For BMRB entry 18170: ############################################################################ For conformer 1: Atom Original Corrected SPARTA Difference RESID 30 (C): N 122.700 122.700 122.030 0.670 RESID 30 (C): C 177.500 177.500 176.227 1.273 RESID 30 (C): CA 56.000 56.000 58.477 -2.477 RESID 30 (C): CB 40.300 40.300 27.775 12.525 RESID 31 (M): N 117.900 117.900 117.405 0.495 RESID 31 (M): C 173.200 173.200 175.421 -2.221 RESID 31 (M): CA 58.150 58.150 56.655 1.495 RESID 31 (M): CB 31.100 31.100 30.769 0.331 RESID 32 (L): N 125.300 125.300 119.876 5.424 RESID 32 (L): C 173.500 173.500 177.797 -4.297 RESID 32 (L): CA 53.780 53.780 56.847 -3.067 RESID 32 (L): CB 39.660 39.660 42.296 -2.636 RESID 33 (E): N 129.900 129.900 117.463 12.437 RESID 33 (E): C 173.200 173.200 176.472 -3.272 RESID 33 (E): CA 55.900 55.900 56.668 -0.768 RESID 33 (E): CB 31.000 31.000 30.346 0.654 RESID 34 (T): N 113.900 113.900 116.213 -2.313 RESID 34 (T): C 172.500 172.500 174.712 -2.212 RESID 34 (T): CA 63.500 63.500 60.941 2.559 RESID 34 (T): CB 67.200 67.200 69.983 -2.783 RESID 35 (E): N 125.300 125.300 123.427 1.873 RESID 35 (E): C 169.500 169.500 178.082 -8.582 RESID 35 (E): CA 55.840 55.840 58.577 -2.737 RESID 35 (E): CB 28.120 28.120 29.786 -1.666 RESID 36 (T): N 106.700 106.700 114.142 -7.442 RESID 36 (T): C 174.200 174.200 175.298 -1.098 RESID 36 (T): CA 65.000 65.000 64.138 0.862 RESID 37 (L): N 120.100 120.100 118.380 1.720 RESID 37 (L): C 177.500 177.500 176.921 0.579 RESID 37 (L): CA 56.400 56.400 54.569 1.831 RESID 37 (L): CB 39.800 39.800 39.663 0.137 RESID 38 (N): N 118.400 118.400 118.332 0.068 RESID 38 (N): C 177.600 177.600 176.608 0.992 RESID 38 (N): CA 55.900 55.900 56.080 -0.179 RESID 38 (N): CB 40.870 40.870 38.584 2.286 RESID 39 (K): N 121.500 121.500 120.024 1.476 RESID 39 (K): C 174.300 174.300 178.254 -3.954 RESID 39 (K): CA 56.700 56.700 59.666 -2.966 RESID 39 (K): CB 29.900 29.900 32.455 -2.555 RESID 40 (Y): N 120.100 120.100 119.039 1.061 RESID 40 (Y): C 176.800 176.800 177.478 -0.678 RESID 40 (Y): CA 58.200 58.200 60.236 -2.036 RESID 40 (Y): CB 40.000 40.000 37.868 2.132 RESID 41 (V): N 120.700 120.700 117.588 3.112 RESID 41 (V): C 176.000 176.000 177.198 -1.198 RESID 41 (V): CA 65.000 65.000 66.286 -1.286 RESID 41 (V): CB 29.750 29.750 31.340 -1.590 RESID 42 (V): N 121.200 121.200 121.401 -0.201 RESID 42 (V): C 176.200 176.200 178.388 -2.188 RESID 42 (V): CA 65.560 65.560 66.376 -0.816 RESID 42 (V): CB 29.700 29.700 31.496 -1.796 RESID 43 (I): N 120.900 120.900 119.554 1.346 RESID 43 (I): C 177.000 177.000 178.368 -1.368 RESID 43 (I): CA 64.300 64.300 63.448 0.852 RESID 43 (I): CB 36.600 36.600 36.148 0.452 RESID 44 (I): N 120.500 120.500 120.871 -0.371 RESID 44 (I): C 175.000 175.000 177.724 -2.724 RESID 44 (I): CA 59.700 59.700 65.921 -6.221 RESID 44 (I): CB 37.000 37.000 37.119 -0.119 RESID 45 (A): N 121.600 121.600 122.470 -0.870 RESID 45 (A): C 175.700 175.700 179.452 -3.752 RESID 45 (A): CA 52.700 52.700 55.344 -2.644 RESID 45 (A): CB 16.600 16.600 17.860 -1.260 RESID 46 (Y): N 120.400 120.400 120.165 0.235 RESID 46 (Y): C 175.400 175.400 177.753 -2.353 RESID 46 (Y): CA 58.530 58.530 61.322 -2.792 RESID 46 (Y): CB 39.850 39.850 38.187 1.663 RESID 47 (A): N 124.700 124.700 122.631 2.069 RESID 47 (A): C 174.800 174.800 179.858 -5.058 RESID 47 (A): CA 53.800 53.800 55.508 -1.708 RESID 47 (A): CB 15.530 15.530 18.075 -2.545 RESID 48 (L): N 117.700 117.700 118.893 -1.193 RESID 48 (L): C 177.400 177.400 179.183 -1.783 RESID 48 (L): CA 56.860 56.860 57.667 -0.807 RESID 49 (V): N 118.400 118.400 120.310 -1.910 RESID 49 (V): C 181.100 181.100 178.262 2.838 RESID 49 (V): CA 67.800 67.800 66.394 1.405 RESID 49 (V): CB 29.900 29.900 31.416 -1.516 RESID 50 (F): N 124.700 124.700 120.211 4.489 RESID 50 (F): C 171.900 171.900 177.284 -5.384 RESID 50 (F): CA 61.600 61.600 60.073 1.527 RESID 50 (F): CB 42.620 42.620 39.192 3.428 RESID 51 (L): N 125.600 125.600 121.759 3.841 RESID 51 (L): C 176.600 176.600 177.876 -1.276 RESID 51 (L): CA 55.850 55.850 58.538 -2.688 RESID 51 (L): CB 40.220 40.220 41.613 -1.393 RESID 52 (L): N 122.800 122.800 116.616 6.184 RESID 52 (L): C 173.700 173.700 178.645 -4.945 RESID 52 (L): CA 56.300 56.300 58.877 -2.577 RESID 52 (L): CB 39.200 39.200 40.643 -1.443 RESID 53 (S): N 118.700 118.700 115.298 3.402 RESID 53 (S): C 173.000 173.000 176.662 -3.662 RESID 53 (S): CA 58.200 58.200 60.905 -2.705 RESID 54 (L): N 123.500 123.500 123.761 -0.261 RESID 54 (L): C 176.800 176.800 177.983 -1.183 RESID 54 (L): CA 56.400 56.400 57.774 -1.374 RESID 54 (L): CB 40.000 40.000 41.429 -1.429 RESID 55 (L): N 124.600 124.600 115.800 8.800 RESID 55 (L): C 177.200 177.200 178.881 -1.681 RESID 55 (L): CA 56.000 56.000 57.455 -1.455 RESID 55 (L): CB 40.000 40.000 40.840 -0.841 RESID 56 (G): N 109.600 109.600 106.976 2.624 RESID 56 (G): C 174.800 174.800 175.841 -1.041 RESID 56 (G): CA 47.400 47.400 47.240 0.160 RESID 57 (N): N 118.200 118.200 119.369 -1.169 RESID 57 (N): C 176.900 176.900 177.580 -0.680 RESID 57 (N): CA 55.700 55.700 56.829 -1.129 RESID 57 (N): CB 39.300 39.300 38.218 1.082 RESID 58 (S): N 111.300 111.300 115.762 -4.462 RESID 58 (S): C 180.100 180.100 176.646 3.454 RESID 58 (S): CA 59.900 59.900 61.437 -1.536 RESID 58 (S): CB 63.300 63.300 62.814 0.486 RESID 59 (L): N 121.100 121.100 122.037 -0.937 RESID 59 (L): C 177.400 177.400 179.005 -1.605 RESID 59 (L): CA 56.150 56.150 57.943 -1.793 RESID 59 (L): CB 41.000 41.000 41.200 -0.200 RESID 60 (V): N 119.300 119.300 118.958 0.342 RESID 60 (V): C 175.200 175.200 178.337 -3.137 RESID 60 (V): CA 65.400 65.400 66.598 -1.198 RESID 60 (V): CB 29.500 29.500 31.370 -1.870 RESID 61 (M): N 118.900 118.900 119.044 -0.144 RESID 61 (M): C 176.500 176.500 178.717 -2.217 RESID 61 (M): CA 55.840 55.840 59.744 -3.904 RESID 62 (L): N 122.100 122.100 118.997 3.103 RESID 62 (L): C 177.700 177.700 179.175 -1.475 RESID 62 (L): CA 56.160 56.160 58.287 -2.127 RESID 62 (L): CB 39.110 39.110 41.217 -2.107 RESID 63 (V): N 121.100 121.100 119.562 1.538 RESID 63 (V): CA 64.850 64.850 66.666 -1.816 RESID 63 (V): CB 29.600 29.600 31.413 -1.813 RESID 64 (I): N 121.000 121.000 119.546 1.454 RESID 64 (I): C 175.100 175.100 178.695 -3.595 RESID 64 (I): CA 64.400 64.400 64.512 -0.112 RESID 64 (I): CB 36.600 36.600 36.978 -0.378 RESID 65 (L): N 119.000 119.000 117.690 1.310 RESID 65 (L): C 173.800 173.800 178.252 -4.452 RESID 65 (L): CA 56.200 56.200 57.934 -1.734 RESID 65 (L): CB 39.300 39.300 40.900 -1.599 RESID 66 (Y): N 120.200 120.200 115.813 4.387 RESID 66 (Y): C 176.700 176.700 175.538 1.162 RESID 66 (Y): CA 58.340 58.340 58.706 -0.366 RESID 66 (Y): CB 40.000 40.000 38.388 1.612 RESID 67 (S): N 116.700 116.700 116.294 0.406 RESID 67 (S): C 175.400 175.400 174.858 0.542 RESID 67 (S): CA 60.000 60.000 58.075 1.925 RESID 67 (S): CB 62.000 62.000 63.718 -1.718 RESID 68 (R): N 121.500 121.500 128.196 -6.696 RESID 68 (R): C 175.300 175.300 177.023 -1.723 RESID 68 (R): CA 60.400 60.400 59.055 1.345 RESID 69 (V): N 120.600 120.600 117.286 3.314 RESID 69 (V): C 174.600 174.600 175.134 -0.534 RESID 69 (V): CA 65.800 65.800 62.544 3.256 RESID 69 (V): CB 29.850 29.850 31.275 -1.425 RESID 70 (G): N 110.700 110.700 108.650 2.050 RESID 70 (G): C 174.400 174.400 173.851 0.549 RESID 70 (G): CA 41.700 41.700 44.714 -3.014 RESID 71 (R): N 122.900 122.900 120.696 2.204 RESID 71 (R): C 176.500 176.500 175.288 1.212 RESID 71 (R): CA 56.800 56.800 53.495 3.304 RESID 71 (R): CB 29.900 29.900 28.105 1.795 RESID 72 (S): N 117.300 117.300 116.854 0.446 RESID 72 (S): C 174.300 174.300 175.931 -1.631 RESID 72 (S): CA 57.800 57.800 56.943 0.857 RESID 73 (V): N 120.400 120.400 116.045 4.355 RESID 73 (V): C 175.700 175.700 176.470 -0.770 RESID 73 (V): CA 66.100 66.100 64.857 1.243 RESID 73 (V): CB 29.650 29.650 31.371 -1.721 RESID 74 (T): N 117.300 117.300 113.539 3.761 RESID 74 (T): C 175.800 175.800 175.417 0.383 RESID 74 (T): CA 64.000 64.000 65.150 -1.150 RESID 75 (D): N 122.900 122.900 123.117 -0.217 RESID 75 (D): C 176.500 176.500 178.165 -1.665 RESID 75 (D): CA 56.000 56.000 57.211 -1.211 RESID 75 (D): CB 40.300 40.300 39.841 0.459 RESID 76 (V): N 120.800 120.800 119.851 0.949 RESID 76 (V): C 175.600 175.600 177.947 -2.347 RESID 76 (V): CA 66.400 66.400 66.229 0.171 RESID 76 (V): CB 30.400 30.400 31.651 -1.251 RESID 77 (Y): N 123.800 123.800 117.788 6.012 RESID 77 (Y): C 175.700 175.700 178.067 -2.367 RESID 77 (Y): CA 60.560 60.560 61.888 -1.327 RESID 77 (Y): CB 37.000 37.000 37.448 -0.448 RESID 78 (L): N 121.000 121.000 119.508 1.492 RESID 78 (L): C 176.500 176.500 178.991 -2.491 RESID 78 (L): CA 55.900 55.900 57.751 -1.851 RESID 78 (L): CB 40.000 40.000 40.910 -0.910 RESID 79 (L): N 126.200 126.200 119.947 6.253 RESID 79 (L): C 176.000 176.000 179.043 -3.043 RESID 79 (L): CA 55.800 55.800 58.377 -2.577 RESID 79 (L): CB 40.240 40.240 41.336 -1.096 RESID 80 (N): N 121.300 121.300 118.091 3.209 RESID 80 (N): C 178.100 178.100 177.774 0.326 RESID 80 (N): CA 56.500 56.500 55.994 0.506 RESID 80 (N): CB 39.100 39.100 38.329 0.771 RESID 81 (L): N 124.100 124.100 121.547 2.553 RESID 81 (L): C 176.300 176.300 178.279 -1.979 RESID 81 (L): CA 56.000 56.000 58.039 -2.039 RESID 81 (L): CB 38.100 38.100 41.639 -3.539 RESID 82 (A): N 124.700 124.700 121.915 2.785 RESID 82 (A): C 177.500 177.500 179.621 -2.121 RESID 82 (A): CA 53.400 53.400 55.251 -1.851 RESID 82 (A): CB 18.300 18.300 17.966 0.334 RESID 83 (L): N 121.400 121.400 119.993 1.407 RESID 83 (L): C 176.500 176.500 178.987 -2.487 RESID 83 (L): CA 55.900 55.900 57.988 -2.088 RESID 83 (L): CB 40.200 40.200 42.034 -1.834 RESID 84 (A): N 123.900 123.900 121.163 2.737 RESID 84 (A): C 176.600 176.600 179.892 -3.292 RESID 84 (A): CA 54.400 54.400 55.518 -1.118 RESID 84 (A): CB 16.600 16.600 18.126 -1.526 RESID 85 (D): N 120.300 120.300 120.222 0.078 RESID 85 (D): C 178.400 178.400 178.804 -0.404 RESID 85 (D): CA 56.330 56.330 57.220 -0.890 RESID 85 (D): CB 39.850 39.850 40.560 -0.710 RESID 86 (L): N 122.700 122.700 120.953 1.747 RESID 86 (L): C 173.600 173.600 178.957 -5.357 RESID 86 (L): CA 56.300 56.300 58.697 -2.397 RESID 86 (L): CB 39.500 39.500 41.854 -2.354 RESID 87 (L): N 122.000 122.000 119.632 2.368 RESID 87 (L): C 175.600 175.600 178.696 -3.096 RESID 87 (L): CA 56.150 56.150 58.274 -2.124 RESID 87 (L): CB 40.000 40.000 41.896 -1.896 RESID 88 (F): N 119.200 119.200 120.030 -0.830 RESID 88 (F): C 173.900 173.900 177.543 -3.643 RESID 88 (F): CA 55.900 55.900 61.130 -5.230 RESID 88 (F): CB 40.400 40.400 38.868 1.532 RESID 89 (A): N 126.600 126.600 121.472 5.128 RESID 89 (A): C 172.900 172.900 180.125 -7.225 RESID 89 (A): CA 53.100 53.100 54.858 -1.758 RESID 89 (A): CB 17.000 17.000 18.306 -1.306 RESID 90 (L): N 119.700 119.700 118.047 1.653 RESID 90 (L): C 172.500 172.500 178.039 -5.539 RESID 90 (L): CA 56.500 56.500 57.893 -1.393 RESID 90 (L): CB 39.900 39.900 41.627 -1.727 RESID 91 (T): N 115.300 115.300 107.852 7.448 RESID 91 (T): C 176.400 176.400 175.850 0.550 RESID 91 (T): CA 60.000 60.000 63.131 -3.131 RESID 91 (T): CB 69.500 69.500 68.996 0.504 RESID 92 (L): N 123.000 123.000 123.591 -0.591 RESID 92 (L): C 175.400 175.400 175.273 0.127 RESID 92 (L): CA 55.600 55.600 59.885 -4.285 RESID 92 (L): CB 40.800 40.800 39.648 1.152 RESID 94 (I): N 121.000 121.000 115.642 5.358 RESID 94 (I): C 176.800 176.800 177.963 -1.163 RESID 94 (I): CA 64.300 64.300 63.151 1.149 RESID 94 (I): CB 36.600 36.600 36.720 -0.120 RESID 95 (W): N 120.500 120.500 122.824 -2.324 RESID 95 (W): C 176.700 176.700 177.618 -0.918 RESID 95 (W): CA 58.100 58.100 61.197 -3.097 RESID 95 (W): CB 29.000 29.000 29.162 -0.162 RESID 96 (A): N 126.300 126.300 121.107 5.193 RESID 96 (A): C 178.300 178.300 178.972 -0.672 RESID 96 (A): CA 52.400 52.400 53.895 -1.495 RESID 96 (A): CB 20.400 20.400 17.783 2.617 RESID 97 (A): N 123.200 123.200 119.866 3.334 RESID 97 (A): C 178.000 178.000 179.586 -1.586 RESID 97 (A): CA 53.600 53.600 54.981 -1.381 RESID 97 (A): CB 16.700 16.700 17.969 -1.269 RESID 98 (S): N 109.400 109.400 111.495 -2.095 RESID 98 (S): CA 63.000 63.000 60.263 2.737 RESID 99 (K): N 121.500 121.500 119.903 1.597 RESID 99 (K): C 177.300 177.300 178.484 -1.184 RESID 99 (K): CA 56.100 56.100 58.326 -2.226 RESID 99 (K): CB 30.700 30.700 32.599 -1.899 RESID 100 (V): N 121.200 121.200 121.442 -0.242 RESID 100 (V): C 176.300 176.300 177.485 -1.185 RESID 100 (V): CA 64.900 64.900 64.964 -0.064 RESID 100 (V): CB 29.850 29.850 31.243 -1.393 RESID 101 (N): N 116.700 116.700 117.364 -0.664 RESID 101 (N): C 173.800 173.800 175.893 -2.093 RESID 101 (N): CA 52.300 52.300 54.362 -2.062 RESID 101 (N): CB 39.700 39.700 38.670 1.030 RESID 102 (G): N 109.500 109.500 104.834 4.666 RESID 102 (G): C 174.600 174.600 173.071 1.529 RESID 102 (G): CA 45.900 45.900 44.267 1.633 RESID 103 (W): N 117.700 117.700 117.670 0.030 RESID 103 (W): C 173.900 173.900 174.103 -0.203 RESID 103 (W): CA 58.000 58.000 54.904 3.096 RESID 103 (W): CB 31.000 31.000 30.852 0.148 RESID 104 (I): N 124.300 124.300 118.476 5.824 RESID 104 (I): C 175.700 175.700 174.353 1.347 RESID 104 (I): CA 60.400 60.400 60.572 -0.172 RESID 104 (I): CB 35.600 35.600 40.280 -4.680 RESID 105 (F): N 121.100 121.100 125.946 -4.846 RESID 105 (F): C 177.200 177.200 174.141 3.059 RESID 105 (F): CA 55.700 55.700 57.721 -2.021 RESID 105 (F): CB 40.500 40.500 40.736 -0.235 RESID 106 (G): N 110.000 110.000 112.609 -2.609 RESID 106 (G): C 174.500 174.500 172.838 1.662 RESID 106 (G): CA 41.900 41.900 44.795 -2.895 RESID 107 (T): N 114.700 114.700 113.939 0.761 RESID 107 (T): C 173.500 173.500 174.803 -1.303 RESID 107 (T): CA 60.500 60.500 61.422 -0.922 RESID 107 (T): CB 69.700 69.700 69.675 0.025 RESID 108 (F): N 124.200 124.200 123.533 0.667 RESID 108 (F): C 173.500 173.500 176.874 -3.374 RESID 108 (F): CA 60.000 60.000 59.879 0.121 RESID 108 (F): CB 37.030 37.030 38.278 -1.248 RESID 109 (L): N 123.200 123.200 118.791 4.409 RESID 109 (L): C 176.000 176.000 178.616 -2.616 RESID 109 (L): CA 55.500 55.500 58.032 -2.532 RESID 109 (L): CB 40.900 40.900 40.275 0.625 RESID 110 (C): N 117.600 117.600 119.214 -1.614 RESID 110 (C): C 176.700 176.700 177.087 -0.387 RESID 110 (C): CA 55.700 55.700 62.414 -6.714 RESID 110 (C): CB 39.400 39.400 25.327 14.073 RESID 111 (K): N 121.600 121.600 120.387 1.213 RESID 111 (K): C 176.400 176.400 176.712 -0.312 RESID 111 (K): CA 57.300 57.300 59.078 -1.778 RESID 111 (K): CB 30.000 30.000 32.390 -2.390 RESID 112 (V): N 123.600 123.600 116.431 7.169 RESID 112 (V): C 174.100 174.100 177.226 -3.126 RESID 112 (V): CA 68.000 68.000 64.692 3.308 RESID 113 (V): N 127.800 127.800 120.842 6.958 RESID 113 (V): C 169.600 169.600 177.815 -8.215 RESID 113 (V): CA 68.800 68.800 67.282 1.518 RESID 114 (S): N 117.500 117.500 115.201 2.299 RESID 114 (S): C 175.200 175.200 176.249 -1.049 RESID 114 (S): CA 60.200 60.200 61.432 -1.232 RESID 114 (S): CB 61.890 61.890 62.576 -0.686 RESID 115 (L): N 120.000 120.000 123.962 -3.962 RESID 115 (L): C 173.700 173.700 179.127 -5.427 RESID 115 (L): CA 55.900 55.900 57.949 -2.049 RESID 115 (L): CB 40.600 40.600 41.327 -0.727 RESID 116 (L): N 126.000 126.000 116.291 9.709 RESID 116 (L): C 177.800 177.800 178.860 -1.060 RESID 116 (L): CA 55.900 55.900 58.185 -2.285 RESID 116 (L): CB 40.250 40.250 41.141 -0.891 RESID 117 (K): N 120.900 120.900 120.169 0.731 RESID 117 (K): C 173.200 173.200 178.847 -5.647 RESID 117 (K): CA 57.000 57.000 59.214 -2.214 RESID 117 (K): CB 29.800 29.800 31.700 -1.900 RESID 118 (E): N 118.900 118.900 118.345 0.555 RESID 118 (E): C 177.100 177.100 178.055 -0.955 RESID 118 (E): CA 55.300 55.300 59.311 -4.011 RESID 118 (E): CB 28.000 28.000 29.329 -1.329 RESID 119 (V): N 123.400 123.400 117.208 6.192 RESID 119 (V): C 173.600 173.600 177.169 -3.569 RESID 119 (V): CA 65.330 65.330 66.224 -0.894 RESID 119 (V): CB 29.250 29.250 31.331 -2.081 RESID 120 (N): N 120.300 120.300 119.014 1.286 RESID 120 (N): C 174.500 174.500 177.412 -2.912 RESID 120 (N): CA 55.800 55.800 56.065 -0.265 RESID 120 (N): CB 38.900 38.900 38.078 0.822 RESID 121 (F): N 123.600 123.600 119.916 3.684 RESID 121 (F): C 175.500 175.500 178.150 -2.650 RESID 121 (F): CA 60.500 60.500 62.005 -1.505 RESID 121 (F): CB 37.000 37.000 38.874 -1.874 RESID 122 (Y): N 120.500 120.500 116.132 4.368 RESID 122 (Y): C 176.100 176.100 178.144 -2.044 RESID 122 (Y): CA 60.900 60.900 57.578 3.322 RESID 122 (Y): CB 37.300 37.300 36.648 0.652 RESID 123 (S): N 124.600 124.600 117.063 7.537 RESID 123 (S): C 173.900 173.900 176.717 -2.817 RESID 123 (S): CA 57.740 57.740 62.004 -4.264 RESID 123 (S): CB 59.870 59.870 62.478 -2.608 RESID 124 (G): N 107.700 107.700 110.320 -2.620 RESID 124 (G): C 171.000 171.000 175.819 -4.819 RESID 124 (G): CA 42.750 42.750 47.064 -4.314 RESID 125 (I): N 119.500 119.500 122.568 -3.068 RESID 125 (I): C 175.200 175.200 178.341 -3.141 RESID 125 (I): CA 62.950 62.950 63.984 -1.034 RESID 125 (I): CB 36.960 36.960 37.913 -0.953 RESID 126 (L): N 122.300 122.300 119.859 2.441 RESID 126 (L): C 173.600 173.600 179.010 -5.410 RESID 126 (L): CA 56.250 56.250 57.302 -1.052 RESID 127 (L): N 126.500 126.500 119.716 6.784 RESID 127 (L): C 176.100 176.100 178.842 -2.742 RESID 127 (L): CA 55.220 55.220 58.336 -3.116 RESID 127 (L): CB 41.670 41.670 41.368 0.301 RESID 128 (L): N 121.000 121.000 116.067 4.933 RESID 128 (L): C 175.600 175.600 178.117 -2.517 RESID 128 (L): CA 57.170 57.170 57.850 -0.680 RESID 128 (L): CB 40.300 40.300 39.592 0.708 RESID 129 (A): N 125.800 125.800 123.438 2.362 RESID 129 (A): C 176.000 176.000 179.500 -3.500 RESID 129 (A): CA 52.970 52.970 55.035 -2.065 RESID 129 (A): CB 17.000 17.000 17.960 -0.960 RESID 130 (C): N 120.300 120.300 115.735 4.565 RESID 130 (C): C 177.000 177.000 177.159 -0.159 RESID 130 (C): CA 62.070 62.070 62.126 -0.056 RESID 130 (C): CB 29.880 29.880 27.632 2.248 RESID 131 (I): N 121.300 121.300 124.117 -2.817 RESID 131 (I): C 174.000 174.000 178.742 -4.742 RESID 131 (I): CA 63.080 63.080 63.536 -0.456 RESID 131 (I): CB 36.220 36.220 36.788 -0.568 RESID 132 (S): N 117.700 117.700 116.278 1.422 RESID 132 (S): C 175.100 175.100 176.853 -1.753 RESID 132 (S): CA 63.990 63.990 61.945 2.045 RESID 132 (S): CB 66.120 66.120 62.326 3.794 RESID 133 (V): N 129.800 129.800 122.186 7.614 RESID 133 (V): C 177.700 177.700 177.325 0.375 RESID 133 (V): CA 68.050 68.050 66.889 1.161 RESID 134 (D): N 124.000 124.000 118.980 5.020 RESID 134 (D): C 174.100 174.100 178.660 -4.560 RESID 134 (D): CA 57.500 57.500 57.161 0.339 RESID 134 (D): CB 40.400 40.400 40.729 -0.329 RESID 135 (R): N 124.200 124.200 120.036 4.164 RESID 135 (R): C 174.400 174.400 178.919 -4.519 RESID 135 (R): CA 58.420 58.420 58.822 -0.403 RESID 135 (R): CB 30.700 30.700 29.861 0.839 RESID 136 (Y): N 121.000 121.000 119.650 1.350 RESID 136 (Y): C 176.400 176.400 177.827 -1.427 RESID 136 (Y): CA 60.250 60.250 60.364 -0.114 RESID 136 (Y): CB 37.350 37.350 37.736 -0.386 RESID 137 (L): N 121.400 121.400 116.056 5.344 RESID 137 (L): C 173.700 173.700 178.199 -4.499 RESID 137 (L): CA 54.870 54.870 56.391 -1.520 RESID 137 (L): CB 41.670 41.670 41.123 0.547 RESID 138 (A): N 125.800 125.800 120.397 5.403 RESID 138 (A): C 176.100 176.100 178.217 -2.117 RESID 138 (A): CA 52.860 52.860 54.004 -1.144 RESID 138 (A): CB 17.270 17.270 20.127 -2.857 RESID 139 (I): N 120.000 120.000 116.646 3.354 RESID 139 (I): C 175.700 175.700 175.581 0.119 RESID 139 (I): CA 60.000 60.000 60.850 -0.850 RESID 139 (I): CB 30.290 30.290 39.326 -9.036 RESID 140 (V): N 118.700 118.700 118.962 -0.262 RESID 140 (V): C 173.900 173.900 174.777 -0.877 RESID 140 (V): CA 61.920 61.920 61.103 0.817 RESID 140 (V): CB 30.900 30.900 32.756 -1.856 RESID 141 (H): N 117.200 117.200 122.120 -4.920 RESID 141 (H): C 177.900 177.900 173.850 4.050 RESID 141 (H): CA 58.860 58.860 56.140 2.720 RESID 141 (H): CB 30.090 30.090 29.294 0.796 RESID 142 (A): N 121.200 121.200 124.815 -3.615 RESID 142 (A): C 174.600 174.600 176.719 -2.119 RESID 142 (A): CA 53.170 53.170 52.488 0.682 RESID 142 (A): CB 16.580 16.580 18.497 -1.917 RESID 143 (T): N 118.000 118.000 116.291 1.709 RESID 143 (T): C 177.000 177.000 173.964 3.036 RESID 143 (T): CA 62.520 62.520 63.891 -1.371 RESID 143 (T): CB 64.330 64.330 68.537 -4.207 RESID 144 (R): CA 57.250 57.250 57.741 -0.491 RESID 144 (R): CB 30.340 30.340 31.743 -1.403 RESID 145 (T): N 119.700 119.700 105.558 14.142 RESID 145 (T): C 177.000 177.000 173.737 3.263 RESID 145 (T): CA 62.370 62.370 62.106 0.264 RESID 145 (T): CB 64.120 64.120 69.922 -5.802 RESID 146 (L): N 127.900 127.900 122.493 5.407 RESID 146 (L): C 173.200 173.200 175.612 -2.412 RESID 146 (L): CA 55.790 55.790 54.358 1.433 RESID 146 (L): CB 40.570 40.570 41.090 -0.520 RESID 147 (T): N 124.000 124.000 112.566 11.434 RESID 147 (T): C 177.700 177.700 174.405 3.295 RESID 147 (T): CA 62.050 62.050 61.209 0.841 RESID 147 (T): CB 63.770 63.770 71.376 -7.606 RESID 148 (Q): N 122.800 122.800 121.459 1.341 RESID 148 (Q): C 176.700 176.700 177.324 -0.624 RESID 148 (Q): CA 53.470 53.470 56.490 -3.020 RESID 148 (Q): CB 29.310 29.310 30.003 -0.693 RESID 149 (K): N 120.900 120.900 122.205 -1.305 RESID 149 (K): C 175.900 175.900 178.469 -2.569 RESID 149 (K): CA 59.440 59.440 59.146 0.294 RESID 150 (R): N 122.200 122.200 119.082 3.118 RESID 150 (R): C 177.500 177.500 178.015 -0.515 RESID 150 (R): CA 56.700 56.700 59.415 -2.715 RESID 150 (R): CB 31.150 31.150 29.316 1.834 RESID 151 (H): N 117.300 117.300 117.152 0.148 RESID 151 (H): C 177.800 177.800 177.629 0.171 RESID 151 (H): CA 59.130 59.130 59.986 -0.856 RESID 151 (H): CB 29.400 29.400 29.289 0.111 RESID 152 (L): N 120.400 120.400 119.915 0.485 RESID 152 (L): C 176.800 176.800 178.122 -1.322 RESID 152 (L): CA 56.150 56.150 58.373 -2.223 RESID 152 (L): CB 39.810 39.810 41.874 -2.064 RESID 153 (V): N 121.500 121.500 118.450 3.050 RESID 153 (V): C 174.300 174.300 178.547 -4.247 RESID 153 (V): CA 61.240 61.240 65.477 -4.237 RESID 154 (K): N 117.000 117.000 121.732 -4.732 RESID 154 (K): C 175.300 175.300 178.657 -3.357 RESID 154 (K): CA 59.000 59.000 59.087 -0.087 RESID 155 (F): N 121.100 121.100 120.659 0.441 RESID 155 (F): C 176.600 176.600 177.357 -0.757 RESID 155 (F): CA 61.200 61.200 61.166 0.034 RESID 156 (V): N 123.800 123.800 119.654 4.146 RESID 156 (V): C 177.700 177.700 177.709 -0.009 RESID 156 (V): CA 62.170 62.170 67.259 -5.089 RESID 156 (V): CB 33.400 33.400 31.160 2.240 RESID 157 (C): CA 58.260 58.260 63.784 -5.524 RESID 158 (L): N 122.900 122.900 121.020 1.880 RESID 158 (L): C 175.500 175.500 178.591 -3.091 RESID 158 (L): CA 55.750 55.750 58.427 -2.677 RESID 159 (G): N 104.900 104.900 106.230 -1.330 RESID 159 (G): C 176.200 176.200 176.288 -0.088 RESID 159 (G): CA 44.750 44.750 47.181 -2.431 RESID 160 (C): N 116.700 116.700 120.786 -4.086 RESID 160 (C): C 181.100 181.100 177.150 3.950 RESID 160 (C): CA 59.000 59.000 63.598 -4.598 RESID 160 (C): CB 29.130 29.130 26.675 2.455 RESID 161 (W): N 119.000 119.000 121.214 -2.214 RESID 161 (W): C 174.900 174.900 179.218 -4.318 RESID 161 (W): CA 55.880 55.880 59.955 -4.075 RESID 162 (G): N 108.300 108.300 106.200 2.100 RESID 162 (G): C 173.600 173.600 175.728 -2.128 RESID 162 (G): CA 45.100 45.100 47.356 -2.256 RESID 163 (L): N 120.200 120.200 122.282 -2.082 RESID 163 (L): C 173.500 173.500 178.650 -5.150 RESID 163 (L): CA 55.800 55.800 56.667 -0.867 RESID 163 (L): CB 39.850 39.850 41.890 -2.040 RESID 164 (S): N 117.200 117.200 115.740 1.460 RESID 164 (S): C 175.000 175.000 176.917 -1.917 RESID 164 (S): CA 55.600 55.600 61.404 -5.803 RESID 164 (S): CB 65.660 65.660 62.671 2.989 RESID 165 (M): N 121.200 121.200 121.755 -0.555 RESID 165 (M): C 175.500 175.500 178.531 -3.031 RESID 165 (M): CA 57.600 57.600 58.414 -0.814 RESID 165 (M): CB 30.000 30.000 31.944 -1.944 RESID 166 (N): N 120.200 120.200 118.054 2.146 RESID 166 (N): C 176.500 176.500 177.361 -0.861 RESID 166 (N): CA 56.080 56.080 55.870 0.210 RESID 166 (N): CB 38.940 38.940 38.329 0.611 RESID 167 (L): N 120.800 120.800 120.095 0.705 RESID 167 (L): C 177.200 177.200 177.143 0.057 RESID 167 (L): CA 64.900 64.900 57.777 7.123 RESID 167 (L): CB 36.400 36.400 42.408 -6.008 RESID 168 (S): N 119.400 119.400 113.073 6.327 RESID 168 (S): C 174.100 174.100 176.781 -2.681 RESID 168 (S): CA 55.700 55.700 59.989 -4.289 RESID 168 (S): CB 57.600 57.600 64.118 -6.518 RESID 169 (L): N 122.900 122.900 124.191 -1.291 RESID 169 (L): C 177.500 177.500 175.812 1.688 RESID 169 (L): CA 56.460 56.460 60.207 -3.747 RESID 169 (L): CB 39.200 39.200 39.599 -0.399 RESID 171 (F): N 118.600 118.600 116.665 1.935 RESID 171 (F): C 173.600 173.600 175.978 -2.378 RESID 171 (F): CA 61.700 61.700 60.164 1.536 RESID 172 (F): N 116.300 116.300 116.000 0.300 RESID 172 (F): C 174.200 174.200 176.899 -2.699 RESID 172 (F): CA 59.500 59.500 60.387 -0.887 RESID 172 (F): CB 42.000 42.000 38.555 3.445 RESID 173 (L): N 120.400 120.400 117.895 2.505 RESID 173 (L): C 177.300 177.300 178.307 -1.007 RESID 173 (L): CA 54.730 54.730 57.474 -2.744 RESID 173 (L): CB 37.230 37.230 42.548 -5.318 RESID 174 (F): N 121.200 121.200 113.884 7.316 RESID 174 (F): C 177.000 177.000 174.739 2.261 RESID 174 (F): CA 59.000 59.000 57.175 1.825 RESID 174 (F): CB 43.220 43.220 42.151 1.069 RESID 175 (R): N 118.500 118.500 121.369 -2.869 RESID 175 (R): C 178.400 178.400 175.479 2.921 RESID 175 (R): CA 56.200 56.200 55.789 0.411 RESID 176 (Q): N 122.100 122.100 118.785 3.315 RESID 176 (Q): C 178.000 178.000 174.220 3.780 RESID 176 (Q): CA 56.200 56.200 57.767 -1.567 RESID 177 (A): N 123.200 123.200 119.251 3.949 RESID 177 (A): C 176.900 176.900 175.668 1.232 RESID 177 (A): CA 54.300 54.300 51.861 2.439 RESID 177 (A): CB 16.870 16.870 20.398 -3.528 RESID 178 (Y): N 120.700 120.700 119.784 0.916 RESID 178 (Y): C 174.800 174.800 175.613 -0.813 RESID 178 (Y): CA 56.600 56.600 57.485 -0.885 RESID 178 (Y): CB 39.900 39.900 39.270 0.630 RESID 179 (H): N 119.600 119.600 117.641 1.959 RESID 179 (H): C 176.600 176.600 173.307 3.293 RESID 179 (H): CA 58.220 58.220 52.017 6.203 RESID 179 (H): CB 31.560 31.560 29.434 2.126 RESID 181 (N): N 119.200 119.200 115.671 3.529 RESID 181 (N): C 172.500 172.500 174.221 -1.721 RESID 181 (N): CA 56.150 56.150 52.120 4.030 RESID 181 (N): CB 36.500 36.500 40.987 -4.487 RESID 182 (N): N 114.100 114.100 120.878 -6.778 RESID 182 (N): C 175.800 175.800 173.283 2.517 RESID 182 (N): CA 55.500 55.500 55.355 0.145 RESID 183 (S): N 117.200 117.200 114.665 2.535 RESID 183 (S): C 175.600 175.600 172.650 2.950 RESID 183 (S): CA 55.400 55.400 57.449 -2.049 RESID 183 (S): CB 63.800 63.800 63.205 0.595 RESID 184 (S): N 117.000 117.000 115.550 1.450 RESID 184 (S): C 175.000 175.000 172.195 2.805 RESID 184 (S): CA 55.500 55.500 56.660 -1.160 RESID 184 (S): CB 63.800 63.800 65.857 -2.057 RESID 186 (V): N 119.500 119.500 116.245 3.255 RESID 186 (V): C 175.300 175.300 174.789 0.511 RESID 186 (V): CA 65.290 65.290 60.904 4.386 RESID 186 (V): CB 30.120 30.120 32.680 -2.560 RESID 187 (C): N 116.500 116.500 125.918 -9.418 RESID 187 (C): C 176.300 176.300 173.975 2.325 RESID 187 (C): CA 56.000 56.000 59.230 -3.229 RESID 187 (C): CB 40.000 40.000 28.575 11.425 RESID 188 (Y): N 121.300 121.300 123.384 -2.084 RESID 188 (Y): C 176.500 176.500 173.680 2.820 RESID 188 (Y): CA 55.860 55.860 55.686 0.174 RESID 188 (Y): CB 40.240 40.240 40.500 -0.260 RESID 189 (E): N 122.000 122.000 119.978 2.022 RESID 189 (E): C 175.500 175.500 175.680 -0.180 RESID 189 (E): CA 57.900 57.900 56.716 1.184 RESID 189 (E): CB 31.840 31.840 29.965 1.875 RESID 190 (V): N 123.500 123.500 115.948 7.552 RESID 190 (V): C 172.800 172.800 176.964 -4.164 RESID 190 (V): CA 65.670 65.670 62.546 3.124 RESID 190 (V): CB 29.200 29.200 32.070 -2.870 RESID 191 (L): N 129.900 129.900 125.580 4.320 RESID 191 (L): CA 55.500 55.500 57.227 -1.727 RESID 192 (G): N 107.500 107.500 101.697 5.803 RESID 192 (G): C 173.500 173.500 173.289 0.211 RESID 192 (G): CA 44.870 44.870 44.476 0.394 RESID 193 (N): N 116.600 116.600 116.952 -0.352 RESID 193 (N): CA 52.800 52.800 55.451 -2.651 RESID 193 (N): CB 39.560 39.560 38.828 0.732 RESID 194 (D): N 123.100 123.100 116.114 6.986 RESID 194 (D): C 172.800 172.800 176.464 -3.664 RESID 194 (D): CA 53.900 53.900 54.691 -0.791 RESID 194 (D): CB 39.700 39.700 39.935 -0.235 RESID 195 (T): N 118.800 118.800 111.243 7.557 RESID 195 (T): C 175.500 175.500 175.906 -0.406 RESID 195 (T): CA 63.000 63.000 64.978 -1.978 RESID 196 (A): N 123.300 123.300 124.185 -0.885 RESID 196 (A): C 173.000 173.000 177.697 -4.697 RESID 196 (A): CA 53.800 53.800 54.589 -0.789 RESID 196 (A): CB 17.240 17.240 18.797 -1.556 RESID 197 (K): N 121.700 121.700 114.806 6.894 RESID 197 (K): C 175.000 175.000 175.162 -0.162 RESID 197 (K): CA 56.900 56.900 54.569 2.331 RESID 197 (K): CB 29.900 29.900 33.456 -3.556 RESID 198 (W): N 120.700 120.700 118.057 2.643 RESID 198 (W): C 177.600 177.600 176.478 1.122 RESID 198 (W): CA 59.300 59.300 56.889 2.412 RESID 198 (W): CB 29.700 29.700 25.521 4.179 RESID 199 (R): N 123.500 123.500 120.155 3.345 RESID 199 (R): C 178.100 178.100 177.680 0.420 RESID 199 (R): CA 55.950 55.950 58.764 -2.814 RESID 199 (R): CB 31.060 31.060 29.669 1.391 RESID 200 (M): N 119.900 119.900 119.410 0.490 RESID 200 (M): C 175.400 175.400 177.907 -2.507 RESID 200 (M): CA 58.100 58.100 58.577 -0.477 RESID 200 (M): CB 31.100 31.100 32.277 -1.177 RESID 201 (V): N 123.700 123.700 117.548 6.152 RESID 201 (V): C 174.900 174.900 177.642 -2.742 RESID 201 (V): CA 65.700 65.700 64.743 0.957 RESID 201 (V): CB 29.180 29.180 30.613 -1.433 RESID 202 (L): N 124.000 124.000 121.013 2.987 RESID 202 (L): C 172.700 172.700 178.000 -5.300 RESID 202 (L): CA 54.800 54.800 58.664 -3.864 RESID 203 (R): N 124.000 124.000 118.132 5.868 RESID 203 (R): C 176.200 176.200 178.241 -2.041 RESID 203 (R): CA 55.800 55.800 58.809 -3.009 RESID 203 (R): CB 31.260 31.260 29.526 1.734 RESID 204 (I): N 120.500 120.500 118.423 2.077 RESID 204 (I): C 176.000 176.000 177.222 -1.222 RESID 204 (I): CA 64.700 64.700 63.332 1.368 RESID 204 (I): CB 36.400 36.400 38.158 -1.758 RESID 205 (L): N 123.400 123.400 121.522 1.878 RESID 205 (L): C 176.000 176.000 176.298 -0.298 RESID 205 (L): CA 55.000 55.000 60.787 -5.787 RESID 206 (P): CA 62.500 62.500 65.825 -3.325 RESID 207 (H): N 113.500 113.500 118.228 -4.728 RESID 207 (H): C 175.200 175.200 177.368 -2.168 RESID 207 (H): CA 53.110 53.110 60.069 -6.959 RESID 207 (H): CB 30.000 30.000 30.098 -0.098 RESID 208 (T): N 122.100 122.100 116.283 5.817 RESID 208 (T): C 178.000 178.000 176.177 1.823 RESID 208 (T): CA 62.850 62.850 66.462 -3.612 RESID 209 (F): N 117.500 117.500 119.462 -1.962 RESID 209 (F): C 175.400 175.400 175.534 -0.134 RESID 209 (F): CA 59.850 59.850 58.529 1.321 RESID 210 (G): N 111.700 111.700 106.152 5.548 RESID 210 (G): C 174.100 174.100 174.588 -0.488 RESID 210 (G): CA 45.000 45.000 45.944 -0.944 RESID 211 (F): N 120.900 120.900 117.124 3.776 RESID 211 (F): C 175.000 175.000 176.793 -1.793 RESID 211 (F): CA 55.950 55.950 58.768 -2.818 RESID 212 (I): N 120.100 120.100 121.757 -1.657 RESID 212 (I): C 175.900 175.900 177.908 -2.008 RESID 212 (I): CA 64.440 64.440 64.403 0.037 RESID 212 (I): CB 36.600 36.600 37.120 -0.520 RESID 213 (V): N 123.400 123.400 119.167 4.233 RESID 213 (V): C 175.300 175.300 174.984 0.316 RESID 213 (V): CA 65.750 65.750 68.819 -3.069 RESID 213 (V): CB 29.680 29.680 28.559 1.121 RESID 215 (L): N 125.300 125.300 120.376 4.924 RESID 215 (L): C 177.200 177.200 178.572 -1.372 RESID 215 (L): CA 55.700 55.700 58.475 -2.775 RESID 215 (L): CB 40.150 40.150 41.992 -1.842 RESID 216 (F): N 123.800 123.800 118.659 5.141 RESID 216 (F): C 179.200 179.200 178.016 1.184 RESID 216 (F): CA 60.650 60.650 62.465 -1.815 RESID 216 (F): CB 37.000 37.000 38.699 -1.699 RESID 217 (V): N 118.500 118.500 120.014 -1.514 RESID 217 (V): C 175.400 175.400 177.832 -2.432 RESID 217 (V): CA 65.660 65.660 67.185 -1.525 RESID 217 (V): CB 29.920 29.920 31.776 -1.856 RESID 218 (M): N 118.300 118.300 119.214 -0.914 RESID 218 (M): C 174.400 174.400 178.752 -4.352 RESID 218 (M): CA 55.000 55.000 58.907 -3.906 RESID 218 (M): CB 31.650 31.650 31.903 -0.253 RESID 219 (L): N 120.500 120.500 119.023 1.477 RESID 219 (L): C 177.600 177.600 179.444 -1.844 RESID 219 (L): CA 55.800 55.800 57.612 -1.812 RESID 219 (L): CB 40.810 40.810 40.210 0.600 RESID 220 (F): N 124.700 124.700 118.807 5.893 RESID 220 (F): C 176.000 176.000 177.877 -1.877 RESID 220 (F): CA 61.170 61.170 60.883 0.287 RESID 221 (C): N 117.800 117.800 118.422 -0.622 RESID 221 (C): C 176.000 176.000 176.798 -0.798 RESID 221 (C): CA 61.870 61.870 62.242 -0.372 RESID 222 (Y): N 122.000 122.000 122.326 -0.326 RESID 222 (Y): C 178.400 178.400 177.905 0.495 RESID 222 (Y): CA 57.500 57.500 60.969 -3.469 RESID 222 (Y): CB 37.150 37.150 37.471 -0.321 RESID 223 (G): N 110.300 110.300 106.240 4.060 RESID 223 (G): C 174.500 174.500 176.269 -1.769 RESID 223 (G): CA 41.700 41.700 47.096 -5.396 RESID 224 (F): N 120.100 120.100 120.113 -0.013 RESID 224 (F): C 176.500 176.500 178.709 -2.209 RESID 224 (F): CA 62.300 62.300 58.266 4.034 RESID 224 (F): CB 36.900 36.900 38.046 -1.146 RESID 225 (T): N 118.500 118.500 117.394 1.106 RESID 225 (T): C 175.000 175.000 176.690 -1.690 RESID 225 (T): CA 64.650 64.650 65.834 -1.184 RESID 226 (L): N 122.900 122.900 121.393 1.507 RESID 226 (L): C 177.200 177.200 178.116 -0.916 RESID 226 (L): CA 55.900 55.900 55.984 -0.084 RESID 226 (L): CB 39.400 39.400 40.550 -1.151 RESID 227 (R): N 121.000 121.000 117.043 3.957 RESID 227 (R): C 177.200 177.200 177.848 -0.648 RESID 227 (R): CA 54.600 54.600 58.852 -4.252 RESID 227 (R): CB 28.500 28.500 30.314 -1.814 RESID 228 (T): N 119.600 119.600 112.053 7.547 RESID 228 (T): C 176.900 176.900 175.151 1.749 RESID 228 (T): CA 64.750 64.750 63.430 1.320 RESID 228 (T): CB 66.560 66.560 70.760 -4.199 RESID 229 (L): N 125.600 125.600 124.811 0.789 RESID 229 (L): C 177.800 177.800 176.425 1.375 RESID 229 (L): CA 55.700 55.700 53.406 2.294 RESID 229 (L): CB 40.260 40.260 40.889 -0.629 RESID 230 (F): N 121.900 121.900 125.171 -3.271 RESID 230 (F): C 176.900 176.900 176.509 0.391 RESID 230 (F): CA 58.770 58.770 61.212 -2.442 RESID 230 (F): CB 41.940 41.940 39.416 2.524 RESID 231 (K): N 121.600 121.600 120.169 1.431 RESID 231 (K): C 174.900 174.900 175.649 -0.749 RESID 231 (K): CA 56.000 56.000 56.270 -0.270 RESID 231 (K): CB 30.900 30.900 32.292 -1.392 RESID 232 (A): N 123.500 123.500 124.313 -0.813 RESID 232 (A): C 176.900 176.900 176.417 0.483 RESID 232 (A): CA 54.000 54.000 53.139 0.861 RESID 232 (A): CB 21.830 21.830 18.022 3.808 RESID 233 (H): N 123.500 123.500 117.327 6.173 RESID 233 (H): C 176.100 176.100 173.345 2.755 RESID 233 (H): CA 55.700 55.700 54.026 1.675 RESID 233 (H): CB 29.060 29.060 29.727 -0.667 RESID 234 (M): N 120.000 120.000 121.596 -1.596 RESID 234 (M): C 176.700 176.700 176.525 0.175 RESID 234 (M): CA 58.000 58.000 54.903 3.097 RESID 234 (M): CB 31.810 31.810 32.792 -0.982 RESID 235 (G): N 109.600 109.600 112.178 -2.578 RESID 235 (G): C 173.300 173.300 174.667 -1.367 RESID 235 (G): CA 42.800 42.800 45.769 -2.969 RESID 236 (Q): N 116.800 116.800 120.122 -3.322 RESID 236 (Q): C 173.100 173.100 176.100 -3.000 RESID 236 (Q): CA 55.000 55.000 56.248 -1.248 RESID 236 (Q): CB 25.400 25.400 27.856 -2.456 RESID 237 (K): N 123.200 123.200 119.744 3.456 RESID 237 (K): C 178.100 178.100 176.782 1.318 RESID 237 (K): CA 56.000 56.000 58.965 -2.965 RESID 237 (K): CB 31.110 31.110 32.356 -1.246 RESID 238 (H): N 123.600 123.600 112.911 10.689 RESID 238 (H): C 177.000 177.000 176.975 0.025 RESID 238 (H): CA 54.720 54.720 57.157 -2.437 RESID 238 (H): CB 30.000 30.000 31.961 -1.961 RESID 239 (R): N 122.100 122.100 122.455 -0.355 RESID 239 (R): C 176.600 176.600 177.777 -1.177 RESID 239 (R): CA 55.650 55.650 59.512 -3.862 RESID 239 (R): CB 31.100 31.100 29.882 1.218 RESID 240 (A): N 121.800 121.800 121.955 -0.155 RESID 240 (A): C 175.900 175.900 179.626 -3.726 RESID 240 (A): CA 52.800 52.800 55.003 -2.203 RESID 240 (A): CB 16.700 16.700 17.804 -1.104 RESID 241 (M): N 120.200 120.200 117.593 2.607 RESID 241 (M): C 175.600 175.600 178.499 -2.899 RESID 241 (M): CA 58.100 58.100 58.886 -0.786 RESID 241 (M): CB 31.810 31.810 32.657 -0.847 RESID 242 (R): N 121.200 121.200 119.638 1.562 RESID 242 (R): C 177.400 177.400 178.663 -1.263 RESID 242 (R): CA 56.000 56.000 58.643 -2.643 RESID 242 (R): CB 30.910 30.910 29.138 1.772 RESID 243 (V): N 119.700 119.700 121.543 -1.843 RESID 243 (V): C 175.600 175.600 178.149 -2.549 RESID 243 (V): CA 65.470 65.470 66.946 -1.476 RESID 243 (V): CB 29.400 29.400 31.283 -1.883 RESID 244 (I): N 120.900 120.900 120.803 0.097 RESID 244 (I): C 175.500 175.500 177.869 -2.369 RESID 244 (I): CA 64.600 64.600 65.244 -0.644 RESID 244 (I): CB 36.800 36.800 37.245 -0.445 RESID 245 (F): N 117.200 117.200 119.922 -2.722 RESID 245 (F): C 175.100 175.100 176.609 -1.509 RESID 245 (F): CA 60.200 60.200 61.470 -1.270 RESID 245 (F): CB 39.770 39.770 38.275 1.496 RESID 246 (A): N 122.300 122.300 122.521 -0.221 RESID 246 (A): C 177.700 177.700 179.009 -1.309 RESID 246 (A): CA 53.200 53.200 54.933 -1.733 RESID 246 (A): CB 16.880 16.880 18.013 -1.133 RESID 247 (V): N 121.000 121.000 115.600 5.400 RESID 247 (V): C 175.000 175.000 177.464 -2.464 RESID 247 (V): CA 66.450 66.450 66.188 0.262 RESID 247 (V): CB 29.550 29.550 31.315 -1.765 RESID 248 (V): N 122.300 122.300 120.620 1.680 RESID 248 (V): C 177.200 177.200 178.432 -1.232 RESID 248 (V): CA 64.860 64.860 66.271 -1.411 RESID 248 (V): CB 30.140 30.140 30.495 -0.355 RESID 249 (L): N 119.300 119.300 120.791 -1.491 RESID 249 (L): C 176.400 176.400 179.110 -2.710 RESID 249 (L): CA 56.180 56.180 57.900 -1.720 RESID 249 (L): CB 40.650 40.650 41.067 -0.417 RESID 250 (I): N 121.200 121.200 119.673 1.527 RESID 250 (I): C 176.900 176.900 178.273 -1.373 RESID 250 (I): CA 64.200 64.200 65.396 -1.196 RESID 250 (I): CB 36.700 36.700 36.909 -0.209 RESID 251 (F): N 125.100 125.100 118.503 6.597 RESID 251 (F): C 177.100 177.100 178.384 -1.284 RESID 251 (F): CA 59.800 59.800 61.847 -2.047 RESID 252 (L): N 118.800 118.800 119.363 -0.563 RESID 252 (L): C 176.700 176.700 179.050 -2.350 RESID 252 (L): CA 56.000 56.000 57.132 -1.132 RESID 252 (L): CB 40.700 40.700 41.204 -0.504 RESID 253 (L): N 121.800 121.800 122.279 -0.479 RESID 253 (L): C 176.700 176.700 178.009 -1.309 RESID 253 (L): CA 56.220 56.220 58.487 -2.267 RESID 253 (L): CB 40.000 40.000 41.986 -1.986 RESID 254 (C): N 119.800 119.800 117.063 2.737 RESID 254 (C): C 176.800 176.800 176.684 0.116 RESID 254 (C): CA 58.300 58.300 59.868 -1.568 RESID 254 (C): CB 28.040 28.040 28.233 -0.193 RESID 255 (W): N 121.300 121.300 123.095 -1.795 RESID 255 (W): C 178.400 178.400 176.912 1.488 RESID 255 (W): CA 56.940 56.940 59.544 -2.604 RESID 255 (W): CB 29.850 29.850 29.893 -0.043 RESID 256 (L): N 124.900 124.900 123.884 1.016 RESID 256 (L): C 177.700 177.700 175.853 1.847 RESID 256 (L): CA 55.840 55.840 60.647 -4.807 RESID 256 (L): CB 40.000 40.000 39.994 0.006 RESID 258 (Y): N 124.900 124.900 119.409 5.491 RESID 258 (Y): C 179.000 179.000 177.305 1.695 RESID 258 (Y): CA 58.330 58.330 60.949 -2.619 RESID 258 (Y): CB 42.070 42.070 37.441 4.629 RESID 259 (N): N 123.000 123.000 117.988 5.012 RESID 259 (N): C 173.000 173.000 177.201 -4.201 RESID 259 (N): CA 53.900 53.900 55.665 -1.765 RESID 259 (N): CB 37.620 37.620 37.582 0.038 RESID 260 (L): N 121.800 121.800 121.837 -0.037 RESID 260 (L): C 175.300 175.300 178.201 -2.901 RESID 260 (L): CA 56.190 56.190 58.221 -2.031 RESID 260 (L): CB 39.060 39.060 41.920 -2.860 RESID 261 (V): N 118.600 118.600 118.771 -0.171 RESID 261 (V): C 175.000 175.000 177.472 -2.472 RESID 261 (V): CA 65.200 65.200 66.438 -1.238 RESID 261 (V): CB 29.620 29.620 31.900 -2.280 RESID 262 (L): N 121.800 121.800 120.829 0.971 RESID 262 (L): C 176.600 176.600 178.498 -1.898 RESID 262 (L): CA 56.000 56.000 58.400 -2.400 RESID 262 (L): CB 40.070 40.070 41.472 -1.402 RESID 263 (L): N 123.500 123.500 118.717 4.783 RESID 263 (L): C 176.000 176.000 178.740 -2.740 RESID 263 (L): CA 55.600 55.600 58.118 -2.518 RESID 263 (L): CB 40.620 40.620 41.379 -0.759 RESID 264 (A): N 122.200 122.200 121.178 1.022 RESID 264 (A): C 174.400 174.400 179.146 -4.746 RESID 264 (A): CA 53.300 53.300 55.351 -2.051 RESID 264 (A): CB 15.820 15.820 17.794 -1.974 RESID 265 (D): N 126.500 126.500 119.057 7.443 RESID 265 (D): C 171.600 171.600 179.248 -7.648 RESID 265 (D): CA 56.300 56.300 57.129 -0.829 RESID 266 (T): N 120.700 120.700 116.455 4.245 RESID 266 (T): C 175.300 175.300 176.129 -0.829 RESID 266 (T): CA 60.300 60.300 65.585 -5.285 RESID 267 (L): N 121.600 121.600 119.736 1.864 RESID 267 (L): C 176.100 176.100 177.380 -1.280 RESID 267 (L): CA 55.950 55.950 55.740 0.210 RESID 267 (L): CB 40.130 40.130 41.723 -1.593 RESID 268 (M): N 120.200 120.200 116.755 3.445 RESID 268 (M): C 176.800 176.800 175.727 1.073 RESID 268 (M): CA 58.200 58.200 55.101 3.099 RESID 268 (M): CB 31.900 31.900 31.689 0.211 RESID 269 (R): N 116.700 116.700 119.456 -2.756 RESID 269 (R): C 175.500 175.500 177.653 -2.153 RESID 269 (R): CA 57.000 57.000 58.051 -1.052 RESID 269 (R): CB 29.700 29.700 28.490 1.210 RESID 270 (T): N 117.100 117.100 107.556 9.544 RESID 270 (T): C 175.700 175.700 173.819 1.881 RESID 270 (T): CA 64.000 64.000 64.616 -0.616 RESID 271 (Q): N 122.800 122.800 120.383 2.417 RESID 271 (Q): C 176.000 176.000 175.740 0.260 RESID 271 (Q): CA 57.400 57.400 54.796 2.604 RESID 272 (V): N 121.300 121.300 119.194 2.106 RESID 272 (V): C 176.000 176.000 176.125 -0.125 RESID 272 (V): CA 63.670 63.670 64.286 -0.616 RESID 272 (V): CB 35.310 35.310 31.643 3.667 RESID 273 (I): N 123.300 123.300 123.225 0.075 RESID 273 (I): C 178.300 178.300 174.804 3.496 RESID 273 (I): CA 64.000 64.000 61.960 2.040 RESID 273 (I): CB 36.000 36.000 39.057 -3.057 RESID 274 (Q): N 123.400 123.400 121.246 2.154 RESID 274 (Q): C 176.000 176.000 175.010 0.990 RESID 274 (Q): CA 56.950 56.950 57.260 -0.310 RESID 275 (E): N 123.600 123.600 114.621 8.979 RESID 275 (E): C 177.200 177.200 175.675 1.525 RESID 275 (E): CA 55.730 55.730 55.729 0.001 RESID 275 (E): CB 29.130 29.130 31.437 -2.307 RESID 276 (S): N 116.400 116.400 118.494 -2.094 RESID 276 (S): CA 61.300 61.300 61.736 -0.436 RESID 276 (S): CB 63.340 63.340 63.423 -0.083 RESID 277 (C): N 117.200 117.200 121.909 -4.709 RESID 277 (C): C 175.600 175.600 177.556 -1.956 RESID 277 (C): CA 55.300 55.300 63.557 -8.257 RESID 277 (C): CB 25.240 25.240 26.356 -1.116 RESID 278 (E): N 120.900 120.900 119.856 1.044 RESID 278 (E): C 175.200 175.200 179.095 -3.895 RESID 278 (E): CA 58.200 58.200 59.731 -1.531 RESID 278 (E): CB 28.890 28.890 29.343 -0.453 RESID 279 (R): N 123.000 123.000 119.324 3.676 RESID 279 (R): C 176.600 176.600 178.924 -2.324 RESID 279 (R): CA 56.200 56.200 58.551 -2.351 RESID 279 (R): CB 29.500 29.500 30.105 -0.605 RESID 280 (R): N 124.000 124.000 117.165 6.835 RESID 280 (R): C 176.300 176.300 177.267 -0.967 RESID 280 (R): CA 55.870 55.870 58.365 -2.495 RESID 280 (R): CB 28.250 28.250 30.047 -1.797 RESID 281 (N): N 121.100 121.100 117.559 3.541 RESID 281 (N): C 174.600 174.600 177.500 -2.900 RESID 281 (N): CA 51.880 51.880 55.324 -3.444 RESID 281 (N): CB 37.700 37.700 39.001 -1.301 RESID 282 (N): N 121.600 121.600 119.394 2.206 RESID 282 (N): C 176.600 176.600 177.818 -1.218 RESID 282 (N): CA 55.800 55.800 55.999 -0.199 RESID 282 (N): CB 39.000 39.000 38.497 0.503 RESID 283 (I): N 120.800 120.800 119.035 1.765 RESID 283 (I): C 175.200 175.200 177.021 -1.821 RESID 283 (I): CA 64.500 64.500 61.901 2.599 RESID 283 (I): CB 36.600 36.600 37.393 -0.793 RESID 284 (G): N 110.500 110.500 106.349 4.151 RESID 284 (G): C 176.800 176.800 175.499 1.301 RESID 284 (G): CA 41.400 41.400 45.697 -4.298 RESID 286 (A): N 122.800 122.800 121.864 0.936 RESID 286 (A): C 178.500 178.500 179.397 -0.897 RESID 286 (A): CA 53.840 53.840 54.558 -0.718 RESID 286 (A): CB 16.630 16.630 18.251 -1.621 RESID 287 (L): N 125.500 125.500 118.504 6.996 RESID 287 (L): C 175.800 175.800 177.762 -1.962 RESID 287 (L): CA 56.150 56.150 57.704 -1.554 RESID 287 (L): CB 40.200 40.200 41.370 -1.169 RESID 288 (D): N 116.800 116.800 117.893 -1.093 RESID 288 (D): C 176.500 176.500 177.485 -0.985 RESID 288 (D): CA 56.250 56.250 56.332 -0.082 RESID 289 (A): N 124.600 124.600 122.249 2.351 RESID 289 (A): C 177.500 177.500 179.590 -2.090 RESID 289 (A): CA 53.250 53.250 55.088 -1.838 RESID 289 (A): CB 16.900 16.900 17.936 -1.036 RESID 290 (T): N 114.900 114.900 112.276 2.624 RESID 290 (T): C 177.000 177.000 176.505 0.495 RESID 290 (T): CA 64.100 64.100 65.024 -0.924 RESID 291 (E): N 120.800 120.800 122.535 -1.735 RESID 291 (E): C 177.000 177.000 178.696 -1.696 RESID 291 (E): CA 57.500 57.500 59.295 -1.795 RESID 291 (E): CB 29.700 29.700 29.192 0.508 RESID 292 (I): N 121.300 121.300 119.450 1.850 RESID 292 (I): C 176.000 176.000 178.448 -2.448 RESID 292 (I): CA 64.300 64.300 65.075 -0.775 RESID 292 (I): CB 36.640 36.640 37.425 -0.785 RESID 293 (L): N 122.700 122.700 119.795 2.905 RESID 293 (L): C 175.100 175.100 178.946 -3.846 RESID 293 (L): CA 55.600 55.600 57.265 -1.665 RESID 293 (L): CB 39.440 39.440 41.097 -1.657 RESID 294 (G): N 108.500 108.500 107.064 1.436 RESID 294 (G): C 173.800 173.800 176.346 -2.546 RESID 294 (G): CA 45.030 45.030 46.922 -1.892 RESID 295 (F): N 121.600 121.600 123.159 -1.559 RESID 295 (F): C 177.500 177.500 176.710 0.790 RESID 295 (F): CA 58.500 58.500 58.938 -0.438 RESID 296 (L): N 120.900 120.900 119.790 1.110 RESID 296 (L): C 175.300 175.300 177.763 -2.463 RESID 296 (L): CA 55.900 55.900 56.477 -0.577 RESID 296 (L): CB 40.000 40.000 40.097 -0.097 RESID 297 (H): N 120.600 120.600 116.554 4.046 RESID 297 (H): C 176.600 176.600 175.777 0.823 RESID 297 (H): CA 57.700 57.700 58.023 -0.323 RESID 297 (H): CB 30.130 30.130 29.368 0.762 RESID 298 (S): N 122.500 122.500 110.860 11.640 RESID 298 (S): C 177.700 177.700 174.005 3.695 RESID 298 (S): CA 62.580 62.580 58.305 4.275 RESID 298 (S): CB 64.530 64.530 63.799 0.731 RESID 299 (C): N 121.600 121.600 119.986 1.614 RESID 299 (C): C 177.300 177.300 175.543 1.757 RESID 299 (C): CA 59.200 59.200 58.642 0.557 RESID 299 (C): CB 27.360 27.360 29.396 -2.036 RESID 300 (L): N 121.300 121.300 122.983 -1.683 RESID 300 (L): C 179.000 179.000 178.170 0.830 RESID 300 (L): CA 54.960 54.960 57.826 -2.866 RESID 300 (L): CB 40.740 40.740 41.468 -0.728 RESID 301 (N): N 119.000 119.000 119.222 -0.222 RESID 301 (N): C 176.600 176.600 174.481 2.119 RESID 301 (N): CA 53.300 53.300 57.546 -4.246 RESID 301 (N): CB 36.760 36.760 36.624 0.136 RESID 302 (P): CA 58.860 58.860 65.846 -6.986 RESID 303 (I): N 120.900 120.900 119.258 1.642 RESID 303 (I): C 173.700 173.700 178.278 -4.578 RESID 303 (I): CA 66.500 66.500 65.445 1.055 RESID 303 (I): CB 36.650 36.650 37.847 -1.198 RESID 304 (I): N 120.400 120.400 120.326 0.074 RESID 304 (I): C 175.900 175.900 177.566 -1.666 RESID 304 (I): CA 65.800 65.800 64.192 1.608 RESID 304 (I): CB 36.330 36.330 37.500 -1.170 RESID 305 (Y): N 120.300 120.300 119.920 0.380 RESID 305 (Y): C 174.800 174.800 177.167 -2.367 RESID 305 (Y): CA 56.700 56.700 62.440 -5.740 RESID 305 (Y): CB 37.900 37.900 38.051 -0.151 RESID 306 (A): N 123.300 123.300 121.064 2.236 RESID 306 (A): C 172.000 172.000 179.091 -7.091 RESID 306 (A): CA 54.350 54.350 54.362 -0.012 RESID 306 (A): CB 16.400 16.400 18.076 -1.676 RESID 307 (F): N 120.400 120.400 117.601 2.799 RESID 307 (F): C 175.900 175.900 177.515 -1.615 RESID 307 (F): CA 60.250 60.250 61.492 -1.242 RESID 307 (F): CB 40.200 40.200 38.852 1.348 RESID 308 (I): N 120.700 120.700 115.789 4.911 RESID 308 (I): C 177.200 177.200 177.635 -0.435 RESID 308 (I): CA 64.550 64.550 62.727 1.823 RESID 308 (I): CB 36.600 36.600 37.724 -1.123 RESID 309 (G): N 111.300 111.300 108.689 2.611 RESID 309 (G): C 174.000 174.000 173.506 0.494 RESID 309 (G): CA 41.600 41.600 45.376 -3.776 RESID 310 (Q): N 119.400 119.400 116.842 2.558 RESID 310 (Q): C 176.200 176.200 176.797 -0.597 RESID 310 (Q): CA 57.800 57.800 56.732 1.068 RESID 310 (Q): CB 31.900 31.900 30.209 1.692 RESID 311 (N): N 120.100 120.100 118.866 1.234 RESID 311 (N): C 175.600 175.600 176.617 -1.017 RESID 311 (N): CA 55.500 55.500 55.379 0.121 RESID 311 (N): CB 38.800 38.800 38.230 0.570 RESID 312 (F): N 120.700 120.700 118.265 2.435 RESID 312 (F): C 175.400 175.400 177.362 -1.962 RESID 312 (F): CA 58.300 58.300 60.821 -2.521 RESID 312 (F): CB 36.800 36.800 38.758 -1.958 RESID 313 (R): N 123.000 123.000 120.358 2.642 RESID 313 (R): C 174.500 174.500 178.127 -3.627 RESID 313 (R): CA 56.000 56.000 58.777 -2.777 RESID 313 (R): CB 29.300 29.300 29.270 0.030 RESID 314 (H): N 122.100 122.100 115.886 6.214 RESID 314 (H): C 176.300 176.300 177.682 -1.382 RESID 314 (H): CA 58.600 58.600 57.294 1.306 RESID 314 (H): CB 29.900 29.900 29.354 0.546 RESID 315 (G): N 109.700 109.700 109.098 0.602 RESID 315 (G): C 174.100 174.100 175.502 -1.402 RESID 315 (G): CA 47.200 47.200 46.799 0.401 RESID 316 (F): N 123.600 123.600 121.125 2.475 RESID 316 (F): C 176.200 176.200 177.249 -1.049 RESID 316 (F): CA 58.200 58.200 61.232 -3.032 RESID 317 (L): N 122.000 122.000 120.397 1.603 RESID 317 (L): C 176.600 176.600 178.037 -1.437 RESID 317 (L): CA 55.700 55.700 57.838 -2.138 RESID 317 (L): CB 40.200 40.200 42.071 -1.871 RESID 318 (K): N 121.800 121.800 119.894 1.906 RESID 318 (K): C 177.500 177.500 179.007 -1.507 RESID 318 (K): CA 56.200 56.200 59.882 -3.682 RESID 318 (K): CB 30.000 30.000 32.252 -2.252 RESID 319 (I): N 120.600 120.600 117.262 3.338 RESID 319 (I): C 176.000 176.000 177.984 -1.984 RESID 319 (I): CA 65.200 65.200 63.683 1.517 RESID 319 (I): CB 36.400 36.400 37.304 -0.904 RESID 320 (L): N 121.900 121.900 120.011 1.889 RESID 320 (L): C 176.800 176.800 178.818 -2.018 RESID 320 (L): CA 56.200 56.200 57.424 -1.224 RESID 320 (L): CB 40.000 40.000 41.714 -1.714 RESID 321 (A): N 123.000 123.000 121.250 1.750 RESID 321 (A): C 177.100 177.100 178.994 -1.894 RESID 321 (A): CA 55.000 55.000 54.325 0.675 RESID 321 (A): CB 18.000 18.000 18.849 -0.849 RESID 322 (M): N 120.400 120.400 114.460 5.940 RESID 322 (M): C 173.300 173.300 177.608 -4.308 RESID 322 (M): CA 56.100 56.100 55.478 0.622 RESID 323 (H): N 120.700 120.700 116.850 3.850 RESID 323 (H): C 173.200 173.200 175.745 -2.545 RESID 323 (H): CA 57.000 57.000 57.312 -0.312 RESID 323 (H): CB 29.700 29.700 28.692 1.008 N HA C CA CB H RESID 31 (M): 0.495 ----- -2.221 1.495 0.331 ----- RESID 32 (L): 5.424 ----- -4.297 -3.067 -2.636 ----- RESID 33 (E): 12.437 ----- -3.272 -0.768 0.654 ----- RESID 34 (T): -2.313 ----- -2.212 2.559 -2.783 ----- RESID 35 (E): 1.873 ----- -8.582 -2.737 -1.666 ----- RESID 36 (T): -7.442 ----- -1.098 0.862 ----- ----- RESID 37 (L): 1.720 ----- 0.579 1.831 0.137 ----- RESID 38 (N): 0.068 ----- 0.992 -0.179 2.286 ----- RESID 39 (K): 1.476 ----- -3.954 -2.966 -2.555 ----- RESID 40 (Y): 1.061 ----- -0.678 -2.036 2.132 ----- RESID 41 (V): 3.112 ----- -1.198 -1.286 -1.590 ----- RESID 42 (V): -0.201 ----- -2.188 -0.816 -1.796 ----- RESID 43 (I): 1.346 ----- -1.368 0.852 0.452 ----- RESID 44 (I): -0.371 ----- -2.724 -6.221 -0.119 ----- RESID 45 (A): -0.870 ----- -3.752 -2.644 -1.260 ----- RESID 46 (Y): 0.235 ----- -2.353 -2.792 1.663 ----- RESID 47 (A): 2.069 ----- -5.058 -1.708 -2.545 ----- RESID 48 (L): -1.193 ----- -1.783 -0.807 ----- ----- RESID 49 (V): -1.910 ----- 2.838 1.405 -1.516 ----- RESID 50 (F): 4.489 ----- -5.384 1.527 3.428 ----- RESID 51 (L): 3.841 ----- -1.276 -2.688 -1.393 ----- RESID 52 (L): 6.184 ----- -4.945 -2.577 -1.443 ----- RESID 53 (S): 3.402 ----- -3.662 -2.705 ----- ----- RESID 54 (L): -0.261 ----- -1.183 -1.374 -1.429 ----- RESID 55 (L): 8.800 ----- -1.681 -1.455 -0.841 ----- RESID 56 (G): 2.624 ----- -1.041 0.160 ----- ----- RESID 57 (N): -1.169 ----- -0.680 -1.129 1.082 ----- RESID 58 (S): -4.462 ----- 3.454 -1.536 0.486 ----- RESID 59 (L): -0.937 ----- -1.605 -1.793 -0.200 ----- RESID 60 (V): 0.342 ----- -3.137 -1.198 -1.870 ----- RESID 61 (M): -0.144 ----- -2.217 -3.904 ----- ----- RESID 62 (L): 3.103 ----- -1.475 -2.127 -2.107 ----- RESID 63 (V): 1.538 ----- ----- -1.816 -1.813 ----- RESID 64 (I): 1.454 ----- -3.595 -0.112 -0.378 ----- RESID 65 (L): 1.310 ----- -4.452 -1.734 -1.599 ----- RESID 66 (Y): 4.387 ----- 1.162 -0.366 1.612 ----- RESID 67 (S): 0.406 ----- 0.542 1.925 -1.718 ----- RESID 68 (R): -6.696 ----- -1.723 1.345 ----- ----- RESID 69 (V): 3.314 ----- -0.534 3.256 -1.425 ----- RESID 70 (G): 2.050 ----- 0.549 -3.014 ----- ----- RESID 71 (R): 2.204 ----- 1.212 3.304 1.795 ----- RESID 72 (S): 0.446 ----- -1.631 0.857 ----- ----- RESID 73 (V): 4.355 ----- -0.770 1.243 -1.721 ----- RESID 74 (T): 3.761 ----- 0.383 -1.150 ----- ----- RESID 75 (D): -0.217 ----- -1.665 -1.211 0.459 ----- RESID 76 (V): 0.949 ----- -2.347 0.171 -1.251 ----- RESID 77 (Y): 6.012 ----- -2.367 -1.327 -0.448 ----- RESID 78 (L): 1.492 ----- -2.491 -1.851 -0.910 ----- RESID 79 (L): 6.253 ----- -3.043 -2.577 -1.096 ----- RESID 80 (N): 3.209 ----- 0.326 0.506 0.771 ----- RESID 81 (L): 2.553 ----- -1.979 -2.039 -3.539 ----- RESID 82 (A): 2.785 ----- -2.121 -1.851 0.334 ----- RESID 83 (L): 1.407 ----- -2.487 -2.088 -1.834 ----- RESID 84 (A): 2.737 ----- -3.292 -1.118 -1.526 ----- RESID 85 (D): 0.078 ----- -0.404 -0.890 -0.710 ----- RESID 86 (L): 1.747 ----- -5.357 -2.397 -2.354 ----- RESID 87 (L): 2.368 ----- -3.096 -2.124 -1.896 ----- RESID 88 (F): -0.830 ----- -3.643 -5.230 1.532 ----- RESID 89 (A): 5.128 ----- -7.225 -1.758 -1.306 ----- RESID 90 (L): 1.653 ----- -5.539 -1.393 -1.727 ----- RESID 91 (T): 7.448 ----- 0.550 -3.131 0.504 ----- RESID 92 (L): -0.591 ----- 0.127 -4.285 1.152 ----- RESID 94 (I): 5.358 ----- -1.163 1.149 -0.120 ----- RESID 95 (W): -2.324 ----- -0.918 -3.097 -0.162 ----- RESID 96 (A): 5.193 ----- -0.672 -1.495 2.617 ----- RESID 97 (A): 3.334 ----- -1.586 -1.381 -1.269 ----- RESID 98 (S): -2.095 ----- ----- 2.737 ----- ----- RESID 99 (K): 1.597 ----- -1.184 -2.226 -1.899 ----- RESID 100 (V): -0.242 ----- -1.185 -0.064 -1.393 ----- RESID 101 (N): -0.664 ----- -2.093 -2.062 1.030 ----- RESID 102 (G): 4.666 ----- 1.529 1.633 ----- ----- RESID 103 (W): 0.030 ----- -0.203 3.096 0.148 ----- RESID 104 (I): 5.824 ----- 1.347 -0.172 -4.680 ----- RESID 105 (F): -4.846 ----- 3.059 -2.021 -0.235 ----- RESID 106 (G): -2.609 ----- 1.662 -2.895 ----- ----- RESID 107 (T): 0.761 ----- -1.303 -0.922 0.025 ----- RESID 108 (F): 0.667 ----- -3.374 0.121 -1.248 ----- RESID 109 (L): 4.409 ----- -2.616 -2.532 0.625 ----- RESID 110 (C): -1.614 ----- -0.387 -6.714 14.073 ----- RESID 111 (K): 1.213 ----- -0.312 -1.778 -2.390 ----- RESID 112 (V): 7.169 ----- -3.126 3.308 ----- ----- RESID 113 (V): 6.958 ----- -8.215 1.518 ----- ----- RESID 114 (S): 2.299 ----- -1.049 -1.232 -0.686 ----- RESID 115 (L): -3.962 ----- -5.427 -2.049 -0.727 ----- RESID 116 (L): 9.709 ----- -1.060 -2.285 -0.891 ----- RESID 117 (K): 0.731 ----- -5.647 -2.214 -1.900 ----- RESID 118 (E): 0.555 ----- -0.955 -4.011 -1.329 ----- RESID 119 (V): 6.192 ----- -3.569 -0.894 -2.081 ----- RESID 120 (N): 1.286 ----- -2.912 -0.265 0.822 ----- RESID 121 (F): 3.684 ----- -2.650 -1.505 -1.874 ----- RESID 122 (Y): 4.368 ----- -2.044 3.322 0.652 ----- RESID 123 (S): 7.537 ----- -2.817 -4.264 -2.608 ----- RESID 124 (G): -2.620 ----- -4.819 -4.314 ----- ----- RESID 125 (I): -3.068 ----- -3.141 -1.034 -0.953 ----- RESID 126 (L): 2.441 ----- -5.410 -1.052 ----- ----- RESID 127 (L): 6.784 ----- -2.742 -3.116 0.301 ----- RESID 128 (L): 4.933 ----- -2.517 -0.680 0.708 ----- RESID 129 (A): 2.362 ----- -3.500 -2.065 -0.960 ----- RESID 130 (C): 4.565 ----- -0.159 -0.056 2.248 ----- RESID 131 (I): -2.817 ----- -4.742 -0.456 -0.568 ----- RESID 132 (S): 1.422 ----- -1.753 2.045 3.794 ----- RESID 133 (V): 7.614 ----- 0.375 1.161 ----- ----- RESID 134 (D): 5.020 ----- -4.560 0.339 -0.329 ----- RESID 135 (R): 4.164 ----- -4.519 -0.403 0.839 ----- RESID 136 (Y): 1.350 ----- -1.427 -0.114 -0.386 ----- RESID 137 (L): 5.344 ----- -4.499 -1.520 0.547 ----- RESID 138 (A): 5.403 ----- -2.117 -1.144 -2.857 ----- RESID 139 (I): 3.354 ----- 0.119 -0.850 -9.036 ----- RESID 140 (V): -0.262 ----- -0.877 0.817 -1.856 ----- RESID 141 (H): -4.920 ----- 4.050 2.720 0.796 ----- RESID 142 (A): -3.615 ----- -2.119 0.682 -1.917 ----- RESID 143 (T): 1.709 ----- 3.036 -1.371 -4.207 ----- RESID 144 (R): ----- ----- ----- -0.491 -1.403 ----- RESID 145 (T): 14.142 ----- 3.263 0.264 -5.802 ----- RESID 146 (L): 5.407 ----- -2.412 1.433 -0.520 ----- RESID 147 (T): 11.434 ----- 3.295 0.841 -7.606 ----- RESID 148 (Q): 1.341 ----- -0.624 -3.020 -0.693 ----- RESID 149 (K): -1.305 ----- -2.569 0.294 ----- ----- RESID 150 (R): 3.118 ----- -0.515 -2.715 1.834 ----- RESID 151 (H): 0.148 ----- 0.171 -0.856 0.111 ----- RESID 152 (L): 0.485 ----- -1.322 -2.223 -2.064 ----- RESID 153 (V): 3.050 ----- -4.247 -4.237 ----- ----- RESID 154 (K): -4.732 ----- -3.357 -0.087 ----- ----- RESID 155 (F): 0.441 ----- -0.757 0.034 ----- ----- RESID 156 (V): 4.146 ----- -0.009 -5.089 2.240 ----- RESID 157 (C): ----- ----- ----- -5.524 ----- ----- RESID 158 (L): 1.880 ----- -3.091 -2.677 ----- ----- RESID 159 (G): -1.330 ----- -0.088 -2.431 ----- ----- RESID 160 (C): -4.086 ----- 3.950 -4.598 2.455 ----- RESID 161 (W): -2.214 ----- -4.318 -4.075 ----- ----- RESID 162 (G): 2.100 ----- -2.128 -2.256 ----- ----- RESID 163 (L): -2.082 ----- -5.150 -0.867 -2.040 ----- RESID 164 (S): 1.460 ----- -1.917 -5.803 2.989 ----- RESID 165 (M): -0.555 ----- -3.031 -0.814 -1.944 ----- RESID 166 (N): 2.146 ----- -0.861 0.210 0.611 ----- RESID 167 (L): 0.705 ----- 0.057 7.123 -6.008 ----- RESID 168 (S): 6.327 ----- -2.681 -4.289 -6.518 ----- RESID 169 (L): -1.291 ----- 1.688 -3.747 -0.399 ----- RESID 171 (F): 1.935 ----- -2.378 1.536 ----- ----- RESID 172 (F): 0.300 ----- -2.699 -0.887 3.445 ----- RESID 173 (L): 2.505 ----- -1.007 -2.744 -5.318 ----- RESID 174 (F): 7.316 ----- 2.261 1.825 1.069 ----- RESID 175 (R): -2.869 ----- 2.921 0.411 ----- ----- RESID 176 (Q): 3.315 ----- 3.780 -1.567 ----- ----- RESID 177 (A): 3.949 ----- 1.232 2.439 -3.528 ----- RESID 178 (Y): 0.916 ----- -0.813 -0.885 0.630 ----- RESID 179 (H): 1.959 ----- 3.293 6.203 2.126 ----- RESID 181 (N): 3.529 ----- -1.721 4.030 -4.487 ----- RESID 182 (N): -6.778 ----- 2.517 0.145 ----- ----- RESID 183 (S): 2.535 ----- 2.950 -2.049 0.595 ----- RESID 184 (S): 1.450 ----- 2.805 -1.160 -2.057 ----- RESID 186 (V): 3.255 ----- 0.511 4.386 -2.560 ----- RESID 187 (C): -9.418 ----- 2.325 -3.229 11.425 ----- RESID 188 (Y): -2.084 ----- 2.820 0.174 -0.260 ----- RESID 189 (E): 2.022 ----- -0.180 1.184 1.875 ----- RESID 190 (V): 7.552 ----- -4.164 3.124 -2.870 ----- RESID 191 (L): 4.320 ----- ----- -1.727 ----- ----- RESID 192 (G): 5.803 ----- 0.211 0.394 ----- ----- RESID 193 (N): -0.352 ----- ----- -2.651 0.732 ----- RESID 194 (D): 6.986 ----- -3.664 -0.791 -0.235 ----- RESID 195 (T): 7.557 ----- -0.406 -1.978 ----- ----- RESID 196 (A): -0.885 ----- -4.697 -0.789 -1.556 ----- RESID 197 (K): 6.894 ----- -0.162 2.331 -3.556 ----- RESID 198 (W): 2.643 ----- 1.122 2.412 4.179 ----- RESID 199 (R): 3.345 ----- 0.420 -2.814 1.391 ----- RESID 200 (M): 0.490 ----- -2.507 -0.477 -1.177 ----- RESID 201 (V): 6.152 ----- -2.742 0.957 -1.433 ----- RESID 202 (L): 2.987 ----- -5.300 -3.864 ----- ----- RESID 203 (R): 5.868 ----- -2.041 -3.009 1.734 ----- RESID 204 (I): 2.077 ----- -1.222 1.368 -1.758 ----- RESID 205 (L): 1.878 ----- -0.298 -5.787 ----- ----- RESID 206 (P): ----- ----- ----- -3.325 ----- ----- RESID 207 (H): -4.728 ----- -2.168 -6.959 -0.098 ----- RESID 208 (T): 5.817 ----- 1.823 -3.612 ----- ----- RESID 209 (F): -1.962 ----- -0.134 1.321 ----- ----- RESID 210 (G): 5.548 ----- -0.488 -0.944 ----- ----- RESID 211 (F): 3.776 ----- -1.793 -2.818 ----- ----- RESID 212 (I): -1.657 ----- -2.008 0.037 -0.520 ----- RESID 213 (V): 4.233 ----- 0.316 -3.069 1.121 ----- RESID 215 (L): 4.924 ----- -1.372 -2.775 -1.842 ----- RESID 216 (F): 5.141 ----- 1.184 -1.815 -1.699 ----- RESID 217 (V): -1.514 ----- -2.432 -1.525 -1.856 ----- RESID 218 (M): -0.914 ----- -4.352 -3.906 -0.253 ----- RESID 219 (L): 1.477 ----- -1.844 -1.812 0.600 ----- RESID 220 (F): 5.893 ----- -1.877 0.287 ----- ----- RESID 221 (C): -0.622 ----- -0.798 -0.372 ----- ----- RESID 222 (Y): -0.326 ----- 0.495 -3.469 -0.321 ----- RESID 223 (G): 4.060 ----- -1.769 -5.396 ----- ----- RESID 224 (F): -0.013 ----- -2.209 4.034 -1.146 ----- RESID 225 (T): 1.106 ----- -1.690 -1.184 ----- ----- RESID 226 (L): 1.507 ----- -0.916 -0.084 -1.151 ----- RESID 227 (R): 3.957 ----- -0.648 -4.252 -1.814 ----- RESID 228 (T): 7.547 ----- 1.749 1.320 -4.199 ----- RESID 229 (L): 0.789 ----- 1.375 2.294 -0.629 ----- RESID 230 (F): -3.271 ----- 0.391 -2.442 2.524 ----- RESID 231 (K): 1.431 ----- -0.749 -0.270 -1.392 ----- RESID 232 (A): -0.813 ----- 0.483 0.861 3.808 ----- RESID 233 (H): 6.173 ----- 2.755 1.675 -0.667 ----- RESID 234 (M): -1.596 ----- 0.175 3.097 -0.982 ----- RESID 235 (G): -2.578 ----- -1.367 -2.969 ----- ----- RESID 236 (Q): -3.322 ----- -3.000 -1.248 -2.456 ----- RESID 237 (K): 3.456 ----- 1.318 -2.965 -1.246 ----- RESID 238 (H): 10.689 ----- 0.025 -2.437 -1.961 ----- RESID 239 (R): -0.355 ----- -1.177 -3.862 1.218 ----- RESID 240 (A): -0.155 ----- -3.726 -2.203 -1.104 ----- RESID 241 (M): 2.607 ----- -2.899 -0.786 -0.847 ----- RESID 242 (R): 1.562 ----- -1.263 -2.643 1.772 ----- RESID 243 (V): -1.843 ----- -2.549 -1.476 -1.883 ----- RESID 244 (I): 0.097 ----- -2.369 -0.644 -0.445 ----- RESID 245 (F): -2.722 ----- -1.509 -1.270 1.496 ----- RESID 246 (A): -0.221 ----- -1.309 -1.733 -1.133 ----- RESID 247 (V): 5.400 ----- -2.464 0.262 -1.765 ----- RESID 248 (V): 1.680 ----- -1.232 -1.411 -0.355 ----- RESID 249 (L): -1.491 ----- -2.710 -1.720 -0.417 ----- RESID 250 (I): 1.527 ----- -1.373 -1.196 -0.209 ----- RESID 251 (F): 6.597 ----- -1.284 -2.047 ----- ----- RESID 252 (L): -0.563 ----- -2.350 -1.132 -0.504 ----- RESID 253 (L): -0.479 ----- -1.309 -2.267 -1.986 ----- RESID 254 (C): 2.737 ----- 0.116 -1.568 -0.193 ----- RESID 255 (W): -1.795 ----- 1.488 -2.604 -0.043 ----- RESID 256 (L): 1.016 ----- 1.847 -4.807 0.006 ----- RESID 258 (Y): 5.491 ----- 1.695 -2.619 4.629 ----- RESID 259 (N): 5.012 ----- -4.201 -1.765 0.038 ----- RESID 260 (L): -0.037 ----- -2.901 -2.031 -2.860 ----- RESID 261 (V): -0.171 ----- -2.472 -1.238 -2.280 ----- RESID 262 (L): 0.971 ----- -1.898 -2.400 -1.402 ----- RESID 263 (L): 4.783 ----- -2.740 -2.518 -0.759 ----- RESID 264 (A): 1.022 ----- -4.746 -2.051 -1.974 ----- RESID 265 (D): 7.443 ----- -7.648 -0.829 ----- ----- RESID 266 (T): 4.245 ----- -0.829 -5.285 ----- ----- RESID 267 (L): 1.864 ----- -1.280 0.210 -1.593 ----- RESID 268 (M): 3.445 ----- 1.073 3.099 0.211 ----- RESID 269 (R): -2.756 ----- -2.153 -1.052 1.210 ----- RESID 270 (T): 9.544 ----- 1.881 -0.616 ----- ----- RESID 271 (Q): 2.417 ----- 0.260 2.604 ----- ----- RESID 272 (V): 2.106 ----- -0.125 -0.616 3.667 ----- RESID 273 (I): 0.075 ----- 3.496 2.040 -3.057 ----- RESID 274 (Q): 2.154 ----- 0.990 -0.310 ----- ----- RESID 275 (E): 8.979 ----- 1.525 0.001 -2.307 ----- RESID 276 (S): -2.094 ----- ----- -0.436 -0.083 ----- RESID 277 (C): -4.709 ----- -1.956 -8.257 -1.116 ----- RESID 278 (E): 1.044 ----- -3.895 -1.531 -0.453 ----- RESID 279 (R): 3.676 ----- -2.324 -2.351 -0.605 ----- RESID 280 (R): 6.835 ----- -0.967 -2.495 -1.797 ----- RESID 281 (N): 3.541 ----- -2.900 -3.444 -1.301 ----- RESID 282 (N): 2.206 ----- -1.218 -0.199 0.503 ----- RESID 283 (I): 1.765 ----- -1.821 2.599 -0.793 ----- RESID 284 (G): 4.151 ----- 1.301 -4.298 ----- ----- RESID 286 (A): 0.936 ----- -0.897 -0.718 -1.621 ----- RESID 287 (L): 6.996 ----- -1.962 -1.554 -1.169 ----- RESID 288 (D): -1.093 ----- -0.985 -0.082 ----- ----- RESID 289 (A): 2.351 ----- -2.090 -1.838 -1.036 ----- RESID 290 (T): 2.624 ----- 0.495 -0.924 ----- ----- RESID 291 (E): -1.735 ----- -1.696 -1.795 0.508 ----- RESID 292 (I): 1.850 ----- -2.448 -0.775 -0.785 ----- RESID 293 (L): 2.905 ----- -3.846 -1.665 -1.657 ----- RESID 294 (G): 1.436 ----- -2.546 -1.892 ----- ----- RESID 295 (F): -1.559 ----- 0.790 -0.438 ----- ----- RESID 296 (L): 1.110 ----- -2.463 -0.577 -0.097 ----- RESID 297 (H): 4.046 ----- 0.823 -0.323 0.762 ----- RESID 298 (S): 11.640 ----- 3.695 4.275 0.731 ----- RESID 299 (C): 1.614 ----- 1.757 0.557 -2.036 ----- RESID 300 (L): -1.683 ----- 0.830 -2.866 -0.728 ----- RESID 301 (N): -0.222 ----- 2.119 -4.246 0.136 ----- RESID 302 (P): ----- ----- ----- -6.986 ----- ----- RESID 303 (I): 1.642 ----- -4.578 1.055 -1.198 ----- RESID 304 (I): 0.074 ----- -1.666 1.608 -1.170 ----- RESID 305 (Y): 0.380 ----- -2.367 -5.740 -0.151 ----- RESID 306 (A): 2.236 ----- -7.091 -0.012 -1.676 ----- RESID 307 (F): 2.799 ----- -1.615 -1.242 1.348 ----- RESID 308 (I): 4.911 ----- -0.435 1.823 -1.123 ----- RESID 309 (G): 2.611 ----- 0.494 -3.776 ----- ----- RESID 310 (Q): 2.558 ----- -0.597 1.068 1.692 ----- RESID 311 (N): 1.234 ----- -1.017 0.121 0.570 ----- RESID 312 (F): 2.435 ----- -1.962 -2.521 -1.958 ----- RESID 313 (R): 2.642 ----- -3.627 -2.777 0.030 ----- RESID 314 (H): 6.214 ----- -1.382 1.306 0.546 ----- RESID 315 (G): 0.602 ----- -1.402 0.401 ----- ----- RESID 316 (F): 2.475 ----- -1.049 -3.032 ----- ----- RESID 317 (L): 1.603 ----- -1.437 -2.138 -1.871 ----- RESID 318 (K): 1.906 ----- -1.507 -3.682 -2.252 ----- RESID 319 (I): 3.338 ----- -1.984 1.517 -0.904 ----- RESID 320 (L): 1.889 ----- -2.018 -1.224 -1.714 ----- RESID 321 (A): 1.750 ----- -1.894 0.675 -0.849 ----- RESID 322 (M): 5.940 ----- -4.308 0.622 ----- ----- RESID 323 (H): 3.850 ----- -2.545 -0.312 1.008 ----- DATA CS_STAT_INFO N RMS: 3.934 ppm Count: 283 Average Difference: -1.956 +/- 3.419 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 2.630 ppm Count: 278 Average Difference: 1.354 +/- 2.258 ppm DATA CS_STAT_INFO CA RMS: 2.509 ppm Count: 287 Average Difference: 1.093 +/- 2.263 ppm DATA CS_STAT_INFO CB RMS: 2.496 ppm Count: 226 Average Difference: 0.525 +/- 2.445 ppm DATA CS_STAT_INFO HN RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm ############################################################################ For conformer 2: Atom Original Corrected SPARTA Difference RESID 30 (C): N 122.700 122.700 121.465 1.235 RESID 30 (C): C 177.500 177.500 176.488 1.012 RESID 30 (C): CA 56.000 56.000 58.607 -2.607 RESID 30 (C): CB 40.300 40.300 26.047 14.253 RESID 31 (M): N 117.900 117.900 119.251 -1.351 RESID 31 (M): C 173.200 173.200 176.688 -3.488 RESID 31 (M): CA 58.150 58.150 56.715 1.435 RESID 31 (M): CB 31.100 31.100 31.789 -0.689 RESID 32 (L): N 125.300 125.300 118.189 7.111 RESID 32 (L): C 173.500 173.500 178.064 -4.564 RESID 32 (L): CA 53.780 53.780 55.909 -2.129 RESID 32 (L): CB 39.660 39.660 41.879 -2.219 RESID 33 (E): N 129.900 129.900 117.894 12.006 RESID 33 (E): C 173.200 173.200 176.366 -3.166 RESID 33 (E): CA 55.900 55.900 56.554 -0.654 RESID 33 (E): CB 31.000 31.000 30.343 0.657 RESID 34 (T): N 113.900 113.900 113.001 0.899 RESID 34 (T): C 172.500 172.500 175.579 -3.079 RESID 34 (T): CA 63.500 63.500 61.212 2.288 RESID 34 (T): CB 67.200 67.200 70.799 -3.599 RESID 35 (E): N 125.300 125.300 122.705 2.595 RESID 35 (E): C 169.500 169.500 177.416 -7.916 RESID 35 (E): CA 55.840 55.840 58.707 -2.867 RESID 35 (E): CB 28.120 28.120 28.400 -0.280 RESID 36 (T): N 106.700 106.700 114.187 -7.487 RESID 36 (T): C 174.200 174.200 174.983 -0.783 RESID 36 (T): CA 65.000 65.000 63.674 1.326 RESID 37 (L): N 120.100 120.100 121.687 -1.587 RESID 37 (L): C 177.500 177.500 176.958 0.542 RESID 37 (L): CA 56.400 56.400 55.458 0.942 RESID 37 (L): CB 39.800 39.800 40.083 -0.283 RESID 38 (N): N 118.400 118.400 118.637 -0.237 RESID 38 (N): C 177.600 177.600 176.668 0.932 RESID 38 (N): CA 55.900 55.900 56.249 -0.349 RESID 38 (N): CB 40.870 40.870 38.353 2.517 RESID 39 (K): N 121.500 121.500 120.752 0.748 RESID 39 (K): C 174.300 174.300 178.646 -4.346 RESID 39 (K): CA 56.700 56.700 59.872 -3.172 RESID 39 (K): CB 29.900 29.900 32.201 -2.301 RESID 40 (Y): N 120.100 120.100 118.984 1.116 RESID 40 (Y): C 176.800 176.800 177.891 -1.091 RESID 40 (Y): CA 58.200 58.200 60.275 -2.075 RESID 40 (Y): CB 40.000 40.000 37.969 2.031 RESID 41 (V): N 120.700 120.700 119.399 1.301 RESID 41 (V): C 176.000 176.000 177.886 -1.886 RESID 41 (V): CA 65.000 65.000 66.592 -1.592 RESID 41 (V): CB 29.750 29.750 31.004 -1.254 RESID 42 (V): N 121.200 121.200 120.258 0.942 RESID 42 (V): C 176.200 176.200 178.376 -2.176 RESID 42 (V): CA 65.560 65.560 66.770 -1.210 RESID 42 (V): CB 29.700 29.700 31.562 -1.862 RESID 43 (I): N 120.900 120.900 119.520 1.380 RESID 43 (I): C 177.000 177.000 178.165 -1.165 RESID 43 (I): CA 64.300 64.300 63.544 0.756 RESID 43 (I): CB 36.600 36.600 36.198 0.402 RESID 44 (I): N 120.500 120.500 120.634 -0.134 RESID 44 (I): C 175.000 175.000 177.833 -2.833 RESID 44 (I): CA 59.700 59.700 65.826 -6.126 RESID 44 (I): CB 37.000 37.000 36.891 0.110 RESID 45 (A): N 121.600 121.600 122.575 -0.975 RESID 45 (A): C 175.700 175.700 179.560 -3.860 RESID 45 (A): CA 52.700 52.700 55.239 -2.539 RESID 45 (A): CB 16.600 16.600 17.826 -1.226 RESID 46 (Y): N 120.400 120.400 119.228 1.172 RESID 46 (Y): C 175.400 175.400 177.918 -2.518 RESID 46 (Y): CA 58.530 58.530 61.571 -3.041 RESID 46 (Y): CB 39.850 39.850 38.011 1.839 RESID 47 (A): N 124.700 124.700 122.488 2.212 RESID 47 (A): C 174.800 174.800 179.374 -4.574 RESID 47 (A): CA 53.800 53.800 55.458 -1.658 RESID 47 (A): CB 15.530 15.530 18.075 -2.545 RESID 48 (L): N 117.700 117.700 118.880 -1.180 RESID 48 (L): C 177.400 177.400 179.043 -1.643 RESID 48 (L): CA 56.860 56.860 57.686 -0.826 RESID 49 (V): N 118.400 118.400 120.430 -2.030 RESID 49 (V): C 181.100 181.100 178.184 2.916 RESID 49 (V): CA 67.800 67.800 66.369 1.431 RESID 49 (V): CB 29.900 29.900 31.262 -1.362 RESID 50 (F): N 124.700 124.700 117.265 7.435 RESID 50 (F): C 171.900 171.900 178.316 -6.416 RESID 50 (F): CA 61.600 61.600 60.907 0.693 RESID 50 (F): CB 42.620 42.620 38.146 4.474 RESID 51 (L): N 125.600 125.600 122.323 3.277 RESID 51 (L): C 176.600 176.600 177.722 -1.122 RESID 51 (L): CA 55.850 55.850 58.522 -2.672 RESID 51 (L): CB 40.220 40.220 41.624 -1.405 RESID 52 (L): N 122.800 122.800 118.114 4.686 RESID 52 (L): C 173.700 173.700 178.551 -4.851 RESID 52 (L): CA 56.300 56.300 58.344 -2.044 RESID 52 (L): CB 39.200 39.200 41.606 -2.406 RESID 53 (S): N 118.700 118.700 114.561 4.139 RESID 53 (S): C 173.000 173.000 176.632 -3.632 RESID 53 (S): CA 58.200 58.200 61.107 -2.907 RESID 54 (L): N 123.500 123.500 124.030 -0.530 RESID 54 (L): C 176.800 176.800 178.388 -1.588 RESID 54 (L): CA 56.400 56.400 58.378 -1.978 RESID 54 (L): CB 40.000 40.000 41.983 -1.983 RESID 55 (L): N 124.600 124.600 116.096 8.504 RESID 55 (L): C 177.200 177.200 178.875 -1.675 RESID 55 (L): CA 56.000 56.000 57.542 -1.542 RESID 55 (L): CB 40.000 40.000 40.860 -0.860 RESID 56 (G): N 109.600 109.600 107.497 2.103 RESID 56 (G): C 174.800 174.800 175.970 -1.170 RESID 56 (G): CA 47.400 47.400 46.923 0.477 RESID 57 (N): N 118.200 118.200 119.428 -1.228 RESID 57 (N): C 176.900 176.900 177.526 -0.626 