0.642 0.468 RESID 158 (E): -1.752 0.022 -0.565 -0.650 -0.141 -0.306 RESID 159 (A): -0.568 -0.134 0.610 0.572 0.007 -0.087 RESID 160 (L): -4.351 -0.316 1.317 0.321 -0.907 0.354 RESID 161 (R): 2.140 -0.149 0.603 0.252 -0.176 -0.593 RESID 162 (I): 0.480 -0.155 1.900 0.076 -0.239 0.264 RESID 163 (I): ----- -0.245 ----- 1.204 0.635 ----- RESID 164 (A): 0.621 -0.235 1.482 1.041 -0.308 1.002 RESID 165 (G): 0.254 ----- 0.654 0.650 ----- -0.236 RESID 166 (T): -2.110 -0.131 -0.371 0.294 -0.085 0.379 RESID 167 (L): 0.499 -0.134 0.756 -0.132 -0.201 0.019 RESID 168 (E): 0.158 -0.380 0.409 0.353 0.898 -0.209 RESID 169 (V): 1.118 -0.333 2.130 -4.992 ----- 0.147 RESID 170 (H): -0.566 -0.341 0.810 -0.645 -2.015 0.549 RESID 171 (A): 1.637 -0.072 0.046 0.026 -1.352 -0.104 RESID 172 (V): 1.207 0.189 -0.554 -2.730 0.774 0.093 RESID 173 (K): 9.474 ----- -0.116 -1.619 -0.064 0.550 RESID 174 (P): ----- -0.159 ----- -0.305 -0.143 ----- RESID 175 (A): 0.147 -0.233 1.940 1.489 -1.023 0.413 RESID 176 (A): -0.560 -0.242 0.200 0.648 0.124 0.063 RESID 177 (E): -0.338 0.033 0.712 -0.186 0.206 -0.070 RESID 178 (E): 3.930 -0.288 1.416 0.383 0.576 -0.223 RESID 179 (V): 1.324 -0.298 0.751 0.359 -0.662 0.211 RESID 180 (K): -0.038 -0.291 0.536 1.082 -2.152 0.227 RESID 181 (V): 0.280 -0.052 0.044 -1.861 1.211 -0.142 RESID 182 (I): 3.446 ----- -0.752 -0.252 0.371 0.079 RESID 183 (P): ----- -0.181 -0.358 -0.712 0.709 ----- RESID 184 (A): 3.256 -0.005 -0.098 -0.098 0.317 0.594 RESID 185 (G): 2.369 ----- 1.002 1.466 ----- 1.001 RESID 186 (E): 4.173 0.098 -0.657 -0.595 1.437 -0.418 RESID 187 (L): 1.446 -0.092 -0.437 -0.894 0.352 0.094 RESID 188 (Q): 0.042 0.165 -0.677 -1.093 0.179 -0.299 RESID 189 (V): -2.546 -0.047 0.012 -0.763 0.737 0.108 RESID 190 (I): 2.792 -0.077 -0.717 -0.072 0.751 0.278 RESID 191 (E): -0.310 0.104 -0.085 0.152 0.380 0.247 RESID 192 (K): -0.887 0.154 -0.312 -0.944 -0.557 0.067 RESID 193 (V): 1.697 -0.088 -1.185 0.016 0.003 0.673 RESID 194 (D): 2.095 -0.042 -0.337 0.501 1.537 0.706 RESID 195 (A): -0.752 -0.340 1.449 1.289 -0.608 0.429 RESID 196 (A): -0.111 -0.356 -0.012 0.683 0.577 -0.253 RESID 197 (F): 0.682 -0.498 -0.976 0.217 -0.653 0.663 RESID 198 (K): -1.386 -0.127 1.723 -0.524 -0.011 0.073 RESID 199 (V): 1.853 -0.073 1.133 0.740 0.301 -0.395 RESID 200 (A): 3.658 -0.479 -0.438 0.688 0.497 0.748 RESID 201 (A): -0.384 0.021 1.456 -0.463 -0.243 -0.538 RESID 202 (T): 1.182 0.104 -0.247 -4.436 -6.667 -0.010 RESID 203 (A): 1.339 -0.107 1.867 0.553 -0.331 -0.241 RESID 204 (A): 2.475 0.123 0.697 1.451 -0.319 0.958 RESID 205 (N): -3.693 -0.180 -1.441 1.145 1.061 0.032 RESID 206 (A): -3.198 0.094 -0.001 3.009 -0.604 -0.647 RESID 207 (A): 1.266 -0.132 -0.314 1.220 -1.084 -0.096 RESID 208 (P): ----- -0.081 0.288 0.217 -0.386 ----- RESID 209 (A): 2.399 -0.172 2.813 3.090 2.016 0.199 RESID 210 (N): -3.783 -0.261 0.801 1.561 -2.609 0.679 RESID 211 (D): -2.934 0.036 1.468 -0.116 1.374 0.250 RESID 212 (K): -2.306 -1.050 0.369 5.027 -1.218 -1.489 RESID 213 (F): -7.125 -0.164 0.812 0.172 0.456 -0.498 RESID 214 (T): -0.199 ----- 1.416 -1.196 0.317 -0.414 RESID 215 (V): 1.875 -0.013 0.654 0.584 -0.131 0.634 RESID 216 (F): -1.903 -0.218 0.253 0.731 0.212 0.840 RESID 217 (E): -1.446 -0.162 -0.827 2.774 1.031 -0.274 RESID 218 (A): -3.486 -0.014 0.838 0.647 -0.495 0.273 RESID 219 (A): -2.049 0.151 0.999 0.092 0.271 0.126 RESID 220 (F): 1.838 0.313 0.334 -3.054 1.328 0.407 RESID 221 (N): 1.028 -0.126 ----- 0.764 -0.526 0.724 RESID 222 (D): -1.165 -0.174 0.798 0.693 -0.522 0.170 RESID 223 (A): 0.958 0.091 ----- 0.369 -0.110 -0.019 RESID 224 (I): 6.153 -0.403 0.706 1.657 -0.029 1.293 RESID 225 (K): 2.910 0.201 0.296 -0.927 0.029 0.920 RESID 226 (A): -1.205 0.128 2.278 -0.258 0.205 -0.193 RESID 227 (S): 0.470 0.230 -0.588 0.225 0.410 0.542 RESID 228 (T): -0.583 0.576 ----- -1.523 0.701 0.226 RESID 229 (G): 3.213 ----- 2.552 2.477 ----- 0.695 RESID 230 (G): -2.773 ----- -0.856 -0.988 ----- 0.426 RESID 231 (A): -0.576 -0.705 -1.398 1.674 -0.391 0.055 RESID 232 (Y): -2.346 0.252 -0.385 -4.055 2.796 -1.418 RESID 233 (E): -1.568 -0.262 -2.113 -0.256 1.900 -0.111 RESID 234 (S): -7.334 0.182 1.104 -3.856 1.466 -1.131 RESID 235 (Y): -1.511 -0.819 -0.166 1.494 -1.460 -0.035 RESID 236 (K): -1.162 -0.425 1.081 1.222 0.381 -1.361 RESID 237 (F): 1.015 -0.068 0.425 1.369 0.190 0.315 RESID 238 (I): 4.222 -0.064 ----- 0.274 -0.527 0.243 RESID 239 (P): ----- -0.092 1.123 3.225 0.411 ----- RESID 240 (A): -6.362 0.159 ----- 1.262 1.416 0.554 RESID 241 (L): -2.882 0.284 -0.888 -1.258 0.375 0.238 RESID 242 (E): 3.450 -0.010 -0.120 1.448 0.136 0.482 RESID 243 (A): -2.825 -0.111 0.507 0.486 -0.310 0.551 RESID 244 (A): -1.316 0.124 0.148 0.226 ----- -0.700 RESID 245 (V): 1.627 -0.174 -0.154 0.743 0.542 0.901 RESID 246 (K): -0.857 0.199 1.453 0.912 -0.424 0.883 RESID 247 (Q): 1.615 0.003 -0.317 -0.105 -0.684 -0.235 RESID 248 (A): 2.629 -0.172 0.112 0.102 0.561 -0.042 RESID 249 (Y): -3.161 -0.197 3.904 1.961 -0.895 -0.286 RESID 250 (A): 4.954 -0.227 1.782 2.022 -0.997 0.751 RESID 251 (A): -1.782 -0.105 -0.395 1.355 -1.869 -0.235 RESID 252 (T): -5.842 0.584 0.707 -2.389 1.614 -0.111 RESID 253 (V): 2.369 0.421 -0.891 0.182 1.398 -1.018 RESID 254 (A): 2.556 0.031 0.771 -0.783 -2.143 0.552 RESID 255 (T): 1.634 0.208 0.402 -0.094 1.128 -0.217 RESID 256 (A): 1.893 0.351 0.795 -0.087 -1.079 0.379 RESID 257 (P): ----- -0.136 2.707 1.960 2.027 ----- RESID 258 (E): -7.726 -0.190 1.301 1.948 -2.264 1.081 RESID 259 (V): -1.175 -0.019 -0.608 -0.494 0.615 0.312 RESID 260 (K): -1.666 -0.067 0.169 1.802 2.369 -1.317 RESID 261 (Y): 1.109 -0.611 -2.214 2.340 -1.051 1.000 RESID 262 (T): -1.755 0.171 0.672 2.109 -1.842 -0.242 RESID 263 (V): 2.375 -0.170 0.604 -0.165 0.528 -0.680 RESID 264 (F): 2.584 -0.223 -2.112 -1.005 0.536 0.503 RESID 265 (E): 1.133 -1.279 -0.705 0.089 0.235 0.190 RESID 266 (T): -2.517 -0.298 -0.556 -0.050 -0.003 -0.720 RESID 267 (A): -0.144 -0.153 0.911 -0.304 -0.352 -0.715 RESID 268 (L): 2.385 -0.123 -1.330 -0.583 -4.983 1.084 RESID 269 (K): -0.673 -0.663 0.469 -0.339 -0.292 -0.220 RESID 270 (K): -0.135 -0.239 0.425 0.834 -0.014 -0.440 RESID 271 (A): 0.635 0.023 0.742 -0.137 0.473 -0.508 RESID 272 (I): 2.694 -0.041 0.623 0.620 0.072 0.167 RESID 273 (T): 1.583 0.330 0.122 1.611 -0.940 0.826 RESID 274 (A): -2.199 0.096 1.088 -0.123 -0.530 0.288 RESID 275 (M): 2.439 -0.077 -0.067 0.908 1.154 0.154 RESID 276 (S): -0.924 -0.076 -0.340 -0.364 -0.297 0.113 RESID 277 (E): -1.729 -0.087 -0.075 -0.670 -0.183 -0.046 RESID 278 (A): 1.023 -0.101 1.308 0.061 -0.123 0.387 RESID 279 (Q): -0.268 0.116 -0.911 -1.302 -0.018 0.067 RESID 280 (K): 0.696 -0.027 0.786 -0.175 -0.334 0.155 RESID 281 (A): 3.846 -0.322 1.827 0.363 -2.145 0.369 RESID 282 (A): -1.528 -0.144 -0.035 -0.040 0.273 -0.522 RESID 283 (K): 2.025 0.098 4.947 -0.702 0.466 0.391 RESID 284 (P): ----- -0.035 -4.450 -0.267 0.138 ----- DATA CS_STAT_INFO N RMS: 2.909 ppm Count: 216 Average Difference: -0.394 +/- 2.888 ppm DATA CS_STAT_INFO HA RMS: 0.287 ppm Count: 233 Average Difference: 0.068 +/- 0.280 ppm DATA CS_STAT_INFO C RMS: 1.251 ppm Count: 211 Average Difference: -0.403 +/- 1.187 ppm DATA CS_STAT_INFO CA RMS: 1.456 ppm Count: 228 Average Difference: -0.325 +/- 1.423 ppm DATA CS_STAT_INFO CB RMS: 1.186 ppm Count: 214 Average Difference: 0.058 +/- 1.187 ppm DATA CS_STAT_INFO HN RMS: 0.591 ppm Count: 216 Average Difference: -0.173 +/- 0.566 ppm