RESID 57 (N): CA 55.700 55.700 56.528 -0.828 RESID 57 (N): CB 39.300 39.300 38.691 0.609 RESID 58 (S): N 111.300 111.300 115.634 -4.334 RESID 58 (S): C 180.100 180.100 176.226 3.874 RESID 58 (S): CA 59.900 59.900 61.739 -1.839 RESID 58 (S): CB 63.300 63.300 62.663 0.637 RESID 59 (L): N 121.100 121.100 122.652 -1.552 RESID 59 (L): C 177.400 177.400 178.667 -1.267 RESID 59 (L): CA 56.150 56.150 57.962 -1.812 RESID 59 (L): CB 41.000 41.000 41.355 -0.355 RESID 60 (V): N 119.300 119.300 118.673 0.627 RESID 60 (V): C 175.200 175.200 178.587 -3.387 RESID 60 (V): CA 65.400 65.400 65.662 -0.262 RESID 60 (V): CB 29.500 29.500 30.804 -1.304 RESID 61 (M): N 118.900 118.900 119.040 -0.140 RESID 61 (M): C 176.500 176.500 178.792 -2.292 RESID 61 (M): CA 55.840 55.840 58.740 -2.900 RESID 62 (L): N 122.100 122.100 118.996 3.104 RESID 62 (L): C 177.700 177.700 179.151 -1.451 RESID 62 (L): CA 56.160 56.160 57.691 -1.531 RESID 62 (L): CB 39.110 39.110 41.535 -2.425 RESID 63 (V): N 121.100 121.100 119.662 1.438 RESID 63 (V): CA 64.850 64.850 66.528 -1.677 RESID 63 (V): CB 29.600 29.600 32.120 -2.520 RESID 64 (I): N 121.000 121.000 117.975 3.025 RESID 64 (I): C 175.100 175.100 179.229 -4.129 RESID 64 (I): CA 64.400 64.400 63.485 0.915 RESID 64 (I): CB 36.600 36.600 36.385 0.215 RESID 65 (L): N 119.000 119.000 121.159 -2.159 RESID 65 (L): C 173.800 173.800 178.053 -4.253 RESID 65 (L): CA 56.200 56.200 58.144 -1.944 RESID 65 (L): CB 39.300 39.300 42.152 -2.852 RESID 66 (Y): N 120.200 120.200 115.640 4.560 RESID 66 (Y): C 176.700 176.700 174.727 1.973 RESID 66 (Y): CA 58.340 58.340 58.568 -0.228 RESID 66 (Y): CB 40.000 40.000 38.571 1.429 RESID 67 (S): N 116.700 116.700 115.771 0.929 RESID 67 (S): C 175.400 175.400 175.389 0.011 RESID 67 (S): CA 60.000 60.000 57.755 2.245 RESID 67 (S): CB 62.000 62.000 63.975 -1.975 RESID 68 (R): N 121.500 121.500 127.048 -5.548 RESID 68 (R): C 175.300 175.300 177.194 -1.894 RESID 68 (R): CA 60.400 60.400 58.758 1.642 RESID 69 (V): N 120.600 120.600 117.539 3.061 RESID 69 (V): C 174.600 174.600 175.614 -1.014 RESID 69 (V): CA 65.800 65.800 62.424 3.376 RESID 69 (V): CB 29.850 29.850 31.461 -1.611 RESID 70 (G): N 110.700 110.700 106.965 3.735 RESID 70 (G): C 174.400 174.400 174.556 -0.156 RESID 70 (G): CA 41.700 41.700 44.479 -2.779 RESID 71 (R): N 122.900 122.900 121.191 1.709 RESID 71 (R): C 176.500 176.500 175.452 1.048 RESID 71 (R): CA 56.800 56.800 54.773 2.027 RESID 71 (R): CB 29.900 29.900 29.002 0.898 RESID 72 (S): N 117.300 117.300 116.195 1.105 RESID 72 (S): C 174.300 174.300 176.164 -1.864 RESID 72 (S): CA 57.800 57.800 56.621 1.179 RESID 73 (V): N 120.400 120.400 117.205 3.195 RESID 73 (V): C 175.700 175.700 176.148 -0.448 RESID 73 (V): CA 66.100 66.100 65.169 0.931 RESID 73 (V): CB 29.650 29.650 31.436 -1.786 RESID 74 (T): N 117.300 117.300 114.209 3.091 RESID 74 (T): C 175.800 175.800 175.277 0.523 RESID 74 (T): CA 64.000 64.000 64.237 -0.237 RESID 75 (D): N 122.900 122.900 122.970 -0.070 RESID 75 (D): C 176.500 176.500 178.128 -1.628 RESID 75 (D): CA 56.000 56.000 57.147 -1.147 RESID 75 (D): CB 40.300 40.300 40.045 0.255 RESID 76 (V): N 120.800 120.800 119.241 1.559 RESID 76 (V): C 175.600 175.600 177.853 -2.253 RESID 76 (V): CA 66.400 66.400 65.808 0.592 RESID 76 (V): CB 30.400 30.400 31.192 -0.792 RESID 77 (Y): N 123.800 123.800 119.630 4.170 RESID 77 (Y): C 175.700 175.700 178.127 -2.427 RESID 77 (Y): CA 60.560 60.560 62.413 -1.853 RESID 77 (Y): CB 37.000 37.000 38.523 -1.523 RESID 78 (L): N 121.000 121.000 119.918 1.082 RESID 78 (L): C 176.500 176.500 179.123 -2.623 RESID 78 (L): CA 55.900 55.900 57.812 -1.911 RESID 78 (L): CB 40.000 40.000 40.846 -0.846 RESID 79 (L): N 126.200 126.200 119.790 6.410 RESID 79 (L): C 176.000 176.000 178.990 -2.990 RESID 79 (L): CA 55.800 55.800 58.221 -2.421 RESID 79 (L): CB 40.240 40.240 41.738 -1.498 RESID 80 (N): N 121.300 121.300 117.853 3.447 RESID 80 (N): C 178.100 178.100 177.626 0.474 RESID 80 (N): CA 56.500 56.500 55.916 0.584 RESID 80 (N): CB 39.100 39.100 38.445 0.655 RESID 81 (L): N 124.100 124.100 121.238 2.862 RESID 81 (L): C 176.300 176.300 177.921 -1.621 RESID 81 (L): CA 56.000 56.000 57.625 -1.625 RESID 81 (L): CB 38.100 38.100 41.469 -3.369 RESID 82 (A): N 124.700 124.700 121.478 3.222 RESID 82 (A): C 177.500 177.500 179.680 -2.180 RESID 82 (A): CA 53.400 53.400 55.322 -1.922 RESID 82 (A): CB 18.300 18.300 18.303 -0.003 RESID 83 (L): N 121.400 121.400 118.498 2.902 RESID 83 (L): C 176.500 176.500 179.233 -2.733 RESID 83 (L): CA 55.900 55.900 57.660 -1.760 RESID 83 (L): CB 40.200 40.200 41.107 -0.907 RESID 84 (A): N 123.900 123.900 121.635 2.265 RESID 84 (A): C 176.600 176.600 179.323 -2.723 RESID 84 (A): CA 54.400 54.400 55.018 -0.618 RESID 84 (A): CB 16.600 16.600 18.068 -1.468 RESID 85 (D): N 120.300 120.300 119.547 0.753 RESID 85 (D): C 178.400 178.400 178.533 -0.133 RESID 85 (D): CA 56.330 56.330 57.240 -0.910 RESID 85 (D): CB 39.850 39.850 41.102 -1.252 RESID 86 (L): N 122.700 122.700 121.124 1.576 RESID 86 (L): C 173.600 173.600 178.896 -5.296 RESID 86 (L): CA 56.300 56.300 58.628 -2.328 RESID 86 (L): CB 39.500 39.500 41.947 -2.447 RESID 87 (L): N 122.000 122.000 119.824 2.176 RESID 87 (L): C 175.600 175.600 179.197 -3.597 RESID 87 (L): CA 56.150 56.150 58.669 -2.519 RESID 87 (L): CB 40.000 40.000 41.539 -1.539 RESID 88 (F): N 119.200 119.200 118.668 0.532 RESID 88 (F): C 173.900 173.900 178.695 -4.795 RESID 88 (F): CA 55.900 55.900 61.004 -5.104 RESID 88 (F): CB 40.400 40.400 38.091 2.309 RESID 89 (A): N 126.600 126.600 122.833 3.767 RESID 89 (A): C 172.900 172.900 179.846 -6.946 RESID 89 (A): CA 53.100 53.100 54.991 -1.891 RESID 89 (A): CB 17.000 17.000 18.349 -1.349 RESID 90 (L): N 119.700 119.700 118.338 1.362 RESID 90 (L): C 172.500 172.500 178.208 -5.708 RESID 90 (L): CA 56.500 56.500 58.107 -1.607 RESID 90 (L): CB 39.900 39.900 42.097 -2.197 RESID 91 (T): N 115.300 115.300 110.509 4.791 RESID 91 (T): C 176.400 176.400 176.288 0.112 RESID 91 (T): CA 60.000 60.000 63.915 -3.915 RESID 91 (T): CB 69.500 69.500 69.100 0.400 RESID 92 (L): N 123.000 123.000 124.174 -1.174 RESID 92 (L): C 175.400 175.400 175.315 0.085 RESID 92 (L): CA 55.600 55.600 59.971 -4.371 RESID 92 (L): CB 40.800 40.800 39.561 1.239 RESID 94 (I): N 121.000 121.000 116.758 4.242 RESID 94 (I): C 176.800 176.800 178.124 -1.324 RESID 94 (I): CA 64.300 64.300 64.291 0.009 RESID 94 (I): CB 36.600 36.600 37.539 -0.939 RESID 95 (W): N 120.500 120.500 122.829 -2.329 RESID 95 (W): C 176.700 176.700 178.763 -2.063 RESID 95 (W): CA 58.100 58.100 61.169 -3.068 RESID 95 (W): CB 29.000 29.000 29.502 -0.502 RESID 96 (A): N 126.300 126.300 121.970 4.330 RESID 96 (A): C 178.300 178.300 178.420 -0.120 RESID 96 (A): CA 52.400 52.400 54.499 -2.099 RESID 96 (A): CB 20.400 20.400 17.854 2.546 RESID 97 (A): N 123.200 123.200 120.068 3.132 RESID 97 (A): C 178.000 178.000 179.184 -1.184 RESID 97 (A): CA 53.600 53.600 54.440 -0.840 RESID 97 (A): CB 16.700 16.700 18.064 -1.364 RESID 98 (S): N 109.400 109.400 112.273 -2.873 RESID 98 (S): CA 63.000 63.000 61.165 1.835 RESID 99 (K): N 121.500 121.500 120.542 0.958 RESID 99 (K): C 177.300 177.300 178.299 -0.999 RESID 99 (K): CA 56.100 56.100 57.717 -1.617 RESID 99 (K): CB 30.700 30.700 32.884 -2.184 RESID 100 (V): N 121.200 121.200 120.328 0.872 RESID 100 (V): C 176.300 176.300 177.190 -0.890 RESID 100 (V): CA 64.900 64.900 65.347 -0.447 RESID 100 (V): CB 29.850 29.850 31.676 -1.826 RESID 101 (N): N 116.700 116.700 117.355 -0.655 RESID 101 (N): C 173.800 173.800 176.037 -2.237 RESID 101 (N): CA 52.300 52.300 53.740 -1.440 RESID 101 (N): CB 39.700 39.700 37.624 2.076 RESID 102 (G): N 109.500 109.500 106.515 2.985 RESID 102 (G): C 174.600 174.600 173.181 1.419 RESID 102 (G): CA 45.900 45.900 44.806 1.094 RESID 103 (W): N 117.700 117.700 117.983 -0.283 RESID 103 (W): C 173.900 173.900 173.804 0.096 RESID 103 (W): CA 58.000 58.000 55.022 2.978 RESID 103 (W): CB 31.000 31.000 30.693 0.307 RESID 104 (I): N 124.300 124.300 116.064 8.236 RESID 104 (I): C 175.700 175.700 174.026 1.674 RESID 104 (I): CA 60.400 60.400 59.903 0.497 RESID 104 (I): CB 35.600 35.600 40.909 -5.309 RESID 105 (F): N 121.100 121.100 119.062 2.038 RESID 105 (F): C 177.200 177.200 174.471 2.729 RESID 105 (F): CA 55.700 55.700 57.831 -2.131 RESID 105 (F): CB 40.500 40.500 40.934 -0.434 RESID 106 (G): N 110.000 110.000 111.105 -1.105 RESID 106 (G): C 174.500 174.500 172.900 1.600 RESID 106 (G): CA 41.900 41.900 44.963 -3.063 RESID 107 (T): N 114.700 114.700 113.791 0.909 RESID 107 (T): C 173.500 173.500 174.748 -1.248 RESID 107 (T): CA 60.500 60.500 61.266 -0.766 RESID 107 (T): CB 69.700 69.700 69.074 0.626 RESID 108 (F): N 124.200 124.200 122.455 1.745 RESID 108 (F): C 173.500 173.500 176.552 -3.052 RESID 108 (F): CA 60.000 60.000 59.615 0.385 RESID 108 (F): CB 37.030 37.030 38.677 -1.647 RESID 109 (L): N 123.200 123.200 118.858 4.342 RESID 109 (L): C 176.000 176.000 178.225 -2.225 RESID 109 (L): CA 55.500 55.500 58.300 -2.800 RESID 109 (L): CB 40.900 40.900 41.042 -0.142 RESID 110 (C): N 117.600 117.600 117.359 0.241 RESID 110 (C): C 176.700 176.700 177.041 -0.341 RESID 110 (C): CA 55.700 55.700 62.102 -6.402 RESID 110 (C): CB 39.400 39.400 25.555 13.845 RESID 111 (K): N 121.600 121.600 120.818 0.782 RESID 111 (K): C 176.400 176.400 176.643 -0.243 RESID 111 (K): CA 57.300 57.300 58.478 -1.178 RESID 111 (K): CB 30.000 30.000 32.010 -2.010 RESID 112 (V): N 123.600 123.600 115.724 7.876 RESID 112 (V): C 174.100 174.100 177.119 -3.019 RESID 112 (V): CA 68.000 68.000 64.370 3.630 RESID 113 (V): N 127.800 127.800 120.842 6.958 RESID 113 (V): C 169.600 169.600 177.640 -8.040 RESID 113 (V): CA 68.800 68.800 67.426 1.374 RESID 114 (S): N 117.500 117.500 114.033 3.467 RESID 114 (S): C 175.200 175.200 176.119 -0.919 RESID 114 (S): CA 60.200 60.200 61.009 -0.809 RESID 114 (S): CB 61.890 61.890 62.341 -0.451 RESID 115 (L): N 120.000 120.000 123.614 -3.614 RESID 115 (L): C 173.700 173.700 177.855 -4.155 RESID 115 (L): CA 55.900 55.900 58.108 -2.208 RESID 115 (L): CB 40.600 40.600 41.338 -0.738 RESID 116 (L): N 126.000 126.000 118.347 7.653 RESID 116 (L): C 177.800 177.800 179.036 -1.236 RESID 116 (L): CA 55.900 55.900 57.793 -1.893 RESID 116 (L): CB 40.250 40.250 41.151 -0.901 RESID 117 (K): N 120.900 120.900 119.230 1.670 RESID 117 (K): C 173.200 173.200 178.621 -5.421 RESID 117 (K): CA 57.000 57.000 59.515 -2.515 RESID 117 (K): CB 29.800 29.800 31.396 -1.597 RESID 118 (E): N 118.900 118.900 118.921 -0.021 RESID 118 (E): C 177.100 177.100 178.823 -1.723 RESID 118 (E): CA 55.300 55.300 59.378 -4.078 RESID 118 (E): CB 28.000 28.000 29.253 -1.253 RESID 119 (V): N 123.400 123.400 116.798 6.602 RESID 119 (V): C 173.600 173.600 177.318 -3.718 RESID 119 (V): CA 65.330 65.330 66.461 -1.131 RESID 119 (V): CB 29.250 29.250 31.550 -2.300 RESID 120 (N): N 120.300 120.300 118.837 1.463 RESID 120 (N): C 174.500 174.500 177.902 -3.402 RESID 120 (N): CA 55.800 55.800 56.254 -0.454 RESID 120 (N): CB 38.900 38.900 38.368 0.532 RESID 121 (F): N 123.600 123.600 119.546 4.054 RESID 121 (F): C 175.500 175.500 178.571 -3.071 RESID 121 (F): CA 60.500 60.500 59.787 0.713 RESID 121 (F): CB 37.000 37.000 38.492 -1.492 RESID 122 (Y): N 120.500 120.500 120.269 0.231 RESID 122 (Y): C 176.100 176.100 177.674 -1.574 RESID 122 (Y): CA 60.900 60.900 59.761 1.139 RESID 122 (Y): CB 37.300 37.300 38.504 -1.204 RESID 123 (S): N 124.600 124.600 116.526 8.074 RESID 123 (S): C 173.900 173.900 176.372 -2.472 RESID 123 (S): CA 57.740 57.740 61.794 -4.054 RESID 123 (S): CB 59.870 59.870 62.589 -2.719 RESID 124 (G): N 107.700 107.700 109.460 -1.760 RESID 124 (G): C 171.000 171.000 175.755 -4.755 RESID 124 (G): CA 42.750 42.750 47.106 -4.356 RESID 125 (I): N 119.500 119.500 123.474 -3.974 RESID 125 (I): C 175.200 175.200 177.104 -1.904 RESID 125 (I): CA 62.950 62.950 63.453 -0.503 RESID 125 (I): CB 36.960 36.960 37.456 -0.496 RESID 126 (L): N 122.300 122.300 120.731 1.569 RESID 126 (L): C 173.600 173.600 178.466 -4.866 RESID 126 (L): CA 56.250 56.250 57.573 -1.323 RESID 127 (L): N 126.500 126.500 119.323 7.177 RESID 127 (L): C 176.100 176.100 179.160 -3.060 RESID 127 (L): CA 55.220 55.220 58.221 -3.001 RESID 127 (L): CB 41.670 41.670 41.704 -0.034 RESID 128 (L): N 121.000 121.000 119.223 1.777 RESID 128 (L): C 175.600 175.600 177.678 -2.078 RESID 128 (L): CA 57.170 57.170 58.402 -1.232 RESID 128 (L): CB 40.300 40.300 40.514 -0.214 RESID 129 (A): N 125.800 125.800 123.199 2.601 RESID 129 (A): C 176.000 176.000 180.008 -4.008 RESID 129 (A): CA 52.970 52.970 55.034 -2.064 RESID 129 (A): CB 17.000 17.000 17.755 -0.755 RESID 130 (C): N 120.300 120.300 116.395 3.905 RESID 130 (C): C 177.000 177.000 176.952 0.048 RESID 130 (C): CA 62.070 62.070 64.479 -2.409 RESID 130 (C): CB 29.880 29.880 27.411 2.469 RESID 131 (I): N 121.300 121.300 122.404 -1.104 RESID 131 (I): C 174.000 174.000 178.719 -4.719 RESID 131 (I): CA 63.080 63.080 63.249 -0.169 RESID 131 (I): CB 36.220 36.220 36.832 -0.612 RESID 132 (S): N 117.700 117.700 116.593 1.107 RESID 132 (S): C 175.100 175.100 177.217 -2.117 RESID 132 (S): CA 63.990 63.990 62.117 1.873 RESID 132 (S): CB 66.120 66.120 62.852 3.268 RESID 133 (V): N 129.800 129.800 123.689 6.111 RESID 133 (V): C 177.700 177.700 177.778 -0.078 RESID 133 (V): CA 68.050 68.050 67.361 0.689 RESID 134 (D): N 124.000 124.000 119.372 4.628 RESID 134 (D): C 174.100 174.100 178.331 -4.231 RESID 134 (D): CA 57.500 57.500 57.178 0.322 RESID 134 (D): CB 40.400 40.400 40.410 -0.010 RESID 135 (R): N 124.200 124.200 119.427 4.773 RESID 135 (R): C 174.400 174.400 178.254 -3.854 RESID 135 (R): CA 58.420 58.420 59.325 -0.905 RESID 135 (R): CB 30.700 30.700 29.952 0.748 RESID 136 (Y): N 121.000 121.000 119.879 1.121 RESID 136 (Y): C 176.400 176.400 178.366 -1.966 RESID 136 (Y): CA 60.250 60.250 61.012 -0.762 RESID 136 (Y): CB 37.350 37.350 38.152 -0.802 RESID 137 (L): N 121.400 121.400 117.812 3.588 RESID 137 (L): C 173.700 173.700 177.700 -4.000 RESID 137 (L): CA 54.870 54.870 57.099 -2.229 RESID 137 (L): CB 41.670 41.670 42.270 -0.600 RESID 138 (A): N 125.800 125.800 120.942 4.858 RESID 138 (A): C 176.100 176.100 177.969 -1.869 RESID 138 (A): CA 52.860 52.860 54.141 -1.281 RESID 138 (A): CB 17.270 17.270 19.550 -2.280 RESID 139 (I): N 120.000 120.000 116.422 3.578 RESID 139 (I): C 175.700 175.700 174.951 0.749 RESID 139 (I): CA 60.000 60.000 61.499 -1.499 RESID 139 (I): CB 30.290 30.290 39.607 -9.317 RESID 140 (V): N 118.700 118.700 116.270 2.430 RESID 140 (V): C 173.900 173.900 174.870 -0.970 RESID 140 (V): CA 61.920 61.920 61.242 0.678 RESID 140 (V): CB 30.900 30.900 31.932 -1.032 RESID 141 (H): N 117.200 117.200 119.323 -2.123 RESID 141 (H): C 177.900 177.900 174.952 2.948 RESID 141 (H): CA 58.860 58.860 55.651 3.209 RESID 141 (H): CB 30.090 30.090 27.424 2.666 RESID 142 (A): N 121.200 121.200 123.495 -2.295 RESID 142 (A): C 174.600 174.600 177.333 -2.733 RESID 142 (A): CA 53.170 53.170 52.748 0.422 RESID 142 (A): CB 16.580 16.580 17.927 -1.347 RESID 143 (T): N 118.000 118.000 117.597 0.403 RESID 143 (T): C 177.000 177.000 174.843 2.157 RESID 143 (T): CA 62.520 62.520 64.602 -2.082 RESID 143 (T): CB 64.330 64.330 67.950 -3.620 RESID 144 (R): CA 57.250 57.250 56.488 0.762 RESID 144 (R): CB 30.340 30.340 31.613 -1.273 RESID 145 (T): N 119.700 119.700 109.453 10.247 RESID 145 (T): C 177.000 177.000 174.103 2.897 RESID 145 (T): CA 62.370 62.370 62.022 0.348 RESID 145 (T): CB 64.120 64.120 69.837 -5.717 RESID 146 (L): N 127.900 127.900 124.960 2.940 RESID 146 (L): C 173.200 173.200 175.389 -2.189 RESID 146 (L): CA 55.790 55.790 55.255 0.535 RESID 146 (L): CB 40.570 40.570 41.366 -0.796 RESID 147 (T): N 124.000 124.000 115.376 8.624 RESID 147 (T): C 177.700 177.700 173.756 3.944 RESID 147 (T): CA 62.050 62.050 61.308 0.742 RESID 147 (T): CB 63.770 63.770 70.896 -7.126 RESID 148 (Q): N 122.800 122.800 121.814 0.986 RESID 148 (Q): C 176.700 176.700 176.960 -0.260 RESID 148 (Q): CA 53.470 53.470 56.407 -2.937 RESID 148 (Q): CB 29.310 29.310 29.865 -0.555 RESID 149 (K): N 120.900 120.900 124.510 -3.610 RESID 149 (K): C 175.900 175.900 178.631 -2.731 RESID 149 (K): CA 59.440 59.440 59.176 0.264 RESID 150 (R): N 122.200 122.200 118.783 3.417 RESID 150 (R): C 177.500 177.500 177.833 -0.333 RESID 150 (R): CA 56.700 56.700 59.690 -2.990 RESID 150 (R): CB 31.150 31.150 29.487 1.663 RESID 151 (H): N 117.300 117.300 118.119 -0.819 RESID 151 (H): C 177.800 177.800 177.297 0.503 RESID 151 (H): CA 59.130 59.130 58.672 0.458 RESID 151 (H): CB 29.400 29.400 29.706 -0.305 RESID 152 (L): N 120.400 120.400 119.741 0.659 RESID 152 (L): C 176.800 176.800 178.772 -1.972 RESID 152 (L): CA 56.150 56.150 58.070 -1.920 RESID 152 (L): CB 39.810 39.810 41.368 -1.558 RESID 153 (V): N 121.500 121.500 117.626 3.874 RESID 153 (V): C 174.300 174.300 178.414 -4.114 RESID 153 (V): CA 61.240 61.240 66.761 -5.521 RESID 154 (K): N 117.000 117.000 121.205 -4.205 RESID 154 (K): C 175.300 175.300 178.834 -3.534 RESID 154 (K): CA 59.000 59.000 59.269 -0.269 RESID 155 (F): N 121.100 121.100 121.394 -0.294 RESID 155 (F): C 176.600 176.600 177.746 -1.146 RESID 155 (F): CA 61.200 61.200 61.427 -0.227 RESID 156 (V): N 123.800 123.800 120.198 3.602 RESID 156 (V): C 177.700 177.700 177.624 0.076 RESID 156 (V): CA 62.170 62.170 66.358 -4.188 RESID 156 (V): CB 33.400 33.400 31.170 2.230 RESID 157 (C): CA 58.260 58.260 64.265 -6.005 RESID 158 (L): N 122.900 122.900 121.457 1.443 RESID 158 (L): C 175.500 175.500 178.616 -3.116 RESID 158 (L): CA 55.750 55.750 58.171 -2.421 RESID 159 (G): N 104.900 104.900 105.902 -1.002 RESID 159 (G): C 176.200 176.200 176.158 0.042 RESID 159 (G): CA 44.750 44.750 47.118 -2.368 RESID 160 (C): N 116.700 116.700 121.400 -4.700 RESID 160 (C): C 181.100 181.100 177.029 4.071 RESID 160 (C): CA 59.000 59.000 63.771 -4.771 RESID 160 (C): CB 29.130 29.130 27.520 1.610 RESID 161 (W): N 119.000 119.000 121.154 -2.154 RESID 161 (W): C 174.900 174.900 179.037 -4.137 RESID 161 (W): CA 55.880 55.880 60.364 -4.484 RESID 162 (G): N 108.300 108.300 106.137 2.163 RESID 162 (G): C 173.600 173.600 175.724 -2.124 RESID 162 (G): CA 45.100 45.100 47.356 -2.256 RESID 163 (L): N 120.200 120.200 122.215 -2.015 RESID 163 (L): C 173.500 173.500 178.812 -5.312 RESID 163 (L): CA 55.800 55.800 56.799 -0.999 RESID 163 (L): CB 39.850 39.850 42.015 -2.165 RESID 164 (S): N 117.200 117.200 115.298 1.902 RESID 164 (S): C 175.000 175.000 176.599 -1.599 RESID 164 (S): CA 55.600 55.600 61.560 -5.960 RESID 164 (S): CB 65.660 65.660 62.737 2.923 RESID 165 (M): N 121.200 121.200 122.503 -1.303 RESID 165 (M): C 175.500 175.500 177.299 -1.799 RESID 165 (M): CA 57.600 57.600 59.150 -1.550 RESID 165 (M): CB 30.000 30.000 32.691 -2.691 RESID 166 (N): N 120.200 120.200 116.266 3.934 RESID 166 (N): C 176.500 176.500 176.435 0.065 RESID 166 (N): CA 56.080 56.080 55.166 0.914 RESID 166 (N): CB 38.940 38.940 38.357 0.583 RESID 167 (L): N 120.800 120.800 119.197 1.603 RESID 167 (L): C 177.200 177.200 177.248 -0.048 RESID 167 (L): CA 64.900 64.900 56.878 8.022 RESID 167 (L): CB 36.400 36.400 42.559 -6.159 RESID 168 (S): N 119.400 119.400 113.794 5.606 RESID 168 (S): C 174.100 174.100 177.034 -2.934 RESID 168 (S): CA 55.700 55.700 61.038 -5.338 RESID 168 (S): CB 57.600 57.600 62.923 -5.323 RESID 169 (L): N 122.900 122.900 123.646 -0.746 RESID 169 (L): C 177.500 177.500 175.503 1.997 RESID 169 (L): CA 56.460 56.460 60.225 -3.765 RESID 169 (L): CB 39.200 39.200 39.761 -0.561 RESID 171 (F): N 118.600 118.600 116.877 1.723 RESID 171 (F): C 173.600 173.600 175.964 -2.364 RESID 171 (F): CA 61.700 61.700 59.882 1.818 RESID 172 (F): N 116.300 116.300 115.696 0.604 RESID 172 (F): C 174.200 174.200 177.017 -2.817 RESID 172 (F): CA 59.500 59.500 60.516 -1.016 RESID 172 (F): CB 42.000 42.000 38.807 3.192 RESID 173 (L): N 120.400 120.400 118.196 2.204 RESID 173 (L): C 177.300 177.300 178.263 -0.963 RESID 173 (L): CA 54.730 54.730 57.729 -2.999 RESID 173 (L): CB 37.230 37.230 42.538 -5.308 RESID 174 (F): N 121.200 121.200 112.255 8.945 RESID 174 (F): C 177.000 177.000 175.286 1.714 RESID 174 (F): CA 59.000 59.000 58.176 0.824 RESID 174 (F): CB 43.220 43.220 42.663 0.557 RESID 175 (R): N 118.500 118.500 120.304 -1.804 RESID 175 (R): C 178.400 178.400 177.029 1.371 RESID 175 (R): CA 56.200 56.200 56.180 0.020 RESID 176 (Q): N 122.100 122.100 119.589 2.511 RESID 176 (Q): C 178.000 178.000 174.107 3.893 RESID 176 (Q): CA 56.200 56.200 57.830 -1.630 RESID 177 (A): N 123.200 123.200 119.438 3.762 RESID 177 (A): C 176.900 176.900 175.249 1.651 RESID 177 (A): CA 54.300 54.300 51.841 2.459 RESID 177 (A): CB 16.870 16.870 20.442 -3.572 RESID 178 (Y): N 120.700 120.700 118.683 2.017 RESID 178 (Y): C 174.800 174.800 175.533 -0.733 RESID 178 (Y): CA 56.600 56.600 57.407 -0.807 RESID 178 (Y): CB 39.900 39.900 38.508 1.393 RESID 179 (H): N 119.600 119.600 119.800 -0.200 RESID 179 (H): C 176.600 176.600 173.379 3.221 RESID 179 (H): CA 58.220 58.220 53.995 4.224 RESID 179 (H): CB 31.560 31.560 30.494 1.066 RESID 181 (N): N 119.200 119.200 117.032 2.168 RESID 181 (N): C 172.500 172.500 174.420 -1.920 RESID 181 (N): CA 56.150 56.150 52.015 4.135 RESID 181 (N): CB 36.500 36.500 40.882 -4.382 RESID 182 (N): N 114.100 114.100 120.273 -6.173 RESID 182 (N): C 175.800 175.800 174.323 1.477 RESID 182 (N): CA 55.500 55.500 55.266 0.234 RESID 183 (S): N 117.200 117.200 115.052 2.148 RESID 183 (S): C 175.600 175.600 172.543 3.057 RESID 183 (S): CA 55.400 55.400 56.599 -1.199 RESID 183 (S): CB 63.800 63.800 62.723 1.077 RESID 184 (S): N 117.000 117.000 115.010 1.990 RESID 184 (S): C 175.000 175.000 172.470 2.530 RESID 184 (S): CA 55.500 55.500 56.729 -1.229 RESID 184 (S): CB 63.800 63.800 65.016 -1.216 RESID 186 (V): N 119.500 119.500 118.549 0.951 RESID 186 (V): C 175.300 175.300 174.767 0.533 RESID 186 (V): CA 65.290 65.290 60.897 4.393 RESID 186 (V): CB 30.120 30.120 31.969 -1.849 RESID 187 (C): N 116.500 116.500 125.227 -8.727 RESID 187 (C): C 176.300 176.300 174.108 2.192 RESID 187 (C): CA 56.000 56.000 59.382 -3.382 RESID 187 (C): CB 40.000 40.000 29.998 10.002 RESID 188 (Y): N 121.300 121.300 122.065 -0.765 RESID 188 (Y): C 176.500 176.500 173.669 2.831 RESID 188 (Y): CA 55.860 55.860 55.314 0.546 RESID 188 (Y): CB 40.240 40.240 39.900 0.340 RESID 189 (E): N 122.000 122.000 119.505 2.495 RESID 189 (E): C 175.500 175.500 176.244 -0.744 RESID 189 (E): CA 57.900 57.900 56.143 1.757 RESID 189 (E): CB 31.840 31.840 29.735 2.105 RESID 190 (V): N 123.500 123.500 116.675 6.825 RESID 190 (V): C 172.800 172.800 176.606 -3.806 RESID 190 (V): CA 65.670 65.670 62.529 3.142 RESID 190 (V): CB 29.200 29.200 32.028 -2.828 RESID 191 (L): N 129.900 129.900 126.740 3.160 RESID 191 (L): CA 55.500 55.500 57.191 -1.691 RESID 192 (G): N 107.500 107.500 101.893 5.607 RESID 192 (G): C 173.500 173.500 172.765 0.735 RESID 192 (G): CA 44.870 44.870 44.389 0.481 RESID 193 (N): N 116.600 116.600 116.917 -0.317 RESID 193 (N): CA 52.800 52.800 55.706 -2.906 RESID 193 (N): CB 39.560 39.560 38.684 0.876 RESID 194 (D): N 123.100 123.100 115.199 7.901 RESID 194 (D): C 172.800 172.800 176.370 -3.570 RESID 194 (D): CA 53.900 53.900 54.773 -0.873 RESID 194 (D): CB 39.700 39.700 39.306 0.394 RESID 195 (T): N 118.800 118.800 113.231 5.569 RESID 195 (T): C 175.500 175.500 174.830 0.670 RESID 195 (T): CA 63.000 63.000 64.757 -1.757 RESID 196 (A): N 123.300 123.300 123.319 -0.019 RESID 196 (A): C 173.000 173.000 178.146 -5.146 RESID 196 (A): CA 53.800 53.800 54.197 -0.397 RESID 196 (A): CB 17.240 17.240 18.650 -1.410 RESID 197 (K): N 121.700 121.700 114.650 7.050 RESID 197 (K): C 175.000 175.000 175.670 -0.670 RESID 197 (K): CA 56.900 56.900 55.126 1.774 RESID 197 (K): CB 29.900 29.900 33.413 -3.513 RESID 198 (W): N 120.700 120.700 120.207 0.493 RESID 198 (W): C 177.600 177.600 177.063 0.537 RESID 198 (W): CA 59.300 59.300 58.021 1.279 RESID 198 (W): CB 29.700 29.700 25.902 3.798 RESID 199 (R): N 123.500 123.500 119.674 3.826 RESID 199 (R): C 178.100 178.100 177.729 0.371 RESID 199 (R): CA 55.950 55.950 58.869 -2.919 RESID 199 (R): CB 31.060 31.060 29.674 1.386 RESID 200 (M): N 119.900 119.900 119.967 -0.067 RESID 200 (M): C 175.400 175.400 177.825 -2.425 RESID 200 (M): CA 58.100 58.100 58.986 -0.886 RESID 200 (M): CB 31.100 31.100 32.572 -1.472 RESID 201 (V): N 123.700 123.700 117.258 6.442 RESID 201 (V): C 174.900 174.900 177.812 -2.912 RESID 201 (V): CA 65.700 65.700 65.151 0.549 RESID 201 (V): CB 29.180 29.180 30.494 -1.315 RESID 202 (L): N 124.000 124.000 120.944 3.056 RESID 202 (L): C 172.700 172.700 178.395 -5.695 RESID 202 (L): CA 54.800 54.800 58.689 -3.889 RESID 203 (R): N 124.000 124.000 118.998 5.002 RESID 203 (R): C 176.200 176.200 178.930 -2.730 RESID 203 (R): CA 55.800 55.800 59.289 -3.489 RESID 203 (R): CB 31.260 31.260 30.067 1.193 RESID 204 (I): N 120.500 120.500 119.678 0.822 RESID 204 (I): C 176.000 176.000 177.695 -1.695 RESID 204 (I): CA 64.700 64.700 62.636 2.063 RESID 204 (I): CB 36.400 36.400 38.238 -1.838 RESID 205 (L): N 123.400 123.400 121.458 1.942 RESID 205 (L): C 176.000 176.000 176.586 -0.586 RESID 205 (L): CA 55.000 55.000 60.862 -5.862 RESID 206 (P): CA 62.500 62.500 66.463 -3.962 RESID 207 (H): N 113.500 113.500 116.254 -2.754 RESID 207 (H): C 175.200 175.200 177.379 -2.179 RESID 207 (H): CA 53.110 53.110 59.216 -6.106 RESID 207 (H): CB 30.000 30.000 30.537 -0.537 RESID 208 (T): N 122.100 122.100 115.562 6.538 RESID 208 (T): C 178.000 178.000 176.465 1.535 RESID 208 (T): CA 62.850 62.850 66.356 -3.506 RESID 209 (F): N 117.500 117.500 122.504 -5.004 RESID 209 (F): C 175.400 175.400 176.450 -1.050 RESID 209 (F): CA 59.850 59.850 59.648 0.202 RESID 210 (G): N 111.700 111.700 107.262 4.438 RESID 210 (G): C 174.100 174.100 174.131 -0.031 RESID 210 (G): CA 45.000 45.000 45.897 -0.897 RESID 211 (F): N 120.900 120.900 120.560 0.340 RESID 211 (F): C 175.000 175.000 176.282 -1.282 RESID 211 (F): CA 55.950 55.950 59.040 -3.090 RESID 212 (I): N 120.100 120.100 120.408 -0.308 RESID 212 (I): C 175.900 175.900 177.205 -1.305 RESID 212 (I): CA 64.440 64.440 64.584 -0.144 RESID 212 (I): CB 36.600 36.600 37.644 -1.044 RESID 213 (V): N 123.400 123.400 120.022 3.378 RESID 213 (V): C 175.300 175.300 174.776 0.524 RESID 213 (V): CA 65.750 65.750 68.548 -2.798 RESID 213 (V): CB 29.680 29.680 28.973 0.707 RESID 215 (L): N 125.300 125.300 120.089 5.211 RESID 215 (L): C 177.200 177.200 178.243 -1.043 RESID 215 (L): CA 55.700 55.700 58.144 -2.444 RESID 215 (L): CB 40.150 40.150 41.786 -1.636 RESID 216 (F): N 123.800 123.800 117.771 6.029 RESID 216 (F): C 179.200 179.200 177.083 2.117 RESID 216 (F): CA 60.650 60.650 60.318 0.332 RESID 216 (F): CB 37.000 37.000 38.159 -1.159 RESID 217 (V): N 118.500 118.500 119.771 -1.271 RESID 217 (V): C 175.400 175.400 177.412 -2.012 RESID 217 (V): CA 65.660 65.660 65.811 -0.151 RESID 217 (V): CB 29.920 29.920 31.145 -1.225 RESID 218 (M): N 118.300 118.300 118.538 -0.238 RESID 218 (M): C 174.400 174.400 178.352 -3.952 RESID 218 (M): CA 55.000 55.000 58.627 -3.627 RESID 218 (M): CB 31.650 31.650 31.291 0.359 RESID 219 (L): N 120.500 120.500 118.235 2.265 RESID 219 (L): C 177.600 177.600 179.574 -1.974 RESID 219 (L): CA 55.800 55.800 57.825 -2.025 RESID 219 (L): CB 40.810 40.810 40.350 0.460 RESID 220 (F): N 124.700 124.700 119.395 5.305 RESID 220 (F): C 176.000 176.000 177.498 -1.498 RESID 220 (F): CA 61.170 61.170 60.610 0.560 RESID 221 (C): N 117.800 117.800 117.203 0.597 RESID 221 (C): C 176.000 176.000 177.003 -1.003 RESID 221 (C): CA 61.870 61.870 62.031 -0.161 RESID 222 (Y): N 122.000 122.000 122.375 -0.375 RESID 222 (Y): C 178.400 178.400 178.630 -0.230 RESID 222 (Y): CA 57.500 57.500 59.727 -2.227 RESID 222 (Y): CB 37.150 37.150 37.100 0.050 RESID 223 (G): N 110.300 110.300 106.565 3.735 RESID 223 (G): C 174.500 174.500 176.520 -2.020 RESID 223 (G): CA 41.700 41.700 47.197 -5.497 RESID 224 (F): N 120.100 120.100 120.530 -0.430 RESID 224 (F): C 176.500 176.500 178.765 -2.265 RESID 224 (F): CA 62.300 62.300 58.184 4.117 RESID 224 (F): CB 36.900 36.900 37.995 -1.095 RESID 225 (T): N 118.500 118.500 117.638 0.862 RESID 225 (T): C 175.000 175.000 176.979 -1.979 RESID 225 (T): CA 64.650 64.650 66.317 -1.667 RESID 226 (L): N 122.900 122.900 120.695 2.205 RESID 226 (L): C 177.200 177.200 176.818 0.382 RESID 226 (L): CA 55.900 55.900 56.827 -0.926 RESID 226 (L): CB 39.400 39.400 41.397 -1.997 RESID 227 (R): N 121.000 121.000 117.515 3.485 RESID 227 (R): C 177.200 177.200 177.619 -0.419 RESID 227 (R): CA 54.600 54.600 58.593 -3.993 RESID 227 (R): CB 28.500 28.500 30.425 -1.925 RESID 228 (T): N 119.600 119.600 112.912 6.688 RESID 228 (T): C 176.900 176.900 174.804 2.096 RESID 228 (T): CA 64.750 64.750 62.949 1.801 RESID 228 (T): CB 66.560 66.560 70.526 -3.966 RESID 229 (L): N 125.600 125.600 125.758 -0.158 RESID 229 (L): C 177.800 177.800 176.845 0.955 RESID 229 (L): CA 55.700 55.700 53.307 2.393 RESID 229 (L): CB 40.260 40.260 41.193 -0.933 RESID 230 (F): N 121.900 121.900 123.039 -1.139 RESID 230 (F): C 176.900 176.900 176.281 0.619 RESID 230 (F): CA 58.770 58.770 59.962 -1.192 RESID 230 (F): CB 41.940 41.940 38.427 3.513 RESID 231 (K): N 121.600 121.600 119.062 2.538 RESID 231 (K): C 174.900 174.900 175.773 -0.873 RESID 231 (K): CA 56.000 56.000 55.561 0.439 RESID 231 (K): CB 30.900 30.900 32.610 -1.710 RESID 232 (A): N 123.500 123.500 123.294 0.206 RESID 232 (A): C 176.900 176.900 176.240 0.660 RESID 232 (A): CA 54.000 54.000 52.930 1.070 RESID 232 (A): CB 21.830 21.830 18.395 3.435 RESID 233 (H): N 123.500 123.500 117.811 5.689 RESID 233 (H): C 176.100 176.100 173.542 2.558 RESID 233 (H): CA 55.700 55.700 53.342 2.358 RESID 233 (H): CB 29.060 29.060 28.233 0.827 RESID 234 (M): N 120.000 120.000 121.402 -1.402 RESID 234 (M): C 176.700 176.700 176.238 0.462 RESID 234 (M): CA 58.000 58.000 56.578 1.421 RESID 234 (M): CB 31.810 31.810 32.405 -0.595 RESID 235 (G): N 109.600 109.600 111.496 -1.896 RESID 235 (G): C 173.300 173.300 174.326 -1.026 RESID 235 (G): CA 42.800 42.800 44.352 -1.552 RESID 236 (Q): N 116.800 116.800 120.765 -3.965 RESID 236 (Q): C 173.100 173.100 177.787 -4.687 RESID 236 (Q): CA 55.000 55.000 57.880 -2.880 RESID 236 (Q): CB 25.400 25.400 28.608 -3.208 RESID 237 (K): N 123.200 123.200 117.466 5.734 RESID 237 (K): C 178.100 178.100 176.342 1.758 RESID 237 (K): CA 56.000 56.000 57.200 -1.200 RESID 237 (K): CB 31.110 31.110 31.483 -0.373 RESID 238 (H): N 123.600 123.600 115.997 7.603 RESID 238 (H): C 177.000 177.000 176.895 0.105 RESID 238 (H): CA 54.720 54.720 57.136 -2.416 RESID 238 (H): CB 30.000 30.000 31.519 -1.519 RESID 239 (R): N 122.100 122.100 121.754 0.346 RESID 239 (R): C 176.600 176.600 177.806 -1.206 RESID 239 (R): CA 55.650 55.650 58.647 -2.997 RESID 239 (R): CB 31.100 31.100 28.536 2.564 RESID 240 (A): N 121.800 121.800 123.552 -1.752 RESID 240 (A): C 175.900 175.900 179.137 -3.237 RESID 240 (A): CA 52.800 52.800 55.179 -2.379 RESID 240 (A): CB 16.700 16.700 17.990 -1.290 RESID 241 (M): N 120.200 120.200 118.228 1.972 RESID 241 (M): C 175.600 175.600 178.210 -2.610 RESID 241 (M): CA 58.100 58.100 59.167 -1.067 RESID 241 (M): CB 31.810 31.810 32.444 -0.634 RESID 242 (R): N 121.200 121.200 118.878 2.322 RESID 242 (R): C 177.400 177.400 178.896 -1.496 RESID 242 (R): CA 56.000 56.000 59.090 -3.090 RESID 242 (R): CB 30.910 30.910 30.015 0.895 RESID 243 (V): N 119.700 119.700 120.137 -0.437 RESID 243 (V): C 175.600 175.600 178.392 -2.792 RESID 243 (V): CA 65.470 65.470 65.651 -0.181 RESID 243 (V): CB 29.400 29.400 30.768 -1.369 RESID 244 (I): N 120.900 120.900 120.984 -0.084 RESID 244 (I): C 175.500 175.500 177.889 -2.389 RESID 244 (I): CA 64.600 64.600 65.945 -1.345 RESID 244 (I): CB 36.800 36.800 37.946 -1.145 RESID 245 (F): N 117.200 117.200 119.866 -2.666 RESID 245 (F): C 175.100 175.100 176.700 -1.600 RESID 245 (F): CA 60.200 60.200 61.403 -1.203 RESID 245 (F): CB 39.770 39.770 38.758 1.012 RESID 246 (A): N 122.300 122.300 122.625 -0.325 RESID 246 (A): C 177.700 177.700 179.103 -1.403 RESID 246 (A): CA 53.200 53.200 55.220 -2.020 RESID 246 (A): CB 16.880 16.880 18.126 -1.246 RESID 247 (V): N 121.000 121.000 115.705 5.295 RESID 247 (V): C 175.000 175.000 177.887 -2.887 RESID 247 (V): CA 66.450 66.450 66.195 0.255 RESID 247 (V): CB 29.550 29.550 31.436 -1.886 RESID 248 (V): N 122.300 122.300 120.950 1.350 RESID 248 (V): C 177.200 177.200 178.301 -1.101 RESID 248 (V): CA 64.860 64.860 66.467 -1.607 RESID 248 (V): CB 30.140 30.140 30.690 -0.550 RESID 249 (L): N 119.300 119.300 120.363 -1.063 RESID 249 (L): C 176.400 176.400 179.758 -3.358 RESID 249 (L): CA 56.180 56.180 57.796 -1.616 RESID 249 (L): CB 40.650 40.650 40.255 0.395 RESID 250 (I): N 121.200 121.200 120.278 0.922 RESID 250 (I): C 176.900 176.900 178.233 -1.333 RESID 250 (I): CA 64.200 64.200 65.137 -0.937 RESID 250 (I): CB 36.700 36.700 37.579 -0.879 RESID 251 (F): N 125.100 125.100 119.879 5.221 RESID 251 (F): C 177.100 177.100 178.161 -1.061 RESID 251 (F): CA 59.800 59.800 60.559 -0.759 RESID 252 (L): N 118.800 118.800 118.832 -0.032 RESID 252 (L): C 176.700 176.700 178.881 -2.181 RESID 252 (L): CA 56.000 56.000 56.944 -0.944 RESID 252 (L): CB 40.700 40.700 41.059 -0.359 RESID 253 (L): N 121.800 121.800 121.452 0.348 RESID 253 (L): C 176.700 176.700 177.816 -1.116 RESID 253 (L): CA 56.220 56.220 58.237 -2.017 RESID 253 (L): CB 40.000 40.000 41.017 -1.017 RESID 254 (C): N 119.800 119.800 115.857 3.943 RESID 254 (C): C 176.800 176.800 177.137 -0.337 RESID 254 (C): CA 58.300 58.300 59.212 -0.913 RESID 254 (C): CB 28.040 28.040 29.214 -1.174 RESID 255 (W): N 121.300 121.300 122.119 -0.819 RESID 255 (W): C 178.400 178.400 176.781 1.619 RESID 255 (W): CA 56.940 56.940 58.415 -1.475 RESID 255 (W): CB 29.850 29.850 29.626 0.224 RESID 256 (L): N 124.900 124.900 123.372 1.528 RESID 256 (L): C 177.700 177.700 175.376 2.324 RESID 256 (L): CA 55.840 55.840 58.874 -3.034 RESID 256 (L): CB 40.000 40.000 38.917 1.083 RESID 258 (Y): N 124.900 124.900 120.121 4.779 RESID 258 (Y): C 179.000 179.000 177.370 1.630 RESID 258 (Y): CA 58.330 58.330 61.460 -3.130 RESID 258 (Y): CB 42.070 42.070 37.970 4.100 RESID 259 (N): N 123.000 123.000 118.089 4.911 RESID 259 (N): C 173.000 173.000 177.146 -4.146 RESID 259 (N): CA 53.900 53.900 55.558 -1.658 RESID 259 (N): CB 37.620 37.620 38.441 -0.821 RESID 260 (L): N 121.800 121.800 121.450 0.350 RESID 260 (L): C 175.300 175.300 178.490 -3.190 RESID 260 (L): CA 56.190 56.190 58.345 -2.155 RESID 260 (L): CB 39.060 39.060 42.037 -2.977 RESID 261 (V): N 118.600 118.600 118.472 0.128 RESID 261 (V): C 175.000 175.000 177.561 -2.561 RESID 261 (V): CA 65.200 65.200 65.982 -0.782 RESID 261 (V): CB 29.620 29.620 31.756 -2.136 RESID 262 (L): N 121.800 121.800 121.625 0.175 RESID 262 (L): C 176.600 176.600 177.856 -1.256 RESID 262 (L): CA 56.000 56.000 58.641 -2.641 RESID 262 (L): CB 40.070 40.070 41.520 -1.450 RESID 263 (L): N 123.500 123.500 117.649 5.851 RESID 263 (L): C 176.000 176.000 179.140 -3.140 RESID 263 (L): CA 55.600 55.600 57.941 -2.341 RESID 263 (L): CB 40.620 40.620 40.337 0.283 RESID 264 (A): N 122.200 122.200 122.015 0.185 RESID 264 (A): C 174.400 174.400 179.442 -5.042 RESID 264 (A): CA 53.300 53.300 55.294 -1.994 RESID 264 (A): CB 15.820 15.820 17.819 -1.999 RESID 265 (D): N 126.500 126.500 118.878 7.622 RESID 265 (D): C 171.600 171.600 179.312 -7.712 RESID 265 (D): CA 56.300 56.300 57.103 -0.803 RESID 266 (T): N 120.700 120.700 113.382 7.318 RESID 266 (T): C 175.300 175.300 176.819 -1.519 RESID 266 (T): CA 60.300 60.300 65.809 -5.509 RESID 267 (L): N 121.600 121.600 119.848 1.752 RESID 267 (L): C 176.100 176.100 176.890 -0.790 RESID 267 (L): CA 55.950 55.950 55.341 0.609 RESID 267 (L): CB 40.130 40.130 42.281 -2.151 RESID 268 (M): N 120.200 120.200 118.468 1.732 RESID 268 (M): C 176.800 176.800 176.165 0.635 RESID 268 (M): CA 58.200 58.200 55.104 3.096 RESID 268 (M): CB 31.900 31.900 31.895 0.005 RESID 269 (R): N 116.700 116.700 119.431 -2.731 RESID 269 (R): C 175.500 175.500 176.379 -0.879 RESID 269 (R): CA 57.000 57.000 58.019 -1.019 RESID 269 (R): CB 29.700 29.700 29.836 -0.136 RESID 270 (T): N 117.100 117.100 108.956 8.144 RESID 270 (T): C 175.700 175.700 173.327 2.373 RESID 270 (T): CA 64.000 64.000 64.260 -0.260 RESID 271 (Q): N 122.800 122.800 119.098 3.702 RESID 271 (Q): C 176.000 176.000 175.962 0.038 RESID 271 (Q): CA 57.400 57.400 54.255 3.145 RESID 272 (V): N 121.300 121.300 115.273 6.027 RESID 272 (V): C 176.000 176.000 175.348 0.652 RESID 272 (V): CA 63.670 63.670 63.766 -0.096 RESID 272 (V): CB 35.310 35.310 31.208 4.102 RESID 273 (I): N 123.300 123.300 123.765 -0.465 RESID 273 (I): C 178.300 178.300 175.200 3.100 RESID 273 (I): CA 64.000 64.000 61.833 2.167 RESID 273 (I): CB 36.000 36.000 39.283 -3.283 RESID 274 (Q): N 123.400 123.400 119.910 3.490 RESID 274 (Q): C 176.000 176.000 175.104 0.896 RESID 274 (Q): CA 56.950 56.950 57.356 -0.406 RESID 275 (E): N 123.600 123.600 114.728 8.872 RESID 275 (E): C 177.200 177.200 175.699 1.501 RESID 275 (E): CA 55.730 55.730 55.701 0.029 RESID 275 (E): CB 29.130 29.130 30.128 -0.998 RESID 276 (S): N 116.400 116.400 118.984 -2.584 RESID 276 (S): CA 61.300 61.300 62.438 -1.137 RESID 276 (S): CB 63.340 63.340 63.486 -0.146 RESID 277 (C): N 117.200 117.200 118.599 -1.399 RESID 277 (C): C 175.600 175.600 177.305 -1.705 RESID 277 (C): CA 55.300 55.300 62.218 -6.918 RESID 277 (C): CB 25.240 25.240 26.246 -1.006 RESID 278 (E): N 120.900 120.900 120.950 -0.050 RESID 278 (E): C 175.200 175.200 178.817 -3.617 RESID 278 (E): CA 58.200 58.200 59.106 -0.906 RESID 278 (E): CB 28.890 28.890 28.828 0.062 RESID 279 (R): N 123.000 123.000 119.646 3.354 RESID 279 (R): C 176.600 176.600 178.897 -2.297 RESID 279 (R): CA 56.200 56.200 58.963 -2.763 RESID 279 (R): CB 29.500 29.500 30.019 -0.519 RESID 280 (R): N 124.000 124.000 117.528 6.472 RESID 280 (R): C 176.300 176.300 177.431 -1.131 RESID 280 (R): CA 55.870 55.870 58.636 -2.766 RESID 280 (R): CB 28.250 28.250 30.339 -2.089 RESID 281 (N): N 121.100 121.100 117.209 3.891 RESID 281 (N): C 174.600 174.600 177.236 -2.636 RESID 281 (N): CA 51.880 51.880 55.546 -3.666 RESID 281 (N): CB 37.700 37.700 39.157 -1.457 RESID 282 (N): N 121.600 121.600 119.504 2.096 RESID 282 (N): C 176.600 176.600 177.641 -1.041 RESID 282 (N): CA 55.800 55.800 56.138 -0.338 RESID 282 (N): CB 39.000 39.000 38.702 0.298 RESID 283 (I): N 120.800 120.800 119.156 1.644 RESID 283 (I): C 175.200 175.200 176.277 -1.077 RESID 283 (I): CA 64.500 64.500 63.275 1.225 RESID 283 (I): CB 36.600 36.600 37.470 -0.870 RESID 284 (G): N 110.500 110.500 105.372 5.128 RESID 284 (G): C 176.800 176.800 174.973 1.827 RESID 284 (G): CA 41.400 41.400 45.233 -3.833 RESID 286 (A): N 122.800 122.800 121.072 1.728 RESID 286 (A): C 178.500 178.500 179.225 -0.725 RESID 286 (A): CA 53.840 53.840 54.480 -0.639 RESID 286 (A): CB 16.630 16.630 18.459 -1.829 RESID 287 (L): N 125.500 125.500 116.636 8.864 RESID 287 (L): C 175.800 175.800 178.064 -2.264 RESID 287 (L): CA 56.150 56.150 58.061 -1.911 RESID 287 (L): CB 40.200 40.200 41.349 -1.149 RESID 288 (D): N 116.800 116.800 119.450 -2.650 RESID 288 (D): C 176.500 176.500 177.900 -1.400 RESID 288 (D): CA 56.250 56.250 57.268 -1.018 RESID 289 (A): N 124.600 124.600 121.933 2.667 RESID 289 (A): C 177.500 177.500 179.551 -2.051 RESID 289 (A): CA 53.250 53.250 55.060 -1.810 RESID 289 (A): CB 16.900 16.900 18.194 -1.294 RESID 290 (T): N 114.900 114.900 111.856 3.044 RESID 290 (T): C 177.000 177.000 175.696 1.304 RESID 290 (T): CA 64.100 64.100 64.061 0.039 RESID 291 (E): N 120.800 120.800 122.302 -1.502 RESID 291 (E): C 177.000 177.000 178.626 -1.626 RESID 291 (E): CA 57.500 57.500 58.793 -1.293 RESID 291 (E): CB 29.700 29.700 29.248 0.452 RESID 292 (I): N 121.300 121.300 117.624 3.676 RESID 292 (I): C 176.000 176.000 178.136 -2.136 RESID 292 (I): CA 64.300 64.300 64.513 -0.213 RESID 292 (I): CB 36.640 36.640 37.167 -0.527 RESID 293 (L): N 122.700 122.700 120.564 2.136 RESID 293 (L): C 175.100 175.100 179.368 -4.268 RESID 293 (L): CA 55.600 55.600 57.414 -1.814 RESID 293 (L): CB 39.440 39.440 40.786 -1.346 RESID 294 (G): N 108.500 108.500 107.079 1.421 RESID 294 (G): C 173.800 173.800 176.470 -2.670 RESID 294 (G): CA 45.030 45.030 46.779 -1.748 RESID 295 (F): N 121.600 121.600 122.061 -0.461 RESID 295 (F): C 177.500 177.500 176.736 0.764 RESID 295 (F): CA 58.500 58.500 57.831 0.669 RESID 296 (L): N 120.900 120.900 121.253 -0.353 RESID 296 (L): C 175.300 175.300 177.613 -2.313 RESID 296 (L): CA 55.900 55.900 56.389 -0.489 RESID 296 (L): CB 40.000 40.000 41.344 -1.344 RESID 297 (H): N 120.600 120.600 116.445 4.155 RESID 297 (H): C 176.600 176.600 175.668 0.932 RESID 297 (H): CA 57.700 57.700 57.612 0.088 RESID 297 (H): CB 30.130 30.130 28.663 1.468 RESID 298 (S): N 122.500 122.500 111.583 10.917 RESID 298 (S): C 177.700 177.700 173.943 3.757 RESID 298 (S): CA 62.580 62.580 57.748 4.832 RESID 298 (S): CB 64.530 64.530 64.178 0.352 RESID 299 (C): N 121.600 121.600 120.221 1.379 RESID 299 (C): C 177.300 177.300 175.641 1.659 RESID 299 (C): CA 59.200 59.200 59.815 -0.615 RESID 299 (C): CB 27.360 27.360 30.494 -3.134 RESID 300 (L): N 121.300 121.300 121.136 0.164 RESID 300 (L): C 179.000 179.000 177.863 1.137 RESID 300 (L): CA 54.960 54.960 58.361 -3.401 RESID 300 (L): CB 40.740 40.740 41.163 -0.423 RESID 301 (N): N 119.000 119.000 118.762 0.238 RESID 301 (N): C 176.600 176.600 174.171 2.429 RESID 301 (N): CA 53.300 53.300 57.768 -4.468 RESID 301 (N): CB 36.760 36.760 36.850 -0.090 RESID 302 (P): CA 58.860 58.860 65.654 -6.794 RESID 303 (I): N 120.900 120.900 119.149 1.751 RESID 303 (I): C 173.700 173.700 178.170 -4.470 RESID 303 (I): CA 66.500 66.500 65.389 1.111 RESID 303 (I): CB 36.650 36.650 37.907 -1.256 RESID 304 (I): N 120.400 120.400 120.195 0.205 RESID 304 (I): C 175.900 175.900 177.970 -2.070 RESID 304 (I): CA 65.800 65.800 65.159 0.641 RESID 304 (I): CB 36.330 36.330 37.791 -1.461 RESID 305 (Y): N 120.300 120.300 119.260 1.040 RESID 305 (Y): C 174.800 174.800 177.432 -2.632 RESID 305 (Y): CA 56.700 56.700 61.221 -4.521 RESID 305 (Y): CB 37.900 37.900 37.361 0.539 RESID 306 (A): N 123.300 123.300 121.269 2.031 RESID 306 (A): C 172.000 172.000 179.210 -7.210 RESID 306 (A): CA 54.350 54.350 54.413 -0.063 RESID 306 (A): CB 16.400 16.400 18.040 -1.640 RESID 307 (F): N 120.400 120.400 117.588 2.812 RESID 307 (F): C 175.900 175.900 177.490 -1.590 RESID 307 (F): CA 60.250 60.250 61.482 -1.232 RESID 307 (F): CB 40.200 40.200 38.852 1.348 RESID 308 (I): N 120.700 120.700 117.426 3.274 RESID 308 (I): C 177.200 177.200 177.621 -0.421 RESID 308 (I): CA 64.550 64.550 62.963 1.587 RESID 308 (I): CB 36.600 36.600 38.159 -1.559 RESID 309 (G): N 111.300 111.300 107.478 3.822 RESID 309 (G): C 174.000 174.000 173.608 0.392 RESID 309 (G): CA 41.600 41.600 45.389 -3.789 RESID 310 (Q): N 119.400 119.400 115.894 3.506 RESID 310 (Q): C 176.200 176.200 176.336 -0.136 RESID 310 (Q): CA 57.800 57.800 56.258 1.542 RESID 310 (Q): CB 31.900 31.900 29.939 1.961 RESID 311 (N): N 120.100 120.100 119.005 1.095 RESID 311 (N): C 175.600 175.600 176.699 -1.099 RESID 311 (N): CA 55.500 55.500 55.167 0.333 RESID 311 (N): CB 38.800 38.800 37.592 1.208 RESID 312 (F): N 120.700 120.700 119.698 1.002 RESID 312 (F): C 175.400 175.400 177.713 -2.313 RESID 312 (F): CA 58.300 58.300 61.028 -2.728 RESID 312 (F): CB 36.800 36.800 38.996 -2.196 RESID 313 (R): N 123.000 123.000 119.788 3.212 RESID 313 (R): C 174.500 174.500 178.076 -3.576 RESID 313 (R): CA 56.000 56.000 59.615 -3.615 RESID 313 (R): CB 29.300 29.300 29.969 -0.669 RESID 314 (H): N 122.100 122.100 116.590 5.510 RESID 314 (H): C 176.300 176.300 177.304 -1.004 RESID 314 (H): CA 58.600 58.600 57.816 0.783 RESID 314 (H): CB 29.900 29.900 29.746 0.154 RESID 315 (G): N 109.700 109.700 108.432 1.268 RESID 315 (G): C 174.100 174.100 175.770 -1.670 RESID 315 (G): CA 47.200 47.200 46.926 0.274 RESID 316 (F): N 123.600 123.600 120.838 2.762 RESID 316 (F): C 176.200 176.200 177.339 -1.139 RESID 316 (F): CA 58.200 58.200 61.012 -2.812 RESID 317 (L): N 122.000 122.000 120.015 1.985 RESID 317 (L): C 176.600 176.600 177.682 -1.082 RESID 317 (L): CA 55.700 55.700 57.215 -1.515 RESID 317 (L): CB 40.200 40.200 41.691 -1.491 RESID 318 (K): N 121.800 121.800 118.620 3.180 RESID 318 (K): C 177.500 177.500 179.001 -1.501 RESID 318 (K): CA 56.200 56.200 58.922 -2.722 RESID 318 (K): CB 30.000 30.000 31.202 -1.202 RESID 319 (I): N 120.600 120.600 119.577 1.023 RESID 319 (I): C 176.000 176.000 177.705 -1.705 RESID 319 (I): CA 65.200 65.200 63.574 1.626 RESID 319 (I): CB 36.400 36.400 37.837 -1.437 RESID 320 (L): N 121.900 121.900 118.056 3.844 RESID 320 (L): C 176.800 176.800 177.680 -0.880 RESID 320 (L): CA 56.200 56.200 57.461 -1.261 RESID 320 (L): CB 40.000 40.000 41.739 -1.739 RESID 321 (A): N 123.000 123.000 119.946 3.054 RESID 321 (A): C 177.100 177.100 178.979 -1.879 RESID 321 (A): CA 55.000 55.000 54.136 0.864 RESID 321 (A): CB 18.000 18.000 18.726 -0.726 RESID 322 (M): N 120.400 120.400 116.087 4.313 RESID 322 (M): C 173.300 173.300 177.248 -3.948 RESID 322 (M): CA 56.100 56.100 56.358 -0.258 RESID 323 (H): N 120.700 120.700 116.543 4.157 RESID 323 (H): C 173.200 173.200 175.689 -2.489 RESID 323 (H): CA 57.000 57.000 58.332 -1.332 RESID 323 (H): CB 29.700 29.700 28.462 1.238 N HA C CA CB H RESID 31 (M): -1.351 ----- -3.488 1.435 -0.689 ----- RESID 32 (L): 7.111 ----- -4.564 -2.129 -2.219 ----- RESID 33 (E): 12.006 ----- -3.166 -0.654 0.657 ----- RESID 34 (T): 0.899 ----- -3.079 2.288 -3.599 ----- RESID 35 (E): 2.595 ----- -7.916 -2.867 -0.280 ----- RESID 36 (T): -7.487 ----- -0.783 1.326 ----- ----- RESID 37 (L): -1.587 ----- 0.542 0.942 -0.283 ----- RESID 38 (N): -0.237 ----- 0.932 -0.349 2.517 ----- RESID 39 (K): 0.748 ----- -4.346 -3.172 -2.301 ----- RESID 40 (Y): 1.116 ----- -1.091 -2.075 2.031 ----- RESID 41 (V): 1.301 ----- -1.886 -1.592 -1.254 ----- RESID 42 (V): 0.942 ----- -2.176 -1.210 -1.862 ----- RESID 43 (I): 1.380 ----- -1.165 0.756 0.402 ----- RESID 44 (I): -0.134 ----- -2.833 -6.126 0.110 ----- RESID 45 (A): -0.975 ----- -3.860 -2.539 -1.226 ----- RESID 46 (Y): 1.172 ----- -2.518 -3.041 1.839 ----- RESID 47 (A): 2.212 ----- -4.574 -1.658 -2.545 ----- RESID 48 (L): -1.180 ----- -1.643 -0.826 ----- ----- RESID 49 (V): -2.030 ----- 2.916 1.431 -1.362 ----- RESID 50 (F): 7.435 ----- -6.416 0.693 4.474 ----- RESID 51 (L): 3.277 ----- -1.122 -2.672 -1.405 ----- RESID 52 (L): 4.686 ----- -4.851 -2.044 -2.406 ----- RESID 53 (S): 4.139 ----- -3.632 -2.907 ----- ----- RESID 54 (L): -0.530 ----- -1.588 -1.978 -1.983 ----- RESID 55 (L): 8.504 ----- -1.675 -1.542 -0.860 ----- RESID 56 (G): 2.103 ----- -1.170 0.477 ----- ----- RESID 57 (N): -1.228 ----- -0.626 -0.828 0.609 ----- RESID 58 (S): -4.334 ----- 3.874 -1.839 0.637 ----- RESID 59 (L): -1.552 ----- -1.267 -1.812 -0.355 ----- RESID 60 (V): 0.627 ----- -3.387 -0.262 -1.304 ----- RESID 61 (M): -0.140 ----- -2.292 -2.900 ----- ----- RESID 62 (L): 3.104 ----- -1.451 -1.531 -2.425 ----- RESID 63 (V): 1.438 ----- ----- -1.677 -2.520 ----- RESID 64 (I): 3.025 ----- -4.129 0.915 0.215 ----- RESID 65 (L): -2.159 ----- -4.253 -1.944 -2.852 ----- RESID 66 (Y): 4.560 ----- 1.973 -0.228 1.429 ----- RESID 67 (S): 0.929 ----- 0.011 2.245 -1.975 ----- RESID 68 (R): -5.548 ----- -1.894 1.642 ----- ----- RESID 69 (V): 3.061 ----- -1.014 3.376 -1.611 ----- RESID 70 (G): 3.735 ----- -0.156 -2.779 ----- ----- RESID 71 (R): 1.709 ----- 1.048 2.027 0.898 ----- RESID 72 (S): 1.105 ----- -1.864 1.179 ----- ----- RESID 73 (V): 3.195 ----- -0.448 0.931 -1.786 ----- RESID 74 (T): 3.091 ----- 0.523 -0.237 ----- ----- RESID 75 (D): -0.070 ----- -1.628 -1.147 0.255 ----- RESID 76 (V): 1.559 ----- -2.253 0.592 -0.792 ----- RESID 77 (Y): 4.170 ----- -2.427 -1.853 -1.523 ----- RESID 78 (L): 1.082 ----- -2.623 -1.911 -0.846 ----- RESID 79 (L): 6.410 ----- -2.990 -2.421 -1.498 ----- RESID 80 (N): 3.447 ----- 0.474 0.584 0.655 ----- RESID 81 (L): 2.862 ----- -1.621 -1.625 -3.369 ----- RESID 82 (A): 3.222 ----- -2.180 -1.922 -0.003 ----- RESID 83 (L): 2.902 ----- -2.733 -1.760 -0.907 ----- RESID 84 (A): 2.265 ----- -2.723 -0.618 -1.468 ----- RESID 85 (D): 0.753 ----- -0.133 -0.910 -1.252 ----- RESID 86 (L): 1.576 ----- -5.296 -2.328 -2.447 ----- RESID 87 (L): 2.176 ----- -3.597 -2.519 -1.539 ----- RESID 88 (F): 0.532 ----- -4.795 -5.104 2.309 ----- RESID 89 (A): 3.767 ----- -6.946 -1.891 -1.349 ----- RESID 90 (L): 1.362 ----- -5.708 -1.607 -2.197 ----- RESID 91 (T): 4.791 ----- 0.112 -3.915 0.400 ----- RESID 92 (L): -1.174 ----- 0.085 -4.371 1.239 ----- RESID 94 (I): 4.242 ----- -1.324 0.009 -0.939 ----- RESID 95 (W): -2.329 ----- -2.063 -3.068 -0.502 ----- RESID 96 (A): 4.330 ----- -0.120 -2.099 2.546 ----- RESID 97 (A): 3.132 ----- -1.184 -0.840 -1.364 ----- RESID 98 (S): -2.873 ----- ----- 1.835 ----- ----- RESID 99 (K): 0.958 ----- -0.999 -1.617 -2.184 ----- RESID 100 (V): 0.872 ----- -0.890 -0.447 -1.826 ----- RESID 101 (N): -0.655 ----- -2.237 -1.440 2.076 ----- RESID 102 (G): 2.985 ----- 1.419 1.094 ----- ----- RESID 103 (W): -0.283 ----- 0.096 2.978 0.307 ----- RESID 104 (I): 8.236 ----- 1.674 0.497 -5.309 ----- RESID 105 (F): 2.038 ----- 2.729 -2.131 -0.434 ----- RESID 106 (G): -1.105 ----- 1.600 -3.063 ----- ----- RESID 107 (T): 0.909 ----- -1.248 -0.766 0.626 ----- RESID 108 (F): 1.745 ----- -3.052 0.385 -1.647 ----- RESID 109 (L): 4.342 ----- -2.225 -2.800 -0.142 ----- RESID 110 (C): 0.241 ----- -0.341 -6.402 13.845 ----- RESID 111 (K): 0.782 ----- -0.243 -1.178 -2.010 ----- RESID 112 (V): 7.876 ----- -3.019 3.630 ----- ----- RESID 113 (V): 6.958 ----- -8.040 1.374 ----- ----- RESID 114 (S): 3.467 ----- -0.919 -0.809 -0.451 ----- RESID 115 (L): -3.614 ----- -4.155 -2.208 -0.738 ----- RESID 116 (L): 7.653 ----- -1.236 -1.893 -0.901 ----- RESID 117 (K): 1.670 ----- -5.421 -2.515 -1.597 ----- RESID 118 (E): -0.021 ----- -1.723 -4.078 -1.253 ----- RESID 119 (V): 6.602 ----- -3.718 -1.131 -2.300 ----- RESID 120 (N): 1.463 ----- -3.402 -0.454 0.532 ----- RESID 121 (F): 4.054 ----- -3.071 0.713 -1.492 ----- RESID 122 (Y): 0.231 ----- -1.574 1.139 -1.204 ----- RESID 123 (S): 8.074 ----- -2.472 -4.054 -2.719 ----- RESID 124 (G): -1.760 ----- -4.755 -4.356 ----- ----- RESID 125 (I): -3.974 ----- -1.904 -0.503 -0.496 ----- RESID 126 (L): 1.569 ----- -4.866 -1.323 ----- ----- RESID 127 (L): 7.177 ----- -3.060 -3.001 -0.034 ----- RESID 128 (L): 1.777 ----- -2.078 -1.232 -0.214 ----- RESID 129 (A): 2.601 ----- -4.008 -2.064 -0.755 ----- RESID 130 (C): 3.905 ----- 0.048 -2.409 2.469 ----- RESID 131 (I): -1.104 ----- -4.719 -0.169 -0.612 ----- RESID 132 (S): 1.107 ----- -2.117 1.873 3.268 ----- RESID 133 (V): 6.111 ----- -0.078 0.689 ----- ----- RESID 134 (D): 4.628 ----- -4.231 0.322 -0.010 ----- RESID 135 (R): 4.773 ----- -3.854 -0.905 0.748 ----- RESID 136 (Y): 1.121 ----- -1.966 -0.762 -0.802 ----- RESID 137 (L): 3.588 ----- -4.000 -2.229 -0.600 ----- RESID 138 (A): 4.858 ----- -1.869 -1.281 -2.280 ----- RESID 139 (I): 3.578 ----- 0.749 -1.499 -9.317 ----- RESID 140 (V): 2.430 ----- -0.970 0.678 -1.032 ----- RESID 141 (H): -2.123 ----- 2.948 3.209 2.666 ----- RESID 142 (A): -2.295 ----- -2.733 0.422 -1.347 ----- RESID 143 (T): 0.403 ----- 2.157 -2.082 -3.620 ----- RESID 144 (R): ----- ----- ----- 0.762 -1.273 ----- RESID 145 (T): 10.247 ----- 2.897 0.348 -5.717 ----- RESID 146 (L): 2.940 ----- -2.189 0.535 -0.796 ----- RESID 147 (T): 8.624 ----- 3.944 0.742 -7.126 ----- RESID 148 (Q): 0.986 ----- -0.260 -2.937 -0.555 ----- RESID 149 (K): -3.610 ----- -2.731 0.264 ----- ----- RESID 150 (R): 3.417 ----- -0.333 -2.990 1.663 ----- RESID 151 (H): -0.819 ----- 0.503 0.458 -0.305 ----- RESID 152 (L): 0.659 ----- -1.972 -1.920 -1.558 ----- RESID 153 (V): 3.874 ----- -4.114 -5.521 ----- ----- RESID 154 (K): -4.205 ----- -3.534 -0.269 ----- ----- RESID 155 (F): -0.294 ----- -1.146 -0.227 ----- ----- RESID 156 (V): 3.602 ----- 0.076 -4.188 2.230 ----- RESID 157 (C): ----- ----- ----- -6.005 ----- ----- RESID 158 (L): 1.443 ----- -3.116 -2.421 ----- ----- RESID 159 (G): -1.002 ----- 0.042 -2.368 ----- ----- RESID 160 (C): -4.700 ----- 4.071 -4.771 1.610 ----- RESID 161 (W): -2.154 ----- -4.137 -4.484 ----- ----- RESID 162 (G): 2.163 ----- -2.124 -2.256 ----- ----- RESID 163 (L): -2.015 ----- -5.312 -0.999 -2.165 ----- RESID 164 (S): 1.902 ----- -1.599 -5.960 2.923 ----- RESID 165 (M): -1.303 ----- -1.799 -1.550 -2.691 ----- RESID 166 (N): 3.934 ----- 0.065 0.914 0.583 ----- RESID 167 (L): 1.603 ----- -0.048 8.022 -6.159 ----- RESID 168 (S): 5.606 ----- -2.934 -5.338 -5.323 ----- RESID 169 (L): -0.746 ----- 1.997 -3.765 -0.561 ----- RESID 171 (F): 1.723 ----- -2.364 1.818 ----- ----- RESID 172 (F): 0.604 ----- -2.817 -1.016 3.192 ----- RESID 173 (L): 2.204 ----- -0.963 -2.999 -5.308 ----- RESID 174 (F): 8.945 ----- 1.714 0.824 0.557 ----- RESID 175 (R): -1.804 ----- 1.371 0.020 ----- ----- RESID 176 (Q): 2.511 ----- 3.893 -1.630 ----- ----- RESID 177 (A): 3.762 ----- 1.651 2.459 -3.572 ----- RESID 178 (Y): 2.017 ----- -0.733 -0.807 1.393 ----- RESID 179 (H): -0.200 ----- 3.221 4.224 1.066 ----- RESID 181 (N): 2.168 ----- -1.920 4.135 -4.382 ----- RESID 182 (N): -6.173 ----- 1.477 0.234 ----- ----- RESID 183 (S): 2.148 ----- 3.057 -1.199 1.077 ----- RESID 184 (S): 1.990 ----- 2.530 -1.229 -1.216 ----- RESID 186 (V): 0.951 ----- 0.533 4.393 -1.849 ----- RESID 187 (C): -8.727 ----- 2.192 -3.382 10.002 ----- RESID 188 (Y): -0.765 ----- 2.831 0.546 0.340 ----- RESID 189 (E): 2.495 ----- -0.744 1.757 2.105 ----- RESID 190 (V): 6.825 ----- -3.806 3.142 -2.828 ----- RESID 191 (L): 3.160 ----- ----- -1.691 ----- ----- RESID 192 (G): 5.607 ----- 0.735 0.481 ----- ----- RESID 193 (N): -0.317 ----- ----- -2.906 0.876 ----- RESID 194 (D): 7.901 ----- -3.570 -0.873 0.394 ----- RESID 195 (T): 5.569 ----- 0.670 -1.757 ----- ----- RESID 196 (A): -0.019 ----- -5.146 -0.397 -1.410 ----- RESID 197 (K): 7.050 ----- -0.670 1.774 -3.513 ----- RESID 198 (W): 0.493 ----- 0.537 1.279 3.798 ----- RESID 199 (R): 3.826 ----- 0.371 -2.919 1.386 ----- RESID 200 (M): -0.067 ----- -2.425 -0.886 -1.472 ----- RESID 201 (V): 6.442 ----- -2.912 0.549 -1.315 ----- RESID 202 (L): 3.056 ----- -5.695 -3.889 ----- ----- RESID 203 (R): 5.002 ----- -2.730 -3.489 1.193 ----- RESID 204 (I): 0.822 ----- -1.695 2.063 -1.838 ----- RESID 205 (L): 1.942 ----- -0.586 -5.862 ----- ----- RESID 206 (P): ----- ----- ----- -3.962 ----- ----- RESID 207 (H): -2.754 ----- -2.179 -6.106 -0.537 ----- RESID 208 (T): 6.538 ----- 1.535 -3.506 ----- ----- RESID 209 (F): -5.004 ----- -1.050 0.202 ----- ----- RESID 210 (G): 4.438 ----- -0.031 -0.897 ----- ----- RESID 211 (F): 0.340 ----- -1.282 -3.090 ----- ----- RESID 212 (I): -0.308 ----- -1.305 -0.144 -1.044 ----- RESID 213 (V): 3.378 ----- 0.524 -2.798 0.707 ----- RESID 215 (L): 5.211 ----- -1.043 -2.444 -1.636 ----- RESID 216 (F): 6.029 ----- 2.117 0.332 -1.159 ----- RESID 217 (V): -1.271 ----- -2.012 -0.151 -1.225 ----- RESID 218 (M): -0.238 ----- -3.952 -3.627 0.359 ----- RESID 219 (L): 2.265 ----- -1.974 -2.025 0.460 ----- RESID 220 (F): 5.305 ----- -1.498 0.560 ----- ----- RESID 221 (C): 0.597 ----- -1.003 -0.161 ----- ----- RESID 222 (Y): -0.375 ----- -0.230 -2.227 0.050 ----- RESID 223 (G): 3.735 ----- -2.020 -5.497 ----- ----- RESID 224 (F): -0.430 ----- -2.265 4.117 -1.095 ----- RESID 225 (T): 0.862 ----- -1.979 -1.667 ----- ----- RESID 226 (L): 2.205 ----- 0.382 -0.926 -1.997 ----- RESID 227 (R): 3.485 ----- -0.419 -3.993 -1.925 ----- RESID 228 (T): 6.688 ----- 2.096 1.801 -3.966 ----- RESID 229 (L): -0.158 ----- 0.955 2.393 -0.933 ----- RESID 230 (F): -1.139 ----- 0.619 -1.192 3.513 ----- RESID 231 (K): 2.538 ----- -0.873 0.439 -1.710 ----- RESID 232 (A): 0.206 ----- 0.660 1.070 3.435 ----- RESID 233 (H): 5.689 ----- 2.558 2.358 0.827 ----- RESID 234 (M): -1.402 ----- 0.462 1.421 -0.595 ----- RESID 235 (G): -1.896 ----- -1.026 -1.552 ----- ----- RESID 236 (Q): -3.965 ----- -4.687 -2.880 -3.208 ----- RESID 237 (K): 5.734 ----- 1.758 -1.200 -0.373 ----- RESID 238 (H): 7.603 ----- 0.105 -2.416 -1.519 ----- RESID 239 (R): 0.346 ----- -1.206 -2.997 2.564 ----- RESID 240 (A): -1.752 ----- -3.237 -2.379 -1.290 ----- RESID 241 (M): 1.972 ----- -2.610 -1.067 -0.634 ----- RESID 242 (R): 2.322 ----- -1.496 -3.090 0.895 ----- RESID 243 (V): -0.437 ----- -2.792 -0.181 -1.369 ----- RESID 244 (I): -0.084 ----- -2.389 -1.345 -1.145 ----- RESID 245 (F): -2.666 ----- -1.600 -1.203 1.012 ----- RESID 246 (A): -0.325 ----- -1.403 -2.020 -1.246 ----- RESID 247 (V): 5.295 ----- -2.887 0.255 -1.886 ----- RESID 248 (V): 1.350 ----- -1.101 -1.607 -0.550 ----- RESID 249 (L): -1.063 ----- -3.358 -1.616 0.395 ----- RESID 250 (I): 0.922 ----- -1.333 -0.937 -0.879 ----- RESID 251 (F): 5.221 ----- -1.061 -0.759 ----- ----- RESID 252 (L): -0.032 ----- -2.181 -0.944 -0.359 ----- RESID 253 (L): 0.348 ----- -1.116 -2.017 -1.017 ----- RESID 254 (C): 3.943 ----- -0.337 -0.913 -1.174 ----- RESID 255 (W): -0.819 ----- 1.619 -1.475 0.224 ----- RESID 256 (L): 1.528 ----- 2.324 -3.034 1.083 ----- RESID 258 (Y): 4.779 ----- 1.630 -3.130 4.100 ----- RESID 259 (N): 4.911 ----- -4.146 -1.658 -0.821 ----- RESID 260 (L): 0.350 ----- -3.190 -2.155 -2.977 ----- RESID 261 (V): 0.128 ----- -2.561 -0.782 -2.136 ----- RESID 262 (L): 0.175 ----- -1.256 -2.641 -1.450 ----- RESID 263 (L): 5.851 ----- -3.140 -2.341 0.283 ----- RESID 264 (A): 0.185 ----- -5.042 -1.994 -1.999 ----- RESID 265 (D): 7.622 ----- -7.712 -0.803 ----- ----- RESID 266 (T): 7.318 ----- -1.519 -5.509 ----- ----- RESID 267 (L): 1.752 ----- -0.790 0.609 -2.151 ----- RESID 268 (M): 1.732 ----- 0.635 3.096 0.005 ----- RESID 269 (R): -2.731 ----- -0.879 -1.019 -0.136 ----- RESID 270 (T): 8.144 ----- 2.373 -0.260 ----- ----- RESID 271 (Q): 3.702 ----- 0.038 3.145 ----- ----- RESID 272 (V): 6.027 ----- 0.652 -0.096 4.102 ----- RESID 273 (I): -0.465 ----- 3.100 2.167 -3.283 ----- RESID 274 (Q): 3.490 ----- 0.896 -0.406 ----- ----- RESID 275 (E): 8.872 ----- 1.501 0.029 -0.998 ----- RESID 276 (S): -2.584 ----- ----- -1.137 -0.146 ----- RESID 277 (C): -1.399 ----- -1.705 -6.918 -1.006 ----- RESID 278 (E): -0.050 ----- -3.617 -0.906 0.062 ----- RESID 279 (R): 3.354 ----- -2.297 -2.763 -0.519 ----- RESID 280 (R): 6.472 ----- -1.131 -2.766 -2.089 ----- RESID 281 (N): 3.891 ----- -2.636 -3.666 -1.457 ----- RESID 282 (N): 2.096 ----- -1.041 -0.338 0.298 ----- RESID 283 (I): 1.644 ----- -1.077 1.225 -0.870 ----- RESID 284 (G): 5.128 ----- 1.827 -3.833 ----- ----- RESID 286 (A): 1.728 ----- -0.725 -0.639 -1.829 ----- RESID 287 (L): 8.864 ----- -2.264 -1.911 -1.149 ----- RESID 288 (D): -2.650 ----- -1.400 -1.018 ----- ----- RESID 289 (A): 2.667 ----- -2.051 -1.810 -1.294 ----- RESID 290 (T): 3.044 ----- 1.304 0.039 ----- ----- RESID 291 (E): -1.502 ----- -1.626 -1.293 0.452 ----- RESID 292 (I): 3.676 ----- -2.136 -0.213 -0.527 ----- RESID 293 (L): 2.136 ----- -4.268 -1.814 -1.346 ----- RESID 294 (G): 1.421 ----- -2.670 -1.748 ----- ----- RESID 295 (F): -0.461 ----- 0.764 0.669 ----- ----- RESID 296 (L): -0.353 ----- -2.313 -0.489 -1.344 ----- RESID 297 (H): 4.155 ----- 0.932 0.088 1.468 ----- RESID 298 (S): 10.917 ----- 3.757 4.832 0.352 ----- RESID 299 (C): 1.379 ----- 1.659 -0.615 -3.134 ----- RESID 300 (L): 0.164 ----- 1.137 -3.401 -0.423 ----- RESID 301 (N): 0.238 ----- 2.429 -4.468 -0.090 ----- RESID 302 (P): ----- ----- ----- -6.794 ----- ----- RESID 303 (I): 1.751 ----- -4.470 1.111 -1.256 ----- RESID 304 (I): 0.205 ----- -2.070 0.641 -1.461 ----- RESID 305 (Y): 1.040 ----- -2.632 -4.521 0.539 ----- RESID 306 (A): 2.031 ----- -7.210 -0.063 -1.640 ----- RESID 307 (F): 2.812 ----- -1.590 -1.232 1.348 ----- RESID 308 (I): 3.274 ----- -0.421 1.587 -1.559 ----- RESID 309 (G): 3.822 ----- 0.392 -3.789 ----- ----- RESID 310 (Q): 3.506 ----- -0.136 1.542 1.961 ----- RESID 311 (N): 1.095 ----- -1.099 0.333 1.208 ----- RESID 312 (F): 1.002 ----- -2.313 -2.728 -2.196 ----- RESID 313 (R): 3.212 ----- -3.576 -3.615 -0.669 ----- RESID 314 (H): 5.510 ----- -1.004 0.783 0.154 ----- RESID 315 (G): 1.268 ----- -1.670 0.274 ----- ----- RESID 316 (F): 2.762 ----- -1.139 -2.812 ----- ----- RESID 317 (L): 1.985 ----- -1.082 -1.515 -1.491 ----- RESID 318 (K): 3.180 ----- -1.501 -2.722 -1.202 ----- RESID 319 (I): 1.023 ----- -1.705 1.626 -1.437 ----- RESID 320 (L): 3.844 ----- -0.880 -1.261 -1.739 ----- RESID 321 (A): 3.054 ----- -1.879 0.864 -0.726 ----- RESID 322 (M): 4.313 ----- -3.948 -0.258 ----- ----- RESID 323 (H): 4.157 ----- -2.489 -1.332 1.238 ----- DATA CS_STAT_INFO N RMS: 3.733 ppm Count: 283 Average Difference: -1.964 +/- 3.181 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 2.630 ppm Count: 278 Average Difference: 1.349 +/- 2.262 ppm DATA CS_STAT_INFO CA RMS: 2.444 ppm Count: 287 Average Difference: 1.073 +/- 2.200 ppm DATA CS_STAT_INFO CB RMS: 2.512 ppm Count: 226 Average Difference: 0.535 +/- 2.459 ppm DATA CS_STAT_INFO HN RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm ############################################################################ For conformer 3: Atom Original Corrected SPARTA Difference RESID 30 (C): N 122.700 122.700 126.639 -3.939 RESID 30 (C): C 177.500 177.500 174.437 3.063 RESID 30 (C): CA 56.000 56.000 57.416 -1.416 RESID 30 (C): CB 40.300 40.300 24.945 15.355 RESID 31 (M): N 117.900 117.900 120.017 -2.117 RESID 31 (M): C 173.200 173.200 176.889 -3.689 RESID 31 (M): CA 58.150 58.150 55.321 2.829 RESID 31 (M): CB 31.100 31.100 32.474 -1.374 RESID 32 (L): N 125.300 125.300 119.080 6.220 RESID 32 (L): C 173.500 173.500 178.002 -4.502 RESID 32 (L): CA 53.780 53.780 56.245 -2.465 RESID 32 (L): CB 39.660 39.660 42.071 -2.411 RESID 33 (E): N 129.900 129.900 118.463 11.437 RESID 33 (E): C 173.200 173.200 175.902 -2.702 RESID 33 (E): CA 55.900 55.900 55.828 0.072 RESID 33 (E): CB 31.000 31.000 30.788 0.212 RESID 34 (T): N 113.900 113.900 114.484 -0.584 RESID 34 (T): C 172.500 172.500 174.894 -2.394 RESID 34 (T): CA 63.500 63.500 61.401 2.099 RESID 34 (T): CB 67.200 67.200 70.229 -3.029 RESID 35 (E): N 125.300 125.300 124.130 1.170 RESID 35 (E): C 169.500 169.500 177.534 -8.034 RESID 35 (E): CA 55.840 55.840 58.429 -2.589 RESID 35 (E): CB 28.120 28.120 29.687 -1.567 RESID 36 (T): N 106.700 106.700 112.169 -5.469 RESID 36 (T): C 174.200 174.200 175.132 -0.932 RESID 36 (T): CA 65.000 65.000 63.631 1.369 RESID 37 (L): N 120.100 120.100 118.846 1.254 RESID 37 (L): C 177.500 177.500 177.275 0.225 RESID 37 (L): CA 56.400 56.400 54.696 1.704 RESID 37 (L): CB 39.800 39.800 40.749 -0.950 RESID 38 (N): N 118.400 118.400 118.071 0.329 RESID 38 (N): C 177.600 177.600 177.104 0.496 RESID 38 (N): CA 55.900 55.900 55.773 0.127 RESID 38 (N): CB 40.870 40.870 38.263 2.607 RESID 39 (K): N 121.500 121.500 121.916 -0.416 RESID 39 (K): C 174.300 174.300 178.977 -4.677 RESID 39 (K): CA 56.700 56.700 59.118 -2.418 RESID 39 (K): CB 29.900 29.900 32.023 -2.123 RESID 40 (Y): N 120.100 120.100 120.148 -0.048 RESID 40 (Y): C 176.800 176.800 178.029 -1.229 RESID 40 (Y): CA 58.200 58.200 60.067 -1.867 RESID 40 (Y): CB 40.000 40.000 38.643 1.357 RESID 41 (V): N 120.700 120.700 116.809 3.891 RESID 41 (V): C 176.000 176.000 177.104 -1.104 RESID 41 (V): CA 65.000 65.000 66.057 -1.057 RESID 41 (V): CB 29.750 29.750 31.314 -1.564 RESID 42 (V): N 121.200 121.200 120.761 0.439 RESID 42 (V): C 176.200 176.200 177.114 -0.914 RESID 42 (V): CA 65.560 65.560 66.180 -0.620 RESID 42 (V): CB 29.700 29.700 31.667 -1.967 RESID 43 (I): N 120.900 120.900 119.424 1.476 RESID 43 (I): C 177.000 177.000 177.814 -0.814 RESID 43 (I): CA 64.300 64.300 65.024 -0.724 RESID 43 (I): CB 36.600 36.600 37.229 -0.629 RESID 44 (I): N 120.500 120.500 120.332 0.168 RESID 44 (I): C 175.000 175.000 177.761 -2.761 RESID 44 (I): CA 59.700 59.700 63.411 -3.711 RESID 44 (I): CB 37.000 37.000 36.182 0.818 RESID 45 (A): N 121.600 121.600 123.032 -1.432 RESID 45 (A): C 175.700 175.700 179.671 -3.971 RESID 45 (A): CA 52.700 52.700 55.431 -2.731 RESID 45 (A): CB 16.600 16.600 17.972 -1.372 RESID 46 (Y): N 120.400 120.400 120.023 0.377 RESID 46 (Y): C 175.400 175.400 177.577 -2.177 RESID 46 (Y): CA 58.530 58.530 61.289 -2.759 RESID 46 (Y): CB 39.850 39.850 38.146 1.704 RESID 47 (A): N 124.700 124.700 123.071 1.629 RESID 47 (A): C 174.800 174.800 179.446 -4.646 RESID 47 (A): CA 53.800 53.800 55.592 -1.792 RESID 47 (A): CB 15.530 15.530 18.441 -2.911 RESID 48 (L): N 117.700 117.700 119.680 -1.980 RESID 48 (L): C 177.400 177.400 178.823 -1.423 RESID 48 (L): CA 56.860 56.860 57.585 -0.725 RESID 49 (V): N 118.400 118.400 120.346 -1.946 RESID 49 (V): C 181.100 181.100 178.424 2.676 RESID 49 (V): CA 67.800 67.800 66.482 1.318 RESID 49 (V): CB 29.900 29.900 31.406 -1.506 RESID 50 (F): N 124.700 124.700 118.505 6.195 RESID 50 (F): C 171.900 171.900 177.929 -6.029 RESID 50 (F): CA 61.600 61.600 59.867 1.733 RESID 50 (F): CB 42.620 42.620 38.320 4.300 RESID 51 (L): N 125.600 125.600 122.687 2.913 RESID 51 (L): C 176.600 176.600 177.804 -1.204 RESID 51 (L): CA 55.850 55.850 58.945 -3.095 RESID 51 (L): CB 40.220 40.220 41.887 -1.667 RESID 52 (L): N 122.800 122.800 116.901 5.899 RESID 52 (L): C 173.700 173.700 178.825 -5.125 RESID 52 (L): CA 56.300 56.300 58.862 -2.562 RESID 52 (L): CB 39.200 39.200 40.722 -1.522 RESID 53 (S): N 118.700 118.700 114.524 4.176 RESID 53 (S): C 173.000 173.000 176.830 -3.830 RESID 53 (S): CA 58.200 58.200 60.843 -2.643 RESID 54 (L): N 123.500 123.500 124.121 -0.621 RESID 54 (L): C 176.800 176.800 177.826 -1.026 RESID 54 (L): CA 56.400 56.400 57.752 -1.352 RESID 54 (L): CB 40.000 40.000 41.200 -1.200 RESID 55 (L): N 124.600 124.600 115.359 9.241 RESID 55 (L): C 177.200 177.200 178.827 -1.627 RESID 55 (L): CA 56.000 56.000 57.470 -1.470 RESID 55 (L): CB 40.000 40.000 40.606 -0.606 RESID 56 (G): N 109.600 109.600 106.420 3.180 RESID 56 (G): C 174.800 174.800 175.473 -0.673 RESID 56 (G): CA 47.400 47.400 47.008 0.392 RESID 57 (N): N 118.200 118.200 119.653 -1.453 RESID 57 (N): C 176.900 176.900 177.413 -0.513 RESID 57 (N): CA 55.700 55.700 56.197 -0.497 RESID 57 (N): CB 39.300 39.300 37.845 1.455 RESID 58 (S): N 111.300 111.300 115.531 -4.231 RESID 58 (S): C 180.100 180.100 176.605 3.495 RESID 58 (S): CA 59.900 59.900 61.615 -1.716 RESID 58 (S): CB 63.300 63.300 62.834 0.466 RESID 59 (L): N 121.100 121.100 121.468 -0.368 RESID 59 (L): C 177.400 177.400 178.783 -1.383 RESID 59 (L): CA 56.150 56.150 57.841 -1.691 RESID 59 (L): CB 41.000 41.000 41.297 -0.297 RESID 60 (V): N 119.300 119.300 118.083 1.217 RESID 60 (V): C 175.200 175.200 178.165 -2.965 RESID 60 (V): CA 65.400 65.400 65.897 -0.497 RESID 60 (V): CB 29.500 29.500 30.850 -1.350 RESID 61 (M): N 118.900 118.900 120.221 -1.321 RESID 61 (M): C 176.500 176.500 178.375 -1.875 RESID 61 (M): CA 55.840 55.840 59.308 -3.468 RESID 62 (L): N 122.100 122.100 119.509 2.591 RESID 62 (L): C 177.700 177.700 179.053 -1.353 RESID 62 (L): CA 56.160 56.160 58.107 -1.947 RESID 62 (L): CB 39.110 39.110 41.331 -2.221 RESID 63 (V): N 121.100 121.100 120.120 0.980 RESID 63 (V): CA 64.850 64.850 66.758 -1.908 RESID 63 (V): CB 29.600 29.600 31.447 -1.847 RESID 64 (I): N 121.000 121.000 117.247 3.753 RESID 64 (I): C 175.100 175.100 178.680 -3.580 RESID 64 (I): CA 64.400 64.400 63.200 1.200 RESID 64 (I): CB 36.600 36.600 36.322 0.278 RESID 65 (L): N 119.000 119.000 121.061 -2.061 RESID 65 (L): C 173.800 173.800 177.683 -3.883 RESID 65 (L): CA 56.200 56.200 57.719 -1.519 RESID 65 (L): CB 39.300 39.300 41.697 -2.397 RESID 66 (Y): N 120.200 120.200 114.621 5.579 RESID 66 (Y): C 176.700 176.700 175.076 1.624 RESID 66 (Y): CA 58.340 58.340 58.227 0.113 RESID 66 (Y): CB 40.000 40.000 38.448 1.552 RESID 67 (S): N 116.700 116.700 115.106 1.594 RESID 67 (S): C 175.400 175.400 175.651 -0.251 RESID 67 (S): CA 60.000 60.000 56.775 3.225 RESID 67 (S): CB 62.000 62.000 63.318 -1.318 RESID 68 (R): N 121.500 121.500 128.358 -6.858 RESID 68 (R): C 175.300 175.300 176.803 -1.503 RESID 68 (R): CA 60.400 60.400 58.663 1.737 RESID 69 (V): N 120.600 120.600 118.553 2.047 RESID 69 (V): C 174.600 174.600 175.430 -0.830 RESID 69 (V): CA 65.800 65.800 62.016 3.784 RESID 69 (V): CB 29.850 29.850 31.519 -1.669 RESID 70 (G): N 110.700 110.700 107.722 2.978 RESID 70 (G): C 174.400 174.400 173.656 0.744 RESID 70 (G): CA 41.700 41.700 44.613 -2.913 RESID 71 (R): N 122.900 122.900 118.765 4.135 RESID 71 (R): C 176.500 176.500 175.087 1.413 RESID 71 (R): CA 56.800 56.800 55.219 1.581 RESID 71 (R): CB 29.900 29.900 29.203 0.697 RESID 72 (S): N 117.300 117.300 115.582 1.718 RESID 72 (S): C 174.300 174.300 175.602 -1.302 RESID 72 (S): CA 57.800 57.800 56.377 1.423 RESID 73 (V): N 120.400 120.400 116.775 3.625 RESID 73 (V): C 175.700 175.700 177.629 -1.929 RESID 73 (V): CA 66.100 66.100 64.232 1.868 RESID 73 (V): CB 29.650 29.650 31.425 -1.776 RESID 74 (T): N 117.300 117.300 108.797 8.503 RESID 74 (T): C 175.800 175.800 175.757 0.043 RESID 74 (T): CA 64.000 64.000 64.267 -0.267 RESID 75 (D): N 122.900 122.900 123.246 -0.346 RESID 75 (D): C 176.500 176.500 178.611 -2.111 RESID 75 (D): CA 56.000 56.000 57.150 -1.149 RESID 75 (D): CB 40.300 40.300 39.993 0.307 RESID 76 (V): N 120.800 120.800 120.249 0.551 RESID 76 (V): C 175.600 175.600 177.628 -2.028 RESID 76 (V): CA 66.400 66.400 67.177 -0.776 RESID 76 (V): CB 30.400 30.400 31.555 -1.155 RESID 77 (Y): N 123.800 123.800 120.223 3.577 RESID 77 (Y): C 175.700 175.700 177.676 -1.976 RESID 77 (Y): CA 60.560 60.560 61.586 -1.026 RESID 77 (Y): CB 37.000 37.000 38.356 -1.356 RESID 78 (L): N 121.000 121.000 120.916 0.084 RESID 78 (L): C 176.500 176.500 178.629 -2.129 RESID 78 (L): CA 55.900 55.900 57.995 -2.095 RESID 78 (L): CB 40.000 40.000 41.032 -1.032 RESID 79 (L): N 126.200 126.200 119.746 6.454 RESID 79 (L): C 176.000 176.000 179.132 -3.132 RESID 79 (L): CA 55.800 55.800 58.200 -2.400 RESID 79 (L): CB 40.240 40.240 40.565 -0.325 RESID 80 (N): N 121.300 121.300 118.144 3.156 RESID 80 (N): C 178.100 178.100 177.757 0.343 RESID 80 (N): CA 56.500 56.500 56.054 0.446 RESID 80 (N): CB 39.100 39.100 38.551 0.549 RESID 81 (L): N 124.100 124.100 121.046 3.054 RESID 81 (L): C 176.300 176.300 178.666 -2.366 RESID 81 (L): CA 56.000 56.000 57.645 -1.645 RESID 81 (L): CB 38.100 38.100 40.657 -2.557 RESID 82 (A): N 124.700 124.700 121.850 2.850 RESID 82 (A): C 177.500 177.500 179.913 -2.413 RESID 82 (A): CA 53.400 53.400 54.911 -1.511 RESID 82 (A): CB 18.300 18.300 18.352 -0.052 RESID 83 (L): N 121.400 121.400 120.115 1.285 RESID 83 (L): C 176.500 176.500 178.695 -2.195 RESID 83 (L): CA 55.900 55.900 57.964 -2.064 RESID 83 (L): CB 40.200 40.200 41.901 -1.702 RESID 84 (A): N 123.900 123.900 120.934 2.966 RESID 84 (A): C 176.600 176.600 179.456 -2.856 RESID 84 (A): CA 54.400 54.400 55.430 -1.030 RESID 84 (A): CB 16.600 16.600 17.976 -1.376 RESID 85 (D): N 120.300 120.300 119.652 0.648 RESID 85 (D): C 178.400 178.400 178.076 0.324 RESID 85 (D): CA 56.330 56.330 57.523 -1.194 RESID 85 (D): CB 39.850 39.850 41.229 -1.379 RESID 86 (L): N 122.700 122.700 121.887 0.813 RESID 86 (L): C 173.600 173.600 178.756 -5.156 RESID 86 (L): CA 56.300 56.300 58.200 -1.900 RESID 86 (L): CB 39.500 39.500 41.424 -1.924 RESID 87 (L): N 122.000 122.000 120.049 1.951 RESID 87 (L): C 175.600 175.600 178.896 -3.296 RESID 87 (L): CA 56.150 56.150 58.333 -2.183 RESID 87 (L): CB 40.000 40.000 41.774 -1.774 RESID 88 (F): N 119.200 119.200 119.115 0.085 RESID 88 (F): C 173.900 173.900 178.790 -4.890 RESID 88 (F): CA 55.900 55.900 61.244 -5.344 RESID 88 (F): CB 40.400 40.400 38.470 1.930 RESID 89 (A): N 126.600 126.600 122.402 4.198 RESID 89 (A): C 172.900 172.900 179.925 -7.025 RESID 89 (A): CA 53.100 53.100 55.025 -1.925 RESID 89 (A): CB 17.000 17.000 18.189 -1.188 RESID 90 (L): N 119.700 119.700 118.123 1.577 RESID 90 (L): C 172.500 172.500 177.643 -5.143 RESID 90 (L): CA 56.500 56.500 57.879 -1.379 RESID 90 (L): CB 39.900 39.900 42.182 -2.282 RESID 91 (T): N 115.300 115.300 109.623 5.677 RESID 91 (T): C 176.400 176.400 176.035 0.365 RESID 91 (T): CA 60.000 60.000 63.610 -3.610 RESID 91 (T): CB 69.500 69.500 69.026 0.474 RESID 92 (L): N 123.000 123.000 124.062 -1.062 RESID 92 (L): C 175.400 175.400 175.692 -0.292 RESID 92 (L): CA 55.600 55.600 60.108 -4.508 RESID 92 (L): CB 40.800 40.800 39.324 1.476 RESID 94 (I): N 121.000 121.000 115.774 5.226 RESID 94 (I): C 176.800 176.800 178.055 -1.255 RESID 94 (I): CA 64.300 64.300 64.539 -0.239 RESID 94 (I): CB 36.600 36.600 37.522 -0.922 RESID 95 (W): N 120.500 120.500 122.577 -2.077 RESID 95 (W): C 176.700 176.700 177.471 -0.771 RESID 95 (W): CA 58.100 58.100 60.286 -2.186 RESID 95 (W): CB 29.000 29.000 28.970 0.030 RESID 96 (A): N 126.300 126.300 120.614 5.686 RESID 96 (A): C 178.300 178.300 179.103 -0.803 RESID 96 (A): CA 52.400 52.400 54.538 -2.139 RESID 96 (A): CB 20.400 20.400 17.808 2.592 RESID 97 (A): N 123.200 123.200 120.089 3.111 RESID 97 (A): C 178.000 178.000 179.614 -1.614 RESID 97 (A): CA 53.600 53.600 55.121 -1.521 RESID 97 (A): CB 16.700 16.700 17.993 -1.293 RESID 98 (S): N 109.400 109.400 110.652 -1.252 RESID 98 (S): CA 63.000 63.000 60.310 2.689 RESID 99 (K): N 121.500 121.500 120.591 0.909 RESID 99 (K): C 177.300 177.300 178.500 -1.200 RESID 99 (K): CA 56.100 56.100 57.370 -1.270 RESID 99 (K): CB 30.700 30.700 33.092 -2.392 RESID 100 (V): N 121.200 121.200 120.570 0.630 RESID 100 (V): C 176.300 176.300 177.581 -1.281 RESID 100 (V): CA 64.900 64.900 65.638 -0.738 RESID 100 (V): CB 29.850 29.850 31.802 -1.952 RESID 101 (N): N 116.700 116.700 117.183 -0.483 RESID 101 (N): C 173.800 173.800 176.805 -3.005 RESID 101 (N): CA 52.300 52.300 54.252 -1.952 RESID 101 (N): CB 39.700 39.700 39.155 0.545 RESID 102 (G): N 109.500 109.500 106.733 2.767 RESID 102 (G): C 174.600 174.600 173.049 1.551 RESID 102 (G): CA 45.900 45.900 44.754 1.146 RESID 103 (W): N 117.700 117.700 120.091 -2.391 RESID 103 (W): C 173.900 173.900 173.726 0.174 RESID 103 (W): CA 58.000 58.000 55.366 2.634 RESID 103 (W): CB 31.000 31.000 31.518 -0.518 RESID 104 (I): N 124.300 124.300 113.820 10.480 RESID 104 (I): C 175.700 175.700 173.187 2.513 RESID 104 (I): CA 60.400 60.400 59.333 1.067 RESID 104 (I): CB 35.600 35.600 41.297 -5.697 RESID 105 (F): N 121.100 121.100 117.197 3.903 RESID 105 (F): C 177.200 177.200 174.181 3.019 RESID 105 (F): CA 55.700 55.700 57.230 -1.530 RESID 105 (F): CB 40.500 40.500 40.811 -0.311 RESID 106 (G): N 110.000 110.000 110.466 -0.466 RESID 106 (G): C 174.500 174.500 172.678 1.822 RESID 106 (G): CA 41.900 41.900 43.744 -1.844 RESID 107 (T): N 114.700 114.700 113.464 1.236 RESID 107 (T): C 173.500 173.500 174.927 -1.427 RESID 107 (T): CA 60.500 60.500 60.475 0.025 RESID 107 (T): CB 69.700 69.700 68.996 0.704 RESID 108 (F): N 124.200 124.200 120.971 3.229 RESID 108 (F): C 173.500 173.500 177.010 -3.510 RESID 108 (F): CA 60.000 60.000 59.994 0.006 RESID 108 (F): CB 37.030 37.030 37.367 -0.337 RESID 109 (L): N 123.200 123.200 119.506 3.694 RESID 109 (L): C 176.000 176.000 178.596 -2.596 RESID 109 (L): CA 55.500 55.500 57.700 -2.200 RESID 109 (L): CB 40.900 40.900 40.177 0.723 RESID 110 (C): N 117.600 117.600 118.466 -0.866 RESID 110 (C): C 176.700 176.700 177.175 -0.475 RESID 110 (C): CA 55.700 55.700 62.034 -6.334 RESID 110 (C): CB 39.400 39.400 26.121 13.279 RESID 111 (K): N 121.600 121.600 119.584 2.016 RESID 111 (K): C 176.400 176.400 177.133 -0.733 RESID 111 (K): CA 57.300 57.300 59.025 -1.725 RESID 111 (K): CB 30.000 30.000 32.335 -2.335 RESID 112 (V): N 123.600 123.600 117.303 6.297 RESID 112 (V): C 174.100 174.100 177.205 -3.105 RESID 112 (V): CA 68.000 68.000 64.484 3.516 RESID 113 (V): N 127.800 127.800 120.189 7.611 RESID 113 (V): C 169.600 169.600 177.691 -8.091 RESID 113 (V): CA 68.800 68.800 67.096 1.704 RESID 114 (S): N 117.500 117.500 115.078 2.422 RESID 114 (S): C 175.200 175.200 176.184 -0.984 RESID 114 (S): CA 60.200 60.200 61.049 -0.849 RESID 114 (S): CB 61.890 61.890 62.704 -0.814 RESID 115 (L): N 120.000 120.000 123.566 -3.566 RESID 115 (L): C 173.700 173.700 178.432 -4.732 RESID 115 (L): CA 55.900 55.900 58.078 -2.178 RESID 115 (L): CB 40.600 40.600 41.940 -1.340 RESID 116 (L): N 126.000 126.000 114.890 11.110 RESID 116 (L): C 177.800 177.800 178.596 -0.796 RESID 116 (L): CA 55.900 55.900 57.832 -1.932 RESID 116 (L): CB 40.250 40.250 40.848 -0.598 RESID 117 (K): N 120.900 120.900 120.997 -0.097 RESID 117 (K): C 173.200 173.200 178.454 -5.254 RESID 117 (K): CA 57.000 57.000 60.074 -3.074 RESID 117 (K): CB 29.800 29.800 32.219 -2.419 RESID 118 (E): N 118.900 118.900 117.987 0.913 RESID 118 (E): C 177.100 177.100 178.979 -1.879 RESID 118 (E): CA 55.300 55.300 59.200 -3.900 RESID 118 (E): CB 28.000 28.000 29.078 -1.077 RESID 119 (V): N 123.400 123.400 118.431 4.969 RESID 119 (V): C 173.600 173.600 177.252 -3.652 RESID 119 (V): CA 65.330 65.330 65.955 -0.625 RESID 119 (V): CB 29.250 29.250 31.430 -2.180 RESID 120 (N): N 120.300 120.300 118.695 1.605 RESID 120 (N): C 174.500 174.500 177.516 -3.016 RESID 120 (N): CA 55.800 55.800 55.936 -0.136 RESID 120 (N): CB 38.900 38.900 38.125 0.775 RESID 121 (F): N 123.600 123.600 120.480 3.120 RESID 121 (F): C 175.500 175.500 178.176 -2.676 RESID 121 (F): CA 60.500 60.500 61.975 -1.475 RESID 121 (F): CB 37.000 37.000 38.666 -1.665 RESID 122 (Y): N 120.500 120.500 116.651 3.849 RESID 122 (Y): C 176.100 176.100 178.144 -2.044 RESID 122 (Y): CA 60.900 60.900 60.050 0.850 RESID 122 (Y): CB 37.300 37.300 37.642 -0.342 RESID 123 (S): N 124.600 124.600 117.077 7.523 RESID 123 (S): C 173.900 173.900 176.820 -2.920 RESID 123 (S): CA 57.740 57.740 62.357 -4.617 RESID 123 (S): CB 59.870 59.870 62.887 -3.017 RESID 124 (G): N 107.700 107.700 109.575 -1.875 RESID 124 (G): C 171.000 171.000 176.171 -5.171 RESID 124 (G): CA 42.750 42.750 47.431 -4.681 RESID 125 (I): N 119.500 119.500 122.691 -3.191 RESID 125 (I): C 175.200 175.200 178.279 -3.079 RESID 125 (I): CA 62.950 62.950 64.622 -1.672 RESID 125 (I): CB 36.960 36.960 38.371 -1.411 RESID 126 (L): N 122.300 122.300 119.649 2.651 RESID 126 (L): C 173.600 173.600 179.050 -5.450 RESID 126 (L): CA 56.250 56.250 57.829 -1.579 RESID 127 (L): N 126.500 126.500 120.777 5.723 RESID 127 (L): C 176.100 176.100 178.533 -2.433 RESID 127 (L): CA 55.220 55.220 58.455 -3.235 RESID 127 (L): CB 41.670 41.670 42.070 -0.400 RESID 128 (L): N 121.000 121.000 117.667 3.333 RESID 128 (L): C 175.600 175.600 178.591 -2.991 RESID 128 (L): CA 57.170 57.170 57.571 -0.401 RESID 128 (L): CB 40.300 40.300 40.563 -0.264 RESID 129 (A): N 125.800 125.800 123.531 2.269 RESID 129 (A): C 176.000 176.000 179.902 -3.902 RESID 129 (A): CA 52.970 52.970 55.001 -2.031 RESID 129 (A): CB 17.000 17.000 17.734 -0.734 RESID 130 (C): N 120.300 120.300 116.984 3.316 RESID 130 (C): C 177.000 177.000 177.222 -0.222 RESID 130 (C): CA 62.070 62.070 63.577 -1.507 RESID 130 (C): CB 29.880 29.880 27.295 2.585 RESID 131 (I): N 121.300 121.300 122.768 -1.468 RESID 131 (I): C 174.000 174.000 177.862 -3.862 RESID 131 (I): CA 63.080 63.080 66.146 -3.066 RESID 131 (I): CB 36.220 36.220 37.646 -1.426 RESID 132 (S): N 117.700 117.700 115.960 1.740 RESID 132 (S): C 175.100 175.100 176.648 -1.548 RESID 132 (S): CA 63.990 63.990 62.222 1.768 RESID 132 (S): CB 66.120 66.120 62.487 3.633 RESID 133 (V): N 129.800 129.800 123.304 6.496 RESID 133 (V): C 177.700 177.700 177.569 0.131 RESID 133 (V): CA 68.050 68.050 67.105 0.945 RESID 134 (D): N 124.000 124.000 119.516 4.484 RESID 134 (D): C 174.100 174.100 179.068 -4.968 RESID 134 (D): CA 57.500 57.500 57.183 0.317 RESID 134 (D): CB 40.400 40.400 40.213 0.187 RESID 135 (R): N 124.200 124.200 120.091 4.109 RESID 135 (R): C 174.400 174.400 178.666 -4.266 RESID 135 (R): CA 58.420 58.420 59.090 -0.670 RESID 135 (R): CB 30.700 30.700 30.119 0.581 RESID 136 (Y): N 121.000 121.000 120.316 0.684 RESID 136 (Y): C 176.400 176.400 178.005 -1.605 RESID 136 (Y): CA 60.250 60.250 60.844 -0.594 RESID 136 (Y): CB 37.350 37.350 37.890 -0.540 RESID 137 (L): N 121.400 121.400 117.612 3.788 RESID 137 (L): C 173.700 173.700 177.583 -3.883 RESID 137 (L): CA 54.870 54.870 56.486 -1.616 RESID 137 (L): CB 41.670 41.670 41.969 -0.299 RESID 138 (A): N 125.800 125.800 119.661 6.139 RESID 138 (A): C 176.100 176.100 177.736 -1.636 RESID 138 (A): CA 52.860 52.860 53.758 -0.898 RESID 138 (A): CB 17.270 17.270 19.280 -2.010 RESID 139 (I): N 120.000 120.000 116.230 3.770 RESID 139 (I): C 175.700 175.700 174.951 0.749 RESID 139 (I): CA 60.000 60.000 61.547 -1.547 RESID 139 (I): CB 30.290 30.290 39.393 -9.103 RESID 140 (V): N 118.700 118.700 118.481 0.219 RESID 140 (V): C 173.900 173.900 175.231 -1.331 RESID 140 (V): CA 61.920 61.920 61.237 0.682 RESID 140 (V): CB 30.900 30.900 32.259 -1.359 RESID 141 (H): N 117.200 117.200 122.781 -5.581 RESID 141 (H): C 177.900 177.900 173.866 4.034 RESID 141 (H): CA 58.860 58.860 56.186 2.674 RESID 141 (H): CB 30.090 30.090 29.817 0.273 RESID 142 (A): N 121.200 121.200 125.120 -3.920 RESID 142 (A): C 174.600 174.600 176.492 -1.892 RESID 142 (A): CA 53.170 53.170 52.054 1.116 RESID 142 (A): CB 16.580 16.580 18.602 -2.022 RESID 143 (T): N 118.000 118.000 118.714 -0.714 RESID 143 (T): C 177.000 177.000 174.717 2.283 RESID 143 (T): CA 62.520 62.520 65.135 -2.615 RESID 143 (T): CB 64.330 64.330 68.270 -3.940 RESID 144 (R): CA 57.250 57.250 56.705 0.545 RESID 144 (R): CB 30.340 30.340 32.250 -1.910 RESID 145 (T): N 119.700 119.700 109.282 10.418 RESID 145 (T): C 177.000 177.000 173.506 3.494 RESID 145 (T): CA 62.370 62.370 62.423 -0.053 RESID 145 (T): CB 64.120 64.120 69.379 -5.259 RESID 146 (L): N 127.900 127.900 122.813 5.087 RESID 146 (L): C 173.200 173.200 175.385 -2.185 RESID 146 (L): CA 55.790 55.790 54.557 1.233 RESID 146 (L): CB 40.570 40.570 40.802 -0.232 RESID 147 (T): N 124.000 124.000 115.293 8.707 RESID 147 (T): C 177.700 177.700 173.952 3.748 RESID 147 (T): CA 62.050 62.050 61.300 0.750 RESID 147 (T): CB 63.770 63.770 71.232 -7.462 RESID 148 (Q): N 122.800 122.800 121.474 1.326 RESID 148 (Q): C 176.700 176.700 177.090 -0.390 RESID 148 (Q): CA 53.470 53.470 56.394 -2.924 RESID 148 (Q): CB 29.310 29.310 29.654 -0.344 RESID 149 (K): N 120.900 120.900 122.750 -1.850 RESID 149 (K): C 175.900 175.900 178.913 -3.013 RESID 149 (K): CA 59.440 59.440 59.250 0.190 RESID 150 (R): N 122.200 122.200 119.264 2.936 RESID 150 (R): C 177.500 177.500 178.387 -0.887 RESID 150 (R): CA 56.700 56.700 59.737 -3.037 RESID 150 (R): CB 31.150 31.150 29.561 1.589 RESID 151 (H): N 117.300 117.300 117.070 0.230 RESID 151 (H): C 177.800 177.800 177.099 0.701 RESID 151 (H): CA 59.130 59.130 59.131 -0.001 RESID 151 (H): CB 29.400 29.400 28.921 0.479 RESID 152 (L): N 120.400 120.400 119.682 0.718 RESID 152 (L): C 176.800 176.800 178.110 -1.310 RESID 152 (L): CA 56.150 56.150 57.633 -1.482 RESID 152 (L): CB 39.810 39.810 41.674 -1.864 RESID 153 (V): N 121.500 121.500 115.623 5.877 RESID 153 (V): C 174.300 174.300 177.760 -3.460 RESID 153 (V): CA 61.240 61.240 65.960 -4.721 RESID 154 (K): N 117.000 117.000 121.166 -4.166 RESID 154 (K): C 175.300 175.300 178.655 -3.355 RESID 154 (K): CA 59.000 59.000 58.832 0.168 RESID 155 (F): N 121.100 121.100 120.697 0.403 RESID 155 (F): C 176.600 176.600 177.391 -0.791 RESID 155 (F): CA 61.200 61.200 61.372 -0.172 RESID 156 (V): N 123.800 123.800 119.992 3.808 RESID 156 (V): C 177.700 177.700 177.507 0.193 RESID 156 (V): CA 62.170 62.170 67.384 -5.214 RESID 156 (V): CB 33.400 33.400 31.567 1.833 RESID 157 (C): CA 58.260 58.260 64.178 -5.918 RESID 158 (L): N 122.900 122.900 121.434 1.466 RESID 158 (L): C 175.500 175.500 178.596 -3.096 RESID 158 (L): CA 55.750 55.750 58.229 -2.479 RESID 159 (G): N 104.900 104.900 106.136 -1.236 RESID 159 (G): C 176.200 176.200 175.863 0.337 RESID 159 (G): CA 44.750 44.750 47.135 -2.385 RESID 160 (C): N 116.700 116.700 121.227 -4.527 RESID 160 (C): C 181.100 181.100 176.898 4.202 RESID 160 (C): CA 59.000 59.000 61.516 -2.516 RESID 160 (C): CB 29.130 29.130 26.497 2.633 RESID 161 (W): N 119.000 119.000 121.383 -2.383 RESID 161 (W): C 174.900 174.900 179.122 -4.222 RESID 161 (W): CA 55.880 55.880 60.866 -4.986 RESID 162 (G): N 108.300 108.300 106.966 1.334 RESID 162 (G): C 173.600 173.600 176.000 -2.400 RESID 162 (G): CA 45.100 45.100 47.191 -2.091 RESID 163 (L): N 120.200 120.200 122.882 -2.682 RESID 163 (L): C 173.500 173.500 178.780 -5.280 RESID 163 (L): CA 55.800 55.800 57.342 -1.542 RESID 163 (L): CB 39.850 39.850 40.994 -1.144 RESID 164 (S): N 117.200 117.200 114.812 2.388 RESID 164 (S): C 175.000 175.000 176.880 -1.880 RESID 164 (S): CA 55.600 55.600 61.798 -6.198 RESID 164 (S): CB 65.660 65.660 63.023 2.637 RESID 165 (M): N 121.200 121.200 122.397 -1.197 RESID 165 (M): C 175.500 175.500 177.403 -1.903 RESID 165 (M): CA 57.600 57.600 59.655 -2.055 RESID 165 (M): CB 30.000 30.000 32.705 -2.705 RESID 166 (N): N 120.200 120.200 117.889 2.311 RESID 166 (N): C 176.500 176.500 177.807 -1.307 RESID 166 (N): CA 56.080 56.080 55.642 0.438 RESID 166 (N): CB 38.940 38.940 38.337 0.603 RESID 167 (L): N 120.800 120.800 119.887 0.913 RESID 167 (L): C 177.200 177.200 177.457 -0.257 RESID 167 (L): CA 64.900 64.900 57.366 7.534 RESID 167 (L): CB 36.400 36.400 42.267 -5.867 RESID 168 (S): N 119.400 119.400 113.411 5.989 RESID 168 (S): C 174.100 174.100 176.091 -1.991 RESID 168 (S): CA 55.700 55.700 59.938 -4.238 RESID 168 (S): CB 57.600 57.600 63.994 -6.394 RESID 169 (L): N 122.900 122.900 124.079 -1.179 RESID 169 (L): C 177.500 177.500 175.352 2.148 RESID 169 (L): CA 56.460 56.460 59.824 -3.364 RESID 169 (L): CB 39.200 39.200 39.791 -0.591 RESID 171 (F): N 118.600 118.600 117.645 0.955 RESID 171 (F): C 173.600 173.600 177.053 -3.453 RESID 171 (F): CA 61.700 61.700 60.582 1.118 RESID 172 (F): N 116.300 116.300 117.434 -1.134 RESID 172 (F): C 174.200 174.200 177.305 -3.105 RESID 172 (F): CA 59.500 59.500 60.904 -1.404 RESID 172 (F): CB 42.000 42.000 38.536 3.464 RESID 173 (L): N 120.400 120.400 118.882 1.518 RESID 173 (L): C 177.300 177.300 177.978 -0.678 RESID 173 (L): CA 54.730 54.730 57.947 -3.217 RESID 173 (L): CB 37.230 37.230 43.073 -5.843 RESID 174 (F): N 121.200 121.200 113.594 7.606 RESID 174 (F): C 177.000 177.000 174.402 2.598 RESID 174 (F): CA 59.000 59.000 57.792 1.208 RESID 174 (F): CB 43.220 43.220 42.114 1.105 RESID 175 (R): N 118.500 118.500 120.644 -2.144 RESID 175 (R): C 178.400 178.400 176.663 1.737 RESID 175 (R): CA 56.200 56.200 56.653 -0.453 RESID 176 (Q): N 122.100 122.100 119.623 2.477 RESID 176 (Q): C 178.000 178.000 173.620 4.380 RESID 176 (Q): CA 56.200 56.200 57.795 -1.595 RESID 177 (A): N 123.200 123.200 118.150 5.050 RESID 177 (A): C 176.900 176.900 175.015 1.885 RESID 177 (A): CA 54.300 54.300 51.483 2.817 RESID 177 (A): CB 16.870 16.870 20.358 -3.488 RESID 178 (Y): N 120.700 120.700 116.236 4.464 RESID 178 (Y): C 174.800 174.800 175.074 -0.274 RESID 178 (Y): CA 56.600 56.600 55.930 0.670 RESID 178 (Y): CB 39.900 39.900 37.914 1.986 RESID 179 (H): N 119.600 119.600 119.728 -0.128 RESID 179 (H): C 176.600 176.600 174.284 2.316 RESID 179 (H): CA 58.220 58.220 53.953 4.268 RESID 179 (H): CB 31.560 31.560 30.433 1.127 RESID 181 (N): N 119.200 119.200 117.154 2.046 RESID 181 (N): C 172.500 172.500 174.316 -1.816 RESID 181 (N): CA 56.150 56.150 52.505 3.645 RESID 181 (N): CB 36.500 36.500 41.636 -5.136 RESID 182 (N): N 114.100 114.100 120.412 -6.312 RESID 182 (N): C 175.800 175.800 173.574 2.226 RESID 182 (N): CA 55.500 55.500 55.209 0.291 RESID 183 (S): N 117.200 117.200 115.551 1.649 RESID 183 (S): C 175.600 175.600 172.916 2.684 RESID 183 (S): CA 55.400 55.400 57.583 -2.183 RESID 183 (S): CB 63.800 63.800 63.662 0.138 RESID 184 (S): N 117.000 117.000 116.039 0.961 RESID 184 (S): C 175.000 175.000 172.178 2.822 RESID 184 (S): CA 55.500 55.500 56.451 -0.951 RESID 184 (S): CB 63.800 63.800 65.130 -1.330 RESID 186 (V): N 119.500 119.500 121.609 -2.109 RESID 186 (V): C 175.300 175.300 174.544 0.756 RESID 186 (V): CA 65.290 65.290 61.938 3.352 RESID 186 (V): CB 30.120 30.120 33.745 -3.625 RESID 187 (C): N 116.500 116.500 126.510 -10.010 RESID 187 (C): C 176.300 176.300 173.393 2.907 RESID 187 (C): CA 56.000 56.000 59.255 -3.255 RESID 187 (C): CB 40.000 40.000 28.867 11.133 RESID 188 (Y): N 121.300 121.300 123.866 -2.566 RESID 188 (Y): C 176.500 176.500 173.838 2.662 RESID 188 (Y): CA 55.860 55.860 56.186 -0.326 RESID 188 (Y): CB 40.240 40.240 40.688 -0.448 RESID 189 (E): N 122.000 122.000 119.521 2.479 RESID 189 (E): C 175.500 175.500 175.124 0.376 RESID 189 (E): CA 57.900 57.900 56.138 1.762 RESID 189 (E): CB 31.840 31.840 29.878 1.962 RESID 190 (V): N 123.500 123.500 120.686 2.814 RESID 190 (V): C 172.800 172.800 177.073 -4.273 RESID 190 (V): CA 65.670 65.670 62.832 2.838 RESID 190 (V): CB 29.200 29.200 32.531 -3.331 RESID 191 (L): N 129.900 129.900 126.836 3.064 RESID 191 (L): CA 55.500 55.500 56.502 -1.002 RESID 192 (G): N 107.500 107.500 102.658 4.842 RESID 192 (G): C 173.500 173.500 173.454 0.046 RESID 192 (G): CA 44.870 44.870 44.246 0.624 RESID 193 (N): N 116.600 116.600 116.452 0.148 RESID 193 (N): CA 52.800 52.800 54.677 -1.877 RESID 193 (N): CB 39.560 39.560 38.567 0.993 RESID 194 (D): N 123.100 123.100 118.602 4.498 RESID 194 (D): C 172.800 172.800 176.891 -4.091 RESID 194 (D): CA 53.900 53.900 55.169 -1.269 RESID 194 (D): CB 39.700 39.700 39.412 0.288 RESID 195 (T): N 118.800 118.800 111.120 7.680 RESID 195 (T): C 175.500 175.500 175.373 0.127 RESID 195 (T): CA 63.000 63.000 65.180 -2.180 RESID 196 (A): N 123.300 123.300 124.472 -1.172 RESID 196 (A): C 173.000 173.000 177.585 -4.585 RESID 196 (A): CA 53.800 53.800 54.186 -0.386 RESID 196 (A): CB 17.240 17.240 18.672 -1.432 RESID 197 (K): N 121.700 121.700 113.426 8.274 RESID 197 (K): C 175.000 175.000 175.282 -0.282 RESID 197 (K): CA 56.900 56.900 55.617 1.282 RESID 197 (K): CB 29.900 29.900 33.103 -3.203 RESID 198 (W): N 120.700 120.700 117.290 3.410 RESID 198 (W): C 177.600 177.600 177.047 0.553 RESID 198 (W): CA 59.300 59.300 57.822 1.478 RESID 198 (W): CB 29.700 29.700 25.771 3.929 RESID 199 (R): N 123.500 123.500 120.494 3.006 RESID 199 (R): C 178.100 178.100 178.116 -0.016 RESID 199 (R): CA 55.950 55.950 59.573 -3.623 RESID 199 (R): CB 31.060 31.060 29.837 1.223 RESID 200 (M): N 119.900 119.900 120.154 -0.254 RESID 200 (M): C 175.400 175.400 177.665 -2.265 RESID 200 (M): CA 58.100 58.100 58.666 -0.566 RESID 200 (M): CB 31.100 31.100 32.157 -1.057 RESID 201 (V): N 123.700 123.700 117.703 5.997 RESID 201 (V): C 174.900 174.900 177.987 -3.087 RESID 201 (V): CA 65.700 65.700 65.459 0.241 RESID 201 (V): CB 29.180 29.180 30.496 -1.316 RESID 202 (L): N 124.000 124.000 120.734 3.266 RESID 202 (L): C 172.700 172.700 178.456 -5.756 RESID 202 (L): CA 54.800 54.800 58.406 -3.606 RESID 203 (R): N 124.000 124.000 117.936 6.064 RESID 203 (R): C 176.200 176.200 179.261 -3.061 RESID 203 (R): CA 55.800 55.800 59.015 -3.215 RESID 203 (R): CB 31.260 31.260 29.566 1.694 RESID 204 (I): N 120.500 120.500 120.366 0.134 RESID 204 (I): C 176.000 176.000 178.480 -2.480 RESID 204 (I): CA 64.700 64.700 63.847 0.853 RESID 204 (I): CB 36.400 36.400 37.916 -1.516 RESID 205 (L): N 123.400 123.400 121.465 1.935 RESID 205 (L): C 176.000 176.000 175.656 0.344 RESID 205 (L): CA 55.000 55.000 60.109 -5.109 RESID 206 (P): CA 62.500 62.500 65.247 -2.747 RESID 207 (H): N 113.500 113.500 118.281 -4.781 RESID 207 (H): C 175.200 175.200 177.490 -2.290 RESID 207 (H): CA 53.110 53.110 60.088 -6.978 RESID 207 (H): CB 30.000 30.000 30.688 -0.688 RESID 208 (T): N 122.100 122.100 117.058 5.042 RESID 208 (T): C 178.000 178.000 176.318 1.682 RESID 208 (T): CA 62.850 62.850 67.078 -4.228 RESID 209 (F): N 117.500 117.500 120.290 -2.790 RESID 209 (F): C 175.400 175.400 176.922 -1.522 RESID 209 (F): CA 59.850 59.850 59.693 0.157 RESID 210 (G): N 111.700 111.700 107.171 4.529 RESID 210 (G): C 174.100 174.100 174.141 -0.041 RESID 210 (G): CA 45.000 45.000 45.792 -0.792 RESID 211 (F): N 120.900 120.900 120.134 0.766 RESID 211 (F): C 175.000 175.000 176.310 -1.310 RESID 211 (F): CA 55.950 55.950 58.831 -2.881 RESID 212 (I): N 120.100 120.100 120.282 -0.182 RESID 212 (I): C 175.900 175.900 176.894 -0.994 RESID 212 (I): CA 64.440 64.440 64.156 0.284 RESID 212 (I): CB 36.600 36.600 38.132 -1.532 RESID 213 (V): N 123.400 123.400 120.429 2.971 RESID 213 (V): C 175.300 175.300 174.930 0.370 RESID 213 (V): CA 65.750 65.750 68.717 -2.967 RESID 213 (V): CB 29.680 29.680 28.213 1.467 RESID 215 (L): N 125.300 125.300 119.438 5.862 RESID 215 (L): C 177.200 177.200 178.957 -1.757 RESID 215 (L): CA 55.700 55.700 58.058 -2.358 RESID 215 (L): CB 40.150 40.150 40.973 -0.823 RESID 216 (F): N 123.800 123.800 119.834 3.966 RESID 216 (F): C 179.200 179.200 177.671 1.529 RESID 216 (F): CA 60.650 60.650 61.080 -0.430 RESID 216 (F): CB 37.000 37.000 38.524 -1.524 RESID 217 (V): N 118.500 118.500 119.993 -1.493 RESID 217 (V): C 175.400 175.400 177.403 -2.003 RESID 217 (V): CA 65.660 65.660 66.173 -0.513 RESID 217 (V): CB 29.920 29.920 31.486 -1.566 RESID 218 (M): N 118.300 118.300 119.152 -0.852 RESID 218 (M): C 174.400 174.400 177.958 -3.558 RESID 218 (M): CA 55.000 55.000 58.147 -3.147 RESID 218 (M): CB 31.650 31.650 30.933 0.717 RESID 219 (L): N 120.500 120.500 120.214 0.286 RESID 219 (L): C 177.600 177.600 178.522 -0.922 RESID 219 (L): CA 55.800 55.800 58.600 -2.800 RESID 219 (L): CB 40.810 40.810 41.601 -0.791 RESID 220 (F): N 124.700 124.700 119.341 5.359 RESID 220 (F): C 176.000 176.000 177.895 -1.895 RESID 220 (F): CA 61.170 61.170 61.592 -0.422 RESID 221 (C): N 117.800 117.800 118.132 -0.332 RESID 221 (C): C 176.000 176.000 177.275 -1.275 RESID 221 (C): CA 61.870 61.870 62.384 -0.514 RESID 222 (Y): N 122.000 122.000 123.426 -1.426 RESID 222 (Y): C 178.400 178.400 178.941 -0.541 RESID 222 (Y): CA 57.500 57.500 60.002 -2.502 RESID 222 (Y): CB 37.150 37.150 37.289 -0.139 RESID 223 (G): N 110.300 110.300 106.564 3.736 RESID 223 (G): C 174.500 174.500 175.874 -1.374 RESID 223 (G): CA 41.700 41.700 47.103 -5.403 RESID 224 (F): N 120.100 120.100 120.448 -0.348 RESID 224 (F): C 176.500 176.500 178.599 -2.099 RESID 224 (F): CA 62.300 62.300 61.319 0.981 RESID 224 (F): CB 36.900 36.900 39.086 -2.186 RESID 225 (T): N 118.500 118.500 115.852 2.648 RESID 225 (T): C 175.000 175.000 176.706 -1.706 RESID 225 (T): CA 64.650 64.650 65.824 -1.174 RESID 226 (L): N 122.900 122.900 121.752 1.148 RESID 226 (L): C 177.200 177.200 178.477 -1.277 RESID 226 (L): CA 55.900 55.900 56.273 -0.373 RESID 226 (L): CB 39.400 39.400 41.031 -1.631 RESID 227 (R): N 121.000 121.000 117.743 3.257 RESID 227 (R): C 177.200 177.200 177.234 -0.034 RESID 227 (R): CA 54.600 54.600 58.682 -4.082 RESID 227 (R): CB 28.500 28.500 29.985 -1.485 RESID 228 (T): N 119.600 119.600 112.843 6.757 RESID 228 (T): C 176.900 176.900 174.018 2.882 RESID 228 (T): CA 64.750 64.750 63.717 1.033 RESID 228 (T): CB 66.560 66.560 70.818 -4.258 RESID 229 (L): N 125.600 125.600 124.136 1.464 RESID 229 (L): C 177.800 177.800 176.522 1.278 RESID 229 (L): CA 55.700 55.700 53.428 2.272 RESID 229 (L): CB 40.260 40.260 39.090 1.170 RESID 230 (F): N 121.900 121.900 122.516 -0.616 RESID 230 (F): C 176.900 176.900 177.051 -0.151 RESID 230 (F): CA 58.770 58.770 60.556 -1.786 RESID 230 (F): CB 41.940 41.940 38.134 3.806 RESID 231 (K): N 121.600 121.600 120.129 1.471 RESID 231 (K): C 174.900 174.900 175.957 -1.057 RESID 231 (K): CA 56.000 56.000 55.811 0.189 RESID 231 (K): CB 30.900 30.900 32.696 -1.796 RESID 232 (A): N 123.500 123.500 123.342 0.158 RESID 232 (A): C 176.900 176.900 176.516 0.384 RESID 232 (A): CA 54.000 54.000 53.146 0.854 RESID 232 (A): CB 21.830 21.830 17.882 3.948 RESID 233 (H): N 123.500 123.500 118.478 5.022 RESID 233 (H): C 176.100 176.100 173.537 2.563 RESID 233 (H): CA 55.700 55.700 54.264 1.436 RESID 233 (H): CB 29.060 29.060 30.128 -1.067 RESID 234 (M): N 120.000 120.000 119.238 0.762 RESID 234 (M): C 176.700 176.700 176.819 -0.119 RESID 234 (M): CA 58.000 58.000 55.616 2.384 RESID 234 (M): CB 31.810 31.810 32.250 -0.440 RESID 235 (G): N 109.600 109.600 110.047 -0.447 RESID 235 (G): C 173.300 173.300 174.921 -1.621 RESID 235 (G): CA 42.800 42.800 45.536 -2.736 RESID 236 (Q): N 116.800 116.800 121.183 -4.383 RESID 236 (Q): C 173.100 173.100 177.281 -4.181 RESID 236 (Q): CA 55.000 55.000 57.426 -2.426 RESID 236 (Q): CB 25.400 25.400 27.996 -2.596 RESID 237 (K): N 123.200 123.200 120.202 2.998 RESID 237 (K): C 178.100 178.100 177.294 0.806 RESID 237 (K): CA 56.000 56.000 59.828 -3.828 RESID 237 (K): CB 31.110 31.110 32.301 -1.191 RESID 238 (H): N 123.600 123.600 113.744 9.856 RESID 238 (H): C 177.000 177.000 177.105 -0.105 RESID 238 (H): CA 54.720 54.720 56.956 -2.236 RESID 238 (H): CB 30.000 30.000 32.245 -2.245 RESID 239 (R): N 122.100 122.100 122.791 -0.691 RESID 239 (R): C 176.600 176.600 177.735 -1.135 RESID 239 (R): CA 55.650 55.650 58.185 -2.535 RESID 239 (R): CB 31.100 31.100 29.052 2.048 RESID 240 (A): N 121.800 121.800 122.842 -1.042 RESID 240 (A): C 175.900 175.900 179.478 -3.578 RESID 240 (A): CA 52.800 52.800 55.135 -2.335 RESID 240 (A): CB 16.700 16.700 17.826 -1.126 RESID 241 (M): N 120.200 120.200 117.876 2.324 RESID 241 (M): C 175.600 175.600 178.214 -2.614 RESID 241 (M): CA 58.100 58.100 58.305 -0.205 RESID 241 (M): CB 31.810 31.810 31.547 0.263 RESID 242 (R): N 121.200 121.200 119.020 2.180 RESID 242 (R): C 177.400 177.400 179.022 -1.622 RESID 242 (R): CA 56.000 56.000 58.960 -2.960 RESID 242 (R): CB 30.910 30.910 30.195 0.715 RESID 243 (V): N 119.700 119.700 120.434 -0.734 RESID 243 (V): C 175.600 175.600 178.402 -2.802 RESID 243 (V): CA 65.470 65.470 65.449 0.021 RESID 243 (V): CB 29.400 29.400 30.677 -1.277 RESID 244 (I): N 120.900 120.900 122.222 -1.322 RESID 244 (I): C 175.500 175.500 178.284 -2.784 RESID 244 (I): CA 64.600 64.600 64.683 -0.083 RESID 244 (I): CB 36.800 36.800 36.922 -0.122 RESID 245 (F): N 117.200 117.200 118.698 -1.498 RESID 245 (F): C 175.100 175.100 177.260 -2.160 RESID 245 (F): CA 60.200 60.200 61.690 -1.490 RESID 245 (F): CB 39.770 39.770 38.343 1.427 RESID 246 (A): N 122.300 122.300 122.760 -0.460 RESID 246 (A): C 177.700 177.700 179.256 -1.556 RESID 246 (A): CA 53.200 53.200 55.487 -2.287 RESID 246 (A): CB 16.880 16.880 18.054 -1.174 RESID 247 (V): N 121.000 121.000 115.748 5.252 RESID 247 (V): C 175.000 175.000 177.307 -2.307 RESID 247 (V): CA 66.450 66.450 65.018 1.432 RESID 247 (V): CB 29.550 29.550 30.579 -1.029 RESID 248 (V): N 122.300 122.300 119.825 2.475 RESID 248 (V): C 177.200 177.200 178.123 -0.923 RESID 248 (V): CA 64.860 64.860 66.250 -1.390 RESID 248 (V): CB 30.140 30.140 30.441 -0.301 RESID 249 (L): N 119.300 119.300 119.633 -0.333 RESID 249 (L): C 176.400 176.400 179.417 -3.017 RESID 249 (L): CA 56.180 56.180 57.965 -1.786 RESID 249 (L): CB 40.650 40.650 41.383 -0.733 RESID 250 (I): N 121.200 121.200 119.775 1.425 RESID 250 (I): C 176.900 176.900 178.059 -1.159 RESID 250 (I): CA 64.200 64.200 64.890 -0.690 RESID 250 (I): CB 36.700 36.700 36.729 -0.029 RESID 251 (F): N 125.100 125.100 116.619 8.481 RESID 251 (F): C 177.100 177.100 178.388 -1.288 RESID 251 (F): CA 59.800 59.800 59.909 -0.109 RESID 252 (L): N 118.800 118.800 118.449 0.351 RESID 252 (L): C 176.700 176.700 178.790 -2.090 RESID 252 (L): CA 56.000 56.000 56.911 -0.911 RESID 252 (L): CB 40.700 40.700 41.227 -0.527 RESID 253 (L): N 121.800 121.800 121.925 -0.125 RESID 253 (L): C 176.700 176.700 178.136 -1.436 RESID 253 (L): CA 56.220 56.220 58.556 -2.336 RESID 253 (L): CB 40.000 40.000 40.977 -0.977 RESID 254 (C): N 119.800 119.800 115.956 3.844 RESID 254 (C): C 176.800 176.800 177.033 -0.233 RESID 254 (C): CA 58.300 58.300 59.454 -1.154 RESID 254 (C): CB 28.040 28.040 28.577 -0.537 RESID 255 (W): N 121.300 121.300 123.913 -2.613 RESID 255 (W): C 178.400 178.400 176.807 1.593 RESID 255 (W): CA 56.940 56.940 58.847 -1.907 RESID 255 (W): CB 29.850 29.850 29.350 0.500 RESID 256 (L): N 124.900 124.900 123.563 1.337 RESID 256 (L): C 177.700 177.700 175.744 1.956 RESID 256 (L): CA 55.840 55.840 60.361 -4.521 RESID 256 (L): CB 40.000 40.000 39.026 0.974 RESID 258 (Y): N 124.900 124.900 120.334 4.566 RESID 258 (Y): C 179.000 179.000 177.244 1.756 RESID 258 (Y): CA 58.330 58.330 61.561 -3.231 RESID 258 (Y): CB 42.070 42.070 38.096 3.974 RESID 259 (N): N 123.000 123.000 117.626 5.374 RESID 259 (N): C 173.000 173.000 177.111 -4.111 RESID 259 (N): CA 53.900 53.900 55.600 -1.700 RESID 259 (N): CB 37.620 37.620 37.099 0.521 RESID 260 (L): N 121.800 121.800 120.257 1.543 RESID 260 (L): C 175.300 175.300 178.505 -3.205 RESID 260 (L): CA 56.190 56.190 58.736 -2.546 RESID 260 (L): CB 39.060 39.060 41.717 -2.657 RESID 261 (V): N 118.600 118.600 118.423 0.177 RESID 261 (V): C 175.000 175.000 177.670 -2.670 RESID 261 (V): CA 65.200 65.200 66.118 -0.918 RESID 261 (V): CB 29.620 29.620 31.768 -2.148 RESID 262 (L): N 121.800 121.800 121.303 0.497 RESID 262 (L): C 176.600 176.600 177.961 -1.361 RESID 262 (L): CA 56.000 56.000 58.270 -2.270 RESID 262 (L): CB 40.070 40.070 41.346 -1.276 RESID 263 (L): N 123.500 123.500 118.787 4.713 RESID 263 (L): C 176.000 176.000 179.254 -3.254 RESID 263 (L): CA 55.600 55.600 57.975 -2.375 RESID 263 (L): CB 40.620 40.620 41.102 -0.482 RESID 264 (A): N 122.200 122.200 121.563 0.637 RESID 264 (A): C 174.400 174.400 179.295 -4.895 RESID 264 (A): CA 53.300 53.300 55.445 -2.145 RESID 264 (A): CB 15.820 15.820 17.698 -1.878 RESID 265 (D): N 126.500 126.500 118.150 8.350 RESID 265 (D): C 171.600 171.600 179.237 -7.637 RESID 265 (D): CA 56.300 56.300 56.853 -0.554 RESID 266 (T): N 120.700 120.700 115.577 5.123 RESID 266 (T): C 175.300 175.300 176.665 -1.365 RESID 266 (T): CA 60.300 60.300 65.130 -4.830 RESID 267 (L): N 121.600 121.600 118.929 2.671 RESID 267 (L): C 176.100 176.100 177.384 -1.284 RESID 267 (L): CA 55.950 55.950 56.169 -0.219 RESID 267 (L): CB 40.130 40.130 41.998 -1.868 RESID 268 (M): N 120.200 120.200 119.177 1.023 RESID 268 (M): C 176.800 176.800 175.349 1.451 RESID 268 (M): CA 58.200 58.200 55.007 3.193 RESID 268 (M): CB 31.900 31.900 30.548 1.352 RESID 269 (R): N 116.700 116.700 119.742 -3.042 RESID 269 (R): C 175.500 175.500 177.542 -2.042 RESID 269 (R): CA 57.000 57.000 58.411 -1.411 RESID 269 (R): CB 29.700 29.700 29.405 0.295 RESID 270 (T): N 117.100 117.100 105.219 11.881 RESID 270 (T): C 175.700 175.700 174.006 1.694 RESID 270 (T): CA 64.000 64.000 63.500 0.500 RESID 271 (Q): N 122.800 122.800 121.079 1.721 RESID 271 (Q): C 176.000 176.000 175.027 0.973 RESID 271 (Q): CA 57.400 57.400 54.554 2.846 RESID 272 (V): N 121.300 121.300 118.872 2.428 RESID 272 (V): C 176.000 176.000 175.877 0.123 RESID 272 (V): CA 63.670 63.670 63.907 -0.237 RESID 272 (V): CB 35.310 35.310 30.544 4.766 RESID 273 (I): N 123.300 123.300 125.249 -1.949 RESID 273 (I): C 178.300 178.300 175.291 3.009 RESID 273 (I): CA 64.000 64.000 62.261 1.739 RESID 273 (I): CB 36.000 36.000 39.295 -3.295 RESID 274 (Q): N 123.400 123.400 122.286 1.114 RESID 274 (Q): C 176.000 176.000 175.058 0.942 RESID 274 (Q): CA 56.950 56.950 57.302 -0.352 RESID 275 (E): N 123.600 123.600 115.383 8.217 RESID 275 (E): C 177.200 177.200 175.655 1.545 RESID 275 (E): CA 55.730 55.730 56.054 -0.324 RESID 275 (E): CB 29.130 29.130 29.851 -0.721 RESID 276 (S): N 116.400 116.400 118.855 -2.455 RESID 276 (S): CA 61.300 61.300 61.075 0.225 RESID 276 (S): CB 63.340 63.340 63.078 0.262 RESID 277 (C): N 117.200 117.200 120.032 -2.832 RESID 277 (C): C 175.600 175.600 177.435 -1.835 RESID 277 (C): CA 55.300 55.300 62.195 -6.895 RESID 277 (C): CB 25.240 25.240 26.451 -1.211 RESID 278 (E): N 120.900 120.900 119.655 1.245 RESID 278 (E): C 175.200 175.200 179.140 -3.940 RESID 278 (E): CA 58.200 58.200 59.414 -1.214 RESID 278 (E): CB 28.890 28.890 29.299 -0.409 RESID 279 (R): N 123.000 123.000 119.184 3.816 RESID 279 (R): C 176.600 176.600 178.676 -2.076 RESID 279 (R): CA 56.200 56.200 59.102 -2.901 RESID 279 (R): CB 29.500 29.500 30.065 -0.565 RESID 280 (R): N 124.000 124.000 118.801 5.199 RESID 280 (R): C 176.300 176.300 177.094 -0.794 RESID 280 (R): CA 55.870 55.870 58.375 -2.505 RESID 280 (R): CB 28.250 28.250 30.247 -1.997 RESID 281 (N): N 121.100 121.100 117.593 3.507 RESID 281 (N): C 174.600 174.600 177.688 -3.088 RESID 281 (N): CA 51.880 51.880 55.782 -3.902 RESID 281 (N): CB 37.700 37.700 38.930 -1.230 RESID 282 (N): N 121.600 121.600 119.388 2.212 RESID 282 (N): C 176.600 176.600 177.489 -0.889 RESID 282 (N): CA 55.800 55.800 56.557 -0.757 RESID 282 (N): CB 39.000 39.000 38.590 0.410 RESID 283 (I): N 120.800 120.800 119.722 1.078 RESID 283 (I): C 175.200 175.200 176.596 -1.396 RESID 283 (I): CA 64.500 64.500 62.939 1.561 RESID 283 (I): CB 36.600 36.600 37.315 -0.715 RESID 284 (G): N 110.500 110.500 106.449 4.051 RESID 284 (G): C 176.800 176.800 175.576 1.224 RESID 284 (G): CA 41.400 41.400 45.425 -4.025 RESID 286 (A): N 122.800 122.800 121.440 1.360 RESID 286 (A): C 178.500 178.500 179.697 -1.197 RESID 286 (A): CA 53.840 53.840 54.826 -0.986 RESID 286 (A): CB 16.630 16.630 18.435 -1.805 RESID 287 (L): N 125.500 125.500 118.329 7.171 RESID 287 (L): C 175.800 175.800 178.034 -2.234 RESID 287 (L): CA 56.150 56.150 57.862 -1.712 RESID 287 (L): CB 40.200 40.200 41.943 -1.743 RESID 288 (D): N 116.800 116.800 119.233 -2.433 RESID 288 (D): C 176.500 176.500 177.901 -1.401 RESID 288 (D): CA 56.250 56.250 57.045 -0.795 RESID 289 (A): N 124.600 124.600 121.141 3.459 RESID 289 (A): C 177.500 177.500 179.577 -2.077 RESID 289 (A): CA 53.250 53.250 55.496 -2.246 RESID 289 (A): CB 16.900 16.900 18.348 -1.448 RESID 290 (T): N 114.900 114.900 113.325 1.575 RESID 290 (T): C 177.000 177.000 176.393 0.607 RESID 290 (T): CA 64.100 64.100 66.032 -1.933 RESID 291 (E): N 120.800 120.800 122.881 -2.081 RESID 291 (E): C 177.000 177.000 178.720 -1.720 RESID 291 (E): CA 57.500 57.500 59.277 -1.777 RESID 291 (E): CB 29.700 29.700 29.684 0.016 RESID 292 (I): N 121.300 121.300 117.971 3.329 RESID 292 (I): C 176.000 176.000 178.139 -2.139 RESID 292 (I): CA 64.300 64.300 64.887 -0.587 RESID 292 (I): CB 36.640 36.640 37.588 -0.948 RESID 293 (L): N 122.700 122.700 119.914 2.786 RESID 293 (L): C 175.100 175.100 178.654 -3.554 RESID 293 (L): CA 55.600 55.600 57.650 -2.050 RESID 293 (L): CB 39.440 39.440 40.592 -1.152 RESID 294 (G): N 108.500 108.500 107.765 0.735 RESID 294 (G): C 173.800 173.800 176.341 -2.541 RESID 294 (G): CA 45.030 45.030 46.947 -1.917 RESID 295 (F): N 121.600 121.600 122.160 -0.560 RESID 295 (F): C 177.500 177.500 176.903 0.597 RESID 295 (F): CA 58.500 58.500 59.127 -0.627 RESID 296 (L): N 120.900 120.900 119.368 1.532 RESID 296 (L): C 175.300 175.300 177.769 -2.469 RESID 296 (L): CA 55.900 55.900 56.154 -0.254 RESID 296 (L): CB 40.000 40.000 39.376 0.624 RESID 297 (H): N 120.600 120.600 118.697 1.903 RESID 297 (H): C 176.600 176.600 175.683 0.917 RESID 297 (H): CA 57.700 57.700 57.644 0.056 RESID 297 (H): CB 30.130 30.130 29.741 0.390 RESID 298 (S): N 122.500 122.500 112.478 10.022 RESID 298 (S): C 177.700 177.700 174.457 3.243 RESID 298 (S): CA 62.580 62.580 57.963 4.617 RESID 298 (S): CB 64.530 64.530 65.229 -0.699 RESID 299 (C): N 121.600 121.600 118.815 2.785 RESID 299 (C): C 177.300 177.300 175.668 1.632 RESID 299 (C): CA 59.200 59.200 59.573 -0.373 RESID 299 (C): CB 27.360 27.360 30.479 -3.119 RESID 300 (L): N 121.300 121.300 121.580 -0.280 RESID 300 (L): C 179.000 179.000 178.134 0.866 RESID 300 (L): CA 54.960 54.960 57.556 -2.596 RESID 300 (L): CB 40.740 40.740 41.016 -0.276 RESID 301 (N): N 119.000 119.000 119.685 -0.685 RESID 301 (N): C 176.600 176.600 174.099 2.501 RESID 301 (N): CA 53.300 53.300 57.435 -4.135 RESID 301 (N): CB 36.760 36.760 36.902 -0.142 RESID 302 (P): CA 58.860 58.860 65.719 -6.859 RESID 303 (I): N 120.900 120.900 119.416 1.484 RESID 303 (I): C 173.700 173.700 178.203 -4.503 RESID 303 (I): CA 66.500 66.500 65.357 1.143 RESID 303 (I): CB 36.650 36.650 37.897 -1.247 RESID 304 (I): N 120.400 120.400 119.927 0.473 RESID 304 (I): C 175.900 175.900 178.258 -2.358 RESID 304 (I): CA 65.800 65.800 64.274 1.526 RESID 304 (I): CB 36.330 36.330 36.883 -0.553 RESID 305 (Y): N 120.300 120.300 119.820 0.480 RESID 305 (Y): C 174.800 174.800 177.576 -2.776 RESID 305 (Y): CA 56.700 56.700 61.426 -4.726 RESID 305 (Y): CB 37.900 37.900 37.326 0.574 RESID 306 (A): N 123.300 123.300 121.036 2.264 RESID 306 (A): C 172.000 172.000 179.090 -7.090 RESID 306 (A): CA 54.350 54.350 54.272 0.078 RESID 306 (A): CB 16.400 16.400 18.516 -2.116 RESID 307 (F): N 120.400 120.400 117.562 2.838 RESID 307 (F): C 175.900 175.900 177.564 -1.664 RESID 307 (F): CA 60.250 60.250 61.152 -0.902 RESID 307 (F): CB 40.200 40.200 38.722 1.478 RESID 308 (I): N 120.700 120.700 117.692 3.008 RESID 308 (I): C 177.200 177.200 177.699 -0.499 RESID 308 (I): CA 64.550 64.550 63.178 1.372 RESID 308 (I): CB 36.600 36.600 38.120 -1.520 RESID 309 (G): N 111.300 111.300 107.778 3.522 RESID 309 (G): C 174.000 174.000 173.614 0.386 RESID 309 (G): CA 41.600 41.600 45.222 -3.622 RESID 310 (Q): N 119.400 119.400 116.852 2.548 RESID 310 (Q): C 176.200 176.200 176.484 -0.284 RESID 310 (Q): CA 57.800 57.800 56.268 1.532 RESID 310 (Q): CB 31.900 31.900 30.212 1.688 RESID 311 (N): N 120.100 120.100 118.111 1.989 RESID 311 (N): C 175.600 175.600 176.660 -1.060 RESID 311 (N): CA 55.500 55.500 55.195 0.305 RESID 311 (N): CB 38.800 38.800 37.462 1.337 RESID 312 (F): N 120.700 120.700 119.496 1.204 RESID 312 (F): C 175.400 175.400 177.821 -2.421 RESID 312 (F): CA 58.300 58.300 61.205 -2.905 RESID 312 (F): CB 36.800 36.800 38.536 -1.736 RESID 313 (R): N 123.000 123.000 120.389 2.611 RESID 313 (R): C 174.500 174.500 178.301 -3.801 RESID 313 (R): CA 56.000 56.000 59.690 -3.690 RESID 313 (R): CB 29.300 29.300 29.830 -0.530 RESID 314 (H): N 122.100 122.100 115.794 6.306 RESID 314 (H): C 176.300 176.300 177.520 -1.220 RESID 314 (H): CA 58.600 58.600 58.112 0.488 RESID 314 (H): CB 29.900 29.900 29.457 0.443 RESID 315 (G): N 109.700 109.700 108.897 0.803 RESID 315 (G): C 174.100 174.100 175.595 -1.495 RESID 315 (G): CA 47.200 47.200 46.865 0.335 RESID 316 (F): N 123.600 123.600 120.422 3.178 RESID 316 (F): C 176.200 176.200 177.608 -1.408 RESID 316 (F): CA 58.200 58.200 60.947 -2.747 RESID 317 (L): N 122.000 122.000 119.586 2.414 RESID 317 (L): C 176.600 176.600 178.617 -2.017 RESID 317 (L): CA 55.700 55.700 57.364 -1.664 RESID 317 (L): CB 40.200 40.200 41.289 -1.089 RESID 318 (K): N 121.800 121.800 120.100 1.700 RESID 318 (K): C 177.500 177.500 179.238 -1.738 RESID 318 (K): CA 56.200 56.200 59.661 -3.461 RESID 318 (K): CB 30.000 30.000 32.162 -2.162 RESID 319 (I): N 120.600 120.600 118.893 1.707 RESID 319 (I): C 176.000 176.000 177.917 -1.917 RESID 319 (I): CA 65.200 65.200 64.397 0.803 RESID 319 (I): CB 36.400 36.400 38.130 -1.730 RESID 320 (L): N 121.900 121.900 119.174 2.726 RESID 320 (L): C 176.800 176.800 178.595 -1.795 RESID 320 (L): CA 56.200 56.200 57.572 -1.372 RESID 320 (L): CB 40.000 40.000 41.550 -1.550 RESID 321 (A): N 123.000 123.000 120.142 2.858 RESID 321 (A): C 177.100 177.100 178.309 -1.209 RESID 321 (A): CA 55.000 55.000 54.062 0.938 RESID 321 (A): CB 18.000 18.000 19.129 -1.129 RESID 322 (M): N 120.400 120.400 114.504 5.896 RESID 322 (M): C 173.300 173.300 176.751 -3.451 RESID 322 (M): CA 56.100 56.100 56.818 -0.718 RESID 323 (H): N 120.700 120.700 114.154 6.546 RESID 323 (H): C 173.200 173.200 176.161 -2.961 RESID 323 (H): CA 57.000 57.000 58.004 -1.004 RESID 323 (H): CB 29.700 29.700 27.509 2.192 N HA C CA CB H RESID 31 (M): -2.117 ----- -3.689 2.829 -1.374 ----- RESID 32 (L): 6.220 ----- -4.502 -2.465 -2.411 ----- RESID 33 (E): 11.437 ----- -2.702 0.072 0.212 ----- RESID 34 (T): -0.584 ----- -2.394 2.099 -3.029 ----- RESID 35 (E): 1.170 ----- -8.034 -2.589 -1.567 ----- RESID 36 (T): -5.469 ----- -0.932 1.369 ----- ----- RESID 37 (L): 1.254 ----- 0.225 1.704 -0.950 ----- RESID 38 (N): 0.329 ----- 0.496 0.127 2.607 ----- RESID 39 (K): -0.416 ----- -4.677 -2.418 -2.123 ----- RESID 40 (Y): -0.048 ----- -1.229 -1.867 1.357 ----- RESID 41 (V): 3.891 ----- -1.104 -1.057 -1.564 ----- RESID 42 (V): 0.439 ----- -0.914 -0.620 -1.967 ----- RESID 43 (I): 1.476 ----- -0.814 -0.724 -0.629 ----- RESID 44 (I): 0.168 ----- -2.761 -3.711 0.818 ----- RESID 45 (A): -1.432 ----- -3.971 -2.731 -1.372 ----- RESID 46 (Y): 0.377 ----- -2.177 -2.759 1.704 ----- RESID 47 (A): 1.629 ----- -4.646 -1.792 -2.911 ----- RESID 48 (L): -1.980 ----- -1.423 -0.725 ----- ----- RESID 49 (V): -1.946 ----- 2.676 1.318 -1.506 ----- RESID 50 (F): 6.195 ----- -6.029 1.733 4.300 ----- RESID 51 (L): 2.913 ----- -1.204 -3.095 -1.667 ----- RESID 52 (L): 5.899 ----- -5.125 -2.562 -1.522 ----- RESID 53 (S): 4.176 ----- -3.830 -2.643 ----- ----- RESID 54 (L): -0.621 ----- -1.026 -1.352 -1.200 ----- RESID 55 (L): 9.241 ----- -1.627 -1.470 -0.606 ----- RESID 56 (G): 3.180 ----- -0.673 0.392 ----- ----- RESID 57 (N): -1.453 ----- -0.513 -0.497 1.455 ----- RESID 58 (S): -4.231 ----- 3.495 -1.716 0.466 ----- RESID 59 (L): -0.368 ----- -1.383 -1.691 -0.297 ----- RESID 60 (V): 1.217 ----- -2.965 -0.497 -1.350 ----- RESID 61 (M): -1.321 ----- -1.875 -3.468 ----- ----- RESID 62 (L): 2.591 ----- -1.353 -1.947 -2.221 ----- RESID 63 (V): 0.980 ----- ----- -1.908 -1.847 ----- RESID 64 (I): 3.753 ----- -3.580 1.200 0.278 ----- RESID 65 (L): -2.061 ----- -3.883 -1.519 -2.397 ----- RESID 66 (Y): 5.579 ----- 1.624 0.113 1.552 ----- RESID 67 (S): 1.594 ----- -0.251 3.225 -1.318 ----- RESID 68 (R): -6.858 ----- -1.503 1.737 ----- ----- RESID 69 (V): 2.047 ----- -0.830 3.784 -1.669 ----- RESID 70 (G): 2.978 ----- 0.744 -2.913 ----- ----- RESID 71 (R): 4.135 ----- 1.413 1.581 0.697 ----- RESID 72 (S): 1.718 ----- -1.302 1.423 ----- ----- RESID 73 (V): 3.625 ----- -1.929 1.868 -1.776 ----- RESID 74 (T): 8.503 ----- 0.043 -0.267 ----- ----- RESID 75 (D): -0.346 ----- -2.111 -1.149 0.307 ----- RESID 76 (V): 0.551 ----- -2.028 -0.776 -1.155 ----- RESID 77 (Y): 3.577 ----- -1.976 -1.026 -1.356 ----- RESID 78 (L): 0.084 ----- -2.129 -2.095 -1.032 ----- RESID 79 (L): 6.454 ----- -3.132 -2.400 -0.325 ----- RESID 80 (N): 3.156 ----- 0.343 0.446 0.549 ----- RESID 81 (L): 3.054 ----- -2.366 -1.645 -2.557 ----- RESID 82 (A): 2.850 ----- -2.413 -1.511 -0.052 ----- RESID 83 (L): 1.285 ----- -2.195 -2.064 -1.702 ----- RESID 84 (A): 2.966 ----- -2.856 -1.030 -1.376 ----- RESID 85 (D): 0.648 ----- 0.324 -1.194 -1.379 ----- RESID 86 (L): 0.813 ----- -5.156 -1.900 -1.924 ----- RESID 87 (L): 1.951 ----- -3.296 -2.183 -1.774 ----- RESID 88 (F): 0.085 ----- -4.890 -5.344 1.930 ----- RESID 89 (A): 4.198 ----- -7.025 -1.925 -1.188 ----- RESID 90 (L): 1.577 ----- -5.143 -1.379 -2.282 ----- RESID 91 (T): 5.677 ----- 0.365 -3.610 0.474 ----- RESID 92 (L): -1.062 ----- -0.292 -4.508 1.476 ----- RESID 94 (I): 5.226 ----- -1.255 -0.239 -0.922 ----- RESID 95 (W): -2.077 ----- -0.771 -2.186 0.030 ----- RESID 96 (A): 5.686 ----- -0.803 -2.139 2.592 ----- RESID 97 (A): 3.111 ----- -1.614 -1.521 -1.293 ----- RESID 98 (S): -1.252 ----- ----- 2.689 ----- ----- RESID 99 (K): 0.909 ----- -1.200 -1.270 -2.392 ----- RESID 100 (V): 0.630 ----- -1.281 -0.738 -1.952 ----- RESID 101 (N): -0.483 ----- -3.005 -1.952 0.545 ----- RESID 102 (G): 2.767 ----- 1.551 1.146 ----- ----- RESID 103 (W): -2.391 ----- 0.174 2.634 -0.518 ----- RESID 104 (I): 10.480 ----- 2.513 1.067 -5.697 ----- RESID 105 (F): 3.903 ----- 3.019 -1.530 -0.311 ----- RESID 106 (G): -0.466 ----- 1.822 -1.844 ----- ----- RESID 107 (T): 1.236 ----- -1.427 0.025 0.704 ----- RESID 108 (F): 3.229 ----- -3.510 0.006 -0.337 ----- RESID 109 (L): 3.694 ----- -2.596 -2.200 0.723 ----- RESID 110 (C): -0.866 ----- -0.475 -6.334 13.279 ----- RESID 111 (K): 2.016 ----- -0.733 -1.725 -2.335 ----- RESID 112 (V): 6.297 ----- -3.105 3.516 ----- ----- RESID 113 (V): 7.611 ----- -8.091 1.704 ----- ----- RESID 114 (S): 2.422 ----- -0.984 -0.849 -0.814 ----- RESID 115 (L): -3.566 ----- -4.732 -2.178 -1.340 ----- RESID 116 (L): 11.110 ----- -0.796 -1.932 -0.598 ----- RESID 117 (K): -0.097 ----- -5.254 -3.074 -2.419 ----- RESID 118 (E): 0.913 ----- -1.879 -3.900 -1.077 ----- RESID 119 (V): 4.969 ----- -3.652 -0.625 -2.180 ----- RESID 120 (N): 1.605 ----- -3.016 -0.136 0.775 ----- RESID 121 (F): 3.120 ----- -2.676 -1.475 -1.665 ----- RESID 122 (Y): 3.849 ----- -2.044 0.850 -0.342 ----- RESID 123 (S): 7.523 ----- -2.920 -4.617 -3.017 ----- RESID 124 (G): -1.875 ----- -5.171 -4.681 ----- ----- RESID 125 (I): -3.191 ----- -3.079 -1.672 -1.411 ----- RESID 126 (L): 2.651 ----- -5.450 -1.579 ----- ----- RESID 127 (L): 5.723 ----- -2.433 -3.235 -0.400 ----- RESID 128 (L): 3.333 ----- -2.991 -0.401 -0.264 ----- RESID 129 (A): 2.269 ----- -3.902 -2.031 -0.734 ----- RESID 130 (C): 3.316 ----- -0.222 -1.507 2.585 ----- RESID 131 (I): -1.468 ----- -3.862 -3.066 -1.426 ----- RESID 132 (S): 1.740 ----- -1.548 1.768 3.633 ----- RESID 133 (V): 6.496 ----- 0.131 0.945 ----- ----- RESID 134 (D): 4.484 ----- -4.968 0.317 0.187 ----- RESID 135 (R): 4.109 ----- -4.266 -0.670 0.581 ----- RESID 136 (Y): 0.684 ----- -1.605 -0.594 -0.540 ----- RESID 137 (L): 3.788 ----- -3.883 -1.616 -0.299 ----- RESID 138 (A): 6.139 ----- -1.636 -0.898 -2.010 ----- RESID 139 (I): 3.770 ----- 0.749 -1.547 -9.103 ----- RESID 140 (V): 0.219 ----- -1.331 0.682 -1.359 ----- RESID 141 (H): -5.581 ----- 4.034 2.674 0.273 ----- RESID 142 (A): -3.920 ----- -1.892 1.116 -2.022 ----- RESID 143 (T): -0.714 ----- 2.283 -2.615 -3.940 ----- RESID 144 (R): ----- ----- ----- 0.545 -1.910 ----- RESID 145 (T): 10.418 ----- 3.494 -0.053 -5.259 ----- RESID 146 (L): 5.087 ----- -2.185 1.233 -0.232 ----- RESID 147 (T): 8.707 ----- 3.748 0.750 -7.462 ----- RESID 148 (Q): 1.326 ----- -0.390 -2.924 -0.344 ----- RESID 149 (K): -1.850 ----- -3.013 0.190 ----- ----- RESID 150 (R): 2.936 ----- -0.887 -3.037 1.589 ----- RESID 151 (H): 0.230 ----- 0.701 -0.001 0.479 ----- RESID 152 (L): 0.718 ----- -1.310 -1.482 -1.864 ----- RESID 153 (V): 5.877 ----- -3.460 -4.721 ----- ----- RESID 154 (K): -4.166 ----- -3.355 0.168 ----- ----- RESID 155 (F): 0.403 ----- -0.791 -0.172 ----- ----- RESID 156 (V): 3.808 ----- 0.193 -5.214 1.833 ----- RESID 157 (C): ----- ----- ----- -5.918 ----- ----- RESID 158 (L): 1.466 ----- -3.096 -2.479 ----- ----- RESID 159 (G): -1.236 ----- 0.337 -2.385 ----- ----- RESID 160 (C): -4.527 ----- 4.202 -2.516 2.633 ----- RESID 161 (W): -2.383 ----- -4.222 -4.986 ----- ----- RESID 162 (G): 1.334 ----- -2.400 -2.091 ----- ----- RESID 163 (L): -2.682 ----- -5.280 -1.542 -1.144 ----- RESID 164 (S): 2.388 ----- -1.880 -6.198 2.637 ----- RESID 165 (M): -1.197 ----- -1.903 -2.055 -2.705 ----- RESID 166 (N): 2.311 ----- -1.307 0.438 0.603 ----- RESID 167 (L): 0.913 ----- -0.257 7.534 -5.867 ----- RESID 168 (S): 5.989 ----- -1.991 -4.238 -6.394 ----- RESID 169 (L): -1.179 ----- 2.148 -3.364 -0.591 ----- RESID 171 (F): 0.955 ----- -3.453 1.118 ----- ----- RESID 172 (F): -1.134 ----- -3.105 -1.404 3.464 ----- RESID 173 (L): 1.518 ----- -0.678 -3.217 -5.843 ----- RESID 174 (F): 7.606 ----- 2.598 1.208 1.105 ----- RESID 175 (R): -2.144 ----- 1.737 -0.453 ----- ----- RESID 176 (Q): 2.477 ----- 4.380 -1.595 ----- ----- RESID 177 (A): 5.050 ----- 1.885 2.817 -3.488 ----- RESID 178 (Y): 4.464 ----- -0.274 0.670 1.986 ----- RESID 179 (H): -0.128 ----- 2.316 4.268 1.127 ----- RESID 181 (N): 2.046 ----- -1.816 3.645 -5.136 ----- RESID 182 (N): -6.312 ----- 2.226 0.291 ----- ----- RESID 183 (S): 1.649 ----- 2.684 -2.183 0.138 ----- RESID 184 (S): 0.961 ----- 2.822 -0.951 -1.330 ----- RESID 186 (V): -2.109 ----- 0.756 3.352 -3.625 ----- RESID 187 (C): -10.010 ----- 2.907 -3.255 11.133 ----- RESID 188 (Y): -2.566 ----- 2.662 -0.326 -0.448 ----- RESID 189 (E): 2.479 ----- 0.376 1.762 1.962 ----- RESID 190 (V): 2.814 ----- -4.273 2.838 -3.331 ----- RESID 191 (L): 3.064 ----- ----- -1.002 ----- ----- RESID 192 (G): 4.842 ----- 0.046 0.624 ----- ----- RESID 193 (N): 0.148 ----- ----- -1.877 0.993 ----- RESID 194 (D): 4.498 ----- -4.091 -1.269 0.288 ----- RESID 195 (T): 7.680 ----- 0.127 -2.180 ----- ----- RESID 196 (A): -1.172 ----- -4.585 -0.386 -1.432 ----- RESID 197 (K): 8.274 ----- -0.282 1.282 -3.203 ----- RESID 198 (W): 3.410 ----- 0.553 1.478 3.929 ----- RESID 199 (R): 3.006 ----- -0.016 -3.623 1.223 ----- RESID 200 (M): -0.254 ----- -2.265 -0.566 -1.057 ----- RESID 201 (V): 5.997 ----- -3.087 0.241 -1.316 ----- RESID 202 (L): 3.266 ----- -5.756 -3.606 ----- ----- RESID 203 (R): 6.064 ----- -3.061 -3.215 1.694 ----- RESID 204 (I): 0.134 ----- -2.480 0.853 -1.516 ----- RESID 205 (L): 1.935 ----- 0.344 -5.109 ----- ----- RESID 206 (P): ----- ----- ----- -2.747 ----- ----- RESID 207 (H): -4.781 ----- -2.290 -6.978 -0.688 ----- RESID 208 (T): 5.042 ----- 1.682 -4.228 ----- ----- RESID 209 (F): -2.790 ----- -1.522 0.157 ----- ----- RESID 210 (G): 4.529 ----- -0.041 -0.792 ----- ----- RESID 211 (F): 0.766 ----- -1.310 -2.881 ----- ----- RESID 212 (I): -0.182 ----- -0.994 0.284 -1.532 ----- RESID 213 (V): 2.971 ----- 0.370 -2.967 1.467 ----- RESID 215 (L): 5.862 ----- -1.757 -2.358 -0.823 ----- RESID 216 (F): 3.966 ----- 1.529 -0.430 -1.524 ----- RESID 217 (V): -1.493 ----- -2.003 -0.513 -1.566 ----- RESID 218 (M): -0.852 ----- -3.558 -3.147 0.717 ----- RESID 219 (L): 0.286 ----- -0.922 -2.800 -0.791 ----- RESID 220 (F): 5.359 ----- -1.895 -0.422 ----- ----- RESID 221 (C): -0.332 ----- -1.275 -0.514 ----- ----- RESID 222 (Y): -1.426 ----- -0.541 -2.502 -0.139 ----- RESID 223 (G): 3.736 ----- -1.374 -5.403 ----- ----- RESID 224 (F): -0.348 ----- -2.099 0.981 -2.186 ----- RESID 225 (T): 2.648 ----- -1.706 -1.174 ----- ----- RESID 226 (L): 1.148 ----- -1.277 -0.373 -1.631 ----- RESID 227 (R): 3.257 ----- -0.034 -4.082 -1.485 ----- RESID 228 (T): 6.757 ----- 2.882 1.033 -4.258 ----- RESID 229 (L): 1.464 ----- 1.278 2.272 1.170 ----- RESID 230 (F): -0.616 ----- -0.151 -1.786 3.806 ----- RESID 231 (K): 1.471 ----- -1.057 0.189 -1.796 ----- RESID 232 (A): 0.158 ----- 0.384 0.854 3.948 ----- RESID 233 (H): 5.022 ----- 2.563 1.436 -1.067 ----- RESID 234 (M): 0.762 ----- -0.119 2.384 -0.440 ----- RESID 235 (G): -0.447 ----- -1.621 -2.736 ----- ----- RESID 236 (Q): -4.383 ----- -4.181 -2.426 -2.596 ----- RESID 237 (K): 2.998 ----- 0.806 -3.828 -1.191 ----- RESID 238 (H): 9.856 ----- -0.105 -2.236 -2.245 ----- RESID 239 (R): -0.691 ----- -1.135 -2.535 2.048 ----- RESID 240 (A): -1.042 ----- -3.578 -2.335 -1.126 ----- RESID 241 (M): 2.324 ----- -2.614 -0.205 0.263 ----- RESID 242 (R): 2.180 ----- -1.622 -2.960 0.715 ----- RESID 243 (V): -0.734 ----- -2.802 0.021 -1.277 ----- RESID 244 (I): -1.322 ----- -2.784 -0.083 -0.122 ----- RESID 245 (F): -1.498 ----- -2.160 -1.490 1.427 ----- RESID 246 (A): -0.460 ----- -1.556 -2.287 -1.174 ----- RESID 247 (V): 5.252 ----- -2.307 1.432 -1.029 ----- RESID 248 (V): 2.475 ----- -0.923 -1.390 -0.301 ----- RESID 249 (L): -0.333 ----- -3.017 -1.786 -0.733 ----- RESID 250 (I): 1.425 ----- -1.159 -0.690 -0.029 ----- RESID 251 (F): 8.481 ----- -1.288 -0.109 ----- ----- RESID 252 (L): 0.351 ----- -2.090 -0.911 -0.527 ----- RESID 253 (L): -0.125 ----- -1.436 -2.336 -0.977 ----- RESID 254 (C): 3.844 ----- -0.233 -1.154 -0.537 ----- RESID 255 (W): -2.613 ----- 1.593 -1.907 0.500 ----- RESID 256 (L): 1.337 ----- 1.956 -4.521 0.974 ----- RESID 258 (Y): 4.566 ----- 1.756 -3.231 3.974 ----- RESID 259 (N): 5.374 ----- -4.111 -1.700 0.521 ----- RESID 260 (L): 1.543 ----- -3.205 -2.546 -2.657 ----- RESID 261 (V): 0.177 ----- -2.670 -0.918 -2.148 ----- RESID 262 (L): 0.497 ----- -1.361 -2.270 -1.276 ----- RESID 263 (L): 4.713 ----- -3.254 -2.375 -0.482 ----- RESID 264 (A): 0.637 ----- -4.895 -2.145 -1.878 ----- RESID 265 (D): 8.350 ----- -7.637 -0.554 ----- ----- RESID 266 (T): 5.123 ----- -1.365 -4.830 ----- ----- RESID 267 (L): 2.671 ----- -1.284 -0.219 -1.868 ----- RESID 268 (M): 1.023 ----- 1.451 3.193 1.352 ----- RESID 269 (R): -3.042 ----- -2.042 -1.411 0.295 ----- RESID 270 (T): 11.881 ----- 1.694 0.500 ----- ----- RESID 271 (Q): 1.721 ----- 0.973 2.846 ----- ----- RESID 272 (V): 2.428 ----- 0.123 -0.237 4.766 ----- RESID 273 (I): -1.949 ----- 3.009 1.739 -3.295 ----- RESID 274 (Q): 1.114 ----- 0.942 -0.352 ----- ----- RESID 275 (E): 8.217 ----- 1.545 -0.324 -0.721 ----- RESID 276 (S): -2.455 ----- ----- 0.225 0.262 ----- RESID 277 (C): -2.832 ----- -1.835 -6.895 -1.211 ----- RESID 278 (E): 1.245 ----- -3.940 -1.214 -0.409 ----- RESID 279 (R): 3.816 ----- -2.076 -2.901 -0.565 ----- RESID 280 (R): 5.199 ----- -0.794 -2.505 -1.997 ----- RESID 281 (N): 3.507 ----- -3.088 -3.902 -1.230 ----- RESID 282 (N): 2.212 ----- -0.889 -0.757 0.410 ----- RESID 283 (I): 1.078 ----- -1.396 1.561 -0.715 ----- RESID 284 (G): 4.051 ----- 1.224 -4.025 ----- ----- RESID 286 (A): 1.360 ----- -1.197 -0.986 -1.805 ----- RESID 287 (L): 7.171 ----- -2.234 -1.712 -1.743 ----- RESID 288 (D): -2.433 ----- -1.401 -0.795 ----- ----- RESID 289 (A): 3.459 ----- -2.077 -2.246 -1.448 ----- RESID 290 (T): 1.575 ----- 0.607 -1.933 ----- ----- RESID 291 (E): -2.081 ----- -1.720 -1.777 0.016 ----- RESID 292 (I): 3.329 ----- -2.139 -0.587 -0.948 ----- RESID 293 (L): 2.786 ----- -3.554 -2.050 -1.152 ----- RESID 294 (G): 0.735 ----- -2.541 -1.917 ----- ----- RESID 295 (F): -0.560 ----- 0.597 -0.627 ----- ----- RESID 296 (L): 1.532 ----- -2.469 -0.254 0.624 ----- RESID 297 (H): 1.903 ----- 0.917 0.056 0.390 ----- RESID 298 (S): 10.022 ----- 3.243 4.617 -0.699 ----- RESID 299 (C): 2.785 ----- 1.632 -0.373 -3.119 ----- RESID 300 (L): -0.280 ----- 0.866 -2.596 -0.276 ----- RESID 301 (N): -0.685 ----- 2.501 -4.135 -0.142 ----- RESID 302 (P): ----- ----- ----- -6.859 ----- ----- RESID 303 (I): 1.484 ----- -4.503 1.143 -1.247 ----- RESID 304 (I): 0.473 ----- -2.358 1.526 -0.553 ----- RESID 305 (Y): 0.480 ----- -2.776 -4.726 0.574 ----- RESID 306 (A): 2.264 ----- -7.090 0.078 -2.116 ----- RESID 307 (F): 2.838 ----- -1.664 -0.902 1.478 ----- RESID 308 (I): 3.008 ----- -0.499 1.372 -1.520 ----- RESID 309 (G): 3.522 ----- 0.386 -3.622 ----- ----- RESID 310 (Q): 2.548 ----- -0.284 1.532 1.688 ----- RESID 311 (N): 1.989 ----- -1.060 0.305 1.337 ----- RESID 312 (F): 1.204 ----- -2.421 -2.905 -1.736 ----- RESID 313 (R): 2.611 ----- -3.801 -3.690 -0.530 ----- RESID 314 (H): 6.306 ----- -1.220 0.488 0.443 ----- RESID 315 (G): 0.803 ----- -1.495 0.335 ----- ----- RESID 316 (F): 3.178 ----- -1.408 -2.747 ----- ----- RESID 317 (L): 2.414 ----- -2.017 -1.664 -1.089 ----- RESID 318 (K): 1.700 ----- -1.738 -3.461 -2.162 ----- RESID 319 (I): 1.707 ----- -1.917 0.803 -1.730 ----- RESID 320 (L): 2.726 ----- -1.795 -1.372 -1.550 ----- RESID 321 (A): 2.858 ----- -1.209 0.938 -1.129 ----- RESID 322 (M): 5.896 ----- -3.451 -0.718 ----- ----- RESID 323 (H): 6.546 ----- -2.961 -1.004 2.192 ----- DATA CS_STAT_INFO N RMS: 3.835 ppm Count: 283 Average Difference: -1.890 +/- 3.343 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 2.649 ppm Count: 278 Average Difference: 1.358 +/- 2.279 ppm DATA CS_STAT_INFO CA RMS: 2.411 ppm Count: 287 Average Difference: 1.093 +/- 2.153 ppm DATA CS_STAT_INFO CB RMS: 2.578 ppm Count: 226 Average Difference: 0.526 +/- 2.529 ppm DATA CS_STAT_INFO HN RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm ############################################################################ For conformer 4: Atom Original Corrected SPARTA Difference RESID 30 (C): N 122.700 122.700 121.465 1.235 RESID 30 (C): C 177.500 177.500 176.063 1.437 RESID 30 (C): CA 56.000 56.000 58.129 -2.128 RESID 30 (C): CB 40.300 40.300 26.153 14.147 RESID 31 (M): N 117.900 117.900 116.572 1.328 RESID 31 (M): C 173.200 173.200 176.413 -3.213 RESID 31 (M): CA 58.150 58.150 55.939 2.211 RESID 31 (M): CB 31.100 31.100 31.973 -0.873 RESID 32 (L): N 125.300 125.300 120.026 5.274 RESID 32 (L): C 173.500 173.500 177.819 -4.319 RESID 32 (L): CA 53.780 53.780 56.631 -2.851 RESID 32 (L): CB 39.660 39.660 41.836 -2.176 RESID 33 (E): N 129.900 129.900 117.786 12.114 RESID 33 (E): C 173.200 173.200 176.325 -3.125 RESID 33 (E): CA 55.900 55.900 56.365 -0.465 RESID 33 (E): CB 31.000 31.000 30.200 0.800 RESID 34 (T): N 113.900 113.900 113.695 0.205 RESID 34 (T): C 172.500 172.500 175.285 -2.785 RESID 34 (T): CA 63.500 63.500 60.793 2.707 RESID 34 (T): CB 67.200 67.200 69.975 -2.776 RESID 35 (E): N 125.300 125.300 123.649 1.651 RESID 35 (E): C 169.500 169.500 177.423 -7.923 RESID 35 (E): CA 55.840 55.840 58.559 -2.719 RESID 35 (E): CB 28.120 28.120 29.748 -1.628 RESID 36 (T): N 106.700 106.700 113.561 -6.861 RESID 36 (T): C 174.200 174.200 175.203 -1.003 RESID 36 (T): CA 65.000 65.000 64.265 0.735 RESID 37 (L): N 120.100 120.100 117.985 2.115 RESID 37 (L): C 177.500 177.500 177.493 0.007 RESID 37 (L): CA 56.400 56.400 55.008 1.392 RESID 37 (L): CB 39.800 39.800 38.839 0.961 RESID 38 (N): N 118.400 118.400 118.045 0.355 RESID 38 (N): C 177.600 177.600 176.663 0.937 RESID 38 (N): CA 55.900 55.900 56.382 -0.482 RESID 38 (N): CB 40.870 40.870 38.551 2.319 RESID 39 (K): N 121.500 121.500 120.005 1.495 RESID 39 (K): C 174.300 174.300 178.521 -4.221 RESID 39 (K): CA 56.700 56.700 59.145 -2.445 RESID 39 (K): CB 29.900 29.900 32.055 -2.155 RESID 40 (Y): N 120.100 120.100 119.184 0.916 RESID 40 (Y): C 176.800 176.800 177.579 -0.779 RESID 40 (Y): CA 58.200 58.200 60.545 -2.345 RESID 40 (Y): CB 40.000 40.000 38.161 1.839 RESID 41 (V): N 120.700 120.700 117.777 2.923 RESID 41 (V): C 176.000 176.000 177.438 -1.438 RESID 41 (V): CA 65.000 65.000 66.357 -1.357 RESID 41 (V): CB 29.750 29.750 31.407 -1.657 RESID 42 (V): N 121.200 121.200 120.983 0.217 RESID 42 (V): C 176.200 176.200 178.113 -1.913 RESID 42 (V): CA 65.560 65.560 66.589 -1.029 RESID 42 (V): CB 29.700 29.700 31.226 -1.526 RESID 43 (I): N 120.900 120.900 120.047 0.853 RESID 43 (I): C 177.000 177.000 177.816 -0.816 RESID 43 (I): CA 64.300 64.300 65.683 -1.383 RESID 43 (I): CB 36.600 36.600 37.857 -1.257 RESID 44 (I): N 120.500 120.500 120.265 0.235 RESID 44 (I): C 175.000 175.000 177.534 -2.534 RESID 44 (I): CA 59.700 59.700 65.719 -6.019 RESID 44 (I): CB 37.000 37.000 37.334 -0.334 RESID 45 (A): N 121.600 121.600 122.598 -0.998 RESID 45 (A): C 175.700 175.700 179.746 -4.046 RESID 45 (A): CA 52.700 52.700 55.509 -2.809 RESID 45 (A): CB 16.600 16.600 17.993 -1.393 RESID 46 (Y): N 120.400 120.400 119.462 0.938 RESID 46 (Y): C 175.400 175.400 178.206 -2.806 RESID 46 (Y): CA 58.530 58.530 60.114 -1.584 RESID 46 (Y): CB 39.850 39.850 37.791 2.059 RESID 47 (A): N 124.700 124.700 122.705 1.995 RESID 47 (A): C 174.800 174.800 179.694 -4.894 RESID 47 (A): CA 53.800 53.800 55.573 -1.773 RESID 47 (A): CB 15.530 15.530 18.568 -3.038 RESID 48 (L): N 117.700 117.700 119.734 -2.034 RESID 48 (L): C 177.400 177.400 178.668 -1.268 RESID 48 (L): CA 56.860 56.860 58.117 -1.257 RESID 49 (V): N 118.400 118.400 120.165 -1.765 RESID 49 (V): C 181.100 181.100 178.145 2.955 RESID 49 (V): CA 67.800 67.800 66.328 1.472 RESID 49 (V): CB 29.900 29.900 31.195 -1.295 RESID 50 (F): N 124.700 124.700 116.440 8.260 RESID 50 (F): C 171.900 171.900 178.116 -6.216 RESID 50 (F): CA 61.600 61.600 61.075 0.525 RESID 50 (F): CB 42.620 42.620 38.351 4.269 RESID 51 (L): N 125.600 125.600 121.794 3.806 RESID 51 (L): C 176.600 176.600 178.006 -1.406 RESID 51 (L): CA 55.850 55.850 58.682 -2.832 RESID 51 (L): CB 40.220 40.220 41.807 -1.587 RESID 52 (L): N 122.800 122.800 118.381 4.419 RESID 52 (L): C 173.700 173.700 178.865 -5.165 RESID 52 (L): CA 56.300 56.300 59.205 -2.905 RESID 52 (L): CB 39.200 39.200 41.097 -1.897 RESID 53 (S): N 118.700 118.700 113.968 4.732 RESID 53 (S): C 173.000 173.000 176.755 -3.755 RESID 53 (S): CA 58.200 58.200 60.988 -2.788 RESID 54 (L): N 123.500 123.500 125.001 -1.501 RESID 54 (L): C 176.800 176.800 178.317 -1.517 RESID 54 (L): CA 56.400 56.400 58.412 -2.012 RESID 54 (L): CB 40.000 40.000 41.972 -1.972 RESID 55 (L): N 124.600 124.600 117.881 6.719 RESID 55 (L): C 177.200 177.200 178.540 -1.340 RESID 55 (L): CA 56.000 56.000 57.607 -1.607 RESID 55 (L): CB 40.000 40.000 41.607 -1.607 RESID 56 (G): N 109.600 109.600 105.433 4.167 RESID 56 (G): C 174.800 174.800 175.189 -0.389 RESID 56 (G): CA 47.400 47.400 47.240 0.160 RESID 57 (N): N 118.200 118.200 120.006 -1.806 RESID 57 (N): C 176.900 176.900 178.000 -1.100 RESID 57 (N): CA 55.700 55.700 56.030 -0.330 RESID 57 (N): CB 39.300 39.300 37.608 1.692 RESID 58 (S): N 111.300 111.300 116.581 -5.281 RESID 58 (S): C 180.100 180.100 176.204 3.896 RESID 58 (S): CA 59.900 59.900 61.507 -1.607 RESID 58 (S): CB 63.300 63.300 62.756 0.544 RESID 59 (L): N 121.100 121.100 122.101 -1.001 RESID 59 (L): C 177.400 177.400 178.908 -1.508 RESID 59 (L): CA 56.150 56.150 58.039 -1.889 RESID 59 (L): CB 41.000 41.000 41.176 -0.176 RESID 60 (V): N 119.300 119.300 119.420 -0.120 RESID 60 (V): C 175.200 175.200 178.923 -3.723 RESID 60 (V): CA 65.400 65.400 65.969 -0.569 RESID 60 (V): CB 29.500 29.500 30.815 -1.315 RESID 61 (M): N 118.900 118.900 118.544 0.356 RESID 61 (M): C 176.500 176.500 178.891 -2.391 RESID 61 (M): CA 55.840 55.840 57.765 -1.925 RESID 62 (L): N 122.100 122.100 119.171 2.929 RESID 62 (L): C 177.700 177.700 179.205 -1.505 RESID 62 (L): CA 56.160 56.160 57.610 -1.450 RESID 62 (L): CB 39.110 39.110 41.699 -2.589 RESID 63 (V): N 121.100 121.100 119.767 1.333 RESID 63 (V): CA 64.850 64.850 66.574 -1.724 RESID 63 (V): CB 29.600 29.600 32.082 -2.482 RESID 64 (I): N 121.000 121.000 118.118 2.882 RESID 64 (I): C 175.100 175.100 179.141 -4.041 RESID 64 (I): CA 64.400 64.400 64.510 -0.110 RESID 64 (I): CB 36.600 36.600 36.940 -0.340 RESID 65 (L): N 119.000 119.000 122.113 -3.113 RESID 65 (L): C 173.800 173.800 177.700 -3.900 RESID 65 (L): CA 56.200 56.200 57.461 -1.261 RESID 65 (L): CB 39.300 39.300 41.607 -2.307 RESID 66 (Y): N 120.200 120.200 113.646 6.554 RESID 66 (Y): C 176.700 176.700 175.093 1.607 RESID 66 (Y): CA 58.340 58.340 57.994 0.346 RESID 66 (Y): CB 40.000 40.000 38.274 1.726 RESID 67 (S): N 116.700 116.700 116.321 0.379 RESID 67 (S): C 175.400 175.400 175.782 -0.382 RESID 67 (S): CA 60.000 60.000 57.198 2.802 RESID 67 (S): CB 62.000 62.000 64.147 -2.147 RESID 68 (R): N 121.500 121.500 126.048 -4.548 RESID 68 (R): C 175.300 175.300 177.204 -1.904 RESID 68 (R): CA 60.400 60.400 58.284 2.116 RESID 69 (V): N 120.600 120.600 118.205 2.395 RESID 69 (V): C 174.600 174.600 175.546 -0.946 RESID 69 (V): CA 65.800 65.800 62.164 3.636 RESID 69 (V): CB 29.850 29.850 31.575 -1.725 RESID 70 (G): N 110.700 110.700 107.700 3.000 RESID 70 (G): C 174.400 174.400 174.397 0.003 RESID 70 (G): CA 41.700 41.700 44.617 -2.917 RESID 71 (R): N 122.900 122.900 121.147 1.753 RESID 71 (R): C 176.500 176.500 175.038 1.462 RESID 71 (R): CA 56.800 56.800 54.100 2.700 RESID 71 (R): CB 29.900 29.900 27.752 2.148 RESID 72 (S): N 117.300 117.300 115.901 1.399 RESID 72 (S): C 174.300 174.300 175.235 -0.935 RESID 72 (S): CA 57.800 57.800 56.677 1.123 RESID 73 (V): N 120.400 120.400 117.294 3.106 RESID 73 (V): C 175.700 175.700 177.234 -1.534 RESID 73 (V): CA 66.100 66.100 65.146 0.954 RESID 73 (V): CB 29.650 29.650 31.576 -1.926 RESID 74 (T): N 117.300 117.300 114.651 2.649 RESID 74 (T): C 175.800 175.800 175.599 0.201 RESID 74 (T): CA 64.000 64.000 64.884 -0.884 RESID 75 (D): N 122.900 122.900 123.370 -0.470 RESID 75 (D): C 176.500 176.500 177.827 -1.327 RESID 75 (D): CA 56.000 56.000 57.861 -1.861 RESID 75 (D): CB 40.300 40.300 40.655 -0.355 RESID 76 (V): N 120.800 120.800 118.545 2.255 RESID 76 (V): C 175.600 175.600 177.149 -1.549 RESID 76 (V): CA 66.400 66.400 66.382 0.018 RESID 76 (V): CB 30.400 30.400 31.515 -1.115 RESID 77 (Y): N 123.800 123.800 119.138 4.662 RESID 77 (Y): C 175.700 175.700 178.154 -2.454 RESID 77 (Y): CA 60.560 60.560 61.861 -1.302 RESID 77 (Y): CB 37.000 37.000 37.635 -0.635 RESID 78 (L): N 121.000 121.000 122.111 -1.111 RESID 78 (L): C 176.500 176.500 178.409 -1.909 RESID 78 (L): CA 55.900 55.900 57.467 -1.567 RESID 78 (L): CB 40.000 40.000 41.204 -1.204 RESID 79 (L): N 126.200 126.200 120.185 6.015 RESID 79 (L): C 176.000 176.000 178.682 -2.682 RESID 79 (L): CA 55.800 55.800 58.250 -2.450 RESID 79 (L): CB 40.240 40.240 40.817 -0.577 RESID 80 (N): N 121.300 121.300 117.945 3.355 RESID 80 (N): C 178.100 178.100 177.695 0.405 RESID 80 (N): CA 56.500 56.500 56.342 0.158 RESID 80 (N): CB 39.100 39.100 38.747 0.353 RESID 81 (L): N 124.100 124.100 121.816 2.284 RESID 81 (L): C 176.300 176.300 178.497 -2.197 RESID 81 (L): CA 56.000 56.000 58.288 -2.288 RESID 81 (L): CB 38.100 38.100 41.670 -3.571 RESID 82 (A): N 124.700 124.700 121.635 3.065 RESID 82 (A): C 177.500 177.500 179.587 -2.087 RESID 82 (A): CA 53.400 53.400 55.159 -1.759 RESID 82 (A): CB 18.300 18.300 18.123 0.177 RESID 83 (L): N 121.400 121.400 120.013 1.387 RESID 83 (L): C 176.500 176.500 178.749 -2.249 RESID 83 (L): CA 55.900 55.900 57.948 -2.048 RESID 83 (L): CB 40.200 40.200 41.976 -1.776 RESID 84 (A): N 123.900 123.900 120.967 2.933 RESID 84 (A): C 176.600 176.600 179.348 -2.748 RESID 84 (A): CA 54.400 54.400 55.160 -0.760 RESID 84 (A): CB 16.600 16.600 17.564 -0.964 RESID 85 (D): N 120.300 120.300 119.726 0.574 RESID 85 (D): C 178.400 178.400 178.618 -0.218 RESID 85 (D): CA 56.330 56.330 57.105 -0.775 RESID 85 (D): CB 39.850 39.850 41.183 -1.333 RESID 86 (L): N 122.700 122.700 120.575 2.125 RESID 86 (L): C 173.600 173.600 178.825 -5.225 RESID 86 (L): CA 56.300 56.300 58.571 -2.271 RESID 86 (L): CB 39.500 39.500 41.919 -2.419 RESID 87 (L): N 122.000 122.000 120.122 1.878 RESID 87 (L): C 175.600 175.600 178.927 -3.327 RESID 87 (L): CA 56.150 56.150 58.428 -2.278 RESID 87 (L): CB 40.000 40.000 41.761 -1.761 RESID 88 (F): N 119.200 119.200 118.435 0.765 RESID 88 (F): C 173.900 173.900 178.834 -4.934 RESID 88 (F): CA 55.900 55.900 60.086 -4.186 RESID 88 (F): CB 40.400 40.400 37.637 2.763 RESID 89 (A): N 126.600 126.600 122.761 3.839 RESID 89 (A): C 172.900 172.900 179.861 -6.961 RESID 89 (A): CA 53.100 53.100 55.021 -1.921 RESID 89 (A): CB 17.000 17.000 18.336 -1.336 RESID 90 (L): N 119.700 119.700 117.683 2.017 RESID 90 (L): C 172.500 172.500 177.860 -5.360 RESID 90 (L): CA 56.500 56.500 57.906 -1.406 RESID 90 (L): CB 39.900 39.900 42.164 -2.264 RESID 91 (T): N 115.300 115.300 108.815 6.485 RESID 91 (T): C 176.400 176.400 176.248 0.152 RESID 91 (T): CA 60.000 60.000 63.898 -3.898 RESID 91 (T): CB 69.500 69.500 69.674 -0.174 RESID 92 (L): N 123.000 123.000 124.512 -1.512 RESID 92 (L): C 175.400 175.400 175.256 0.144 RESID 92 (L): CA 55.600 55.600 59.379 -3.779 RESID 92 (L): CB 40.800 40.800 39.527 1.273 RESID 94 (I): N 121.000 121.000 115.820 5.180 RESID 94 (I): C 176.800 176.800 177.905 -1.105 RESID 94 (I): CA 64.300 64.300 64.325 -0.025 RESID 94 (I): CB 36.600 36.600 37.533 -0.933 RESID 95 (W): N 120.500 120.500 122.079 -1.579 RESID 95 (W): C 176.700 176.700 178.379 -1.679 RESID 95 (W): CA 58.100 58.100 60.591 -2.491 RESID 95 (W): CB 29.000 29.000 29.125 -0.125 RESID 96 (A): N 126.300 126.300 121.939 4.361 RESID 96 (A): C 178.300 178.300 178.508 -0.208 RESID 96 (A): CA 52.400 52.400 54.414 -2.014 RESID 96 (A): CB 20.400 20.400 17.612 2.788 RESID 97 (A): N 123.200 123.200 119.807 3.393 RESID 97 (A): C 178.000 178.000 179.840 -1.840 RESID 97 (A): CA 53.600 53.600 55.101 -1.501 RESID 97 (A): CB 16.700 16.700 18.064 -1.364 RESID 98 (S): N 109.400 109.400 111.969 -2.569 RESID 98 (S): CA 63.000 63.000 61.474 1.526 RESID 99 (K): N 121.500 121.500 121.753 -0.253 RESID 99 (K): C 177.300 177.300 178.578 -1.278 RESID 99 (K): CA 56.100 56.100 57.739 -1.639 RESID 99 (K): CB 30.700 30.700 33.245 -2.545 RESID 100 (V): N 121.200 121.200 120.652 0.548 RESID 100 (V): C 176.300 176.300 177.669 -1.369 RESID 100 (V): CA 64.900 64.900 65.800 -0.900 RESID 100 (V): CB 29.850 29.850 31.940 -2.090 RESID 101 (N): N 116.700 116.700 118.296 -1.596 RESID 101 (N): C 173.800 173.800 176.614 -2.814 RESID 101 (N): CA 52.300 52.300 54.574 -2.274 RESID 101 (N): CB 39.700 39.700 38.653 1.048 RESID 102 (G): N 109.500 109.500 106.432 3.068 RESID 102 (G): C 174.600 174.600 173.747 0.853 RESID 102 (G): CA 45.900 45.900 44.935 0.965 RESID 103 (W): N 117.700 117.700 119.429 -1.729 RESID 103 (W): C 173.900 173.900 173.487 0.413 RESID 103 (W): CA 58.000 58.000 54.247 3.753 RESID 103 (W): CB 31.000 31.000 29.947 1.053 RESID 104 (I): N 124.300 124.300 117.196 7.104 RESID 104 (I): C 175.700 175.700 173.520 2.180 RESID 104 (I): CA 60.400 60.400 58.322 2.078 RESID 104 (I): CB 35.600 35.600 39.808 -4.208 RESID 105 (F): N 121.100 121.100 122.186 -1.086 RESID 105 (F): C 177.200 177.200 173.916 3.284 RESID 105 (F): CA 55.700 55.700 56.920 -1.220 RESID 105 (F): CB 40.500 40.500 41.143 -0.643 RESID 106 (G): N 110.000 110.000 114.453 -4.453 RESID 106 (G): C 174.500 174.500 172.399 2.101 RESID 106 (G): CA 41.900 41.900 43.519 -1.619 RESID 107 (T): N 114.700 114.700 113.656 1.044 RESID 107 (T): C 173.500 173.500 174.958 -1.458 RESID 107 (T): CA 60.500 60.500 60.718 -0.218 RESID 107 (T): CB 69.700 69.700 69.009 0.691 RESID 108 (F): N 124.200 124.200 121.906 2.294 RESID 108 (F): C 173.500 173.500 176.902 -3.402 RESID 108 (F): CA 60.000 60.000 58.923 1.077 RESID 108 (F): CB 37.030 37.030 36.928 0.102 RESID 109 (L): N 123.200 123.200 119.764 3.436 RESID 109 (L): C 176.000 176.000 178.226 -2.226 RESID 109 (L): CA 55.500 55.500 58.470 -2.970 RESID 109 (L): CB 40.900 40.900 39.938 0.962 RESID 110 (C): N 117.600 117.600 117.991 -0.391 RESID 110 (C): C 176.700 176.700 177.798 -1.098 RESID 110 (C): CA 55.700 55.700 61.558 -5.858 RESID 110 (C): CB 39.400 39.400 25.666 13.734 RESID 111 (K): N 121.600 121.600 120.080 1.520 RESID 111 (K): C 176.400 176.400 176.962 -0.562 RESID 111 (K): CA 57.300 57.300 58.939 -1.639 RESID 111 (K): CB 30.000 30.000 32.623 -2.623 RESID 112 (V): N 123.600 123.600 116.997 6.603 RESID 112 (V): C 174.100 174.100 177.671 -3.571 RESID 112 (V): CA 68.000 68.000 64.481 3.519 RESID 113 (V): N 127.800 127.800 121.218 6.582 RESID 113 (V): C 169.600 169.600 178.359 -8.759 RESID 113 (V): CA 68.800 68.800 67.398 1.402 RESID 114 (S): N 117.500 117.500 114.638 2.862 RESID 114 (S): C 175.200 175.200 176.192 -0.992 RESID 114 (S): CA 60.200 60.200 61.099 -0.899 RESID 114 (S): CB 61.890 61.890 62.935 -1.045 RESID 115 (L): N 120.000 120.000 123.205 -3.205 RESID 115 (L): C 173.700 173.700 178.089 -4.389 RESID 115 (L): CA 55.900 55.900 58.000 -2.100 RESID 115 (L): CB 40.600 40.600 41.319 -0.719 RESID 116 (L): N 126.000 126.000 114.721 11.279 RESID 116 (L): C 177.800 177.800 178.873 -1.073 RESID 116 (L): CA 55.900 55.900 58.000 -2.100 RESID 116 (L): CB 40.250 40.250 40.724 -0.474 RESID 117 (K): N 120.900 120.900 120.534 0.366 RESID 117 (K): C 173.200 173.200 178.669 -5.469 RESID 117 (K): CA 57.000 57.000 59.444 -2.444 RESID 117 (K): CB 29.800 29.800 31.651 -1.851 RESID 118 (E): N 118.900 118.900 119.205 -0.305 RESID 118 (E): C 177.100 177.100 179.064 -1.964 RESID 118 (E): CA 55.300 55.300 59.562 -4.262 RESID 118 (E): CB 28.000 28.000 29.672 -1.672 RESID 119 (V): N 123.400 123.400 117.761 5.639 RESID 119 (V): C 173.600 173.600 177.661 -4.061 RESID 119 (V): CA 65.330 65.330 66.200 -0.870 RESID 119 (V): CB 29.250 29.250 31.920 -2.670 RESID 120 (N): N 120.300 120.300 119.107 1.193 RESID 120 (N): C 174.500 174.500 177.603 -3.103 RESID 120 (N): CA 55.800 55.800 56.496 -0.696 RESID 120 (N): CB 38.900 38.900 38.649 0.251 RESID 121 (F): N 123.600 123.600 121.184 2.416 RESID 121 (F): C 175.500 175.500 177.993 -2.493 RESID 121 (F): CA 60.500 60.500 62.029 -1.529 RESID 121 (F): CB 37.000 37.000 39.427 -2.427 RESID 122 (Y): N 120.500 120.500 119.349 1.151 RESID 122 (Y): C 176.100 176.100 177.637 -1.537 RESID 122 (Y): CA 60.900 60.900 60.632 0.268 RESID 122 (Y): CB 37.300 37.300 38.656 -1.356 RESID 123 (S): N 124.600 124.600 116.974 7.626 RESID 123 (S): C 173.900 173.900 176.599 -2.699 RESID 123 (S): CA 57.740 57.740 62.092 -4.352 RESID 123 (S): CB 59.870 59.870 62.605 -2.735 RESID 124 (G): N 107.700 107.700 108.939 -1.239 RESID 124 (G): C 171.000 171.000 175.773 -4.773 RESID 124 (G): CA 42.750 42.750 47.077 -4.327 RESID 125 (I): N 119.500 119.500 122.170 -2.670 RESID 125 (I): C 175.200 175.200 177.759 -2.559 RESID 125 (I): CA 62.950 62.950 64.302 -1.352 RESID 125 (I): CB 36.960 36.960 37.547 -0.587 RESID 126 (L): N 122.300 122.300 120.484 1.816 RESID 126 (L): C 173.600 173.600 178.386 -4.786 RESID 126 (L): CA 56.250 56.250 57.450 -1.200 RESID 127 (L): N 126.500 126.500 119.503 6.997 RESID 127 (L): C 176.100 176.100 179.009 -2.909 RESID 127 (L): CA 55.220 55.220 57.969 -2.749 RESID 127 (L): CB 41.670 41.670 41.356 0.313 RESID 128 (L): N 121.000 121.000 119.074 1.926 RESID 128 (L): C 175.600 175.600 177.802 -2.202 RESID 128 (L): CA 57.170 57.170 58.143 -0.973 RESID 128 (L): CB 40.300 40.300 41.642 -1.343 RESID 129 (A): N 125.800 125.800 122.093 3.707 RESID 129 (A): C 176.000 176.000 179.630 -3.630 RESID 129 (A): CA 52.970 52.970 54.939 -1.969 RESID 129 (A): CB 17.000 17.000 17.462 -0.462 RESID 130 (C): N 120.300 120.300 116.895 3.405 RESID 130 (C): C 177.000 177.000 177.153 -0.153 RESID 130 (C): CA 62.070 62.070 63.269 -1.199 RESID 130 (C): CB 29.880 29.880 27.119 2.761 RESID 131 (I): N 121.300 121.300 122.476 -1.176 RESID 131 (I): C 174.000 174.000 177.605 -3.605 RESID 131 (I): CA 63.080 63.080 65.226 -2.146 RESID 131 (I): CB 36.220 36.220 37.657 -1.437 RESID 132 (S): N 117.700 117.700 115.517 2.183 RESID 132 (S): C 175.100 175.100 176.833 -1.733 RESID 132 (S): CA 63.990 63.990 61.637 2.353 RESID 132 (S): CB 66.120 66.120 62.509 3.611 RESID 133 (V): N 129.800 129.800 122.642 7.158 RESID 133 (V): C 177.700 177.700 176.987 0.713 RESID 133 (V): CA 68.050 68.050 66.510 1.540 RESID 134 (D): N 124.000 124.000 118.775 5.225 RESID 134 (D): C 174.100 174.100 178.866 -4.766 RESID 134 (D): CA 57.500 57.500 56.946 0.554 RESID 134 (D): CB 40.400 40.400 40.455 -0.055 RESID 135 (R): N 124.200 124.200 120.300 3.900 RESID 135 (R): C 174.400 174.400 178.697 -4.297 RESID 135 (R): CA 58.420 58.420 58.568 -0.148 RESID 135 (R): CB 30.700 30.700 29.750 0.950 RESID 136 (Y): N 121.000 121.000 117.742 3.258 RESID 136 (Y): C 176.400 176.400 177.589 -1.189 RESID 136 (Y): CA 60.250 60.250 60.251 -0.001 RESID 136 (Y): CB 37.350 37.350 37.709 -0.359 RESID 137 (L): N 121.400 121.400 114.294 7.106 RESID 137 (L): C 173.700 173.700 177.863 -4.163 RESID 137 (L): CA 54.870 54.870 56.709 -1.839 RESID 137 (L): CB 41.670 41.670 41.231 0.439 RESID 138 (A): N 125.800 125.800 120.582 5.218 RESID 138 (A): C 176.100 176.100 177.969 -1.869 RESID 138 (A): CA 52.860 52.860 54.136 -1.276 RESID 138 (A): CB 17.270 17.270 20.028 -2.758 RESID 139 (I): N 120.000 120.000 116.785 3.215 RESID 139 (I): C 175.700 175.700 175.311 0.389 RESID 139 (I): CA 60.000 60.000 61.643 -1.643 RESID 139 (I): CB 30.290 30.290 39.597 -9.307 RESID 140 (V): N 118.700 118.700 118.527 0.173 RESID 140 (V): C 173.900 173.900 175.139 -1.239 RESID 140 (V): CA 61.920 61.920 61.025 0.895 RESID 140 (V): CB 30.900 30.900 32.823 -1.923 RESID 141 (H): N 117.200 117.200 123.189 -5.989 RESID 141 (H): C 177.900 177.900 173.412 4.488 RESID 141 (H): CA 58.860 58.860 56.126 2.734 RESID 141 (H): CB 30.090 30.090 29.407 0.683 RESID 142 (A): N 121.200 121.200 124.968 -3.768 RESID 142 (A): C 174.600 174.600 177.042 -2.442 RESID 142 (A): CA 53.170 53.170 52.146 1.024 RESID 142 (A): CB 16.580 16.580 18.603 -2.023 RESID 143 (T): N 118.000 118.000 119.553 -1.553 RESID 143 (T): C 177.000 177.000 174.558 2.442 RESID 143 (T): CA 62.520 62.520 64.627 -2.107 RESID 143 (T): CB 64.330 64.330 68.607 -4.277 RESID 144 (R): CA 57.250 57.250 56.508 0.742 RESID 144 (R): CB 30.340 30.340 31.118 -0.778 RESID 145 (T): N 119.700 119.700 111.039 8.661 RESID 145 (T): C 177.000 177.000 173.271 3.729 RESID 145 (T): CA 62.370 62.370 63.535 -1.165 RESID 145 (T): CB 64.120 64.120 68.709 -4.589 RESID 146 (L): N 127.900 127.900 121.699 6.201 RESID 146 (L): C 173.200 173.200 175.649 -2.449 RESID 146 (L): CA 55.790 55.790 54.333 1.457 RESID 146 (L): CB 40.570 40.570 41.704 -1.134 RESID 147 (T): N 124.000 124.000 114.116 9.884 RESID 147 (T): C 177.700 177.700 173.955 3.745 RESID 147 (T): CA 62.050 62.050 60.877 1.173 RESID 147 (T): CB 63.770 63.770 71.235 -7.465 RESID 148 (Q): N 122.800 122.800 121.734 1.066 RESID 148 (Q): C 176.700 176.700 176.760 -0.060 RESID 148 (Q): CA 53.470 53.470 56.350 -2.880 RESID 148 (Q): CB 29.310 29.310 29.826 -0.516 RESID 149 (K): N 120.900 120.900 123.997 -3.097 RESID 149 (K): C 175.900 175.900 178.189 -2.289 RESID 149 (K): CA 59.440 59.440 58.837 0.604 RESID 150 (R): N 122.200 122.200 118.808 3.392 RESID 150 (R): C 177.500 177.500 178.069 -0.569 RESID 150 (R): CA 56.700 56.700 59.383 -2.683 RESID 150 (R): CB 31.150 31.150 29.328 1.822 RESID 151 (H): N 117.300 117.300 115.799 1.501 RESID 151 (H): C 177.800 177.800 177.107 0.693 RESID 151 (H): CA 59.130 59.130 58.113 1.017 RESID 151 (H): CB 29.400 29.400 28.252 1.148 RESID 152 (L): N 120.400 120.400 120.989 -0.589 RESID 152 (L): C 176.800 176.800 178.369 -1.569 RESID 152 (L): CA 56.150 56.150 58.602 -2.452 RESID 152 (L): CB 39.810 39.810 41.748 -1.938 RESID 153 (V): N 121.500 121.500 118.450 3.050 RESID 153 (V): C 174.300 174.300 178.610 -4.310 RESID 153 (V): CA 61.240 61.240 65.994 -4.754 RESID 154 (K): N 117.000 117.000 121.745 -4.745 RESID 154 (K): C 175.300 175.300 178.604 -3.304 RESID 154 (K): CA 59.000 59.000 59.241 -0.241 RESID 155 (F): N 121.100 121.100 120.235 0.865 RESID 155 (F): C 176.600 176.600 177.488 -0.888 RESID 155 (F): CA 61.200 61.200 60.973 0.227 RESID 156 (V): N 123.800 123.800 119.965 3.835 RESID 156 (V): C 177.700 177.700 177.142 0.558 RESID 156 (V): CA 62.170 62.170 66.487 -4.317 RESID 156 (V): CB 33.400 33.400 31.410 1.990 RESID 157 (C): CA 58.260 58.260 63.136 -4.876 RESID 158 (L): N 122.900 122.900 121.146 1.754 RESID 158 (L): C 175.500 175.500 178.877 -3.377 RESID 158 (L): CA 55.750 55.750 58.939 -3.189 RESID 159 (G): N 104.900 104.900 106.288 -1.388 RESID 159 (G): C 176.200 176.200 176.222 -0.022 RESID 159 (G): CA 44.750 44.750 47.172 -2.422 RESID 160 (C): N 116.700 116.700 120.980 -4.280 RESID 160 (C): C 181.100 181.100 176.638 4.462 RESID 160 (C): CA 59.000 59.000 63.658 -4.659 RESID 160 (C): CB 29.130 29.130 26.831 2.299 RESID 161 (W): N 119.000 119.000 122.269 -3.269 RESID 161 (W): C 174.900 174.900 178.665 -3.765 RESID 161 (W): CA 55.880 55.880 61.123 -5.244 RESID 162 (G): N 108.300 108.300 106.035 2.265 RESID 162 (G): C 173.600 173.600 175.750 -2.150 RESID 162 (G): CA 45.100 45.100 47.611 -2.511 RESID 163 (L): N 120.200 120.200 121.763 -1.563 RESID 163 (L): C 173.500 173.500 178.598 -5.098 RESID 163 (L): CA 55.800 55.800 57.105 -1.305 RESID 163 (L): CB 39.850 39.850 41.850 -2.000 RESID 164 (S): N 117.200 117.200 114.989 2.211 RESID 164 (S): C 175.000 175.000 176.892 -1.892 RESID 164 (S): CA 55.600 55.600 61.599 -5.999 RESID 164 (S): CB 65.660 65.660 63.079 2.581 RESID 165 (M): N 121.200 121.200 122.562 -1.362 RESID 165 (M): C 175.500 175.500 177.831 -2.331 RESID 165 (M): CA 57.600 57.600 57.978 -0.378 RESID 165 (M): CB 30.000 30.000 32.473 -2.473 RESID 166 (N): N 120.200 120.200 118.545 1.655 RESID 166 (N): C 176.500 176.500 177.611 -1.111 RESID 166 (N): CA 56.080 56.080 56.013 0.067 RESID 166 (N): CB 38.940 38.940 38.155 0.785 RESID 167 (L): N 120.800 120.800 119.534 1.266 RESID 167 (L): C 177.200 177.200 177.556 -0.356 RESID 167 (L): CA 64.900 64.900 57.506 7.394 RESID 167 (L): CB 36.400 36.400 42.019 -5.619 RESID 168 (S): N 119.400 119.400 112.009 7.391 RESID 168 (S): C 174.100 174.100 176.795 -2.695 RESID 168 (S): CA 55.700 55.700 59.745 -4.045 RESID 168 (S): CB 57.600 57.600 64.272 -6.672 RESID 169 (L): N 122.900 122.900 124.672 -1.772 RESID 169 (L): C 177.500 177.500 176.279 1.221 RESID 169 (L): CA 56.460 56.460 58.933 -2.473 RESID 169 (L): CB 39.200 39.200 38.934 0.266 RESID 171 (F): N 118.600 118.600 117.189 1.411 RESID 171 (F): C 173.600 173.600 176.226 -2.626 RESID 171 (F): CA 61.700 61.700 60.226 1.474 RESID 172 (F): N 116.300 116.300 116.924 -0.624 RESID 172 (F): C 174.200 174.200 176.549 -2.349 RESID 172 (F): CA 59.500 59.500 60.449 -0.949 RESID 172 (F): CB 42.000 42.000 39.176 2.824 RESID 173 (L): N 120.400 120.400 118.464 1.936 RESID 173 (L): C 177.300 177.300 177.307 -0.007 RESID 173 (L): CA 54.730 54.730 57.776 -3.046 RESID 173 (L): CB 37.230 37.230 42.401 -5.171 RESID 174 (F): N 121.200 121.200 110.963 10.237 RESID 174 (F): C 177.000 177.000 175.453 1.547 RESID 174 (F): CA 59.000 59.000 58.001 0.999 RESID 174 (F): CB 43.220 43.220 41.214 2.006 RESID 175 (R): N 118.500 118.500 120.551 -2.051 RESID 175 (R): C 178.400 178.400 176.454 1.946 RESID 175 (R): CA 56.200 56.200 56.530 -0.330 RESID 176 (Q): N 122.100 122.100 117.980 4.120 RESID 176 (Q): C 178.000 178.000 174.024 3.976 RESID 176 (Q): CA 56.200 56.200 58.108 -1.907 RESID 177 (A): N 123.200 123.200 118.839 4.361 RESID 177 (A): C 176.900 176.900 175.241 1.659 RESID 177 (A): CA 54.300 54.300 51.873 2.427 RESID 177 (A): CB 16.870 16.870 20.402 -3.532 RESID 178 (Y): N 120.700 120.700 117.637 3.063 RESID 178 (Y): C 174.800 174.800 175.388 -0.588 RESID 178 (Y): CA 56.600 56.600 56.658 -0.058 RESID 178 (Y): CB 39.900 39.900 38.108 1.792 RESID 179 (H): N 119.600 119.600 120.887 -1.287 RESID 179 (H): C 176.600 176.600 173.802 2.798 RESID 179 (H): CA 58.220 58.220 55.206 3.014 RESID 179 (H): CB 31.560 31.560 30.699 0.861 RESID 181 (N): N 119.200 119.200 118.258 0.942 RESID 181 (N): C 172.500 172.500 174.346 -1.846 RESID 181 (N): CA 56.150 56.150 52.501 3.649 RESID 181 (N): CB 36.500 36.500 40.849 -4.349 RESID 182 (N): N 114.100 114.100 120.132 -6.032 RESID 182 (N): C 175.800 175.800 174.397 1.403 RESID 182 (N): CA 55.500 55.500 54.736 0.764 RESID 183 (S): N 117.200 117.200 117.896 -0.696 RESID 183 (S): C 175.600 175.600 172.988 2.612 RESID 183 (S): CA 55.400 55.400 57.608 -2.208 RESID 183 (S): CB 63.800 63.800 62.893 0.907 RESID 184 (S): N 117.000 117.000 116.280 0.720 RESID 184 (S): C 175.000 175.000 172.028 2.972 RESID 184 (S): CA 55.500 55.500 56.969 -1.469 RESID 184 (S): CB 63.800 63.800 65.516 -1.716 RESID 186 (V): N 119.500 119.500 121.988 -2.488 RESID 186 (V): C 175.300 175.300 175.404 -0.104 RESID 186 (V): CA 65.290 65.290 61.661 3.629 RESID 186 (V): CB 30.120 30.120 32.733 -2.613 RESID 187 (C): N 116.500 116.500 126.178 -9.678 RESID 187 (C): C 176.300 176.300 174.177 2.123 RESID 187 (C): CA 56.000 56.000 58.344 -2.344 RESID 187 (C): CB 40.000 40.000 27.955 12.045 RESID 188 (Y): N 121.300 121.300 122.162 -0.862 RESID 188 (Y): C 176.500 176.500 173.897 2.603 RESID 188 (Y): CA 55.860 55.860 55.163 0.697 RESID 188 (Y): CB 40.240 40.240 40.173 0.067 RESID 189 (E): N 122.000 122.000 120.148 1.852 RESID 189 (E): C 175.500 175.500 175.175 0.325 RESID 189 (E): CA 57.900 57.900 56.114 1.786 RESID 189 (E): CB 31.840 31.840 29.977 1.863 RESID 190 (V): N 123.500 123.500 117.643 5.857 RESID 190 (V): C 172.800 172.800 175.817 -3.017 RESID 190 (V): CA 65.670 65.670 62.548 3.122 RESID 190 (V): CB 29.200 29.200 31.774 -2.574 RESID 191 (L): N 129.900 129.900 126.838 3.062 RESID 191 (L): CA 55.500 55.500 56.578 -1.078 RESID 192 (G): N 107.500 107.500 101.782 5.718 RESID 192 (G): C 173.500 173.500 172.453 1.047 RESID 192 (G): CA 44.870 44.870 44.123 0.747 RESID 193 (N): N 116.600 116.600 116.915 -0.315 RESID 193 (N): CA 52.800 52.800 55.162 -2.362 RESID 193 (N): CB 39.560 39.560 38.829 0.731 RESID 194 (D): N 123.100 123.100 115.315 7.785 RESID 194 (D): C 172.800 172.800 176.356 -3.556 RESID 194 (D): CA 53.900 53.900 54.514 -0.614 RESID 194 (D): CB 39.700 39.700 39.183 0.517 RESID 195 (T): N 118.800 118.800 111.141 7.659 RESID 195 (T): C 175.500 175.500 175.343 0.157 RESID 195 (T): CA 63.000 63.000 65.031 -2.031 RESID 196 (A): N 123.300 123.300 123.369 -0.069 RESID 196 (A): C 173.000 173.000 178.142 -5.142 RESID 196 (A): CA 53.800 53.800 54.241 -0.441 RESID 196 (A): CB 17.240 17.240 18.560 -1.320 RESID 197 (K): N 121.700 121.700 114.715 6.985 RESID 197 (K): C 175.000 175.000 174.472 0.528 RESID 197 (K): CA 56.900 56.900 54.190 2.710 RESID 197 (K): CB 29.900 29.900 33.158 -3.258 RESID 198 (W): N 120.700 120.700 117.301 3.399 RESID 198 (W): C 177.600 177.600 176.996 0.604 RESID 198 (W): CA 59.300 59.300 57.407 1.893 RESID 198 (W): CB 29.700 29.700 25.593 4.107 RESID 199 (R): N 123.500 123.500 120.588 2.912 RESID 199 (R): C 178.100 178.100 178.148 -0.048 RESID 199 (R): CA 55.950 55.950 59.858 -3.908 RESID 199 (R): CB 31.060 31.060 30.080 0.980 RESID 200 (M): N 119.900 119.900 118.169 1.731 RESID 200 (M): C 175.400 175.400 177.874 -2.474 RESID 200 (M): CA 58.100 58.100 58.639 -0.539 RESID 200 (M): CB 31.100 31.100 31.516 -0.416 RESID 201 (V): N 123.700 123.700 117.390 6.310 RESID 201 (V): C 174.900 174.900 177.592 -2.692 RESID 201 (V): CA 65.700 65.700 65.375 0.325 RESID 201 (V): CB 29.180 29.180 30.733 -1.553 RESID 202 (L): N 124.000 124.000 121.394 2.606 RESID 202 (L): C 172.700 172.700 178.486 -5.786 RESID 202 (L): CA 54.800 54.800 58.105 -3.305 RESID 203 (R): N 124.000 124.000 118.820 5.180 RESID 203 (R): C 176.200 176.200 179.122 -2.922 RESID 203 (R): CA 55.800 55.800 59.329 -3.529 RESID 203 (R): CB 31.260 31.260 30.134 1.126 RESID 204 (I): N 120.500 120.500 119.315 1.185 RESID 204 (I): C 176.000 176.000 178.548 -2.548 RESID 204 (I): CA 64.700 64.700 62.608 2.092 RESID 204 (I): CB 36.400 36.400 37.029 -0.629 RESID 205 (L): N 123.400 123.400 121.443 1.957 RESID 205 (L): C 176.000 176.000 175.807 0.193 RESID 205 (L): CA 55.000 55.000 60.373 -5.373 RESID 206 (P): CA 62.500 62.500 66.216 -3.716 RESID 207 (H): N 113.500 113.500 118.230 -4.730 RESID 207 (H): C 175.200 175.200 177.671 -2.471 RESID 207 (H): CA 53.110 53.110 59.450 -6.340 RESID 207 (H): CB 30.000 30.000 30.453 -0.453 RESID 208 (T): N 122.100 122.100 116.801 5.299 RESID 208 (T): C 178.000 178.000 176.354 1.646 RESID 208 (T): CA 62.850 62.850 66.450 -3.600 RESID 209 (F): N 117.500 117.500 120.911 -3.411 RESID 209 (F): C 175.400 175.400 177.514 -2.114 RESID 209 (F): CA 59.850 59.850 60.099 -0.249 RESID 210 (G): N 111.700 111.700 107.061 4.639 RESID 210 (G): C 174.100 174.100 173.963 0.137 RESID 210 (G): CA 45.000 45.000 46.312 -1.312 RESID 211 (F): N 120.900 120.900 119.084 1.816 RESID 211 (F): C 175.000 175.000 177.039 -2.039 RESID 211 (F): CA 55.950 55.950 59.745 -3.796 RESID 212 (I): N 120.100 120.100 120.093 0.007 RESID 212 (I): C 175.900 175.900 178.286 -2.386 RESID 212 (I): CA 64.440 64.440 63.752 0.688 RESID 212 (I): CB 36.600 36.600 36.864 -0.264 RESID 213 (V): N 123.400 123.400 119.544 3.856 RESID 213 (V): C 175.300 175.300 175.222 0.078 RESID 213 (V): CA 65.750 65.750 68.245 -2.495 RESID 213 (V): CB 29.680 29.680 28.514 1.166 RESID 215 (L): N 125.300 125.300 119.211 6.089 RESID 215 (L): C 177.200 177.200 178.955 -1.755 RESID 215 (L): CA 55.700 55.700 58.347 -2.647 RESID 215 (L): CB 40.150 40.150 41.184 -1.034 RESID 216 (F): N 123.800 123.800 119.584 4.216 RESID 216 (F): C 179.200 179.200 177.557 1.643 RESID 216 (F): CA 60.650 60.650 61.121 -0.471 RESID 216 (F): CB 37.000 37.000 38.823 -1.823 RESID 217 (V): N 118.500 118.500 119.916 -1.416 RESID 217 (V): C 175.400 175.400 177.891 -2.491 RESID 217 (V): CA 65.660 65.660 66.150 -0.490 RESID 217 (V): CB 29.920 29.920 30.701 -0.781 RESID 218 (M): N 118.300 118.300 118.300 0.000 RESID 218 (M): C 174.400 174.400 178.464 -4.064 RESID 218 (M): CA 55.000 55.000 58.663 -3.663 RESID 218 (M): CB 31.650 31.650 31.079 0.571 RESID 219 (L): N 120.500 120.500 118.722 1.778 RESID 219 (L): C 177.600 177.600 179.237 -1.637 RESID 219 (L): CA 55.800 55.800 57.828 -2.028 RESID 219 (L): CB 40.810 40.810 40.504 0.306 RESID 220 (F): N 124.700 124.700 120.361 4.339 RESID 220 (F): C 176.000 176.000 178.001 -2.001 RESID 220 (F): CA 61.170 61.170 61.385 -0.215 RESID 221 (C): N 117.800 117.800 118.542 -0.742 RESID 221 (C): C 176.000 176.000 177.022 -1.022 RESID 221 (C): CA 61.870 61.870 62.389 -0.519 RESID 222 (Y): N 122.000 122.000 122.868 -0.868 RESID 222 (Y): C 178.400 178.400 178.659 -0.259 RESID 222 (Y): CA 57.500 57.500 60.680 -3.180 RESID 222 (Y): CB 37.150 37.150 37.520 -0.370 RESID 223 (G): N 110.300 110.300 106.051 4.249 RESID 223 (G): C 174.500 174.500 175.929 -1.429 RESID 223 (G): CA 41.700 41.700 46.930 -5.230 RESID 224 (F): N 120.100 120.100 120.341 -0.241 RESID 224 (F): C 176.500 176.500 177.250 -0.750 RESID 224 (F): CA 62.300 62.300 61.341 0.959 RESID 224 (F): CB 36.900 36.900 39.033 -2.133 RESID 225 (T): N 118.500 118.500 113.802 4.698 RESID 225 (T): C 175.000 175.000 176.695 -1.695 RESID 225 (T): CA 64.650 64.650 65.425 -0.775 RESID 226 (L): N 122.900 122.900 117.446 5.454 RESID 226 (L): C 177.200 177.200 177.938 -0.738 RESID 226 (L): CA 55.900 55.900 56.142 -0.242 RESID 226 (L): CB 39.400 39.400 39.961 -0.561 RESID 227 (R): N 121.000 121.000 119.787 1.213 RESID 227 (R): C 177.200 177.200 177.322 -0.122 RESID 227 (R): CA 54.600 54.600 58.516 -3.916 RESID 227 (R): CB 28.500 28.500 28.886 -0.386 RESID 228 (T): N 119.600 119.600 113.712 5.888 RESID 228 (T): C 176.900 176.900 175.177 1.723 RESID 228 (T): CA 64.750 64.750 63.959 0.791 RESID 228 (T): CB 66.560 66.560 70.644 -4.084 RESID 229 (L): N 125.600 125.600 124.401 1.199 RESID 229 (L): C 177.800 177.800 176.440 1.360 RESID 229 (L): CA 55.700 55.700 53.680 2.020 RESID 229 (L): CB 40.260 40.260 39.101 1.159 RESID 230 (F): N 121.900 121.900 123.946 -2.046 RESID 230 (F): C 176.900 176.900 177.006 -0.106 RESID 230 (F): CA 58.770 58.770 61.087 -2.317 RESID 230 (F): CB 41.940 41.940 39.425 2.515 RESID 231 (K): N 121.600 121.600 118.875 2.725 RESID 231 (K): C 174.900 174.900 175.478 -0.578 RESID 231 (K): CA 56.000 56.000 56.157 -0.157 RESID 231 (K): CB 30.900 30.900 32.663 -1.763 RESID 232 (A): N 123.500 123.500 123.002 0.498 RESID 232 (A): C 176.900 176.900 176.398 0.502 RESID 232 (A): CA 54.000 54.000 53.096 0.904 RESID 232 (A): CB 21.830 21.830 18.018 3.812 RESID 233 (H): N 123.500 123.500 118.545 4.955 RESID 233 (H): C 176.100 176.100 173.239 2.861 RESID 233 (H): CA 55.700 55.700 54.084 1.616 RESID 233 (H): CB 29.060 29.060 29.952 -0.892 RESID 234 (M): N 120.000 120.000 119.475 0.525 RESID 234 (M): C 176.700 176.700 177.392 -0.692 RESID 234 (M): CA 58.000 58.000 54.533 3.467 RESID 234 (M): CB 31.810 31.810 31.903 -0.093 RESID 235 (G): N 109.600 109.600 109.431 0.169 RESID 235 (G): C 173.300 173.300 174.803 -1.503 RESID 235 (G): CA 42.800 42.800 45.387 -2.587 RESID 236 (Q): N 116.800 116.800 120.174 -3.374 RESID 236 (Q): C 173.100 173.100 177.130 -4.030 RESID 236 (Q): CA 55.000 55.000 57.041 -2.041 RESID 236 (Q): CB 25.400 25.400 28.522 -3.122 RESID 237 (K): N 123.200 123.200 119.832 3.368 RESID 237 (K): C 178.100 178.100 177.564 0.536 RESID 237 (K): CA 56.000 56.000 58.873 -2.873 RESID 237 (K): CB 31.110 31.110 32.141 -1.031 RESID 238 (H): N 123.600 123.600 115.200 8.400 RESID 238 (H): C 177.000 177.000 176.574 0.426 RESID 238 (H): CA 54.720 54.720 56.644 -1.924 RESID 238 (H): CB 30.000 30.000 32.096 -2.096 RESID 239 (R): N 122.100 122.100 122.958 -0.858 RESID 239 (R): C 176.600 176.600 177.799 -1.199 RESID 239 (R): CA 55.650 55.650 59.500 -3.850 RESID 239 (R): CB 31.100 31.100 29.648 1.452 RESID 240 (A): N 121.800 121.800 122.279 -0.479 RESID 240 (A): C 175.900 175.900 179.510 -3.610 RESID 240 (A): CA 52.800 52.800 54.976 -2.176 RESID 240 (A): CB 16.700 16.700 17.897 -1.197 RESID 241 (M): N 120.200 120.200 118.384 1.816 RESID 241 (M): C 175.600 175.600 178.244 -2.644 RESID 241 (M): CA 58.100 58.100 57.516 0.584 RESID 241 (M): CB 31.810 31.810 31.636 0.174 RESID 242 (R): N 121.200 121.200 119.268 1.932 RESID 242 (R): C 177.400 177.400 178.807 -1.407 RESID 242 (R): CA 56.000 56.000 58.903 -2.903 RESID 242 (R): CB 30.910 30.910 29.632 1.278 RESID 243 (V): N 119.700 119.700 120.790 -1.090 RESID 243 (V): C 175.600 175.600 178.194 -2.594 RESID 243 (V): CA 65.470 65.470 66.684 -1.214 RESID 243 (V): CB 29.400 29.400 31.368 -1.968 RESID 244 (I): N 120.900 120.900 121.383 -0.483 RESID 244 (I): C 175.500 175.500 177.565 -2.065 RESID 244 (I): CA 64.600 64.600 65.843 -1.243 RESID 244 (I): CB 36.800 36.800 37.930 -1.130 RESID 245 (F): N 117.200 117.200 119.751 -2.551 RESID 245 (F): C 175.100 175.100 176.740 -1.640 RESID 245 (F): CA 60.200 60.200 61.262 -1.062 RESID 245 (F): CB 39.770 39.770 38.853 0.917 RESID 246 (A): N 122.300 122.300 122.332 -0.032 RESID 246 (A): C 177.700 177.700 179.116 -1.416 RESID 246 (A): CA 53.200 53.200 55.361 -2.161 RESID 246 (A): CB 16.880 16.880 18.046 -1.166 RESID 247 (V): N 121.000 121.000 116.331 4.669 RESID 247 (V): C 175.000 175.000 177.013 -2.013 RESID 247 (V): CA 66.450 66.450 64.580 1.870 RESID 247 (V): CB 29.550 29.550 30.477 -0.927 RESID 248 (V): N 122.300 122.300 119.991 2.309 RESID 248 (V): C 177.200 177.200 177.300 -0.100 RESID 248 (V): CA 64.860 64.860 66.531 -1.671 RESID 248 (V): CB 30.140 30.140 31.834 -1.694 RESID 249 (L): N 119.300 119.300 119.911 -0.611 RESID 249 (L): C 176.400 176.400 178.958 -2.558 RESID 249 (L): CA 56.180 56.180 57.824 -1.644 RESID 249 (L): CB 40.650 40.650 41.496 -0.846 RESID 250 (I): N 121.200 121.200 119.994 1.206 RESID 250 (I): C 176.900 176.900 177.842 -0.942 RESID 250 (I): CA 64.200 64.200 65.096 -0.896 RESID 250 (I): CB 36.700 36.700 37.376 -0.676 RESID 251 (F): N 125.100 125.100 116.905 8.195 RESID 251 (F): C 177.100 177.100 178.392 -1.292 RESID 251 (F): CA 59.800 59.800 60.072 -0.272 RESID 252 (L): N 118.800 118.800 119.485 -0.685 RESID 252 (L): C 176.700 176.700 178.815 -2.115 RESID 252 (L): CA 56.000 56.000 56.574 -0.574 RESID 252 (L): CB 40.700 40.700 41.253 -0.553 RESID 253 (L): N 121.800 121.800 121.718 0.082 RESID 253 (L): C 176.700 176.700 177.911 -1.211 RESID 253 (L): CA 56.220 56.220 58.364 -2.144 RESID 253 (L): CB 40.000 40.000 42.018 -2.018 RESID 254 (C): N 119.800 119.800 117.333 2.467 RESID 254 (C): C 176.800 176.800 176.454 0.346 RESID 254 (C): CA 58.300 58.300 60.512 -2.212 RESID 254 (C): CB 28.040 28.040 28.033 0.007 RESID 255 (W): N 121.300 121.300 122.843 -1.543 RESID 255 (W): C 178.400 178.400 177.170 1.230 RESID 255 (W): CA 56.940 56.940 60.503 -3.563 RESID 255 (W): CB 29.850 29.850 29.920 -0.070 RESID 256 (L): N 124.900 124.900 122.919 1.981 RESID 256 (L): C 177.700 177.700 176.086 1.614 RESID 256 (L): CA 55.840 55.840 60.100 -4.260 RESID 256 (L): CB 40.000 40.000 39.333 0.667 RESID 258 (Y): N 124.900 124.900 119.213 5.687 RESID 258 (Y): C 179.000 179.000 177.999 1.001 RESID 258 (Y): CA 58.330 58.330 61.329 -2.999 RESID 258 (Y): CB 42.070 42.070 38.063 4.007 RESID 259 (N): N 123.000 123.000 118.199 4.801 RESID 259 (N): C 173.000 173.000 177.601 -4.601 RESID 259 (N): CA 53.900 53.900 56.260 -2.360 RESID 259 (N): CB 37.620 37.620 37.593 0.027 RESID 260 (L): N 121.800 121.800 120.872 0.928 RESID 260 (L): C 175.300 175.300 179.001 -3.701 RESID 260 (L): CA 56.190 56.190 57.889 -1.699 RESID 260 (L): CB 39.060 39.060 41.905 -2.845 RESID 261 (V): N 118.600 118.600 118.759 -0.159 RESID 261 (V): C 175.000 175.000 177.717 -2.717 RESID 261 (V): CA 65.200 65.200 66.144 -0.944 RESID 261 (V): CB 29.620 29.620 31.877 -2.257 RESID 262 (L): N 121.800 121.800 121.649 0.151 RESID 262 (L): C 176.600 176.600 177.720 -1.120 RESID 262 (L): CA 56.000 56.000 58.403 -2.403 RESID 262 (L): CB 40.070 40.070 41.538 -1.468 RESID 263 (L): N 123.500 123.500 119.906 3.594 RESID 263 (L): C 176.000 176.000 178.324 -2.324 RESID 263 (L): CA 55.600 55.600 58.472 -2.872 RESID 263 (L): CB 40.620 40.620 41.639 -1.019 RESID 264 (A): N 122.200 122.200 121.165 1.035 RESID 264 (A): C 174.400 174.400 179.244 -4.844 RESID 264 (A): CA 53.300 53.300 55.440 -2.140 RESID 264 (A): CB 15.820 15.820 17.872 -2.052 RESID 265 (D): N 126.500 126.500 118.600 7.900 RESID 265 (D): C 171.600 171.600 179.347 -7.747 RESID 265 (D): CA 56.300 56.300 56.890 -0.590 RESID 266 (T): N 120.700 120.700 116.980 3.720 RESID 266 (T): C 175.300 175.300 175.757 -0.457 RESID 266 (T): CA 60.300 60.300 66.942 -6.642 RESID 267 (L): N 121.600 121.600 118.279 3.321 RESID 267 (L): C 176.100 176.100 176.800 -0.700 RESID 267 (L): CA 55.950 55.950 55.834 0.116 RESID 267 (L): CB 40.130 40.130 42.421 -2.291 RESID 268 (M): N 120.200 120.200 118.103 2.097 RESID 268 (M): C 176.800 176.800 176.052 0.748 RESID 268 (M): CA 58.200 58.200 54.962 3.238 RESID 268 (M): CB 31.900 31.900 31.445 0.455 RESID 269 (R): N 116.700 116.700 119.214 -2.514 RESID 269 (R): C 175.500 175.500 177.528 -2.028 RESID 269 (R): CA 57.000 57.000 58.117 -1.117 RESID 269 (R): CB 29.700 29.700 29.614 0.086 RESID 270 (T): N 117.100 117.100 109.006 8.094 RESID 270 (T): C 175.700 175.700 173.663 2.037 RESID 270 (T): CA 64.000 64.000 64.207 -0.207 RESID 271 (Q): N 122.800 122.800 120.049 2.751 RESID 271 (Q): C 176.000 176.000 175.875 0.125 RESID 271 (Q): CA 57.400 57.400 55.264 2.136 RESID 272 (V): N 121.300 121.300 120.503 0.797 RESID 272 (V): C 176.000 176.000 175.076 0.924 RESID 272 (V): CA 63.670 63.670 63.599 0.071 RESID 272 (V): CB 35.310 35.310 31.382 3.928 RESID 273 (I): N 123.300 123.300 124.710 -1.410 RESID 273 (I): C 178.300 178.300 175.641 2.659 RESID 273 (I): CA 64.000 64.000 60.985 3.015 RESID 273 (I): CB 36.000 36.000 38.743 -2.743 RESID 274 (Q): N 123.400 123.400 119.167 4.233 RESID 274 (Q): C 176.000 176.000 174.783 1.217 RESID 274 (Q): CA 56.950 56.950 57.151 -0.201 RESID 275 (E): N 123.600 123.600 115.515 8.085 RESID 275 (E): C 177.200 177.200 175.727 1.473 RESID 275 (E): CA 55.730 55.730 55.775 -0.045 RESID 275 (E): CB 29.130 29.130 30.266 -1.136 RESID 276 (S): N 116.400 116.400 119.492 -3.092 RESID 276 (S): CA 61.300 61.300 60.897 0.403 RESID 276 (S): CB 63.340 63.340 62.872 0.468 RESID 277 (C): N 117.200 117.200 119.370 -2.170 RESID 277 (C): C 175.600 175.600 177.324 -1.724 RESID 277 (C): CA 55.300 55.300 61.579 -6.279 RESID 277 (C): CB 25.240 25.240 26.040 -0.800 RESID 278 (E): N 120.900 120.900 120.655 0.245 RESID 278 (E): C 175.200 175.200 178.322 -3.122 RESID 278 (E): CA 58.200 58.200 59.500 -1.300 RESID 278 (E): CB 28.890 28.890 29.482 -0.592 RESID 279 (R): N 123.000 123.000 119.268 3.732 RESID 279 (R): C 176.600 176.600 178.777 -2.177 RESID 279 (R): CA 56.200 56.200 58.687 -2.487 RESID 279 (R): CB 29.500 29.500 29.959 -0.459 RESID 280 (R): N 124.000 124.000 117.058 6.942 RESID 280 (R): C 176.300 176.300 178.143 -1.843 RESID 280 (R): CA 55.870 55.870 57.862 -1.992 RESID 280 (R): CB 28.250 28.250 29.566 -1.316 RESID 281 (N): N 121.100 121.100 118.130 2.970 RESID 281 (N): C 174.600 174.600 176.525 -1.925 RESID 281 (N): CA 51.880 51.880 55.733 -3.853 RESID 281 (N): CB 37.700 37.700 38.316 -0.617 RESID 282 (N): N 121.600 121.600 118.418 3.182 RESID 282 (N): C 176.600 176.600 176.564 0.036 RESID 282 (N): CA 55.800 55.800 55.811 -0.011 RESID 282 (N): CB 39.000 39.000 38.343 0.657 RESID 283 (I): N 120.800 120.800 116.955 3.845 RESID 283 (I): C 175.200 175.200 177.549 -2.349 RESID 283 (I): CA 64.500 64.500 61.555 2.945 RESID 283 (I): CB 36.600 36.600 36.432 0.168 RESID 284 (G): N 110.500 110.500 107.170 3.330 RESID 284 (G): C 176.800 176.800 174.650 2.150 RESID 284 (G): CA 41.400 41.400 45.425 -4.026 RESID 286 (A): N 122.800 122.800 120.347 2.453 RESID 286 (A): C 178.500 178.500 179.150 -0.650 RESID 286 (A): CA 53.840 53.840 54.486 -0.646 RESID 286 (A): CB 16.630 16.630 18.271 -1.641 RESID 287 (L): N 125.500 125.500 119.034 6.466 RESID 287 (L): C 175.800 175.800 178.204 -2.404 RESID 287 (L): CA 56.150 56.150 57.656 -1.506 RESID 287 (L): CB 40.200 40.200 41.577 -1.377 RESID 288 (D): N 116.800 116.800 118.750 -1.950 RESID 288 (D): C 176.500 176.500 177.679 -1.179 RESID 288 (D): CA 56.250 56.250 57.115 -0.865 RESID 289 (A): N 124.600 124.600 121.950 2.650 RESID 289 (A): C 177.500 177.500 179.020 -1.520 RESID 289 (A): CA 53.250 53.250 55.026 -1.776 RESID 289 (A): CB 16.900 16.900 18.288 -1.387 RESID 290 (T): N 114.900 114.900 110.323 4.577 RESID 290 (T): C 177.000 177.000 176.457 0.543 RESID 290 (T): CA 64.100 64.100 64.798 -0.698 RESID 291 (E): N 120.800 120.800 122.184 -1.384 RESID 291 (E): C 177.000 177.000 178.634 -1.634 RESID 291 (E): CA 57.500 57.500 58.931 -1.431 RESID 291 (E): CB 29.700 29.700 29.684 0.016 RESID 292 (I): N 121.300 121.300 117.772 3.528 RESID 292 (I): C 176.000 176.000 178.214 -2.214 RESID 292 (I): CA 64.300 64.300 64.567 -0.266 RESID 292 (I): CB 36.640 36.640 37.308 -0.668 RESID 293 (L): N 122.700 122.700 121.314 1.386 RESID 293 (L): C 175.100 175.100 178.658 -3.558 RESID 293 (L): CA 55.600 55.600 57.230 -1.630 RESID 293 (L): CB 39.440 39.440 40.864 -1.424 RESID 294 (G): N 108.500 108.500 105.933 2.567 RESID 294 (G): C 173.800 173.800 176.188 -2.388 RESID 294 (G): CA 45.030 45.030 46.838 -1.808 RESID 295 (F): N 121.600 121.600 123.213 -1.613 RESID 295 (F): C 177.500 177.500 176.497 1.003 RESID 295 (F): CA 58.500 58.500 58.761 -0.261 RESID 296 (L): N 120.900 120.900 119.263 1.637 RESID 296 (L): C 175.300 175.300 177.346 -2.046 RESID 296 (L): CA 55.900 55.900 56.234 -0.334 RESID 296 (L): CB 40.000 40.000 39.847 0.153 RESID 297 (H): N 120.600 120.600 115.445 5.155 RESID 297 (H): C 176.600 176.600 175.159 1.441 RESID 297 (H): CA 57.700 57.700 57.667 0.033 RESID 297 (H): CB 30.130 30.130 29.302 0.828 RESID 298 (S): N 122.500 122.500 111.441 11.059 RESID 298 (S): C 177.700 177.700 173.505 4.195 RESID 298 (S): CA 62.580 62.580 58.609 3.971 RESID 298 (S): CB 64.530 64.530 63.853 0.677 RESID 299 (C): N 121.600 121.600 118.638 2.962 RESID 299 (C): C 177.300 177.300 175.535 1.765 RESID 299 (C): CA 59.200 59.200 59.921 -0.721 RESID 299 (C): CB 27.360 27.360 29.739 -2.379 RESID 300 (L): N 121.300 121.300 121.119 0.181 RESID 300 (L): C 179.000 179.000 178.108 0.892 RESID 300 (L): CA 54.960 54.960 57.364 -2.404 RESID 300 (L): CB 40.740 40.740 40.796 -0.056 RESID 301 (N): N 119.000 119.000 119.341 -0.341 RESID 301 (N): C 176.600 176.600 173.683 2.917 RESID 301 (N): CA 53.300 53.300 57.572 -4.272 RESID 301 (N): CB 36.760 36.760 36.308 0.452 RESID 302 (P): CA 58.860 58.860 65.677 -6.817 RESID 303 (I): N 120.900 120.900 118.834 2.066 RESID 303 (I): C 173.700 173.700 177.834 -4.134 RESID 303 (I): CA 66.500 66.500 65.005 1.495 RESID 303 (I): CB 36.650 36.650 38.087 -1.437 RESID 304 (I): N 120.400 120.400 119.846 0.554 RESID 304 (I): C 175.900 175.900 177.926 -2.026 RESID 304 (I): CA 65.800 65.800 65.142 0.658 RESID 304 (I): CB 36.330 36.330 37.836 -1.506 RESID 305 (Y): N 120.300 120.300 118.416 1.884 RESID 305 (Y): C 174.800 174.800 177.651 -2.851 RESID 305 (Y): CA 56.700 56.700 58.411 -1.711 RESID 305 (Y): CB 37.900 37.900 36.459 1.441 RESID 306 (A): N 123.300 123.300 121.253 2.047 RESID 306 (A): C 172.000 172.000 179.047 -7.047 RESID 306 (A): CA 54.350 54.350 54.316 0.034 RESID 306 (A): CB 16.400 16.400 18.046 -1.646 RESID 307 (F): N 120.400 120.400 117.574 2.826 RESID 307 (F): C 175.900 175.900 177.534 -1.634 RESID 307 (F): CA 60.250 60.250 61.408 -1.158 RESID 307 (F): CB 40.200 40.200 38.859 1.341 RESID 308 (I): N 120.700 120.700 115.923 4.777 RESID 308 (I): C 177.200 177.200 177.548 -0.348 RESID 308 (I): CA 64.550 64.550 63.095 1.455 RESID 308 (I): CB 36.600 36.600 37.856 -1.256 RESID 309 (G): N 111.300 111.300 107.421 3.879 RESID 309 (G): C 174.000 174.000 173.407 0.593 RESID 309 (G): CA 41.600 41.600 45.044 -3.444 RESID 310 (Q): N 119.400 119.400 116.135 3.265 RESID 310 (Q): C 176.200 176.200 176.844 -0.644 RESID 310 (Q): CA 57.800 57.800 56.302 1.498 RESID 310 (Q): CB 31.900 31.900 30.079 1.821 RESID 311 (N): N 120.100 120.100 118.788 1.312 RESID 311 (N): C 175.600 175.600 176.724 -1.124 RESID 311 (N): CA 55.500 55.500 55.158 0.342 RESID 311 (N): CB 38.800 38.800 38.259 0.541 RESID 312 (F): N 120.700 120.700 118.608 2.092 RESID 312 (F): C 175.400 175.400 177.358 -1.958 RESID 312 (F): CA 58.300 58.300 61.205 -2.905 RESID 312 (F): CB 36.800 36.800 38.678 -1.878 RESID 313 (R): N 123.000 123.000 118.962 4.038 RESID 313 (R): C 174.500 174.500 178.509 -4.009 RESID 313 (R): CA 56.000 56.000 59.312 -3.312 RESID 313 (R): CB 29.300 29.300 29.630 -0.330 RESID 314 (H): N 122.100 122.100 116.054 6.046 RESID 314 (H): C 176.300 176.300 177.417 -1.117 RESID 314 (H): CA 58.600 58.600 57.720 0.880 RESID 314 (H): CB 29.900 29.900 29.752 0.148 RESID 315 (G): N 109.700 109.700 108.789 0.911 RESID 315 (G): C 174.100 174.100 175.697 -1.597 RESID 315 (G): CA 47.200 47.200 46.848 0.352 RESID 316 (F): N 123.600 123.600 120.526 3.074 RESID 316 (F): C 176.200 176.200 177.488 -1.288 RESID 316 (F): CA 58.200 58.200 60.909 -2.709 RESID 317 (L): N 122.000 122.000 120.452 1.548 RESID 317 (L): C 176.600 176.600 178.466 -1.866 RESID 317 (L): CA 55.700 55.700 57.411 -1.711 RESID 317 (L): CB 40.200 40.200 41.937 -1.737 RESID 318 (K): N 121.800 121.800 119.976 1.824 RESID 318 (K): C 177.500 177.500 179.091 -1.591 RESID 318 (K): CA 56.200 56.200 59.254 -3.054 RESID 318 (K): CB 30.000 30.000 31.758 -1.758 RESID 319 (I): N 120.600 120.600 118.953 1.647 RESID 319 (I): C 176.000 176.000 178.089 -2.089 RESID 319 (I): CA 65.200 65.200 64.203 0.997 RESID 319 (I): CB 36.400 36.400 37.501 -1.101 RESID 320 (L): N 121.900 121.900 121.112 0.788 RESID 320 (L): C 176.800 176.800 178.373 -1.573 RESID 320 (L): CA 56.200 56.200 58.310 -2.110 RESID 320 (L): CB 40.000 40.000 41.699 -1.699 RESID 321 (A): N 123.000 123.000 121.644 1.356 RESID 321 (A): C 177.100 177.100 179.317 -2.217 RESID 321 (A): CA 55.000 55.000 54.777 0.223 RESID 321 (A): CB 18.000 18.000 18.705 -0.705 RESID 322 (M): N 120.400 120.400 116.245 4.155 RESID 322 (M): C 173.300 173.300 177.165 -3.865 RESID 322 (M): CA 56.100 56.100 55.275 0.825 RESID 323 (H): N 120.700 120.700 117.569 3.131 RESID 323 (H): C 173.200 173.200 175.708 -2.508 RESID 323 (H): CA 57.000 57.000 58.594 -1.594 RESID 323 (H): CB 29.700 29.700 28.645 1.055 N HA C CA CB H RESID 31 (M): 1.328 ----- -3.213 2.211 -0.873 ----- RESID 32 (L): 5.274 ----- -4.319 -2.851 -2.176 ----- RESID 33 (E): 12.114 ----- -3.125 -0.465 0.800 ----- RESID 34 (T): 0.205 ----- -2.785 2.707 -2.776 ----- RESID 35 (E): 1.651 ----- -7.923 -2.719 -1.628 ----- RESID 36 (T): -6.861 ----- -1.003 0.735 ----- ----- RESID 37 (L): 2.115 ----- 0.007 1.392 0.961 ----- RESID 38 (N): 0.355 ----- 0.937 -0.482 2.319 ----- RESID 39 (K): 1.495 ----- -4.221 -2.445 -2.155 ----- RESID 40 (Y): 0.916 ----- -0.779 -2.345 1.839 ----- RESID 41 (V): 2.923 ----- -1.438 -1.357 -1.657 ----- RESID 42 (V): 0.217 ----- -1.913 -1.029 -1.526 ----- RESID 43 (I): 0.853 ----- -0.816 -1.383 -1.257 ----- RESID 44 (I): 0.235 ----- -2.534 -6.019 -0.334 ----- RESID 45 (A): -0.998 ----- -4.046 -2.809 -1.393 ----- RESID 46 (Y): 0.938 ----- -2.806 -1.584 2.059 ----- RESID 47 (A): 1.995 ----- -4.894 -1.773 -3.038 ----- RESID 48 (L): -2.034 ----- -1.268 -1.257 ----- ----- RESID 49 (V): -1.765 ----- 2.955 1.472 -1.295 ----- RESID 50 (F): 8.260 ----- -6.216 0.525 4.269 ----- RESID 51 (L): 3.806 ----- -1.406 -2.832 -1.587 ----- RESID 52 (L): 4.419 ----- -5.165 -2.905 -1.897 ----- RESID 53 (S): 4.732 ----- -3.755 -2.788 ----- ----- RESID 54 (L): -1.501 ----- -1.517 -2.012 -1.972 ----- RESID 55 (L): 6.719 ----- -1.340 -1.607 -1.607 ----- RESID 56 (G): 4.167 ----- -0.389 0.160 ----- ----- RESID 57 (N): -1.806 ----- -1.100 -0.330 1.692 ----- RESID 58 (S): -5.281 ----- 3.896 -1.607 0.544 ----- RESID 59 (L): -1.001 ----- -1.508 -1.889 -0.176 ----- RESID 60 (V): -0.120 ----- -3.723 -0.569 -1.315 ----- RESID 61 (M): 0.356 ----- -2.391 -1.925 ----- ----- RESID 62 (L): 2.929 ----- -1.505 -1.450 -2.589 ----- RESID 63 (V): 1.333 ----- ----- -1.724 -2.482 ----- RESID 64 (I): 2.882 ----- -4.041 -0.110 -0.340 ----- RESID 65 (L): -3.113 ----- -3.900 -1.261 -2.307 ----- RESID 66 (Y): 6.554 ----- 1.607 0.346 1.726 ----- RESID 67 (S): 0.379 ----- -0.382 2.802 -2.147 ----- RESID 68 (R): -4.548 ----- -1.904 2.116 ----- ----- RESID 69 (V): 2.395 ----- -0.946 3.636 -1.725 ----- RESID 70 (G): 3.000 ----- 0.003 -2.917 ----- ----- RESID 71 (R): 1.753 ----- 1.462 2.700 2.148 ----- RESID 72 (S): 1.399 ----- -0.935 1.123 ----- ----- RESID 73 (V): 3.106 ----- -1.534 0.954 -1.926 ----- RESID 74 (T): 2.649 ----- 0.201 -0.884 ----- ----- RESID 75 (D): -0.470 ----- -1.327 -1.861 -0.355 ----- RESID 76 (V): 2.255 ----- -1.549 0.018 -1.115 ----- RESID 77 (Y): 4.662 ----- -2.454 -1.302 -0.635 ----- RESID 78 (L): -1.111 ----- -1.909 -1.567 -1.204 ----- RESID 79 (L): 6.015 ----- -2.682 -2.450 -0.577 ----- RESID 80 (N): 3.355 ----- 0.405 0.158 0.353 ----- RESID 81 (L): 2.284 ----- -2.197 -2.288 -3.571 ----- RESID 82 (A): 3.065 ----- -2.087 -1.759 0.177 ----- RESID 83 (L): 1.387 ----- -2.249 -2.048 -1.776 ----- RESID 84 (A): 2.933 ----- -2.748 -0.760 -0.964 ----- RESID 85 (D): 0.574 ----- -0.218 -0.775 -1.333 ----- RESID 86 (L): 2.125 ----- -5.225 -2.271 -2.419 ----- RESID 87 (L): 1.878 ----- -3.327 -2.278 -1.761 ----- RESID 88 (F): 0.765 ----- -4.934 -4.186 2.763 ----- RESID 89 (A): 3.839 ----- -6.961 -1.921 -1.336 ----- RESID 90 (L): 2.017 ----- -5.360 -1.406 -2.264 ----- RESID 91 (T): 6.485 ----- 0.152 -3.898 -0.174 ----- RESID 92 (L): -1.512 ----- 0.144 -3.779 1.273 ----- RESID 94 (I): 5.180 ----- -1.105 -0.025 -0.933 ----- RESID 95 (W): -1.579 ----- -1.679 -2.491 -0.125 ----- RESID 96 (A): 4.361 ----- -0.208 -2.014 2.788 ----- RESID 97 (A): 3.393 ----- -1.840 -1.501 -1.364 ----- RESID 98 (S): -2.569 ----- ----- 1.526 ----- ----- RESID 99 (K): -0.253 ----- -1.278 -1.639 -2.545 ----- RESID 100 (V): 0.548 ----- -1.369 -0.900 -2.090 ----- RESID 101 (N): -1.596 ----- -2.814 -2.274 1.048 ----- RESID 102 (G): 3.068 ----- 0.853 0.965 ----- ----- RESID 103 (W): -1.729 ----- 0.413 3.753 1.053 ----- RESID 104 (I): 7.104 ----- 2.180 2.078 -4.208 ----- RESID 105 (F): -1.086 ----- 3.284 -1.220 -0.643 ----- RESID 106 (G): -4.453 ----- 2.101 -1.619 ----- ----- RESID 107 (T): 1.044 ----- -1.458 -0.218 0.691 ----- RESID 108 (F): 2.294 ----- -3.402 1.077 0.102 ----- RESID 109 (L): 3.436 ----- -2.226 -2.970 0.962 ----- RESID 110 (C): -0.391 ----- -1.098 -5.858 13.734 ----- RESID 111 (K): 1.520 ----- -0.562 -1.639 -2.623 ----- RESID 112 (V): 6.603 ----- -3.571 3.519 ----- ----- RESID 113 (V): 6.582 ----- -8.759 1.402 ----- ----- RESID 114 (S): 2.862 ----- -0.992 -0.899 -1.045 ----- RESID 115 (L): -3.205 ----- -4.389 -2.100 -0.719 ----- RESID 116 (L): 11.279 ----- -1.073 -2.100 -0.474 ----- RESID 117 (K): 0.366 ----- -5.469 -2.444 -1.851 ----- RESID 118 (E): -0.305 ----- -1.964 -4.262 -1.672 ----- RESID 119 (V): 5.639 ----- -4.061 -0.870 -2.670 ----- RESID 120 (N): 1.193 ----- -3.103 -0.696 0.251 ----- RESID 121 (F): 2.416 ----- -2.493 -1.529 -2.427 ----- RESID 122 (Y): 1.151 ----- -1.537 0.268 -1.356 ----- RESID 123 (S): 7.626 ----- -2.699 -4.352 -2.735 ----- RESID 124 (G): -1.239 ----- -4.773 -4.327 ----- ----- RESID 125 (I): -2.670 ----- -2.559 -1.352 -0.587 ----- RESID 126 (L): 1.816 ----- -4.786 -1.200 ----- ----- RESID 127 (L): 6.997 ----- -2.909 -2.749 0.313 ----- RESID 128 (L): 1.926 ----- -2.202 -0.973 -1.343 ----- RESID 129 (A): 3.707 ----- -3.630 -1.969 -0.462 ----- RESID 130 (C): 3.405 ----- -0.153 -1.199 2.761 ----- RESID 131 (I): -1.176 ----- -3.605 -2.146 -1.437 ----- RESID 132 (S): 2.183 ----- -1.733 2.353 3.611 ----- RESID 133 (V): 7.158 ----- 0.713 1.540 ----- ----- RESID 134 (D): 5.225 ----- -4.766 0.554 -0.055 ----- RESID 135 (R): 3.900 ----- -4.297 -0.148 0.950 ----- RESID 136 (Y): 3.258 ----- -1.189 -0.001 -0.359 ----- RESID 137 (L): 7.106 ----- -4.163 -1.839 0.439 ----- RESID 138 (A): 5.218 ----- -1.869 -1.276 -2.758 ----- RESID 139 (I): 3.215 ----- 0.389 -1.643 -9.307 ----- RESID 140 (V): 0.173 ----- -1.239 0.895 -1.923 ----- RESID 141 (H): -5.989 ----- 4.488 2.734 0.683 ----- RESID 142 (A): -3.768 ----- -2.442 1.024 -2.023 ----- RESID 143 (T): -1.553 ----- 2.442 -2.107 -4.277 ----- RESID 144 (R): ----- ----- ----- 0.742 -0.778 ----- RESID 145 (T): 8.661 ----- 3.729 -1.165 -4.589 ----- RESID 146 (L): 6.201 ----- -2.449 1.457 -1.134 ----- RESID 147 (T): 9.884 ----- 3.745 1.173 -7.465 ----- RESID 148 (Q): 1.066 ----- -0.060 -2.880 -0.516 ----- RESID 149 (K): -3.097 ----- -2.289 0.604 ----- ----- RESID 150 (R): 3.392 ----- -0.569 -2.683 1.822 ----- RESID 151 (H): 1.501 ----- 0.693 1.017 1.148 ----- RESID 152 (L): -0.589 ----- -1.569 -2.452 -1.938 ----- RESID 153 (V): 3.050 ----- -4.310 -4.754 ----- ----- RESID 154 (K): -4.745 ----- -3.304 -0.241 ----- ----- RESID 155 (F): 0.865 ----- -0.888 0.227 ----- ----- RESID 156 (V): 3.835 ----- 0.558 -4.317 1.990 ----- RESID 157 (C): ----- ----- ----- -4.876 ----- ----- RESID 158 (L): 1.754 ----- -3.377 -3.189 ----- ----- RESID 159 (G): -1.388 ----- -0.022 -2.422 ----- ----- RESID 160 (C): -4.280 ----- 4.462 -4.659 2.299 ----- RESID 161 (W): -3.269 ----- -3.765 -5.244 ----- ----- RESID 162 (G): 2.265 ----- -2.150 -2.511 ----- ----- RESID 163 (L): -1.563 ----- -5.098 -1.305 -2.000 ----- RESID 164 (S): 2.211 ----- -1.892 -5.999 2.581 ----- RESID 165 (M): -1.362 ----- -2.331 -0.378 -2.473 ----- RESID 166 (N): 1.655 ----- -1.111 0.067 0.785 ----- RESID 167 (L): 1.266 ----- -0.356 7.394 -5.619 ----- RESID 168 (S): 7.391 ----- -2.695 -4.045 -6.672 ----- RESID 169 (L): -1.772 ----- 1.221 -2.473 0.266 ----- RESID 171 (F): 1.411 ----- -2.626 1.474 ----- ----- RESID 172 (F): -0.624 ----- -2.349 -0.949 2.824 ----- RESID 173 (L): 1.936 ----- -0.007 -3.046 -5.171 ----- RESID 174 (F): 10.237 ----- 1.547 0.999 2.006 ----- RESID 175 (R): -2.051 ----- 1.946 -0.330 ----- ----- RESID 176 (Q): 4.120 ----- 3.976 -1.907 ----- ----- RESID 177 (A): 4.361 ----- 1.659 2.427 -3.532 ----- RESID 178 (Y): 3.063 ----- -0.588 -0.058 1.792 ----- RESID 179 (H): -1.287 ----- 2.798 3.014 0.861 ----- RESID 181 (N): 0.942 ----- -1.846 3.649 -4.349 ----- RESID 182 (N): -6.032 ----- 1.403 0.764 ----- ----- RESID 183 (S): -0.696 ----- 2.612 -2.208 0.907 ----- RESID 184 (S): 0.720 ----- 2.972 -1.469 -1.716 ----- RESID 186 (V): -2.488 ----- -0.104 3.629 -2.613 ----- RESID 187 (C): -9.678 ----- 2.123 -2.344 12.045 ----- RESID 188 (Y): -0.862 ----- 2.603 0.697 0.067 ----- RESID 189 (E): 1.852 ----- 0.325 1.786 1.863 ----- RESID 190 (V): 5.857 ----- -3.017 3.122 -2.574 ----- RESID 191 (L): 3.062 ----- ----- -1.078 ----- ----- RESID 192 (G): 5.718 ----- 1.047 0.747 ----- ----- RESID 193 (N): -0.315 ----- ----- -2.362 0.731 ----- RESID 194 (D): 7.785 ----- -3.556 -0.614 0.517 ----- RESID 195 (T): 7.659 ----- 0.157 -2.031 ----- ----- RESID 196 (A): -0.069 ----- -5.142 -0.441 -1.320 ----- RESID 197 (K): 6.985 ----- 0.528 2.710 -3.258 ----- RESID 198 (W): 3.399 ----- 0.604 1.893 4.107 ----- RESID 199 (R): 2.912 ----- -0.048 -3.908 0.980 ----- RESID 200 (M): 1.731 ----- -2.474 -0.539 -0.416 ----- RESID 201 (V): 6.310 ----- -2.692 0.325 -1.553 ----- RESID 202 (L): 2.606 ----- -5.786 -3.305 ----- ----- RESID 203 (R): 5.180 ----- -2.922 -3.529 1.126 ----- RESID 204 (I): 1.185 ----- -2.548 2.092 -0.629 ----- RESID 205 (L): 1.957 ----- 0.193 -5.373 ----- ----- RESID 206 (P): ----- ----- ----- -3.716 ----- ----- RESID 207 (H): -4.730 ----- -2.471 -6.340 -0.453 ----- RESID 208 (T): 5.299 ----- 1.646 -3.600 ----- ----- RESID 209 (F): -3.411 ----- -2.114 -0.249 ----- ----- RESID 210 (G): 4.639 ----- 0.137 -1.312 ----- ----- RESID 211 (F): 1.816 ----- -2.039 -3.796 ----- ----- RESID 212 (I): 0.007 ----- -2.386 0.688 -0.264 ----- RESID 213 (V): 3.856 ----- 0.078 -2.495 1.166 ----- RESID 215 (L): 6.089 ----- -1.755 -2.647 -1.034 ----- RESID 216 (F): 4.216 ----- 1.643 -0.471 -1.823 ----- RESID 217 (V): -1.416 ----- -2.491 -0.490 -0.781 ----- RESID 218 (M): 0.000 ----- -4.064 -3.663 0.571 ----- RESID 219 (L): 1.778 ----- -1.637 -2.028 0.306 ----- RESID 220 (F): 4.339 ----- -2.001 -0.215 ----- ----- RESID 221 (C): -0.742 ----- -1.022 -0.519 ----- ----- RESID 222 (Y): -0.868 ----- -0.259 -3.180 -0.370 ----- RESID 223 (G): 4.249 ----- -1.429 -5.230 ----- ----- RESID 224 (F): -0.241 ----- -0.750 0.959 -2.133 ----- RESID 225 (T): 4.698 ----- -1.695 -0.775 ----- ----- RESID 226 (L): 5.454 ----- -0.738 -0.242 -0.561 ----- RESID 227 (R): 1.213 ----- -0.122 -3.916 -0.386 ----- RESID 228 (T): 5.888 ----- 1.723 0.791 -4.084 ----- RESID 229 (L): 1.199 ----- 1.360 2.020 1.159 ----- RESID 230 (F): -2.046 ----- -0.106 -2.317 2.515 ----- RESID 231 (K): 2.725 ----- -0.578 -0.157 -1.763 ----- RESID 232 (A): 0.498 ----- 0.502 0.904 3.812 ----- RESID 233 (H): 4.955 ----- 2.861 1.616 -0.892 ----- RESID 234 (M): 0.525 ----- -0.692 3.467 -0.093 ----- RESID 235 (G): 0.169 ----- -1.503 -2.587 ----- ----- RESID 236 (Q): -3.374 ----- -4.030 -2.041 -3.122 ----- RESID 237 (K): 3.368 ----- 0.536 -2.873 -1.031 ----- RESID 238 (H): 8.400 ----- 0.426 -1.924 -2.096 ----- RESID 239 (R): -0.858 ----- -1.199 -3.850 1.452 ----- RESID 240 (A): -0.479 ----- -3.610 -2.176 -1.197 ----- RESID 241 (M): 1.816 ----- -2.644 0.584 0.174 ----- RESID 242 (R): 1.932 ----- -1.407 -2.903 1.278 ----- RESID 243 (V): -1.090 ----- -2.594 -1.214 -1.968 ----- RESID 244 (I): -0.483 ----- -2.065 -1.243 -1.130 ----- RESID 245 (F): -2.551 ----- -1.640 -1.062 0.917 ----- RESID 246 (A): -0.032 ----- -1.416 -2.161 -1.166 ----- RESID 247 (V): 4.669 ----- -2.013 1.870 -0.927 ----- RESID 248 (V): 2.309 ----- -0.100 -1.671 -1.694 ----- RESID 249 (L): -0.611 ----- -2.558 -1.644 -0.846 ----- RESID 250 (I): 1.206 ----- -0.942 -0.896 -0.676 ----- RESID 251 (F): 8.195 ----- -1.292 -0.272 ----- ----- RESID 252 (L): -0.685 ----- -2.115 -0.574 -0.553 ----- RESID 253 (L): 0.082 ----- -1.211 -2.144 -2.018 ----- RESID 254 (C): 2.467 ----- 0.346 -2.212 0.007 ----- RESID 255 (W): -1.543 ----- 1.230 -3.563 -0.070 ----- RESID 256 (L): 1.981 ----- 1.614 -4.260 0.667 ----- RESID 258 (Y): 5.687 ----- 1.001 -2.999 4.007 ----- RESID 259 (N): 4.801 ----- -4.601 -2.360 0.027 ----- RESID 260 (L): 0.928 ----- -3.701 -1.699 -2.845 ----- RESID 261 (V): -0.159 ----- -2.717 -0.944 -2.257 ----- RESID 262 (L): 0.151 ----- -1.120 -2.403 -1.468 ----- RESID 263 (L): 3.594 ----- -2.324 -2.872 -1.019 ----- RESID 264 (A): 1.035 ----- -4.844 -2.140 -2.052 ----- RESID 265 (D): 7.900 ----- -7.747 -0.590 ----- ----- RESID 266 (T): 3.720 ----- -0.457 -6.642 ----- ----- RESID 267 (L): 3.321 ----- -0.700 0.116 -2.291 ----- RESID 268 (M): 2.097 ----- 0.748 3.238 0.455 ----- RESID 269 (R): -2.514 ----- -2.028 -1.117 0.086 ----- RESID 270 (T): 8.094 ----- 2.037 -0.207 ----- ----- RESID 271 (Q): 2.751 ----- 0.125 2.136 ----- ----- RESID 272 (V): 0.797 ----- 0.924 0.071 3.928 ----- RESID 273 (I): -1.410 ----- 2.659 3.015 -2.743 ----- RESID 274 (Q): 4.233 ----- 1.217 -0.201 ----- ----- RESID 275 (E): 8.085 ----- 1.473 -0.045 -1.136 ----- RESID 276 (S): -3.092 ----- ----- 0.403 0.468 ----- RESID 277 (C): -2.170 ----- -1.724 -6.279 -0.800 ----- RESID 278 (E): 0.245 ----- -3.122 -1.300 -0.592 ----- RESID 279 (R): 3.732 ----- -2.177 -2.487 -0.459 ----- RESID 280 (R): 6.942 ----- -1.843 -1.992 -1.316 ----- RESID 281 (N): 2.970 ----- -1.925 -3.853 -0.617 ----- RESID 282 (N): 3.182 ----- 0.036 -0.011 0.657 ----- RESID 283 (I): 3.845 ----- -2.349 2.945 0.168 ----- RESID 284 (G): 3.330 ----- 2.150 -4.026 ----- ----- RESID 286 (A): 2.453 ----- -0.650 -0.646 -1.641 ----- RESID 287 (L): 6.466 ----- -2.404 -1.506 -1.377 ----- RESID 288 (D): -1.950 ----- -1.179 -0.865 ----- ----- RESID 289 (A): 2.650 ----- -1.520 -1.776 -1.387 ----- RESID 290 (T): 4.577 ----- 0.543 -0.698 ----- ----- RESID 291 (E): -1.384 ----- -1.634 -1.431 0.016 ----- RESID 292 (I): 3.528 ----- -2.214 -0.266 -0.668 ----- RESID 293 (L): 1.386 ----- -3.558 -1.630 -1.424 ----- RESID 294 (G): 2.567 ----- -2.388 -1.808 ----- ----- RESID 295 (F): -1.613 ----- 1.003 -0.261 ----- ----- RESID 296 (L): 1.637 ----- -2.046 -0.334 0.153 ----- RESID 297 (H): 5.155 ----- 1.441 0.033 0.828 ----- RESID 298 (S): 11.059 ----- 4.195 3.971 0.677 ----- RESID 299 (C): 2.962 ----- 1.765 -0.721 -2.379 ----- RESID 300 (L): 0.181 ----- 0.892 -2.404 -0.056 ----- RESID 301 (N): -0.341 ----- 2.917 -4.272 0.452 ----- RESID 302 (P): ----- ----- ----- -6.817 ----- ----- RESID 303 (I): 2.066 ----- -4.134 1.495 -1.437 ----- RESID 304 (I): 0.554 ----- -2.026 0.658 -1.506 ----- RESID 305 (Y): 1.884 ----- -2.851 -1.711 1.441 ----- RESID 306 (A): 2.047 ----- -7.047 0.034 -1.646 ----- RESID 307 (F): 2.826 ----- -1.634 -1.158 1.341 ----- RESID 308 (I): 4.777 ----- -0.348 1.455 -1.256 ----- RESID 309 (G): 3.879 ----- 0.593 -3.444 ----- ----- RESID 310 (Q): 3.265 ----- -0.644 1.498 1.821 ----- RESID 311 (N): 1.312 ----- -1.124 0.342 0.541 ----- RESID 312 (F): 2.092 ----- -1.958 -2.905 -1.878 ----- RESID 313 (R): 4.038 ----- -4.009 -3.312 -0.330 ----- RESID 314 (H): 6.046 ----- -1.117 0.880 0.148 ----- RESID 315 (G): 0.911 ----- -1.597 0.352 ----- ----- RESID 316 (F): 3.074 ----- -1.288 -2.709 ----- ----- RESID 317 (L): 1.548 ----- -1.866 -1.711 -1.737 ----- RESID 318 (K): 1.824 ----- -1.591 -3.054 -1.758 ----- RESID 319 (I): 1.647 ----- -2.089 0.997 -1.101 ----- RESID 320 (L): 0.788 ----- -1.573 -2.110 -1.699 ----- RESID 321 (A): 1.356 ----- -2.217 0.223 -0.705 ----- RESID 322 (M): 4.155 ----- -3.865 0.825 ----- ----- RESID 323 (H): 3.131 ----- -2.508 -1.594 1.055 ----- DATA CS_STAT_INFO N RMS: 3.809 ppm Count: 283 Average Difference: -1.926 +/- 3.292 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 2.631 ppm Count: 278 Average Difference: 1.337 +/- 2.270 ppm DATA CS_STAT_INFO CA RMS: 2.405 ppm Count: 287 Average Difference: 1.064 +/- 2.161 ppm DATA CS_STAT_INFO CB RMS: 2.548 ppm Count: 226 Average Difference: 0.501 +/- 2.504 ppm DATA CS_STAT_INFO HN RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm ############################################################################ For conformer 5: Atom Original Corrected SPARTA Difference RESID 30 (C): N 122.700 122.700 122.377 0.323 RESID 30 (C): C 177.500 177.500 176.609 0.891 RESID 30 (C): CA 56.000 56.000 57.962 -1.962 RESID 30 (C): CB 40.300 40.300 27.119 13.181 RESID 31 (M): N 117.900 117.900 117.050 0.850 RESID 31 (M): C 173.200 173.200 175.702 -2.502 RESID 31 (M): CA 58.150 58.150 56.889 1.261 RESID 31 (M): CB 31.100 31.100 30.050 1.050 RESID 32 (L): N 125.300 125.300 120.000 5.300 RESID 32 (L): C 173.500 173.500 177.838 -4.338 RESID 32 (L): CA 53.780 53.780 56.974 -3.194 RESID 32 (L): CB 39.660 39.660 42.376 -2.716 RESID 33 (E): N 129.900 129.900 118.069 11.831 RESID 33 (E): C 173.200 173.200 176.208 -3.008 RESID 33 (E): CA 55.900 55.900 57.038 -1.137 RESID 33 (E): CB 31.000 31.000 29.925 1.075 RESID 34 (T): N 113.900 113.900 115.074 -1.174 RESID 34 (T): C 172.500 172.500 174.975 -2.475 RESID 34 (T): CA 63.500 63.500 61.154 2.346 RESID 34 (T): CB 67.200 67.200 69.136 -1.936 RESID 35 (E): N 125.300 125.300 128.144 -2.844 RESID 35 (E): C 169.500 169.500 177.481 -7.981 RESID 35 (E): CA 55.840 55.840 59.273 -3.433 RESID 35 (E): CB 28.120 28.120 29.722 -1.602 RESID 36 (T): N 106.700 106.700 112.769 -6.069 RESID 36 (T): C 174.200 174.200 174.719 -0.519 RESID 36 (T): CA 65.000 65.000 64.475 0.525 RESID 37 (L): N 120.100 120.100 116.895 3.205 RESID 37 (L): C 177.500 177.500 177.053 0.447 RESID 37 (L): CA 56.400 56.400 54.908 1.492 RESID 37 (L): CB 39.800 39.800 39.214 0.586 RESID 38 (N): N 118.400 118.400 116.343 2.057 RESID 38 (N): C 177.600 177.600 176.940 0.660 RESID 38 (N): CA 55.900 55.900 56.082 -0.182 RESID 38 (N): CB 40.870 40.870 38.429 2.441 RESID 39 (K): N 121.500 121.500 120.658 0.842 RESID 39 (K): C 174.300 174.300 178.669 -4.369 RESID 39 (K): CA 56.700 56.700 59.422 -2.721 RESID 39 (K): CB 29.900 29.900 31.799 -1.899 RESID 40 (Y): N 120.100 120.100 119.957 0.143 RESID 40 (Y): C 176.800 176.800 178.154 -1.354 RESID 40 (Y): CA 58.200 58.200 60.218 -2.018 RESID 40 (Y): CB 40.000 40.000 38.018 1.982 RESID 41 (V): N 120.700 120.700 119.825 0.875 RESID 41 (V): C 176.000 176.000 177.660 -1.660 RESID 41 (V): CA 65.000 65.000 66.031 -1.030 RESID 41 (V): CB 29.750 29.750 31.153 -1.403 RESID 42 (V): N 121.200 121.200 120.208 0.992 RESID 42 (V): C 176.200 176.200 178.009 -1.809 RESID 42 (V): CA 65.560 65.560 67.184 -1.624 RESID 42 (V): CB 29.700 29.700 31.546 -1.846 RESID 43 (I): N 120.900 120.900 119.542 1.358 RESID 43 (I): C 177.000 177.000 177.691 -0.691 RESID 43 (I): CA 64.300 64.300 65.312 -1.012 RESID 43 (I): CB 36.600 36.600 37.576 -0.976 RESID 44 (I): N 120.500 120.500 120.025 0.475 RESID 44 (I): C 175.000 175.000 177.712 -2.712 RESID 44 (I): CA 59.700 59.700 63.084 -3.384 RESID 44 (I): CB 37.000 37.000 35.700 1.300 RESID 45 (A): N 121.600 121.600 122.841 -1.241 RESID 45 (A): C 175.700 175.700 179.674 -3.974 RESID 45 (A): CA 52.700 52.700 55.256 -2.556 RESID 45 (A): CB 16.600 16.600 17.858 -1.258 RESID 46 (Y): N 120.400 120.400 119.315 1.085 RESID 46 (Y): C 175.400 175.400 177.717 -2.317 RESID 46 (Y): CA 58.530 58.530 61.470 -2.940 RESID 46 (Y): CB 39.850 39.850 37.935 1.915 RESID 47 (A): N 124.700 124.700 122.984 1.716 RESID 47 (A): C 174.800 174.800 179.369 -4.569 RESID 47 (A): CA 53.800 53.800 55.235 -1.435 RESID 47 (A): CB 15.530 15.530 17.935 -2.405 RESID 48 (L): N 117.700 117.700 119.353 -1.653 RESID 48 (L): C 177.400 177.400 178.646 -1.246 RESID 48 (L): CA 56.860 56.860 57.741 -0.881 RESID 49 (V): N 118.400 118.400 120.015 -1.615 RESID 49 (V): C 181.100 181.100 178.082 3.018 RESID 49 (V): CA 67.800 67.800 66.687 1.113 RESID 49 (V): CB 29.900 29.900 31.454 -1.554 RESID 50 (F): N 124.700 124.700 117.489 7.211 RESID 50 (F): C 171.900 171.900 177.843 -5.943 RESID 50 (F): CA 61.600 61.600 61.190 0.410 RESID 50 (F): CB 42.620 42.620 38.410 4.210 RESID 51 (L): N 125.600 125.600 121.716 3.884 RESID 51 (L): C 176.600 176.600 178.159 -1.559 RESID 51 (L): CA 55.850 55.850 58.760 -2.910 RESID 51 (L): CB 40.220 40.220 41.868 -1.648 RESID 52 (L): N 122.800 122.800 116.372 6.428 RESID 52 (L): C 173.700 173.700 178.690 -4.990 RESID 52 (L): CA 56.300 56.300 58.608 -2.308 RESID 52 (L): CB 39.200 39.200 40.968 -1.768 RESID 53 (S): N 118.700 118.700 115.470 3.230 RESID 53 (S): C 173.000 173.000 176.785 -3.785 RESID 53 (S): CA 58.200 58.200 60.908 -2.708 RESID 54 (L): N 123.500 123.500 124.312 -0.812 RESID 54 (L): C 176.800 176.800 178.211 -1.411 RESID 54 (L): CA 56.400 56.400 58.561 -2.161 RESID 54 (L): CB 40.000 40.000 42.124 -2.124 RESID 55 (L): N 124.600 124.600 114.483 10.117 RESID 55 (L): C 177.200 177.200 179.176 -1.976 RESID 55 (L): CA 56.000 56.000 57.685 -1.685 RESID 55 (L): CB 40.000 40.000 40.739 -0.739 RESID 56 (G): N 109.600 109.600 107.881 1.719 RESID 56 (G): C 174.800 174.800 176.037 -1.237 RESID 56 (G): CA 47.400 47.400 46.966 0.434 RESID 57 (N): N 118.200 118.200 120.635 -2.435 RESID 57 (N): C 176.900 176.900 177.956 -1.056 RESID 57 (N): CA 55.700 55.700 56.095 -0.395 RESID 57 (N): CB 39.300 39.300 38.335 0.965 RESID 58 (S): N 111.300 111.300 116.149 -4.849 RESID 58 (S): C 180.100 180.100 176.831 3.269 RESID 58 (S): CA 59.900 59.900 61.734 -1.834 RESID 58 (S): CB 63.300 63.300 62.645 0.655 RESID 59 (L): N 121.100 121.100 122.778 -1.678 RESID 59 (L): C 177.400 177.400 178.682 -1.282 RESID 59 (L): CA 56.150 56.150 57.920 -1.770 RESID 59 (L): CB 41.000 41.000 41.331 -0.331 RESID 60 (V): N 119.300 119.300 119.926 -0.626 RESID 60 (V): C 175.200 175.200 177.971 -2.771 RESID 60 (V): CA 65.400 65.400 66.722 -1.322 RESID 60 (V): CB 29.500 29.500 31.852 -2.352 RESID 61 (M): N 118.900 118.900 120.551 -1.651 RESID 61 (M): C 176.500 176.500 177.571 -1.071 RESID 61 (M): CA 55.840 55.840 58.127 -2.287 RESID 62 (L): N 122.100 122.100 119.352 2.748 RESID 62 (L): C 177.700 177.700 179.152 -1.452 RESID 62 (L): CA 56.160 56.160 57.658 -1.498 RESID 62 (L): CB 39.110 39.110 41.440 -2.330 RESID 63 (V): N 121.100 121.100 120.071 1.029 RESID 63 (V): CA 64.850 64.850 66.739 -1.889 RESID 63 (V): CB 29.600 29.600 31.171 -1.571 RESID 64 (I): N 121.000 121.000 118.269 2.731 RESID 64 (I): C 175.100 175.100 179.076 -3.976 RESID 64 (I): CA 64.400 64.400 63.260 1.140 RESID 64 (I): CB 36.600 36.600 36.557 0.043 RESID 65 (L): N 119.000 119.000 121.544 -2.544 RESID 65 (L): C 173.800 173.800 178.222 -4.422 RESID 65 (L): CA 56.200 56.200 57.847 -1.647 RESID 65 (L): CB 39.300 39.300 41.872 -2.572 RESID 66 (Y): N 120.200 120.200 114.072 6.128 RESID 66 (Y): C 176.700 176.700 174.960 1.740 RESID 66 (Y): CA 58.340 58.340 58.324 0.016 RESID 66 (Y): CB 40.000 40.000 38.655 1.345 RESID 67 (S): N 116.700 116.700 115.913 0.787 RESID 67 (S): C 175.400 175.400 175.587 -0.187 RESID 67 (S): CA 60.000 60.000 57.059 2.941 RESID 67 (S): CB 62.000 62.000 63.537 -1.537 RESID 68 (R): N 121.500 121.500 127.364 -5.864 RESID 68 (R): C 175.300 175.300 177.306 -2.006 RESID 68 (R): CA 60.400 60.400 59.508 0.893 RESID 69 (V): N 120.600 120.600 117.551 3.049 RESID 69 (V): C 174.600 174.600 175.796 -1.196 RESID 69 (V): CA 65.800 65.800 63.209 2.591 RESID 69 (V): CB 29.850 29.850 31.239 -1.389 RESID 70 (G): N 110.700 110.700 108.394 2.306 RESID 70 (G): C 174.400 174.400 173.924 0.476 RESID 70 (G): CA 41.700 41.700 44.744 -3.044 RESID 71 (R): N 122.900 122.900 121.395 1.505 RESID 71 (R): C 176.500 176.500 175.046 1.454 RESID 71 (R): CA 56.800 56.800 54.284 2.516 RESID 71 (R): CB 29.900 29.900 28.636 1.264 RESID 72 (S): N 117.300 117.300 115.375 1.925 RESID 72 (S): C 174.300 174.300 175.649 -1.349 RESID 72 (S): CA 57.800 57.800 56.912 0.888 RESID 73 (V): N 120.400 120.400 120.473 -0.073 RESID 73 (V): C 175.700 175.700 177.274 -1.574 RESID 73 (V): CA 66.100 66.100 65.546 0.554 RESID 73 (V): CB 29.650 29.650 31.086 -1.436 RESID 74 (T): N 117.300 117.300 113.652 3.648 RESID 74 (T): C 175.800 175.800 175.367 0.433 RESID 74 (T): CA 64.000 64.000 64.852 -0.852 RESID 75 (D): N 122.900 122.900 123.238 -0.338 RESID 75 (D): C 176.500 176.500 178.229 -1.729 RESID 75 (D): CA 56.000 56.000 57.224 -1.224 RESID 75 (D): CB 40.300 40.300 40.084 0.216 RESID 76 (V): N 120.800 120.800 120.137 0.663 RESID 76 (V): C 175.600 175.600 177.430 -1.830 RESID 76 (V): CA 66.400 66.400 65.181 1.219 RESID 76 (V): CB 30.400 30.400 31.134 -0.734 RESID 77 (Y): N 123.800 123.800 119.393 4.407 RESID 77 (Y): C 175.700 175.700 177.567 -1.867 RESID 77 (Y): CA 60.560 60.560 61.575 -1.015 RESID 77 (Y): CB 37.000 37.000 38.532 -1.532 RESID 78 (L): N 121.000 121.000 119.726 1.274 RESID 78 (L): C 176.500 176.500 178.905 -2.405 RESID 78 (L): CA 55.900 55.900 57.604 -1.704 RESID 78 (L): CB 40.000 40.000 41.132 -1.132 RESID 79 (L): N 126.200 126.200 117.898 8.302 RESID 79 (L): C 176.000 176.000 178.324 -2.324 RESID 79 (L): CA 55.800 55.800 58.354 -2.554 RESID 79 (L): CB 40.240 40.240 40.274 -0.034 RESID 80 (N): N 121.300 121.300 119.132 2.168 RESID 80 (N): C 178.100 178.100 177.666 0.434 RESID 80 (N): CA 56.500 56.500 55.683 0.817 RESID 80 (N): CB 39.100 39.100 37.561 1.539 RESID 81 (L): N 124.100 124.100 121.829 2.271 RESID 81 (L): C 176.300 176.300 177.948 -1.648 RESID 81 (L): CA 56.000 56.000 58.081 -2.081 RESID 81 (L): CB 38.100 38.100 41.685 -3.586 RESID 82 (A): N 124.700 124.700 121.483 3.217 RESID 82 (A): C 177.500 177.500 179.414 -1.914 RESID 82 (A): CA 53.400 53.400 54.980 -1.579 RESID 82 (A): CB 18.300 18.300 17.993 0.307 RESID 83 (L): N 121.400 121.400 120.027 1.373 RESID 83 (L): C 176.500 176.500 178.414 -1.914 RESID 83 (L): CA 55.900 55.900 57.873 -1.973 RESID 83 (L): CB 40.200 40.200 41.821 -1.621 RESID 84 (A): N 123.900 123.900 120.966 2.934 RESID 84 (A): C 176.600 176.600 178.436 -1.836 RESID 84 (A): CA 54.400 54.400 54.928 -0.528 RESID 84 (A): CB 16.600 16.600 17.617 -1.017 RESID 85 (D): N 120.300 120.300 119.335 0.965 RESID 85 (D): C 178.400 178.400 178.072 0.328 RESID 85 (D): CA 56.330 56.330 56.993 -0.663 RESID 85 (D): CB 39.850 39.850 41.274 -1.424 RESID 86 (L): N 122.700 122.700 121.826 0.874 RESID 86 (L): C 173.600 173.600 179.007 -5.407 RESID 86 (L): CA 56.300 56.300 58.263 -1.963 RESID 86 (L): CB 39.500 39.500 41.340 -1.840 RESID 87 (L): N 122.000 122.000 119.851 2.149 RESID 87 (L): C 175.600 175.600 179.551 -3.951 RESID 87 (L): CA 56.150 56.150 58.347 -2.197 RESID 87 (L): CB 40.000 40.000 40.845 -0.845 RESID 88 (F): N 119.200 119.200 118.094 1.106 RESID 88 (F): C 173.900 173.900 179.214 -5.314 RESID 88 (F): CA 55.900 55.900 58.778 -2.878 RESID 88 (F): CB 40.400 40.400 36.804 3.596 RESID 89 (A): N 126.600 126.600 122.591 4.009 RESID 89 (A): C 172.900 172.900 179.996 -7.096 RESID 89 (A): CA 53.100 53.100 54.903 -1.803 RESID 89 (A): CB 17.000 17.000 18.180 -1.180 RESID 90 (L): N 119.700 119.700 118.628 1.072 RESID 90 (L): C 172.500 172.500 177.691 -5.191 RESID 90 (L): CA 56.500 56.500 57.630 -1.130 RESID 90 (L): CB 39.900 39.900 41.787 -1.887 RESID 91 (T): N 115.300 115.300 108.673 6.627 RESID 91 (T): C 176.400 176.400 176.162 0.238 RESID 91 (T): CA 60.000 60.000 63.167 -3.167 RESID 91 (T): CB 69.500 69.500 69.364 0.136 RESID 92 (L): N 123.000 123.000 124.061 -1.061 RESID 92 (L): C 175.400 175.400 176.146 -0.746 RESID 92 (L): CA 55.600 55.600 59.868 -4.268 RESID 92 (L): CB 40.800 40.800 39.310 1.490 RESID 94 (I): N 121.000 121.000 116.634 4.366 RESID 94 (I): C 176.800 176.800 178.214 -1.414 RESID 94 (I): CA 64.300 64.300 62.801 1.499 RESID 94 (I): CB 36.600 36.600 36.576 0.024 RESID 95 (W): N 120.500 120.500 123.169 -2.669 RESID 95 (W): C 176.700 176.700 177.588 -0.888 RESID 95 (W): CA 58.100 58.100 60.822 -2.722 RESID 95 (W): CB 29.000 29.000 28.569 0.431 RESID 96 (A): N 126.300 126.300 120.433 5.867 RESID 96 (A): C 178.300 178.300 179.308 -1.008 RESID 96 (A): CA 52.400 52.400 54.271 -1.871 RESID 96 (A): CB 20.400 20.400 17.463 2.937 RESID 97 (A): N 123.200 123.200 121.244 1.956 RESID 97 (A): C 178.000 178.000 179.824 -1.824 RESID 97 (A): CA 53.600 53.600 54.695 -1.095 RESID 97 (A): CB 16.700 16.700 18.049 -1.349 RESID 98 (S): N 109.400 109.400 111.992 -2.592 RESID 98 (S): CA 63.000 63.000 60.638 2.362 RESID 99 (K): N 121.500 121.500 120.224 1.276 RESID 99 (K): C 177.300 177.300 178.366 -1.066 RESID 99 (K): CA 56.100 56.100 56.575 -0.475 RESID 99 (K): CB 30.700 30.700 32.734 -2.034 RESID 100 (V): N 121.200 121.200 120.406 0.794 RESID 100 (V): C 176.300 176.300 177.393 -1.093 RESID 100 (V): CA 64.900 64.900 65.639 -0.739 RESID 100 (V): CB 29.850 29.850 31.863 -2.013 RESID 101 (N): N 116.700 116.700 116.335 0.365 RESID 101 (N): C 173.800 173.800 176.512 -2.712 RESID 101 (N): CA 52.300 52.300 54.371 -2.071 RESID 101 (N): CB 39.700 39.700 38.869 0.831 RESID 102 (G): N 109.500 109.500 106.395 3.105 RESID 102 (G): C 174.600 174.600 172.074 2.526 RESID 102 (G): CA 45.900 45.900 44.310 1.590 RESID 103 (W): N 117.700 117.700 117.196 0.504 RESID 103 (W): C 173.900 173.900 174.559 -0.659 RESID 103 (W): CA 58.000 58.000 55.150 2.850 RESID 103 (W): CB 31.000 31.000 31.428 -0.428 RESID 104 (I): N 124.300 124.300 116.402 7.898 RESID 104 (I): C 175.700 175.700 173.996 1.704 RESID 104 (I): CA 60.400 60.400 60.223 0.177 RESID 104 (I): CB 35.600 35.600 41.429 -5.829 RESID 105 (F): N 121.100 121.100 119.330 1.770 RESID 105 (F): C 177.200 177.200 174.607 2.593 RESID 105 (F): CA 55.700 55.700 57.718 -2.018 RESID 105 (F): CB 40.500 40.500 40.532 -0.032 RESID 106 (G): N 110.000 110.000 112.919 -2.919 RESID 106 (G): C 174.500 174.500 173.136 1.364 RESID 106 (G): CA 41.900 41.900 44.399 -2.499 RESID 107 (T): N 114.700 114.700 115.176 -0.476 RESID 107 (T): C 173.500 173.500 174.880 -1.380 RESID 107 (T): CA 60.500 60.500 61.324 -0.824 RESID 107 (T): CB 69.700 69.700 69.017 0.683 RESID 108 (F): N 124.200 124.200 121.307 2.893 RESID 108 (F): C 173.500 173.500 176.773 -3.273 RESID 108 (F): CA 60.000 60.000 60.931 -0.931 RESID 108 (F): CB 37.030 37.030 37.684 -0.654 RESID 109 (L): N 123.200 123.200 119.791 3.409 RESID 109 (L): C 176.000 176.000 178.665 -2.665 RESID 109 (L): CA 55.500 55.500 58.303 -2.803 RESID 109 (L): CB 40.900 40.900 40.009 0.891 RESID 110 (C): N 117.600 117.600 119.619 -2.019 RESID 110 (C): C 176.700 176.700 176.822 -0.122 RESID 110 (C): CA 55.700 55.700 61.368 -5.668 RESID 110 (C): CB 39.400 39.400 25.243 14.157 RESID 111 (K): N 121.600 121.600 120.641 0.959 RESID 111 (K): C 176.400 176.400 176.908 -0.508 RESID 111 (K): CA 57.300 57.300 59.118 -1.818 RESID 111 (K): CB 30.000 30.000 32.490 -2.490 RESID 112 (V): N 123.600 123.600 116.853 6.747 RESID 112 (V): C 174.100 174.100 177.555 -3.455 RESID 112 (V): CA 68.000 68.000 64.661 3.339 RESID 113 (V): N 127.800 127.800 120.808 6.992 RESID 113 (V): C 169.600 169.600 177.468 -7.868 RESID 113 (V): CA 68.800 68.800 67.129 1.671 RESID 114 (S): N 117.500 117.500 114.568 2.932 RESID 114 (S): C 175.200 175.200 176.058 -0.858 RESID 114 (S): CA 60.200 60.200 61.068 -0.868 RESID 114 (S): CB 61.890 61.890 62.690 -0.800 RESID 115 (L): N 120.000 120.000 123.973 -3.973 RESID 115 (L): C 173.700 173.700 178.552 -4.852 RESID 115 (L): CA 55.900 55.900 58.008 -2.108 RESID 115 (L): CB 40.600 40.600 41.090 -0.490 RESID 116 (L): N 126.000 126.000 116.868 9.132 RESID 116 (L): C 177.800 177.800 178.450 -0.650 RESID 116 (L): CA 55.900 55.900 57.853 -1.953 RESID 116 (L): CB 40.250 40.250 41.228 -0.978 RESID 117 (K): N 120.900 120.900 120.161 0.739 RESID 117 (K): C 173.200 173.200 178.194 -4.994 RESID 117 (K): CA 57.000 57.000 59.078 -2.079 RESID 117 (K): CB 29.800 29.800 31.485 -1.685 RESID 118 (E): N 118.900 118.900 118.074 0.826 RESID 118 (E): C 177.100 177.100 178.057 -0.957 RESID 118 (E): CA 55.300 55.300 58.911 -3.611 RESID 118 (E): CB 28.000 28.000 28.961 -0.961 RESID 119 (V): N 123.400 123.400 117.025 6.375 RESID 119 (V): C 173.600 173.600 176.726 -3.126 RESID 119 (V): CA 65.330 65.330 66.035 -0.705 RESID 119 (V): CB 29.250 29.250 31.585 -2.335 RESID 120 (N): N 120.300 120.300 118.919 1.381 RESID 120 (N): C 174.500 174.500 177.241 -2.741 RESID 120 (N): CA 55.800 55.800 55.963 -0.163 RESID 120 (N): CB 38.900 38.900 37.972 0.928 RESID 121 (F): N 123.600 123.600 119.303 4.297 RESID 121 (F): C 175.500 175.500 178.390 -2.890 RESID 121 (F): CA 60.500 60.500 60.344 0.156 RESID 121 (F): CB 37.000 37.000 37.967 -0.967 RESID 122 (Y): N 120.500 120.500 115.417 5.083 RESID 122 (Y): C 176.100 176.100 178.165 -2.065 RESID 122 (Y): CA 60.900 60.900 57.027 3.873 RESID 122 (Y): CB 37.300 37.300 36.892 0.407 RESID 123 (S): N 124.600 124.600 116.587 8.013 RESID 123 (S): C 173.900 173.900 177.284 -3.384 RESID 123 (S): CA 57.740 57.740 62.290 -4.550 RESID 123 (S): CB 59.870 59.870 62.533 -2.663 RESID 124 (G): N 107.700 107.700 109.634 -1.934 RESID 124 (G): C 171.000 171.000 175.667 -4.667 RESID 124 (G): CA 42.750 42.750 47.353 -4.603 RESID 125 (I): N 119.500 119.500 123.174 -3.674 RESID 125 (I): C 175.200 175.200 177.546 -2.346 RESID 125 (I): CA 62.950 62.950 64.193 -1.243 RESID 125 (I): CB 36.960 36.960 38.190 -1.230 RESID 126 (L): N 122.300 122.300 119.390 2.910 RESID 126 (L): C 173.600 173.600 179.195 -5.595 RESID 126 (L): CA 56.250 56.250 57.565 -1.315 RESID 127 (L): N 126.500 126.500 121.200 5.300 RESID 127 (L): C 176.100 176.100 179.007 -2.907 RESID 127 (L): CA 55.220 55.220 58.287 -3.067 RESID 127 (L): CB 41.670 41.670 41.219 0.451 RESID 128 (L): N 121.000 121.000 119.723 1.277 RESID 128 (L): C 175.600 175.600 178.264 -2.664 RESID 128 (L): CA 57.170 57.170 58.117 -0.947 RESID 128 (L): CB 40.300 40.300 41.502 -1.202 RESID 129 (A): N 125.800 125.800 122.970 2.830 RESID 129 (A): C 176.000 176.000 180.016 -4.016 RESID 129 (A): CA 52.970 52.970 55.098 -2.128 RESID 129 (A): CB 17.000 17.000 17.757 -0.757 RESID 130 (C): N 120.300 120.300 116.861 3.439 RESID 130 (C): C 177.000 177.000 176.880 0.120 RESID 130 (C): CA 62.070 62.070 64.062 -1.992 RESID 130 (C): CB 29.880 29.880 27.280 2.600 RESID 131 (I): N 121.300 121.300 122.192 -0.892 RESID 131 (I): C 174.000 174.000 178.025 -4.025 RESID 131 (I): CA 63.080 63.080 64.040 -0.960 RESID 131 (I): CB 36.220 36.220 37.750 -1.530 RESID 132 (S): N 117.700 117.700 116.598 1.102 RESID 132 (S): C 175.100 175.100 177.184 -2.084 RESID 132 (S): CA 63.990 63.990 62.139 1.851 RESID 132 (S): CB 66.120 66.120 62.596 3.525 RESID 133 (V): N 129.800 129.800 123.476 6.324 RESID 133 (V): C 177.700 177.700 177.809 -0.109 RESID 133 (V): CA 68.050 68.050 66.932 1.118 RESID 134 (D): N 124.000 124.000 120.281 3.719 RESID 134 (D): C 174.100 174.100 179.124 -5.024 RESID 134 (D): CA 57.500 57.500 57.166 0.334 RESID 134 (D): CB 40.400 40.400 40.203 0.197 RESID 135 (R): N 124.200 124.200 120.633 3.567 RESID 135 (R): C 174.400 174.400 178.898 -4.498 RESID 135 (R): CA 58.420 58.420 58.656 -0.236 RESID 135 (R): CB 30.700 30.700 29.780 0.920 RESID 136 (Y): N 121.000 121.000 119.696 1.304 RESID 136 (Y): C 176.400 176.400 177.969 -1.569 RESID 136 (Y): CA 60.250 60.250 60.870 -0.619 RESID 136 (Y): CB 37.350 37.350 38.059 -0.709 RESID 137 (L): N 121.400 121.400 117.475 3.925 RESID 137 (L): C 173.700 173.700 177.958 -4.258 RESID 137 (L): CA 54.870 54.870 56.569 -1.699 RESID 137 (L): CB 41.670 41.670 42.250 -0.580 RESID 138 (A): N 125.800 125.800 120.360 5.440 RESID 138 (A): C 176.100 176.100 177.785 -1.685 RESID 138 (A): CA 52.860 52.860 54.011 -1.151 RESID 138 (A): CB 17.270 17.270 19.597 -2.327 RESID 139 (I): N 120.000 120.000 116.183 3.817 RESID 139 (I): C 175.700 175.700 175.007 0.693 RESID 139 (I): CA 60.000 60.000 61.592 -1.592 RESID 139 (I): CB 30.290 30.290 39.384 -9.094 RESID 140 (V): N 118.700 118.700 118.565 0.135 RESID 140 (V): C 173.900 173.900 175.248 -1.348 RESID 140 (V): CA 61.920 61.920 61.557 0.363 RESID 140 (V): CB 30.900 30.900 32.530 -1.630 RESID 141 (H): N 117.200 117.200 122.607 -5.407 RESID 141 (H): C 177.900 177.900 173.651 4.249 RESID 141 (H): CA 58.860 58.860 56.212 2.648 RESID 141 (H): CB 30.090 30.090 29.810 0.280 RESID 142 (A): N 121.200 121.200 125.157 -3.957 RESID 142 (A): C 174.600 174.600 176.675 -2.075 RESID 142 (A): CA 53.170 53.170 52.042 1.128 RESID 142 (A): CB 16.580 16.580 18.846 -2.267 RESID 143 (T): N 118.000 118.000 116.559 1.441 RESID 143 (T): C 177.000 177.000 174.475 2.525 RESID 143 (T): CA 62.520 62.520 64.691 -2.171 RESID 143 (T): CB 64.330 64.330 68.392 -4.062 RESID 144 (R): CA 57.250 57.250 57.775 -0.525 RESID 144 (R): CB 30.340 30.340 31.183 -0.843 RESID 145 (T): N 119.700 119.700 110.664 9.036 RESID 145 (T): C 177.000 177.000 174.186 2.814 RESID 145 (T): CA 62.370 62.370 62.453 -0.083 RESID 145 (T): CB 64.120 64.120 69.327 -5.207 RESID 146 (L): N 127.900 127.900 124.638 3.262 RESID 146 (L): C 173.200 173.200 175.222 -2.022 RESID 146 (L): CA 55.790 55.790 55.202 0.588 RESID 146 (L): CB 40.570 40.570 41.834 -1.264 RESID 147 (T): N 124.000 124.000 117.044 6.956 RESID 147 (T): C 177.700 177.700 173.563 4.137 RESID 147 (T): CA 62.050 62.050 61.456 0.594 RESID 147 (T): CB 63.770 63.770 71.174 -7.404 RESID 148 (Q): N 122.800 122.800 122.062 0.738 RESID 148 (Q): C 176.700 176.700 176.996 -0.296 RESID 148 (Q): CA 53.470 53.470 56.476 -3.006 RESID 148 (Q): CB 29.310 29.310 30.020 -0.710 RESID 149 (K): N 120.900 120.900 123.246 -2.346 RESID 149 (K): C 175.900 175.900 178.382 -2.482 RESID 149 (K): CA 59.440 59.440 58.979 0.461 RESID 150 (R): N 122.200 122.200 119.224 2.976 RESID 150 (R): C 177.500 177.500 178.262 -0.762 RESID 150 (R): CA 56.700 56.700 59.229 -2.529 RESID 150 (R): CB 31.150 31.150 28.948 2.203 RESID 151 (H): N 117.300 117.300 118.176 -0.876 RESID 151 (H): C 177.800 177.800 177.312 0.488 RESID 151 (H): CA 59.130 59.130 59.188 -0.058 RESID 151 (H): CB 29.400 29.400 29.424 -0.024 RESID 152 (L): N 120.400 120.400 120.057 0.343 RESID 152 (L): C 176.800 176.800 178.842 -2.042 RESID 152 (L): CA 56.150 56.150 58.149 -1.999 RESID 152 (L): CB 39.810 39.810 41.405 -1.595 RESID 153 (V): N 121.500 121.500 118.657 2.843 RESID 153 (V): C 174.300 174.300 177.821 -3.521 RESID 153 (V): CA 61.240 61.240 65.676 -4.436 RESID 154 (K): N 117.000 117.000 121.373 -4.373 RESID 154 (K): C 175.300 175.300 178.469 -3.169 RESID 154 (K): CA 59.000 59.000 59.406 -0.406 RESID 155 (F): N 121.100 121.100 119.547 1.553 RESID 155 (F): C 176.600 176.600 177.601 -1.001 RESID 155 (F): CA 61.200 61.200 62.059 -0.859 RESID 156 (V): N 123.800 123.800 120.333 3.467 RESID 156 (V): C 177.700 177.700 177.540 0.160 RESID 156 (V): CA 62.170 62.170 66.148 -3.978 RESID 156 (V): CB 33.400 33.400 31.324 2.076 RESID 157 (C): CA 58.260 58.260 63.166 -4.907 RESID 158 (L): N 122.900 122.900 121.832 1.068 RESID 158 (L): C 175.500 175.500 178.930 -3.430 RESID 158 (L): CA 55.750 55.750 58.756 -3.006 RESID 159 (G): N 104.900 104.900 106.073 -1.173 RESID 159 (G): C 176.200 176.200 176.299 -0.099 RESID 159 (G): CA 44.750 44.750 47.200 -2.450 RESID 160 (C): N 116.700 116.700 120.880 -4.180 RESID 160 (C): C 181.100 181.100 176.572 4.528 RESID 160 (C): CA 59.000 59.000 63.094 -4.094 RESID 160 (C): CB 29.130 29.130 27.526 1.604 RESID 161 (W): N 119.000 119.000 120.986 -1.986 RESID 161 (W): C 174.900 174.900 178.567 -3.667 RESID 161 (W): CA 55.880 55.880 60.096 -4.215 RESID 162 (G): N 108.300 108.300 106.551 1.749 RESID 162 (G): C 173.600 173.600 175.998 -2.398 RESID 162 (G): CA 45.100 45.100 47.337 -2.237 RESID 163 (L): N 120.200 120.200 122.846 -2.646 RESID 163 (L): C 173.500 173.500 179.061 -5.561 RESID 163 (L): CA 55.800 55.800 57.567 -1.767 RESID 163 (L): CB 39.850 39.850 41.080 -1.230 RESID 164 (S): N 117.200 117.200 114.333 2.867 RESID 164 (S): C 175.000 175.000 176.698 -1.698 RESID 164 (S): CA 55.600 55.600 61.580 -5.980 RESID 164 (S): CB 65.660 65.660 63.181 2.479 RESID 165 (M): N 121.200 121.200 122.548 -1.348 RESID 165 (M): C 175.500 175.500 177.586 -2.086 RESID 165 (M): CA 57.600 57.600 58.331 -0.731 RESID 165 (M): CB 30.000 30.000 32.639 -2.639 RESID 166 (N): N 120.200 120.200 118.674 1.526 RESID 166 (N): C 176.500 176.500 177.067 -0.567 RESID 166 (N): CA 56.080 56.080 55.369 0.711 RESID 166 (N): CB 38.940 38.940 38.372 0.568 RESID 167 (L): N 120.800 120.800 119.282 1.518 RESID 167 (L): C 177.200 177.200 177.926 -0.726 RESID 167 (L): CA 64.900 64.900 57.186 7.714 RESID 167 (L): CB 36.400 36.400 41.106 -4.706 RESID 168 (S): N 119.400 119.400 112.990 6.410 RESID 168 (S): C 174.100 174.100 176.577 -2.477 RESID 168 (S): CA 55.700 55.700 59.172 -3.472 RESID 168 (S): CB 57.600 57.600 63.402 -5.802 RESID 169 (L): N 122.900 122.900 124.290 -1.390 RESID 169 (L): C 177.500 177.500 175.006 2.494 RESID 169 (L): CA 56.460 56.460 59.774 -3.314 RESID 169 (L): CB 39.200 39.200 40.267 -1.067 RESID 171 (F): N 118.600 118.600 117.193 1.407 RESID 171 (F): C 173.600 173.600 176.219 -2.619 RESID 171 (F): CA 61.700 61.700 60.184 1.516 RESID 172 (F): N 116.300 116.300 116.241 0.059 RESID 172 (F): C 174.200 174.200 177.243 -3.043 RESID 172 (F): CA 59.500 59.500 60.023 -0.523 RESID 172 (F): CB 42.000 42.000 38.811 3.189 RESID 173 (L): N 120.400 120.400 118.556 1.844 RESID 173 (L): C 177.300 177.300 178.241 -0.941 RESID 173 (L): CA 54.730 54.730 57.771 -3.041 RESID 173 (L): CB 37.230 37.230 42.453 -5.223 RESID 174 (F): N 121.200 121.200 114.049 7.151 RESID 174 (F): C 177.000 177.000 173.955 3.045 RESID 174 (F): CA 59.000 59.000 57.238 1.762 RESID 174 (F): CB 43.220 43.220 41.563 1.657 RESID 175 (R): N 118.500 118.500 120.853 -2.353 RESID 175 (R): C 178.400 178.400 176.906 1.494 RESID 175 (R): CA 56.200 56.200 57.097 -0.897 RESID 176 (Q): N 122.100 122.100 118.623 3.477 RESID 176 (Q): C 178.000 178.000 173.972 4.028 RESID 176 (Q): CA 56.200 56.200 57.766 -1.566 RESID 177 (A): N 123.200 123.200 118.264 4.936 RESID 177 (A): C 176.900 176.900 175.352 1.548 RESID 177 (A): CA 54.300 54.300 51.615 2.685 RESID 177 (A): CB 16.870 16.870 20.129 -3.259 RESID 178 (Y): N 120.700 120.700 118.867 1.833 RESID 178 (Y): C 174.800 174.800 175.672 -0.872 RESID 178 (Y): CA 56.600 56.600 57.528 -0.928 RESID 178 (Y): CB 39.900 39.900 38.878 1.022 RESID 179 (H): N 119.600 119.600 120.297 -0.697 RESID 179 (H): C 176.600 176.600 173.932 2.668 RESID 179 (H): CA 58.220 58.220 53.956 4.264 RESID 179 (H): CB 31.560 31.560 30.270 1.290 RESID 181 (N): N 119.200 119.200 116.732 2.468 RESID 181 (N): C 172.500 172.500 174.497 -1.997 RESID 181 (N): CA 56.150 56.150 52.505 3.646 RESID 181 (N): CB 36.500 36.500 41.838 -5.338 RESID 182 (N): N 114.100 114.100 120.546 -6.446 RESID 182 (N): C 175.800 175.800 173.652 2.148 RESID 182 (N): CA 55.500 55.500 55.297 0.203 RESID 183 (S): N 117.200 117.200 116.782 0.418 RESID 183 (S): C 175.600 175.600 172.751 2.849 RESID 183 (S): CA 55.400 55.400 57.813 -2.413 RESID 183 (S): CB 63.800 63.800 62.633 1.167 RESID 184 (S): N 117.000 117.000 115.348 1.652 RESID 184 (S): C 175.000 175.000 171.959 3.041 RESID 184 (S): CA 55.500 55.500 56.012 -0.512 RESID 184 (S): CB 63.800 63.800 65.148 -1.348 RESID 186 (V): N 119.500 119.500 122.241 -2.741 RESID 186 (V): C 175.300 175.300 174.893 0.407 RESID 186 (V): CA 65.290 65.290 62.038 3.252 RESID 186 (V): CB 30.120 30.120 33.148 -3.028 RESID 187 (C): N 116.500 116.500 127.497 -10.997 RESID 187 (C): C 176.300 176.300 173.171 3.129 RESID 187 (C): CA 56.000 56.000 59.090 -3.090 RESID 187 (C): CB 40.000 40.000 29.287 10.713 RESID 188 (Y): N 121.300 121.300 122.679 -1.379 RESID 188 (Y): C 176.500 176.500 174.251 2.249 RESID 188 (Y): CA 55.860 55.860 56.450 -0.590 RESID 188 (Y): CB 40.240 40.240 41.721 -1.481 RESID 189 (E): N 122.000 122.000 120.797 1.203 RESID 189 (E): C 175.500 175.500 176.487 -0.987 RESID 189 (E): CA 57.900 57.900 56.827 1.073 RESID 189 (E): CB 31.840 31.840 29.990 1.850 RESID 190 (V): N 123.500 123.500 116.566 6.934 RESID 190 (V): C 172.800 172.800 176.454 -3.654 RESID 190 (V): CA 65.670 65.670 63.039 2.631 RESID 190 (V): CB 29.200 29.200 31.999 -2.799 RESID 191 (L): N 129.900 129.900 126.301 3.599 RESID 191 (L): CA 55.500 55.500 57.144 -1.644 RESID 192 (G): N 107.500 107.500 101.712 5.788 RESID 192 (G): C 173.500 173.500 173.925 -0.425 RESID 192 (G): CA 44.870 44.870 44.451 0.419 RESID 193 (N): N 116.600 116.600 117.149 -0.549 RESID 193 (N): CA 52.800 52.800 55.573 -2.773 RESID 193 (N): CB 39.560 39.560 38.816 0.744 RESID 194 (D): N 123.100 123.100 115.921 7.179 RESID 194 (D): C 172.800 172.800 176.524 -3.724 RESID 194 (D): CA 53.900 53.900 54.586 -0.686 RESID 194 (D): CB 39.700 39.700 40.020 -0.320 RESID 195 (T): N 118.800 118.800 111.560 7.240 RESID 195 (T): C 175.500 175.500 175.865 -0.365 RESID 195 (T): CA 63.000 63.000 64.977 -1.977 RESID 196 (A): N 123.300 123.300 124.111 -0.811 RESID 196 (A): C 173.000 173.000 177.460 -4.460 RESID 196 (A): CA 53.800 53.800 54.584 -0.784 RESID 196 (A): CB 17.240 17.240 18.944 -1.704 RESID 197 (K): N 121.700 121.700 112.042 9.658 RESID 197 (K): C 175.000 175.000 176.328 -1.328 RESID 197 (K): CA 56.900 56.900 55.121 1.779 RESID 197 (K): CB 29.900 29.900 32.992 -3.091 RESID 198 (W): N 120.700 120.700 117.992 2.708 RESID 198 (W): C 177.600 177.600 176.640 0.960 RESID 198 (W): CA 59.300 59.300 57.173 2.127 RESID 198 (W): CB 29.700 29.700 25.534 4.166 RESID 199 (R): N 123.500 123.500 119.373 4.127 RESID 199 (R): C 178.100 178.100 177.819 0.281 RESID 199 (R): CA 55.950 55.950 58.685 -2.735 RESID 199 (R): CB 31.060 31.060 29.608 1.452 RESID 200 (M): N 119.900 119.900 120.797 -0.897 RESID 200 (M): C 175.400 175.400 177.934 -2.534 RESID 200 (M): CA 58.100 58.100 59.032 -0.932 RESID 200 (M): CB 31.100 31.100 32.615 -1.515 RESID 201 (V): N 123.700 123.700 117.306 6.394 RESID 201 (V): C 174.900 174.900 177.505 -2.605 RESID 201 (V): CA 65.700 65.700 65.452 0.248 RESID 201 (V): CB 29.180 29.180 30.770 -1.590 RESID 202 (L): N 124.000 124.000 121.466 2.534 RESID 202 (L): C 172.700 172.700 178.008 -5.308 RESID 202 (L): CA 54.800 54.800 58.134 -3.334 RESID 203 (R): N 124.000 124.000 118.478 5.522 RESID 203 (R): C 176.200 176.200 178.724 -2.524 RESID 203 (R): CA 55.800 55.800 58.969 -3.169 RESID 203 (R): CB 31.260 31.260 29.428 1.832 RESID 204 (I): N 120.500 120.500 120.478 0.022 RESID 204 (I): C 176.000 176.000 177.891 -1.891 RESID 204 (I): CA 64.700 64.700 64.017 0.683 RESID 204 (I): CB 36.400 36.400 38.478 -2.078 RESID 205 (L): N 123.400 123.400 121.129 2.271 RESID 205 (L): C 176.000 176.000 175.985 0.015 RESID 205 (L): CA 55.000 55.000 60.370 -5.370 RESID 206 (P): CA 62.500 62.500 65.826 -3.326 RESID 207 (H): N 113.500 113.500 117.799 -4.299 RESID 207 (H): C 175.200 175.200 177.037 -1.837 RESID 207 (H): CA 53.110 53.110 59.318 -6.208 RESID 207 (H): CB 30.000 30.000 29.581 0.419 RESID 208 (T): N 122.100 122.100 116.065 6.035 RESID 208 (T): C 178.000 178.000 175.951 2.049 RESID 208 (T): CA 62.850 62.850 66.423 -3.573 RESID 209 (F): N 117.500 117.500 120.357 -2.857 RESID 209 (F): C 175.400 175.400 176.188 -0.788 RESID 209 (F): CA 59.850 59.850 58.680 1.170 RESID 210 (G): N 111.700 111.700 107.121 4.579 RESID 210 (G): C 174.100 174.100 174.313 -0.213 RESID 210 (G): CA 45.000 45.000 46.059 -1.059 RESID 211 (F): N 120.900 120.900 117.612 3.288 RESID 211 (F): C 175.000 175.000 176.378 -1.378 RESID 211 (F): CA 55.950 55.950 58.893 -2.943 RESID 212 (I): N 120.100 120.100 120.689 -0.589 RESID 212 (I): C 175.900 175.900 176.591 -0.691 RESID 212 (I): CA 64.440 64.440 64.339 0.101 RESID 212 (I): CB 36.600 36.600 37.325 -0.725 RESID 213 (V): N 123.400 123.400 118.968 4.432 RESID 213 (V): C 175.300 175.300 175.027 0.273 RESID 213 (V): CA 65.750 65.750 67.636 -1.886 RESID 213 (V): CB 29.680 29.680 29.091 0.589 RESID 215 (L): N 125.300 125.300 119.350 5.950 RESID 215 (L): C 177.200 177.200 178.457 -1.257 RESID 215 (L): CA 55.700 55.700 57.732 -2.032 RESID 215 (L): CB 40.150 40.150 40.848 -0.698 RESID 216 (F): N 123.800 123.800 116.480 7.320 RESID 216 (F): C 179.200 179.200 177.410 1.790 RESID 216 (F): CA 60.650 60.650 59.517 1.133 RESID 216 (F): CB 37.000 37.000 36.732 0.268 RESID 217 (V): N 118.500 118.500 119.523 -1.023 RESID 217 (V): C 175.400 175.400 177.764 -2.364 RESID 217 (V): CA 65.660 65.660 66.446 -0.786 RESID 217 (V): CB 29.920 29.920 30.910 -0.990 RESID 218 (M): N 118.300 118.300 118.629 -0.329 RESID 218 (M): C 174.400 174.400 179.052 -4.652 RESID 218 (M): CA 55.000 55.000 56.427 -1.427 RESID 218 (M): CB 31.650 31.650 30.468 1.181 RESID 219 (L): N 120.500 120.500 118.733 1.767 RESID 219 (L): C 177.600 177.600 179.717 -2.117 RESID 219 (L): CA 55.800 55.800 57.561 -1.761 RESID 219 (L): CB 40.810 40.810 40.756 0.054 RESID 220 (F): N 124.700 124.700 118.425 6.275 RESID 220 (F): C 176.000 176.000 178.452 -2.452 RESID 220 (F): CA 61.170 61.170 58.584 2.586 RESID 221 (C): N 117.800 117.800 118.430 -0.630 RESID 221 (C): C 176.000 176.000 176.947 -0.947 RESID 221 (C): CA 61.870 61.870 62.468 -0.598 RESID 222 (Y): N 122.000 122.000 124.813 -2.813 RESID 222 (Y): C 178.400 178.400 178.237 0.163 RESID 222 (Y): CA 57.500 57.500 61.829 -4.329 RESID 222 (Y): CB 37.150 37.150 38.109 -0.959 RESID 223 (G): N 110.300 110.300 106.249 4.051 RESID 223 (G): C 174.500 174.500 175.990 -1.490 RESID 223 (G): CA 41.700 41.700 46.974 -5.274 RESID 224 (F): N 120.100 120.100 121.278 -1.178 RESID 224 (F): C 176.500 176.500 178.409 -1.909 RESID 224 (F): CA 62.300 62.300 61.325 0.975 RESID 224 (F): CB 36.900 36.900 38.975 -2.075 RESID 225 (T): N 118.500 118.500 116.735 1.765 RESID 225 (T): C 175.000 175.000 176.080 -1.080 RESID 225 (T): CA 64.650 64.650 66.185 -1.535 RESID 226 (L): N 122.900 122.900 120.724 2.176 RESID 226 (L): C 177.200 177.200 177.812 -0.612 RESID 226 (L): CA 55.900 55.900 56.484 -0.584 RESID 226 (L): CB 39.400 39.400 40.669 -1.269 RESID 227 (R): N 121.000 121.000 118.901 2.099 RESID 227 (R): C 177.200 177.200 177.529 -0.329 RESID 227 (R): CA 54.600 54.600 58.585 -3.985 RESID 227 (R): CB 28.500 28.500 29.434 -0.934 RESID 228 (T): N 119.600 119.600 112.975 6.625 RESID 228 (T): C 176.900 176.900 175.361 1.539 RESID 228 (T): CA 64.750 64.750 63.644 1.106 RESID 228 (T): CB 66.560 66.560 70.675 -4.115 RESID 229 (L): N 125.600 125.600 124.744 0.856 RESID 229 (L): C 177.800 177.800 176.518 1.282 RESID 229 (L): CA 55.700 55.700 53.637 2.063 RESID 229 (L): CB 40.260 40.260 40.227 0.033 RESID 230 (F): N 121.900 121.900 124.116 -2.216 RESID 230 (F): C 176.900 176.900 176.877 0.023 RESID 230 (F): CA 58.770 58.770 61.597 -2.827 RESID 230 (F): CB 41.940 41.940 39.529 2.411 RESID 231 (K): N 121.600 121.600 119.331 2.269 RESID 231 (K): C 174.900 174.900 176.458 -1.558 RESID 231 (K): CA 56.000 56.000 57.050 -1.050 RESID 231 (K): CB 30.900 30.900 32.446 -1.546 RESID 232 (A): N 123.500 123.500 124.739 -1.239 RESID 232 (A): C 176.900 176.900 176.322 0.578 RESID 232 (A): CA 54.000 54.000 53.230 0.770 RESID 232 (A): CB 21.830 21.830 18.724 3.106 RESID 233 (H): N 123.500 123.500 120.952 2.548 RESID 233 (H): C 176.100 176.100 174.458 1.642 RESID 233 (H): CA 55.700 55.700 55.135 0.565 RESID 233 (H): CB 29.060 29.060 29.805 -0.745 RESID 234 (M): N 120.000 120.000 120.777 -0.777 RESID 234 (M): C 176.700 176.700 177.076 -0.376 RESID 234 (M): CA 58.000 58.000 55.200 2.800 RESID 234 (M): CB 31.810 31.810 33.153 -1.343 RESID 235 (G): N 109.600 109.600 110.555 -0.955 RESID 235 (G): C 173.300 173.300 175.789 -2.489 RESID 235 (G): CA 42.800 42.800 44.514 -1.714 RESID 236 (Q): N 116.800 116.800 124.179 -7.379 RESID 236 (Q): C 173.100 173.100 177.411 -4.311 RESID 236 (Q): CA 55.000 55.000 58.718 -3.718 RESID 236 (Q): CB 25.400 25.400 28.603 -3.203 RESID 237 (K): N 123.200 123.200 117.735 5.465 RESID 237 (K): C 178.100 178.100 176.552 1.548 RESID 237 (K): CA 56.000 56.000 58.136 -2.135 RESID 237 (K): CB 31.110 31.110 31.511 -0.401 RESID 238 (H): N 123.600 123.600 114.927 8.673 RESID 238 (H): C 177.000 177.000 177.247 -0.247 RESID 238 (H): CA 54.720 54.720 57.671 -2.951 RESID 238 (H): CB 30.000 30.000 32.863 -2.863 RESID 239 (R): N 122.100 122.100 121.405 0.695 RESID 239 (R): C 176.600 176.600 177.803 -1.203 RESID 239 (R): CA 55.650 55.650 58.609 -2.959 RESID 239 (R): CB 31.100 31.100 29.191 1.909 RESID 240 (A): N 121.800 121.800 122.102 -0.302 RESID 240 (A): C 175.900 175.900 179.558 -3.658 RESID 240 (A): CA 52.800 52.800 54.911 -2.111 RESID 240 (A): CB 16.700 16.700 18.155 -1.455 RESID 241 (M): N 120.200 120.200 116.997 3.203 RESID 241 (M): C 175.600 175.600 178.400 -2.800 RESID 241 (M): CA 58.100 58.100 58.120 -0.020 RESID 241 (M): CB 31.810 31.810 31.192 0.618 RESID 242 (R): N 121.200 121.200 120.462 0.738 RESID 242 (R): C 177.400 177.400 178.579 -1.179 RESID 242 (R): CA 56.000 56.000 58.771 -2.771 RESID 242 (R): CB 30.910 30.910 29.223 1.687 RESID 243 (V): N 119.700 119.700 119.285 0.415 RESID 243 (V): C 175.600 175.600 177.741 -2.141 RESID 243 (V): CA 65.470 65.470 66.134 -0.664 RESID 243 (V): CB 29.400 29.400 31.462 -2.062 RESID 244 (I): N 120.900 120.900 121.864 -0.964 RESID 244 (I): C 175.500 175.500 177.901 -2.401 RESID 244 (I): CA 64.600 64.600 65.266 -0.666 RESID 244 (I): CB 36.800 36.800 37.506 -0.706 RESID 245 (F): N 117.200 117.200 118.500 -1.300 RESID 245 (F): C 175.100 175.100 177.464 -2.364 RESID 245 (F): CA 60.200 60.200 62.037 -1.837 RESID 245 (F): CB 39.770 39.770 37.989 1.780 RESID 246 (A): N 122.300 122.300 123.030 -0.730 RESID 246 (A): C 177.700 177.700 179.451 -1.751 RESID 246 (A): CA 53.200 53.200 55.440 -2.240 RESID 246 (A): CB 16.880 16.880 17.953 -1.073 RESID 247 (V): N 121.000 121.000 117.232 3.768 RESID 247 (V): C 175.000 175.000 177.521 -2.521 RESID 247 (V): CA 66.450 66.450 66.370 0.080 RESID 247 (V): CB 29.550 29.550 31.802 -2.252 RESID 248 (V): N 122.300 122.300 120.688 1.612 RESID 248 (V): C 177.200 177.200 178.188 -0.988 RESID 248 (V): CA 64.860 64.860 67.562 -2.702 RESID 248 (V): CB 30.140 30.140 31.191 -1.051 RESID 249 (L): N 119.300 119.300 120.201 -0.901 RESID 249 (L): C 176.400 176.400 179.792 -3.392 RESID 249 (L): CA 56.180 56.180 58.175 -1.995 RESID 249 (L): CB 40.650 40.650 40.797 -0.147 RESID 250 (I): N 121.200 121.200 120.465 0.735 RESID 250 (I): C 176.900 176.900 178.280 -1.380 RESID 250 (I): CA 64.200 64.200 65.225 -1.025 RESID 250 (I): CB 36.700 36.700 37.722 -1.022 RESID 251 (F): N 125.100 125.100 119.915 5.185 RESID 251 (F): C 177.100 177.100 178.414 -1.314 RESID 251 (F): CA 59.800 59.800 61.601 -1.801 RESID 252 (L): N 118.800 118.800 119.372 -0.572 RESID 252 (L): C 176.700 176.700 179.245 -2.545 RESID 252 (L): CA 56.000 56.000 57.488 -1.488 RESID 252 (L): CB 40.700 40.700 41.432 -0.732 RESID 253 (L): N 121.800 121.800 121.251 0.549 RESID 253 (L): C 176.700 176.700 177.796 -1.096 RESID 253 (L): CA 56.220 56.220 58.372 -2.152 RESID 253 (L): CB 40.000 40.000 41.044 -1.044 RESID 254 (C): N 119.800 119.800 114.396 5.404 RESID 254 (C): C 176.800 176.800 177.128 -0.328 RESID 254 (C): CA 58.300 58.300 59.914 -1.614 RESID 254 (C): CB 28.040 28.040 29.351 -1.311 RESID 255 (W): N 121.300 121.300 121.871 -0.571 RESID 255 (W): C 178.400 178.400 176.854 1.546 RESID 255 (W): CA 56.940 56.940 58.427 -1.487 RESID 255 (W): CB 29.850 29.850 30.032 -0.182 RESID 256 (L): N 124.900 124.900 124.155 0.745 RESID 256 (L): C 177.700 177.700 175.708 1.992 RESID 256 (L): CA 55.840 55.840 58.099 -2.260 RESID 256 (L): CB 40.000 40.000 38.678 1.322 RESID 258 (Y): N 124.900 124.900 120.342 4.558 RESID 258 (Y): C 179.000 179.000 177.381 1.619 RESID 258 (Y): CA 58.330 58.330 61.168 -2.838 RESID 258 (Y): CB 42.070 42.070 38.109 3.961 RESID 259 (N): N 123.000 123.000 117.959 5.041 RESID 259 (N): C 173.000 173.000 177.393 -4.393 RESID 259 (N): CA 53.900 53.900 56.259 -2.359 RESID 259 (N): CB 37.620 37.620 38.602 -0.982 RESID 260 (L): N 121.800 121.800 121.748 0.052 RESID 260 (L): C 175.300 175.300 178.257 -2.957 RESID 260 (L): CA 56.190 56.190 58.473 -2.283 RESID 260 (L): CB 39.060 39.060 41.996 -2.936 RESID 261 (V): N 118.600 118.600 118.781 -0.181 RESID 261 (V): C 175.000 175.000 177.807 -2.807 RESID 261 (V): CA 65.200 65.200 66.492 -1.292 RESID 261 (V): CB 29.620 29.620 31.832 -2.212 RESID 262 (L): N 121.800 121.800 121.378 0.422 RESID 262 (L): C 176.600 176.600 178.141 -1.541 RESID 262 (L): CA 56.000 56.000 58.640 -2.640 RESID 262 (L): CB 40.070 40.070 41.606 -1.536 RESID 263 (L): N 123.500 123.500 119.485 4.015 RESID 263 (L): C 176.000 176.000 179.050 -3.050 RESID 263 (L): CA 55.600 55.600 57.975 -2.376 RESID 263 (L): CB 40.620 40.620 41.617 -0.997 RESID 264 (A): N 122.200 122.200 121.563 0.637 RESID 264 (A): C 174.400 174.400 179.102 -4.702 RESID 264 (A): CA 53.300 53.300 55.564 -2.264 RESID 264 (A): CB 15.820 15.820 17.655 -1.835 RESID 265 (D): N 126.500 126.500 119.092 7.408 RESID 265 (D): C 171.600 171.600 179.277 -7.677 RESID 265 (D): CA 56.300 56.300 57.219 -0.920 RESID 266 (T): N 120.700 120.700 113.958 6.742 RESID 266 (T): C 175.300 175.300 176.959 -1.659 RESID 266 (T): CA 60.300 60.300 65.312 -5.012 RESID 267 (L): N 121.600 121.600 121.566 0.034 RESID 267 (L): C 176.100 176.100 178.093 -1.993 RESID 267 (L): CA 55.950 55.950 56.090 -0.140 RESID 267 (L): CB 40.130 40.130 42.143 -2.013 RESID 268 (M): N 120.200 120.200 117.723 2.477 RESID 268 (M): C 176.800 176.800 175.785 1.015 RESID 268 (M): CA 58.200 58.200 55.120 3.080 RESID 268 (M): CB 31.900 31.900 30.932 0.968 RESID 269 (R): N 116.700 116.700 118.966 -2.266 RESID 269 (R): C 175.500 175.500 177.986 -2.486 RESID 269 (R): CA 57.000 57.000 57.996 -0.996 RESID 269 (R): CB 29.700 29.700 29.506 0.194 RESID 270 (T): N 117.100 117.100 110.421 6.679 RESID 270 (T): C 175.700 175.700 174.008 1.692 RESID 270 (T): CA 64.000 64.000 64.317 -0.317 RESID 271 (Q): N 122.800 122.800 119.169 3.631 RESID 271 (Q): C 176.000 176.000 176.180 -0.180 RESID 271 (Q): CA 57.400 57.400 55.085 2.315 RESID 272 (V): N 121.300 121.300 117.844 3.456 RESID 272 (V): C 176.000 176.000 176.324 -0.324 RESID 272 (V): CA 63.670 63.670 64.371 -0.701 RESID 272 (V): CB 35.310 35.310 30.159 5.151 RESID 273 (I): N 123.300 123.300 119.222 4.078 RESID 273 (I): C 178.300 178.300 176.100 2.200 RESID 273 (I): CA 64.000 64.000 61.818 2.182 RESID 273 (I): CB 36.000 36.000 38.596 -2.596 RESID 274 (Q): N 123.400 123.400 123.268 0.132 RESID 274 (Q): C 176.000 176.000 175.068 0.932 RESID 274 (Q): CA 56.950 56.950 57.746 -0.796 RESID 275 (E): N 123.600 123.600 115.080 8.520 RESID 275 (E): C 177.200 177.200 175.327 1.873 RESID 275 (E): CA 55.730 55.730 55.700 0.030 RESID 275 (E): CB 29.130 29.130 28.562 0.568 RESID 276 (S): N 116.400 116.400 119.202 -2.802 RESID 276 (S): CA 61.300 61.300 60.954 0.346 RESID 276 (S): CB 63.340 63.340 63.263 0.077 RESID 277 (C): N 117.200 117.200 119.623 -2.423 RESID 277 (C): C 175.600 175.600 177.237 -1.637 RESID 277 (C): CA 55.300 55.300 62.465 -7.165 RESID 277 (C): CB 25.240 25.240 26.324 -1.084 RESID 278 (E): N 120.900 120.900 120.949 -0.049 RESID 278 (E): C 175.200 175.200 178.681 -3.481 RESID 278 (E): CA 58.200 58.200 59.277 -1.077 RESID 278 (E): CB 28.890 28.890 29.160 -0.270 RESID 279 (R): N 123.000 123.000 120.264 2.736 RESID 279 (R): C 176.600 176.600 178.904 -2.304 RESID 279 (R): CA 56.200 56.200 58.728 -2.528 RESID 279 (R): CB 29.500 29.500 29.922 -0.422 RESID 280 (R): N 124.000 124.000 117.529 6.471 RESID 280 (R): C 176.300 176.300 177.318 -1.018 RESID 280 (R): CA 55.870 55.870 58.662 -2.792 RESID 280 (R): CB 28.250 28.250 30.196 -1.946 RESID 281 (N): N 121.100 121.100 117.163 3.937 RESID 281 (N): C 174.600 174.600 176.961 -2.361 RESID 281 (N): CA 51.880 51.880 55.986 -4.106 RESID 281 (N): CB 37.700 37.700 38.996 -1.296 RESID 282 (N): N 121.600 121.600 119.395 2.205 RESID 282 (N): C 176.600 176.600 177.727 -1.127 RESID 282 (N): CA 55.800 55.800 55.842 -0.042 RESID 282 (N): CB 39.000 39.000 38.449 0.551 RESID 283 (I): N 120.800 120.800 119.085 1.715 RESID 283 (I): C 175.200 175.200 176.916 -1.716 RESID 283 (I): CA 64.500 64.500 63.423 1.077 RESID 283 (I): CB 36.600 36.600 36.739 -0.139 RESID 284 (G): N 110.500 110.500 106.203 4.297 RESID 284 (G): C 176.800 176.800 175.672 1.128 RESID 284 (G): CA 41.400 41.400 45.472 -4.072 RESID 286 (A): N 122.800 122.800 121.357 1.443 RESID 286 (A): C 178.500 178.500 178.917 -0.417 RESID 286 (A): CA 53.840 53.840 54.270 -0.430 RESID 286 (A): CB 16.630 16.630 18.347 -1.717 RESID 287 (L): N 125.500 125.500 115.994 9.506 RESID 287 (L): C 175.800 175.800 177.786 -1.986 RESID 287 (L): CA 56.150 56.150 57.326 -1.176 RESID 287 (L): CB 40.200 40.200 41.397 -1.196 RESID 288 (D): N 116.800 116.800 119.307 -2.507 RESID 288 (D): C 176.500 176.500 177.337 -0.837 RESID 288 (D): CA 56.250 56.250 57.042 -0.792 RESID 289 (A): N 124.600 124.600 121.050 3.550 RESID 289 (A): C 177.500 177.500 178.348 -0.848 RESID 289 (A): CA 53.250 53.250 54.584 -1.334 RESID 289 (A): CB 16.900 16.900 17.614 -0.714 RESID 290 (T): N 114.900 114.900 113.096 1.804 RESID 290 (T): C 177.000 177.000 176.254 0.746 RESID 290 (T): CA 64.100 64.100 65.509 -1.409 RESID 291 (E): N 120.800 120.800 122.642 -1.842 RESID 291 (E): C 177.000 177.000 178.112 -1.112 RESID 291 (E): CA 57.500 57.500 58.758 -1.258 RESID 291 (E): CB 29.700 29.700 29.771 -0.071 RESID 292 (I): N 121.300 121.300 119.841 1.459 RESID 292 (I): C 176.000 176.000 177.606 -1.606 RESID 292 (I): CA 64.300 64.300 64.649 -0.349 RESID 292 (I): CB 36.640 36.640 37.971 -1.331 RESID 293 (L): N 122.700 122.700 118.920 3.780 RESID 293 (L): C 175.100 175.100 178.498 -3.398 RESID 293 (L): CA 55.600 55.600 57.343 -1.743 RESID 293 (L): CB 39.440 39.440 39.232 0.208 RESID 294 (G): N 108.500 108.500 108.002 0.498 RESID 294 (G): C 173.800 173.800 175.614 -1.814 RESID 294 (G): CA 45.030 45.030 47.115 -2.086 RESID 295 (F): N 121.600 121.600 122.677 -1.077 RESID 295 (F): C 177.500 177.500 177.258 0.242 RESID 295 (F): CA 58.500 58.500 60.151 -1.651 RESID 296 (L): N 120.900 120.900 120.112 0.788 RESID 296 (L): C 175.300 175.300 177.717 -2.417 RESID 296 (L): CA 55.900 55.900 56.814 -0.914 RESID 296 (L): CB 40.000 40.000 40.596 -0.596 RESID 297 (H): N 120.600 120.600 114.501 6.099 RESID 297 (H): C 176.600 176.600 175.109 1.491 RESID 297 (H): CA 57.700 57.700 57.835 -0.135 RESID 297 (H): CB 30.130 30.130 29.099 1.031 RESID 298 (S): N 122.500 122.500 111.400 11.100 RESID 298 (S): C 177.700 177.700 174.154 3.546 RESID 298 (S): CA 62.580 62.580 57.382 5.198 RESID 298 (S): CB 64.530 64.530 64.053 0.477 RESID 299 (C): N 121.600 121.600 120.831 0.769 RESID 299 (C): C 177.300 177.300 175.418 1.882 RESID 299 (C): CA 59.200 59.200 59.142 0.058 RESID 299 (C): CB 27.360 27.360 29.651 -2.291 RESID 300 (L): N 121.300 121.300 122.540 -1.240 RESID 300 (L): C 179.000 179.000 178.224 0.776 RESID 300 (L): CA 54.960 54.960 57.272 -2.312 RESID 300 (L): CB 40.740 40.740 41.267 -0.527 RESID 301 (N): N 119.000 119.000 119.358 -0.358 RESID 301 (N): C 176.600 176.600 174.378 2.222 RESID 301 (N): CA 53.300 53.300 58.889 -5.589 RESID 301 (N): CB 36.760 36.760 36.687 0.073 RESID 302 (P): CA 58.860 58.860 65.736 -6.875 RESID 303 (I): N 120.900 120.900 119.432 1.468 RESID 303 (I): C 173.700 173.700 178.241 -4.541 RESID 303 (I): CA 66.500 66.500 65.439 1.062 RESID 303 (I): CB 36.650 36.650 37.900 -1.250 RESID 304 (I): N 120.400 120.400 119.777 0.623 RESID 304 (I): C 175.900 175.900 177.978 -2.078 RESID 304 (I): CA 65.800 65.800 64.993 0.807 RESID 304 (I): CB 36.330 36.330 37.428 -1.098 RESID 305 (Y): N 120.300 120.300 120.952 -0.652 RESID 305 (Y): C 174.800 174.800 177.210 -2.410 RESID 305 (Y): CA 56.700 56.700 62.047 -5.347 RESID 305 (Y): CB 37.900 37.900 38.117 -0.217 RESID 306 (A): N 123.300 123.300 121.078 2.222 RESID 306 (A): C 172.000 172.000 179.286 -7.286 RESID 306 (A): CA 54.350 54.350 54.639 -0.289 RESID 306 (A): CB 16.400 16.400 18.267 -1.867 RESID 307 (F): N 120.400 120.400 117.696 2.704 RESID 307 (F): C 175.900 175.900 177.598 -1.698 RESID 307 (F): CA 60.250 60.250 61.604 -1.354 RESID 307 (F): CB 40.200 40.200 39.000 1.200 RESID 308 (I): N 120.700 120.700 114.842 5.858 RESID 308 (I): C 177.200 177.200 177.569 -0.369 RESID 308 (I): CA 64.550 64.550 62.732 1.818 RESID 308 (I): CB 36.600 36.600 37.756 -1.156 RESID 309 (G): N 111.300 111.300 108.553 2.747 RESID 309 (G): C 174.000 174.000 173.466 0.534 RESID 309 (G): CA 41.600 41.600 45.226 -3.626 RESID 310 (Q): N 119.400 119.400 116.451 2.949 RESID 310 (Q): C 176.200 176.200 176.255 -0.055 RESID 310 (Q): CA 57.800 57.800 56.465 1.335 RESID 310 (Q): CB 31.900 31.900 30.296 1.604 RESID 311 (N): N 120.100 120.100 118.691 1.409 RESID 311 (N): C 175.600 175.600 176.832 -1.232 RESID 311 (N): CA 55.500 55.500 55.289 0.211 RESID 311 (N): CB 38.800 38.800 37.977 0.823 RESID 312 (F): N 120.700 120.700 118.951 1.749 RESID 312 (F): C 175.400 175.400 177.468 -2.068 RESID 312 (F): CA 58.300 58.300 61.049 -2.749 RESID 312 (F): CB 36.800 36.800 38.818 -2.018 RESID 313 (R): N 123.000 123.000 120.758 2.242 RESID 313 (R): C 174.500 174.500 178.047 -3.547 RESID 313 (R): CA 56.000 56.000 59.728 -3.728 RESID 313 (R): CB 29.300 29.300 29.853 -0.553 RESID 314 (H): N 122.100 122.100 115.297 6.803 RESID 314 (H): C 176.300 176.300 177.624 -1.324 RESID 314 (H): CA 58.600 58.600 57.875 0.725 RESID 314 (H): CB 29.900 29.900 29.042 0.858 RESID 315 (G): N 109.700 109.700 109.146 0.554 RESID 315 (G): C 174.100 174.100 175.547 -1.447 RESID 315 (G): CA 47.200 47.200 46.720 0.480 RESID 316 (F): N 123.600 123.600 120.180 3.420 RESID 316 (F): C 176.200 176.200 177.513 -1.313 RESID 316 (F): CA 58.200 58.200 60.707 -2.507 RESID 317 (L): N 122.000 122.000 120.531 1.469 RESID 317 (L): C 176.600 176.600 178.378 -1.778 RESID 317 (L): CA 55.700 55.700 57.989 -2.289 RESID 317 (L): CB 40.200 40.200 41.882 -1.682 RESID 318 (K): N 121.800 121.800 119.388 2.412 RESID 318 (K): C 177.500 177.500 179.253 -1.753 RESID 318 (K): CA 56.200 56.200 59.404 -3.204 RESID 318 (K): CB 30.000 30.000 31.923 -1.923 RESID 319 (I): N 120.600 120.600 116.383 4.217 RESID 319 (I): C 176.000 176.000 178.084 -2.084 RESID 319 (I): CA 65.200 65.200 63.650 1.550 RESID 319 (I): CB 36.400 36.400 36.879 -0.478 RESID 320 (L): N 121.900 121.900 121.205 0.695 RESID 320 (L): C 176.800 176.800 178.656 -1.856 RESID 320 (L): CA 56.200 56.200 57.960 -1.760 RESID 320 (L): CB 40.000 40.000 41.547 -1.548 RESID 321 (A): N 123.000 123.000 120.458 2.542 RESID 321 (A): C 177.100 177.100 178.273 -1.173 RESID 321 (A): CA 55.000 55.000 54.363 0.637 RESID 321 (A): CB 18.000 18.000 18.826 -0.826 RESID 322 (M): N 120.400 120.400 116.449 3.951 RESID 322 (M): C 173.300 173.300 176.143 -2.843 RESID 322 (M): CA 56.100 56.100 56.863 -0.763 RESID 323 (H): N 120.700 120.700 114.243 6.457 RESID 323 (H): C 173.200 173.200 175.967 -2.767 RESID 323 (H): CA 57.000 57.000 57.853 -0.853 RESID 323 (H): CB 29.700 29.700 27.404 2.296 N HA C CA CB H RESID 31 (M): 0.850 ----- -2.502 1.261 1.050 ----- RESID 32 (L): 5.300 ----- -4.338 -3.194 -2.716 ----- RESID 33 (E): 11.831 ----- -3.008 -1.137 1.075 ----- RESID 34 (T): -1.174 ----- -2.475 2.346 -1.936 ----- RESID 35 (E): -2.844 ----- -7.981 -3.433 -1.602 ----- RESID 36 (T): -6.069 ----- -0.519 0.525 ----- ----- RESID 37 (L): 3.205 ----- 0.447 1.492 0.586 ----- RESID 38 (N): 2.057 ----- 0.660 -0.182 2.441 ----- RESID 39 (K): 0.842 ----- -4.369 -2.721 -1.899 ----- RESID 40 (Y): 0.143 ----- -1.354 -2.018 1.982 ----- RESID 41 (V): 0.875 ----- -1.660 -1.030 -1.403 ----- RESID 42 (V): 0.992 ----- -1.809 -1.624 -1.846 ----- RESID 43 (I): 1.358 ----- -0.691 -1.012 -0.976 ----- RESID 44 (I): 0.475 ----- -2.712 -3.384 1.300 ----- RESID 45 (A): -1.241 ----- -3.974 -2.556 -1.258 ----- RESID 46 (Y): 1.085 ----- -2.317 -2.940 1.915 ----- RESID 47 (A): 1.716 ----- -4.569 -1.435 -2.405 ----- RESID 48 (L): -1.653 ----- -1.246 -0.881 ----- ----- RESID 49 (V): -1.615 ----- 3.018 1.113 -1.554 ----- RESID 50 (F): 7.211 ----- -5.943 0.410 4.210 ----- RESID 51 (L): 3.884 ----- -1.559 -2.910 -1.648 ----- RESID 52 (L): 6.428 ----- -4.990 -2.308 -1.768 ----- RESID 53 (S): 3.230 ----- -3.785 -2.708 ----- ----- RESID 54 (L): -0.812 ----- -1.411 -2.161 -2.124 ----- RESID 55 (L): 10.117 ----- -1.976 -1.685 -0.739 ----- RESID 56 (G): 1.719 ----- -1.237 0.434 ----- ----- RESID 57 (N): -2.435 ----- -1.056 -0.395 0.965 ----- RESID 58 (S): -4.849 ----- 3.269 -1.834 0.655 ----- RESID 59 (L): -1.678 ----- -1.282 -1.770 -0.331 ----- RESID 60 (V): -0.626 ----- -2.771 -1.322 -2.352 ----- RESID 61 (M): -1.651 ----- -1.071 -2.287 ----- ----- RESID 62 (L): 2.748 ----- -1.452 -1.498 -2.330 ----- RESID 63 (V): 1.029 ----- ----- -1.889 -1.571 ----- RESID 64 (I): 2.731 ----- -3.976 1.140 0.043 ----- RESID 65 (L): -2.544 ----- -4.422 -1.647 -2.572 ----- RESID 66 (Y): 6.128 ----- 1.740 0.016 1.345 ----- RESID 67 (S): 0.787 ----- -0.187 2.941 -1.537 ----- RESID 68 (R): -5.864 ----- -2.006 0.893 ----- ----- RESID 69 (V): 3.049 ----- -1.196 2.591 -1.389 ----- RESID 70 (G): 2.306 ----- 0.476 -3.044 ----- ----- RESID 71 (R): 1.505 ----- 1.454 2.516 1.264 ----- RESID 72 (S): 1.925 ----- -1.349 0.888 ----- ----- RESID 73 (V): -0.073 ----- -1.574 0.554 -1.436 ----- RESID 74 (T): 3.648 ----- 0.433 -0.852 ----- ----- RESID 75 (D): -0.338 ----- -1.729 -1.224 0.216 ----- RESID 76 (V): 0.663 ----- -1.830 1.219 -0.734 ----- RESID 77 (Y): 4.407 ----- -1.867 -1.015 -1.532 ----- RESID 78 (L): 1.274 ----- -2.405 -1.704 -1.132 ----- RESID 79 (L): 8.302 ----- -2.324 -2.554 -0.034 ----- RESID 80 (N): 2.168 ----- 0.434 0.817 1.539 ----- RESID 81 (L): 2.271 ----- -1.648 -2.081 -3.586 ----- RESID 82 (A): 3.217 ----- -1.914 -1.579 0.307 ----- RESID 83 (L): 1.373 ----- -1.914 -1.973 -1.621 ----- RESID 84 (A): 2.934 ----- -1.836 -0.528 -1.017 ----- RESID 85 (D): 0.965 ----- 0.328 -0.663 -1.424 ----- RESID 86 (L): 0.874 ----- -5.407 -1.963 -1.840 ----- RESID 87 (L): 2.149 ----- -3.951 -2.197 -0.845 ----- RESID 88 (F): 1.106 ----- -5.314 -2.878 3.596 ----- RESID 89 (A): 4.009 ----- -7.096 -1.803 -1.180 ----- RESID 90 (L): 1.072 ----- -5.191 -1.130 -1.887 ----- RESID 91 (T): 6.627 ----- 0.238 -3.167 0.136 ----- RESID 92 (L): -1.061 ----- -0.746 -4.268 1.490 ----- RESID 94 (I): 4.366 ----- -1.414 1.499 0.024 ----- RESID 95 (W): -2.669 ----- -0.888 -2.722 0.431 ----- RESID 96 (A): 5.867 ----- -1.008 -1.871 2.937 ----- RESID 97 (A): 1.956 ----- -1.824 -1.095 -1.349 ----- RESID 98 (S): -2.592 ----- ----- 2.362 ----- ----- RESID 99 (K): 1.276 ----- -1.066 -0.475 -2.034 ----- RESID 100 (V): 0.794 ----- -1.093 -0.739 -2.013 ----- RESID 101 (N): 0.365 ----- -2.712 -2.071 0.831 ----- RESID 102 (G): 3.105 ----- 2.526 1.590 ----- ----- RESID 103 (W): 0.504 ----- -0.659 2.850 -0.428 ----- RESID 104 (I): 7.898 ----- 1.704 0.177 -5.829 ----- RESID 105 (F): 1.770 ----- 2.593 -2.018 -0.032 ----- RESID 106 (G): -2.919 ----- 1.364 -2.499 ----- ----- RESID 107 (T): -0.476 ----- -1.380 -0.824 0.683 ----- RESID 108 (F): 2.893 ----- -3.273 -0.931 -0.654 ----- RESID 109 (L): 3.409 ----- -2.665 -2.803 0.891 ----- RESID 110 (C): -2.019 ----- -0.122 -5.668 14.157 ----- RESID 111 (K): 0.959 ----- -0.508 -1.818 -2.490 ----- RESID 112 (V): 6.747 ----- -3.455 3.339 ----- ----- RESID 113 (V): 6.992 ----- -7.868 1.671 ----- ----- RESID 114 (S): 2.932 ----- -0.858 -0.868 -0.800 ----- RESID 115 (L): -3.973 ----- -4.852 -2.108 -0.490 ----- RESID 116 (L): 9.132 ----- -0.650 -1.953 -0.978 ----- RESID 117 (K): 0.739 ----- -4.994 -2.079 -1.685 ----- RESID 118 (E): 0.826 ----- -0.957 -3.611 -0.961 ----- RESID 119 (V): 6.375 ----- -3.126 -0.705 -2.335 ----- RESID 120 (N): 1.381 ----- -2.741 -0.163 0.928 ----- RESID 121 (F): 4.297 ----- -2.890 0.156 -0.967 ----- RESID 122 (Y): 5.083 ----- -2.065 3.873 0.407 ----- RESID 123 (S): 8.013 ----- -3.384 -4.550 -2.663 ----- RESID 124 (G): -1.934 ----- -4.667 -4.603 ----- ----- RESID 125 (I): -3.674 ----- -2.346 -1.243 -1.230 ----- RESID 126 (L): 2.910 ----- -5.595 -1.315 ----- ----- RESID 127 (L): 5.300 ----- -2.907 -3.067 0.451 ----- RESID 128 (L): 1.277 ----- -2.664 -0.947 -1.202 ----- RESID 129 (A): 2.830 ----- -4.016 -2.128 -0.757 ----- RESID 130 (C): 3.439 ----- 0.120 -1.992 2.600 ----- RESID 131 (I): -0.892 ----- -4.025 -0.960 -1.530 ----- RESID 132 (S): 1.102 ----- -2.084 1.851 3.525 ----- RESID 133 (V): 6.324 ----- -0.109 1.118 ----- ----- RESID 134 (D): 3.719 ----- -5.024 0.334 0.197 ----- RESID 135 (R): 3.567 ----- -4.498 -0.236 0.920 ----- RESID 136 (Y): 1.304 ----- -1.569 -0.619 -0.709 ----- RESID 137 (L): 3.925 ----- -4.258 -1.699 -0.580 ----- RESID 138 (A): 5.440 ----- -1.685 -1.151 -2.327 ----- RESID 139 (I): 3.817 ----- 0.693 -1.592 -9.094 ----- RESID 140 (V): 0.135 ----- -1.348 0.363 -1.630 ----- RESID 141 (H): -5.407 ----- 4.249 2.648 0.280 ----- RESID 142 (A): -3.957 ----- -2.075 1.128 -2.267 ----- RESID 143 (T): 1.441 ----- 2.525 -2.171 -4.062 ----- RESID 144 (R): ----- ----- ----- -0.525 -0.843 ----- RESID 145 (T): 9.036 ----- 2.814 -0.083 -5.207 ----- RESID 146 (L): 3.262 ----- -2.022 0.588 -1.264 ----- RESID 147 (T): 6.956 ----- 4.137 0.594 -7.404 ----- RESID 148 (Q): 0.738 ----- -0.296 -3.006 -0.710 ----- RESID 149 (K): -2.346 ----- -2.482 0.461 ----- ----- RESID 150 (R): 2.976 ----- -0.762 -2.529 2.203 ----- RESID 151 (H): -0.876 ----- 0.488 -0.058 -0.024 ----- RESID 152 (L): 0.343 ----- -2.042 -1.999 -1.595 ----- RESID 153 (V): 2.843 ----- -3.521 -4.436 ----- ----- RESID 154 (K): -4.373 ----- -3.169 -0.406 ----- ----- RESID 155 (F): 1.553 ----- -1.001 -0.859 ----- ----- RESID 156 (V): 3.467 ----- 0.160 -3.978 2.076 ----- RESID 157 (C): ----- ----- ----- -4.907 ----- ----- RESID 158 (L): 1.068 ----- -3.430 -3.006 ----- ----- RESID 159 (G): -1.173 ----- -0.099 -2.450 ----- ----- RESID 160 (C): -4.180 ----- 4.528 -4.094 1.604 ----- RESID 161 (W): -1.986 ----- -3.667 -4.215 ----- ----- RESID 162 (G): 1.749 ----- -2.398 -2.237 ----- ----- RESID 163 (L): -2.646 ----- -5.561 -1.767 -1.230 ----- RESID 164 (S): 2.867 ----- -1.698 -5.980 2.479 ----- RESID 165 (M): -1.348 ----- -2.086 -0.731 -2.639 ----- RESID 166 (N): 1.526 ----- -0.567 0.711 0.568 ----- RESID 167 (L): 1.518 ----- -0.726 7.714 -4.706 ----- RESID 168 (S): 6.410 ----- -2.477 -3.472 -5.802 ----- RESID 169 (L): -1.390 ----- 2.494 -3.314 -1.067 ----- RESID 171 (F): 1.407 ----- -2.619 1.516 ----- ----- RESID 172 (F): 0.059 ----- -3.043 -0.523 3.189 ----- RESID 173 (L): 1.844 ----- -0.941 -3.041 -5.223 ----- RESID 174 (F): 7.151 ----- 3.045 1.762 1.657 ----- RESID 175 (R): -2.353 ----- 1.494 -0.897 ----- ----- RESID 176 (Q): 3.477 ----- 4.028 -1.566 ----- ----- RESID 177 (A): 4.936 ----- 1.548 2.685 -3.259 ----- RESID 178 (Y): 1.833 ----- -0.872 -0.928 1.022 ----- RESID 179 (H): -0.697 ----- 2.668 4.264 1.290 ----- RESID 181 (N): 2.468 ----- -1.997 3.646 -5.338 ----- RESID 182 (N): -6.446 ----- 2.148 0.203 ----- ----- RESID 183 (S): 0.418 ----- 2.849 -2.413 1.167 ----- RESID 184 (S): 1.652 ----- 3.041 -0.512 -1.348 ----- RESID 186 (V): -2.741 ----- 0.407 3.252 -3.028 ----- RESID 187 (C): -10.997 ----- 3.129 -3.090 10.713 ----- RESID 188 (Y): -1.379 ----- 2.249 -0.590 -1.481 ----- RESID 189 (E): 1.203 ----- -0.987 1.073 1.850 ----- RESID 190 (V): 6.934 ----- -3.654 2.631 -2.799 ----- RESID 191 (L): 3.599 ----- ----- -1.644 ----- ----- RESID 192 (G): 5.788 ----- -0.425 0.419 ----- ----- RESID 193 (N): -0.549 ----- ----- -2.773 0.744 ----- RESID 194 (D): 7.179 ----- -3.724 -0.686 -0.320 ----- RESID 195 (T): 7.240 ----- -0.365 -1.977 ----- ----- RESID 196 (A): -0.811 ----- -4.460 -0.784 -1.704 ----- RESID 197 (K): 9.658 ----- -1.328 1.779 -3.091 ----- RESID 198 (W): 2.708 ----- 0.960 2.127 4.166 ----- RESID 199 (R): 4.127 ----- 0.281 -2.735 1.452 ----- RESID 200 (M): -0.897 ----- -2.534 -0.932 -1.515 ----- RESID 201 (V): 6.394 ----- -2.605 0.248 -1.590 ----- RESID 202 (L): 2.534 ----- -5.308 -3.334 ----- ----- RESID 203 (R): 5.522 ----- -2.524 -3.169 1.832 ----- RESID 204 (I): 0.022 ----- -1.891 0.683 -2.078 ----- RESID 205 (L): 2.271 ----- 0.015 -5.370 ----- ----- RESID 206 (P): ----- ----- ----- -3.326 ----- ----- RESID 207 (H): -4.299 ----- -1.837 -6.208 0.419 ----- RESID 208 (T): 6.035 ----- 2.049 -3.573 ----- ----- RESID 209 (F): -2.857 ----- -0.788 1.170 ----- ----- RESID 210 (G): 4.579 ----- -0.213 -1.059 ----- ----- RESID 211 (F): 3.288 ----- -1.378 -2.943 ----- ----- RESID 212 (I): -0.589 ----- -0.691 0.101 -0.725 ----- RESID 213 (V): 4.432 ----- 0.273 -1.886 0.589 ----- RESID 215 (L): 5.950 ----- -1.257 -2.032 -0.698 ----- RESID 216 (F): 7.320 ----- 1.790 1.133 0.268 ----- RESID 217 (V): -1.023 ----- -2.364 -0.786 -0.990 ----- RESID 218 (M): -0.329 ----- -4.652 -1.427 1.181 ----- RESID 219 (L): 1.767 ----- -2.117 -1.761 0.054 ----- RESID 220 (F): 6.275 ----- -2.452 2.586 ----- ----- RESID 221 (C): -0.630 ----- -0.947 -0.598 ----- ----- RESID 222 (Y): -2.813 ----- 0.163 -4.329 -0.959 ----- RESID 223 (G): 4.051 ----- -1.490 -5.274 ----- ----- RESID 224 (F): -1.178 ----- -1.909 0.975 -2.075 ----- RESID 225 (T): 1.765 ----- -1.080 -1.535 ----- ----- RESID 226 (L): 2.176 ----- -0.612 -0.584 -1.269 ----- RESID 227 (R): 2.099 ----- -0.329 -3.985 -0.934 ----- RESID 228 (T): 6.625 ----- 1.539 1.106 -4.115 ----- RESID 229 (L): 0.856 ----- 1.282 2.063 0.033 ----- RESID 230 (F): -2.216 ----- 0.023 -2.827 2.411 ----- RESID 231 (K): 2.269 ----- -1.558 -1.050 -1.546 ----- RESID 232 (A): -1.239 ----- 0.578 0.770 3.106 ----- RESID 233 (H): 2.548 ----- 1.642 0.565 -0.745 ----- RESID 234 (M): -0.777 ----- -0.376 2.800 -1.343 ----- RESID 235 (G): -0.955 ----- -2.489 -1.714 ----- ----- RESID 236 (Q): -7.379 ----- -4.311 -3.718 -3.203 ----- RESID 237 (K): 5.465 ----- 1.548 -2.135 -0.401 ----- RESID 238 (H): 8.673 ----- -0.247 -2.951 -2.863 ----- RESID 239 (R): 0.695 ----- -1.203 -2.959 1.909 ----- RESID 240 (A): -0.302 ----- -3.658 -2.111 -1.455 ----- RESID 241 (M): 3.203 ----- -2.800 -0.020 0.618 ----- RESID 242 (R): 0.738 ----- -1.179 -2.771 1.687 ----- RESID 243 (V): 0.415 ----- -2.141 -0.664 -2.062 ----- RESID 244 (I): -0.964 ----- -2.401 -0.666 -0.706 ----- RESID 245 (F): -1.300 ----- -2.364 -1.837 1.780 ----- RESID 246 (A): -0.730 ----- -1.751 -2.240 -1.073 ----- RESID 247 (V): 3.768 ----- -2.521 0.080 -2.252 ----- RESID 248 (V): 1.612 ----- -0.988 -2.702 -1.051 ----- RESID 249 (L): -0.901 ----- -3.392 -1.995 -0.147 ----- RESID 250 (I): 0.735 ----- -1.380 -1.025 -1.022 ----- RESID 251 (F): 5.185 ----- -1.314 -1.801 ----- ----- RESID 252 (L): -0.572 ----- -2.545 -1.488 -0.732 ----- RESID 253 (L): 0.549 ----- -1.096 -2.152 -1.044 ----- RESID 254 (C): 5.404 ----- -0.328 -1.614 -1.311 ----- RESID 255 (W): -0.571 ----- 1.546 -1.487 -0.182 ----- RESID 256 (L): 0.745 ----- 1.992 -2.260 1.322 ----- RESID 258 (Y): 4.558 ----- 1.619 -2.838 3.961 ----- RESID 259 (N): 5.041 ----- -4.393 -2.359 -0.982 ----- RESID 260 (L): 0.052 ----- -2.957 -2.283 -2.936 ----- RESID 261 (V): -0.181 ----- -2.807 -1.292 -2.212 ----- RESID 262 (L): 0.422 ----- -1.541 -2.640 -1.536 ----- RESID 263 (L): 4.015 ----- -3.050 -2.376 -0.997 ----- RESID 264 (A): 0.637 ----- -4.702 -2.264 -1.835 ----- RESID 265 (D): 7.408 ----- -7.677 -0.920 ----- ----- RESID 266 (T): 6.742 ----- -1.659 -5.012 ----- ----- RESID 267 (L): 0.034 ----- -1.993 -0.140 -2.013 ----- RESID 268 (M): 2.477 ----- 1.015 3.080 0.968 ----- RESID 269 (R): -2.266 ----- -2.486 -0.996 0.194 ----- RESID 270 (T): 6.679 ----- 1.692 -0.317 ----- ----- RESID 271 (Q): 3.631 ----- -0.180 2.315 ----- ----- RESID 272 (V): 3.456 ----- -0.324 -0.701 5.151 ----- RESID 273 (I): 4.078 ----- 2.200 2.182 -2.596 ----- RESID 274 (Q): 0.132 ----- 0.932 -0.796 ----- ----- RESID 275 (E): 8.520 ----- 1.873 0.030 0.568 ----- RESID 276 (S): -2.802 ----- ----- 0.346 0.077 ----- RESID 277 (C): -2.423 ----- -1.637 -7.165 -1.084 ----- RESID 278 (E): -0.049 ----- -3.481 -1.077 -0.270 ----- RESID 279 (R): 2.736 ----- -2.304 -2.528 -0.422 ----- RESID 280 (R): 6.471 ----- -1.018 -2.792 -1.946 ----- RESID 281 (N): 3.937 ----- -2.361 -4.106 -1.296 ----- RESID 282 (N): 2.205 ----- -1.127 -0.042 0.551 ----- RESID 283 (I): 1.715 ----- -1.716 1.077 -0.139 ----- RESID 284 (G): 4.297 ----- 1.128 -4.072 ----- ----- RESID 286 (A): 1.443 ----- -0.417 -0.430 -1.717 ----- RESID 287 (L): 9.506 ----- -1.986 -1.176 -1.196 ----- RESID 288 (D): -2.507 ----- -0.837 -0.792 ----- ----- RESID 289 (A): 3.550 ----- -0.848 -1.334 -0.714 ----- RESID 290 (T): 1.804 ----- 0.746 -1.409 ----- ----- RESID 291 (E): -1.842 ----- -1.112 -1.258 -0.071 ----- RESID 292 (I): 1.459 ----- -1.606 -0.349 -1.331 ----- RESID 293 (L): 3.780 ----- -3.398 -1.743 0.208 ----- RESID 294 (G): 0.498 ----- -1.814 -2.086 ----- ----- RESID 295 (F): -1.077 ----- 0.242 -1.651 ----- ----- RESID 296 (L): 0.788 ----- -2.417 -0.914 -0.596 ----- RESID 297 (H): 6.099 ----- 1.491 -0.135 1.031 ----- RESID 298 (S): 11.100 ----- 3.546 5.198 0.477 ----- RESID 299 (C): 0.769 ----- 1.882 0.058 -2.291 ----- RESID 300 (L): -1.240 ----- 0.776 -2.312 -0.527 ----- RESID 301 (N): -0.358 ----- 2.222 -5.589 0.073 ----- RESID 302 (P): ----- ----- ----- -6.875 ----- ----- RESID 303 (I): 1.468 ----- -4.541 1.062 -1.250 ----- RESID 304 (I): 0.623 ----- -2.078 0.807 -1.098 ----- RESID 305 (Y): -0.652 ----- -2.410 -5.347 -0.217 ----- RESID 306 (A): 2.222 ----- -7.286 -0.289 -1.867 ----- RESID 307 (F): 2.704 ----- -1.698 -1.354 1.200 ----- RESID 308 (I): 5.858 ----- -0.369 1.818 -1.156 ----- RESID 309 (G): 2.747 ----- 0.534 -3.626 ----- ----- RESID 310 (Q): 2.949 ----- -0.055 1.335 1.604 ----- RESID 311 (N): 1.409 ----- -1.232 0.211 0.823 ----- RESID 312 (F): 1.749 ----- -2.068 -2.749 -2.018 ----- RESID 313 (R): 2.242 ----- -3.547 -3.728 -0.553 ----- RESID 314 (H): 6.803 ----- -1.324 0.725 0.858 ----- RESID 315 (G): 0.554 ----- -1.447 0.480 ----- ----- RESID 316 (F): 3.420 ----- -1.313 -2.507 ----- ----- RESID 317 (L): 1.469 ----- -1.778 -2.289 -1.682 ----- RESID 318 (K): 2.412 ----- -1.753 -3.204 -1.923 ----- RESID 319 (I): 4.217 ----- -2.084 1.550 -0.478 ----- RESID 320 (L): 0.695 ----- -1.856 -1.760 -1.548 ----- RESID 321 (A): 2.542 ----- -1.173 0.637 -0.826 ----- RESID 322 (M): 3.951 ----- -2.843 -0.763 ----- ----- RESID 323 (H): 6.457 ----- -2.767 -0.853 2.296 ----- DATA CS_STAT_INFO N RMS: 3.830 ppm Count: 283 Average Difference: -1.832 +/- 3.370 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 2.614 ppm Count: 278 Average Difference: 1.360 +/- 2.236 ppm DATA CS_STAT_INFO CA RMS: 2.369 ppm Count: 287 Average Difference: 1.097 +/- 2.103 ppm DATA CS_STAT_INFO CB RMS: 2.508 ppm Count: 226 Average Difference: 0.473 +/- 2.468 ppm DATA CS_STAT_INFO HN RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm ############################################################################ For conformer 6: Atom Original Corrected SPARTA Difference RESID 30 (C): N 122.700 122.700 120.936 1.764 RESID 30 (C): C 177.500 177.500 175.564 1.936 RESID 30 (C): CA 56.000 56.000 58.967 -2.967 RESID 30 (C): CB 40.300 40.300 26.983 13.318 RESID 31 (M): N 117.900 117.900 117.412 0.488 RESID 31 (M): C 173.200 173.200 176.202 -3.002 RESID 31 (M): CA 58.150 58.150 55.032 3.118 RESID 31 (M): CB 31.100 31.100 30.088 1.012 RESID 32 (L): N 125.300 125.300 119.635 5.665 RESID 32 (L): C 173.500 173.500 177.873 -4.373 RESID 32 (L): CA 53.780 53.780 56.505 -2.725 RESID 32 (L): CB 39.660 39.660 41.859 -2.200 RESID 33 (E): N 129.900 129.900 117.272 12.628 RESID 33 (E): C 173.200 173.200 176.020 -2.820 RESID 33 (E): CA 55.900 55.900 56.468 -0.568 RESID 33 (E): CB 31.000 31.000 30.314 0.686 RESID 34 (T): N 113.900 113.900 113.010 0.890 RESID 34 (T): C 172.500 172.500 175.079 -2.579 RESID 34 (T): CA 63.500 63.500 60.787 2.713 RESID 34 (T): CB 67.200 67.200 70.755 -3.555 RESID 35 (E): N 125.300 125.300 124.048 1.252 RESID 35 (E): C 169.500 169.500 177.116 -7.616 RESID 35 (E): CA 55.840 55.840 58.358 -2.518 RESID 35 (E): CB 28.120 28.120 29.635 -1.515 RESID 36 (T): N 106.700 106.700 113.830 -7.130 RESID 36 (T): C 174.200 174.200 175.404 -1.204 RESID 36 (T): CA 65.000 65.000 63.980 1.020 RESID 37 (L): N 120.100 120.100 119.245 0.855 RESID 37 (L): C 177.500 177.500 177.030 0.470 RESID 37 (L): CA 56.400 56.400 55.275 1.125 RESID 37 (L): CB 39.800 39.800 40.605 -0.805 RESID 38 (N): N 118.400 118.400 118.874 -0.474 RESID 38 (N): C 177.600 177.600 176.400 1.200 RESID 38 (N): CA 55.900 55.900 56.210 -0.310 RESID 38 (N): CB 40.870 40.870 38.648 2.222 RESID 39 (K): N 121.500 121.500 120.751 0.749 RESID 39 (K): C 174.300 174.300 178.258 -3.958 RESID 39 (K): CA 56.700 56.700 59.931 -3.231 RESID 39 (K): CB 29.900 29.900 32.326 -2.426 RESID 40 (Y): N 120.100 120.100 119.272 0.828 RESID 40 (Y): C 176.800 176.800 177.715 -0.915 RESID 40 (Y): CA 58.200 58.200 61.197 -2.997 RESID 40 (Y): CB 40.000 40.000 38.157 1.843 RESID 41 (V): N 120.700 120.700 119.776 0.924 RESID 41 (V): C 176.000 176.000 177.700 -1.700 RESID 41 (V): CA 65.000 65.000 66.940 -1.940 RESID 41 (V): CB 29.750 29.750 31.559 -1.809 RESID 42 (V): N 121.200 121.200 120.044 1.156 RESID 42 (V): C 176.200 176.200 178.077 -1.877 RESID 42 (V): CA 65.560 65.560 67.038 -1.478 RESID 42 (V): CB 29.700 29.700 31.759 -2.059 RESID 43 (I): N 120.900 120.900 119.824 1.076 RESID 43 (I): C 177.000 177.000 177.476 -0.476 RESID 43 (I): CA 64.300 64.300 64.731 -0.431 RESID 43 (I): CB 36.600 36.600 37.425 -0.825 RESID 44 (I): N 120.500 120.500 120.254 0.246 RESID 44 (I): C 175.000 175.000 177.689 -2.689 RESID 44 (I): CA 59.700 59.700 64.790 -5.090 RESID 44 (I): CB 37.000 37.000 36.553 0.447 RESID 45 (A): N 121.600 121.600 122.637 -1.037 RESID 45 (A): C 175.700 175.700 179.553 -3.853 RESID 45 (A): CA 52.700 52.700 55.393 -2.693 RESID 45 (A): CB 16.600 16.600 17.922 -1.322 RESID 46 (Y): N 120.400 120.400 120.478 -0.078 RESID 46 (Y): C 175.400 175.400 177.476 -2.076 RESID 46 (Y): CA 58.530 58.530 61.673 -3.143 RESID 46 (Y): CB 39.850 39.850 38.517 1.333 RESID 47 (A): N 124.700 124.700 122.983 1.717 RESID 47 (A): C 174.800 174.800 179.485 -4.685 RESID 47 (A): CA 53.800 53.800 55.786 -1.986 RESID 47 (A): CB 15.530 15.530 18.596 -3.066 RESID 48 (L): N 117.700 117.700 119.631 -1.931 RESID 48 (L): C 177.400 177.400 178.846 -1.446 RESID 48 (L): CA 56.860 56.860 57.585 -0.725 RESID 49 (V): N 118.400 118.400 120.351 -1.951 RESID 49 (V): C 181.100 181.100 178.034 3.066 RESID 49 (V): CA 67.800 67.800 66.284 1.516 RESID 49 (V): CB 29.900 29.900 31.401 -1.501 RESID 50 (F): N 124.700 124.700 120.023 4.677 RESID 50 (F): C 171.900 171.900 177.125 -5.225 RESID 50 (F): CA 61.600 61.600 59.762 1.838 RESID 50 (F): CB 42.620 42.620 38.778 3.842 RESID 51 (L): N 125.600 125.600 121.615 3.985 RESID 51 (L): C 176.600 176.600 177.903 -1.303 RESID 51 (L): CA 55.850 55.850 58.310 -2.460 RESID 51 (L): CB 40.220 40.220 41.479 -1.259 RESID 52 (L): N 122.800 122.800 117.050 5.750 RESID 52 (L): C 173.700 173.700 178.551 -4.851 RESID 52 (L): CA 56.300 56.300 58.939 -2.639 RESID 52 (L): CB 39.200 39.200 40.618 -1.418 RESID 53 (S): N 118.700 118.700 115.175 3.525 RESID 53 (S): C 173.000 173.000 176.731 -3.731 RESID 53 (S): CA 58.200 58.200 61.072 -2.872 RESID 54 (L): N 123.500 123.500 123.452 0.048 RESID 54 (L): C 176.800 176.800 178.409 -1.609 RESID 54 (L): CA 56.400 56.400 57.622 -1.222 RESID 54 (L): CB 40.000 40.000 41.523 -1.523 RESID 55 (L): N 124.600 124.600 115.967 8.633 RESID 55 (L): C 177.200 177.200 178.702 -1.502 RESID 55 (L): CA 56.000 56.000 57.498 -1.498 RESID 55 (L): CB 40.000 40.000 40.851 -0.851 RESID 56 (G): N 109.600 109.600 107.335 2.265 RESID 56 (G): C 174.800 174.800 176.058 -1.258 RESID 56 (G): CA 47.400 47.400 47.030 0.370 RESID 57 (N): N 118.200 118.200 119.539 -1.339 RESID 57 (N): C 176.900 176.900 177.762 -0.862 RESID 57 (N): CA 55.700 55.700 55.981 -0.281 RESID 57 (N): CB 39.300 39.300 38.110 1.190 RESID 58 (S): N 111.300 111.300 115.809 -4.509 RESID 58 (S): C 180.100 180.100 176.407 3.693 RESID 58 (S): CA 59.900 59.900 61.693 -1.793 RESID 58 (S): CB 63.300 63.300 62.857 0.443 RESID 59 (L): N 121.100 121.100 121.388 -0.288 RESID 59 (L): C 177.400 177.400 178.685 -1.285 RESID 59 (L): CA 56.150 56.150 57.959 -1.809 RESID 59 (L): CB 41.000 41.000 41.324 -0.324 RESID 60 (V): N 119.300 119.300 119.204 0.096 RESID 60 (V): C 175.200 175.200 178.555 -3.355 RESID 60 (V): CA 65.400 65.400 66.198 -0.798 RESID 60 (V): CB 29.500 29.500 31.437 -1.937 RESID 61 (M): N 118.900 118.900 119.275 -0.375 RESID 61 (M): C 176.500 176.500 178.643 -2.143 RESID 61 (M): CA 55.840 55.840 58.106 -2.266 RESID 62 (L): N 122.100 122.100 119.102 2.998 RESID 62 (L): C 177.700 177.700 179.236 -1.536 RESID 62 (L): CA 56.160 56.160 57.917 -1.757 RESID 62 (L): CB 39.110 39.110 41.502 -2.392 RESID 63 (V): N 121.100 121.100 119.998 1.102 RESID 63 (V): CA 64.850 64.850 66.729 -1.879 RESID 63 (V): CB 29.600 29.600 31.238 -1.637 RESID 64 (I): N 121.000 121.000 117.678 3.322 RESID 64 (I): C 175.100 175.100 179.449 -4.349 RESID 64 (I): CA 64.400 64.400 63.449 0.951 RESID 64 (I): CB 36.600 36.600 36.600 -0.000 RESID 65 (L): N 119.000 119.000 117.704 1.296 RESID 65 (L): C 173.800 173.800 178.555 -4.755 RESID 65 (L): CA 56.200 56.200 58.137 -1.937 RESID 65 (L): CB 39.300 39.300 40.954 -1.654 RESID 66 (Y): N 120.200 120.200 117.866 2.334 RESID 66 (Y): C 176.700 176.700 174.851 1.849 RESID 66 (Y): CA 58.340 58.340 57.936 0.404 RESID 66 (Y): CB 40.000 40.000 39.414 0.586 RESID 67 (S): N 116.700 116.700 116.298 0.402 RESID 67 (S): C 175.400 175.400 175.748 -0.348 RESID 67 (S): CA 60.000 60.000 57.994 2.006 RESID 67 (S): CB 62.000 62.000 64.074 -2.074 RESID 68 (R): N 121.500 121.500 127.085 -5.585 RESID 68 (R): C 175.300 175.300 177.419 -2.119 RESID 68 (R): CA 60.400 60.400 58.772 1.628 RESID 69 (V): N 120.600 120.600 115.311 5.289 RESID 69 (V): C 174.600 174.600 175.812 -1.212 RESID 69 (V): CA 65.800 65.800 62.385 3.415 RESID 69 (V): CB 29.850 29.850 31.190 -1.340 RESID 70 (G): N 110.700 110.700 107.958 2.742 RESID 70 (G): C 174.400 174.400 174.018 0.382 RESID 70 (G): CA 41.700 41.700 44.524 -2.824 RESID 71 (R): N 122.900 122.900 120.457 2.443 RESID 71 (R): C 176.500 176.500 174.624 1.876 RESID 71 (R): CA 56.800 56.800 53.229 3.571 RESID 71 (R): CB 29.900 29.900 27.886 2.014 RESID 72 (S): N 117.300 117.300 116.607 0.693 RESID 72 (S): C 174.300 174.300 174.966 -0.666 RESID 72 (S): CA 57.800 57.800 56.592 1.208 RESID 73 (V): N 120.400 120.400 119.679 0.721 RESID 73 (V): C 175.700 175.700 177.687 -1.987 RESID 73 (V): CA 66.100 66.100 65.409 0.691 RESID 73 (V): CB 29.650 29.650 31.512 -1.861 RESID 74 (T): N 117.300 117.300 111.556 5.744 RESID 74 (T): C 175.800 175.800 175.338 0.462 RESID 74 (T): CA 64.000 64.000 64.669 -0.669 RESID 75 (D): N 122.900 122.900 123.603 -0.703 RESID 75 (D): C 176.500 176.500 177.896 -1.396 RESID 75 (D): CA 56.000 56.000 57.164 -1.164 RESID 75 (D): CB 40.300 40.300 40.069 0.231 RESID 76 (V): N 120.800 120.800 119.924 0.876 RESID 76 (V): C 175.600 175.600 176.977 -1.377 RESID 76 (V): CA 66.400 66.400 65.715 0.685 RESID 76 (V): CB 30.400 30.400 31.577 -1.177 RESID 77 (Y): N 123.800 123.800 119.345 4.455 RESID 77 (Y): C 175.700 175.700 177.897 -2.197 RESID 77 (Y): CA 60.560 60.560 62.111 -1.551 RESID 77 (Y): CB 37.000 37.000 38.468 -1.468 RESID 78 (L): N 121.000 121.000 120.202 0.798 RESID 78 (L): C 176.500 176.500 178.748 -2.248 RESID 78 (L): CA 55.900 55.900 57.606 -1.706 RESID 78 (L): CB 40.000 40.000 40.916 -0.916 RESID 79 (L): N 126.200 126.200 120.467 5.733 RESID 79 (L): C 176.000 176.000 178.746 -2.746 RESID 79 (L): CA 55.800 55.800 58.434 -2.635 RESID 79 (L): CB 40.240 40.240 40.884 -0.644 RESID 80 (N): N 121.300 121.300 118.260 3.040 RESID 80 (N): C 178.100 178.100 177.741 0.359 RESID 80 (N): CA 56.500 56.500 55.800 0.700 RESID 80 (N): CB 39.100 39.100 38.218 0.882 RESID 81 (L): N 124.100 124.100 121.858 2.242 RESID 81 (L): C 176.300 176.300 178.596 -2.296 RESID 81 (L): CA 56.000 56.000 58.023 -2.023 RESID 81 (L): CB 38.100 38.100 41.778 -3.678 RESID 82 (A): N 124.700 124.700 121.583 3.117 RESID 82 (A): C 177.500 177.500 179.522 -2.022 RESID 82 (A): CA 53.400 53.400 55.093 -1.693 RESID 82 (A): CB 18.300 18.300 18.024 0.276 RESID 83 (L): N 121.400 121.400 120.048 1.352 RESID 83 (L): C 176.500 176.500 178.504 -2.004 RESID 83 (L): CA 55.900 55.900 57.895 -1.996 RESID 83 (L): CB 40.200 40.200 41.865 -1.665 RESID 84 (A): N 123.900 123.900 120.820 3.080 RESID 84 (A): C 176.600 176.600 178.337 -1.737 RESID 84 (A): CA 54.400 54.400 54.943 -0.543 RESID 84 (A): CB 16.600 16.600 17.685 -1.085 RESID 85 (D): N 120.300 120.300 119.047 1.253 RESID 85 (D): C 178.400 178.400 177.956 0.444 RESID 85 (D): CA 56.330 56.330 57.439 -1.109 RESID 85 (D): CB 39.850 39.850 40.984 -1.134 RESID 86 (L): N 122.700 122.700 121.432 1.268 RESID 86 (L): C 173.600 173.600 178.004 -4.404 RESID 86 (L): CA 56.300 56.300 58.695 -2.395 RESID 86 (L): CB 39.500 39.500 41.873 -2.373 RESID 87 (L): N 122.000 122.000 120.391 1.609 RESID 87 (L): C 175.600 175.600 178.607 -3.007 RESID 87 (L): CA 56.150 56.150 58.135 -1.985 RESID 87 (L): CB 40.000 40.000 41.319 -1.319 RESID 88 (F): N 119.200 119.200 118.078 1.122 RESID 88 (F): C 173.900 173.900 178.455 -4.555 RESID 88 (F): CA 55.900 55.900 58.547 -2.647 RESID 88 (F): CB 40.400 40.400 36.831 3.569 RESID 89 (A): N 126.600 126.600 121.657 4.943 RESID 89 (A): C 172.900 172.900 180.107 -7.207 RESID 89 (A): CA 53.100 53.100 54.843 -1.743 RESID 89 (A): CB 17.000 17.000 18.532 -1.532 RESID 90 (L): N 119.700 119.700 118.579 1.121 RESID 90 (L): C 172.500 172.500 177.834 -5.334 RESID 90 (L): CA 56.500 56.500 57.728 -1.228 RESID 90 (L): CB 39.900 39.900 41.789 -1.889 RESID 91 (T): N 115.300 115.300 109.895 5.405 RESID 91 (T): C 176.400 176.400 176.211 0.189 RESID 91 (T): CA 60.000 60.000 63.582 -3.582 RESID 91 (T): CB 69.500 69.500 69.033 0.467 RESID 92 (L): N 123.000 123.000 123.933 -0.933 RESID 92 (L): C 175.400 175.400 175.265 0.135 RESID 92 (L): CA 55.600 55.600 59.977 -4.377 RESID 92 (L): CB 40.800 40.800 39.573 1.227 RESID 94 (I): N 121.000 121.000 115.855 5.145 RESID 94 (I): C 176.800 176.800 178.000 -1.200 RESID 94 (I): CA 64.300 64.300 64.966 -0.666 RESID 94 (I): CB 36.600 36.600 37.605 -1.005 RESID 95 (W): N 120.500 120.500 122.232 -1.732 RESID 95 (W): C 176.700 176.700 177.711 -1.011 RESID 95 (W): CA 58.100 58.100 60.173 -2.073 RESID 95 (W): CB 29.000 29.000 28.899 0.101 RESID 96 (A): N 126.300 126.300 120.894 5.406 RESID 96 (A): C 178.300 178.300 179.080 -0.780 RESID 96 (A): CA 52.400 52.400 54.547 -2.147 RESID 96 (A): CB 20.400 20.400 17.776 2.624 RESID 97 (A): N 123.200 123.200 120.367 2.833 RESID 97 (A): C 178.000 178.000 179.569 -1.569 RESID 97 (A): CA 53.600 53.600 54.751 -1.151 RESID 97 (A): CB 16.700 16.700 18.129 -1.429 RESID 98 (S): N 109.400 109.400 111.995 -2.595 RESID 98 (S): CA 63.000 63.000 60.283 2.716 RESID 99 (K): N 121.500 121.500 120.758 0.742 RESID 99 (K): C 177.300 177.300 178.338 -1.038 RESID 99 (K): CA 56.100 56.100 57.950 -1.850 RESID 99 (K): CB 30.700 30.700 32.947 -2.248 RESID 100 (V): N 121.200 121.200 120.024 1.176 RESID 100 (V): C 176.300 176.300 177.572 -1.272 RESID 100 (V): CA 64.900 64.900 65.465 -0.565 RESID 100 (V): CB 29.850 29.850 32.032 -2.182 RESID 101 (N): N 116.700 116.700 116.388 0.312 RESID 101 (N): C 173.800 173.800 176.958 -3.158 RESID 101 (N): CA 52.300 52.300 54.427 -2.127 RESID 101 (N): CB 39.700 39.700 39.086 0.615 RESID 102 (G): N 109.500 109.500 107.006 2.494 RESID 102 (G): C 174.600 174.600 173.475 1.125 RESID 102 (G): CA 45.900 45.900 44.882 1.018 RESID 103 (W): N 117.700 117.700 119.007 -1.307 RESID 103 (W): C 173.900 173.900 174.813 -0.913 RESID 103 (W): CA 58.000 58.000 56.290 1.710 RESID 103 (W): CB 31.000 31.000 31.756 -0.756 RESID 104 (I): N 124.300 124.300 115.208 9.092 RESID 104 (I): C 175.700 175.700 174.662 1.038 RESID 104 (I): CA 60.400 60.400 60.221 0.179 RESID 104 (I): CB 35.600 35.600 40.750 -5.150 RESID 105 (F): N 121.100 121.100 118.460 2.640 RESID 105 (F): C 177.200 177.200 174.726 2.474 RESID 105 (F): CA 55.700 55.700 57.774 -2.074 RESID 105 (F): CB 40.500 40.500 39.816 0.684 RESID 106 (G): N 110.000 110.000 113.748 -3.748 RESID 106 (G): C 174.500 174.500 173.362 1.138 RESID 106 (G): CA 41.900 41.900 44.685 -2.785 RESID 107 (T): N 114.700 114.700 115.275 -0.575 RESID 107 (T): C 173.500 173.500 174.791 -1.291 RESID 107 (T): CA 60.500 60.500 61.678 -1.178 RESID 107 (T): CB 69.700 69.700 69.199 0.501 RESID 108 (F): N 124.200 124.200 123.006 1.194 RESID 108 (F): C 173.500 173.500 177.101 -3.601 RESID 108 (F): CA 60.000 60.000 61.691 -1.691 RESID 108 (F): CB 37.030 37.030 38.185 -1.155 RESID 109 (L): N 123.200 123.200 118.904 4.296 RESID 109 (L): C 176.000 176.000 178.234 -2.234 RESID 109 (L): CA 55.500 55.500 58.561 -3.061 RESID 109 (L): CB 40.900 40.900 39.941 0.959 RESID 110 (C): N 117.600 117.600 117.615 -0.015 RESID 110 (C): C 176.700 176.700 177.335 -0.635 RESID 110 (C): CA 55.700 55.700 61.723 -6.023 RESID 110 (C): CB 39.400 39.400 25.950 13.450 RESID 111 (K): N 121.600 121.600 119.658 1.942 RESID 111 (K): C 176.400 176.400 176.857 -0.457 RESID 111 (K): CA 57.300 57.300 58.982 -1.682 RESID 111 (K): CB 30.000 30.000 31.894 -1.894 RESID 112 (V): N 123.600 123.600 116.026 7.574 RESID 112 (V): C 174.100 174.100 177.555 -3.455 RESID 112 (V): CA 68.000 68.000 64.414 3.586 RESID 113 (V): N 127.800 127.800 119.287 8.513 RESID 113 (V): C 169.600 169.600 177.493 -7.893 RESID 113 (V): CA 68.800 68.800 67.061 1.740 RESID 114 (S): N 117.500 117.500 114.982 2.518 RESID 114 (S): C 175.200 175.200 176.018 -0.818 RESID 114 (S): CA 60.200 60.200 60.662 -0.462 RESID 114 (S): CB 61.890 61.890 62.214 -0.324 RESID 115 (L): N 120.000 120.000 123.660 -3.660 RESID 115 (L): C 173.700 173.700 178.356 -4.656 RESID 115 (L): CA 55.900 55.900 57.674 -1.774 RESID 115 (L): CB 40.600 40.600 41.950 -1.350 RESID 116 (L): N 126.000 126.000 117.245 8.755 RESID 116 (L): C 177.800 177.800 178.230 -0.430 RESID 116 (L): CA 55.900 55.900 57.907 -2.007 RESID 116 (L): CB 40.250 40.250 41.166 -0.916 RESID 117 (K): N 120.900 120.900 120.314 0.586 RESID 117 (K): C 173.200 173.200 178.291 -5.091 RESID 117 (K): CA 57.000 57.000 59.772 -2.772 RESID 117 (K): CB 29.800 29.800 31.997 -2.197 RESID 118 (E): N 118.900 118.900 117.482 1.418 RESID 118 (E): C 177.100 177.100 178.937 -1.837 RESID 118 (E): CA 55.300 55.300 58.968 -3.668 RESID 118 (E): CB 28.000 28.000 28.849 -0.849 RESID 119 (V): N 123.400 123.400 116.848 6.552 RESID 119 (V): C 173.600 173.600 177.515 -3.915 RESID 119 (V): CA 65.330 65.330 65.918 -0.588 RESID 119 (V): CB 29.250 29.250 31.539 -2.289 RESID 120 (N): N 120.300 120.300 118.399 1.901 RESID 120 (N): C 174.500 174.500 177.750 -3.250 RESID 120 (N): CA 55.800 55.800 56.521 -0.721 RESID 120 (N): CB 38.900 38.900 38.567 0.333 RESID 121 (F): N 123.600 123.600 119.235 4.365 RESID 121 (F): C 175.500 175.500 178.237 -2.737 RESID 121 (F): CA 60.500 60.500 59.760 0.740 RESID 121 (F): CB 37.000 37.000 38.349 -1.349 RESID 122 (Y): N 120.500 120.500 118.036 2.464 RESID 122 (Y): C 176.100 176.100 177.996 -1.896 RESID 122 (Y): CA 60.900 60.900 60.470 0.430 RESID 122 (Y): CB 37.300 37.300 37.675 -0.375 RESID 123 (S): N 124.600 124.600 116.682 7.918 RESID 123 (S): C 173.900 173.900 176.611 -2.711 RESID 123 (S): CA 57.740 57.740 62.040 -4.300 RESID 123 (S): CB 59.870 59.870 62.797 -2.927 RESID 124 (G): N 107.700 107.700 110.306 -2.606 RESID 124 (G): C 171.000 171.000 176.013 -5.013 RESID 124 (G): CA 42.750 42.750 47.417 -4.667 RESID 125 (I): N 119.500 119.500 122.985 -3.485 RESID 125 (I): C 175.200 175.200 177.913 -2.713 RESID 125 (I): CA 62.950 62.950 64.019 -1.069 RESID 125 (I): CB 36.960 36.960 38.254 -1.294 RESID 126 (L): N 122.300 122.300 119.372 2.928 RESID 126 (L): C 173.600 173.600 179.444 -5.844 RESID 126 (L): CA 56.250 56.250 57.560 -1.310 RESID 127 (L): N 126.500 126.500 121.464 5.036 RESID 127 (L): C 176.100 176.100 178.592 -2.492 RESID 127 (L): CA 55.220 55.220 58.247 -3.027 RESID 127 (L): CB 41.670 41.670 41.883 -0.213 RESID 128 (L): N 121.000 121.000 116.657 4.343 RESID 128 (L): C 175.600 175.600 178.570 -2.970 RESID 128 (L): CA 57.170 57.170 58.041 -0.872 RESID 128 (L): CB 40.300 40.300 39.998 0.302 RESID 129 (A): N 125.800 125.800 123.180 2.620 RESID 129 (A): C 176.000 176.000 179.536 -3.536 RESID 129 (A): CA 52.970 52.970 55.278 -2.308 RESID 129 (A): CB 17.000 17.000 17.813 -0.813 RESID 130 (C): N 120.300 120.300 117.017 3.283 RESID 130 (C): C 177.000 177.000 176.989 0.011 RESID 130 (C): CA 62.070 62.070 64.154 -2.084 RESID 130 (C): CB 29.880 29.880 27.625 2.255 RESID 131 (I): N 121.300 121.300 121.731 -0.431 RESID 131 (I): C 174.000 174.000 177.458 -3.458 RESID 131 (I): CA 63.080 63.080 64.250 -1.170 RESID 131 (I): CB 36.220 36.220 37.457 -1.237 RESID 132 (S): N 117.700 117.700 116.255 1.445 RESID 132 (S): C 175.100 175.100 177.001 -1.901 RESID 132 (S): CA 63.990 63.990 62.797 1.193 RESID 132 (S): CB 66.120 66.120 63.338 2.782 RESID 133 (V): N 129.800 129.800 121.112 8.688 RESID 133 (V): C 177.700 177.700 177.901 -0.201 RESID 133 (V): CA 68.050 68.050 66.836 1.214 RESID 134 (D): N 124.000 124.000 119.871 4.129 RESID 134 (D): C 174.100 174.100 177.929 -3.829 RESID 134 (D): CA 57.500 57.500 57.174 0.326 RESID 134 (D): CB 40.400 40.400 40.566 -0.166 RESID 135 (R): N 124.200 124.200 119.347 4.853 RESID 135 (R): C 174.400 174.400 178.182 -3.782 RESID 135 (R): CA 58.420 58.420 59.120 -0.700 RESID 135 (R): CB 30.700 30.700 29.701 0.999 RESID 136 (Y): N 121.000 121.000 118.661 2.339 RESID 136 (Y): C 176.400 176.400 177.789 -1.389 RESID 136 (Y): CA 60.250 60.250 61.602 -1.352 RESID 136 (Y): CB 37.350 37.350 37.576 -0.226 RESID 137 (L): N 121.400 121.400 118.580 2.820 RESID 137 (L): C 173.700 173.700 177.468 -3.768 RESID 137 (L): CA 54.870 54.870 55.880 -1.010 RESID 137 (L): CB 41.670 41.670 41.765 -0.095 RESID 138 (A): N 125.800 125.800 120.385 5.415 RESID 138 (A): C 176.100 176.100 177.885 -1.785 RESID 138 (A): CA 52.860 52.860 54.117 -1.257 RESID 138 (A): CB 17.270 17.270 19.713 -2.443 RESID 139 (I): N 120.000 120.000 116.504 3.496 RESID 139 (I): C 175.700 175.700 175.006 0.694 RESID 139 (I): CA 60.000 60.000 61.782 -1.782 RESID 139 (I): CB 30.290 30.290 39.925 -9.635 RESID 140 (V): N 118.700 118.700 117.006 1.694 RESID 140 (V): C 173.900 173.900 175.226 -1.326 RESID 140 (V): CA 61.920 61.920 61.261 0.659 RESID 140 (V): CB 30.900 30.900 33.113 -2.213 RESID 141 (H): N 117.200 117.200 119.824 -2.624 RESID 141 (H): C 177.900 177.900 173.978 3.922 RESID 141 (H): CA 58.860 58.860 56.238 2.622 RESID 141 (H): CB 30.090 30.090 29.551 0.539 RESID 142 (A): N 121.200 121.200 123.777 -2.577 RESID 142 (A): C 174.600 174.600 177.026 -2.426 RESID 142 (A): CA 53.170 53.170 52.618 0.552 RESID 142 (A): CB 16.580 16.580 18.509 -1.929 RESID 143 (T): N 118.000 118.000 117.921 0.079 RESID 143 (T): C 177.000 177.000 175.225 1.775 RESID 143 (T): CA 62.520 62.520 64.389 -1.869 RESID 143 (T): CB 64.330 64.330 68.081 -3.751 RESID 144 (R): CA 57.250 57.250 57.082 0.168 RESID 144 (R): CB 30.340 30.340 31.193 -0.853 RESID 145 (T): N 119.700 119.700 109.924 9.776 RESID 145 (T): C 177.000 177.000 173.787 3.213 RESID 145 (T): CA 62.370 62.370 62.585 -0.215 RESID 145 (T): CB 64.120 64.120 69.462 -5.342 RESID 146 (L): N 127.900 127.900 122.065 5.835 RESID 146 (L): C 173.200 173.200 175.564 -2.364 RESID 146 (L): CA 55.790 55.790 54.364 1.426 RESID 146 (L): CB 40.570 40.570 40.916 -0.346 RESID 147 (T): N 124.000 124.000 116.821 7.179 RESID 147 (T): C 177.700 177.700 174.031 3.669 RESID 147 (T): CA 62.050 62.050 61.507 0.543 RESID 147 (T): CB 63.770 63.770 71.186 -7.416 RESID 148 (Q): N 122.800 122.800 122.111 0.689 RESID 148 (Q): C 176.700 176.700 176.918 -0.218 RESID 148 (Q): CA 53.470 53.470 56.508 -3.038 RESID 148 (Q): CB 29.310 29.310 29.702 -0.392 RESID 149 (K): N 120.900 120.900 122.667 -1.767 RESID 149 (K): C 175.900 175.900 178.540 -2.640 RESID 149 (K): CA 59.440 59.440 59.355 0.085 RESID 150 (R): N 122.200 122.200 118.802 3.398 RESID 150 (R): C 177.500 177.500 178.576 -1.076 RESID 150 (R): CA 56.700 56.700 59.557 -2.857 RESID 150 (R): CB 31.150 31.150 29.191 1.959 RESID 151 (H): N 117.300 117.300 117.350 -0.050 RESID 151 (H): C 177.800 177.800 177.491 0.309 RESID 151 (H): CA 59.130 59.130 59.889 -0.759 RESID 151 (H): CB 29.400 29.400 29.244 0.156 RESID 152 (L): N 120.400 120.400 119.663 0.737 RESID 152 (L): C 176.800 176.800 178.346 -1.546 RESID 152 (L): CA 56.150 56.150 58.062 -1.913 RESID 152 (L): CB 39.810 39.810 41.792 -1.982 RESID 153 (V): N 121.500 121.500 116.077 5.423 RESID 153 (V): C 174.300 174.300 177.508 -3.208 RESID 153 (V): CA 61.240 61.240 66.439 -5.199 RESID 154 (K): N 117.000 117.000 121.335 -4.335 RESID 154 (K): C 175.300 175.300 178.048 -2.748 RESID 154 (K): CA 59.000 59.000 59.792 -0.792 RESID 155 (F): N 121.100 121.100 120.451 0.649 RESID 155 (F): C 176.600 176.600 177.170 -0.570 RESID 155 (F): CA 61.200 61.200 61.074 0.126 RESID 156 (V): N 123.800 123.800 120.108 3.692 RESID 156 (V): C 177.700 177.700 177.591 0.109 RESID 156 (V): CA 62.170 62.170 65.639 -3.469 RESID 156 (V): CB 33.400 33.400 30.551 2.849 RESID 157 (C): CA 58.260 58.260 64.053 -5.793 RESID 158 (L): N 122.900 122.900 120.999 1.901 RESID 158 (L): C 175.500 175.500 178.602 -3.102 RESID 158 (L): CA 55.750 55.750 58.628 -2.878 RESID 159 (G): N 104.900 104.900 106.125 -1.225 RESID 159 (G): C 176.200 176.200 176.171 0.029 RESID 159 (G): CA 44.750 44.750 47.042 -2.292 RESID 160 (C): N 116.700 116.700 120.978 -4.278 RESID 160 (C): C 181.100 181.100 176.926 4.174 RESID 160 (C): CA 59.000 59.000 63.356 -4.356 RESID 160 (C): CB 29.130 29.130 26.675 2.455 RESID 161 (W): N 119.000 119.000 121.364 -2.364 RESID 161 (W): C 174.900 174.900 178.611 -3.711 RESID 161 (W): CA 55.880 55.880 60.846 -4.966 RESID 162 (G): N 108.300 108.300 106.199 2.101 RESID 162 (G): C 173.600 173.600 175.821 -2.221 RESID 162 (G): CA 45.100 45.100 47.438 -2.338 RESID 163 (L): N 120.200 120.200 121.630 -1.430 RESID 163 (L): C 173.500 173.500 178.587 -5.087 RESID 163 (L): CA 55.800 55.800 57.052 -1.252 RESID 163 (L): CB 39.850 39.850 41.871 -2.021 RESID 164 (S): N 117.200 117.200 115.734 1.466 RESID 164 (S): C 175.000 175.000 176.828 -1.828 RESID 164 (S): CA 55.600 55.600 61.652 -6.052 RESID 164 (S): CB 65.660 65.660 62.882 2.778 RESID 165 (M): N 121.200 121.200 121.361 -0.161 RESID 165 (M): C 175.500 175.500 177.690 -2.190 RESID 165 (M): CA 57.600 57.600 56.868 0.732 RESID 165 (M): CB 30.000 30.000 31.985 -1.985 RESID 166 (N): N 120.200 120.200 118.281 1.919 RESID 166 (N): C 176.500 176.500 177.451 -0.951 RESID 166 (N): CA 56.080 56.080 55.904 0.176 RESID 166 (N): CB 38.940 38.940 38.295 0.645 RESID 167 (L): N 120.800 120.800 119.649 1.151 RESID 167 (L): C 177.200 177.200 178.195 -0.995 RESID 167 (L): CA 64.900 64.900 57.128 7.772 RESID 167 (L): CB 36.400 36.400 41.418 -5.018 RESID 168 (S): N 119.400 119.400 114.242 5.158 RESID 168 (S): C 174.100 174.100 176.632 -2.532 RESID 168 (S): CA 55.700 55.700 60.493 -4.793 RESID 168 (S): CB 57.600 57.600 63.282 -5.682 RESID 169 (L): N 122.900 122.900 125.307 -2.407 RESID 169 (L): C 177.500 177.500 175.255 2.245 RESID 169 (L): CA 56.460 56.460 58.934 -2.474 RESID 169 (L): CB 39.200 39.200 39.950 -0.750 RESID 171 (F): N 118.600 118.600 117.118 1.482 RESID 171 (F): C 173.600 173.600 176.117 -2.517 RESID 171 (F): CA 61.700 61.700 60.682 1.018 RESID 172 (F): N 116.300 116.300 116.437 -0.137 RESID 172 (F): C 174.200 174.200 177.184 -2.984 RESID 172 (F): CA 59.500 59.500 60.514 -1.014 RESID 172 (F): CB 42.000 42.000 38.895 3.105 RESID 173 (L): N 120.400 120.400 118.727 1.673 RESID 173 (L): C 177.300 177.300 177.817 -0.517 RESID 173 (L): CA 54.730 54.730 57.953 -3.223 RESID 173 (L): CB 37.230 37.230 43.006 -5.776 RESID 174 (F): N 121.200 121.200 113.568 7.632 RESID 174 (F): C 177.000 177.000 174.255 2.745 RESID 174 (F): CA 59.000 59.000 58.161 0.839 RESID 174 (F): CB 43.220 43.220 42.159 1.061 RESID 175 (R): N 118.500 118.500 120.216 -1.716 RESID 175 (R): C 178.400 178.400 176.071 2.329 RESID 175 (R): CA 56.200 56.200 56.755 -0.555 RESID 176 (Q): N 122.100 122.100 117.600 4.500 RESID 176 (Q): C 178.000 178.000 173.387 4.613 RESID 176 (Q): CA 56.200 56.200 58.066 -1.866 RESID 177 (A): N 123.200 123.200 118.276 4.924 RESID 177 (A): C 176.900 176.900 175.651 1.249 RESID 177 (A): CA 54.300 54.300 51.964 2.336 RESID 177 (A): CB 16.870 16.870 21.079 -4.209 RESID 178 (Y): N 120.700 120.700 119.153 1.547 RESID 178 (Y): C 174.800 174.800 175.518 -0.718 RESID 178 (Y): CA 56.600 56.600 56.347 0.253 RESID 178 (Y): CB 39.900 39.900 38.288 1.612 RESID 179 (H): N 119.600 119.600 119.071 0.529 RESID 179 (H): C 176.600 176.600 173.374 3.226 RESID 179 (H): CA 58.220 58.220 53.482 4.738 RESID 179 (H): CB 31.560 31.560 28.894 2.666 RESID 181 (N): N 119.200 119.200 116.720 2.480 RESID 181 (N): C 172.500 172.500 174.256 -1.756 RESID 181 (N): CA 56.150 56.150 52.139 4.011 RESID 181 (N): CB 36.500 36.500 41.203 -4.703 RESID 182 (N): N 114.100 114.100 121.502 -7.402 RESID 182 (N): C 175.800 175.800 173.010 2.790 RESID 182 (N): CA 55.500 55.500 55.475 0.025 RESID 183 (S): N 117.200 117.200 115.183 2.017 RESID 183 (S): C 175.600 175.600 172.863 2.737 RESID 183 (S): CA 55.400 55.400 57.873 -2.473 RESID 183 (S): CB 63.800 63.800 63.407 0.393 RESID 184 (S): N 117.000 117.000 116.099 0.901 RESID 184 (S): C 175.000 175.000 172.032 2.968 RESID 184 (S): CA 55.500 55.500 56.316 -0.816 RESID 184 (S): CB 63.800 63.800 65.043 -1.243 RESID 186 (V): N 119.500 119.500 121.016 -1.516 RESID 186 (V): C 175.300 175.300 173.867 1.433 RESID 186 (V): CA 65.290 65.290 60.298 4.992 RESID 186 (V): CB 30.120 30.120 32.745 -2.625 RESID 187 (C): N 116.500 116.500 127.754 -11.254 RESID 187 (C): C 176.300 176.300 173.672 2.628 RESID 187 (C): CA 56.000 56.000 58.464 -2.464 RESID 187 (C): CB 40.000 40.000 27.920 12.080 RESID 188 (Y): N 121.300 121.300 122.494 -1.194 RESID 188 (Y): C 176.500 176.500 173.971 2.529 RESID 188 (Y): CA 55.860 55.860 54.952 0.908 RESID 188 (Y): CB 40.240 40.240 40.698 -0.458 RESID 189 (E): N 122.000 122.000 119.253 2.747 RESID 189 (E): C 175.500 175.500 176.088 -0.588 RESID 189 (E): CA 57.900 57.900 56.073 1.827 RESID 189 (E): CB 31.840 31.840 29.788 2.052 RESID 190 (V): N 123.500 123.500 117.751 5.749 RESID 190 (V): C 172.800 172.800 176.912 -4.112 RESID 190 (V): CA 65.670 65.670 62.900 2.770 RESID 190 (V): CB 29.200 29.200 32.412 -3.212 RESID 191 (L): N 129.900 129.900 124.217 5.683 RESID 191 (L): CA 55.500 55.500 56.757 -1.257 RESID 192 (G): N 107.500 107.500 101.482 6.018 RESID 192 (G): C 173.500 173.500 172.983 0.517 RESID 192 (G): CA 44.870 44.870 44.274 0.596 RESID 193 (N): N 116.600 116.600 116.525 0.075 RESID 193 (N): CA 52.800 52.800 54.906 -2.106 RESID 193 (N): CB 39.560 39.560 38.468 1.092 RESID 194 (D): N 123.100 123.100 116.656 6.444 RESID 194 (D): C 172.800 172.800 176.636 -3.836 RESID 194 (D): CA 53.900 53.900 54.531 -0.631 RESID 194 (D): CB 39.700 39.700 39.475 0.225 RESID 195 (T): N 118.800 118.800 112.763 6.037 RESID 195 (T): C 175.500 175.500 175.714 -0.214 RESID 195 (T): CA 63.000 63.000 64.878 -1.878 RESID 196 (A): N 123.300 123.300 123.475 -0.175 RESID 196 (A): C 173.000 173.000 178.223 -5.223 RESID 196 (A): CA 53.800 53.800 54.368 -0.568 RESID 196 (A): CB 17.240 17.240 18.754 -1.514 RESID 197 (K): N 121.700 121.700 114.035 7.665 RESID 197 (K): C 175.000 175.000 175.181 -0.181 RESID 197 (K): CA 56.900 56.900 54.285 2.615 RESID 197 (K): CB 29.900 29.900 33.200 -3.300 RESID 198 (W): N 120.700 120.700 118.171 2.529 RESID 198 (W): C 177.600 177.600 176.785 0.815 RESID 198 (W): CA 59.300 59.300 57.240 2.060 RESID 198 (W): CB 29.700 29.700 25.744 3.956 RESID 199 (R): N 123.500 123.500 120.195 3.305 RESID 199 (R): C 178.100 178.100 177.836 0.264 RESID 199 (R): CA 55.950 55.950 58.800 -2.850 RESID 199 (R): CB 31.060 31.060 29.701 1.359 RESID 200 (M): N 119.900 119.900 120.479 -0.579 RESID 200 (M): C 175.400 175.400 177.904 -2.504 RESID 200 (M): CA 58.100 58.100 58.517 -0.417 RESID 200 (M): CB 31.100 31.100 32.275 -1.175 RESID 201 (V): N 123.700 123.700 117.444 6.256 RESID 201 (V): C 174.900 174.900 177.433 -2.533 RESID 201 (V): CA 65.700 65.700 65.522 0.178 RESID 201 (V): CB 29.180 29.180 30.834 -1.654 RESID 202 (L): N 124.000 124.000 120.577 3.423 RESID 202 (L): C 172.700 172.700 178.799 -6.099 RESID 202 (L): CA 54.800 54.800 58.277 -3.477 RESID 203 (R): N 124.000 124.000 117.749 6.251 RESID 203 (R): C 176.200 176.200 179.081 -2.881 RESID 203 (R): CA 55.800 55.800 59.266 -3.466 RESID 203 (R): CB 31.260 31.260 29.845 1.415 RESID 204 (I): N 120.500 120.500 119.243 1.257 RESID 204 (I): C 176.000 176.000 178.104 -2.104 RESID 204 (I): CA 64.700 64.700 62.573 2.127 RESID 204 (I): CB 36.400 36.400 37.148 -0.748 RESID 205 (L): N 123.400 123.400 121.711 1.689 RESID 205 (L): C 176.000 176.000 175.808 0.192 RESID 205 (L): CA 55.000 55.000 60.365 -5.365 RESID 206 (P): CA 62.500 62.500 66.003 -3.503 RESID 207 (H): N 113.500 113.500 116.986 -3.486 RESID 207 (H): C 175.200 175.200 177.446 -2.246 RESID 207 (H): CA 53.110 53.110 59.480 -6.370 RESID 207 (H): CB 30.000 30.000 30.644 -0.644 RESID 208 (T): N 122.100 122.100 114.804 7.296 RESID 208 (T): C 178.000 178.000 176.145 1.855 RESID 208 (T): CA 62.850 62.850 65.984 -3.134 RESID 209 (F): N 117.500 117.500 121.216 -3.716 RESID 209 (F): C 175.400 175.400 176.702 -1.302 RESID 209 (F): CA 59.850 59.850 59.336 0.514 RESID 210 (G): N 111.700 111.700 107.179 4.521 RESID 210 (G): C 174.100 174.100 173.626 0.474 RESID 210 (G): CA 45.000 45.000 45.787 -0.787 RESID 211 (F): N 120.900 120.900 120.681 0.219 RESID 211 (F): C 175.000 175.000 176.757 -1.757 RESID 211 (F): CA 55.950 55.950 58.901 -2.951 RESID 212 (I): N 120.100 120.100 120.272 -0.172 RESID 212 (I): C 175.900 175.900 177.896 -1.996 RESID 212 (I): CA 64.440 64.440 64.452 -0.012 RESID 212 (I): CB 36.600 36.600 36.720 -0.120 RESID 213 (V): N 123.400 123.400 120.217 3.183 RESID 213 (V): C 175.300 175.300 174.978 0.322 RESID 213 (V): CA 65.750 65.750 68.881 -3.131 RESID 213 (V): CB 29.680 29.680 29.036 0.644 RESID 215 (L): N 125.300 125.300 120.050 5.250 RESID 215 (L): C 177.200 177.200 178.160 -0.960 RESID 215 (L): CA 55.700 55.700 57.927 -2.227 RESID 215 (L): CB 40.150 40.150 41.327 -1.177 RESID 216 (F): N 123.800 123.800 118.876 4.924 RESID 216 (F): C 179.200 179.200 177.508 1.692 RESID 216 (F): CA 60.650 60.650 60.978 -0.328 RESID 216 (F): CB 37.000 37.000 38.657 -1.657 RESID 217 (V): N 118.500 118.500 120.543 -2.043 RESID 217 (V): C 175.400 175.400 177.600 -2.200 RESID 217 (V): CA 65.660 65.660 65.552 0.108 RESID 217 (V): CB 29.920 29.920 31.041 -1.121 RESID 218 (M): N 118.300 118.300 118.571 -0.271 RESID 218 (M): C 174.400 174.400 178.431 -4.031 RESID 218 (M): CA 55.000 55.000 58.755 -3.755 RESID 218 (M): CB 31.650 31.650 31.150 0.500 RESID 219 (L): N 120.500 120.500 118.353 2.147 RESID 219 (L): C 177.600 177.600 179.083 -1.483 RESID 219 (L): CA 55.800 55.800 57.984 -2.184 RESID 219 (L): CB 40.810 40.810 40.879 -0.069 RESID 220 (F): N 124.700 124.700 120.343 4.357 RESID 220 (F): C 176.000 176.000 177.461 -1.461 RESID 220 (F): CA 61.170 61.170 61.370 -0.200 RESID 221 (C): N 117.800 117.800 117.655 0.145 RESID 221 (C): C 176.000 176.000 177.290 -1.290 RESID 221 (C): CA 61.870 61.870 62.135 -0.265 RESID 222 (Y): N 122.000 122.000 123.071 -1.071 RESID 222 (Y): C 178.400 178.400 178.880 -0.480 RESID 222 (Y): CA 57.500 57.500 59.390 -1.890 RESID 222 (Y): CB 37.150 37.150 37.053 0.097 RESID 223 (G): N 110.300 110.300 106.596 3.704 RESID 223 (G): C 174.500 174.500 175.708 -1.208 RESID 223 (G): CA 41.700 41.700 47.029 -5.329 RESID 224 (F): N 120.100 120.100 119.955 0.145 RESID 224 (F): C 176.500 176.500 178.682 -2.182 RESID 224 (F): CA 62.300 62.300 60.920 1.380 RESID 224 (F): CB 36.900 36.900 39.074 -2.174 RESID 225 (T): N 118.500 118.500 115.516 2.984 RESID 225 (T): C 175.000 175.000 176.903 -1.903 RESID 225 (T): CA 64.650 64.650 66.300 -1.650 RESID 226 (L): N 122.900 122.900 122.403 0.497 RESID 226 (L): C 177.200 177.200 178.063 -0.863 RESID 226 (L): CA 55.900 55.900 56.770 -0.870 RESID 226 (L): CB 39.400 39.400 41.137 -1.737 RESID 227 (R): N 121.000 121.000 117.608 3.392 RESID 227 (R): C 177.200 177.200 177.605 -0.405 RESID 227 (R): CA 54.600 54.600 58.565 -3.965 RESID 227 (R): CB 28.500 28.500 29.815 -1.315 RESID 228 (T): N 119.600 119.600 112.710 6.890 RESID 228 (T): C 176.900 176.900 175.053 1.847 RESID 228 (T): CA 64.750 64.750 63.616 1.134 RESID 228 (T): CB 66.560 66.560 70.772 -4.212 RESID 229 (L): N 125.600 125.600 124.826 0.774 RESID 229 (L): C 177.800 177.800 176.483 1.317 RESID 229 (L): CA 55.700 55.700 53.560 2.139 RESID 229 (L): CB 40.260 40.260 41.213 -0.953 RESID 230 (F): N 121.900 121.900 125.839 -3.939 RESID 230 (F): C 176.900 176.900 176.145 0.755 RESID 230 (F): CA 58.770 58.770 61.223 -2.453 RESID 230 (F): CB 41.940 41.940 39.522 2.418 RESID 231 (K): N 121.600 121.600 119.379 2.221 RESID 231 (K): C 174.900 174.900 175.875 -0.975 RESID 231 (K): CA 56.000 56.000 56.173 -0.173 RESID 231 (K): CB 30.900 30.900 32.342 -1.442 RESID 232 (A): N 123.500 123.500 124.030 -0.530 RESID 232 (A): C 176.900 176.900 176.202 0.698 RESID 232 (A): CA 54.000 54.000 53.231 0.769 RESID 232 (A): CB 21.830 21.830 18.130 3.700 RESID 233 (H): N 123.500 123.500 118.798 4.702 RESID 233 (H): C 176.100 176.100 174.082 2.018 RESID 233 (H): CA 55.700 55.700 53.834 1.866 RESID 233 (H): CB 29.060 29.060 29.349 -0.288 RESID 234 (M): N 120.000 120.000 121.335 -1.335 RESID 234 (M): C 176.700 176.700 176.242 0.458 RESID 234 (M): CA 58.000 58.000 55.902 2.098 RESID 234 (M): CB 31.810 31.810 31.484 0.326 RESID 235 (G): N 109.600 109.600 111.557 -1.957 RESID 235 (G): C 173.300 173.300 174.705 -1.405 RESID 235 (G): CA 42.800 42.800 44.255 -1.455 RESID 236 (Q): N 116.800 116.800 121.237 -4.437 RESID 236 (Q): C 173.100 173.100 177.385 -4.285 RESID 236 (Q): CA 55.000 55.000 57.984 -2.984 RESID 236 (Q): CB 25.400 25.400 29.035 -3.635 RESID 237 (K): N 123.200 123.200 117.631 5.569 RESID 237 (K): C 178.100 178.100 176.512 1.588 RESID 237 (K): CA 56.000 56.000 58.458 -2.458 RESID 237 (K): CB 31.110 31.110 31.494 -0.383 RESID 238 (H): N 123.600 123.600 115.723 7.877 RESID 238 (H): C 177.000 177.000 177.243 -0.243 RESID 238 (H): CA 54.720 54.720 57.391 -2.671 RESID 238 (H): CB 30.000 30.000 31.580 -1.580 RESID 239 (R): N 122.100 122.100 121.674 0.426 RESID 239 (R): C 176.600 176.600 178.224 -1.624 RESID 239 (R): CA 55.650 55.650 58.983 -3.333 RESID 239 (R): CB 31.100 31.100 29.155 1.945 RESID 240 (A): N 121.800 121.800 123.124 -1.324 RESID 240 (A): C 175.900 175.900 179.269 -3.369 RESID 240 (A): CA 52.800 52.800 55.217 -2.417 RESID 240 (A): CB 16.700 16.700 18.121 -1.421 RESID 241 (M): N 120.200 120.200 118.010 2.190 RESID 241 (M): C 175.600 175.600 178.276 -2.676 RESID 241 (M): CA 58.100 58.100 58.933 -0.833 RESID 241 (M): CB 31.810 31.810 32.371 -0.561 RESID 242 (R): N 121.200 121.200 119.564 1.636 RESID 242 (R): C 177.400 177.400 178.677 -1.277 RESID 242 (R): CA 56.000 56.000 59.066 -3.066 RESID 242 (R): CB 30.910 30.910 29.405 1.505 RESID 243 (V): N 119.700 119.700 120.241 -0.541 RESID 243 (V): C 175.600 175.600 177.612 -2.012 RESID 243 (V): CA 65.470 65.470 66.277 -0.807 RESID 243 (V): CB 29.400 29.400 31.753 -2.353 RESID 244 (I): N 120.900 120.900 121.446 -0.546 RESID 244 (I): C 175.500 175.500 177.862 -2.362 RESID 244 (I): CA 64.600 64.600 66.170 -1.570 RESID 244 (I): CB 36.800 36.800 37.933 -1.133 RESID 245 (F): N 117.200 117.200 119.102 -1.902 RESID 245 (F): C 175.100 175.100 177.253 -2.153 RESID 245 (F): CA 60.200 60.200 61.524 -1.324 RESID 245 (F): CB 39.770 39.770 38.557 1.213 RESID 246 (A): N 122.300 122.300 123.071 -0.771 RESID 246 (A): C 177.700 177.700 179.427 -1.727 RESID 246 (A): CA 53.200 53.200 55.659 -2.459 RESID 246 (A): CB 16.880 16.880 17.961 -1.081 RESID 247 (V): N 121.000 121.000 117.071 3.929 RESID 247 (V): C 175.000 175.000 177.871 -2.871 RESID 247 (V): CA 66.450 66.450 65.956 0.494 RESID 247 (V): CB 29.550 29.550 30.961 -1.411 RESID 248 (V): N 122.300 122.300 120.636 1.664 RESID 248 (V): C 177.200 177.200 178.735 -1.535 RESID 248 (V): CA 64.860 64.860 66.126 -1.266 RESID 248 (V): CB 30.140 30.140 30.445 -0.305 RESID 249 (L): N 119.300 119.300 120.302 -1.002 RESID 249 (L): C 176.400 176.400 179.348 -2.948 RESID 249 (L): CA 56.180 56.180 58.207 -2.027 RESID 249 (L): CB 40.650 40.650 42.100 -1.450 RESID 250 (I): N 121.200 121.200 119.915 1.285 RESID 250 (I): C 176.900 176.900 177.485 -0.585 RESID 250 (I): CA 64.200 64.200 65.225 -1.025 RESID 250 (I): CB 36.700 36.700 38.105 -1.405 RESID 251 (F): N 125.100 125.100 119.581 5.519 RESID 251 (F): C 177.100 177.100 178.399 -1.299 RESID 251 (F): CA 59.800 59.800 61.627 -1.827 RESID 252 (L): N 118.800 118.800 118.327 0.473 RESID 252 (L): C 176.700 176.700 178.693 -1.993 RESID 252 (L): CA 56.000 56.000 56.612 -0.612 RESID 252 (L): CB 40.700 40.700 41.814 -1.114 RESID 253 (L): N 121.800 121.800 121.874 -0.074 RESID 253 (L): C 176.700 176.700 177.790 -1.090 RESID 253 (L): CA 56.220 56.220 58.495 -2.275 RESID 253 (L): CB 40.000 40.000 41.986 -1.986 RESID 254 (C): N 119.800 119.800 114.837 4.963 RESID 254 (C): C 176.800 176.800 176.648 0.152 RESID 254 (C): CA 58.300 58.300 60.272 -1.972 RESID 254 (C): CB 28.040 28.040 28.958 -0.918 RESID 255 (W): N 121.300 121.300 123.539 -2.239 RESID 255 (W): C 178.400 178.400 176.643 1.757 RESID 255 (W): CA 56.940 56.940 58.657 -1.717 RESID 255 (W): CB 29.850 29.850 29.391 0.459 RESID 256 (L): N 124.900 124.900 123.386 1.514 RESID 256 (L): C 177.700 177.700 175.769 1.931 RESID 256 (L): CA 55.840 55.840 60.408 -4.568 RESID 256 (L): CB 40.000 40.000 39.464 0.536 RESID 258 (Y): N 124.900 124.900 120.373 4.527 RESID 258 (Y): C 179.000 179.000 176.827 2.173 RESID 258 (Y): CA 58.330 58.330 61.964 -3.634 RESID 258 (Y): CB 42.070 42.070 38.615 3.455 RESID 259 (N): N 123.000 123.000 117.800 5.200 RESID 259 (N): C 173.000 173.000 177.409 -4.409 RESID 259 (N): CA 53.900 53.900 55.609 -1.709 RESID 259 (N): CB 37.620 37.620 37.521 0.099 RESID 260 (L): N 121.800 121.800 121.813 -0.013 RESID 260 (L): C 175.300 175.300 178.620 -3.320 RESID 260 (L): CA 56.190 56.190 58.436 -2.246 RESID 260 (L): CB 39.060 39.060 41.989 -2.929 RESID 261 (V): N 118.600 118.600 118.571 0.029 RESID 261 (V): C 175.000 175.000 177.501 -2.501 RESID 261 (V): CA 65.200 65.200 66.122 -0.922 RESID 261 (V): CB 29.620 29.620 31.788 -2.168 RESID 262 (L): N 121.800 121.800 120.789 1.011 RESID 262 (L): C 176.600 176.600 178.525 -1.925 RESID 262 (L): CA 56.000 56.000 58.552 -2.552 RESID 262 (L): CB 40.070 40.070 41.473 -1.403 RESID 263 (L): N 123.500 123.500 118.871 4.629 RESID 263 (L): C 176.000 176.000 179.142 -3.142 RESID 263 (L): CA 55.600 55.600 58.188 -2.588 RESID 263 (L): CB 40.620 40.620 41.231 -0.611 RESID 264 (A): N 122.200 122.200 121.379 0.821 RESID 264 (A): C 174.400 174.400 179.082 -4.682 RESID 264 (A): CA 53.300 53.300 55.370 -2.070 RESID 264 (A): CB 15.820 15.820 17.950 -2.130 RESID 265 (D): N 126.500 126.500 118.534 7.966 RESID 265 (D): C 171.600 171.600 179.121 -7.521 RESID 265 (D): CA 56.300 56.300 57.220 -0.920 RESID 266 (T): N 120.700 120.700 116.387 4.313 RESID 266 (T): C 175.300 175.300 176.472 -1.172 RESID 266 (T): CA 60.300 60.300 65.579 -5.279 RESID 267 (L): N 121.600 121.600 119.669 1.931 RESID 267 (L): C 176.100 176.100 176.677 -0.577 RESID 267 (L): CA 55.950 55.950 55.743 0.207 RESID 267 (L): CB 40.130 40.130 42.154 -2.024 RESID 268 (M): N 120.200 120.200 118.161 2.039 RESID 268 (M): C 176.800 176.800 175.929 0.871 RESID 268 (M): CA 58.200 58.200 53.776 4.424 RESID 268 (M): CB 31.900 31.900 31.120 0.780 RESID 269 (R): N 116.700 116.700 119.225 -2.525 RESID 269 (R): C 175.500 175.500 177.718 -2.218 RESID 269 (R): CA 57.000 57.000 58.415 -1.415 RESID 269 (R): CB 29.700 29.700 29.753 -0.053 RESID 270 (T): N 117.100 117.100 104.840 12.260 RESID 270 (T): C 175.700 175.700 174.260 1.440 RESID 270 (T): CA 64.000 64.000 64.497 -0.497 RESID 271 (Q): N 122.800 122.800 121.724 1.076 RESID 271 (Q): C 176.000 176.000 176.521 -0.521 RESID 271 (Q): CA 57.400 57.400 55.787 1.613 RESID 272 (V): N 121.300 121.300 116.310 4.990 RESID 272 (V): C 176.000 176.000 175.440 0.560 RESID 272 (V): CA 63.670 63.670 63.322 0.348 RESID 272 (V): CB 35.310 35.310 30.483 4.827 RESID 273 (I): N 123.300 123.300 122.733 0.567 RESID 273 (I): C 178.300 178.300 175.710 2.590 RESID 273 (I): CA 64.000 64.000 60.477 3.523 RESID 273 (I): CB 36.000 36.000 38.727 -2.727 RESID 274 (Q): N 123.400 123.400 118.589 4.811 RESID 274 (Q): C 176.000 176.000 175.413 0.587 RESID 274 (Q): CA 56.950 56.950 56.366 0.584 RESID 275 (E): N 123.600 123.600 117.679 5.921 RESID 275 (E): C 177.200 177.200 175.670 1.530 RESID 275 (E): CA 55.730 55.730 56.458 -0.728 RESID 275 (E): CB 29.130 29.130 31.037 -1.907 RESID 276 (S): N 116.400 116.400 119.980 -3.580 RESID 276 (S): CA 61.300 61.300 62.362 -1.062 RESID 276 (S): CB 63.340 63.340 63.367 -0.027 RESID 277 (C): N 117.200 117.200 120.780 -3.580 RESID 277 (C): C 175.600 175.600 177.088 -1.488 RESID 277 (C): CA 55.300 55.300 62.349 -7.049 RESID 277 (C): CB 25.240 25.240 26.326 -1.086 RESID 278 (E): N 120.900 120.900 120.202 0.698 RESID 278 (E): C 175.200 175.200 178.695 -3.495 RESID 278 (E): CA 58.200 58.200 59.068 -0.868 RESID 278 (E): CB 28.890 28.890 28.912 -0.022 RESID 279 (R): N 123.000 123.000 120.706 2.294 RESID 279 (R): C 176.600 176.600 178.787 -2.187 RESID 279 (R): CA 56.200 56.200 59.086 -2.886 RESID 279 (R): CB 29.500 29.500 29.971 -0.471 RESID 280 (R): N 124.000 124.000 116.854 7.146 RESID 280 (R): C 176.300 176.300 177.466 -1.166 RESID 280 (R): CA 55.870 55.870 58.009 -2.139 RESID 280 (R): CB 28.250 28.250 29.811 -1.561 RESID 281 (N): N 121.100 121.100 117.771 3.329 RESID 281 (N): C 174.600 174.600 176.732 -2.132 RESID 281 (N): CA 51.880 51.880 55.498 -3.618 RESID 281 (N): CB 37.700 37.700 38.608 -0.908 RESID 282 (N): N 121.600 121.600 118.050 3.550 RESID 282 (N): C 176.600 176.600 177.210 -0.610 RESID 282 (N): CA 55.800 55.800 55.641 0.159 RESID 282 (N): CB 39.000 39.000 38.880 0.120 RESID 283 (I): N 120.800 120.800 117.087 3.713 RESID 283 (I): C 175.200 175.200 176.780 -1.580 RESID 283 (I): CA 64.500 64.500 62.558 1.942 RESID 283 (I): CB 36.600 36.600 37.636 -1.036 RESID 284 (G): N 110.500 110.500 105.092 5.408 RESID 284 (G): C 176.800 176.800 176.219 0.581 RESID 284 (G): CA 41.400 41.400 45.308 -3.908 RESID 286 (A): N 122.800 122.800 122.575 0.225 RESID 286 (A): C 178.500 178.500 179.617 -1.117 RESID 286 (A): CA 53.840 53.840 54.783 -0.943 RESID 286 (A): CB 16.630 16.630 18.335 -1.705 RESID 287 (L): N 125.500 125.500 118.385 7.115 RESID 287 (L): C 175.800 175.800 178.423 -2.623 RESID 287 (L): CA 56.150 56.150 57.553 -1.403 RESID 287 (L): CB 40.200 40.200 40.973 -0.773 RESID 288 (D): N 116.800 116.800 117.921 -1.121 RESID 288 (D): C 176.500 176.500 177.569 -1.069 RESID 288 (D): CA 56.250 56.250 56.980 -0.730 RESID 289 (A): N 124.600 124.600 120.646 3.954 RESID 289 (A): C 177.500 177.500 178.858 -1.358 RESID 289 (A): CA 53.250 53.250 54.987 -1.737 RESID 289 (A): CB 16.900 16.900 18.273 -1.373 RESID 290 (T): N 114.900 114.900 111.208 3.692 RESID 290 (T): C 177.000 177.000 176.075 0.925 RESID 290 (T): CA 64.100 64.100 64.896 -0.796 RESID 291 (E): N 120.800 120.800 121.998 -1.198 RESID 291 (E): C 177.000 177.000 178.549 -1.549 RESID 291 (E): CA 57.500 57.500 59.283 -1.783 RESID 291 (E): CB 29.700 29.700 29.611 0.089 RESID 292 (I): N 121.300 121.300 116.852 4.448 RESID 292 (I): C 176.000 176.000 177.825 -1.825 RESID 292 (I): CA 64.300 64.300 64.656 -0.356 RESID 292 (I): CB 36.640 36.640 37.442 -0.802 RESID 293 (L): N 122.700 122.700 119.952 2.748 RESID 293 (L): C 175.100 175.100 179.300 -4.200 RESID 293 (L): CA 55.600 55.600 56.936 -1.336 RESID 293 (L): CB 39.440 39.440 40.266 -0.826 RESID 294 (G): N 108.500 108.500 107.778 0.722 RESID 294 (G): C 173.800 173.800 176.034 -2.234 RESID 294 (G): CA 45.030 45.030 46.964 -1.934 RESID 295 (F): N 121.600 121.600 121.931 -0.331 RESID 295 (F): C 177.500 177.500 176.469 1.031 RESID 295 (F): CA 58.500 58.500 57.172 1.329 RESID 296 (L): N 120.900 120.900 121.231 -0.331 RESID 296 (L): C 175.300 175.300 177.895 -2.595 RESID 296 (L): CA 55.900 55.900 56.346 -0.446 RESID 296 (L): CB 40.000 40.000 41.011 -1.011 RESID 297 (H): N 120.600 120.600 114.813 5.787 RESID 297 (H): C 176.600 176.600 175.796 0.804 RESID 297 (H): CA 57.700 57.700 56.392 1.308 RESID 297 (H): CB 30.130 30.130 29.002 1.129 RESID 298 (S): N 122.500 122.500 113.265 9.235 RESID 298 (S): C 177.700 177.700 174.409 3.291 RESID 298 (S): CA 62.580 62.580 58.129 4.451 RESID 298 (S): CB 64.530 64.530 64.656 -0.126 RESID 299 (C): N 121.600 121.600 118.037 3.563 RESID 299 (C): C 177.300 177.300 175.399 1.901 RESID 299 (C): CA 59.200 59.200 59.332 -0.132 RESID 299 (C): CB 27.360 27.360 30.005 -2.644 RESID 300 (L): N 121.300 121.300 121.860 -0.560 RESID 300 (L): C 179.000 179.000 177.700 1.300 RESID 300 (L): CA 54.960 54.960 57.879 -2.919 RESID 300 (L): CB 40.740 40.740 41.722 -0.982 RESID 301 (N): N 119.000 119.000 119.315 -0.315 RESID 301 (N): C 176.600 176.600 174.059 2.541 RESID 301 (N): CA 53.300 53.300 57.762 -4.462 RESID 301 (N): CB 36.760 36.760 36.522 0.238 RESID 302 (P): CA 58.860 58.860 65.698 -6.838 RESID 303 (I): N 120.900 120.900 119.031 1.869 RESID 303 (I): C 173.700 173.700 177.995 -4.295 RESID 303 (I): CA 66.500 66.500 65.174 1.325 RESID 303 (I): CB 36.650 36.650 38.252 -1.602 RESID 304 (I): N 120.400 120.400 120.257 0.143 RESID 304 (I): C 175.900 175.900 177.949 -2.049 RESID 304 (I): CA 65.800 65.800 65.234 0.566 RESID 304 (I): CB 36.330 36.330 37.984 -1.654 RESID 305 (Y): N 120.300 120.300 119.266 1.034 RESID 305 (Y): C 174.800 174.800 177.475 -2.675 RESID 305 (Y): CA 56.700 56.700 61.000 -4.300 RESID 305 (Y): CB 37.900 37.900 37.370 0.530 RESID 306 (A): N 123.300 123.300 121.334 1.966 RESID 306 (A): C 172.000 172.000 179.190 -7.190 RESID 306 (A): CA 54.350 54.350 54.577 -0.227 RESID 306 (A): CB 16.400 16.400 18.236 -1.836 RESID 307 (F): N 120.400 120.400 117.631 2.769 RESID 307 (F): C 175.900 175.900 177.096 -1.196 RESID 307 (F): CA 60.250 60.250 61.710 -1.460 RESID 307 (F): CB 40.200 40.200 39.056 1.144 RESID 308 (I): N 120.700 120.700 115.828 4.872 RESID 308 (I): C 177.200 177.200 177.329 -0.129 RESID 308 (I): CA 64.550 64.550 63.294 1.256 RESID 308 (I): CB 36.600 36.600 38.097 -1.497 RESID 309 (G): N 111.300 111.300 106.849 4.451 RESID 309 (G): C 174.000 174.000 173.675 0.325 RESID 309 (G): CA 41.600 41.600 45.184 -3.584 RESID 310 (Q): N 119.400 119.400 116.766 2.634 RESID 310 (Q): C 176.200 176.200 176.897 -0.697 RESID 310 (Q): CA 57.800 57.800 56.494 1.306 RESID 310 (Q): CB 31.900 31.900 30.508 1.392 RESID 311 (N): N 120.100 120.100 118.760 1.340 RESID 311 (N): C 175.600 175.600 176.733 -1.133 RESID 311 (N): CA 55.500 55.500 55.573 -0.073 RESID 311 (N): CB 38.800 38.800 38.407 0.392 RESID 312 (F): N 120.700 120.700 118.524 2.176 RESID 312 (F): C 175.400 175.400 177.415 -2.015 RESID 312 (F): CA 58.300 58.300 60.977 -2.677 RESID 312 (F): CB 36.800 36.800 38.625 -1.825 RESID 313 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-1.743 -1.532 ----- RESID 90 (L): 1.121 ----- -5.334 -1.228 -1.889 ----- RESID 91 (T): 5.405 ----- 0.189 -3.582 0.467 ----- RESID 92 (L): -0.933 ----- 0.135 -4.377 1.227 ----- RESID 94 (I): 5.145 ----- -1.200 -0.666 -1.005 ----- RESID 95 (W): -1.732 ----- -1.011 -2.073 0.101 ----- RESID 96 (A): 5.406 ----- -0.780 -2.147 2.624 ----- RESID 97 (A): 2.833 ----- -1.569 -1.151 -1.429 ----- RESID 98 (S): -2.595 ----- ----- 2.716 ----- ----- RESID 99 (K): 0.742 ----- -1.038 -1.850 -2.248 ----- RESID 100 (V): 1.176 ----- -1.272 -0.565 -2.182 ----- RESID 101 (N): 0.312 ----- -3.158 -2.127 0.615 ----- RESID 102 (G): 2.494 ----- 1.125 1.018 ----- ----- RESID 103 (W): -1.307 ----- -0.913 1.710 -0.756 ----- RESID 104 (I): 9.092 ----- 1.038 0.179 -5.150 ----- RESID 105 (F): 2.640 ----- 2.474 -2.074 0.684 ----- RESID 106 (G): -3.748 ----- 1.138 -2.785 ----- ----- RESID 107 (T): -0.575 ----- -1.291 -1.178 0.501 ----- RESID 108 (F): 1.194 ----- -3.601 -1.691 -1.155 ----- RESID 109 (L): 4.296 ----- -2.234 -3.061 0.959 ----- RESID 110 (C): -0.015 ----- -0.635 -6.023 13.450 ----- RESID 111 (K): 1.942 ----- -0.457 -1.682 -1.894 ----- RESID 112 (V): 7.574 ----- -3.455 3.586 ----- ----- RESID 113 (V): 8.513 ----- -7.893 1.740 ----- ----- RESID 114 (S): 2.518 ----- -0.818 -0.462 -0.324 ----- RESID 115 (L): -3.660 ----- -4.656 -1.774 -1.350 ----- RESID 116 (L): 8.755 ----- -0.430 -2.007 -0.916 ----- RESID 117 (K): 0.586 ----- -5.091 -2.772 -2.197 ----- RESID 118 (E): 1.418 ----- -1.837 -3.668 -0.849 ----- RESID 119 (V): 6.552 ----- -3.915 -0.588 -2.289 ----- RESID 120 (N): 1.901 ----- -3.250 -0.721 0.333 ----- RESID 121 (F): 4.365 ----- -2.737 0.740 -1.349 ----- RESID 122 (Y): 2.464 ----- -1.896 0.430 -0.375 ----- RESID 123 (S): 7.918 ----- -2.711 -4.300 -2.927 ----- RESID 124 (G): -2.606 ----- -5.013 -4.667 ----- ----- RESID 125 (I): -3.485 ----- -2.713 -1.069 -1.294 ----- RESID 126 (L): 2.928 ----- -5.844 -1.310 ----- ----- RESID 127 (L): 5.036 ----- -2.492 -3.027 -0.213 ----- RESID 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----- RESID 147 (T): 7.179 ----- 3.669 0.543 -7.416 ----- RESID 148 (Q): 0.689 ----- -0.218 -3.038 -0.392 ----- RESID 149 (K): -1.767 ----- -2.640 0.085 ----- ----- RESID 150 (R): 3.398 ----- -1.076 -2.857 1.959 ----- RESID 151 (H): -0.050 ----- 0.309 -0.759 0.156 ----- RESID 152 (L): 0.737 ----- -1.546 -1.913 -1.982 ----- RESID 153 (V): 5.423 ----- -3.208 -5.199 ----- ----- RESID 154 (K): -4.335 ----- -2.748 -0.792 ----- ----- RESID 155 (F): 0.649 ----- -0.570 0.126 ----- ----- RESID 156 (V): 3.692 ----- 0.109 -3.469 2.849 ----- RESID 157 (C): ----- ----- ----- -5.793 ----- ----- RESID 158 (L): 1.901 ----- -3.102 -2.878 ----- ----- RESID 159 (G): -1.225 ----- 0.029 -2.292 ----- ----- RESID 160 (C): -4.278 ----- 4.174 -4.356 2.455 ----- RESID 161 (W): -2.364 ----- -3.711 -4.966 ----- ----- RESID 162 (G): 2.101 ----- -2.221 -2.338 ----- ----- RESID 163 (L): -1.430 ----- -5.087 -1.252 -2.021 ----- RESID 164 (S): 1.466 ----- -1.828 -6.052 2.778 ----- RESID 165 (M): -0.161 ----- -2.190 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-2.464 12.080 ----- RESID 188 (Y): -1.194 ----- 2.529 0.908 -0.458 ----- RESID 189 (E): 2.747 ----- -0.588 1.827 2.052 ----- RESID 190 (V): 5.749 ----- -4.112 2.770 -3.212 ----- RESID 191 (L): 5.683 ----- ----- -1.257 ----- ----- RESID 192 (G): 6.018 ----- 0.517 0.596 ----- ----- RESID 193 (N): 0.075 ----- ----- -2.106 1.092 ----- RESID 194 (D): 6.444 ----- -3.836 -0.631 0.225 ----- RESID 195 (T): 6.037 ----- -0.214 -1.878 ----- ----- RESID 196 (A): -0.175 ----- -5.223 -0.568 -1.514 ----- RESID 197 (K): 7.665 ----- -0.181 2.615 -3.300 ----- RESID 198 (W): 2.529 ----- 0.815 2.060 3.956 ----- RESID 199 (R): 3.305 ----- 0.264 -2.850 1.359 ----- RESID 200 (M): -0.579 ----- -2.504 -0.417 -1.175 ----- RESID 201 (V): 6.256 ----- -2.533 0.178 -1.654 ----- RESID 202 (L): 3.423 ----- -6.099 -3.477 ----- ----- RESID 203 (R): 6.251 ----- -2.881 -3.466 1.415 ----- RESID 204 (I): 1.257 ----- -2.104 2.127 -0.748 ----- RESID 205 (L): 1.689 ----- 0.192 -5.365 ----- ----- RESID 206 (P): ----- ----- ----- -3.503 ----- ----- RESID 207 (H): -3.486 ----- -2.246 -6.370 -0.644 ----- RESID 208 (T): 7.296 ----- 1.855 -3.134 ----- ----- RESID 209 (F): -3.716 ----- -1.302 0.514 ----- ----- RESID 210 (G): 4.521 ----- 0.474 -0.787 ----- ----- RESID 211 (F): 0.219 ----- -1.757 -2.951 ----- ----- RESID 212 (I): -0.172 ----- -1.996 -0.012 -0.120 ----- RESID 213 (V): 3.183 ----- 0.322 -3.131 0.644 ----- RESID 215 (L): 5.250 ----- -0.960 -2.227 -1.177 ----- RESID 216 (F): 4.924 ----- 1.692 -0.328 -1.657 ----- RESID 217 (V): -2.043 ----- -2.200 0.108 -1.121 ----- RESID 218 (M): -0.271 ----- -4.031 -3.755 0.500 ----- RESID 219 (L): 2.147 ----- -1.483 -2.184 -0.069 ----- RESID 220 (F): 4.357 ----- -1.461 -0.200 ----- ----- RESID 221 (C): 0.145 ----- -1.290 -0.265 ----- ----- RESID 222 (Y): -1.071 ----- -0.480 -1.890 0.097 ----- RESID 223 (G): 3.704 ----- -1.208 -5.329 ----- ----- RESID 224 (F): 0.145 ----- -2.182 1.380 -2.174 ----- RESID 225 (T): 2.984 ----- -1.903 -1.650 ----- ----- RESID 226 (L): 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RESID 245 (F): -1.902 ----- -2.153 -1.324 1.213 ----- RESID 246 (A): -0.771 ----- -1.727 -2.459 -1.081 ----- RESID 247 (V): 3.929 ----- -2.871 0.494 -1.411 ----- RESID 248 (V): 1.664 ----- -1.535 -1.266 -0.305 ----- RESID 249 (L): -1.002 ----- -2.948 -2.027 -1.450 ----- RESID 250 (I): 1.285 ----- -0.585 -1.025 -1.405 ----- RESID 251 (F): 5.519 ----- -1.299 -1.827 ----- ----- RESID 252 (L): 0.473 ----- -1.993 -0.612 -1.114 ----- RESID 253 (L): -0.074 ----- -1.090 -2.275 -1.986 ----- RESID 254 (C): 4.963 ----- 0.152 -1.972 -0.918 ----- RESID 255 (W): -2.239 ----- 1.757 -1.717 0.459 ----- RESID 256 (L): 1.514 ----- 1.931 -4.568 0.536 ----- RESID 258 (Y): 4.527 ----- 2.173 -3.634 3.455 ----- RESID 259 (N): 5.200 ----- -4.409 -1.709 0.099 ----- RESID 260 (L): -0.013 ----- -3.320 -2.246 -2.929 ----- RESID 261 (V): 0.029 ----- -2.501 -0.922 -2.168 ----- RESID 262 (L): 1.011 ----- -1.925 -2.552 -1.403 ----- RESID 263 (L): 4.629 ----- -3.142 -2.588 -0.611 ----- RESID 264 (A): 0.821 ----- -4.682 -2.070 -2.130 ----- RESID 265 (D): 7.966 ----- -7.521 -0.920 ----- ----- RESID 266 (T): 4.313 ----- -1.172 -5.279 ----- ----- RESID 267 (L): 1.931 ----- -0.577 0.207 -2.024 ----- RESID 268 (M): 2.039 ----- 0.871 4.424 0.780 ----- RESID 269 (R): -2.525 ----- -2.218 -1.415 -0.053 ----- RESID 270 (T): 12.260 ----- 1.440 -0.497 ----- ----- RESID 271 (Q): 1.076 ----- -0.521 1.613 ----- ----- RESID 272 (V): 4.990 ----- 0.560 0.348 4.827 ----- RESID 273 (I): 0.567 ----- 2.590 3.523 -2.727 ----- RESID 274 (Q): 4.811 ----- 0.587 0.584 ----- ----- RESID 275 (E): 5.921 ----- 1.530 -0.728 -1.907 ----- RESID 276 (S): -3.580 ----- ----- -1.062 -0.027 ----- RESID 277 (C): -3.580 ----- -1.488 -7.049 -1.086 ----- RESID 278 (E): 0.698 ----- -3.495 -0.868 -0.022 ----- RESID 279 (R): 2.294 ----- -2.187 -2.886 -0.471 ----- RESID 280 (R): 7.146 ----- -1.166 -2.139 -1.561 ----- RESID 281 (N): 3.329 ----- -2.132 -3.618 -0.908 ----- RESID 282 (N): 3.550 ----- -0.610 0.159 0.120 ----- RESID 283 (I): 3.713 ----- -1.580 1.942 -1.036 ----- RESID 284 (G): 5.408 ----- 0.581 -3.908 ----- ----- RESID 286 (A): 0.225 ----- -1.117 -0.943 -1.705 ----- RESID 287 (L): 7.115 ----- -2.623 -1.403 -0.773 ----- RESID 288 (D): -1.121 ----- -1.069 -0.730 ----- ----- RESID 289 (A): 3.954 ----- -1.358 -1.737 -1.373 ----- RESID 290 (T): 3.692 ----- 0.925 -0.796 ----- ----- RESID 291 (E): -1.198 ----- -1.549 -1.783 0.089 ----- RESID 292 (I): 4.448 ----- -1.825 -0.356 -0.802 ----- RESID 293 (L): 2.748 ----- -4.200 -1.336 -0.826 ----- RESID 294 (G): 0.722 ----- -2.234 -1.934 ----- ----- RESID 295 (F): -0.331 ----- 1.031 1.329 ----- ----- RESID 296 (L): -0.331 ----- -2.595 -0.446 -1.011 ----- RESID 297 (H): 5.787 ----- 0.804 1.308 1.129 ----- RESID 298 (S): 9.235 ----- 3.291 4.451 -0.126 ----- RESID 299 (C): 3.563 ----- 1.901 -0.132 -2.644 ----- RESID 300 (L): -0.560 ----- 1.300 -2.919 -0.982 ----- RESID 301 (N): -0.315 ----- 2.541 -4.462 0.238 ----- RESID 302 (P): ----- ----- ----- -6.838 ----- ----- RESID 303 (I): 1.869 ----- -4.295 1.325 -1.602 ----- RESID 304 (I): 0.143 ----- -2.049 0.566 -1.654 ----- RESID 305 (Y): 1.034 ----- -2.675 -4.300 0.530 ----- RESID 306 (A): 1.966 ----- -7.190 -0.227 -1.836 ----- RESID 307 (F): 2.769 ----- -1.196 -1.460 1.144 ----- RESID 308 (I): 4.872 ----- -0.129 1.256 -1.497 ----- RESID 309 (G): 4.451 ----- 0.325 -3.584 ----- ----- RESID 310 (Q): 2.634 ----- -0.697 1.306 1.392 ----- RESID 311 (N): 1.340 ----- -1.133 -0.073 0.392 ----- RESID 312 (F): 2.176 ----- -2.015 -2.677 -1.825 ----- RESID 313 (R): 2.258 ----- -3.639 -3.679 -0.645 ----- RESID 314 (H): 6.385 ----- -1.164 0.780 0.449 ----- RESID 315 (G): 0.885 ----- -1.549 0.501 ----- ----- RESID 316 (F): 3.035 ----- -0.898 -2.772 ----- ----- RESID 317 (L): 1.954 ----- -1.350 -1.723 -1.847 ----- RESID 318 (K): 2.284 ----- -1.477 -3.483 -2.115 ----- RESID 319 (I): 2.927 ----- -1.952 0.971 -1.436 ----- RESID 320 (L): 4.303 ----- -1.253 -1.324 0.164 ----- RESID 321 (A): 1.673 ----- -2.137 0.569 -1.094 ----- RESID 322 (M): 5.559 ----- -4.297 1.093 ----- ----- RESID 323 (H): 3.374 ----- -2.386 -1.688 0.447 ----- DATA CS_STAT_INFO N RMS: 3.820 ppm Count: 283 Average Difference: -1.979 +/- 3.273 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 2.595 ppm Count: 278 Average Difference: 1.325 +/- 2.235 ppm DATA CS_STAT_INFO CA RMS: 2.433 ppm Count: 287 Average Difference: 1.086 +/- 2.181 ppm DATA CS_STAT_INFO CB RMS: 2.532 ppm Count: 226 Average Difference: 0.555 +/- 2.476 ppm DATA CS_STAT_INFO HN RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm ############################################################################ For conformer 7: Atom Original Corrected SPARTA Difference RESID 30 (C): N 122.700 122.700 120.997 1.703 RESID 30 (C): C 177.500 177.500 175.931 1.569 RESID 30 (C): CA 56.000 56.000 58.502 -2.502 RESID 30 (C): CB 40.300 40.300 27.178 13.122 RESID 31 (M): N 117.900 117.900 116.715 1.185 RESID 31 (M): C 173.200 173.200 175.505 -2.305 RESID 31 (M): CA 58.150 58.150 56.234 1.916 RESID 31 (M): CB 31.100 31.100 30.524 0.576 RESID 32 (L): N 125.300 125.300 119.404 5.896 RESID 32 (L): C 173.500 173.500 178.018 -4.518 RESID 32 (L): CA 53.780 53.780 56.613 -2.833 RESID 32 (L): CB 39.660 39.660 41.891 -2.231 RESID 33 (E): N 129.900 129.900 117.858 12.042 RESID 33 (E): C 173.200 173.200 176.178 -2.978 RESID 33 (E): CA 55.900 55.900 56.459 -0.559 RESID 33 (E): CB 31.000 31.000 30.339 0.661 RESID 34 (T): N 113.900 113.900 114.592 -0.692 RESID 34 (T): C 172.500 172.500 175.344 -2.844 RESID 34 (T): CA 63.500 63.500 61.437 2.063 RESID 34 (T): CB 67.200 67.200 69.971 -2.771 RESID 35 (E): N 125.300 125.300 124.515 0.785 RESID 35 (E): C 169.500 169.500 177.748 -8.248 RESID 35 (E): CA 55.840 55.840 58.671 -2.831 RESID 35 (E): CB 28.120 28.120 29.843 -1.723 RESID 36 (T): N 106.700 106.700 114.265 -7.565 RESID 36 (T): C 174.200 174.200 173.867 0.333 RESID 36 (T): CA 65.000 65.000 64.372 0.628 RESID 37 (L): N 120.100 120.100 114.717 5.383 RESID 37 (L): C 177.500 177.500 176.917 0.583 RESID 37 (L): CA 56.400 56.400 54.870 1.530 RESID 37 (L): CB 39.800 39.800 39.659 0.141 RESID 38 (N): N 118.400 118.400 117.749 0.651 RESID 38 (N): C 177.600 177.600 176.880 0.720 RESID 38 (N): CA 55.900 55.900 56.066 -0.166 RESID 38 (N): CB 40.870 40.870 38.476 2.394 RESID 39 (K): N 121.500 121.500 120.212 1.288 RESID 39 (K): C 174.300 174.300 178.341 -4.041 RESID 39 (K): CA 56.700 56.700 59.281 -2.581 RESID 39 (K): CB 29.900 29.900 32.161 -2.261 RESID 40 (Y): N 120.100 120.100 119.041 1.059 RESID 40 (Y): C 176.800 176.800 177.474 -0.674 RESID 40 (Y): CA 58.200 58.200 59.916 -1.716 RESID 40 (Y): CB 40.000 40.000 38.022 1.978 RESID 41 (V): N 120.700 120.700 118.424 2.276 RESID 41 (V): C 176.000 176.000 177.052 -1.052 RESID 41 (V): CA 65.000 65.000 66.277 -1.277 RESID 41 (V): CB 29.750 29.750 31.466 -1.716 RESID 42 (V): N 121.200 121.200 121.168 0.032 RESID 42 (V): C 176.200 176.200 178.287 -2.087 RESID 42 (V): CA 65.560 65.560 66.670 -1.110 RESID 42 (V): CB 29.700 29.700 31.096 -1.396 RESID 43 (I): N 120.900 120.900 119.366 1.534 RESID 43 (I): C 177.000 177.000 177.900 -0.900 RESID 43 (I): CA 64.300 64.300 64.506 -0.206 RESID 43 (I): CB 36.600 36.600 36.901 -0.301 RESID 44 (I): N 120.500 120.500 120.600 -0.100 RESID 44 (I): C 175.000 175.000 177.445 -2.445 RESID 44 (I): CA 59.700 59.700 65.649 -5.949 RESID 44 (I): CB 37.000 37.000 37.079 -0.079 RESID 45 (A): N 121.600 121.600 122.250 -0.650 RESID 45 (A): C 175.700 175.700 179.478 -3.778 RESID 45 (A): CA 52.700 52.700 55.289 -2.589 RESID 45 (A): CB 16.600 16.600 17.767 -1.167 RESID 46 (Y): N 120.400 120.400 119.439 0.961 RESID 46 (Y): C 175.400 175.400 177.803 -2.403 RESID 46 (Y): CA 58.530 58.530 61.668 -3.138 RESID 46 (Y): CB 39.850 39.850 37.874 1.976 RESID 47 (A): N 124.700 124.700 122.509 2.191 RESID 47 (A): C 174.800 174.800 179.496 -4.696 RESID 47 (A): CA 53.800 53.800 55.440 -1.640 RESID 47 (A): CB 15.530 15.530 18.276 -2.745 RESID 48 (L): N 117.700 117.700 118.630 -0.930 RESID 48 (L): C 177.400 177.400 179.245 -1.845 RESID 48 (L): CA 56.860 56.860 58.007 -1.147 RESID 49 (V): N 118.400 118.400 120.783 -2.383 RESID 49 (V): C 181.100 181.100 178.797 2.303 RESID 49 (V): CA 67.800 67.800 66.814 0.986 RESID 49 (V): CB 29.900 29.900 31.397 -1.497 RESID 50 (F): N 124.700 124.700 119.049 5.651 RESID 50 (F): C 171.900 171.900 178.012 -6.112 RESID 50 (F): CA 61.600 61.600 60.532 1.068 RESID 50 (F): CB 42.620 42.620 38.728 3.892 RESID 51 (L): N 125.600 125.600 122.721 2.879 RESID 51 (L): C 176.600 176.600 178.444 -1.844 RESID 51 (L): CA 55.850 55.850 58.049 -2.199 RESID 51 (L): CB 40.220 40.220 42.030 -1.810 RESID 52 (L): N 122.800 122.800 117.085 5.715 RESID 52 (L): C 173.700 173.700 178.582 -4.882 RESID 52 (L): CA 56.300 56.300 58.730 -2.430 RESID 52 (L): CB 39.200 39.200 40.858 -1.658 RESID 53 (S): N 118.700 118.700 114.863 3.837 RESID 53 (S): C 173.000 173.000 176.681 -3.681 RESID 53 (S): CA 58.200 58.200 60.672 -2.472 RESID 54 (L): N 123.500 123.500 123.892 -0.392 RESID 54 (L): C 176.800 176.800 178.236 -1.436 RESID 54 (L): CA 56.400 56.400 58.017 -1.617 RESID 54 (L): CB 40.000 40.000 41.866 -1.866 RESID 55 (L): N 124.600 124.600 115.989 8.611 RESID 55 (L): C 177.200 177.200 178.798 -1.598 RESID 55 (L): CA 56.000 56.000 57.661 -1.661 RESID 55 (L): CB 40.000 40.000 40.911 -0.911 RESID 56 (G): N 109.600 109.600 107.156 2.444 RESID 56 (G): C 174.800 174.800 175.658 -0.858 RESID 56 (G): CA 47.400 47.400 46.792 0.608 RESID 57 (N): N 118.200 118.200 120.305 -2.105 RESID 57 (N): C 176.900 176.900 177.245 -0.345 RESID 57 (N): CA 55.700 55.700 56.692 -0.992 RESID 57 (N): CB 39.300 39.300 38.100 1.200 RESID 58 (S): N 111.300 111.300 116.693 -5.393 RESID 58 (S): C 180.100 180.100 176.701 3.399 RESID 58 (S): CA 59.900 59.900 61.723 -1.823 RESID 58 (S): CB 63.300 63.300 62.709 0.591 RESID 59 (L): N 121.100 121.100 121.956 -0.856 RESID 59 (L): C 177.400 177.400 178.639 -1.239 RESID 59 (L): CA 56.150 56.150 57.516 -1.366 RESID 59 (L): CB 41.000 41.000 40.802 0.198 RESID 60 (V): N 119.300 119.300 120.459 -1.159 RESID 60 (V): C 175.200 175.200 178.453 -3.253 RESID 60 (V): CA 65.400 65.400 66.610 -1.210 RESID 60 (V): CB 29.500 29.500 31.380 -1.879 RESID 61 (M): N 118.900 118.900 120.060 -1.160 RESID 61 (M): C 176.500 176.500 178.342 -1.842 RESID 61 (M): CA 55.840 55.840 58.838 -2.998 RESID 62 (L): N 122.100 122.100 119.354 2.746 RESID 62 (L): C 177.700 177.700 179.198 -1.498 RESID 62 (L): CA 56.160 56.160 57.672 -1.512 RESID 62 (L): CB 39.110 39.110 41.695 -2.585 RESID 63 (V): N 121.100 121.100 120.063 1.037 RESID 63 (V): CA 64.850 64.850 66.374 -1.524 RESID 63 (V): CB 29.600 29.600 31.075 -1.475 RESID 64 (I): N 121.000 121.000 117.855 3.145 RESID 64 (I): C 175.100 175.100 179.468 -4.368 RESID 64 (I): CA 64.400 64.400 62.751 1.649 RESID 64 (I): CB 36.600 36.600 36.447 0.153 RESID 65 (L): N 119.000 119.000 122.210 -3.210 RESID 65 (L): C 173.800 173.800 178.578 -4.778 RESID 65 (L): CA 56.200 56.200 58.321 -2.121 RESID 65 (L): CB 39.300 39.300 42.225 -2.925 RESID 66 (Y): N 120.200 120.200 116.952 3.248 RESID 66 (Y): C 176.700 176.700 174.676 2.024 RESID 66 (Y): CA 58.340 58.340 57.477 0.863 RESID 66 (Y): CB 40.000 40.000 38.801 1.199 RESID 67 (S): N 116.700 116.700 116.394 0.306 RESID 67 (S): C 175.400 175.400 175.771 -0.371 RESID 67 (S): CA 60.000 60.000 57.145 2.855 RESID 67 (S): CB 62.000 62.000 64.183 -2.183 RESID 68 (R): N 121.500 121.500 127.976 -6.476 RESID 68 (R): C 175.300 175.300 177.342 -2.042 RESID 68 (R): CA 60.400 60.400 58.927 1.473 RESID 69 (V): N 120.600 120.600 114.178 6.422 RESID 69 (V): C 174.600 174.600 175.778 -1.178 RESID 69 (V): CA 65.800 65.800 62.487 3.313 RESID 69 (V): CB 29.850 29.850 31.362 -1.512 RESID 70 (G): N 110.700 110.700 106.801 3.899 RESID 70 (G): C 174.400 174.400 173.943 0.457 RESID 70 (G): CA 41.700 41.700 44.271 -2.571 RESID 71 (R): N 122.900 122.900 122.049 0.851 RESID 71 (R): C 176.500 176.500 175.237 1.263 RESID 71 (R): CA 56.800 56.800 54.521 2.279 RESID 71 (R): CB 29.900 29.900 28.903 0.997 RESID 72 (S): N 117.300 117.300 115.694 1.606 RESID 72 (S): C 174.300 174.300 175.315 -1.015 RESID 72 (S): CA 57.800 57.800 56.666 1.134 RESID 73 (V): N 120.400 120.400 119.238 1.162 RESID 73 (V): C 175.700 175.700 177.230 -1.530 RESID 73 (V): CA 66.100 66.100 64.977 1.123 RESID 73 (V): CB 29.650 29.650 31.665 -2.015 RESID 74 (T): N 117.300 117.300 111.459 5.841 RESID 74 (T): C 175.800 175.800 175.492 0.308 RESID 74 (T): CA 64.000 64.000 64.438 -0.438 RESID 75 (D): N 122.900 122.900 123.556 -0.656 RESID 75 (D): C 176.500 176.500 177.820 -1.320 RESID 75 (D): CA 56.000 56.000 57.773 -1.773 RESID 75 (D): CB 40.300 40.300 40.668 -0.368 RESID 76 (V): N 120.800 120.800 118.973 1.827 RESID 76 (V): C 175.600 175.600 176.861 -1.261 RESID 76 (V): CA 66.400 66.400 66.008 0.392 RESID 76 (V): CB 30.400 30.400 31.571 -1.171 RESID 77 (Y): N 123.800 123.800 119.775 4.025 RESID 77 (Y): C 175.700 175.700 177.779 -2.079 RESID 77 (Y): CA 60.560 60.560 62.067 -1.507 RESID 77 (Y): CB 37.000 37.000 38.389 -1.389 RESID 78 (L): N 121.000 121.000 119.426 1.574 RESID 78 (L): C 176.500 176.500 178.640 -2.140 RESID 78 (L): CA 55.900 55.900 57.527 -1.627 RESID 78 (L): CB 40.000 40.000 40.867 -0.867 RESID 79 (L): N 126.200 126.200 120.302 5.898 RESID 79 (L): C 176.000 176.000 178.577 -2.577 RESID 79 (L): CA 55.800 55.800 58.354 -2.554 RESID 79 (L): CB 40.240 40.240 40.969 -0.729 RESID 80 (N): N 121.300 121.300 117.248 4.052 RESID 80 (N): C 178.100 178.100 177.493 0.607 RESID 80 (N): CA 56.500 56.500 56.134 0.366 RESID 80 (N): CB 39.100 39.100 38.327 0.773 RESID 81 (L): N 124.100 124.100 121.265 2.835 RESID 81 (L): C 176.300 176.300 178.184 -1.884 RESID 81 (L): CA 56.000 56.000 57.851 -1.851 RESID 81 (L): CB 38.100 38.100 41.561 -3.461 RESID 82 (A): N 124.700 124.700 122.056 2.644 RESID 82 (A): C 177.500 177.500 180.038 -2.538 RESID 82 (A): CA 53.400 53.400 54.984 -1.584 RESID 82 (A): CB 18.300 18.300 18.319 -0.019 RESID 83 (L): N 121.400 121.400 119.052 2.348 RESID 83 (L): C 176.500 176.500 179.163 -2.663 RESID 83 (L): CA 55.900 55.900 57.723 -1.823 RESID 83 (L): CB 40.200 40.200 41.402 -1.202 RESID 84 (A): N 123.900 123.900 121.769 2.131 RESID 84 (A): C 176.600 176.600 179.466 -2.866 RESID 84 (A): CA 54.400 54.400 55.395 -0.995 RESID 84 (A): CB 16.600 16.600 17.901 -1.302 RESID 85 (D): N 120.300 120.300 119.401 0.899 RESID 85 (D): C 178.400 178.400 178.510 -0.110 RESID 85 (D): CA 56.330 56.330 56.874 -0.544 RESID 85 (D): CB 39.850 39.850 40.946 -1.096 RESID 86 (L): N 122.700 122.700 121.190 1.510 RESID 86 (L): C 173.600 173.600 179.125 -5.525 RESID 86 (L): CA 56.300 56.300 58.181 -1.881 RESID 86 (L): CB 39.500 39.500 41.395 -1.895 RESID 87 (L): N 122.000 122.000 118.834 3.166 RESID 87 (L): C 175.600 175.600 178.707 -3.107 RESID 87 (L): CA 56.150 56.150 58.288 -2.139 RESID 87 (L): CB 40.000 40.000 41.787 -1.787 RESID 88 (F): N 119.200 119.200 118.595 0.605 RESID 88 (F): C 173.900 173.900 177.304 -3.404 RESID 88 (F): CA 55.900 55.900 60.861 -4.961 RESID 88 (F): CB 40.400 40.400 39.283 1.117 RESID 89 (A): N 126.600 126.600 120.989 5.611 RESID 89 (A): C 172.900 172.900 179.859 -6.959 RESID 89 (A): CA 53.100 53.100 54.749 -1.649 RESID 89 (A): CB 17.000 17.000 18.283 -1.283 RESID 90 (L): N 119.700 119.700 118.343 1.357 RESID 90 (L): C 172.500 172.500 177.696 -5.196 RESID 90 (L): CA 56.500 56.500 57.704 -1.204 RESID 90 (L): CB 39.900 39.900 41.771 -1.871 RESID 91 (T): N 115.300 115.300 113.075 2.225 RESID 91 (T): C 176.400 176.400 175.608 0.792 RESID 91 (T): CA 60.000 60.000 64.966 -4.965 RESID 91 (T): CB 69.500 69.500 68.583 0.917 RESID 92 (L): N 123.000 123.000 123.340 -0.340 RESID 92 (L): C 175.400 175.400 175.895 -0.495 RESID 92 (L): CA 55.600 55.600 60.692 -5.092 RESID 92 (L): CB 40.800 40.800 39.202 1.598 RESID 94 (I): N 121.000 121.000 115.513 5.487 RESID 94 (I): C 176.800 176.800 177.814 -1.014 RESID 94 (I): CA 64.300 64.300 64.492 -0.191 RESID 94 (I): CB 36.600 36.600 37.404 -0.804 RESID 95 (W): N 120.500 120.500 122.335 -1.835 RESID 95 (W): C 176.700 176.700 177.396 -0.696 RESID 95 (W): CA 58.100 58.100 59.945 -1.845 RESID 95 (W): CB 29.000 29.000 28.923 0.077 RESID 96 (A): N 126.300 126.300 121.403 4.897 RESID 96 (A): C 178.300 178.300 178.715 -0.415 RESID 96 (A): CA 52.400 52.400 53.827 -1.427 RESID 96 (A): CB 20.400 20.400 17.582 2.818 RESID 97 (A): N 123.200 123.200 120.938 2.262 RESID 97 (A): C 178.000 178.000 179.789 -1.789 RESID 97 (A): CA 53.600 53.600 54.609 -1.009 RESID 97 (A): CB 16.700 16.700 18.010 -1.310 RESID 98 (S): N 109.400 109.400 112.354 -2.954 RESID 98 (S): CA 63.000 63.000 60.417 2.583 RESID 99 (K): N 121.500 121.500 121.489 0.011 RESID 99 (K): C 177.300 177.300 178.579 -1.279 RESID 99 (K): CA 56.100 56.100 57.926 -1.826 RESID 99 (K): CB 30.700 30.700 33.022 -2.322 RESID 100 (V): N 121.200 121.200 120.660 0.540 RESID 100 (V): C 176.300 176.300 177.592 -1.292 RESID 100 (V): CA 64.900 64.900 65.490 -0.590 RESID 100 (V): CB 29.850 29.850 31.863 -2.013 RESID 101 (N): N 116.700 116.700 117.587 -0.887 RESID 101 (N): C 173.800 173.800 176.549 -2.749 RESID 101 (N): CA 52.300 52.300 54.426 -2.126 RESID 101 (N): CB 39.700 39.700 38.788 0.912 RESID 102 (G): N 109.500 109.500 106.321 3.179 RESID 102 (G): C 174.600 174.600 173.836 0.764 RESID 102 (G): CA 45.900 45.900 44.941 0.959 RESID 103 (W): N 117.700 117.700 119.087 -1.387 RESID 103 (W): C 173.900 173.900 174.627 -0.727 RESID 103 (W): CA 58.000 58.000 56.173 1.827 RESID 103 (W): CB 31.000 31.000 31.768 -0.768 RESID 104 (I): N 124.300 124.300 116.766 7.534 RESID 104 (I): C 175.700 175.700 174.454 1.246 RESID 104 (I): CA 60.400 60.400 59.427 0.973 RESID 104 (I): CB 35.600 35.600 40.260 -4.660 RESID 105 (F): N 121.100 121.100 119.309 1.791 RESID 105 (F): C 177.200 177.200 174.375 2.825 RESID 105 (F): CA 55.700 55.700 57.683 -1.983 RESID 105 (F): CB 40.500 40.500 40.557 -0.057 RESID 106 (G): N 110.000 110.000 112.824 -2.824 RESID 106 (G): C 174.500 174.500 173.000 1.500 RESID 106 (G): CA 41.900 41.900 44.442 -2.542 RESID 107 (T): N 114.700 114.700 114.207 0.493 RESID 107 (T): C 173.500 173.500 174.751 -1.251 RESID 107 (T): CA 60.500 60.500 61.366 -0.866 RESID 107 (T): CB 69.700 69.700 69.079 0.621 RESID 108 (F): N 124.200 124.200 120.837 3.363 RESID 108 (F): C 173.500 173.500 176.927 -3.427 RESID 108 (F): CA 60.000 60.000 60.923 -0.923 RESID 108 (F): CB 37.030 37.030 38.002 -0.972 RESID 109 (L): N 123.200 123.200 118.874 4.326 RESID 109 (L): C 176.000 176.000 178.606 -2.606 RESID 109 (L): CA 55.500 55.500 57.715 -2.215 RESID 109 (L): CB 40.900 40.900 40.070 0.830 RESID 110 (C): N 117.600 117.600 119.193 -1.593 RESID 110 (C): C 176.700 176.700 177.132 -0.432 RESID 110 (C): CA 55.700 55.700 62.394 -6.694 RESID 110 (C): CB 39.400 39.400 25.342 14.058 RESID 111 (K): N 121.600 121.600 119.873 1.727 RESID 111 (K): C 176.400 176.400 177.081 -0.681 RESID 111 (K): CA 57.300 57.300 58.671 -1.371 RESID 111 (K): CB 30.000 30.000 32.181 -2.181 RESID 112 (V): N 123.600 123.600 116.714 6.886 RESID 112 (V): C 174.100 174.100 177.546 -3.446 RESID 112 (V): CA 68.000 68.000 64.512 3.488 RESID 113 (V): N 127.800 127.800 121.080 6.720 RESID 113 (V): C 169.600 169.600 178.058 -8.458 RESID 113 (V): CA 68.800 68.800 67.395 1.405 RESID 114 (S): N 117.500 117.500 114.456 3.044 RESID 114 (S): C 175.200 175.200 176.388 -1.188 RESID 114 (S): CA 60.200 60.200 61.451 -1.251 RESID 114 (S): CB 61.890 61.890 62.093 -0.203 RESID 115 (L): N 120.000 120.000 123.505 -3.505 RESID 115 (L): C 173.700 173.700 178.337 -4.637 RESID 115 (L): CA 55.900 55.900 58.184 -2.284 RESID 115 (L): CB 40.600 40.600 42.098 -1.498 RESID 116 (L): N 126.000 126.000 117.861 8.139 RESID 116 (L): C 177.800 177.800 178.438 -0.638 RESID 116 (L): CA 55.900 55.900 57.651 -1.751 RESID 116 (L): CB 40.250 40.250 41.845 -1.595 RESID 117 (K): N 120.900 120.900 120.202 0.698 RESID 117 (K): C 173.200 173.200 178.375 -5.175 RESID 117 (K): CA 57.000 57.000 60.160 -3.160 RESID 117 (K): CB 29.800 29.800 32.084 -2.284 RESID 118 (E): N 118.900 118.900 117.644 1.256 RESID 118 (E): C 177.100 177.100 178.444 -1.344 RESID 118 (E): CA 55.300 55.300 58.958 -3.658 RESID 118 (E): CB 28.000 28.000 28.901 -0.901 RESID 119 (V): N 123.400 123.400 117.865 5.535 RESID 119 (V): C 173.600 173.600 177.202 -3.602 RESID 119 (V): CA 65.330 65.330 65.517 -0.187 RESID 119 (V): CB 29.250 29.250 31.335 -2.085 RESID 120 (N): N 120.300 120.300 119.019 1.281 RESID 120 (N): C 174.500 174.500 177.669 -3.169 RESID 120 (N): CA 55.800 55.800 55.611 0.189 RESID 120 (N): CB 38.900 38.900 38.222 0.678 RESID 121 (F): N 123.600 123.600 120.377 3.223 RESID 121 (F): C 175.500 175.500 178.164 -2.664 RESID 121 (F): CA 60.500 60.500 61.761 -1.261 RESID 121 (F): CB 37.000 37.000 38.793 -1.793 RESID 122 (Y): N 120.500 120.500 115.763 4.737 RESID 122 (Y): C 176.100 176.100 178.112 -2.012 RESID 122 (Y): CA 60.900 60.900 57.065 3.835 RESID 122 (Y): CB 37.300 37.300 36.574 0.726 RESID 123 (S): N 124.600 124.600 116.996 7.604 RESID 123 (S): C 173.900 173.900 176.619 -2.719 RESID 123 (S): CA 57.740 57.740 62.006 -4.266 RESID 123 (S): CB 59.870 59.870 62.569 -2.699 RESID 124 (G): N 107.700 107.700 109.146 -1.446 RESID 124 (G): C 171.000 171.000 175.997 -4.997 RESID 124 (G): CA 42.750 42.750 47.056 -4.306 RESID 125 (I): N 119.500 119.500 123.058 -3.558 RESID 125 (I): C 175.200 175.200 178.298 -3.098 RESID 125 (I): CA 62.950 62.950 65.123 -2.173 RESID 125 (I): CB 36.960 36.960 38.307 -1.347 RESID 126 (L): N 122.300 122.300 120.676 1.624 RESID 126 (L): C 173.600 173.600 178.597 -4.997 RESID 126 (L): CA 56.250 56.250 57.855 -1.605 RESID 127 (L): N 126.500 126.500 120.885 5.615 RESID 127 (L): C 176.100 176.100 178.257 -2.157 RESID 127 (L): CA 55.220 55.220 58.084 -2.864 RESID 127 (L): CB 41.670 41.670 41.309 0.361 RESID 128 (L): N 121.000 121.000 119.811 1.189 RESID 128 (L): C 175.600 175.600 177.743 -2.143 RESID 128 (L): CA 57.170 57.170 58.526 -1.356 RESID 128 (L): CB 40.300 40.300 41.452 -1.152 RESID 129 (A): N 125.800 125.800 122.034 3.766 RESID 129 (A): C 176.000 176.000 179.927 -3.927 RESID 129 (A): CA 52.970 52.970 54.919 -1.949 RESID 129 (A): CB 17.000 17.000 17.773 -0.773 RESID 130 (C): N 120.300 120.300 117.374 2.926 RESID 130 (C): C 177.000 177.000 177.044 -0.044 RESID 130 (C): CA 62.070 62.070 64.305 -2.235 RESID 130 (C): CB 29.880 29.880 27.550 2.330 RESID 131 (I): N 121.300 121.300 122.701 -1.401 RESID 131 (I): C 174.000 174.000 177.281 -3.281 RESID 131 (I): CA 63.080 63.080 65.053 -1.973 RESID 131 (I): CB 36.220 36.220 37.717 -1.497 RESID 132 (S): N 117.700 117.700 115.724 1.976 RESID 132 (S): C 175.100 175.100 176.166 -1.066 RESID 132 (S): CA 63.990 63.990 61.506 2.484 RESID 132 (S): CB 66.120 66.120 62.484 3.636 RESID 133 (V): N 129.800 129.800 121.852 7.948 RESID 133 (V): C 177.700 177.700 176.737 0.963 RESID 133 (V): CA 68.050 68.050 66.376 1.674 RESID 134 (D): N 124.000 124.000 119.124 4.876 RESID 134 (D): C 174.100 174.100 178.534 -4.434 RESID 134 (D): CA 57.500 57.500 56.655 0.845 RESID 134 (D): CB 40.400 40.400 40.770 -0.369 RESID 135 (R): N 124.200 124.200 120.082 4.118 RESID 135 (R): C 174.400 174.400 178.823 -4.423 RESID 135 (R): CA 58.420 58.420 58.667 -0.247 RESID 135 (R): CB 30.700 30.700 29.691 1.009 RESID 136 (Y): N 121.000 121.000 118.095 2.905 RESID 136 (Y): C 176.400 176.400 177.957 -1.557 RESID 136 (Y): CA 60.250 60.250 59.815 0.436 RESID 136 (Y): CB 37.350 37.350 37.149 0.201 RESID 137 (L): N 121.400 121.400 114.234 7.166 RESID 137 (L): C 173.700 173.700 178.879 -5.179 RESID 137 (L): CA 54.870 54.870 56.893 -2.023 RESID 137 (L): CB 41.670 41.670 41.305 0.365 RESID 138 (A): N 125.800 125.800 120.795 5.005 RESID 138 (A): C 176.100 176.100 178.137 -2.037 RESID 138 (A): CA 52.860 52.860 54.165 -1.305 RESID 138 (A): CB 17.270 17.270 18.882 -1.612 RESID 139 (I): N 120.000 120.000 116.868 3.132 RESID 139 (I): C 175.700 175.700 174.936 0.764 RESID 139 (I): CA 60.000 60.000 61.557 -1.557 RESID 139 (I): CB 30.290 30.290 39.649 -9.359 RESID 140 (V): N 118.700 118.700 114.471 4.229 RESID 140 (V): C 173.900 173.900 175.497 -1.597 RESID 140 (V): CA 61.920 61.920 60.616 1.304 RESID 140 (V): CB 30.900 30.900 34.069 -3.169 RESID 141 (H): N 117.200 117.200 121.864 -4.664 RESID 141 (H): C 177.900 177.900 174.216 3.684 RESID 141 (H): CA 58.860 58.860 55.630 3.230 RESID 141 (H): CB 30.090 30.090 29.761 0.329 RESID 142 (A): N 121.200 121.200 125.526 -4.326 RESID 142 (A): C 174.600 174.600 177.018 -2.418 RESID 142 (A): CA 53.170 53.170 52.742 0.428 RESID 142 (A): CB 16.580 16.580 18.000 -1.420 RESID 143 (T): N 118.000 118.000 115.483 2.517 RESID 143 (T): C 177.000 177.000 174.462 2.538 RESID 143 (T): CA 62.520 62.520 64.562 -2.042 RESID 143 (T): CB 64.330 64.330 67.829 -3.498 RESID 144 (R): CA 57.250 57.250 56.954 0.296 RESID 144 (R): CB 30.340 30.340 31.806 -1.466 RESID 145 (T): N 119.700 119.700 110.760 8.940 RESID 145 (T): C 177.000 177.000 174.057 2.943 RESID 145 (T): CA 62.370 62.370 62.055 0.315 RESID 145 (T): CB 64.120 64.120 69.776 -5.656 RESID 146 (L): N 127.900 127.900 125.066 2.834 RESID 146 (L): C 173.200 173.200 175.281 -2.081 RESID 146 (L): CA 55.790 55.790 55.250 0.540 RESID 146 (L): CB 40.570 40.570 41.382 -0.812 RESID 147 (T): N 124.000 124.000 115.001 8.999 RESID 147 (T): C 177.700 177.700 173.574 4.126 RESID 147 (T): CA 62.050 62.050 61.220 0.830 RESID 147 (T): CB 63.770 63.770 71.579 -7.809 RESID 148 (Q): N 122.800 122.800 121.391 1.409 RESID 148 (Q): C 176.700 176.700 176.651 0.049 RESID 148 (Q): CA 53.470 53.470 56.407 -2.938 RESID 148 (Q): CB 29.310 29.310 29.878 -0.568 RESID 149 (K): N 120.900 120.900 123.460 -2.560 RESID 149 (K): C 175.900 175.900 178.457 -2.557 RESID 149 (K): CA 59.440 59.440 59.215 0.225 RESID 150 (R): N 122.200 122.200 118.570 3.630 RESID 150 (R): C 177.500 177.500 178.293 -0.793 RESID 150 (R): CA 56.700 56.700 59.213 -2.513 RESID 150 (R): CB 31.150 31.150 29.301 1.849 RESID 151 (H): N 117.300 117.300 115.991 1.309 RESID 151 (H): C 177.800 177.800 177.181 0.619 RESID 151 (H): CA 59.130 59.130 58.075 1.055 RESID 151 (H): CB 29.400 29.400 28.363 1.037 RESID 152 (L): N 120.400 120.400 120.694 -0.294 RESID 152 (L): C 176.800 176.800 178.353 -1.553 RESID 152 (L): CA 56.150 56.150 58.015 -1.865 RESID 152 (L): CB 39.810 39.810 41.369 -1.559 RESID 153 (V): N 121.500 121.500 118.101 3.399 RESID 153 (V): C 174.300 174.300 177.805 -3.505 RESID 153 (V): CA 61.240 61.240 65.992 -4.752 RESID 154 (K): N 117.000 117.000 121.118 -4.118 RESID 154 (K): C 175.300 175.300 178.643 -3.343 RESID 154 (K): CA 59.000 59.000 58.962 0.038 RESID 155 (F): N 121.100 121.100 119.913 1.187 RESID 155 (F): C 176.600 176.600 177.392 -0.792 RESID 155 (F): CA 61.200 61.200 61.454 -0.254 RESID 156 (V): N 123.800 123.800 119.934 3.866 RESID 156 (V): C 177.700 177.700 177.401 0.299 RESID 156 (V): CA 62.170 62.170 66.303 -4.133 RESID 156 (V): CB 33.400 33.400 30.983 2.417 RESID 157 (C): CA 58.260 58.260 62.684 -4.424 RESID 158 (L): N 122.900 122.900 120.692 2.208 RESID 158 (L): C 175.500 175.500 178.814 -3.314 RESID 158 (L): CA 55.750 55.750 57.587 -1.837 RESID 159 (G): N 104.900 104.900 106.418 -1.518 RESID 159 (G): C 176.200 176.200 176.353 -0.153 RESID 159 (G): CA 44.750 44.750 47.072 -2.322 RESID 160 (C): N 116.700 116.700 121.210 -4.510 RESID 160 (C): C 181.100 181.100 176.971 4.129 RESID 160 (C): CA 59.000 59.000 61.996 -2.996 RESID 160 (C): CB 29.130 29.130 26.486 2.644 RESID 161 (W): N 119.000 119.000 120.936 -1.936 RESID 161 (W): C 174.900 174.900 178.943 -4.043 RESID 161 (W): CA 55.880 55.880 61.285 -5.405 RESID 162 (G): N 108.300 108.300 106.275 2.025 RESID 162 (G): C 173.600 173.600 175.932 -2.332 RESID 162 (G): CA 45.100 45.100 47.339 -2.239 RESID 163 (L): N 120.200 120.200 122.651 -2.451 RESID 163 (L): C 173.500 173.500 178.805 -5.305 RESID 163 (L): CA 55.800 55.800 57.411 -1.611 RESID 163 (L): CB 39.850 39.850 41.194 -1.344 RESID 164 (S): N 117.200 117.200 114.929 2.271 RESID 164 (S): C 175.000 175.000 176.980 -1.980 RESID 164 (S): CA 55.600 55.600 61.260 -5.660 RESID 164 (S): CB 65.660 65.660 63.374 2.286 RESID 165 (M): N 121.200 121.200 122.810 -1.610 RESID 165 (M): C 175.500 175.500 177.629 -2.129 RESID 165 (M): CA 57.600 57.600 58.685 -1.085 RESID 165 (M): CB 30.000 30.000 32.844 -2.845 RESID 166 (N): N 120.200 120.200 116.950 3.250 RESID 166 (N): C 176.500 176.500 176.818 -0.318 RESID 166 (N): CA 56.080 56.080 55.545 0.534 RESID 166 (N): CB 38.940 38.940 38.211 0.729 RESID 167 (L): N 120.800 120.800 119.761 1.039 RESID 167 (L): C 177.200 177.200 177.841 -0.641 RESID 167 (L): CA 64.900 64.900 57.119 7.781 RESID 167 (L): CB 36.400 36.400 42.545 -6.145 RESID 168 (S): N 119.400 119.400 114.686 4.714 RESID 168 (S): C 174.100 174.100 176.481 -2.381 RESID 168 (S): CA 55.700 55.700 60.238 -4.538 RESID 168 (S): CB 57.600 57.600 63.491 -5.891 RESID 169 (L): N 122.900 122.900 124.489 -1.589 RESID 169 (L): C 177.500 177.500 175.674 1.826 RESID 169 (L): CA 56.460 56.460 60.151 -3.691 RESID 169 (L): CB 39.200 39.200 39.285 -0.085 RESID 171 (F): N 118.600 118.600 117.510 1.090 RESID 171 (F): C 173.600 173.600 176.191 -2.591 RESID 171 (F): CA 61.700 61.700 60.234 1.466 RESID 172 (F): N 116.300 116.300 115.505 0.795 RESID 172 (F): C 174.200 174.200 176.899 -2.699 RESID 172 (F): CA 59.500 59.500 60.388 -0.888 RESID 172 (F): CB 42.000 42.000 38.690 3.310 RESID 173 (L): N 120.400 120.400 118.433 1.967 RESID 173 (L): C 177.300 177.300 177.636 -0.336 RESID 173 (L): CA 54.730 54.730 57.497 -2.767 RESID 173 (L): CB 37.230 37.230 41.531 -4.301 RESID 174 (F): N 121.200 121.200 109.136 12.064 RESID 174 (F): C 177.000 177.000 174.864 2.136 RESID 174 (F): CA 59.000 59.000 56.566 2.434 RESID 174 (F): CB 43.220 43.220 39.157 4.063 RESID 175 (R): N 118.500 118.500 122.105 -3.605 RESID 175 (R): C 178.400 178.400 177.382 1.018 RESID 175 (R): CA 56.200 56.200 56.862 -0.662 RESID 176 (Q): N 122.100 122.100 118.827 3.273 RESID 176 (Q): C 178.000 178.000 173.753 4.247 RESID 176 (Q): CA 56.200 56.200 58.269 -2.069 RESID 177 (A): N 123.200 123.200 119.117 4.083 RESID 177 (A): C 176.900 176.900 174.958 1.942 RESID 177 (A): CA 54.300 54.300 52.033 2.267 RESID 177 (A): CB 16.870 16.870 20.549 -3.679 RESID 178 (Y): N 120.700 120.700 117.795 2.905 RESID 178 (Y): C 174.800 174.800 175.972 -1.172 RESID 178 (Y): CA 56.600 56.600 56.955 -0.355 RESID 178 (Y): CB 39.900 39.900 39.058 0.842 RESID 179 (H): N 119.600 119.600 118.213 1.387 RESID 179 (H): C 176.600 176.600 173.164 3.436 RESID 179 (H): CA 58.220 58.220 51.655 6.565 RESID 179 (H): CB 31.560 31.560 28.923 2.637 RESID 181 (N): N 119.200 119.200 116.911 2.289 RESID 181 (N): C 172.500 172.500 174.248 -1.748 RESID 181 (N): CA 56.150 56.150 52.897 3.253 RESID 181 (N): CB 36.500 36.500 42.047 -5.547 RESID 182 (N): N 114.100 114.100 121.075 -6.975 RESID 182 (N): C 175.800 175.800 173.366 2.434 RESID 182 (N): CA 55.500 55.500 54.927 0.573 RESID 183 (S): N 117.200 117.200 115.240 1.960 RESID 183 (S): C 175.600 175.600 173.142 2.458 RESID 183 (S): CA 55.400 55.400 57.766 -2.366 RESID 183 (S): CB 63.800 63.800 63.335 0.465 RESID 184 (S): N 117.000 117.000 115.548 1.452 RESID 184 (S): C 175.000 175.000 172.124 2.876 RESID 184 (S): CA 55.500 55.500 56.599 -1.099 RESID 184 (S): CB 63.800 63.800 65.784 -1.984 RESID 186 (V): N 119.500 119.500 116.395 3.105 RESID 186 (V): C 175.300 175.300 174.386 0.914 RESID 186 (V): CA 65.290 65.290 60.345 4.945 RESID 186 (V): CB 30.120 30.120 31.727 -1.607 RESID 187 (C): N 116.500 116.500 125.927 -9.427 RESID 187 (C): C 176.300 176.300 173.472 2.828 RESID 187 (C): CA 56.000 56.000 59.122 -3.122 RESID 187 (C): CB 40.000 40.000 29.250 10.750 RESID 188 (Y): N 121.300 121.300 123.664 -2.364 RESID 188 (Y): C 176.500 176.500 173.622 2.878 RESID 188 (Y): CA 55.860 55.860 55.333 0.527 RESID 188 (Y): CB 40.240 40.240 40.637 -0.397 RESID 189 (E): N 122.000 122.000 119.593 2.407 RESID 189 (E): C 175.500 175.500 175.174 0.326 RESID 189 (E): CA 57.900 57.900 55.915 1.985 RESID 189 (E): CB 31.840 31.840 29.823 2.017 RESID 190 (V): N 123.500 123.500 116.293 7.207 RESID 190 (V): C 172.800 172.800 176.990 -4.190 RESID 190 (V): CA 65.670 65.670 62.936 2.734 RESID 190 (V): CB 29.200 29.200 32.320 -3.120 RESID 191 (L): N 129.900 129.900 127.107 2.793 RESID 191 (L): CA 55.500 55.500 56.615 -1.115 RESID 192 (G): N 107.500 107.500 102.225 5.275 RESID 192 (G): C 173.500 173.500 172.634 0.866 RESID 192 (G): CA 44.870 44.870 44.309 0.561 RESID 193 (N): N 116.600 116.600 116.865 -0.265 RESID 193 (N): CA 52.800 52.800 55.316 -2.516 RESID 193 (N): CB 39.560 39.560 38.906 0.654 RESID 194 (D): N 123.100 123.100 115.620 7.480 RESID 194 (D): C 172.800 172.800 176.264 -3.464 RESID 194 (D): CA 53.900 53.900 54.394 -0.494 RESID 194 (D): CB 39.700 39.700 39.463 0.237 RESID 195 (T): N 118.800 118.800 112.991 5.809 RESID 195 (T): C 175.500 175.500 175.658 -0.158 RESID 195 (T): CA 63.000 63.000 64.823 -1.823 RESID 196 (A): N 123.300 123.300 123.356 -0.056 RESID 196 (A): C 173.000 173.000 178.232 -5.232 RESID 196 (A): CA 53.800 53.800 54.392 -0.592 RESID 196 (A): CB 17.240 17.240 18.752 -1.512 RESID 197 (K): N 121.700 121.700 114.114 7.586 RESID 197 (K): C 175.000 175.000 174.996 0.004 RESID 197 (K): CA 56.900 56.900 53.959 2.941 RESID 197 (K): CB 29.900 29.900 33.014 -3.114 RESID 198 (W): N 120.700 120.700 117.537 3.163 RESID 198 (W): C 177.600 177.600 176.508 1.092 RESID 198 (W): CA 59.300 59.300 57.154 2.146 RESID 198 (W): CB 29.700 29.700 25.606 4.094 RESID 199 (R): N 123.500 123.500 120.594 2.906 RESID 199 (R): C 178.100 178.100 178.204 -0.104 RESID 199 (R): CA 55.950 55.950 59.767 -3.817 RESID 199 (R): CB 31.060 31.060 29.951 1.109 RESID 200 (M): N 119.900 119.900 119.275 0.625 RESID 200 (M): C 175.400 175.400 177.641 -2.241 RESID 200 (M): CA 58.100 58.100 59.155 -1.055 RESID 200 (M): CB 31.100 31.100 32.597 -1.497 RESID 201 (V): N 123.700 123.700 117.098 6.602 RESID 201 (V): C 174.900 174.900 177.579 -2.679 RESID 201 (V): CA 65.700 65.700 65.733 -0.033 RESID 201 (V): CB 29.180 29.180 30.846 -1.666 RESID 202 (L): N 124.000 124.000 120.851 3.149 RESID 202 (L): C 172.700 172.700 178.165 -5.465 RESID 202 (L): CA 54.800 54.800 57.972 -3.172 RESID 203 (R): N 124.000 124.000 117.312 6.688 RESID 203 (R): C 176.200 176.200 178.531 -2.331 RESID 203 (R): CA 55.800 55.800 58.473 -2.673 RESID 203 (R): CB 31.260 31.260 29.195 2.065 RESID 204 (I): N 120.500 120.500 120.004 0.496 RESID 204 (I): C 176.000 176.000 177.854 -1.854 RESID 204 (I): CA 64.700 64.700 63.460 1.240 RESID 204 (I): CB 36.400 36.400 38.318 -1.918 RESID 205 (L): N 123.400 123.400 121.444 1.956 RESID 205 (L): C 176.000 176.000 175.619 0.381 RESID 205 (L): CA 55.000 55.000 60.850 -5.850 RESID 206 (P): CA 62.500 62.500 66.335 -3.834 RESID 207 (H): N 113.500 113.500 118.296 -4.796 RESID 207 (H): C 175.200 175.200 177.045 -1.845 RESID 207 (H): CA 53.110 53.110 59.391 -6.281 RESID 207 (H): CB 30.000 30.000 30.009 -0.008 RESID 208 (T): N 122.100 122.100 116.634 5.466 RESID 208 (T): C 178.000 178.000 176.472 1.528 RESID 208 (T): CA 62.850 62.850 66.393 -3.543 RESID 209 (F): N 117.500 117.500 119.732 -2.232 RESID 209 (F): C 175.400 175.400 177.800 -2.400 RESID 209 (F): CA 59.850 59.850 57.329 2.521 RESID 210 (G): N 111.700 111.700 107.103 4.597 RESID 210 (G): C 174.100 174.100 173.871 0.229 RESID 210 (G): CA 45.000 45.000 46.098 -1.098 RESID 211 (F): N 120.900 120.900 120.211 0.689 RESID 211 (F): C 175.000 175.000 176.194 -1.194 RESID 211 (F): CA 55.950 55.950 59.088 -3.138 RESID 212 (I): N 120.100 120.100 120.038 0.062 RESID 212 (I): C 175.900 175.900 177.596 -1.696 RESID 212 (I): CA 64.440 64.440 64.882 -0.442 RESID 212 (I): CB 36.600 36.600 37.048 -0.448 RESID 213 (V): N 123.400 123.400 118.926 4.474 RESID 213 (V): C 175.300 175.300 175.042 0.258 RESID 213 (V): CA 65.750 65.750 67.811 -2.061 RESID 213 (V): CB 29.680 29.680 29.228 0.452 RESID 215 (L): N 125.300 125.300 119.409 5.891 RESID 215 (L): C 177.200 177.200 177.822 -0.622 RESID 215 (L): CA 55.700 55.700 57.594 -1.894 RESID 215 (L): CB 40.150 40.150 41.216 -1.066 RESID 216 (F): N 123.800 123.800 115.646 8.154 RESID 216 (F): C 179.200 179.200 177.901 1.299 RESID 216 (F): CA 60.650 60.650 59.419 1.231 RESID 216 (F): CB 37.000 37.000 37.079 -0.079 RESID 217 (V): N 118.500 118.500 119.723 -1.223 RESID 217 (V): C 175.400 175.400 177.995 -2.595 RESID 217 (V): CA 65.660 65.660 66.465 -0.805 RESID 217 (V): CB 29.920 29.920 30.917 -0.997 RESID 218 (M): N 118.300 118.300 118.604 -0.304 RESID 218 (M): C 174.400 174.400 178.802 -4.402 RESID 218 (M): CA 55.000 55.000 59.150 -4.150 RESID 218 (M): CB 31.650 31.650 31.787 -0.137 RESID 219 (L): N 120.500 120.500 119.137 1.363 RESID 219 (L): C 177.600 177.600 179.381 -1.781 RESID 219 (L): CA 55.800 55.800 58.317 -2.517 RESID 219 (L): CB 40.810 40.810 40.740 0.070 RESID 220 (F): N 124.700 124.700 119.462 5.238 RESID 220 (F): C 176.000 176.000 178.286 -2.286 RESID 220 (F): CA 61.170 61.170 60.511 0.659 RESID 221 (C): N 117.800 117.800 118.038 -0.238 RESID 221 (C): C 176.000 176.000 177.485 -1.485 RESID 221 (C): CA 61.870 61.870 62.410 -0.541 RESID 222 (Y): N 122.000 122.000 123.068 -1.068 RESID 222 (Y): C 178.400 178.400 178.928 -0.528 RESID 222 (Y): CA 57.500 57.500 59.957 -2.457 RESID 222 (Y): CB 37.150 37.150 37.460 -0.310 RESID 223 (G): N 110.300 110.300 106.396 3.904 RESID 223 (G): C 174.500 174.500 175.995 -1.495 RESID 223 (G): CA 41.700 41.700 46.955 -5.255 RESID 224 (F): N 120.100 120.100 120.701 -0.601 RESID 224 (F): C 176.500 176.500 178.453 -1.953 RESID 224 (F): CA 62.300 62.300 61.395 0.905 RESID 224 (F): CB 36.900 36.900 39.249 -2.349 RESID 225 (T): N 118.500 118.500 114.716 3.784 RESID 225 (T): C 175.000 175.000 176.261 -1.261 RESID 225 (T): CA 64.650 64.650 66.293 -1.643 RESID 226 (L): N 122.900 122.900 121.213 1.687 RESID 226 (L): C 177.200 177.200 178.496 -1.296 RESID 226 (L): CA 55.900 55.900 56.365 -0.465 RESID 226 (L): CB 39.400 39.400 41.102 -1.702 RESID 227 (R): N 121.000 121.000 120.689 0.311 RESID 227 (R): C 177.200 177.200 177.819 -0.619 RESID 227 (R): CA 54.600 54.600 58.752 -4.152 RESID 227 (R): CB 28.500 28.500 30.035 -1.535 RESID 228 (T): N 119.600 119.600 111.377 8.223 RESID 228 (T): C 176.900 176.900 175.539 1.361 RESID 228 (T): CA 64.750 64.750 62.847 1.903 RESID 228 (T): CB 66.560 66.560 70.673 -4.113 RESID 229 (L): N 125.600 125.600 125.814 -0.214 RESID 229 (L): C 177.800 177.800 176.880 0.920 RESID 229 (L): CA 55.700 55.700 53.657 2.043 RESID 229 (L): CB 40.260 40.260 38.593 1.667 RESID 230 (F): N 121.900 121.900 121.876 0.024 RESID 230 (F): C 176.900 176.900 176.149 0.751 RESID 230 (F): CA 58.770 58.770 60.520 -1.750 RESID 230 (F): CB 41.940 41.940 38.532 3.408 RESID 231 (K): N 121.600 121.600 118.936 2.664 RESID 231 (K): C 174.900 174.900 175.911 -1.011 RESID 231 (K): CA 56.000 56.000 55.796 0.204 RESID 231 (K): CB 30.900 30.900 32.230 -1.330 RESID 232 (A): N 123.500 123.500 122.855 0.645 RESID 232 (A): C 176.900 176.900 176.098 0.802 RESID 232 (A): CA 54.000 54.000 53.023 0.977 RESID 232 (A): CB 21.830 21.830 18.951 2.879 RESID 233 (H): N 123.500 123.500 118.701 4.799 RESID 233 (H): C 176.100 176.100 173.169 2.931 RESID 233 (H): CA 55.700 55.700 54.490 1.210 RESID 233 (H): CB 29.060 29.060 28.845 0.215 RESID 234 (M): N 120.000 120.000 121.565 -1.565 RESID 234 (M): C 176.700 176.700 176.561 0.139 RESID 234 (M): CA 58.000 58.000 56.154 1.846 RESID 234 (M): CB 31.810 31.810 33.518 -1.708 RESID 235 (G): N 109.600 109.600 110.599 -0.999 RESID 235 (G): C 173.300 173.300 174.341 -1.041 RESID 235 (G): CA 42.800 42.800 45.768 -2.968 RESID 236 (Q): N 116.800 116.800 121.362 -4.562 RESID 236 (Q): C 173.100 173.100 176.840 -3.740 RESID 236 (Q): CA 55.000 55.000 56.945 -1.945 RESID 236 (Q): CB 25.400 25.400 28.280 -2.880 RESID 237 (K): N 123.200 123.200 120.627 2.573 RESID 237 (K): C 178.100 178.100 177.627 0.473 RESID 237 (K): CA 56.000 56.000 59.503 -3.503 RESID 237 (K): CB 31.110 31.110 32.375 -1.265 RESID 238 (H): N 123.600 123.600 114.574 9.026 RESID 238 (H): C 177.000 177.000 176.361 0.639 RESID 238 (H): CA 54.720 54.720 56.796 -2.076 RESID 238 (H): CB 30.000 30.000 31.677 -1.677 RESID 239 (R): N 122.100 122.100 121.676 0.424 RESID 239 (R): C 176.600 176.600 177.532 -0.932 RESID 239 (R): CA 55.650 55.650 59.491 -3.841 RESID 239 (R): CB 31.100 31.100 29.908 1.192 RESID 240 (A): N 121.800 121.800 121.870 -0.070 RESID 240 (A): C 175.900 175.900 179.472 -3.572 RESID 240 (A): CA 52.800 52.800 54.913 -2.113 RESID 240 (A): CB 16.700 16.700 17.816 -1.116 RESID 241 (M): N 120.200 120.200 117.792 2.408 RESID 241 (M): C 175.600 175.600 177.894 -2.294 RESID 241 (M): CA 58.100 58.100 58.702 -0.602 RESID 241 (M): CB 31.810 31.810 32.200 -0.390 RESID 242 (R): N 121.200 121.200 118.058 3.142 RESID 242 (R): C 177.400 177.400 179.021 -1.621 RESID 242 (R): CA 56.000 56.000 58.156 -2.156 RESID 242 (R): CB 30.910 30.910 29.212 1.698 RESID 243 (V): N 119.700 119.700 120.850 -1.150 RESID 243 (V): C 175.600 175.600 177.655 -2.055 RESID 243 (V): CA 65.470 65.470 65.507 -0.037 RESID 243 (V): CB 29.400 29.400 30.866 -1.466 RESID 244 (I): N 120.900 120.900 121.968 -1.068 RESID 244 (I): C 175.500 175.500 177.861 -2.361 RESID 244 (I): CA 64.600 64.600 65.772 -1.172 RESID 244 (I): CB 36.800 36.800 37.727 -0.927 RESID 245 (F): N 117.200 117.200 120.078 -2.878 RESID 245 (F): C 175.100 175.100 176.489 -1.389 RESID 245 (F): CA 60.200 60.200 61.414 -1.214 RESID 245 (F): CB 39.770 39.770 39.105 0.665 RESID 246 (A): N 122.300 122.300 122.837 -0.537 RESID 246 (A): C 177.700 177.700 179.238 -1.538 RESID 246 (A): CA 53.200 53.200 55.540 -2.340 RESID 246 (A): CB 16.880 16.880 18.050 -1.170 RESID 247 (V): N 121.000 121.000 115.569 5.431 RESID 247 (V): C 175.000 175.000 177.990 -2.990 RESID 247 (V): CA 66.450 66.450 65.881 0.569 RESID 247 (V): CB 29.550 29.550 30.591 -1.041 RESID 248 (V): N 122.300 122.300 121.268 1.032 RESID 248 (V): C 177.200 177.200 178.404 -1.204 RESID 248 (V): CA 64.860 64.860 66.138 -1.278 RESID 248 (V): CB 30.140 30.140 30.784 -0.644 RESID 249 (L): N 119.300 119.300 120.757 -1.457 RESID 249 (L): C 176.400 176.400 179.057 -2.657 RESID 249 (L): CA 56.180 56.180 57.670 -1.490 RESID 249 (L): CB 40.650 40.650 40.737 -0.087 RESID 250 (I): N 121.200 121.200 118.145 3.055 RESID 250 (I): C 176.900 176.900 177.599 -0.699 RESID 250 (I): CA 64.200 64.200 65.275 -1.075 RESID 250 (I): CB 36.700 36.700 36.950 -0.250 RESID 251 (F): N 125.100 125.100 120.444 4.656 RESID 251 (F): C 177.100 177.100 177.520 -0.420 RESID 251 (F): CA 59.800 59.800 60.949 -1.149 RESID 252 (L): N 118.800 118.800 119.115 -0.315 RESID 252 (L): C 176.700 176.700 179.155 -2.455 RESID 252 (L): CA 56.000 56.000 56.783 -0.783 RESID 252 (L): CB 40.700 40.700 41.288 -0.588 RESID 253 (L): N 121.800 121.800 122.480 -0.680 RESID 253 (L): C 176.700 176.700 177.390 -0.690 RESID 253 (L): CA 56.220 56.220 58.015 -1.795 RESID 253 (L): CB 40.000 40.000 41.806 -1.806 RESID 254 (C): N 119.800 119.800 114.887 4.913 RESID 254 (C): C 176.800 176.800 176.630 0.170 RESID 254 (C): CA 58.300 58.300 61.516 -3.216 RESID 254 (C): CB 28.040 28.040 29.237 -1.197 RESID 255 (W): N 121.300 121.300 122.227 -0.927 RESID 255 (W): C 178.400 178.400 177.148 1.252 RESID 255 (W): CA 56.940 56.940 60.647 -3.707 RESID 255 (W): CB 29.850 29.850 30.439 -0.589 RESID 256 (L): N 124.900 124.900 121.476 3.424 RESID 256 (L): C 177.700 177.700 175.733 1.967 RESID 256 (L): CA 55.840 55.840 60.188 -4.348 RESID 256 (L): CB 40.000 40.000 39.658 0.342 RESID 258 (Y): N 124.900 124.900 119.534 5.366 RESID 258 (Y): C 179.000 179.000 177.116 1.884 RESID 258 (Y): CA 58.330 58.330 61.084 -2.754 RESID 258 (Y): CB 42.070 42.070 37.384 4.686 RESID 259 (N): N 123.000 123.000 117.943 5.057 RESID 259 (N): C 173.000 173.000 177.181 -4.181 RESID 259 (N): CA 53.900 53.900 54.792 -0.892 RESID 259 (N): CB 37.620 37.620 36.995 0.625 RESID 260 (L): N 121.800 121.800 120.790 1.010 RESID 260 (L): C 175.300 175.300 178.568 -3.268 RESID 260 (L): CA 56.190 56.190 58.099 -1.909 RESID 260 (L): CB 39.060 39.060 41.860 -2.800 RESID 261 (V): N 118.600 118.600 118.949 -0.349 RESID 261 (V): C 175.000 175.000 177.391 -2.391 RESID 261 (V): CA 65.200 65.200 65.832 -0.632 RESID 261 (V): CB 29.620 29.620 31.815 -2.195 RESID 262 (L): N 121.800 121.800 121.397 0.403 RESID 262 (L): C 176.600 176.600 178.073 -1.473 RESID 262 (L): CA 56.000 56.000 58.750 -2.750 RESID 262 (L): CB 40.070 40.070 41.682 -1.613 RESID 263 (L): N 123.500 123.500 118.719 4.781 RESID 263 (L): C 176.000 176.000 178.584 -2.584 RESID 263 (L): CA 55.600 55.600 58.287 -2.687 RESID 263 (L): CB 40.620 40.620 41.176 -0.556 RESID 264 (A): N 122.200 122.200 121.467 0.733 RESID 264 (A): C 174.400 174.400 178.981 -4.581 RESID 264 (A): CA 53.300 53.300 55.653 -2.353 RESID 264 (A): CB 15.820 15.820 17.855 -2.035 RESID 265 (D): N 126.500 126.500 119.223 7.277 RESID 265 (D): C 171.600 171.600 179.504 -7.904 RESID 265 (D): CA 56.300 56.300 57.179 -0.879 RESID 266 (T): N 120.700 120.700 116.415 4.285 RESID 266 (T): C 175.300 175.300 176.169 -0.869 RESID 266 (T): CA 60.300 60.300 66.332 -6.032 RESID 267 (L): N 121.600 121.600 120.074 1.526 RESID 267 (L): C 176.100 176.100 177.211 -1.111 RESID 267 (L): CA 55.950 55.950 56.737 -0.787 RESID 267 (L): CB 40.130 40.130 42.204 -2.074 RESID 268 (M): N 120.200 120.200 116.982 3.218 RESID 268 (M): C 176.800 176.800 175.666 1.134 RESID 268 (M): CA 58.200 58.200 55.474 2.726 RESID 268 (M): CB 31.900 31.900 31.497 0.403 RESID 269 (R): N 116.700 116.700 118.861 -2.161 RESID 269 (R): C 175.500 175.500 176.336 -0.836 RESID 269 (R): CA 57.000 57.000 57.639 -0.639 RESID 269 (R): CB 29.700 29.700 28.995 0.705 RESID 270 (T): N 117.100 117.100 106.126 10.974 RESID 270 (T): C 175.700 175.700 173.791 1.909 RESID 270 (T): CA 64.000 64.000 63.745 0.256 RESID 271 (Q): N 122.800 122.800 119.172 3.628 RESID 271 (Q): C 176.000 176.000 175.378 0.622 RESID 271 (Q): CA 57.400 57.400 53.859 3.541 RESID 272 (V): N 121.300 121.300 116.865 4.435 RESID 272 (V): C 176.000 176.000 175.567 0.433 RESID 272 (V): CA 63.670 63.670 63.158 0.512 RESID 272 (V): CB 35.310 35.310 30.270 5.040 RESID 273 (I): N 123.300 123.300 121.815 1.485 RESID 273 (I): C 178.300 178.300 176.102 2.198 RESID 273 (I): CA 64.000 64.000 61.406 2.594 RESID 273 (I): CB 36.000 36.000 38.812 -2.812 RESID 274 (Q): N 123.400 123.400 120.247 3.153 RESID 274 (Q): C 176.000 176.000 175.547 0.453 RESID 274 (Q): CA 56.950 56.950 56.982 -0.032 RESID 275 (E): N 123.600 123.600 117.621 5.979 RESID 275 (E): C 177.200 177.200 175.248 1.952 RESID 275 (E): CA 55.730 55.730 57.010 -1.280 RESID 275 (E): CB 29.130 29.130 31.135 -2.005 RESID 276 (S): N 116.400 116.400 121.214 -4.814 RESID 276 (S): CA 61.300 61.300 60.653 0.647 RESID 276 (S): CB 63.340 63.340 63.237 0.103 RESID 277 (C): N 117.200 117.200 120.404 -3.204 RESID 277 (C): C 175.600 175.600 177.167 -1.567 RESID 277 (C): CA 55.300 55.300 63.096 -7.795 RESID 277 (C): CB 25.240 25.240 26.445 -1.205 RESID 278 (E): N 120.900 120.900 120.775 0.125 RESID 278 (E): C 175.200 175.200 178.667 -3.467 RESID 278 (E): CA 58.200 58.200 59.237 -1.037 RESID 278 (E): CB 28.890 28.890 29.089 -0.199 RESID 279 (R): N 123.000 123.000 120.635 2.365 RESID 279 (R): C 176.600 176.600 178.376 -1.776 RESID 279 (R): CA 56.200 56.200 57.952 -1.752 RESID 279 (R): CB 29.500 29.500 29.587 -0.087 RESID 280 (R): N 124.000 124.000 116.314 7.686 RESID 280 (R): C 176.300 176.300 178.241 -1.941 RESID 280 (R): CA 55.870 55.870 57.506 -1.636 RESID 280 (R): CB 28.250 28.250 29.697 -1.447 RESID 281 (N): N 121.100 121.100 119.040 2.060 RESID 281 (N): C 174.600 174.600 176.606 -2.006 RESID 281 (N): CA 51.880 51.880 55.786 -3.906 RESID 281 (N): CB 37.700 37.700 38.160 -0.460 RESID 282 (N): N 121.600 121.600 118.108 3.492 RESID 282 (N): C 176.600 176.600 176.692 -0.092 RESID 282 (N): CA 55.800 55.800 55.709 0.091 RESID 282 (N): CB 39.000 39.000 38.303 0.697 RESID 283 (I): N 120.800 120.800 117.377 3.423 RESID 283 (I): C 175.200 175.200 176.795 -1.595 RESID 283 (I): CA 64.500 64.500 62.316 2.184 RESID 283 (I): CB 36.600 36.600 37.864 -1.264 RESID 284 (G): N 110.500 110.500 105.321 5.179 RESID 284 (G): C 176.800 176.800 176.061 0.739 RESID 284 (G): CA 41.400 41.400 45.258 -3.858 RESID 286 (A): N 122.800 122.800 121.167 1.633 RESID 286 (A): C 178.500 178.500 179.531 -1.031 RESID 286 (A): CA 53.840 53.840 54.623 -0.783 RESID 286 (A): CB 16.630 16.630 18.249 -1.619 RESID 287 (L): N 125.500 125.500 118.573 6.927 RESID 287 (L): C 175.800 175.800 178.160 -2.360 RESID 287 (L): CA 56.150 56.150 57.696 -1.546 RESID 287 (L): CB 40.200 40.200 41.755 -1.555 RESID 288 (D): N 116.800 116.800 118.351 -1.551 RESID 288 (D): C 176.500 176.500 177.917 -1.417 RESID 288 (D): CA 56.250 56.250 56.596 -0.346 RESID 289 (A): N 124.600 124.600 121.764 2.836 RESID 289 (A): C 177.500 177.500 179.439 -1.939 RESID 289 (A): CA 53.250 53.250 55.414 -2.164 RESID 289 (A): CB 16.900 16.900 18.288 -1.388 RESID 290 (T): N 114.900 114.900 113.463 1.437 RESID 290 (T): C 177.000 177.000 176.342 0.658 RESID 290 (T): CA 64.100 64.100 65.625 -1.525 RESID 291 (E): N 120.800 120.800 122.450 -1.650 RESID 291 (E): C 177.000 177.000 178.764 -1.764 RESID 291 (E): CA 57.500 57.500 59.603 -2.103 RESID 291 (E): CB 29.700 29.700 29.613 0.087 RESID 292 (I): N 121.300 121.300 120.317 0.983 RESID 292 (I): C 176.000 176.000 178.557 -2.557 RESID 292 (I): CA 64.300 64.300 65.293 -0.993 RESID 292 (I): CB 36.640 36.640 37.853 -1.213 RESID 293 (L): N 122.700 122.700 120.248 2.452 RESID 293 (L): C 175.100 175.100 179.000 -3.900 RESID 293 (L): CA 55.600 55.600 57.558 -1.958 RESID 293 (L): CB 39.440 39.440 40.868 -1.428 RESID 294 (G): N 108.500 108.500 107.334 1.166 RESID 294 (G): C 173.800 173.800 176.269 -2.469 RESID 294 (G): CA 45.030 45.030 46.799 -1.769 RESID 295 (F): N 121.600 121.600 122.056 -0.456 RESID 295 (F): C 177.500 177.500 176.882 0.618 RESID 295 (F): CA 58.500 58.500 57.561 0.939 RESID 296 (L): N 120.900 120.900 121.305 -0.405 RESID 296 (L): C 175.300 175.300 176.959 -1.659 RESID 296 (L): CA 55.900 55.900 56.389 -0.489 RESID 296 (L): CB 40.000 40.000 41.074 -1.074 RESID 297 (H): N 120.600 120.600 115.958 4.642 RESID 297 (H): C 176.600 176.600 175.588 1.012 RESID 297 (H): CA 57.700 57.700 57.755 -0.055 RESID 297 (H): CB 30.130 30.130 29.333 0.797 RESID 298 (S): N 122.500 122.500 111.576 10.924 RESID 298 (S): C 177.700 177.700 173.783 3.917 RESID 298 (S): CA 62.580 62.580 57.547 5.033 RESID 298 (S): CB 64.530 64.530 63.729 0.801 RESID 299 (C): N 121.600 121.600 120.196 1.404 RESID 299 (C): C 177.300 177.300 175.037 2.263 RESID 299 (C): CA 59.200 59.200 58.978 0.222 RESID 299 (C): CB 27.360 27.360 29.256 -1.896 RESID 300 (L): N 121.300 121.300 122.263 -0.963 RESID 300 (L): C 179.000 179.000 177.945 1.055 RESID 300 (L): CA 54.960 54.960 57.450 -2.490 RESID 300 (L): CB 40.740 40.740 41.470 -0.730 RESID 301 (N): N 119.000 119.000 119.241 -0.241 RESID 301 (N): C 176.600 176.600 174.215 2.385 RESID 301 (N): CA 53.300 53.300 57.765 -4.465 RESID 301 (N): CB 36.760 36.760 36.746 0.014 RESID 302 (P): CA 58.860 58.860 65.474 -6.614 RESID 303 (I): N 120.900 120.900 118.930 1.970 RESID 303 (I): C 173.700 173.700 178.021 -4.321 RESID 303 (I): CA 66.500 66.500 65.254 1.246 RESID 303 (I): CB 36.650 36.650 38.112 -1.462 RESID 304 (I): N 120.400 120.400 120.226 0.174 RESID 304 (I): C 175.900 175.900 177.682 -1.782 RESID 304 (I): CA 65.800 65.800 65.202 0.598 RESID 304 (I): CB 36.330 36.330 37.789 -1.459 RESID 305 (Y): N 120.300 120.300 119.395 0.905 RESID 305 (Y): C 174.800 174.800 177.346 -2.546 RESID 305 (Y): CA 56.700 56.700 62.141 -5.441 RESID 305 (Y): CB 37.900 37.900 37.638 0.262 RESID 306 (A): N 123.300 123.300 121.099 2.201 RESID 306 (A): C 172.000 172.000 179.322 -7.322 RESID 306 (A): CA 54.350 54.350 54.578 -0.228 RESID 306 (A): CB 16.400 16.400 18.181 -1.781 RESID 307 (F): N 120.400 120.400 117.894 2.506 RESID 307 (F): C 175.900 175.900 177.288 -1.388 RESID 307 (F): CA 60.250 60.250 61.761 -1.511 RESID 307 (F): CB 40.200 40.200 38.922 1.278 RESID 308 (I): N 120.700 120.700 116.033 4.667 RESID 308 (I): C 177.200 177.200 177.182 0.018 RESID 308 (I): CA 64.550 64.550 63.366 1.184 RESID 308 (I): CB 36.600 36.600 38.149 -1.549 RESID 309 (G): N 111.300 111.300 105.345 5.955 RESID 309 (G): C 174.000 174.000 174.096 -0.096 RESID 309 (G): CA 41.600 41.600 45.178 -3.578 RESID 310 (Q): N 119.400 119.400 116.569 2.831 RESID 310 (Q): C 176.200 176.200 176.174 0.026 RESID 310 (Q): CA 57.800 57.800 56.593 1.207 RESID 310 (Q): CB 31.900 31.900 29.516 2.384 RESID 311 (N): N 120.100 120.100 118.739 1.361 RESID 311 (N): C 175.600 175.600 176.228 -0.628 RESID 311 (N): CA 55.500 55.500 54.722 0.778 RESID 311 (N): CB 38.800 38.800 37.831 0.969 RESID 312 (F): N 120.700 120.700 118.805 1.895 RESID 312 (F): C 175.400 175.400 176.932 -1.532 RESID 312 (F): CA 58.300 58.300 60.889 -2.590 RESID 312 (F): CB 36.800 36.800 38.687 -1.887 RESID 313 (R): N 123.000 123.000 118.943 4.057 RESID 313 (R): C 174.500 174.500 178.509 -4.009 RESID 313 (R): CA 56.000 56.000 59.943 -3.943 RESID 313 (R): CB 29.300 29.300 29.928 -0.628 RESID 314 (H): N 122.100 122.100 115.924 6.176 RESID 314 (H): C 176.300 176.300 177.472 -1.172 RESID 314 (H): CA 58.600 58.600 56.136 2.464 RESID 314 (H): CB 29.900 29.900 29.442 0.458 RESID 315 (G): N 109.700 109.700 108.773 0.927 RESID 315 (G): C 174.100 174.100 175.476 -1.376 RESID 315 (G): CA 47.200 47.200 46.721 0.479 RESID 316 (F): N 123.600 123.600 119.773 3.827 RESID 316 (F): C 176.200 176.200 177.567 -1.367 RESID 316 (F): CA 58.200 58.200 59.657 -1.457 RESID 317 (L): N 122.000 122.000 120.674 1.326 RESID 317 (L): C 176.600 176.600 178.224 -1.624 RESID 317 (L): CA 55.700 55.700 57.817 -2.117 RESID 317 (L): CB 40.200 40.200 42.046 -1.846 RESID 318 (K): N 121.800 121.800 119.951 1.849 RESID 318 (K): C 177.500 177.500 178.923 -1.423 RESID 318 (K): CA 56.200 56.200 59.864 -3.663 RESID 318 (K): CB 30.000 30.000 32.168 -2.168 RESID 319 (I): N 120.600 120.600 116.628 3.972 RESID 319 (I): C 176.000 176.000 177.807 -1.807 RESID 319 (I): CA 65.200 65.200 64.217 0.983 RESID 319 (I): CB 36.400 36.400 37.678 -1.278 RESID 320 (L): N 121.900 121.900 121.014 0.886 RESID 320 (L): C 176.800 176.800 178.353 -1.553 RESID 320 (L): CA 56.200 56.200 57.878 -1.678 RESID 320 (L): CB 40.000 40.000 41.997 -1.997 RESID 321 (A): N 123.000 123.000 120.636 2.364 RESID 321 (A): C 177.100 177.100 178.272 -1.172 RESID 321 (A): CA 55.000 55.000 54.217 0.783 RESID 321 (A): CB 18.000 18.000 18.829 -0.829 RESID 322 (M): N 120.400 120.400 116.384 4.016 RESID 322 (M): C 173.300 173.300 176.142 -2.842 RESID 322 (M): CA 56.100 56.100 55.707 0.393 RESID 323 (H): N 120.700 120.700 114.628 6.072 RESID 323 (H): C 173.200 173.200 175.817 -2.617 RESID 323 (H): CA 57.000 57.000 58.011 -1.011 RESID 323 (H): CB 29.700 29.700 27.535 2.164 N HA C CA CB H RESID 31 (M): 1.185 ----- -2.305 1.916 0.576 ----- RESID 32 (L): 5.896 ----- -4.518 -2.833 -2.231 ----- RESID 33 (E): 12.042 ----- -2.978 -0.559 0.661 ----- RESID 34 (T): -0.692 ----- -2.844 2.063 -2.771 ----- RESID 35 (E): 0.785 ----- -8.248 -2.831 -1.723 ----- RESID 36 (T): -7.565 ----- 0.333 0.628 ----- ----- RESID 37 (L): 5.383 ----- 0.583 1.530 0.141 ----- RESID 38 (N): 0.651 ----- 0.720 -0.166 2.394 ----- RESID 39 (K): 1.288 ----- -4.041 -2.581 -2.261 ----- RESID 40 (Y): 1.059 ----- -0.674 -1.716 1.978 ----- RESID 41 (V): 2.276 ----- -1.052 -1.277 -1.716 ----- RESID 42 (V): 0.032 ----- -2.087 -1.110 -1.396 ----- RESID 43 (I): 1.534 ----- -0.900 -0.206 -0.301 ----- RESID 44 (I): -0.100 ----- -2.445 -5.949 -0.079 ----- RESID 45 (A): -0.650 ----- -3.778 -2.589 -1.167 ----- RESID 46 (Y): 0.961 ----- -2.403 -3.138 1.976 ----- RESID 47 (A): 2.191 ----- -4.696 -1.640 -2.745 ----- RESID 48 (L): -0.930 ----- -1.845 -1.147 ----- ----- RESID 49 (V): -2.383 ----- 2.303 0.986 -1.497 ----- RESID 50 (F): 5.651 ----- -6.112 1.068 3.892 ----- RESID 51 (L): 2.879 ----- -1.844 -2.199 -1.810 ----- RESID 52 (L): 5.715 ----- -4.882 -2.430 -1.658 ----- RESID 53 (S): 3.837 ----- -3.681 -2.472 ----- ----- RESID 54 (L): -0.392 ----- -1.436 -1.617 -1.866 ----- RESID 55 (L): 8.611 ----- -1.598 -1.661 -0.911 ----- RESID 56 (G): 2.444 ----- -0.858 0.608 ----- ----- RESID 57 (N): -2.105 ----- -0.345 -0.992 1.200 ----- RESID 58 (S): -5.393 ----- 3.399 -1.823 0.591 ----- RESID 59 (L): -0.856 ----- -1.239 -1.366 0.198 ----- RESID 60 (V): -1.159 ----- -3.253 -1.210 -1.879 ----- RESID 61 (M): -1.160 ----- -1.842 -2.998 ----- ----- RESID 62 (L): 2.746 ----- -1.498 -1.512 -2.585 ----- RESID 63 (V): 1.037 ----- ----- -1.524 -1.475 ----- RESID 64 (I): 3.145 ----- -4.368 1.649 0.153 ----- RESID 65 (L): -3.210 ----- -4.778 -2.121 -2.925 ----- RESID 66 (Y): 3.248 ----- 2.024 0.863 1.199 ----- RESID 67 (S): 0.306 ----- -0.371 2.855 -2.183 ----- RESID 68 (R): -6.476 ----- -2.042 1.473 ----- ----- RESID 69 (V): 6.422 ----- -1.178 3.313 -1.512 ----- RESID 70 (G): 3.899 ----- 0.457 -2.571 ----- ----- RESID 71 (R): 0.851 ----- 1.263 2.279 0.997 ----- RESID 72 (S): 1.606 ----- -1.015 1.134 ----- ----- RESID 73 (V): 1.162 ----- -1.530 1.123 -2.015 ----- RESID 74 (T): 5.841 ----- 0.308 -0.438 ----- ----- RESID 75 (D): -0.656 ----- -1.320 -1.773 -0.368 ----- RESID 76 (V): 1.827 ----- -1.261 0.392 -1.171 ----- RESID 77 (Y): 4.025 ----- -2.079 -1.507 -1.389 ----- RESID 78 (L): 1.574 ----- -2.140 -1.627 -0.867 ----- RESID 79 (L): 5.898 ----- -2.577 -2.554 -0.729 ----- RESID 80 (N): 4.052 ----- 0.607 0.366 0.773 ----- RESID 81 (L): 2.835 ----- -1.884 -1.851 -3.461 ----- RESID 82 (A): 2.644 ----- -2.538 -1.584 -0.019 ----- RESID 83 (L): 2.348 ----- -2.663 -1.823 -1.202 ----- RESID 84 (A): 2.131 ----- -2.866 -0.995 -1.302 ----- RESID 85 (D): 0.899 ----- -0.110 -0.544 -1.096 ----- RESID 86 (L): 1.510 ----- -5.525 -1.881 -1.895 ----- RESID 87 (L): 3.166 ----- -3.107 -2.139 -1.787 ----- RESID 88 (F): 0.605 ----- -3.404 -4.961 1.117 ----- RESID 89 (A): 5.611 ----- -6.959 -1.649 -1.283 ----- RESID 90 (L): 1.357 ----- -5.196 -1.204 -1.871 ----- RESID 91 (T): 2.225 ----- 0.792 -4.965 0.917 ----- RESID 92 (L): -0.340 ----- -0.495 -5.092 1.598 ----- RESID 94 (I): 5.487 ----- -1.014 -0.191 -0.804 ----- RESID 95 (W): -1.835 ----- -0.696 -1.845 0.077 ----- RESID 96 (A): 4.897 ----- -0.415 -1.427 2.818 ----- RESID 97 (A): 2.262 ----- -1.789 -1.009 -1.310 ----- RESID 98 (S): -2.954 ----- ----- 2.583 ----- ----- RESID 99 (K): 0.011 ----- -1.279 -1.826 -2.322 ----- RESID 100 (V): 0.540 ----- -1.292 -0.590 -2.013 ----- RESID 101 (N): -0.887 ----- -2.749 -2.126 0.912 ----- RESID 102 (G): 3.179 ----- 0.764 0.959 ----- ----- RESID 103 (W): -1.387 ----- -0.727 1.827 -0.768 ----- RESID 104 (I): 7.534 ----- 1.246 0.973 -4.660 ----- RESID 105 (F): 1.791 ----- 2.825 -1.983 -0.057 ----- RESID 106 (G): -2.824 ----- 1.500 -2.542 ----- ----- RESID 107 (T): 0.493 ----- -1.251 -0.866 0.621 ----- RESID 108 (F): 3.363 ----- -3.427 -0.923 -0.972 ----- RESID 109 (L): 4.326 ----- -2.606 -2.215 0.830 ----- RESID 110 (C): -1.593 ----- -0.432 -6.694 14.058 ----- RESID 111 (K): 1.727 ----- -0.681 -1.371 -2.181 ----- RESID 112 (V): 6.886 ----- -3.446 3.488 ----- ----- RESID 113 (V): 6.720 ----- -8.458 1.405 ----- ----- RESID 114 (S): 3.044 ----- -1.188 -1.251 -0.203 ----- RESID 115 (L): -3.505 ----- -4.637 -2.284 -1.498 ----- RESID 116 (L): 8.139 ----- -0.638 -1.751 -1.595 ----- RESID 117 (K): 0.698 ----- -5.175 -3.160 -2.284 ----- RESID 118 (E): 1.256 ----- -1.344 -3.658 -0.901 ----- RESID 119 (V): 5.535 ----- -3.602 -0.187 -2.085 ----- RESID 120 (N): 1.281 ----- -3.169 0.189 0.678 ----- RESID 121 (F): 3.223 ----- -2.664 -1.261 -1.793 ----- RESID 122 (Y): 4.737 ----- -2.012 3.835 0.726 ----- RESID 123 (S): 7.604 ----- -2.719 -4.266 -2.699 ----- RESID 124 (G): -1.446 ----- -4.997 -4.306 ----- ----- RESID 125 (I): -3.558 ----- -3.098 -2.173 -1.347 ----- RESID 126 (L): 1.624 ----- -4.997 -1.605 ----- ----- RESID 127 (L): 5.615 ----- -2.157 -2.864 0.361 ----- RESID 128 (L): 1.189 ----- -2.143 -1.356 -1.152 ----- RESID 129 (A): 3.766 ----- -3.927 -1.949 -0.773 ----- RESID 130 (C): 2.926 ----- -0.044 -2.235 2.330 ----- RESID 131 (I): -1.401 ----- -3.281 -1.973 -1.497 ----- RESID 132 (S): 1.976 ----- -1.066 2.484 3.636 ----- RESID 133 (V): 7.948 ----- 0.963 1.674 ----- ----- RESID 134 (D): 4.876 ----- -4.434 0.845 -0.369 ----- RESID 135 (R): 4.118 ----- -4.423 -0.247 1.009 ----- RESID 136 (Y): 2.905 ----- -1.557 0.436 0.201 ----- RESID 137 (L): 7.166 ----- -5.179 -2.023 0.365 ----- RESID 138 (A): 5.005 ----- -2.037 -1.305 -1.612 ----- RESID 139 (I): 3.132 ----- 0.764 -1.557 -9.359 ----- RESID 140 (V): 4.229 ----- -1.597 1.304 -3.169 ----- RESID 141 (H): -4.664 ----- 3.684 3.230 0.329 ----- RESID 142 (A): -4.326 ----- -2.418 0.428 -1.420 ----- RESID 143 (T): 2.517 ----- 2.538 -2.042 -3.498 ----- RESID 144 (R): ----- ----- ----- 0.296 -1.466 ----- RESID 145 (T): 8.940 ----- 2.943 0.315 -5.656 ----- RESID 146 (L): 2.834 ----- -2.081 0.540 -0.812 ----- RESID 147 (T): 8.999 ----- 4.126 0.830 -7.809 ----- RESID 148 (Q): 1.409 ----- 0.049 -2.938 -0.568 ----- RESID 149 (K): -2.560 ----- -2.557 0.225 ----- ----- RESID 150 (R): 3.630 ----- -0.793 -2.513 1.849 ----- RESID 151 (H): 1.309 ----- 0.619 1.055 1.037 ----- RESID 152 (L): -0.294 ----- -1.553 -1.865 -1.559 ----- RESID 153 (V): 3.399 ----- -3.505 -4.752 ----- ----- RESID 154 (K): -4.118 ----- -3.343 0.038 ----- ----- RESID 155 (F): 1.187 ----- -0.792 -0.254 ----- ----- RESID 156 (V): 3.866 ----- 0.299 -4.133 2.417 ----- RESID 157 (C): ----- ----- ----- -4.424 ----- ----- RESID 158 (L): 2.208 ----- -3.314 -1.837 ----- ----- RESID 159 (G): -1.518 ----- -0.153 -2.322 ----- ----- RESID 160 (C): -4.510 ----- 4.129 -2.996 2.644 ----- RESID 161 (W): -1.936 ----- -4.043 -5.405 ----- ----- RESID 162 (G): 2.025 ----- -2.332 -2.239 ----- ----- RESID 163 (L): -2.451 ----- -5.305 -1.611 -1.344 ----- RESID 164 (S): 2.271 ----- -1.980 -5.660 2.286 ----- RESID 165 (M): -1.610 ----- -2.129 -1.085 -2.845 ----- RESID 166 (N): 3.250 ----- -0.318 0.534 0.729 ----- RESID 167 (L): 1.039 ----- -0.641 7.781 -6.145 ----- RESID 168 (S): 4.714 ----- -2.381 -4.538 -5.891 ----- RESID 169 (L): -1.589 ----- 1.826 -3.691 -0.085 ----- RESID 171 (F): 1.090 ----- -2.591 1.466 ----- ----- RESID 172 (F): 0.795 ----- -2.699 -0.888 3.310 ----- RESID 173 (L): 1.967 ----- -0.336 -2.767 -4.301 ----- RESID 174 (F): 12.064 ----- 2.136 2.434 4.063 ----- RESID 175 (R): -3.605 ----- 1.018 -0.662 ----- ----- RESID 176 (Q): 3.273 ----- 4.247 -2.069 ----- ----- RESID 177 (A): 4.083 ----- 1.942 2.267 -3.679 ----- RESID 178 (Y): 2.905 ----- -1.172 -0.355 0.842 ----- RESID 179 (H): 1.387 ----- 3.436 6.565 2.637 ----- RESID 181 (N): 2.289 ----- -1.748 3.253 -5.547 ----- RESID 182 (N): -6.975 ----- 2.434 0.573 ----- ----- RESID 183 (S): 1.960 ----- 2.458 -2.366 0.465 ----- RESID 184 (S): 1.452 ----- 2.876 -1.099 -1.984 ----- RESID 186 (V): 3.105 ----- 0.914 4.945 -1.607 ----- RESID 187 (C): -9.427 ----- 2.828 -3.122 10.750 ----- RESID 188 (Y): -2.364 ----- 2.878 0.527 -0.397 ----- RESID 189 (E): 2.407 ----- 0.326 1.985 2.017 ----- RESID 190 (V): 7.207 ----- -4.190 2.734 -3.120 ----- RESID 191 (L): 2.793 ----- ----- -1.115 ----- ----- RESID 192 (G): 5.275 ----- 0.866 0.561 ----- ----- RESID 193 (N): -0.265 ----- ----- -2.516 0.654 ----- RESID 194 (D): 7.480 ----- -3.464 -0.494 0.237 ----- RESID 195 (T): 5.809 ----- -0.158 -1.823 ----- ----- RESID 196 (A): -0.056 ----- -5.232 -0.592 -1.512 ----- RESID 197 (K): 7.586 ----- 0.004 2.941 -3.114 ----- RESID 198 (W): 3.163 ----- 1.092 2.146 4.094 ----- RESID 199 (R): 2.906 ----- -0.104 -3.817 1.109 ----- RESID 200 (M): 0.625 ----- -2.241 -1.055 -1.497 ----- RESID 201 (V): 6.602 ----- -2.679 -0.033 -1.666 ----- RESID 202 (L): 3.149 ----- -5.465 -3.172 ----- ----- RESID 203 (R): 6.688 ----- -2.331 -2.673 2.065 ----- RESID 204 (I): 0.496 ----- -1.854 1.240 -1.918 ----- RESID 205 (L): 1.956 ----- 0.381 -5.850 ----- ----- RESID 206 (P): ----- ----- ----- -3.834 ----- ----- RESID 207 (H): -4.796 ----- -1.845 -6.281 -0.008 ----- RESID 208 (T): 5.466 ----- 1.528 -3.543 ----- ----- RESID 209 (F): -2.232 ----- -2.400 2.521 ----- ----- RESID 210 (G): 4.597 ----- 0.229 -1.098 ----- ----- RESID 211 (F): 0.689 ----- -1.194 -3.138 ----- ----- RESID 212 (I): 0.062 ----- -1.696 -0.442 -0.448 ----- RESID 213 (V): 4.474 ----- 0.258 -2.061 0.452 ----- RESID 215 (L): 5.891 ----- -0.622 -1.894 -1.066 ----- RESID 216 (F): 8.154 ----- 1.299 1.231 -0.079 ----- RESID 217 (V): -1.223 ----- -2.595 -0.805 -0.997 ----- RESID 218 (M): -0.304 ----- -4.402 -4.150 -0.137 ----- RESID 219 (L): 1.363 ----- -1.781 -2.517 0.070 ----- RESID 220 (F): 5.238 ----- -2.286 0.659 ----- ----- RESID 221 (C): -0.238 ----- -1.485 -0.541 ----- ----- RESID 222 (Y): -1.068 ----- -0.528 -2.457 -0.310 ----- RESID 223 (G): 3.904 ----- -1.495 -5.255 ----- ----- RESID 224 (F): -0.601 ----- -1.953 0.905 -2.349 ----- RESID 225 (T): 3.784 ----- -1.261 -1.643 ----- ----- RESID 226 (L): 1.687 ----- -1.296 -0.465 -1.702 ----- RESID 227 (R): 0.311 ----- -0.619 -4.152 -1.535 ----- RESID 228 (T): 8.223 ----- 1.361 1.903 -4.113 ----- RESID 229 (L): -0.214 ----- 0.920 2.043 1.667 ----- RESID 230 (F): 0.024 ----- 0.751 -1.750 3.408 ----- RESID 231 (K): 2.664 ----- -1.011 0.204 -1.330 ----- RESID 232 (A): 0.645 ----- 0.802 0.977 2.879 ----- RESID 233 (H): 4.799 ----- 2.931 1.210 0.215 ----- RESID 234 (M): -1.565 ----- 0.139 1.846 -1.708 ----- RESID 235 (G): -0.999 ----- -1.041 -2.968 ----- ----- RESID 236 (Q): -4.562 ----- -3.740 -1.945 -2.880 ----- RESID 237 (K): 2.573 ----- 0.473 -3.503 -1.265 ----- RESID 238 (H): 9.026 ----- 0.639 -2.076 -1.677 ----- RESID 239 (R): 0.424 ----- -0.932 -3.841 1.192 ----- RESID 240 (A): -0.070 ----- -3.572 -2.113 -1.116 ----- RESID 241 (M): 2.408 ----- -2.294 -0.602 -0.390 ----- RESID 242 (R): 3.142 ----- -1.621 -2.156 1.698 ----- RESID 243 (V): -1.150 ----- -2.055 -0.037 -1.466 ----- RESID 244 (I): -1.068 ----- -2.361 -1.172 -0.927 ----- RESID 245 (F): -2.878 ----- -1.389 -1.214 0.665 ----- RESID 246 (A): -0.537 ----- -1.538 -2.340 -1.170 ----- RESID 247 (V): 5.431 ----- -2.990 0.569 -1.041 ----- RESID 248 (V): 1.032 ----- -1.204 -1.278 -0.644 ----- RESID 249 (L): -1.457 ----- -2.657 -1.490 -0.087 ----- RESID 250 (I): 3.055 ----- -0.699 -1.075 -0.250 ----- RESID 251 (F): 4.656 ----- -0.420 -1.149 ----- ----- RESID 252 (L): -0.315 ----- -2.455 -0.783 -0.588 ----- RESID 253 (L): -0.680 ----- -0.690 -1.795 -1.806 ----- RESID 254 (C): 4.913 ----- 0.170 -3.216 -1.197 ----- RESID 255 (W): -0.927 ----- 1.252 -3.707 -0.589 ----- RESID 256 (L): 3.424 ----- 1.967 -4.348 0.342 ----- RESID 258 (Y): 5.366 ----- 1.884 -2.754 4.686 ----- RESID 259 (N): 5.057 ----- -4.181 -0.892 0.625 ----- RESID 260 (L): 1.010 ----- -3.268 -1.909 -2.800 ----- RESID 261 (V): -0.349 ----- -2.391 -0.632 -2.195 ----- RESID 262 (L): 0.403 ----- -1.473 -2.750 -1.613 ----- RESID 263 (L): 4.781 ----- -2.584 -2.687 -0.556 ----- RESID 264 (A): 0.733 ----- -4.581 -2.353 -2.035 ----- RESID 265 (D): 7.277 ----- -7.904 -0.879 ----- ----- RESID 266 (T): 4.285 ----- -0.869 -6.032 ----- ----- RESID 267 (L): 1.526 ----- -1.111 -0.787 -2.074 ----- RESID 268 (M): 3.218 ----- 1.134 2.726 0.403 ----- RESID 269 (R): -2.161 ----- -0.836 -0.639 0.705 ----- RESID 270 (T): 10.974 ----- 1.909 0.256 ----- ----- RESID 271 (Q): 3.628 ----- 0.622 3.541 ----- ----- RESID 272 (V): 4.435 ----- 0.433 0.512 5.040 ----- RESID 273 (I): 1.485 ----- 2.198 2.594 -2.812 ----- RESID 274 (Q): 3.153 ----- 0.453 -0.032 ----- ----- RESID 275 (E): 5.979 ----- 1.952 -1.280 -2.005 ----- RESID 276 (S): -4.814 ----- ----- 0.647 0.103 ----- RESID 277 (C): -3.204 ----- -1.567 -7.795 -1.205 ----- RESID 278 (E): 0.125 ----- -3.467 -1.037 -0.199 ----- RESID 279 (R): 2.365 ----- -1.776 -1.752 -0.087 ----- RESID 280 (R): 7.686 ----- -1.941 -1.636 -1.447 ----- RESID 281 (N): 2.060 ----- -2.006 -3.906 -0.460 ----- RESID 282 (N): 3.492 ----- -0.092 0.091 0.697 ----- RESID 283 (I): 3.423 ----- -1.595 2.184 -1.264 ----- RESID 284 (G): 5.179 ----- 0.739 -3.858 ----- ----- RESID 286 (A): 1.633 ----- -1.031 -0.783 -1.619 ----- RESID 287 (L): 6.927 ----- -2.360 -1.546 -1.555 ----- RESID 288 (D): -1.551 ----- -1.417 -0.346 ----- ----- RESID 289 (A): 2.836 ----- -1.939 -2.164 -1.388 ----- RESID 290 (T): 1.437 ----- 0.658 -1.525 ----- ----- RESID 291 (E): -1.650 ----- -1.764 -2.103 0.087 ----- RESID 292 (I): 0.983 ----- -2.557 -0.993 -1.213 ----- RESID 293 (L): 2.452 ----- -3.900 -1.958 -1.428 ----- RESID 294 (G): 1.166 ----- -2.469 -1.769 ----- ----- RESID 295 (F): -0.456 ----- 0.618 0.939 ----- ----- RESID 296 (L): -0.405 ----- -1.659 -0.489 -1.074 ----- RESID 297 (H): 4.642 ----- 1.012 -0.055 0.797 ----- RESID 298 (S): 10.924 ----- 3.917 5.033 0.801 ----- RESID 299 (C): 1.404 ----- 2.263 0.222 -1.896 ----- RESID 300 (L): -0.963 ----- 1.055 -2.490 -0.730 ----- RESID 301 (N): -0.241 ----- 2.385 -4.465 0.014 ----- RESID 302 (P): ----- ----- ----- -6.614 ----- ----- RESID 303 (I): 1.970 ----- -4.321 1.246 -1.462 ----- RESID 304 (I): 0.174 ----- -1.782 0.598 -1.459 ----- RESID 305 (Y): 0.905 ----- -2.546 -5.441 0.262 ----- RESID 306 (A): 2.201 ----- -7.322 -0.228 -1.781 ----- RESID 307 (F): 2.506 ----- -1.388 -1.511 1.278 ----- RESID 308 (I): 4.667 ----- 0.018 1.184 -1.549 ----- RESID 309 (G): 5.955 ----- -0.096 -3.578 ----- ----- RESID 310 (Q): 2.831 ----- 0.026 1.207 2.384 ----- RESID 311 (N): 1.361 ----- -0.628 0.778 0.969 ----- RESID 312 (F): 1.895 ----- -1.532 -2.590 -1.887 ----- RESID 313 (R): 4.057 ----- -4.009 -3.943 -0.628 ----- RESID 314 (H): 6.176 ----- -1.172 2.464 0.458 ----- RESID 315 (G): 0.927 ----- -1.376 0.479 ----- ----- RESID 316 (F): 3.827 ----- -1.367 -1.457 ----- ----- RESID 317 (L): 1.326 ----- -1.624 -2.117 -1.846 ----- RESID 318 (K): 1.849 ----- -1.423 -3.663 -2.168 ----- RESID 319 (I): 3.972 ----- -1.807 0.983 -1.278 ----- RESID 320 (L): 0.886 ----- -1.553 -1.678 -1.997 ----- RESID 321 (A): 2.364 ----- -1.172 0.783 -0.829 ----- RESID 322 (M): 4.016 ----- -2.842 0.393 ----- ----- RESID 323 (H): 6.072 ----- -2.617 -1.011 2.164 ----- DATA CS_STAT_INFO N RMS: 3.896 ppm Count: 283 Average Difference: -2.007 +/- 3.344 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 2.594 ppm Count: 278 Average Difference: 1.302 +/- 2.248 ppm DATA CS_STAT_INFO CA RMS: 2.491 ppm Count: 287 Average Difference: 1.045 +/- 2.265 ppm DATA CS_STAT_INFO CB RMS: 2.539 ppm Count: 226 Average Difference: 0.512 +/- 2.492 ppm DATA CS_STAT_INFO HN RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm ############################################################################ For conformer 8: Atom Original Corrected SPARTA Difference RESID 30 (C): N 122.700 122.700 126.742 -4.042 RESID 30 (C): C 177.500 177.500 174.255 3.245 RESID 30 (C): CA 56.000 56.000 57.026 -1.026 RESID 30 (C): CB 40.300 40.300 25.020 15.280 RESID 31 (M): N 117.900 117.900 120.289 -2.389 RESID 31 (M): C 173.200 173.200 176.692 -3.492 RESID 31 (M): CA 58.150 58.150 54.427 3.723 RESID 31 (M): CB 31.100 31.100 31.767 -0.666 RESID 32 (L): N 125.300 125.300 118.423 6.877 RESID 32 (L): C 173.500 173.500 178.029 -4.529 RESID 32 (L): CA 53.780 53.780 56.426 -2.646 RESID 32 (L): CB 39.660 39.660 42.189 -2.529 RESID 33 (E): N 129.900 129.900 117.713 12.187 RESID 33 (E): C 173.200 173.200 176.345 -3.145 RESID 33 (E): CA 55.900 55.900 56.648 -0.748 RESID 33 (E): CB 31.000 31.000 30.248 0.751 RESID 34 (T): N 113.900 113.900 113.590 0.310 RESID 34 (T): C 172.500 172.500 175.395 -2.895 RESID 34 (T): CA 63.500 63.500 60.583 2.917 RESID 34 (T): CB 67.200 67.200 69.699 -2.499 RESID 35 (E): N 125.300 125.300 126.317 -1.017 RESID 35 (E): C 169.500 169.500 177.388 -7.888 RESID 35 (E): CA 55.840 55.840 58.470 -2.630 RESID 35 (E): CB 28.120 28.120 28.975 -0.855 RESID 36 (T): N 106.700 106.700 114.737 -8.037 RESID 36 (T): C 174.200 174.200 174.991 -0.791 RESID 36 (T): CA 65.000 65.000 64.966 0.034 RESID 37 (L): N 120.100 120.100 114.975 5.125 RESID 37 (L): C 177.500 177.500 176.878 0.622 RESID 37 (L): CA 56.400 56.400 54.811 1.589 RESID 37 (L): CB 39.800 39.800 39.781 0.019 RESID 38 (N): N 118.400 118.400 117.893 0.507 RESID 38 (N): C 177.600 177.600 177.277 0.323 RESID 38 (N): CA 55.900 55.900 56.112 -0.212 RESID 38 (N): CB 40.870 40.870 38.291 2.579 RESID 39 (K): N 121.500 121.500 120.349 1.151 RESID 39 (K): C 174.300 174.300 178.039 -3.739 RESID 39 (K): CA 56.700 56.700 59.093 -2.393 RESID 39 (K): CB 29.900 29.900 32.046 -2.146 RESID 40 (Y): N 120.100 120.100 119.287 0.813 RESID 40 (Y): C 176.800 176.800 177.622 -0.822 RESID 40 (Y): CA 58.200 58.200 60.950 -2.750 RESID 40 (Y): CB 40.000 40.000 38.152 1.848 RESID 41 (V): N 120.700 120.700 119.475 1.225 RESID 41 (V): C 176.000 176.000 177.968 -1.968 RESID 41 (V): CA 65.000 65.000 66.808 -1.808 RESID 41 (V): CB 29.750 29.750 31.232 -1.482 RESID 42 (V): N 121.200 121.200 120.466 0.734 RESID 42 (V): C 176.200 176.200 178.091 -1.891 RESID 42 (V): CA 65.560 65.560 66.877 -1.317 RESID 42 (V): CB 29.700 29.700 30.961 -1.261 RESID 43 (I): N 120.900 120.900 120.562 0.338 RESID 43 (I): C 177.000 177.000 177.469 -0.469 RESID 43 (I): CA 64.300 64.300 64.643 -0.343 RESID 43 (I): CB 36.600 36.600 37.301 -0.701 RESID 44 (I): N 120.500 120.500 121.172 -0.672 RESID 44 (I): C 175.000 175.000 176.735 -1.735 RESID 44 (I): CA 59.700 59.700 64.667 -4.967 RESID 44 (I): CB 37.000 37.000 37.341 -0.341 RESID 45 (A): N 121.600 121.600 122.772 -1.172 RESID 45 (A): C 175.700 175.700 179.902 -4.202 RESID 45 (A): CA 52.700 52.700 55.602 -2.902 RESID 45 (A): CB 16.600 16.600 17.994 -1.394 RESID 46 (Y): N 120.400 120.400 119.295 1.105 RESID 46 (Y): C 175.400 175.400 178.153 -2.753 RESID 46 (Y): CA 58.530 58.530 59.801 -1.271 RESID 46 (Y): CB 39.850 39.850 37.496 2.354 RESID 47 (A): N 124.700 124.700 122.667 2.033 RESID 47 (A): C 174.800 174.800 179.579 -4.779 RESID 47 (A): CA 53.800 53.800 55.416 -1.616 RESID 47 (A): CB 15.530 15.530 18.358 -2.828 RESID 48 (L): N 117.700 117.700 119.901 -2.201 RESID 48 (L): C 177.400 177.400 178.810 -1.410 RESID 48 (L): CA 56.860 56.860 57.878 -1.018 RESID 49 (V): N 118.400 118.400 119.952 -1.552 RESID 49 (V): C 181.100 181.100 178.228 2.872 RESID 49 (V): CA 67.800 67.800 66.710 1.090 RESID 49 (V): CB 29.900 29.900 31.426 -1.526 RESID 50 (F): N 124.700 124.700 120.250 4.450 RESID 50 (F): C 171.900 171.900 177.257 -5.357 RESID 50 (F): CA 61.600 61.600 60.367 1.233 RESID 50 (F): CB 42.620 42.620 39.277 3.343 RESID 51 (L): N 125.600 125.600 121.622 3.978 RESID 51 (L): C 176.600 176.600 178.166 -1.566 RESID 51 (L): CA 55.850 55.850 57.953 -2.103 RESID 51 (L): CB 40.220 40.220 40.827 -0.607 RESID 52 (L): N 122.800 122.800 116.603 6.197 RESID 52 (L): C 173.700 173.700 178.756 -5.056 RESID 52 (L): CA 56.300 56.300 58.857 -2.557 RESID 52 (L): CB 39.200 39.200 40.512 -1.312 RESID 53 (S): N 118.700 118.700 115.138 3.562 RESID 53 (S): C 173.000 173.000 176.738 -3.738 RESID 53 (S): CA 58.200 58.200 61.109 -2.909 RESID 54 (L): N 123.500 123.500 123.394 0.106 RESID 54 (L): C 176.800 176.800 178.313 -1.513 RESID 54 (L): CA 56.400 56.400 57.546 -1.146 RESID 54 (L): CB 40.000 40.000 41.373 -1.373 RESID 55 (L): N 124.600 124.600 116.683 7.917 RESID 55 (L): C 177.200 177.200 178.584 -1.384 RESID 55 (L): CA 56.000 56.000 57.305 -1.305 RESID 55 (L): CB 40.000 40.000 40.826 -0.826 RESID 56 (G): N 109.600 109.600 106.548 3.052 RESID 56 (G): C 174.800 174.800 175.068 -0.268 RESID 56 (G): CA 47.400 47.400 47.079 0.321 RESID 57 (N): N 118.200 118.200 118.183 0.017 RESID 57 (N): C 176.900 176.900 177.459 -0.559 RESID 57 (N): CA 55.700 55.700 56.023 -0.323 RESID 57 (N): CB 39.300 39.300 38.008 1.292 RESID 58 (S): N 111.300 111.300 116.441 -5.141 RESID 58 (S): C 180.100 180.100 176.298 3.802 RESID 58 (S): CA 59.900 59.900 61.403 -1.503 RESID 58 (S): CB 63.300 63.300 62.640 0.660 RESID 59 (L): N 121.100 121.100 122.002 -0.902 RESID 59 (L): C 177.400 177.400 178.807 -1.407 RESID 59 (L): CA 56.150 56.150 57.959 -1.809 RESID 59 (L): CB 41.000 41.000 41.275 -0.275 RESID 60 (V): N 119.300 119.300 118.439 0.861 RESID 60 (V): C 175.200 175.200 178.330 -3.130 RESID 60 (V): CA 65.400 65.400 66.320 -0.920 RESID 60 (V): CB 29.500 29.500 31.230 -1.730 RESID 61 (M): N 118.900 118.900 118.465 0.435 RESID 61 (M): C 176.500 176.500 178.316 -1.816 RESID 61 (M): CA 55.840 55.840 58.209 -2.369 RESID 62 (L): N 122.100 122.100 118.851 3.249 RESID 62 (L): C 177.700 177.700 178.552 -0.852 RESID 62 (L): CA 56.160 56.160 58.096 -1.937 RESID 62 (L): CB 39.110 39.110 41.578 -2.469 RESID 63 (V): N 121.100 121.100 120.219 0.881 RESID 63 (V): CA 64.850 64.850 66.330 -1.480 RESID 63 (V): CB 29.600 29.600 31.920 -2.320 RESID 64 (I): N 121.000 121.000 118.731 2.269 RESID 64 (I): C 175.100 175.100 179.098 -3.998 RESID 64 (I): CA 64.400 64.400 64.909 -0.509 RESID 64 (I): CB 36.600 36.600 37.631 -1.031 RESID 65 (L): N 119.000 119.000 121.696 -2.696 RESID 65 (L): C 173.800 173.800 177.673 -3.873 RESID 65 (L): CA 56.200 56.200 57.503 -1.303 RESID 65 (L): CB 39.300 39.300 41.800 -2.500 RESID 66 (Y): N 120.200 120.200 114.343 5.857 RESID 66 (Y): C 176.700 176.700 175.396 1.304 RESID 66 (Y): CA 58.340 58.340 58.820 -0.480 RESID 66 (Y): CB 40.000 40.000 38.518 1.482 RESID 67 (S): N 116.700 116.700 117.333 -0.633 RESID 67 (S): C 175.400 175.400 175.093 0.307 RESID 67 (S): CA 60.000 60.000 57.917 2.083 RESID 67 (S): CB 62.000 62.000 63.720 -1.720 RESID 68 (R): N 121.500 121.500 128.098 -6.598 RESID 68 (R): C 175.300 175.300 177.615 -2.315 RESID 68 (R): CA 60.400 60.400 58.516 1.884 RESID 69 (V): N 120.600 120.600 116.343 4.257 RESID 69 (V): C 174.600 174.600 176.017 -1.417 RESID 69 (V): CA 65.800 65.800 62.060 3.740 RESID 69 (V): CB 29.850 29.850 31.423 -1.573 RESID 70 (G): N 110.700 110.700 107.291 3.409 RESID 70 (G): C 174.400 174.400 174.120 0.280 RESID 70 (G): CA 41.700 41.700 44.240 -2.540 RESID 71 (R): N 122.900 122.900 121.238 1.662 RESID 71 (R): C 176.500 176.500 174.996 1.504 RESID 71 (R): CA 56.800 56.800 54.088 2.712 RESID 71 (R): CB 29.900 29.900 28.992 0.908 RESID 72 (S): N 117.300 117.300 114.114 3.186 RESID 72 (S): C 174.300 174.300 175.476 -1.176 RESID 72 (S): CA 57.800 57.800 56.439 1.361 RESID 73 (V): N 120.400 120.400 116.366 4.034 RESID 73 (V): C 175.700 175.700 176.628 -0.928 RESID 73 (V): CA 66.100 66.100 65.050 1.050 RESID 73 (V): CB 29.650 29.650 31.475 -1.825 RESID 74 (T): N 117.300 117.300 115.184 2.116 RESID 74 (T): C 175.800 175.800 175.914 -0.114 RESID 74 (T): CA 64.000 64.000 65.810 -1.810 RESID 75 (D): N 122.900 122.900 123.389 -0.489 RESID 75 (D): C 176.500 176.500 178.052 -1.552 RESID 75 (D): CA 56.000 56.000 57.932 -1.932 RESID 75 (D): CB 40.300 40.300 40.625 -0.325 RESID 76 (V): N 120.800 120.800 118.022 2.778 RESID 76 (V): C 175.600 175.600 177.961 -2.361 RESID 76 (V): CA 66.400 66.400 66.816 -0.416 RESID 76 (V): CB 30.400 30.400 31.601 -1.200 RESID 77 (Y): N 123.800 123.800 119.265 4.535 RESID 77 (Y): C 175.700 175.700 178.153 -2.453 RESID 77 (Y): CA 60.560 60.560 61.773 -1.213 RESID 77 (Y): CB 37.000 37.000 38.216 -1.216 RESID 78 (L): N 121.000 121.000 121.286 -0.286 RESID 78 (L): C 176.500 176.500 178.061 -1.561 RESID 78 (L): CA 55.900 55.900 57.585 -1.685 RESID 78 (L): CB 40.000 40.000 41.029 -1.029 RESID 79 (L): N 126.200 126.200 120.253 5.947 RESID 79 (L): C 176.000 176.000 178.800 -2.800 RESID 79 (L): CA 55.800 55.800 58.342 -2.542 RESID 79 (L): CB 40.240 40.240 40.832 -0.592 RESID 80 (N): N 121.300 121.300 118.174 3.126 RESID 80 (N): C 178.100 178.100 177.710 0.390 RESID 80 (N): CA 56.500 56.500 56.258 0.242 RESID 80 (N): CB 39.100 39.100 38.679 0.421 RESID 81 (L): N 124.100 124.100 122.467 1.633 RESID 81 (L): C 176.300 176.300 178.818 -2.518 RESID 81 (L): CA 56.000 56.000 57.564 -1.564 RESID 81 (L): CB 38.100 38.100 40.840 -2.740 RESID 82 (A): N 124.700 124.700 121.907 2.793 RESID 82 (A): C 177.500 177.500 179.456 -1.956 RESID 82 (A): CA 53.400 53.400 55.341 -1.941 RESID 82 (A): CB 18.300 18.300 18.307 -0.007 RESID 83 (L): N 121.400 121.400 120.002 1.398 RESID 83 (L): C 176.500 176.500 178.816 -2.316 RESID 83 (L): CA 55.900 55.900 57.963 -2.063 RESID 83 (L): CB 40.200 40.200 41.988 -1.788 RESID 84 (A): N 123.900 123.900 121.093 2.807 RESID 84 (A): C 176.600 176.600 179.551 -2.951 RESID 84 (A): CA 54.400 54.400 55.236 -0.836 RESID 84 (A): CB 16.600 16.600 17.693 -1.093 RESID 85 (D): N 120.300 120.300 119.764 0.536 RESID 85 (D): C 178.400 178.400 178.339 0.061 RESID 85 (D): CA 56.330 56.330 56.831 -0.500 RESID 85 (D): CB 39.850 39.850 41.248 -1.398 RESID 86 (L): N 122.700 122.700 121.781 0.919 RESID 86 (L): C 173.600 173.600 178.994 -5.394 RESID 86 (L): CA 56.300 56.300 58.337 -2.038 RESID 86 (L): CB 39.500 39.500 41.321 -1.821 RESID 87 (L): N 122.000 122.000 120.283 1.717 RESID 87 (L): C 175.600 175.600 179.202 -3.602 RESID 87 (L): CA 56.150 56.150 58.541 -2.392 RESID 87 (L): CB 40.000 40.000 41.670 -1.670 RESID 88 (F): N 119.200 119.200 118.371 0.829 RESID 88 (F): C 173.900 173.900 178.234 -4.334 RESID 88 (F): CA 55.900 55.900 60.303 -4.403 RESID 88 (F): CB 40.400 40.400 37.689 2.711 RESID 89 (A): N 126.600 126.600 121.759 4.841 RESID 89 (A): C 172.900 172.900 180.154 -7.254 RESID 89 (A): CA 53.100 53.100 54.975 -1.875 RESID 89 (A): CB 17.000 17.000 18.483 -1.483 RESID 90 (L): N 119.700 119.700 117.913 1.787 RESID 90 (L): C 172.500 172.500 177.834 -5.334 RESID 90 (L): CA 56.500 56.500 57.999 -1.499 RESID 90 (L): CB 39.900 39.900 42.225 -2.325 RESID 91 (T): N 115.300 115.300 110.598 4.702 RESID 91 (T): C 176.400 176.400 176.287 0.113 RESID 91 (T): CA 60.000 60.000 63.771 -3.771 RESID 91 (T): CB 69.500 69.500 68.922 0.578 RESID 92 (L): N 123.000 123.000 123.509 -0.509 RESID 92 (L): C 175.400 175.400 175.958 -0.558 RESID 92 (L): CA 55.600 55.600 60.348 -4.748 RESID 92 (L): CB 40.800 40.800 39.122 1.678 RESID 94 (I): N 121.000 121.000 115.459 5.541 RESID 94 (I): C 176.800 176.800 178.132 -1.332 RESID 94 (I): CA 64.300 64.300 62.498 1.802 RESID 94 (I): CB 36.600 36.600 36.610 -0.010 RESID 95 (W): N 120.500 120.500 123.280 -2.780 RESID 95 (W): C 176.700 176.700 177.675 -0.975 RESID 95 (W): CA 58.100 58.100 60.998 -2.898 RESID 95 (W): CB 29.000 29.000 29.352 -0.352 RESID 96 (A): N 126.300 126.300 120.582 5.718 RESID 96 (A): C 178.300 178.300 178.860 -0.560 RESID 96 (A): CA 52.400 52.400 53.997 -1.597 RESID 96 (A): CB 20.400 20.400 17.795 2.605 RESID 97 (A): N 123.200 123.200 120.509 2.691 RESID 97 (A): C 178.000 178.000 179.250 -1.250 RESID 97 (A): CA 53.600 53.600 54.690 -1.090 RESID 97 (A): CB 16.700 16.700 18.304 -1.604 RESID 98 (S): N 109.400 109.400 110.937 -1.537 RESID 98 (S): CA 63.000 63.000 60.095 2.905 RESID 99 (K): N 121.500 121.500 121.495 0.005 RESID 99 (K): C 177.300 177.300 178.722 -1.422 RESID 99 (K): CA 56.100 56.100 57.373 -1.273 RESID 99 (K): CB 30.700 30.700 33.703 -3.003 RESID 100 (V): N 121.200 121.200 120.766 0.434 RESID 100 (V): C 176.300 176.300 177.526 -1.226 RESID 100 (V): CA 64.900 64.900 65.672 -0.772 RESID 100 (V): CB 29.850 29.850 31.883 -2.033 RESID 101 (N): N 116.700 116.700 118.524 -1.824 RESID 101 (N): C 173.800 173.800 176.444 -2.644 RESID 101 (N): CA 52.300 52.300 54.557 -2.257 RESID 101 (N): CB 39.700 39.700 38.514 1.186 RESID 102 (G): N 109.500 109.500 105.904 3.596 RESID 102 (G): C 174.600 174.600 173.805 0.795 RESID 102 (G): CA 45.900 45.900 44.824 1.076 RESID 103 (W): N 117.700 117.700 119.862 -2.162 RESID 103 (W): C 173.900 173.900 174.533 -0.633 RESID 103 (W): CA 58.000 58.000 56.462 1.538 RESID 103 (W): CB 31.000 31.000 31.208 -0.208 RESID 104 (I): N 124.300 124.300 117.614 6.686 RESID 104 (I): C 175.700 175.700 175.003 0.697 RESID 104 (I): CA 60.400 60.400 60.221 0.179 RESID 104 (I): CB 35.600 35.600 40.456 -4.856 RESID 105 (F): N 121.100 121.100 119.649 1.451 RESID 105 (F): C 177.200 177.200 175.049 2.151 RESID 105 (F): CA 55.700 55.700 57.433 -1.733 RESID 105 (F): CB 40.500 40.500 40.953 -0.453 RESID 106 (G): N 110.000 110.000 111.249 -1.249 RESID 106 (G): C 174.500 174.500 172.896 1.604 RESID 106 (G): CA 41.900 41.900 45.048 -3.148 RESID 107 (T): N 114.700 114.700 115.345 -0.645 RESID 107 (T): C 173.500 173.500 175.001 -1.501 RESID 107 (T): CA 60.500 60.500 61.523 -1.023 RESID 107 (T): CB 69.700 69.700 69.222 0.478 RESID 108 (F): N 124.200 124.200 123.549 0.651 RESID 108 (F): C 173.500 173.500 176.836 -3.336 RESID 108 (F): CA 60.000 60.000 59.940 0.060 RESID 108 (F): CB 37.030 37.030 37.630 -0.600 RESID 109 (L): N 123.200 123.200 120.173 3.027 RESID 109 (L): C 176.000 176.000 178.787 -2.787 RESID 109 (L): CA 55.500 55.500 58.368 -2.868 RESID 109 (L): CB 40.900 40.900 39.865 1.035 RESID 110 (C): N 117.600 117.600 117.801 -0.201 RESID 110 (C): C 176.700 176.700 177.803 -1.103 RESID 110 (C): CA 55.700 55.700 61.507 -5.807 RESID 110 (C): CB 39.400 39.400 26.260 13.140 RESID 111 (K): N 121.600 121.600 120.347 1.253 RESID 111 (K): C 176.400 176.400 176.747 -0.347 RESID 111 (K): CA 57.300 57.300 59.004 -1.704 RESID 111 (K): CB 30.000 30.000 32.505 -2.506 RESID 112 (V): N 123.600 123.600 116.832 6.768 RESID 112 (V): C 174.100 174.100 177.694 -3.594 RESID 112 (V): CA 68.000 68.000 64.009 3.991 RESID 113 (V): N 127.800 127.800 121.377 6.423 RESID 113 (V): C 169.600 169.600 178.049 -8.449 RESID 113 (V): CA 68.800 68.800 67.736 1.064 RESID 114 (S): N 117.500 117.500 114.315 3.185 RESID 114 (S): C 175.200 175.200 176.155 -0.955 RESID 114 (S): CA 60.200 60.200 61.096 -0.896 RESID 114 (S): CB 61.890 61.890 63.356 -1.466 RESID 115 (L): N 120.000 120.000 123.048 -3.048 RESID 115 (L): C 173.700 173.700 178.340 -4.640 RESID 115 (L): CA 55.900 55.900 58.350 -2.450 RESID 115 (L): CB 40.600 40.600 41.343 -0.744 RESID 116 (L): N 126.000 126.000 114.811 11.189 RESID 116 (L): C 177.800 177.800 178.842 -1.042 RESID 116 (L): CA 55.900 55.900 57.949 -2.049 RESID 116 (L): CB 40.250 40.250 40.801 -0.551 RESID 117 (K): N 120.900 120.900 121.206 -0.306 RESID 117 (K): C 173.200 173.200 178.947 -5.747 RESID 117 (K): CA 57.000 57.000 59.992 -2.992 RESID 117 (K): CB 29.800 29.800 32.032 -2.232 RESID 118 (E): N 118.900 118.900 118.824 0.076 RESID 118 (E): C 177.100 177.100 179.205 -2.105 RESID 118 (E): CA 55.300 55.300 59.758 -4.458 RESID 118 (E): CB 28.000 28.000 29.539 -1.539 RESID 119 (V): N 123.400 123.400 117.170 6.230 RESID 119 (V): C 173.600 173.600 177.124 -3.524 RESID 119 (V): CA 65.330 65.330 66.736 -1.406 RESID 119 (V): CB 29.250 29.250 32.037 -2.787 RESID 120 (N): N 120.300 120.300 118.764 1.536 RESID 120 (N): C 174.500 174.500 177.288 -2.788 RESID 120 (N): CA 55.800 55.800 56.130 -0.330 RESID 120 (N): CB 38.900 38.900 38.376 0.524 RESID 121 (F): N 123.600 123.600 121.652 1.948 RESID 121 (F): C 175.500 175.500 177.071 -1.571 RESID 121 (F): CA 60.500 60.500 60.755 -0.255 RESID 121 (F): CB 37.000 37.000 38.975 -1.975 RESID 122 (Y): N 120.500 120.500 118.632 1.868 RESID 122 (Y): C 176.100 176.100 177.371 -1.271 RESID 122 (Y): CA 60.900 60.900 59.858 1.042 RESID 122 (Y): CB 37.300 37.300 38.167 -0.867 RESID 123 (S): N 124.600 124.600 116.936 7.664 RESID 123 (S): C 173.900 173.900 176.440 -2.540 RESID 123 (S): CA 57.740 57.740 62.308 -4.568 RESID 123 (S): CB 59.870 59.870 62.690 -2.820 RESID 124 (G): N 107.700 107.700 108.857 -1.157 RESID 124 (G): C 171.000 171.000 175.673 -4.673 RESID 124 (G): CA 42.750 42.750 46.994 -4.244 RESID 125 (I): N 119.500 119.500 121.807 -2.307 RESID 125 (I): C 175.200 175.200 178.016 -2.816 RESID 125 (I): CA 62.950 62.950 64.263 -1.313 RESID 125 (I): CB 36.960 36.960 37.557 -0.597 RESID 126 (L): N 122.300 122.300 120.122 2.178 RESID 126 (L): C 173.600 173.600 178.496 -4.896 RESID 126 (L): CA 56.250 56.250 57.406 -1.155 RESID 127 (L): N 126.500 126.500 120.429 6.071 RESID 127 (L): C 176.100 176.100 177.906 -1.806 RESID 127 (L): CA 55.220 55.220 58.371 -3.151 RESID 127 (L): CB 41.670 41.670 41.527 0.143 RESID 128 (L): N 121.000 121.000 119.055 1.945 RESID 128 (L): C 175.600 175.600 177.764 -2.164 RESID 128 (L): CA 57.170 57.170 57.861 -0.691 RESID 128 (L): CB 40.300 40.300 41.372 -1.072 RESID 129 (A): N 125.800 125.800 122.395 3.405 RESID 129 (A): C 176.000 176.000 179.552 -3.552 RESID 129 (A): CA 52.970 52.970 55.130 -2.160 RESID 129 (A): CB 17.000 17.000 17.412 -0.412 RESID 130 (C): N 120.300 120.300 117.513 2.787 RESID 130 (C): C 177.000 177.000 177.195 -0.195 RESID 130 (C): CA 62.070 62.070 63.690 -1.620 RESID 130 (C): CB 29.880 29.880 27.277 2.603 RESID 131 (I): N 121.300 121.300 122.232 -0.932 RESID 131 (I): C 174.000 174.000 177.622 -3.622 RESID 131 (I): CA 63.080 63.080 66.180 -3.100 RESID 131 (I): CB 36.220 36.220 37.537 -1.317 RESID 132 (S): N 117.700 117.700 115.941 1.759 RESID 132 (S): C 175.100 175.100 176.922 -1.822 RESID 132 (S): CA 63.990 63.990 62.318 1.672 RESID 132 (S): CB 66.120 66.120 62.566 3.554 RESID 133 (V): N 129.800 129.800 123.057 6.743 RESID 133 (V): C 177.700 177.700 177.450 0.250 RESID 133 (V): CA 68.050 68.050 67.360 0.690 RESID 134 (D): N 124.000 124.000 119.966 4.034 RESID 134 (D): C 174.100 174.100 179.065 -4.965 RESID 134 (D): CA 57.500 57.500 56.974 0.526 RESID 134 (D): CB 40.400 40.400 40.137 0.263 RESID 135 (R): N 124.200 124.200 120.414 3.786 RESID 135 (R): C 174.400 174.400 178.669 -4.269 RESID 135 (R): CA 58.420 58.420 58.055 0.365 RESID 135 (R): CB 30.700 30.700 29.590 1.110 RESID 136 (Y): N 121.000 121.000 119.663 1.337 RESID 136 (Y): C 176.400 176.400 178.782 -2.382 RESID 136 (Y): CA 60.250 60.250 61.736 -1.486 RESID 136 (Y): CB 37.350 37.350 38.266 -0.916 RESID 137 (L): N 121.400 121.400 115.856 5.544 RESID 137 (L): C 173.700 173.700 178.520 -4.820 RESID 137 (L): CA 54.870 54.870 57.439 -2.569 RESID 137 (L): CB 41.670 41.670 41.403 0.267 RESID 138 (A): N 125.800 125.800 121.183 4.617 RESID 138 (A): C 176.100 176.100 178.220 -2.120 RESID 138 (A): CA 52.860 52.860 54.255 -1.395 RESID 138 (A): CB 17.270 17.270 18.989 -1.720 RESID 139 (I): N 120.000 120.000 116.906 3.094 RESID 139 (I): C 175.700 175.700 175.008 0.692 RESID 139 (I): CA 60.000 60.000 61.699 -1.699 RESID 139 (I): CB 30.290 30.290 39.361 -9.071 RESID 140 (V): N 118.700 118.700 118.210 0.490 RESID 140 (V): C 173.900 173.900 175.591 -1.691 RESID 140 (V): CA 61.920 61.920 61.754 0.166 RESID 140 (V): CB 30.900 30.900 33.044 -2.144 RESID 141 (H): N 117.200 117.200 124.025 -6.825 RESID 141 (H): C 177.900 177.900 173.989 3.911 RESID 141 (H): CA 58.860 58.860 55.788 3.072 RESID 141 (H): CB 30.090 30.090 29.814 0.277 RESID 142 (A): N 121.200 121.200 125.009 -3.809 RESID 142 (A): C 174.600 174.600 177.264 -2.664 RESID 142 (A): CA 53.170 53.170 52.595 0.575 RESID 142 (A): CB 16.580 16.580 18.136 -1.556 RESID 143 (T): N 118.000 118.000 115.660 2.340 RESID 143 (T): C 177.000 177.000 174.469 2.531 RESID 143 (T): CA 62.520 62.520 64.507 -1.987 RESID 143 (T): CB 64.330 64.330 68.956 -4.626 RESID 144 (R): CA 57.250 57.250 56.922 0.328 RESID 144 (R): CB 30.340 30.340 31.627 -1.287 RESID 145 (T): N 119.700 119.700 109.412 10.288 RESID 145 (T): C 177.000 177.000 173.299 3.701 RESID 145 (T): CA 62.370 62.370 62.465 -0.095 RESID 145 (T): CB 64.120 64.120 69.510 -5.390 RESID 146 (L): N 127.900 127.900 121.402 6.498 RESID 146 (L): C 173.200 173.200 175.186 -1.986 RESID 146 (L): CA 55.790 55.790 54.280 1.510 RESID 146 (L): CB 40.570 40.570 41.983 -1.413 RESID 147 (T): N 124.000 124.000 115.894 8.106 RESID 147 (T): C 177.700 177.700 173.862 3.838 RESID 147 (T): CA 62.050 62.050 61.638 0.412 RESID 147 (T): CB 63.770 63.770 71.399 -7.629 RESID 148 (Q): N 122.800 122.800 122.374 0.426 RESID 148 (Q): C 176.700 176.700 176.973 -0.273 RESID 148 (Q): CA 53.470 53.470 56.594 -3.124 RESID 148 (Q): CB 29.310 29.310 29.665 -0.355 RESID 149 (K): N 120.900 120.900 123.136 -2.236 RESID 149 (K): C 175.900 175.900 178.879 -2.979 RESID 149 (K): CA 59.440 59.440 59.232 0.208 RESID 150 (R): N 122.200 122.200 119.886 2.314 RESID 150 (R): C 177.500 177.500 178.482 -0.982 RESID 150 (R): CA 56.700 56.700 58.900 -2.200 RESID 150 (R): CB 31.150 31.150 29.675 1.475 RESID 151 (H): N 117.300 117.300 116.934 0.366 RESID 151 (H): C 177.800 177.800 177.482 0.318 RESID 151 (H): CA 59.130 59.130 59.574 -0.444 RESID 151 (H): CB 29.400 29.400 29.252 0.148 RESID 152 (L): N 120.400 120.400 120.329 0.071 RESID 152 (L): C 176.800 176.800 178.164 -1.364 RESID 152 (L): CA 56.150 56.150 58.492 -2.342 RESID 152 (L): CB 39.810 39.810 42.005 -2.195 RESID 153 (V): N 121.500 121.500 118.337 3.163 RESID 153 (V): C 174.300 174.300 178.352 -4.052 RESID 153 (V): CA 61.240 61.240 66.637 -5.397 RESID 154 (K): N 117.000 117.000 121.175 -4.175 RESID 154 (K): C 175.300 175.300 178.554 -3.254 RESID 154 (K): CA 59.000 59.000 60.087 -1.087 RESID 155 (F): N 121.100 121.100 120.823 0.277 RESID 155 (F): C 176.600 176.600 177.304 -0.704 RESID 155 (F): CA 61.200 61.200 61.169 0.032 RESID 156 (V): N 123.800 123.800 119.667 4.133 RESID 156 (V): C 177.700 177.700 177.613 0.087 RESID 156 (V): CA 62.170 62.170 67.087 -4.917 RESID 156 (V): CB 33.400 33.400 31.094 2.306 RESID 157 (C): CA 58.260 58.260 63.632 -5.372 RESID 158 (L): N 122.900 122.900 121.405 1.495 RESID 158 (L): C 175.500 175.500 178.730 -3.230 RESID 158 (L): CA 55.750 55.750 58.615 -2.865 RESID 159 (G): N 104.900 104.900 105.900 -1.000 RESID 159 (G): C 176.200 176.200 175.990 0.210 RESID 159 (G): CA 44.750 44.750 47.031 -2.281 RESID 160 (C): N 116.700 116.700 120.974 -4.274 RESID 160 (C): C 181.100 181.100 176.493 4.607 RESID 160 (C): CA 59.000 59.000 63.335 -4.335 RESID 160 (C): CB 29.130 29.130 27.132 1.998 RESID 161 (W): N 119.000 119.000 121.511 -2.511 RESID 161 (W): C 174.900 174.900 178.491 -3.591 RESID 161 (W): CA 55.880 55.880 61.273 -5.394 RESID 162 (G): N 108.300 108.300 106.553 1.747 RESID 162 (G): C 173.600 173.600 176.137 -2.537 RESID 162 (G): CA 45.100 45.100 47.288 -2.188 RESID 163 (L): N 120.200 120.200 122.487 -2.287 RESID 163 (L): C 173.500 173.500 178.259 -4.759 RESID 163 (L): CA 55.800 55.800 57.519 -1.719 RESID 163 (L): CB 39.850 39.850 40.981 -1.131 RESID 164 (S): N 117.200 117.200 115.182 2.018 RESID 164 (S): C 175.000 175.000 176.960 -1.960 RESID 164 (S): CA 55.600 55.600 61.505 -5.905 RESID 164 (S): CB 65.660 65.660 62.800 2.860 RESID 165 (M): N 121.200 121.200 121.592 -0.392 RESID 165 (M): C 175.500 175.500 177.267 -1.767 RESID 165 (M): CA 57.600 57.600 58.463 -0.863 RESID 165 (M): CB 30.000 30.000 32.822 -2.822 RESID 166 (N): N 120.200 120.200 118.711 1.489 RESID 166 (N): C 176.500 176.500 177.195 -0.695 RESID 166 (N): CA 56.080 56.080 56.006 0.074 RESID 166 (N): CB 38.940 38.940 38.787 0.153 RESID 167 (L): N 120.800 120.800 120.216 0.584 RESID 167 (L): C 177.200 177.200 177.742 -0.542 RESID 167 (L): CA 64.900 64.900 57.728 7.172 RESID 167 (L): CB 36.400 36.400 42.886 -6.486 RESID 168 (S): N 119.400 119.400 114.170 5.230 RESID 168 (S): C 174.100 174.100 176.690 -2.590 RESID 168 (S): CA 55.700 55.700 60.324 -4.624 RESID 168 (S): CB 57.600 57.600 63.291 -5.691 RESID 169 (L): N 122.900 122.900 123.973 -1.073 RESID 169 (L): C 177.500 177.500 175.359 2.141 RESID 169 (L): CA 56.460 56.460 59.939 -3.479 RESID 169 (L): CB 39.200 39.200 40.048 -0.848 RESID 171 (F): N 118.600 118.600 117.154 1.446 RESID 171 (F): C 173.600 173.600 176.315 -2.715 RESID 171 (F): CA 61.700 61.700 59.276 2.424 RESID 172 (F): N 116.300 116.300 115.639 0.661 RESID 172 (F): C 174.200 174.200 177.575 -3.375 RESID 172 (F): CA 59.500 59.500 60.751 -1.251 RESID 172 (F): CB 42.000 42.000 38.748 3.252 RESID 173 (L): N 120.400 120.400 118.416 1.984 RESID 173 (L): C 177.300 177.300 178.225 -0.925 RESID 173 (L): CA 54.730 54.730 58.238 -3.508 RESID 173 (L): CB 37.230 37.230 42.531 -5.301 RESID 174 (F): N 121.200 121.200 111.810 9.390 RESID 174 (F): C 177.000 177.000 175.176 1.824 RESID 174 (F): CA 59.000 59.000 57.925 1.075 RESID 174 (F): CB 43.220 43.220 42.673 0.547 RESID 175 (R): N 118.500 118.500 120.701 -2.201 RESID 175 (R): C 178.400 178.400 177.021 1.379 RESID 175 (R): CA 56.200 56.200 57.017 -0.817 RESID 176 (Q): N 122.100 122.100 119.811 2.289 RESID 176 (Q): C 178.000 178.000 174.256 3.744 RESID 176 (Q): CA 56.200 56.200 57.489 -1.289 RESID 177 (A): N 123.200 123.200 118.213 4.987 RESID 177 (A): C 176.900 176.900 174.830 2.070 RESID 177 (A): CA 54.300 54.300 51.420 2.880 RESID 177 (A): CB 16.870 16.870 21.095 -4.225 RESID 178 (Y): N 120.700 120.700 115.084 5.616 RESID 178 (Y): C 174.800 174.800 175.351 -0.551 RESID 178 (Y): CA 56.600 56.600 55.476 1.124 RESID 178 (Y): CB 39.900 39.900 37.620 2.280 RESID 179 (H): N 119.600 119.600 119.045 0.555 RESID 179 (H): C 176.600 176.600 173.664 2.936 RESID 179 (H): CA 58.220 58.220 53.645 4.574 RESID 179 (H): CB 31.560 31.560 29.946 1.614 RESID 181 (N): N 119.200 119.200 115.506 3.694 RESID 181 (N): C 172.500 172.500 174.210 -1.710 RESID 181 (N): CA 56.150 56.150 52.147 4.003 RESID 181 (N): CB 36.500 36.500 40.983 -4.483 RESID 182 (N): N 114.100 114.100 121.302 -7.202 RESID 182 (N): C 175.800 175.800 173.383 2.417 RESID 182 (N): CA 55.500 55.500 54.968 0.532 RESID 183 (S): N 117.200 117.200 117.059 0.141 RESID 183 (S): C 175.600 175.600 172.692 2.908 RESID 183 (S): CA 55.400 55.400 57.217 -1.817 RESID 183 (S): CB 63.800 63.800 61.501 2.299 RESID 184 (S): N 117.000 117.000 115.813 1.187 RESID 184 (S): C 175.000 175.000 172.178 2.822 RESID 184 (S): CA 55.500 55.500 56.723 -1.223 RESID 184 (S): CB 63.800 63.800 64.946 -1.146 RESID 186 (V): N 119.500 119.500 121.983 -2.483 RESID 186 (V): C 175.300 175.300 175.098 0.202 RESID 186 (V): CA 65.290 65.290 61.605 3.685 RESID 186 (V): CB 30.120 30.120 33.103 -2.983 RESID 187 (C): N 116.500 116.500 125.710 -9.210 RESID 187 (C): C 176.300 176.300 174.188 2.112 RESID 187 (C): CA 56.000 56.000 58.229 -2.229 RESID 187 (C): CB 40.000 40.000 28.528 11.472 RESID 188 (Y): N 121.300 121.300 122.524 -1.224 RESID 188 (Y): C 176.500 176.500 174.040 2.460 RESID 188 (Y): CA 55.860 55.860 55.531 0.329 RESID 188 (Y): CB 40.240 40.240 40.145 0.096 RESID 189 (E): N 122.000 122.000 119.887 2.113 RESID 189 (E): C 175.500 175.500 175.659 -0.159 RESID 189 (E): CA 57.900 57.900 56.541 1.359 RESID 189 (E): CB 31.840 31.840 29.675 2.165 RESID 190 (V): N 123.500 123.500 118.418 5.082 RESID 190 (V): C 172.800 172.800 176.132 -3.332 RESID 190 (V): CA 65.670 65.670 62.887 2.783 RESID 190 (V): CB 29.200 29.200 32.055 -2.855 RESID 191 (L): N 129.900 129.900 123.478 6.422 RESID 191 (L): CA 55.500 55.500 56.153 -0.653 RESID 192 (G): N 107.500 107.500 103.334 4.166 RESID 192 (G): C 173.500 173.500 173.076 0.424 RESID 192 (G): CA 44.870 44.870 44.212 0.658 RESID 193 (N): N 116.600 116.600 116.671 -0.071 RESID 193 (N): CA 52.800 52.800 54.938 -2.138 RESID 193 (N): CB 39.560 39.560 38.790 0.770 RESID 194 (D): N 123.100 123.100 116.369 6.731 RESID 194 (D): C 172.800 172.800 176.427 -3.627 RESID 194 (D): CA 53.900 53.900 54.910 -1.010 RESID 194 (D): CB 39.700 39.700 39.836 -0.136 RESID 195 (T): N 118.800 118.800 111.750 7.050 RESID 195 (T): C 175.500 175.500 175.052 0.448 RESID 195 (T): CA 63.000 63.000 64.864 -1.864 RESID 196 (A): N 123.300 123.300 123.172 0.128 RESID 196 (A): C 173.000 173.000 178.361 -5.361 RESID 196 (A): CA 53.800 53.800 54.435 -0.635 RESID 196 (A): CB 17.240 17.240 18.652 -1.412 RESID 197 (K): N 121.700 121.700 114.969 6.731 RESID 197 (K): C 175.000 175.000 176.243 -1.243 RESID 197 (K): CA 56.900 56.900 54.785 2.115 RESID 197 (K): CB 29.900 29.900 33.232 -3.332 RESID 198 (W): N 120.700 120.700 119.074 1.626 RESID 198 (W): C 177.600 177.600 176.910 0.690 RESID 198 (W): CA 59.300 59.300 57.467 1.833 RESID 198 (W): CB 29.700 29.700 26.014 3.686 RESID 199 (R): N 123.500 123.500 119.573 3.927 RESID 199 (R): C 178.100 178.100 178.169 -0.069 RESID 199 (R): CA 55.950 55.950 58.107 -2.157 RESID 199 (R): CB 31.060 31.060 29.627 1.433 RESID 200 (M): N 119.900 119.900 119.270 0.630 RESID 200 (M): C 175.400 175.400 177.928 -2.528 RESID 200 (M): CA 58.100 58.100 59.352 -1.252 RESID 200 (M): CB 31.100 31.100 32.463 -1.363 RESID 201 (V): N 123.700 123.700 117.598 6.102 RESID 201 (V): C 174.900 174.900 177.635 -2.735 RESID 201 (V): CA 65.700 65.700 65.469 0.231 RESID 201 (V): CB 29.180 29.180 30.784 -1.604 RESID 202 (L): N 124.000 124.000 121.543 2.457 RESID 202 (L): C 172.700 172.700 178.460 -5.760 RESID 202 (L): CA 54.800 54.800 58.745 -3.946 RESID 203 (R): N 124.000 124.000 118.147 5.853 RESID 203 (R): C 176.200 176.200 178.978 -2.778 RESID 203 (R): CA 55.800 55.800 58.740 -2.940 RESID 203 (R): CB 31.260 31.260 29.344 1.916 RESID 204 (I): N 120.500 120.500 119.947 0.553 RESID 204 (I): C 176.000 176.000 178.831 -2.831 RESID 204 (I): CA 64.700 64.700 63.877 0.823 RESID 204 (I): CB 36.400 36.400 38.150 -1.750 RESID 205 (L): N 123.400 123.400 120.601 2.799 RESID 205 (L): C 176.000 176.000 176.555 -0.555 RESID 205 (L): CA 55.000 55.000 60.968 -5.968 RESID 206 (P): CA 62.500 62.500 66.063 -3.563 RESID 207 (H): N 113.500 113.500 117.596 -4.096 RESID 207 (H): C 175.200 175.200 177.272 -2.072 RESID 207 (H): CA 53.110 53.110 60.086 -6.976 RESID 207 (H): CB 30.000 30.000 29.934 0.066 RESID 208 (T): N 122.100 122.100 116.786 5.314 RESID 208 (T): C 178.000 178.000 176.108 1.892 RESID 208 (T): CA 62.850 62.850 66.425 -3.575 RESID 209 (F): N 117.500 117.500 121.423 -3.923 RESID 209 (F): C 175.400 175.400 176.409 -1.009 RESID 209 (F): CA 59.850 59.850 59.470 0.380 RESID 210 (G): N 111.700 111.700 107.691 4.009 RESID 210 (G): C 174.100 174.100 173.774 0.326 RESID 210 (G): CA 45.000 45.000 45.640 -0.640 RESID 211 (F): N 120.900 120.900 119.369 1.531 RESID 211 (F): C 175.000 175.000 176.625 -1.625 RESID 211 (F): CA 55.950 55.950 58.148 -2.198 RESID 212 (I): N 120.100 120.100 119.872 0.228 RESID 212 (I): C 175.900 175.900 177.770 -1.870 RESID 212 (I): CA 64.440 64.440 64.916 -0.476 RESID 212 (I): CB 36.600 36.600 37.178 -0.578 RESID 213 (V): N 123.400 123.400 119.089 4.311 RESID 213 (V): C 175.300 175.300 175.071 0.229 RESID 213 (V): CA 65.750 65.750 68.368 -2.618 RESID 213 (V): CB 29.680 29.680 28.998 0.682 RESID 215 (L): N 125.300 125.300 118.909 6.391 RESID 215 (L): C 177.200 177.200 178.386 -1.186 RESID 215 (L): CA 55.700 55.700 57.549 -1.849 RESID 215 (L): CB 40.150 40.150 41.448 -1.298 RESID 216 (F): N 123.800 123.800 116.744 7.056 RESID 216 (F): C 179.200 179.200 178.090 1.110 RESID 216 (F): CA 60.650 60.650 60.612 0.038 RESID 216 (F): CB 37.000 37.000 37.744 -0.744 RESID 217 (V): N 118.500 118.500 120.387 -1.887 RESID 217 (V): C 175.400 175.400 178.170 -2.770 RESID 217 (V): CA 65.660 65.660 66.870 -1.210 RESID 217 (V): CB 29.920 29.920 31.566 -1.646 RESID 218 (M): N 118.300 118.300 118.153 0.147 RESID 218 (M): C 174.400 174.400 177.941 -3.541 RESID 218 (M): CA 55.000 55.000 59.060 -4.060 RESID 218 (M): CB 31.650 31.650 31.309 0.341 RESID 219 (L): N 120.500 120.500 120.736 -0.236 RESID 219 (L): C 177.600 177.600 178.935 -1.335 RESID 219 (L): CA 55.800 55.800 57.793 -1.993 RESID 219 (L): CB 40.810 40.810 40.730 0.081 RESID 220 (F): N 124.700 124.700 119.104 5.596 RESID 220 (F): C 176.000 176.000 178.412 -2.412 RESID 220 (F): CA 61.170 61.170 62.253 -1.083 RESID 221 (C): N 117.800 117.800 118.363 -0.563 RESID 221 (C): C 176.000 176.000 177.202 -1.202 RESID 221 (C): CA 61.870 61.870 64.107 -2.237 RESID 222 (Y): N 122.000 122.000 121.468 0.532 RESID 222 (Y): C 178.400 178.400 178.550 -0.150 RESID 222 (Y): CA 57.500 57.500 59.890 -2.390 RESID 222 (Y): CB 37.150 37.150 37.339 -0.188 RESID 223 (G): N 110.300 110.300 106.283 4.017 RESID 223 (G): C 174.500 174.500 175.619 -1.119 RESID 223 (G): CA 41.700 41.700 46.968 -5.268 RESID 224 (F): N 120.100 120.100 120.786 -0.686 RESID 224 (F): C 176.500 176.500 178.099 -1.599 RESID 224 (F): CA 62.300 62.300 61.037 1.263 RESID 224 (F): CB 36.900 36.900 39.531 -2.631 RESID 225 (T): N 118.500 118.500 114.907 3.593 RESID 225 (T): C 175.000 175.000 176.823 -1.823 RESID 225 (T): CA 64.650 64.650 66.157 -1.507 RESID 226 (L): N 122.900 122.900 120.920 1.980 RESID 226 (L): C 177.200 177.200 177.468 -0.268 RESID 226 (L): CA 55.900 55.900 55.792 0.108 RESID 226 (L): CB 39.400 39.400 40.103 -0.703 RESID 227 (R): N 121.000 121.000 117.663 3.337 RESID 227 (R): C 177.200 177.200 177.656 -0.456 RESID 227 (R): CA 54.600 54.600 58.282 -3.682 RESID 227 (R): CB 28.500 28.500 30.021 -1.521 RESID 228 (T): N 119.600 119.600 113.069 6.531 RESID 228 (T): C 176.900 176.900 174.708 2.192 RESID 228 (T): CA 64.750 64.750 64.099 0.651 RESID 228 (T): CB 66.560 66.560 71.193 -4.633 RESID 229 (L): N 125.600 125.600 123.184 2.416 RESID 229 (L): C 177.800 177.800 176.300 1.500 RESID 229 (L): CA 55.700 55.700 53.293 2.407 RESID 229 (L): CB 40.260 40.260 38.815 1.445 RESID 230 (F): N 121.900 121.900 124.812 -2.912 RESID 230 (F): C 176.900 176.900 176.902 -0.002 RESID 230 (F): CA 58.770 58.770 61.400 -2.630 RESID 230 (F): CB 41.940 41.940 39.388 2.552 RESID 231 (K): N 121.600 121.600 119.093 2.507 RESID 231 (K): C 174.900 174.900 175.534 -0.634 RESID 231 (K): CA 56.000 56.000 56.469 -0.470 RESID 231 (K): CB 30.900 30.900 32.053 -1.153 RESID 232 (A): N 123.500 123.500 124.126 -0.626 RESID 232 (A): C 176.900 176.900 176.924 -0.024 RESID 232 (A): CA 54.000 54.000 53.255 0.745 RESID 232 (A): CB 21.830 21.830 18.129 3.701 RESID 233 (H): N 123.500 123.500 117.666 5.834 RESID 233 (H): C 176.100 176.100 172.716 3.384 RESID 233 (H): CA 55.700 55.700 53.740 1.960 RESID 233 (H): CB 29.060 29.060 28.665 0.395 RESID 234 (M): N 120.000 120.000 121.418 -1.418 RESID 234 (M): C 176.700 176.700 175.507 1.193 RESID 234 (M): CA 58.000 58.000 55.111 2.889 RESID 234 (M): CB 31.810 31.810 33.575 -1.766 RESID 235 (G): N 109.600 109.600 113.130 -3.530 RESID 235 (G): C 173.300 173.300 174.046 -0.746 RESID 235 (G): CA 42.800 42.800 44.562 -1.762 RESID 236 (Q): N 116.800 116.800 118.193 -1.393 RESID 236 (Q): C 173.100 173.100 176.805 -3.705 RESID 236 (Q): CA 55.000 55.000 57.114 -2.114 RESID 236 (Q): CB 25.400 25.400 28.744 -3.344 RESID 237 (K): N 123.200 123.200 120.047 3.153 RESID 237 (K): C 178.100 178.100 177.448 0.652 RESID 237 (K): CA 56.000 56.000 59.426 -3.426 RESID 237 (K): CB 31.110 31.110 32.235 -1.125 RESID 238 (H): N 123.600 123.600 113.396 10.204 RESID 238 (H): C 177.000 177.000 176.620 0.380 RESID 238 (H): CA 54.720 54.720 57.174 -2.454 RESID 238 (H): CB 30.000 30.000 31.994 -1.994 RESID 239 (R): N 122.100 122.100 121.685 0.415 RESID 239 (R): C 176.600 176.600 177.382 -0.782 RESID 239 (R): CA 55.650 55.650 58.744 -3.094 RESID 239 (R): CB 31.100 31.100 29.963 1.137 RESID 240 (A): N 121.800 121.800 121.482 0.318 RESID 240 (A): C 175.900 175.900 179.817 -3.917 RESID 240 (A): CA 52.800 52.800 55.228 -2.428 RESID 240 (A): CB 16.700 16.700 18.235 -1.535 RESID 241 (M): N 120.200 120.200 116.029 4.171 RESID 241 (M): C 175.600 175.600 178.518 -2.918 RESID 241 (M): CA 58.100 58.100 58.588 -0.488 RESID 241 (M): CB 31.810 31.810 31.700 0.110 RESID 242 (R): N 121.200 121.200 121.111 0.089 RESID 242 (R): C 177.400 177.400 178.687 -1.287 RESID 242 (R): CA 56.000 56.000 59.017 -3.017 RESID 242 (R): CB 30.910 30.910 29.420 1.490 RESID 243 (V): N 119.700 119.700 120.736 -1.036 RESID 243 (V): C 175.600 175.600 177.699 -2.099 RESID 243 (V): CA 65.470 65.470 66.548 -1.078 RESID 243 (V): CB 29.400 29.400 31.737 -2.337 RESID 244 (I): N 120.900 120.900 120.981 -0.081 RESID 244 (I): C 175.500 175.500 178.075 -2.575 RESID 244 (I): CA 64.600 64.600 65.656 -1.056 RESID 244 (I): CB 36.800 36.800 37.254 -0.454 RESID 245 (F): N 117.200 117.200 118.670 -1.470 RESID 245 (F): C 175.100 175.100 177.885 -2.785 RESID 245 (F): CA 60.200 60.200 62.016 -1.816 RESID 245 (F): CB 39.770 39.770 37.818 1.952 RESID 246 (A): N 122.300 122.300 122.845 -0.545 RESID 246 (A): C 177.700 177.700 179.407 -1.707 RESID 246 (A): CA 53.200 53.200 55.535 -2.335 RESID 246 (A): CB 16.880 16.880 18.065 -1.185 RESID 247 (V): N 121.000 121.000 115.953 5.047 RESID 247 (V): C 175.000 175.000 177.813 -2.813 RESID 247 (V): CA 66.450 66.450 66.221 0.229 RESID 247 (V): CB 29.550 29.550 31.426 -1.876 RESID 248 (V): N 122.300 122.300 120.831 1.469 RESID 248 (V): C 177.200 177.200 178.202 -1.002 RESID 248 (V): CA 64.860 64.860 67.218 -2.358 RESID 248 (V): CB 30.140 30.140 31.598 -1.458 RESID 249 (L): N 119.300 119.300 120.211 -0.911 RESID 249 (L): C 176.400 176.400 179.078 -2.678 RESID 249 (L): CA 56.180 56.180 58.409 -2.229 RESID 249 (L): CB 40.650 40.650 42.028 -1.378 RESID 250 (I): N 121.200 121.200 119.780 1.420 RESID 250 (I): C 176.900 176.900 178.252 -1.352 RESID 250 (I): CA 64.200 64.200 65.348 -1.148 RESID 250 (I): CB 36.700 36.700 37.184 -0.484 RESID 251 (F): N 125.100 125.100 119.840 5.260 RESID 251 (F): C 177.100 177.100 178.867 -1.767 RESID 251 (F): CA 59.800 59.800 61.804 -2.004 RESID 252 (L): N 118.800 118.800 119.437 -0.637 RESID 252 (L): C 176.700 176.700 179.059 -2.359 RESID 252 (L): CA 56.000 56.000 57.374 -1.374 RESID 252 (L): CB 40.700 40.700 41.353 -0.653 RESID 253 (L): N 121.800 121.800 121.249 0.551 RESID 253 (L): C 176.700 176.700 177.812 -1.112 RESID 253 (L): CA 56.220 56.220 58.287 -2.067 RESID 253 (L): CB 40.000 40.000 40.996 -0.996 RESID 254 (C): N 119.800 119.800 114.437 5.363 RESID 254 (C): C 176.800 176.800 177.072 -0.272 RESID 254 (C): CA 58.300 58.300 59.678 -1.378 RESID 254 (C): CB 28.040 28.040 29.125 -1.085 RESID 255 (W): N 121.300 121.300 122.300 -1.000 RESID 255 (W): C 178.400 178.400 176.866 1.534 RESID 255 (W): CA 56.940 56.940 58.051 -1.111 RESID 255 (W): CB 29.850 29.850 29.535 0.315 RESID 256 (L): N 124.900 124.900 123.554 1.346 RESID 256 (L): C 177.700 177.700 175.505 2.195 RESID 256 (L): CA 55.840 55.840 59.706 -3.866 RESID 256 (L): CB 40.000 40.000 39.416 0.584 RESID 258 (Y): N 124.900 124.900 120.713 4.187 RESID 258 (Y): C 179.000 179.000 177.440 1.560 RESID 258 (Y): CA 58.330 58.330 61.334 -3.004 RESID 258 (Y): CB 42.070 42.070 38.112 3.958 RESID 259 (N): N 123.000 123.000 118.072 4.928 RESID 259 (N): C 173.000 173.000 177.164 -4.164 RESID 259 (N): CA 53.900 53.900 55.500 -1.600 RESID 259 (N): CB 37.620 37.620 38.132 -0.512 RESID 260 (L): N 121.800 121.800 121.129 0.671 RESID 260 (L): C 175.300 175.300 178.355 -3.055 RESID 260 (L): CA 56.190 56.190 58.271 -2.081 RESID 260 (L): CB 39.060 39.060 41.746 -2.687 RESID 261 (V): N 118.600 118.600 118.489 0.111 RESID 261 (V): C 175.000 175.000 177.644 -2.644 RESID 261 (V): CA 65.200 65.200 66.310 -1.110 RESID 261 (V): CB 29.620 29.620 31.779 -2.159 RESID 262 (L): N 121.800 121.800 121.336 0.464 RESID 262 (L): C 176.600 176.600 177.953 -1.353 RESID 262 (L): CA 56.000 56.000 58.745 -2.745 RESID 262 (L): CB 40.070 40.070 41.683 -1.613 RESID 263 (L): N 123.500 123.500 119.942 3.558 RESID 263 (L): C 176.000 176.000 178.699 -2.699 RESID 263 (L): CA 55.600 55.600 57.776 -2.176 RESID 263 (L): CB 40.620 40.620 41.729 -1.109 RESID 264 (A): N 122.200 122.200 121.307 0.893 RESID 264 (A): C 174.400 174.400 178.996 -4.596 RESID 264 (A): CA 53.300 53.300 55.418 -2.118 RESID 264 (A): CB 15.820 15.820 17.968 -2.147 RESID 265 (D): N 126.500 126.500 118.375 8.125 RESID 265 (D): C 171.600 171.600 179.309 -7.709 RESID 265 (D): CA 56.300 56.300 57.446 -1.146 RESID 266 (T): N 120.700 120.700 114.086 6.614 RESID 266 (T): C 175.300 175.300 176.581 -1.281 RESID 266 (T): CA 60.300 60.300 66.073 -5.774 RESID 267 (L): N 121.600 121.600 119.385 2.215 RESID 267 (L): C 176.100 176.100 177.127 -1.027 RESID 267 (L): CA 55.950 55.950 55.150 0.800 RESID 267 (L): CB 40.130 40.130 42.184 -2.054 RESID 268 (M): N 120.200 120.200 116.705 3.495 RESID 268 (M): C 176.800 176.800 176.110 0.690 RESID 268 (M): CA 58.200 58.200 54.760 3.440 RESID 268 (M): CB 31.900 31.900 31.287 0.613 RESID 269 (R): N 116.700 116.700 119.770 -3.070 RESID 269 (R): C 175.500 175.500 177.431 -1.931 RESID 269 (R): CA 57.000 57.000 58.246 -1.246 RESID 269 (R): CB 29.700 29.700 28.639 1.061 RESID 270 (T): N 117.100 117.100 107.584 9.516 RESID 270 (T): C 175.700 175.700 173.983 1.717 RESID 270 (T): CA 64.000 64.000 64.821 -0.821 RESID 271 (Q): N 122.800 122.800 121.113 1.687 RESID 271 (Q): C 176.000 176.000 176.395 -0.395 RESID 271 (Q): CA 57.400 57.400 55.157 2.243 RESID 272 (V): N 121.300 121.300 120.450 0.850 RESID 272 (V): C 176.000 176.000 175.166 0.834 RESID 272 (V): CA 63.670 63.670 63.645 0.025 RESID 272 (V): CB 35.310 35.310 31.487 3.823 RESID 273 (I): N 123.300 123.300 127.611 -4.311 RESID 273 (I): C 178.300 178.300 175.634 2.666 RESID 273 (I): CA 64.000 64.000 60.411 3.589 RESID 273 (I): CB 36.000 36.000 38.164 -2.164 RESID 274 (Q): N 123.400 123.400 121.979 1.421 RESID 274 (Q): C 176.000 176.000 174.953 1.047 RESID 274 (Q): CA 56.950 56.950 57.348 -0.398 RESID 275 (E): N 123.600 123.600 113.923 9.677 RESID 275 (E): C 177.200 177.200 175.328 1.872 RESID 275 (E): CA 55.730 55.730 55.863 -0.133 RESID 275 (E): CB 29.130 29.130 29.643 -0.513 RESID 276 (S): N 116.400 116.400 118.539 -2.139 RESID 276 (S): CA 61.300 61.300 61.137 0.163 RESID 276 (S): CB 63.340 63.340 63.186 0.154 RESID 277 (C): N 117.200 117.200 120.307 -3.107 RESID 277 (C): C 175.600 175.600 177.079 -1.479 RESID 277 (C): CA 55.300 55.300 63.242 -7.941 RESID 277 (C): CB 25.240 25.240 25.881 -0.641 RESID 278 (E): N 120.900 120.900 120.129 0.771 RESID 278 (E): C 175.200 175.200 178.821 -3.621 RESID 278 (E): CA 58.200 58.200 59.348 -1.148 RESID 278 (E): CB 28.890 28.890 29.396 -0.506 RESID 279 (R): N 123.000 123.000 117.926 5.074 RESID 279 (R): C 176.600 176.600 178.881 -2.281 RESID 279 (R): CA 56.200 56.200 58.147 -1.947 RESID 279 (R): CB 29.500 29.500 29.921 -0.421 RESID 280 (R): N 124.000 124.000 117.981 6.019 RESID 280 (R): C 176.300 176.300 178.062 -1.762 RESID 280 (R): CA 55.870 55.870 58.017 -2.147 RESID 280 (R): CB 28.250 28.250 29.718 -1.468 RESID 281 (N): N 121.100 121.100 118.913 2.187 RESID 281 (N): C 174.600 174.600 177.040 -2.440 RESID 281 (N): CA 51.880 51.880 55.812 -3.932 RESID 281 (N): CB 37.700 37.700 37.645 0.055 RESID 282 (N): N 121.600 121.600 119.121 2.479 RESID 282 (N): C 176.600 176.600 177.488 -0.888 RESID 282 (N): CA 55.800 55.800 55.700 0.099 RESID 282 (N): CB 39.000 39.000 38.421 0.579 RESID 283 (I): N 120.800 120.800 117.028 3.772 RESID 283 (I): C 175.200 175.200 177.295 -2.095 RESID 283 (I): CA 64.500 64.500 63.145 1.355 RESID 283 (I): CB 36.600 36.600 37.761 -1.161 RESID 284 (G): N 110.500 110.500 106.677 3.823 RESID 284 (G): C 176.800 176.800 175.418 1.382 RESID 284 (G): CA 41.400 41.400 45.511 -4.111 RESID 286 (A): N 122.800 122.800 121.620 1.180 RESID 286 (A): C 178.500 178.500 179.247 -0.747 RESID 286 (A): CA 53.840 53.840 54.595 -0.755 RESID 286 (A): CB 16.630 16.630 18.164 -1.534 RESID 287 (L): N 125.500 125.500 116.917 8.583 RESID 287 (L): C 175.800 175.800 177.702 -1.902 RESID 287 (L): CA 56.150 56.150 57.514 -1.364 RESID 287 (L): CB 40.200 40.200 40.660 -0.460 RESID 288 (D): N 116.800 116.800 119.818 -3.018 RESID 288 (D): C 176.500 176.500 177.492 -0.992 RESID 288 (D): CA 56.250 56.250 57.295 -1.046 RESID 289 (A): N 124.600 124.600 120.424 4.176 RESID 289 (A): C 177.500 177.500 178.733 -1.233 RESID 289 (A): CA 53.250 53.250 54.755 -1.504 RESID 289 (A): CB 16.900 16.900 17.276 -0.376 RESID 290 (T): N 114.900 114.900 109.978 4.922 RESID 290 (T): C 177.000 177.000 176.621 0.379 RESID 290 (T): CA 64.100 64.100 65.027 -0.927 RESID 291 (E): N 120.800 120.800 122.222 -1.422 RESID 291 (E): C 177.000 177.000 178.409 -1.409 RESID 291 (E): CA 57.500 57.500 59.145 -1.645 RESID 291 (E): CB 29.700 29.700 29.317 0.383 RESID 292 (I): N 121.300 121.300 117.616 3.684 RESID 292 (I): C 176.000 176.000 177.253 -1.253 RESID 292 (I): CA 64.300 64.300 64.102 0.198 RESID 292 (I): CB 36.640 36.640 37.051 -0.411 RESID 293 (L): N 122.700 122.700 120.757 1.943 RESID 293 (L): C 175.100 175.100 179.288 -4.188 RESID 293 (L): CA 55.600 55.600 57.003 -1.403 RESID 293 (L): CB 39.440 39.440 40.336 -0.896 RESID 294 (G): N 108.500 108.500 107.016 1.484 RESID 294 (G): C 173.800 173.800 176.526 -2.726 RESID 294 (G): CA 45.030 45.030 46.668 -1.638 RESID 295 (F): N 121.600 121.600 120.949 0.651 RESID 295 (F): C 177.500 177.500 177.503 -0.003 RESID 295 (F): CA 58.500 58.500 57.263 1.237 RESID 296 (L): N 120.900 120.900 120.365 0.535 RESID 296 (L): C 175.300 175.300 177.628 -2.328 RESID 296 (L): CA 55.900 55.900 56.757 -0.857 RESID 296 (L): CB 40.000 40.000 41.317 -1.317 RESID 297 (H): N 120.600 120.600 115.337 5.263 RESID 297 (H): C 176.600 176.600 175.492 1.108 RESID 297 (H): CA 57.700 57.700 57.257 0.443 RESID 297 (H): CB 30.130 30.130 28.515 1.615 RESID 298 (S): N 122.500 122.500 110.802 11.698 RESID 298 (S): C 177.700 177.700 174.226 3.474 RESID 298 (S): CA 62.580 62.580 58.211 4.369 RESID 298 (S): CB 64.530 64.530 64.381 0.149 RESID 299 (C): N 121.600 121.600 121.108 0.492 RESID 299 (C): C 177.300 177.300 175.443 1.857 RESID 299 (C): CA 59.200 59.200 59.248 -0.048 RESID 299 (C): CB 27.360 27.360 29.808 -2.447 RESID 300 (L): N 121.300 121.300 122.537 -1.237 RESID 300 (L): C 179.000 179.000 178.046 0.954 RESID 300 (L): CA 54.960 54.960 57.602 -2.642 RESID 300 (L): CB 40.740 40.740 41.622 -0.882 RESID 301 (N): N 119.000 119.000 118.999 0.001 RESID 301 (N): C 176.600 176.600 174.415 2.185 RESID 301 (N): CA 53.300 53.300 57.325 -4.025 RESID 301 (N): CB 36.760 36.760 36.312 0.448 RESID 302 (P): CA 58.860 58.860 65.778 -6.918 RESID 303 (I): N 120.900 120.900 119.184 1.716 RESID 303 (I): C 173.700 173.700 178.182 -4.482 RESID 303 (I): CA 66.500 66.500 65.359 1.141 RESID 303 (I): CB 36.650 36.650 37.899 -1.249 RESID 304 (I): N 120.400 120.400 120.141 0.259 RESID 304 (I): C 175.900 175.900 177.980 -2.080 RESID 304 (I): CA 65.800 65.800 65.064 0.736 RESID 304 (I): CB 36.330 36.330 37.820 -1.490 RESID 305 (Y): N 120.300 120.300 119.213 1.087 RESID 305 (Y): C 174.800 174.800 177.520 -2.720 RESID 305 (Y): CA 56.700 56.700 61.152 -4.452 RESID 305 (Y): CB 37.900 37.900 37.363 0.537 RESID 306 (A): N 123.300 123.300 121.356 1.944 RESID 306 (A): C 172.000 172.000 179.221 -7.221 RESID 306 (A): CA 54.350 54.350 54.520 -0.170 RESID 306 (A): CB 16.400 16.400 18.173 -1.773 RESID 307 (F): N 120.400 120.400 117.503 2.897 RESID 307 (F): C 175.900 175.900 177.316 -1.416 RESID 307 (F): CA 60.250 60.250 61.398 -1.149 RESID 307 (F): CB 40.200 40.200 38.818 1.382 RESID 308 (I): N 120.700 120.700 116.856 3.844 RESID 308 (I): C 177.200 177.200 177.313 -0.113 RESID 308 (I): CA 64.550 64.550 63.043 1.507 RESID 308 (I): CB 36.600 36.600 38.160 -1.560 RESID 309 (G): N 111.300 111.300 107.252 4.048 RESID 309 (G): C 174.000 174.000 173.685 0.315 RESID 309 (G): CA 41.600 41.600 45.128 -3.528 RESID 310 (Q): N 119.400 119.400 117.191 2.209 RESID 310 (Q): C 176.200 176.200 176.577 -0.377 RESID 310 (Q): CA 57.800 57.800 56.750 1.050 RESID 310 (Q): CB 31.900 31.900 30.337 1.563 RESID 311 (N): N 120.100 120.100 118.508 1.592 RESID 311 (N): C 175.600 175.600 176.700 -1.100 RESID 311 (N): CA 55.500 55.500 55.049 0.451 RESID 311 (N): CB 38.800 38.800 38.232 0.568 RESID 312 (F): N 120.700 120.700 118.250 2.450 RESID 312 (F): C 175.400 175.400 177.599 -2.199 RESID 312 (F): CA 58.300 58.300 61.126 -2.826 RESID 312 (F): CB 36.800 36.800 38.581 -1.781 RESID 313 (R): N 123.000 123.000 120.869 2.131 RESID 313 (R): C 174.500 174.500 178.022 -3.522 RESID 313 (R): CA 56.000 56.000 59.638 -3.638 RESID 313 (R): CB 29.300 29.300 29.812 -0.512 RESID 314 (H): N 122.100 122.100 115.186 6.914 RESID 314 (H): C 176.300 176.300 177.538 -1.238 RESID 314 (H): CA 58.600 58.600 57.370 1.230 RESID 314 (H): CB 29.900 29.900 28.933 0.967 RESID 315 (G): N 109.700 109.700 109.210 0.490 RESID 315 (G): C 174.100 174.100 175.568 -1.468 RESID 315 (G): CA 47.200 47.200 46.793 0.407 RESID 316 (F): N 123.600 123.600 120.431 3.169 RESID 316 (F): C 176.200 176.200 177.507 -1.307 RESID 316 (F): CA 58.200 58.200 61.127 -2.927 RESID 317 (L): N 122.000 122.000 120.491 1.509 RESID 317 (L): C 176.600 176.600 178.229 -1.629 RESID 317 (L): CA 55.700 55.700 57.905 -2.205 RESID 317 (L): CB 40.200 40.200 42.001 -1.801 RESID 318 (K): N 121.800 121.800 119.998 1.802 RESID 318 (K): C 177.500 177.500 179.151 -1.651 RESID 318 (K): CA 56.200 56.200 59.860 -3.660 RESID 318 (K): CB 30.000 30.000 32.141 -2.141 RESID 319 (I): N 120.600 120.600 118.777 1.823 RESID 319 (I): C 176.000 176.000 178.068 -2.068 RESID 319 (I): CA 65.200 65.200 64.907 0.293 RESID 319 (I): CB 36.400 36.400 38.011 -1.611 RESID 320 (L): N 121.900 121.900 120.199 1.701 RESID 320 (L): C 176.800 176.800 178.178 -1.378 RESID 320 (L): CA 56.200 56.200 57.839 -1.639 RESID 320 (L): CB 40.000 40.000 42.066 -2.066 RESID 321 (A): N 123.000 123.000 121.115 1.885 RESID 321 (A): C 177.100 177.100 179.127 -2.027 RESID 321 (A): CA 55.000 55.000 54.425 0.575 RESID 321 (A): CB 18.000 18.000 18.942 -0.942 RESID 322 (M): N 120.400 120.400 115.705 4.695 RESID 322 (M): C 173.300 173.300 177.405 -4.105 RESID 322 (M): CA 56.100 56.100 55.722 0.378 RESID 323 (H): N 120.700 120.700 116.504 4.196 RESID 323 (H): C 173.200 173.200 175.737 -2.537 RESID 323 (H): CA 57.000 57.000 58.864 -1.864 RESID 323 (H): CB 29.700 29.700 28.759 0.941 N HA C CA CB H RESID 31 (M): -2.389 ----- -3.492 3.723 -0.666 ----- RESID 32 (L): 6.877 ----- -4.529 -2.646 -2.529 ----- RESID 33 (E): 12.187 ----- -3.145 -0.748 0.751 ----- RESID 34 (T): 0.310 ----- -2.895 2.917 -2.499 ----- RESID 35 (E): -1.017 ----- -7.888 -2.630 -0.855 ----- RESID 36 (T): -8.037 ----- -0.791 0.034 ----- ----- RESID 37 (L): 5.125 ----- 0.622 1.589 0.019 ----- RESID 38 (N): 0.507 ----- 0.323 -0.212 2.579 ----- RESID 39 (K): 1.151 ----- -3.739 -2.393 -2.146 ----- RESID 40 (Y): 0.813 ----- -0.822 -2.750 1.848 ----- RESID 41 (V): 1.225 ----- -1.968 -1.808 -1.482 ----- RESID 42 (V): 0.734 ----- -1.891 -1.317 -1.261 ----- RESID 43 (I): 0.338 ----- -0.469 -0.343 -0.701 ----- RESID 44 (I): -0.672 ----- -1.735 -4.967 -0.341 ----- RESID 45 (A): -1.172 ----- -4.202 -2.902 -1.394 ----- RESID 46 (Y): 1.105 ----- -2.753 -1.271 2.354 ----- RESID 47 (A): 2.033 ----- -4.779 -1.616 -2.828 ----- RESID 48 (L): -2.201 ----- -1.410 -1.018 ----- ----- RESID 49 (V): -1.552 ----- 2.872 1.090 -1.526 ----- RESID 50 (F): 4.450 ----- -5.357 1.233 3.343 ----- RESID 51 (L): 3.978 ----- -1.566 -2.103 -0.607 ----- RESID 52 (L): 6.197 ----- -5.056 -2.557 -1.312 ----- RESID 53 (S): 3.562 ----- -3.738 -2.909 ----- ----- RESID 54 (L): 0.106 ----- -1.513 -1.146 -1.373 ----- RESID 55 (L): 7.917 ----- -1.384 -1.305 -0.826 ----- RESID 56 (G): 3.052 ----- -0.268 0.321 ----- ----- RESID 57 (N): 0.017 ----- -0.559 -0.323 1.292 ----- RESID 58 (S): -5.141 ----- 3.802 -1.503 0.660 ----- RESID 59 (L): -0.902 ----- -1.407 -1.809 -0.275 ----- RESID 60 (V): 0.861 ----- -3.130 -0.920 -1.730 ----- RESID 61 (M): 0.435 ----- -1.816 -2.369 ----- ----- RESID 62 (L): 3.249 ----- -0.852 -1.937 -2.469 ----- RESID 63 (V): 0.881 ----- ----- -1.480 -2.320 ----- RESID 64 (I): 2.269 ----- -3.998 -0.509 -1.031 ----- RESID 65 (L): -2.696 ----- -3.873 -1.303 -2.500 ----- RESID 66 (Y): 5.857 ----- 1.304 -0.480 1.482 ----- RESID 67 (S): -0.633 ----- 0.307 2.083 -1.720 ----- RESID 68 (R): -6.598 ----- -2.315 1.884 ----- ----- RESID 69 (V): 4.257 ----- -1.417 3.740 -1.573 ----- RESID 70 (G): 3.409 ----- 0.280 -2.540 ----- ----- RESID 71 (R): 1.662 ----- 1.504 2.712 0.908 ----- RESID 72 (S): 3.186 ----- -1.176 1.361 ----- ----- RESID 73 (V): 4.034 ----- -0.928 1.050 -1.825 ----- RESID 74 (T): 2.116 ----- -0.114 -1.810 ----- ----- RESID 75 (D): -0.489 ----- -1.552 -1.932 -0.325 ----- RESID 76 (V): 2.778 ----- -2.361 -0.416 -1.200 ----- RESID 77 (Y): 4.535 ----- -2.453 -1.213 -1.216 ----- RESID 78 (L): -0.286 ----- -1.561 -1.685 -1.029 ----- RESID 79 (L): 5.947 ----- -2.800 -2.542 -0.592 ----- RESID 80 (N): 3.126 ----- 0.390 0.242 0.421 ----- RESID 81 (L): 1.633 ----- -2.518 -1.564 -2.740 ----- RESID 82 (A): 2.793 ----- -1.956 -1.941 -0.007 ----- RESID 83 (L): 1.398 ----- -2.316 -2.063 -1.788 ----- RESID 84 (A): 2.807 ----- -2.951 -0.836 -1.093 ----- RESID 85 (D): 0.536 ----- 0.061 -0.500 -1.398 ----- RESID 86 (L): 0.919 ----- -5.394 -2.038 -1.821 ----- RESID 87 (L): 1.717 ----- -3.602 -2.392 -1.670 ----- RESID 88 (F): 0.829 ----- -4.334 -4.403 2.711 ----- RESID 89 (A): 4.841 ----- -7.254 -1.875 -1.483 ----- RESID 90 (L): 1.787 ----- -5.334 -1.499 -2.325 ----- RESID 91 (T): 4.702 ----- 0.113 -3.771 0.578 ----- RESID 92 (L): -0.509 ----- -0.558 -4.748 1.678 ----- RESID 94 (I): 5.541 ----- -1.332 1.802 -0.010 ----- RESID 95 (W): -2.780 ----- -0.975 -2.898 -0.352 ----- RESID 96 (A): 5.718 ----- -0.560 -1.597 2.605 ----- RESID 97 (A): 2.691 ----- -1.250 -1.090 -1.604 ----- RESID 98 (S): -1.537 ----- ----- 2.905 ----- ----- RESID 99 (K): 0.005 ----- -1.422 -1.273 -3.003 ----- RESID 100 (V): 0.434 ----- -1.226 -0.772 -2.033 ----- RESID 101 (N): -1.824 ----- -2.644 -2.257 1.186 ----- RESID 102 (G): 3.596 ----- 0.795 1.076 ----- ----- RESID 103 (W): -2.162 ----- -0.633 1.538 -0.208 ----- RESID 104 (I): 6.686 ----- 0.697 0.179 -4.856 ----- RESID 105 (F): 1.451 ----- 2.151 -1.733 -0.453 ----- RESID 106 (G): -1.249 ----- 1.604 -3.148 ----- ----- RESID 107 (T): -0.645 ----- -1.501 -1.023 0.478 ----- RESID 108 (F): 0.651 ----- -3.336 0.060 -0.600 ----- RESID 109 (L): 3.027 ----- -2.787 -2.868 1.035 ----- RESID 110 (C): -0.201 ----- -1.103 -5.807 13.140 ----- RESID 111 (K): 1.253 ----- -0.347 -1.704 -2.506 ----- RESID 112 (V): 6.768 ----- -3.594 3.991 ----- ----- RESID 113 (V): 6.423 ----- -8.449 1.064 ----- ----- RESID 114 (S): 3.185 ----- -0.955 -0.896 -1.466 ----- RESID 115 (L): -3.048 ----- -4.640 -2.450 -0.744 ----- RESID 116 (L): 11.189 ----- -1.042 -2.049 -0.551 ----- RESID 117 (K): -0.306 ----- -5.747 -2.992 -2.232 ----- RESID 118 (E): 0.076 ----- -2.105 -4.458 -1.539 ----- RESID 119 (V): 6.230 ----- -3.524 -1.406 -2.787 ----- RESID 120 (N): 1.536 ----- -2.788 -0.330 0.524 ----- RESID 121 (F): 1.948 ----- -1.571 -0.255 -1.975 ----- RESID 122 (Y): 1.868 ----- -1.271 1.042 -0.867 ----- RESID 123 (S): 7.664 ----- -2.540 -4.568 -2.820 ----- RESID 124 (G): -1.157 ----- -4.673 -4.244 ----- ----- RESID 125 (I): -2.307 ----- -2.816 -1.313 -0.597 ----- RESID 126 (L): 2.178 ----- -4.896 -1.155 ----- ----- RESID 127 (L): 6.071 ----- -1.806 -3.151 0.143 ----- RESID 128 (L): 1.945 ----- -2.164 -0.691 -1.072 ----- RESID 129 (A): 3.405 ----- -3.552 -2.160 -0.412 ----- RESID 130 (C): 2.787 ----- -0.195 -1.620 2.603 ----- RESID 131 (I): -0.932 ----- -3.622 -3.100 -1.317 ----- RESID 132 (S): 1.759 ----- -1.822 1.672 3.554 ----- RESID 133 (V): 6.743 ----- 0.250 0.690 ----- ----- RESID 134 (D): 4.034 ----- -4.965 0.526 0.263 ----- RESID 135 (R): 3.786 ----- -4.269 0.365 1.110 ----- RESID 136 (Y): 1.337 ----- -2.382 -1.486 -0.916 ----- RESID 137 (L): 5.544 ----- -4.820 -2.569 0.267 ----- RESID 138 (A): 4.617 ----- -2.120 -1.395 -1.720 ----- RESID 139 (I): 3.094 ----- 0.692 -1.699 -9.071 ----- RESID 140 (V): 0.490 ----- -1.691 0.166 -2.144 ----- RESID 141 (H): -6.825 ----- 3.911 3.072 0.277 ----- RESID 142 (A): -3.809 ----- -2.664 0.575 -1.556 ----- RESID 143 (T): 2.340 ----- 2.531 -1.987 -4.626 ----- RESID 144 (R): ----- ----- ----- 0.328 -1.287 ----- RESID 145 (T): 10.288 ----- 3.701 -0.095 -5.390 ----- RESID 146 (L): 6.498 ----- -1.986 1.510 -1.413 ----- RESID 147 (T): 8.106 ----- 3.838 0.412 -7.629 ----- RESID 148 (Q): 0.426 ----- -0.273 -3.124 -0.355 ----- RESID 149 (K): -2.236 ----- -2.979 0.208 ----- ----- RESID 150 (R): 2.314 ----- -0.982 -2.200 1.475 ----- RESID 151 (H): 0.366 ----- 0.318 -0.444 0.148 ----- RESID 152 (L): 0.071 ----- -1.364 -2.342 -2.195 ----- RESID 153 (V): 3.163 ----- -4.052 -5.397 ----- ----- RESID 154 (K): -4.175 ----- -3.254 -1.087 ----- ----- RESID 155 (F): 0.277 ----- -0.704 0.032 ----- ----- RESID 156 (V): 4.133 ----- 0.087 -4.917 2.306 ----- RESID 157 (C): ----- ----- ----- -5.372 ----- ----- RESID 158 (L): 1.495 ----- -3.230 -2.865 ----- ----- RESID 159 (G): -1.000 ----- 0.210 -2.281 ----- ----- RESID 160 (C): -4.274 ----- 4.607 -4.335 1.998 ----- RESID 161 (W): -2.511 ----- -3.591 -5.394 ----- ----- RESID 162 (G): 1.747 ----- -2.537 -2.188 ----- ----- RESID 163 (L): -2.287 ----- -4.759 -1.719 -1.131 ----- RESID 164 (S): 2.018 ----- -1.960 -5.905 2.860 ----- RESID 165 (M): -0.392 ----- -1.767 -0.863 -2.822 ----- RESID 166 (N): 1.489 ----- -0.695 0.074 0.153 ----- RESID 167 (L): 0.584 ----- -0.542 7.172 -6.486 ----- RESID 168 (S): 5.230 ----- -2.590 -4.624 -5.691 ----- RESID 169 (L): -1.073 ----- 2.141 -3.479 -0.848 ----- RESID 171 (F): 1.446 ----- -2.715 2.424 ----- ----- RESID 172 (F): 0.661 ----- -3.375 -1.251 3.252 ----- RESID 173 (L): 1.984 ----- -0.925 -3.508 -5.301 ----- RESID 174 (F): 9.390 ----- 1.824 1.075 0.547 ----- RESID 175 (R): -2.201 ----- 1.379 -0.817 ----- ----- RESID 176 (Q): 2.289 ----- 3.744 -1.289 ----- ----- RESID 177 (A): 4.987 ----- 2.070 2.880 -4.225 ----- RESID 178 (Y): 5.616 ----- -0.551 1.124 2.280 ----- RESID 179 (H): 0.555 ----- 2.936 4.574 1.614 ----- RESID 181 (N): 3.694 ----- -1.710 4.003 -4.483 ----- RESID 182 (N): -7.202 ----- 2.417 0.532 ----- ----- RESID 183 (S): 0.141 ----- 2.908 -1.817 2.299 ----- RESID 184 (S): 1.187 ----- 2.822 -1.223 -1.146 ----- RESID 186 (V): -2.483 ----- 0.202 3.685 -2.983 ----- RESID 187 (C): -9.210 ----- 2.112 -2.229 11.472 ----- RESID 188 (Y): -1.224 ----- 2.460 0.329 0.096 ----- RESID 189 (E): 2.113 ----- -0.159 1.359 2.165 ----- RESID 190 (V): 5.082 ----- -3.332 2.783 -2.855 ----- RESID 191 (L): 6.422 ----- ----- -0.653 ----- ----- RESID 192 (G): 4.166 ----- 0.424 0.658 ----- ----- RESID 193 (N): -0.071 ----- ----- -2.138 0.770 ----- RESID 194 (D): 6.731 ----- -3.627 -1.010 -0.136 ----- RESID 195 (T): 7.050 ----- 0.448 -1.864 ----- ----- RESID 196 (A): 0.128 ----- -5.361 -0.635 -1.412 ----- RESID 197 (K): 6.731 ----- -1.243 2.115 -3.332 ----- RESID 198 (W): 1.626 ----- 0.690 1.833 3.686 ----- RESID 199 (R): 3.927 ----- -0.069 -2.157 1.433 ----- RESID 200 (M): 0.630 ----- -2.528 -1.252 -1.363 ----- RESID 201 (V): 6.102 ----- -2.735 0.231 -1.604 ----- RESID 202 (L): 2.457 ----- -5.760 -3.946 ----- ----- RESID 203 (R): 5.853 ----- -2.778 -2.940 1.916 ----- RESID 204 (I): 0.553 ----- -2.831 0.823 -1.750 ----- RESID 205 (L): 2.799 ----- -0.555 -5.968 ----- ----- RESID 206 (P): ----- ----- ----- -3.563 ----- ----- RESID 207 (H): -4.096 ----- -2.072 -6.976 0.066 ----- RESID 208 (T): 5.314 ----- 1.892 -3.575 ----- ----- RESID 209 (F): -3.923 ----- -1.009 0.380 ----- ----- RESID 210 (G): 4.009 ----- 0.326 -0.640 ----- ----- RESID 211 (F): 1.531 ----- -1.625 -2.198 ----- ----- RESID 212 (I): 0.228 ----- -1.870 -0.476 -0.578 ----- RESID 213 (V): 4.311 ----- 0.229 -2.618 0.682 ----- RESID 215 (L): 6.391 ----- -1.186 -1.849 -1.298 ----- RESID 216 (F): 7.056 ----- 1.110 0.038 -0.744 ----- RESID 217 (V): -1.887 ----- -2.770 -1.210 -1.646 ----- RESID 218 (M): 0.147 ----- -3.541 -4.060 0.341 ----- RESID 219 (L): -0.236 ----- -1.335 -1.993 0.081 ----- RESID 220 (F): 5.596 ----- -2.412 -1.083 ----- ----- RESID 221 (C): -0.563 ----- -1.202 -2.237 ----- ----- RESID 222 (Y): 0.532 ----- -0.150 -2.390 -0.188 ----- RESID 223 (G): 4.017 ----- -1.119 -5.268 ----- ----- RESID 224 (F): -0.686 ----- -1.599 1.263 -2.631 ----- RESID 225 (T): 3.593 ----- -1.823 -1.507 ----- ----- RESID 226 (L): 1.980 ----- -0.268 0.108 -0.703 ----- RESID 227 (R): 3.337 ----- -0.456 -3.682 -1.521 ----- RESID 228 (T): 6.531 ----- 2.192 0.651 -4.633 ----- RESID 229 (L): 2.416 ----- 1.500 2.407 1.445 ----- RESID 230 (F): -2.912 ----- -0.002 -2.630 2.552 ----- RESID 231 (K): 2.507 ----- -0.634 -0.470 -1.153 ----- RESID 232 (A): -0.626 ----- -0.024 0.745 3.701 ----- RESID 233 (H): 5.834 ----- 3.384 1.960 0.395 ----- RESID 234 (M): -1.418 ----- 1.193 2.889 -1.766 ----- RESID 235 (G): -3.530 ----- -0.746 -1.762 ----- ----- RESID 236 (Q): -1.393 ----- -3.705 -2.114 -3.344 ----- RESID 237 (K): 3.153 ----- 0.652 -3.426 -1.125 ----- RESID 238 (H): 10.204 ----- 0.380 -2.454 -1.994 ----- RESID 239 (R): 0.415 ----- -0.782 -3.094 1.137 ----- RESID 240 (A): 0.318 ----- -3.917 -2.428 -1.535 ----- RESID 241 (M): 4.171 ----- -2.918 -0.488 0.110 ----- RESID 242 (R): 0.089 ----- -1.287 -3.017 1.490 ----- RESID 243 (V): -1.036 ----- -2.099 -1.078 -2.337 ----- RESID 244 (I): -0.081 ----- -2.575 -1.056 -0.454 ----- RESID 245 (F): -1.470 ----- -2.785 -1.816 1.952 ----- RESID 246 (A): -0.545 ----- -1.707 -2.335 -1.185 ----- RESID 247 (V): 5.047 ----- -2.813 0.229 -1.876 ----- RESID 248 (V): 1.469 ----- -1.002 -2.358 -1.458 ----- RESID 249 (L): -0.911 ----- -2.678 -2.229 -1.378 ----- RESID 250 (I): 1.420 ----- -1.352 -1.148 -0.484 ----- RESID 251 (F): 5.260 ----- -1.767 -2.004 ----- ----- RESID 252 (L): -0.637 ----- -2.359 -1.374 -0.653 ----- RESID 253 (L): 0.551 ----- -1.112 -2.067 -0.996 ----- RESID 254 (C): 5.363 ----- -0.272 -1.378 -1.085 ----- RESID 255 (W): -1.000 ----- 1.534 -1.111 0.315 ----- RESID 256 (L): 1.346 ----- 2.195 -3.866 0.584 ----- RESID 258 (Y): 4.187 ----- 1.560 -3.004 3.958 ----- RESID 259 (N): 4.928 ----- -4.164 -1.600 -0.512 ----- RESID 260 (L): 0.671 ----- -3.055 -2.081 -2.687 ----- RESID 261 (V): 0.111 ----- -2.644 -1.110 -2.159 ----- RESID 262 (L): 0.464 ----- -1.353 -2.745 -1.613 ----- RESID 263 (L): 3.558 ----- -2.699 -2.176 -1.109 ----- RESID 264 (A): 0.893 ----- -4.596 -2.118 -2.147 ----- RESID 265 (D): 8.125 ----- -7.709 -1.146 ----- ----- RESID 266 (T): 6.614 ----- -1.281 -5.774 ----- ----- RESID 267 (L): 2.215 ----- -1.027 0.800 -2.054 ----- RESID 268 (M): 3.495 ----- 0.690 3.440 0.613 ----- RESID 269 (R): -3.070 ----- -1.931 -1.246 1.061 ----- RESID 270 (T): 9.516 ----- 1.717 -0.821 ----- ----- RESID 271 (Q): 1.687 ----- -0.395 2.243 ----- ----- RESID 272 (V): 0.850 ----- 0.834 0.025 3.823 ----- RESID 273 (I): -4.311 ----- 2.666 3.589 -2.164 ----- RESID 274 (Q): 1.421 ----- 1.047 -0.398 ----- ----- RESID 275 (E): 9.677 ----- 1.872 -0.133 -0.513 ----- RESID 276 (S): -2.139 ----- ----- 0.163 0.154 ----- RESID 277 (C): -3.107 ----- -1.479 -7.941 -0.641 ----- RESID 278 (E): 0.771 ----- -3.621 -1.148 -0.506 ----- RESID 279 (R): 5.074 ----- -2.281 -1.947 -0.421 ----- RESID 280 (R): 6.019 ----- -1.762 -2.147 -1.468 ----- RESID 281 (N): 2.187 ----- -2.440 -3.932 0.055 ----- RESID 282 (N): 2.479 ----- -0.888 0.099 0.579 ----- RESID 283 (I): 3.772 ----- -2.095 1.355 -1.161 ----- RESID 284 (G): 3.823 ----- 1.382 -4.111 ----- ----- RESID 286 (A): 1.180 ----- -0.747 -0.755 -1.534 ----- RESID 287 (L): 8.583 ----- -1.902 -1.364 -0.460 ----- RESID 288 (D): -3.018 ----- -0.992 -1.046 ----- ----- RESID 289 (A): 4.176 ----- -1.233 -1.504 -0.376 ----- RESID 290 (T): 4.922 ----- 0.379 -0.927 ----- ----- RESID 291 (E): -1.422 ----- -1.409 -1.645 0.383 ----- RESID 292 (I): 3.684 ----- -1.253 0.198 -0.411 ----- RESID 293 (L): 1.943 ----- -4.188 -1.403 -0.896 ----- RESID 294 (G): 1.484 ----- -2.726 -1.638 ----- ----- RESID 295 (F): 0.651 ----- -0.003 1.237 ----- ----- RESID 296 (L): 0.535 ----- -2.328 -0.857 -1.317 ----- RESID 297 (H): 5.263 ----- 1.108 0.443 1.615 ----- RESID 298 (S): 11.698 ----- 3.474 4.369 0.149 ----- RESID 299 (C): 0.492 ----- 1.857 -0.048 -2.447 ----- RESID 300 (L): -1.237 ----- 0.954 -2.642 -0.882 ----- RESID 301 (N): 0.001 ----- 2.185 -4.025 0.448 ----- RESID 302 (P): ----- ----- ----- -6.918 ----- ----- RESID 303 (I): 1.716 ----- -4.482 1.141 -1.249 ----- RESID 304 (I): 0.259 ----- -2.080 0.736 -1.490 ----- RESID 305 (Y): 1.087 ----- -2.720 -4.452 0.537 ----- RESID 306 (A): 1.944 ----- -7.221 -0.170 -1.773 ----- RESID 307 (F): 2.897 ----- -1.416 -1.149 1.382 ----- RESID 308 (I): 3.844 ----- -0.113 1.507 -1.560 ----- RESID 309 (G): 4.048 ----- 0.315 -3.528 ----- ----- RESID 310 (Q): 2.209 ----- -0.377 1.050 1.563 ----- RESID 311 (N): 1.592 ----- -1.100 0.451 0.568 ----- RESID 312 (F): 2.450 ----- -2.199 -2.826 -1.781 ----- RESID 313 (R): 2.131 ----- -3.522 -3.638 -0.512 ----- RESID 314 (H): 6.914 ----- -1.238 1.230 0.967 ----- RESID 315 (G): 0.490 ----- -1.468 0.407 ----- ----- RESID 316 (F): 3.169 ----- -1.307 -2.927 ----- ----- RESID 317 (L): 1.509 ----- -1.629 -2.205 -1.801 ----- RESID 318 (K): 1.802 ----- -1.651 -3.660 -2.141 ----- RESID 319 (I): 1.823 ----- -2.068 0.293 -1.611 ----- RESID 320 (L): 1.701 ----- -1.378 -1.639 -2.066 ----- RESID 321 (A): 1.885 ----- -2.027 0.575 -0.942 ----- RESID 322 (M): 4.695 ----- -4.105 0.378 ----- ----- RESID 323 (H): 4.196 ----- -2.537 -1.864 0.941 ----- DATA CS_STAT_INFO N RMS: 3.863 ppm Count: 283 Average Difference: -1.893 +/- 3.374 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 2.622 ppm Count: 278 Average Difference: 1.358 +/- 2.247 ppm DATA CS_STAT_INFO CA RMS: 2.453 ppm Count: 287 Average Difference: 1.128 +/- 2.182 ppm DATA CS_STAT_INFO CB RMS: 2.565 ppm Count: 226 Average Difference: 0.532 +/- 2.515 ppm DATA CS_STAT_INFO HN RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm ############################################################################ For conformer 9: Atom Original Corrected SPARTA Difference RESID 30 (C): N 122.700 122.700 121.821 0.879 RESID 30 (C): C 177.500 177.500 176.344 1.156 RESID 30 (C): CA 56.000 56.000 58.742 -2.742 RESID 30 (C): CB 40.300 40.300 27.612 12.688 RESID 31 (M): N 117.900 117.900 118.458 -0.558 RESID 31 (M): C 173.200 173.200 175.355 -2.155 RESID 31 (M): CA 58.150 58.150 56.802 1.348 RESID 31 (M): CB 31.100 31.100 29.829 1.271 RESID 32 (L): N 125.300 125.300 119.753 5.547 RESID 32 (L): C 173.500 173.500 178.219 -4.719 RESID 32 (L): CA 53.780 53.780 56.870 -3.090 RESID 32 (L): CB 39.660 39.660 42.057 -2.397 RESID 33 (E): N 129.900 129.900 117.965 11.935 RESID 33 (E): C 173.200 173.200 176.780 -3.580 RESID 33 (E): CA 55.900 55.900 56.959 -1.059 RESID 33 (E): CB 31.000 31.000 30.172 0.829 RESID 34 (T): N 113.900 113.900 116.597 -2.697 RESID 34 (T): C 172.500 172.500 174.689 -2.189 RESID 34 (T): CA 63.500 63.500 62.175 1.325 RESID 34 (T): CB 67.200 67.200 69.274 -2.074 RESID 35 (E): N 125.300 125.300 126.246 -0.946 RESID 35 (E): C 169.500 169.500 177.690 -8.190 RESID 35 (E): CA 55.840 55.840 59.817 -3.977 RESID 35 (E): CB 28.120 28.120 29.336 -1.216 RESID 36 (T): N 106.700 106.700 111.795 -5.095 RESID 36 (T): C 174.200 174.200 174.953 -0.753 RESID 36 (T): CA 65.000 65.000 64.224 0.776 RESID 37 (L): N 120.100 120.100 116.652 3.448 RESID 37 (L): C 177.500 177.500 176.634 0.866 RESID 37 (L): CA 56.400 56.400 54.862 1.538 RESID 37 (L): CB 39.800 39.800 39.372 0.428 RESID 38 (N): N 118.400 118.400 117.988 0.412 RESID 38 (N): C 177.600 177.600 177.044 0.556 RESID 38 (N): CA 55.900 55.900 55.929 -0.029 RESID 38 (N): CB 40.870 40.870 38.652 2.218 RESID 39 (K): N 121.500 121.500 120.719 0.781 RESID 39 (K): C 174.300 174.300 178.675 -4.375 RESID 39 (K): CA 56.700 56.700 59.247 -2.547 RESID 39 (K): CB 29.900 29.900 31.742 -1.842 RESID 40 (Y): N 120.100 120.100 118.381 1.719 RESID 40 (Y): C 176.800 176.800 177.660 -0.860 RESID 40 (Y): CA 58.200 58.200 60.062 -1.862 RESID 40 (Y): CB 40.000 40.000 37.619 2.381 RESID 41 (V): N 120.700 120.700 119.369 1.331 RESID 41 (V): C 176.000 176.000 177.440 -1.440 RESID 41 (V): CA 65.000 65.000 65.593 -0.593 RESID 41 (V): CB 29.750 29.750 31.222 -1.472 RESID 42 (V): N 121.200 121.200 119.380 1.820 RESID 42 (V): C 176.200 176.200 177.876 -1.676 RESID 42 (V): CA 65.560 65.560 66.749 -1.189 RESID 42 (V): CB 29.700 29.700 31.488 -1.788 RESID 43 (I): N 120.900 120.900 120.724 0.176 RESID 43 (I): C 177.000 177.000 177.232 -0.232 RESID 43 (I): CA 64.300 64.300 64.098 0.202 RESID 43 (I): CB 36.600 36.600 37.555 -0.955 RESID 44 (I): N 120.500 120.500 121.023 -0.523 RESID 44 (I): C 175.000 175.000 176.603 -1.603 RESID 44 (I): CA 59.700 59.700 65.005 -5.305 RESID 44 (I): CB 37.000 37.000 37.145 -0.145 RESID 45 (A): N 121.600 121.600 122.001 -0.401 RESID 45 (A): C 175.700 175.700 179.696 -3.996 RESID 45 (A): CA 52.700 52.700 55.221 -2.521 RESID 45 (A): CB 16.600 16.600 17.628 -1.028 RESID 46 (Y): N 120.400 120.400 120.319 0.081 RESID 46 (Y): C 175.400 175.400 177.408 -2.008 RESID 46 (Y): CA 58.530 58.530 61.695 -3.165 RESID 46 (Y): CB 39.850 39.850 38.500 1.350 RESID 47 (A): N 124.700 124.700 122.776 1.924 RESID 47 (A): C 174.800 174.800 179.599 -4.799 RESID 47 (A): CA 53.800 53.800 55.500 -1.700 RESID 47 (A): CB 15.530 15.530 18.138 -2.608 RESID 48 (L): N 117.700 117.700 119.133 -1.433 RESID 48 (L): C 177.400 177.400 178.965 -1.565 RESID 48 (L): CA 56.860 56.860 57.949 -1.089 RESID 49 (V): N 118.400 118.400 120.555 -2.155 RESID 49 (V): C 181.100 181.100 177.935 3.165 RESID 49 (V): CA 67.800 67.800 66.198 1.602 RESID 49 (V): CB 29.900 29.900 31.360 -1.460 RESID 50 (F): N 124.700 124.700 120.116 4.584 RESID 50 (F): C 171.900 171.900 177.025 -5.125 RESID 50 (F): CA 61.600 61.600 59.947 1.653 RESID 50 (F): CB 42.620 42.620 38.598 4.022 RESID 51 (L): N 125.600 125.600 121.497 4.103 RESID 51 (L): C 176.600 176.600 177.804 -1.204 RESID 51 (L): CA 55.850 55.850 58.198 -2.348 RESID 51 (L): CB 40.220 40.220 41.434 -1.214 RESID 52 (L): N 122.800 122.800 118.514 4.286 RESID 52 (L): C 173.700 173.700 178.584 -4.884 RESID 52 (L): CA 56.300 56.300 58.551 -2.251 RESID 52 (L): CB 39.200 39.200 41.343 -2.143 RESID 53 (S): N 118.700 118.700 114.052 4.648 RESID 53 (S): C 173.000 173.000 177.037 -4.037 RESID 53 (S): CA 58.200 58.200 60.970 -2.770 RESID 54 (L): N 123.500 123.500 125.105 -1.605 RESID 54 (L): C 176.800 176.800 177.888 -1.088 RESID 54 (L): CA 56.400 56.400 58.057 -1.657 RESID 54 (L): CB 40.000 40.000 41.562 -1.562 RESID 55 (L): N 124.600 124.600 115.114 9.486 RESID 55 (L): C 177.200 177.200 179.308 -2.108 RESID 55 (L): CA 56.000 56.000 57.584 -1.583 RESID 55 (L): CB 40.000 40.000 40.690 -0.690 RESID 56 (G): N 109.600 109.600 107.824 1.776 RESID 56 (G): C 174.800 174.800 175.901 -1.101 RESID 56 (G): CA 47.400 47.400 47.077 0.323 RESID 57 (N): N 118.200 118.200 120.587 -2.387 RESID 57 (N): C 176.900 176.900 177.922 -1.022 RESID 57 (N): CA 55.700 55.700 57.172 -1.472 RESID 57 (N): CB 39.300 39.300 38.615 0.685 RESID 58 (S): N 111.300 111.300 115.737 -4.437 RESID 58 (S): C 180.100 180.100 175.851 4.249 RESID 58 (S): CA 59.900 59.900 61.797 -1.897 RESID 58 (S): CB 63.300 63.300 62.457 0.843 RESID 59 (L): N 121.100 121.100 122.485 -1.385 RESID 59 (L): C 177.400 177.400 178.406 -1.006 RESID 59 (L): CA 56.150 56.150 57.409 -1.259 RESID 59 (L): CB 41.000 41.000 41.047 -0.047 RESID 60 (V): N 119.300 119.300 119.248 0.052 RESID 60 (V): C 175.200 175.200 178.841 -3.641 RESID 60 (V): CA 65.400 65.400 66.464 -1.064 RESID 60 (V): CB 29.500 29.500 30.987 -1.487 RESID 61 (M): N 118.900 118.900 120.353 -1.453 RESID 61 (M): C 176.500 176.500 178.241 -1.741 RESID 61 (M): CA 55.840 55.840 58.703 -2.863 RESID 62 (L): N 122.100 122.100 117.809 4.291 RESID 62 (L): C 177.700 177.700 178.904 -1.204 RESID 62 (L): CA 56.160 56.160 58.005 -1.845 RESID 62 (L): CB 39.110 39.110 40.610 -1.500 RESID 63 (V): N 121.100 121.100 120.074 1.026 RESID 63 (V): CA 64.850 64.850 66.875 -2.025 RESID 63 (V): CB 29.600 29.600 32.145 -2.545 RESID 64 (I): N 121.000 121.000 118.173 2.827 RESID 64 (I): C 175.100 175.100 179.061 -3.961 RESID 64 (I): CA 64.400 64.400 63.809 0.591 RESID 64 (I): CB 36.600 36.600 36.500 0.100 RESID 65 (L): N 119.000 119.000 122.303 -3.303 RESID 65 (L): C 173.800 173.800 177.988 -4.188 RESID 65 (L): CA 56.200 56.200 57.731 -1.531 RESID 65 (L): CB 39.300 39.300 41.855 -2.555 RESID 66 (Y): N 120.200 120.200 114.338 5.862 RESID 66 (Y): C 176.700 176.700 175.563 1.137 RESID 66 (Y): CA 58.340 58.340 58.712 -0.372 RESID 66 (Y): CB 40.000 40.000 38.480 1.520 RESID 67 (S): N 116.700 116.700 116.046 0.654 RESID 67 (S): C 175.400 175.400 175.561 -0.161 RESID 67 (S): CA 60.000 60.000 56.720 3.280 RESID 67 (S): CB 62.000 62.000 63.415 -1.415 RESID 68 (R): N 121.500 121.500 128.421 -6.921 RESID 68 (R): C 175.300 175.300 177.604 -2.304 RESID 68 (R): CA 60.400 60.400 58.847 1.553 RESID 69 (V): N 120.600 120.600 117.679 2.921 RESID 69 (V): C 174.600 174.600 176.101 -1.501 RESID 69 (V): CA 65.800 65.800 62.213 3.587 RESID 69 (V): CB 29.850 29.850 31.465 -1.615 RESID 70 (G): N 110.700 110.700 109.456 1.244 RESID 70 (G): C 174.400 174.400 173.145 1.255 RESID 70 (G): CA 41.700 41.700 44.919 -3.219 RESID 71 (R): N 122.900 122.900 119.021 3.879 RESID 71 (R): C 176.500 176.500 175.388 1.112 RESID 71 (R): CA 56.800 56.800 54.484 2.316 RESID 71 (R): CB 29.900 29.900 28.716 1.184 RESID 72 (S): N 117.300 117.300 115.383 1.917 RESID 72 (S): C 174.300 174.300 176.189 -1.889 RESID 72 (S): CA 57.800 57.800 56.114 1.686 RESID 73 (V): N 120.400 120.400 118.839 1.561 RESID 73 (V): C 175.700 175.700 176.665 -0.965 RESID 73 (V): CA 66.100 66.100 64.880 1.220 RESID 73 (V): CB 29.650 29.650 31.565 -1.915 RESID 74 (T): N 117.300 117.300 111.461 5.839 RESID 74 (T): C 175.800 175.800 175.327 0.473 RESID 74 (T): CA 64.000 64.000 64.465 -0.465 RESID 75 (D): N 122.900 122.900 123.508 -0.608 RESID 75 (D): C 176.500 176.500 177.925 -1.425 RESID 75 (D): CA 56.000 56.000 57.169 -1.169 RESID 75 (D): CB 40.300 40.300 40.183 0.117 RESID 76 (V): N 120.800 120.800 120.357 0.443 RESID 76 (V): C 175.600 175.600 177.529 -1.929 RESID 76 (V): CA 66.400 66.400 65.197 1.203 RESID 76 (V): CB 30.400 30.400 31.185 -0.785 RESID 77 (Y): N 123.800 123.800 119.338 4.462 RESID 77 (Y): C 175.700 175.700 177.872 -2.172 RESID 77 (Y): CA 60.560 60.560 62.008 -1.448 RESID 77 (Y): CB 37.000 37.000 37.894 -0.894 RESID 78 (L): N 121.000 121.000 118.062 2.938 RESID 78 (L): C 176.500 176.500 178.725 -2.225 RESID 78 (L): CA 55.900 55.900 57.893 -1.993 RESID 78 (L): CB 40.000 40.000 39.957 0.043 RESID 79 (L): N 126.200 126.200 121.154 5.046 RESID 79 (L): C 176.000 176.000 178.173 -2.173 RESID 79 (L): CA 55.800 55.800 57.961 -2.161 RESID 79 (L): CB 40.240 40.240 40.892 -0.652 RESID 80 (N): N 121.300 121.300 118.388 2.912 RESID 80 (N): C 178.100 178.100 177.883 0.217 RESID 80 (N): CA 56.500 56.500 56.365 0.135 RESID 80 (N): CB 39.100 39.100 38.984 0.116 RESID 81 (L): N 124.100 124.100 121.728 2.372 RESID 81 (L): C 176.300 176.300 178.667 -2.367 RESID 81 (L): CA 56.000 56.000 57.847 -1.847 RESID 81 (L): CB 38.100 38.100 40.810 -2.710 RESID 82 (A): N 124.700 124.700 121.806 2.894 RESID 82 (A): C 177.500 177.500 179.676 -2.176 RESID 82 (A): CA 53.400 53.400 55.265 -1.865 RESID 82 (A): CB 18.300 18.300 18.203 0.097 RESID 83 (L): N 121.400 121.400 120.170 1.230 RESID 83 (L): C 176.500 176.500 178.625 -2.125 RESID 83 (L): CA 55.900 55.900 57.714 -1.814 RESID 83 (L): CB 40.200 40.200 41.200 -1.000 RESID 84 (A): N 123.900 123.900 121.294 2.606 RESID 84 (A): C 176.600 176.600 178.426 -1.826 RESID 84 (A): CA 54.400 54.400 55.125 -0.725 RESID 84 (A): CB 16.600 16.600 17.723 -1.123 RESID 85 (D): N 120.300 120.300 119.436 0.864 RESID 85 (D): C 178.400 178.400 177.775 0.625 RESID 85 (D): CA 56.330 56.330 56.763 -0.433 RESID 85 (D): CB 39.850 39.850 41.062 -1.212 RESID 86 (L): N 122.700 122.700 121.298 1.402 RESID 86 (L): C 173.600 173.600 179.444 -5.844 RESID 86 (L): CA 56.300 56.300 57.968 -1.668 RESID 86 (L): CB 39.500 39.500 41.361 -1.861 RESID 87 (L): N 122.000 122.000 120.666 1.334 RESID 87 (L): C 175.600 175.600 179.004 -3.404 RESID 87 (L): CA 56.150 56.150 58.620 -2.470 RESID 87 (L): CB 40.000 40.000 41.827 -1.827 RESID 88 (F): N 119.200 119.200 118.115 1.085 RESID 88 (F): C 173.900 173.900 178.109 -4.209 RESID 88 (F): CA 55.900 55.900 59.721 -3.821 RESID 88 (F): CB 40.400 40.400 37.015 3.385 RESID 89 (A): N 126.600 126.600 121.535 5.065 RESID 89 (A): C 172.900 172.900 180.283 -7.383 RESID 89 (A): CA 53.100 53.100 54.912 -1.812 RESID 89 (A): CB 17.000 17.000 18.225 -1.225 RESID 90 (L): N 119.700 119.700 117.391 2.309 RESID 90 (L): C 172.500 172.500 177.955 -5.455 RESID 90 (L): CA 56.500 56.500 57.872 -1.372 RESID 90 (L): CB 39.900 39.900 42.285 -2.385 RESID 91 (T): N 115.300 115.300 113.422 1.878 RESID 91 (T): C 176.400 176.400 175.569 0.831 RESID 91 (T): CA 60.000 60.000 64.735 -4.735 RESID 91 (T): CB 69.500 69.500 69.150 0.350 RESID 92 (L): N 123.000 123.000 123.362 -0.362 RESID 92 (L): C 175.400 175.400 175.084 0.316 RESID 92 (L): CA 55.600 55.600 60.796 -5.196 RESID 92 (L): CB 40.800 40.800 40.294 0.506 RESID 94 (I): N 121.000 121.000 115.501 5.499 RESID 94 (I): C 176.800 176.800 177.903 -1.103 RESID 94 (I): CA 64.300 64.300 64.276 0.024 RESID 94 (I): CB 36.600 36.600 37.441 -0.841 RESID 95 (W): N 120.500 120.500 122.933 -2.433 RESID 95 (W): C 176.700 176.700 177.637 -0.937 RESID 95 (W): CA 58.100 58.100 60.119 -2.019 RESID 95 (W): CB 29.000 29.000 29.125 -0.125 RESID 96 (A): N 126.300 126.300 120.552 5.748 RESID 96 (A): C 178.300 178.300 178.912 -0.612 RESID 96 (A): CA 52.400 52.400 54.080 -1.680 RESID 96 (A): CB 20.400 20.400 17.558 2.841 RESID 97 (A): N 123.200 123.200 119.780 3.420 RESID 97 (A): C 178.000 178.000 179.755 -1.755 RESID 97 (A): CA 53.600 53.600 55.051 -1.451 RESID 97 (A): CB 16.700 16.700 18.029 -1.329 RESID 98 (S): N 109.400 109.400 112.340 -2.940 RESID 98 (S): CA 63.000 63.000 60.496 2.504 RESID 99 (K): N 121.500 121.500 121.346 0.154 RESID 99 (K): C 177.300 177.300 178.655 -1.355 RESID 99 (K): CA 56.100 56.100 57.158 -1.058 RESID 99 (K): CB 30.700 30.700 33.118 -2.418 RESID 100 (V): N 121.200 121.200 120.968 0.232 RESID 100 (V): C 176.300 176.300 177.476 -1.176 RESID 100 (V): CA 64.900 64.900 66.109 -1.209 RESID 100 (V): CB 29.850 29.850 31.818 -1.968 RESID 101 (N): N 116.700 116.700 117.757 -1.057 RESID 101 (N): C 173.800 173.800 176.296 -2.496 RESID 101 (N): CA 52.300 52.300 54.610 -2.310 RESID 101 (N): CB 39.700 39.700 39.028 0.672 RESID 102 (G): N 109.500 109.500 106.420 3.080 RESID 102 (G): C 174.600 174.600 173.033 1.567 RESID 102 (G): CA 45.900 45.900 44.255 1.645 RESID 103 (W): N 117.700 117.700 118.090 -0.390 RESID 103 (W): C 173.900 173.900 174.485 -0.585 RESID 103 (W): CA 58.000 58.000 56.181 1.819 RESID 103 (W): CB 31.000 31.000 31.555 -0.555 RESID 104 (I): N 124.300 124.300 114.454 9.846 RESID 104 (I): C 175.700 175.700 174.245 1.455 RESID 104 (I): CA 60.400 60.400 59.870 0.530 RESID 104 (I): CB 35.600 35.600 40.182 -4.582 RESID 105 (F): N 121.100 121.100 119.088 2.012 RESID 105 (F): C 177.200 177.200 174.850 2.350 RESID 105 (F): CA 55.700 55.700 57.881 -2.181 RESID 105 (F): CB 40.500 40.500 40.861 -0.361 RESID 106 (G): N 110.000 110.000 114.345 -4.345 RESID 106 (G): C 174.500 174.500 173.408 1.092 RESID 106 (G): CA 41.900 41.900 44.474 -2.574 RESID 107 (T): N 114.700 114.700 115.249 -0.549 RESID 107 (T): C 173.500 173.500 174.318 -0.818 RESID 107 (T): CA 60.500 60.500 61.679 -1.179 RESID 107 (T): CB 69.700 69.700 69.613 0.087 RESID 108 (F): N 124.200 124.200 122.713 1.487 RESID 108 (F): C 173.500 173.500 177.212 -3.712 RESID 108 (F): CA 60.000 60.000 61.431 -1.431 RESID 108 (F): CB 37.030 37.030 38.567 -1.537 RESID 109 (L): N 123.200 123.200 119.346 3.854 RESID 109 (L): C 176.000 176.000 178.399 -2.399 RESID 109 (L): CA 55.500 55.500 58.047 -2.547 RESID 109 (L): CB 40.900 40.900 40.503 0.397 RESID 110 (C): N 117.600 117.600 117.344 0.256 RESID 110 (C): C 176.700 176.700 177.062 -0.362 RESID 110 (C): CA 55.700 55.700 62.017 -6.317 RESID 110 (C): CB 39.400 39.400 25.515 13.885 RESID 111 (K): N 121.600 121.600 121.048 0.552 RESID 111 (K): C 176.400 176.400 176.812 -0.412 RESID 111 (K): CA 57.300 57.300 58.843 -1.543 RESID 111 (K): CB 30.000 30.000 31.902 -1.902 RESID 112 (V): N 123.600 123.600 117.171 6.429 RESID 112 (V): C 174.100 174.100 177.447 -3.347 RESID 112 (V): CA 68.000 68.000 63.993 4.007 RESID 113 (V): N 127.800 127.800 121.058 6.742 RESID 113 (V): C 169.600 169.600 177.885 -8.285 RESID 113 (V): CA 68.800 68.800 67.525 1.275 RESID 114 (S): N 117.500 117.500 114.663 2.837 RESID 114 (S): C 175.200 175.200 176.339 -1.139 RESID 114 (S): CA 60.200 60.200 61.163 -0.964 RESID 114 (S): CB 61.890 61.890 62.454 -0.564 RESID 115 (L): N 120.000 120.000 124.014 -4.014 RESID 115 (L): C 173.700 173.700 178.280 -4.580 RESID 115 (L): CA 55.900 55.900 58.287 -2.387 RESID 115 (L): CB 40.600 40.600 41.332 -0.732 RESID 116 (L): N 126.000 126.000 116.596 9.404 RESID 116 (L): C 177.800 177.800 178.739 -0.939 RESID 116 (L): CA 55.900 55.900 57.853 -1.953 RESID 116 (L): CB 40.250 40.250 41.189 -0.939 RESID 117 (K): N 120.900 120.900 120.150 0.750 RESID 117 (K): C 173.200 173.200 178.345 -5.145 RESID 117 (K): CA 57.000 57.000 59.211 -2.211 RESID 117 (K): CB 29.800 29.800 31.606 -1.806 RESID 118 (E): N 118.900 118.900 119.116 -0.216 RESID 118 (E): C 177.100 177.100 178.700 -1.600 RESID 118 (E): CA 55.300 55.300 59.348 -4.048 RESID 118 (E): CB 28.000 28.000 29.625 -1.625 RESID 119 (V): N 123.400 123.400 117.233 6.167 RESID 119 (V): C 173.600 173.600 177.381 -3.781 RESID 119 (V): CA 65.330 65.330 66.506 -1.176 RESID 119 (V): CB 29.250 29.250 31.451 -2.201 RESID 120 (N): N 120.300 120.300 118.279 2.021 RESID 120 (N): C 174.500 174.500 177.601 -3.101 RESID 120 (N): CA 55.800 55.800 56.149 -0.349 RESID 120 (N): CB 38.900 38.900 38.341 0.559 RESID 121 (F): N 123.600 123.600 119.183 4.417 RESID 121 (F): C 175.500 175.500 178.082 -2.582 RESID 121 (F): CA 60.500 60.500 59.365 1.135 RESID 121 (F): CB 37.000 37.000 38.467 -1.467 RESID 122 (Y): N 120.500 120.500 118.478 2.022 RESID 122 (Y): C 176.100 176.100 178.234 -2.134 RESID 122 (Y): CA 60.900 60.900 60.862 0.038 RESID 122 (Y): CB 37.300 37.300 38.325 -1.025 RESID 123 (S): N 124.600 124.600 116.468 8.132 RESID 123 (S): C 173.900 173.900 176.460 -2.560 RESID 123 (S): CA 57.740 57.740 62.325 -4.585 RESID 123 (S): CB 59.870 59.870 62.649 -2.779 RESID 124 (G): N 107.700 107.700 110.111 -2.411 RESID 124 (G): C 171.000 171.000 176.107 -5.107 RESID 124 (G): CA 42.750 42.750 47.479 -4.729 RESID 125 (I): N 119.500 119.500 122.905 -3.405 RESID 125 (I): C 175.200 175.200 178.043 -2.843 RESID 125 (I): CA 62.950 62.950 63.788 -0.838 RESID 125 (I): CB 36.960 36.960 37.976 -1.016 RESID 126 (L): N 122.300 122.300 120.306 1.994 RESID 126 (L): C 173.600 173.600 179.134 -5.534 RESID 126 (L): CA 56.250 56.250 57.383 -1.133 RESID 127 (L): N 126.500 126.500 121.734 4.766 RESID 127 (L): C 176.100 176.100 178.520 -2.420 RESID 127 (L): CA 55.220 55.220 58.602 -3.382 RESID 127 (L): CB 41.670 41.670 41.858 -0.189 RESID 128 (L): N 121.000 121.000 119.118 1.882 RESID 128 (L): C 175.600 175.600 178.010 -2.410 RESID 128 (L): CA 57.170 57.170 57.997 -0.827 RESID 128 (L): CB 40.300 40.300 41.619 -1.319 RESID 129 (A): N 125.800 125.800 123.060 2.740 RESID 129 (A): C 176.000 176.000 179.731 -3.731 RESID 129 (A): CA 52.970 52.970 55.028 -2.058 RESID 129 (A): CB 17.000 17.000 17.760 -0.760 RESID 130 (C): N 120.300 120.300 117.143 3.157 RESID 130 (C): C 177.000 177.000 176.929 0.071 RESID 130 (C): CA 62.070 62.070 64.580 -2.510 RESID 130 (C): CB 29.880 29.880 27.372 2.508 RESID 131 (I): N 121.300 121.300 122.399 -1.099 RESID 131 (I): C 174.000 174.000 178.199 -4.199 RESID 131 (I): CA 63.080 63.080 64.137 -1.057 RESID 131 (I): CB 36.220 36.220 37.857 -1.637 RESID 132 (S): N 117.700 117.700 116.341 1.359 RESID 132 (S): C 175.100 175.100 176.713 -1.613 RESID 132 (S): CA 63.990 63.990 62.223 1.767 RESID 132 (S): CB 66.120 66.120 62.712 3.409 RESID 133 (V): N 129.800 129.800 123.435 6.365 RESID 133 (V): C 177.700 177.700 177.576 0.124 RESID 133 (V): CA 68.050 68.050 66.995 1.055 RESID 134 (D): N 124.000 124.000 119.483 4.517 RESID 134 (D): C 174.100 174.100 178.654 -4.554 RESID 134 (D): CA 57.500 57.500 57.236 0.264 RESID 134 (D): CB 40.400 40.400 40.597 -0.197 RESID 135 (R): N 124.200 124.200 120.074 4.126 RESID 135 (R): C 174.400 174.400 178.874 -4.474 RESID 135 (R): CA 58.420 58.420 59.295 -0.875 RESID 135 (R): CB 30.700 30.700 30.031 0.669 RESID 136 (Y): N 121.000 121.000 119.763 1.237 RESID 136 (Y): C 176.400 176.400 178.143 -1.743 RESID 136 (Y): CA 60.250 60.250 60.876 -0.626 RESID 136 (Y): CB 37.350 37.350 38.022 -0.672 RESID 137 (L): N 121.400 121.400 117.547 3.853 RESID 137 (L): C 173.700 173.700 177.907 -4.207 RESID 137 (L): CA 54.870 54.870 56.537 -1.667 RESID 137 (L): CB 41.670 41.670 42.298 -0.628 RESID 138 (A): N 125.800 125.800 120.812 4.988 RESID 138 (A): C 176.100 176.100 178.377 -2.277 RESID 138 (A): CA 52.860 52.860 54.414 -1.554 RESID 138 (A): CB 17.270 17.270 19.806 -2.536 RESID 139 (I): N 120.000 120.000 117.141 2.859 RESID 139 (I): C 175.700 175.700 175.798 -0.098 RESID 139 (I): CA 60.000 60.000 61.591 -1.591 RESID 139 (I): CB 30.290 30.290 39.525 -9.235 RESID 140 (V): N 118.700 118.700 119.724 -1.024 RESID 140 (V): C 173.900 173.900 174.773 -0.873 RESID 140 (V): CA 61.920 61.920 61.066 0.854 RESID 140 (V): CB 30.900 30.900 32.600 -1.700 RESID 141 (H): N 117.200 117.200 123.356 -6.156 RESID 141 (H): C 177.900 177.900 173.627 4.273 RESID 141 (H): CA 58.860 58.860 56.054 2.806 RESID 141 (H): CB 30.090 30.090 29.554 0.536 RESID 142 (A): N 121.200 121.200 124.309 -3.109 RESID 142 (A): C 174.600 174.600 176.736 -2.136 RESID 142 (A): CA 53.170 53.170 52.060 1.110 RESID 142 (A): CB 16.580 16.580 18.533 -1.953 RESID 143 (T): N 118.000 118.000 117.410 0.590 RESID 143 (T): C 177.000 177.000 174.648 2.352 RESID 143 (T): CA 62.520 62.520 64.704 -2.184 RESID 143 (T): CB 64.330 64.330 69.061 -4.731 RESID 144 (R): CA 57.250 57.250 57.923 -0.673 RESID 144 (R): CB 30.340 30.340 30.773 -0.433 RESID 145 (T): N 119.700 119.700 110.080 9.620 RESID 145 (T): C 177.000 177.000 173.677 3.323 RESID 145 (T): CA 62.370 62.370 63.206 -0.836 RESID 145 (T): CB 64.120 64.120 68.864 -4.744 RESID 146 (L): N 127.900 127.900 122.244 5.656 RESID 146 (L): C 173.200 173.200 175.768 -2.568 RESID 146 (L): CA 55.790 55.790 54.413 1.377 RESID 146 (L): CB 40.570 40.570 41.974 -1.404 RESID 147 (T): N 124.000 124.000 113.026 10.974 RESID 147 (T): C 177.700 177.700 174.229 3.471 RESID 147 (T): CA 62.050 62.050 61.491 0.559 RESID 147 (T): CB 63.770 63.770 70.967 -7.197 RESID 148 (Q): N 122.800 122.800 121.170 1.630 RESID 148 (Q): C 176.700 176.700 177.288 -0.588 RESID 148 (Q): CA 53.470 53.470 56.374 -2.904 RESID 148 (Q): CB 29.310 29.310 30.015 -0.705 RESID 149 (K): N 120.900 120.900 122.518 -1.618 RESID 149 (K): C 175.900 175.900 178.322 -2.422 RESID 149 (K): CA 59.440 59.440 59.107 0.333 RESID 150 (R): N 122.200 122.200 119.816 2.384 RESID 150 (R): C 177.500 177.500 178.071 -0.571 RESID 150 (R): CA 56.700 56.700 59.069 -2.369 RESID 150 (R): CB 31.150 31.150 29.136 2.014 RESID 151 (H): N 117.300 117.300 116.904 0.396 RESID 151 (H): C 177.800 177.800 176.624 1.176 RESID 151 (H): CA 59.130 59.130 58.832 0.298 RESID 151 (H): CB 29.400 29.400 29.156 0.244 RESID 152 (L): N 120.400 120.400 120.111 0.289 RESID 152 (L): C 176.800 176.800 177.612 -0.812 RESID 152 (L): CA 56.150 56.150 57.689 -1.539 RESID 152 (L): CB 39.810 39.810 41.556 -1.746 RESID 153 (V): N 121.500 121.500 118.289 3.211 RESID 153 (V): C 174.300 174.300 177.781 -3.481 RESID 153 (V): CA 61.240 61.240 66.739 -5.498 RESID 154 (K): N 117.000 117.000 121.545 -4.545 RESID 154 (K): C 175.300 175.300 178.248 -2.948 RESID 154 (K): CA 59.000 59.000 58.776 0.224 RESID 155 (F): N 121.100 121.100 117.284 3.816 RESID 155 (F): C 176.600 176.600 178.143 -1.543 RESID 155 (F): CA 61.200 61.200 59.397 1.803 RESID 156 (V): N 123.800 123.800 120.683 3.117 RESID 156 (V): C 177.700 177.700 177.749 -0.049 RESID 156 (V): CA 62.170 62.170 67.528 -5.358 RESID 156 (V): CB 33.400 33.400 31.474 1.926 RESID 157 (C): CA 58.260 58.260 64.283 -6.023 RESID 158 (L): N 122.900 122.900 120.589 2.311 RESID 158 (L): C 175.500 175.500 178.843 -3.343 RESID 158 (L): CA 55.750 55.750 58.084 -2.334 RESID 159 (G): N 104.900 104.900 106.047 -1.147 RESID 159 (G): C 176.200 176.200 175.970 0.230 RESID 159 (G): CA 44.750 44.750 47.068 -2.318 RESID 160 (C): N 116.700 116.700 121.008 -4.308 RESID 160 (C): C 181.100 181.100 176.717 4.383 RESID 160 (C): CA 59.000 59.000 62.604 -3.604 RESID 160 (C): CB 29.130 29.130 27.406 1.724 RESID 161 (W): N 119.000 119.000 121.875 -2.875 RESID 161 (W): C 174.900 174.900 178.807 -3.907 RESID 161 (W): CA 55.880 55.880 60.208 -4.328 RESID 162 (G): N 108.300 108.300 106.116 2.184 RESID 162 (G): C 173.600 173.600 175.974 -2.374 RESID 162 (G): CA 45.100 45.100 47.126 -2.026 RESID 163 (L): N 120.200 120.200 122.422 -2.222 RESID 163 (L): C 173.500 173.500 178.393 -4.893 RESID 163 (L): CA 55.800 55.800 57.659 -1.859 RESID 163 (L): CB 39.850 39.850 41.398 -1.548 RESID 164 (S): N 117.200 117.200 115.580 1.620 RESID 164 (S): C 175.000 175.000 176.872 -1.872 RESID 164 (S): CA 55.600 55.600 61.329 -5.729 RESID 164 (S): CB 65.660 65.660 62.724 2.936 RESID 165 (M): N 121.200 121.200 122.377 -1.177 RESID 165 (M): C 175.500 175.500 177.301 -1.801 RESID 165 (M): CA 57.600 57.600 59.373 -1.773 RESID 165 (M): CB 30.000 30.000 32.782 -2.782 RESID 166 (N): N 120.200 120.200 117.947 2.253 RESID 166 (N): C 176.500 176.500 177.248 -0.748 RESID 166 (N): CA 56.080 56.080 55.960 0.120 RESID 166 (N): CB 38.940 38.940 38.331 0.609 RESID 167 (L): N 120.800 120.800 118.648 2.152 RESID 167 (L): C 177.200 177.200 178.203 -1.003 RESID 167 (L): CA 64.900 64.900 56.677 8.223 RESID 167 (L): CB 36.400 36.400 42.515 -6.115 RESID 168 (S): N 119.400 119.400 114.083 5.317 RESID 168 (S): C 174.100 174.100 176.321 -2.221 RESID 168 (S): CA 55.700 55.700 59.510 -3.810 RESID 168 (S): CB 57.600 57.600 63.304 -5.704 RESID 169 (L): N 122.900 122.900 123.985 -1.085 RESID 169 (L): C 177.500 177.500 175.342 2.158 RESID 169 (L): CA 56.460 56.460 60.084 -3.624 RESID 169 (L): CB 39.200 39.200 39.883 -0.683 RESID 171 (F): N 118.600 118.600 116.989 1.611 RESID 171 (F): C 173.600 173.600 176.106 -2.506 RESID 171 (F): CA 61.700 61.700 59.941 1.759 RESID 172 (F): N 116.300 116.300 116.050 0.250 RESID 172 (F): C 174.200 174.200 176.882 -2.682 RESID 172 (F): CA 59.500 59.500 60.461 -0.960 RESID 172 (F): CB 42.000 42.000 38.706 3.294 RESID 173 (L): N 120.400 120.400 118.174 2.226 RESID 173 (L): C 177.300 177.300 178.349 -1.049 RESID 173 (L): CA 54.730 54.730 57.687 -2.957 RESID 173 (L): CB 37.230 37.230 42.535 -5.305 RESID 174 (F): N 121.200 121.200 114.107 7.093 RESID 174 (F): C 177.000 177.000 174.052 2.948 RESID 174 (F): CA 59.000 59.000 57.382 1.618 RESID 174 (F): CB 43.220 43.220 42.228 0.992 RESID 175 (R): N 118.500 118.500 120.681 -2.181 RESID 175 (R): C 178.400 178.400 176.851 1.549 RESID 175 (R): CA 56.200 56.200 56.627 -0.427 RESID 176 (Q): N 122.100 122.100 119.182 2.918 RESID 176 (Q): C 178.000 178.000 173.276 4.724 RESID 176 (Q): CA 56.200 56.200 57.919 -1.719 RESID 177 (A): N 123.200 123.200 118.516 4.684 RESID 177 (A): C 176.900 176.900 175.553 1.347 RESID 177 (A): CA 54.300 54.300 51.969 2.331 RESID 177 (A): CB 16.870 16.870 21.511 -4.641 RESID 178 (Y): N 120.700 120.700 120.187 0.513 RESID 178 (Y): C 174.800 174.800 175.188 -0.388 RESID 178 (Y): CA 56.600 56.600 57.195 -0.595 RESID 178 (Y): CB 39.900 39.900 38.904 0.996 RESID 179 (H): N 119.600 119.600 117.980 1.620 RESID 179 (H): C 176.600 176.600 173.146 3.454 RESID 179 (H): CA 58.220 58.220 52.518 5.702 RESID 179 (H): CB 31.560 31.560 29.296 2.264 RESID 181 (N): N 119.200 119.200 116.496 2.704 RESID 181 (N): C 172.500 172.500 174.396 -1.896 RESID 181 (N): CA 56.150 56.150 52.346 3.804 RESID 181 (N): CB 36.500 36.500 41.478 -4.978 RESID 182 (N): N 114.100 114.100 121.358 -7.258 RESID 182 (N): C 175.800 175.800 173.743 2.057 RESID 182 (N): CA 55.500 55.500 54.821 0.679 RESID 183 (S): N 117.200 117.200 114.951 2.249 RESID 183 (S): C 175.600 175.600 173.099 2.501 RESID 183 (S): CA 55.400 55.400 57.447 -2.047 RESID 183 (S): CB 63.800 63.800 63.676 0.124 RESID 184 (S): N 117.000 117.000 115.655 1.345 RESID 184 (S): C 175.000 175.000 172.295 2.705 RESID 184 (S): CA 55.500 55.500 57.319 -1.819 RESID 184 (S): CB 63.800 63.800 65.721 -1.921 RESID 186 (V): N 119.500 119.500 121.022 -1.522 RESID 186 (V): C 175.300 175.300 174.924 0.376 RESID 186 (V): CA 65.290 65.290 61.653 3.637 RESID 186 (V): CB 30.120 30.120 32.433 -2.313 RESID 187 (C): N 116.500 116.500 125.597 -9.097 RESID 187 (C): C 176.300 176.300 173.916 2.384 RESID 187 (C): CA 56.000 56.000 58.443 -2.443 RESID 187 (C): CB 40.000 40.000 29.679 10.321 RESID 188 (Y): N 121.300 121.300 122.402 -1.102 RESID 188 (Y): C 176.500 176.500 174.093 2.407 RESID 188 (Y): CA 55.860 55.860 55.832 0.028 RESID 188 (Y): CB 40.240 40.240 39.950 0.290 RESID 189 (E): N 122.000 122.000 119.734 2.266 RESID 189 (E): C 175.500 175.500 176.014 -0.514 RESID 189 (E): CA 57.900 57.900 56.587 1.313 RESID 189 (E): CB 31.840 31.840 30.203 1.637 RESID 190 (V): N 123.500 123.500 119.652 3.848 RESID 190 (V): C 172.800 172.800 177.467 -4.667 RESID 190 (V): CA 65.670 65.670 63.246 2.424 RESID 190 (V): CB 29.200 29.200 32.682 -3.482 RESID 191 (L): N 129.900 129.900 128.043 1.857 RESID 191 (L): CA 55.500 55.500 56.090 -0.590 RESID 192 (G): N 107.500 107.500 102.792 4.708 RESID 192 (G): C 173.500 173.500 173.317 0.183 RESID 192 (G): CA 44.870 44.870 44.389 0.481 RESID 193 (N): N 116.600 116.600 117.105 -0.505 RESID 193 (N): CA 52.800 52.800 55.456 -2.656 RESID 193 (N): CB 39.560 39.560 38.750 0.810 RESID 194 (D): N 123.100 123.100 115.366 7.734 RESID 194 (D): C 172.800 172.800 176.591 -3.791 RESID 194 (D): CA 53.900 53.900 54.737 -0.837 RESID 194 (D): CB 39.700 39.700 40.009 -0.309 RESID 195 (T): N 118.800 118.800 112.354 6.446 RESID 195 (T): C 175.500 175.500 175.623 -0.123 RESID 195 (T): CA 63.000 63.000 64.758 -1.758 RESID 196 (A): N 123.300 123.300 124.006 -0.706 RESID 196 (A): C 173.000 173.000 178.556 -5.556 RESID 196 (A): CA 53.800 53.800 54.522 -0.722 RESID 196 (A): CB 17.240 17.240 18.870 -1.630 RESID 197 (K): N 121.700 121.700 114.419 7.281 RESID 197 (K): C 175.000 175.000 175.243 -0.243 RESID 197 (K): CA 56.900 56.900 54.175 2.725 RESID 197 (K): CB 29.900 29.900 33.079 -3.179 RESID 198 (W): N 120.700 120.700 117.874 2.826 RESID 198 (W): C 177.600 177.600 176.790 0.810 RESID 198 (W): CA 59.300 59.300 57.189 2.111 RESID 198 (W): CB 29.700 29.700 25.710 3.990 RESID 199 (R): N 123.500 123.500 118.689 4.811 RESID 199 (R): C 178.100 178.100 177.967 0.133 RESID 199 (R): CA 55.950 55.950 58.876 -2.926 RESID 199 (R): CB 31.060 31.060 29.385 1.675 RESID 200 (M): N 119.900 119.900 119.510 0.390 RESID 200 (M): C 175.400 175.400 178.042 -2.642 RESID 200 (M): CA 58.100 58.100 58.198 -0.098 RESID 200 (M): CB 31.100 31.100 31.664 -0.564 RESID 201 (V): N 123.700 123.700 117.510 6.190 RESID 201 (V): C 174.900 174.900 177.942 -3.042 RESID 201 (V): CA 65.700 65.700 64.802 0.897 RESID 201 (V): CB 29.180 29.180 30.597 -1.417 RESID 202 (L): N 124.000 124.000 121.178 2.822 RESID 202 (L): C 172.700 172.700 178.082 -5.382 RESID 202 (L): CA 54.800 54.800 58.666 -3.866 RESID 203 (R): N 124.000 124.000 118.804 5.196 RESID 203 (R): C 176.200 176.200 178.092 -1.892 RESID 203 (R): CA 55.800 55.800 58.717 -2.917 RESID 203 (R): CB 31.260 31.260 28.921 2.339 RESID 204 (I): N 120.500 120.500 119.083 1.417 RESID 204 (I): C 176.000 176.000 178.515 -2.515 RESID 204 (I): CA 64.700 64.700 63.918 0.782 RESID 204 (I): CB 36.400 36.400 38.027 -1.627 RESID 205 (L): N 123.400 123.400 121.455 1.945 RESID 205 (L): C 176.000 176.000 175.882 0.118 RESID 205 (L): CA 55.000 55.000 59.768 -4.768 RESID 206 (P): CA 62.500 62.500 65.998 -3.498 RESID 207 (H): N 113.500 113.500 117.889 -4.389 RESID 207 (H): C 175.200 175.200 176.947 -1.747 RESID 207 (H): CA 53.110 53.110 60.372 -7.262 RESID 207 (H): CB 30.000 30.000 30.057 -0.057 RESID 208 (T): N 122.100 122.100 116.505 5.595 RESID 208 (T): C 178.000 178.000 176.478 1.522 RESID 208 (T): CA 62.850 62.850 66.215 -3.365 RESID 209 (F): N 117.500 117.500 120.311 -2.811 RESID 209 (F): C 175.400 175.400 176.808 -1.408 RESID 209 (F): CA 59.850 59.850 59.858 -0.008 RESID 210 (G): N 111.700 111.700 106.956 4.744 RESID 210 (G): C 174.100 174.100 174.197 -0.097 RESID 210 (G): CA 45.000 45.000 45.738 -0.738 RESID 211 (F): N 120.900 120.900 119.204 1.696 RESID 211 (F): C 175.000 175.000 176.138 -1.138 RESID 211 (F): CA 55.950 55.950 59.069 -3.119 RESID 212 (I): N 120.100 120.100 120.186 -0.086 RESID 212 (I): C 175.900 175.900 177.415 -1.515 RESID 212 (I): CA 64.440 64.440 62.938 1.502 RESID 212 (I): CB 36.600 36.600 36.555 0.045 RESID 213 (V): N 123.400 123.400 119.784 3.616 RESID 213 (V): C 175.300 175.300 174.789 0.511 RESID 213 (V): CA 65.750 65.750 68.509 -2.759 RESID 213 (V): CB 29.680 29.680 28.554 1.126 RESID 215 (L): N 125.300 125.300 119.495 5.805 RESID 215 (L): C 177.200 177.200 178.524 -1.324 RESID 215 (L): CA 55.700 55.700 57.827 -2.127 RESID 215 (L): CB 40.150 40.150 41.781 -1.631 RESID 216 (F): N 123.800 123.800 118.355 5.445 RESID 216 (F): C 179.200 179.200 177.405 1.795 RESID 216 (F): CA 60.650 60.650 60.906 -0.256 RESID 216 (F): CB 37.000 37.000 38.590 -1.590 RESID 217 (V): N 118.500 118.500 120.251 -1.751 RESID 217 (V): C 175.400 175.400 177.657 -2.257 RESID 217 (V): CA 65.660 65.660 65.475 0.185 RESID 217 (V): CB 29.920 29.920 31.014 -1.094 RESID 218 (M): N 118.300 118.300 118.860 -0.560 RESID 218 (M): C 174.400 174.400 178.101 -3.701 RESID 218 (M): CA 55.000 55.000 59.219 -4.219 RESID 218 (M): CB 31.650 31.650 31.399 0.251 RESID 219 (L): N 120.500 120.500 117.180 3.320 RESID 219 (L): C 177.600 177.600 178.961 -1.361 RESID 219 (L): CA 55.800 55.800 56.985 -1.185 RESID 219 (L): CB 40.810 40.810 39.413 1.397 RESID 220 (F): N 124.700 124.700 121.400 3.300 RESID 220 (F): C 176.000 176.000 177.930 -1.930 RESID 220 (F): CA 61.170 61.170 62.594 -1.424 RESID 221 (C): N 117.800 117.800 117.980 -0.180 RESID 221 (C): C 176.000 176.000 177.146 -1.146 RESID 221 (C): CA 61.870 61.870 64.689 -2.820 RESID 222 (Y): N 122.000 122.000 121.369 0.631 RESID 222 (Y): C 178.400 178.400 178.714 -0.314 RESID 222 (Y): CA 57.500 57.500 59.428 -1.927 RESID 222 (Y): CB 37.150 37.150 37.058 0.092 RESID 223 (G): N 110.300 110.300 106.794 3.506 RESID 223 (G): C 174.500 174.500 175.892 -1.392 RESID 223 (G): CA 41.700 41.700 47.183 -5.483 RESID 224 (F): N 120.100 120.100 120.292 -0.192 RESID 224 (F): C 176.500 176.500 178.233 -1.733 RESID 224 (F): CA 62.300 62.300 60.868 1.432 RESID 224 (F): CB 36.900 36.900 39.052 -2.152 RESID 225 (T): N 118.500 118.500 115.003 3.497 RESID 225 (T): C 175.000 175.000 177.121 -2.121 RESID 225 (T): CA 64.650 64.650 66.306 -1.656 RESID 226 (L): N 122.900 122.900 122.367 0.533 RESID 226 (L): C 177.200 177.200 178.526 -1.326 RESID 226 (L): CA 55.900 55.900 56.672 -0.772 RESID 226 (L): CB 39.400 39.400 41.320 -1.920 RESID 227 (R): N 121.000 121.000 117.356 3.644 RESID 227 (R): C 177.200 177.200 177.849 -0.649 RESID 227 (R): CA 54.600 54.600 58.923 -4.323 RESID 227 (R): CB 28.500 28.500 30.312 -1.812 RESID 228 (T): N 119.600 119.600 111.951 7.649 RESID 228 (T): C 176.900 176.900 175.147 1.753 RESID 228 (T): CA 64.750 64.750 63.496 1.254 RESID 228 (T): CB 66.560 66.560 70.564 -4.004 RESID 229 (L): N 125.600 125.600 125.270 0.330 RESID 229 (L): C 177.800 177.800 176.429 1.371 RESID 229 (L): CA 55.700 55.700 53.330 2.370 RESID 229 (L): CB 40.260 40.260 41.105 -0.845 RESID 230 (F): N 121.900 121.900 125.418 -3.518 RESID 230 (F): C 176.900 176.900 175.975 0.925 RESID 230 (F): CA 58.770 58.770 61.130 -2.360 RESID 230 (F): CB 41.940 41.940 39.762 2.178 RESID 231 (K): N 121.600 121.600 118.760 2.840 RESID 231 (K): C 174.900 174.900 175.942 -1.042 RESID 231 (K): CA 56.000 56.000 56.014 -0.014 RESID 231 (K): CB 30.900 30.900 32.038 -1.138 RESID 232 (A): N 123.500 123.500 123.131 0.369 RESID 232 (A): C 176.900 176.900 176.434 0.466 RESID 232 (A): CA 54.000 54.000 52.625 1.375 RESID 232 (A): CB 21.830 21.830 19.284 2.546 RESID 233 (H): N 123.500 123.500 119.123 4.377 RESID 233 (H): C 176.100 176.100 173.360 2.740 RESID 233 (H): CA 55.700 55.700 55.470 0.230 RESID 233 (H): CB 29.060 29.060 30.395 -1.335 RESID 234 (M): N 120.000 120.000 120.979 -0.979 RESID 234 (M): C 176.700 176.700 176.209 0.491 RESID 234 (M): CA 58.000 58.000 54.689 3.311 RESID 234 (M): CB 31.810 31.810 33.987 -2.177 RESID 235 (G): N 109.600 109.600 113.356 -3.756 RESID 235 (G): C 173.300 173.300 173.995 -0.695 RESID 235 (G): CA 42.800 42.800 44.575 -1.775 RESID 236 (Q): N 116.800 116.800 122.439 -5.639 RESID 236 (Q): C 173.100 173.100 176.180 -3.080 RESID 236 (Q): CA 55.000 55.000 57.482 -2.482 RESID 236 (Q): CB 25.400 25.400 28.713 -3.313 RESID 237 (K): N 123.200 123.200 116.162 7.038 RESID 237 (K): C 178.100 178.100 176.619 1.481 RESID 237 (K): CA 56.000 56.000 57.980 -1.980 RESID 237 (K): CB 31.110 31.110 32.190 -1.080 RESID 238 (H): N 123.600 123.600 114.066 9.534 RESID 238 (H): C 177.000 177.000 177.548 -0.548 RESID 238 (H): CA 54.720 54.720 57.206 -2.486 RESID 238 (H): CB 30.000 30.000 31.761 -1.761 RESID 239 (R): N 122.100 122.100 124.084 -1.984 RESID 239 (R): C 176.600 176.600 177.908 -1.308 RESID 239 (R): CA 55.650 55.650 58.557 -2.907 RESID 239 (R): CB 31.100 31.100 28.793 2.307 RESID 240 (A): N 121.800 121.800 123.210 -1.410 RESID 240 (A): C 175.900 175.900 179.619 -3.719 RESID 240 (A): CA 52.800 52.800 55.141 -2.341 RESID 240 (A): CB 16.700 16.700 17.905 -1.205 RESID 241 (M): N 120.200 120.200 118.330 1.870 RESID 241 (M): C 175.600 175.600 177.926 -2.326 RESID 241 (M): CA 58.100 58.100 57.186 0.914 RESID 241 (M): CB 31.810 31.810 30.440 1.370 RESID 242 (R): N 121.200 121.200 120.506 0.694 RESID 242 (R): C 177.400 177.400 178.810 -1.410 RESID 242 (R): CA 56.000 56.000 58.643 -2.643 RESID 242 (R): CB 30.910 30.910 29.401 1.509 RESID 243 (V): N 119.700 119.700 120.369 -0.669 RESID 243 (V): C 175.600 175.600 178.342 -2.742 RESID 243 (V): CA 65.470 65.470 66.124 -0.654 RESID 243 (V): CB 29.400 29.400 31.152 -1.752 RESID 244 (I): N 120.900 120.900 121.165 -0.265 RESID 244 (I): C 175.500 175.500 177.844 -2.344 RESID 244 (I): CA 64.600 64.600 65.644 -1.044 RESID 244 (I): CB 36.800 36.800 37.850 -1.050 RESID 245 (F): N 117.200 117.200 120.598 -3.398 RESID 245 (F): C 175.100 175.100 176.565 -1.465 RESID 245 (F): CA 60.200 60.200 61.446 -1.246 RESID 245 (F): CB 39.770 39.770 38.578 1.192 RESID 246 (A): N 122.300 122.300 122.945 -0.645 RESID 246 (A): C 177.700 177.700 179.114 -1.414 RESID 246 (A): CA 53.200 53.200 55.365 -2.165 RESID 246 (A): CB 16.880 16.880 17.990 -1.110 RESID 247 (V): N 121.000 121.000 115.933 5.067 RESID 247 (V): C 175.000 175.000 177.909 -2.909 RESID 247 (V): CA 66.450 66.450 65.838 0.612 RESID 247 (V): CB 29.550 29.550 31.149 -1.599 RESID 248 (V): N 122.300 122.300 120.859 1.441 RESID 248 (V): C 177.200 177.200 177.986 -0.786 RESID 248 (V): CA 64.860 64.860 67.701 -2.841 RESID 248 (V): CB 30.140 30.140 31.234 -1.094 RESID 249 (L): N 119.300 119.300 120.432 -1.132 RESID 249 (L): C 176.400 176.400 179.204 -2.804 RESID 249 (L): CA 56.180 56.180 57.745 -1.565 RESID 249 (L): CB 40.650 40.650 40.386 0.264 RESID 250 (I): N 121.200 121.200 119.545 1.655 RESID 250 (I): C 176.900 176.900 178.066 -1.166 RESID 250 (I): CA 64.200 64.200 65.917 -1.717 RESID 250 (I): CB 36.700 36.700 37.742 -1.042 RESID 251 (F): N 125.100 125.100 118.320 6.780 RESID 251 (F): C 177.100 177.100 178.205 -1.105 RESID 251 (F): CA 59.800 59.800 62.524 -2.724 RESID 252 (L): N 118.800 118.800 118.094 0.706 RESID 252 (L): C 176.700 176.700 178.338 -1.638 RESID 252 (L): CA 56.000 56.000 57.769 -1.769 RESID 252 (L): CB 40.700 40.700 41.394 -0.694 RESID 253 (L): N 121.800 121.800 122.006 -0.206 RESID 253 (L): C 176.700 176.700 178.250 -1.550 RESID 253 (L): CA 56.220 56.220 58.016 -1.796 RESID 253 (L): CB 40.000 40.000 40.801 -0.801 RESID 254 (C): N 119.800 119.800 115.544 4.256 RESID 254 (C): C 176.800 176.800 176.833 -0.033 RESID 254 (C): CA 58.300 58.300 61.033 -2.733 RESID 254 (C): CB 28.040 28.040 29.078 -1.038 RESID 255 (W): N 121.300 121.300 122.339 -1.039 RESID 255 (W): C 178.400 178.400 176.782 1.618 RESID 255 (W): CA 56.940 56.940 58.539 -1.599 RESID 255 (W): CB 29.850 29.850 29.606 0.244 RESID 256 (L): N 124.900 124.900 123.831 1.069 RESID 256 (L): C 177.700 177.700 175.339 2.361 RESID 256 (L): CA 55.840 55.840 58.976 -3.136 RESID 256 (L): CB 40.000 40.000 38.610 1.390 RESID 258 (Y): N 124.900 124.900 120.177 4.723 RESID 258 (Y): C 179.000 179.000 177.315 1.685 RESID 258 (Y): CA 58.330 58.330 60.757 -2.427 RESID 258 (Y): CB 42.070 42.070 37.903 4.167 RESID 259 (N): N 123.000 123.000 118.539 4.461 RESID 259 (N): C 173.000 173.000 177.316 -4.316 RESID 259 (N): CA 53.900 53.900 56.798 -2.898 RESID 259 (N): CB 37.620 37.620 38.389 -0.769 RESID 260 (L): N 121.800 121.800 121.345 0.455 RESID 260 (L): C 175.300 175.300 178.602 -3.302 RESID 260 (L): CA 56.190 56.190 58.532 -2.342 RESID 260 (L): CB 39.060 39.060 41.895 -2.835 RESID 261 (V): N 118.600 118.600 118.962 -0.362 RESID 261 (V): C 175.000 175.000 178.405 -3.405 RESID 261 (V): CA 65.200 65.200 66.048 -0.848 RESID 261 (V): CB 29.620 29.620 31.273 -1.653 RESID 262 (L): N 121.800 121.800 121.927 -0.127 RESID 262 (L): C 176.600 176.600 178.652 -2.052 RESID 262 (L): CA 56.000 56.000 59.001 -3.001 RESID 262 (L): CB 40.070 40.070 41.694 -1.624 RESID 263 (L): N 123.500 123.500 117.850 5.650 RESID 263 (L): C 176.000 176.000 178.764 -2.764 RESID 263 (L): CA 55.600 55.600 58.393 -2.793 RESID 263 (L): CB 40.620 40.620 40.059 0.561 RESID 264 (A): N 122.200 122.200 121.854 0.346 RESID 264 (A): C 174.400 174.400 179.254 -4.854 RESID 264 (A): CA 53.300 53.300 55.378 -2.078 RESID 264 (A): CB 15.820 15.820 17.678 -1.858 RESID 265 (D): N 126.500 126.500 119.080 7.420 RESID 265 (D): C 171.600 171.600 179.340 -7.740 RESID 265 (D): CA 56.300 56.300 57.189 -0.889 RESID 266 (T): N 120.700 120.700 117.065 3.635 RESID 266 (T): C 175.300 175.300 175.994 -0.694 RESID 266 (T): CA 60.300 60.300 66.003 -5.703 RESID 267 (L): N 121.600 121.600 118.372 3.228 RESID 267 (L): C 176.100 176.100 177.843 -1.743 RESID 267 (L): CA 55.950 55.950 55.674 0.276 RESID 267 (L): CB 40.130 40.130 42.381 -2.251 RESID 268 (M): N 120.200 120.200 116.962 3.238 RESID 268 (M): C 176.800 176.800 175.733 1.067 RESID 268 (M): CA 58.200 58.200 54.890 3.310 RESID 268 (M): CB 31.900 31.900 31.936 -0.035 RESID 269 (R): N 116.700 116.700 119.957 -3.257 RESID 269 (R): C 175.500 175.500 177.225 -1.725 RESID 269 (R): CA 57.000 57.000 58.874 -1.874 RESID 269 (R): CB 29.700 29.700 29.039 0.661 RESID 270 (T): N 117.100 117.100 107.558 9.542 RESID 270 (T): C 175.700 175.700 174.526 1.174 RESID 270 (T): CA 64.000 64.000 64.815 -0.815 RESID 271 (Q): N 122.800 122.800 122.330 0.470 RESID 271 (Q): C 176.000 176.000 176.861 -0.861 RESID 271 (Q): CA 57.400 57.400 55.851 1.549 RESID 272 (V): N 121.300 121.300 122.323 -1.023 RESID 272 (V): C 176.000 176.000 174.968 1.032 RESID 272 (V): CA 63.670 63.670 63.707 -0.037 RESID 272 (V): CB 35.310 35.310 31.394 3.916 RESID 273 (I): N 123.300 123.300 124.406 -1.106 RESID 273 (I): C 178.300 178.300 175.943 2.357 RESID 273 (I): CA 64.000 64.000 60.726 3.274 RESID 273 (I): CB 36.000 36.000 39.638 -3.638 RESID 274 (Q): N 123.400 123.400 119.659 3.741 RESID 274 (Q): C 176.000 176.000 175.372 0.628 RESID 274 (Q): CA 56.950 56.950 57.203 -0.253 RESID 275 (E): N 123.600 123.600 114.132 9.468 RESID 275 (E): C 177.200 177.200 175.803 1.397 RESID 275 (E): CA 55.730 55.730 55.620 0.110 RESID 275 (E): CB 29.130 29.130 30.598 -1.468 RESID 276 (S): N 116.400 116.400 118.114 -1.714 RESID 276 (S): CA 61.300 61.300 61.445 -0.145 RESID 276 (S): CB 63.340 63.340 63.135 0.205 RESID 277 (C): N 117.200 117.200 119.513 -2.313 RESID 277 (C): C 175.600 175.600 176.938 -1.338 RESID 277 (C): CA 55.300 55.300 62.638 -7.338 RESID 277 (C): CB 25.240 25.240 26.396 -1.156 RESID 278 (E): N 120.900 120.900 120.615 0.285 RESID 278 (E): C 175.200 175.200 178.484 -3.284 RESID 278 (E): CA 58.200 58.200 59.819 -1.619 RESID 278 (E): CB 28.890 28.890 29.282 -0.392 RESID 279 (R): N 123.000 123.000 120.484 2.516 RESID 279 (R): C 176.600 176.600 178.836 -2.236 RESID 279 (R): CA 56.200 56.200 59.565 -3.365 RESID 279 (R): CB 29.500 29.500 30.026 -0.526 RESID 280 (R): N 124.000 124.000 116.298 7.702 RESID 280 (R): C 176.300 176.300 178.176 -1.876 RESID 280 (R): CA 55.870 55.870 59.739 -3.869 RESID 280 (R): CB 28.250 28.250 30.016 -1.766 RESID 281 (N): N 121.100 121.100 116.890 4.210 RESID 281 (N): C 174.600 174.600 177.329 -2.729 RESID 281 (N): CA 51.880 51.880 55.430 -3.550 RESID 281 (N): CB 37.700 37.700 38.681 -0.981 RESID 282 (N): N 121.600 121.600 119.585 2.015 RESID 282 (N): C 176.600 176.600 177.748 -1.148 RESID 282 (N): CA 55.800 55.800 56.255 -0.455 RESID 282 (N): CB 39.000 39.000 38.690 0.310 RESID 283 (I): N 120.800 120.800 120.529 0.271 RESID 283 (I): C 175.200 175.200 176.560 -1.360 RESID 283 (I): CA 64.500 64.500 63.472 1.028 RESID 283 (I): CB 36.600 36.600 37.571 -0.971 RESID 284 (G): N 110.500 110.500 105.801 4.699 RESID 284 (G): C 176.800 176.800 175.622 1.178 RESID 284 (G): CA 41.400 41.400 45.339 -3.938 RESID 286 (A): N 122.800 122.800 119.814 2.986 RESID 286 (A): C 178.500 178.500 178.186 0.314 RESID 286 (A): CA 53.840 53.840 53.768 0.072 RESID 286 (A): CB 16.630 16.630 18.284 -1.653 RESID 287 (L): N 125.500 125.500 116.302 9.198 RESID 287 (L): C 175.800 175.800 177.315 -1.515 RESID 287 (L): CA 56.150 56.150 57.387 -1.237 RESID 287 (L): CB 40.200 40.200 41.377 -1.177 RESID 288 (D): N 116.800 116.800 118.483 -1.683 RESID 288 (D): C 176.500 176.500 177.595 -1.095 RESID 288 (D): CA 56.250 56.250 56.430 -0.180 RESID 289 (A): N 124.600 124.600 122.234 2.366 RESID 289 (A): C 177.500 177.500 179.034 -1.534 RESID 289 (A): CA 53.250 53.250 54.675 -1.425 RESID 289 (A): CB 16.900 16.900 17.969 -1.069 RESID 290 (T): N 114.900 114.900 113.737 1.163 RESID 290 (T): C 177.000 177.000 176.494 0.506 RESID 290 (T): CA 64.100 64.100 66.462 -2.362 RESID 291 (E): N 120.800 120.800 122.007 -1.207 RESID 291 (E): C 177.000 177.000 178.761 -1.761 RESID 291 (E): CA 57.500 57.500 59.594 -2.094 RESID 291 (E): CB 29.700 29.700 29.496 0.204 RESID 292 (I): N 121.300 121.300 117.021 4.279 RESID 292 (I): C 176.000 176.000 178.490 -2.490 RESID 292 (I): CA 64.300 64.300 64.565 -0.265 RESID 292 (I): CB 36.640 36.640 37.851 -1.211 RESID 293 (L): N 122.700 122.700 120.481 2.219 RESID 293 (L): C 175.100 175.100 178.834 -3.734 RESID 293 (L): CA 55.600 55.600 57.940 -2.340 RESID 293 (L): CB 39.440 39.440 40.553 -1.113 RESID 294 (G): N 108.500 108.500 107.764 0.736 RESID 294 (G): C 173.800 173.800 176.090 -2.290 RESID 294 (G): CA 45.030 45.030 47.129 -2.099 RESID 295 (F): N 121.600 121.600 122.343 -0.743 RESID 295 (F): C 177.500 177.500 176.589 0.911 RESID 295 (F): CA 58.500 58.500 59.032 -0.532 RESID 296 (L): N 120.900 120.900 119.434 1.466 RESID 296 (L): C 175.300 175.300 177.519 -2.219 RESID 296 (L): CA 55.900 55.900 56.152 -0.252 RESID 296 (L): CB 40.000 40.000 40.258 -0.258 RESID 297 (H): N 120.600 120.600 116.453 4.147 RESID 297 (H): C 176.600 176.600 175.537 1.063 RESID 297 (H): CA 57.700 57.700 57.658 0.042 RESID 297 (H): CB 30.130 30.130 29.068 1.062 RESID 298 (S): N 122.500 122.500 112.127 10.373 RESID 298 (S): C 177.700 177.700 173.756 3.944 RESID 298 (S): CA 62.580 62.580 57.466 5.114 RESID 298 (S): CB 64.530 64.530 63.310 1.220 RESID 299 (C): N 121.600 121.600 118.902 2.698 RESID 299 (C): C 177.300 177.300 175.638 1.662 RESID 299 (C): CA 59.200 59.200 59.392 -0.193 RESID 299 (C): CB 27.360 27.360 29.829 -2.469 RESID 300 (L): N 121.300 121.300 121.294 0.006 RESID 300 (L): C 179.000 179.000 177.823 1.177 RESID 300 (L): CA 54.960 54.960 57.852 -2.892 RESID 300 (L): CB 40.740 40.740 41.404 -0.663 RESID 301 (N): N 119.000 119.000 119.072 -0.072 RESID 301 (N): C 176.600 176.600 174.019 2.581 RESID 301 (N): CA 53.300 53.300 57.224 -3.924 RESID 301 (N): CB 36.760 36.760 36.264 0.496 RESID 302 (P): CA 58.860 58.860 65.615 -6.755 RESID 303 (I): N 120.900 120.900 118.866 2.034 RESID 303 (I): C 173.700 173.700 177.869 -4.169 RESID 303 (I): CA 66.500 66.500 65.140 1.360 RESID 303 (I): CB 36.650 36.650 38.013 -1.363 RESID 304 (I): N 120.400 120.400 120.088 0.312 RESID 304 (I): C 175.900 175.900 177.953 -2.053 RESID 304 (I): CA 65.800 65.800 65.142 0.658 RESID 304 (I): CB 36.330 36.330 37.861 -1.532 RESID 305 (Y): N 120.300 120.300 118.751 1.549 RESID 305 (Y): C 174.800 174.800 177.723 -2.923 RESID 305 (Y): CA 56.700 56.700 58.687 -1.987 RESID 305 (Y): CB 37.900 37.900 36.836 1.064 RESID 306 (A): N 123.300 123.300 121.271 2.029 RESID 306 (A): C 172.000 172.000 179.226 -7.226 RESID 306 (A): CA 54.350 54.350 54.408 -0.058 RESID 306 (A): CB 16.400 16.400 18.182 -1.782 RESID 307 (F): N 120.400 120.400 117.422 2.978 RESID 307 (F): C 175.900 175.900 177.622 -1.722 RESID 307 (F): CA 60.250 60.250 61.200 -0.951 RESID 307 (F): CB 40.200 40.200 38.740 1.460 RESID 308 (I): N 120.700 120.700 116.067 4.633 RESID 308 (I): C 177.200 177.200 177.739 -0.539 RESID 308 (I): CA 64.550 64.550 62.816 1.734 RESID 308 (I): CB 36.600 36.600 37.805 -1.205 RESID 309 (G): N 111.300 111.300 108.638 2.662 RESID 309 (G): C 174.000 174.000 173.120 0.880 RESID 309 (G): CA 41.600 41.600 45.435 -3.835 RESID 310 (Q): N 119.400 119.400 117.576 1.824 RESID 310 (Q): C 176.200 176.200 177.063 -0.863 RESID 310 (Q): CA 57.800 57.800 56.753 1.047 RESID 310 (Q): CB 31.900 31.900 29.986 1.914 RESID 311 (N): N 120.100 120.100 117.713 2.387 RESID 311 (N): C 175.600 175.600 176.648 -1.048 RESID 311 (N): CA 55.500 55.500 55.038 0.462 RESID 311 (N): CB 38.800 38.800 38.170 0.630 RESID 312 (F): N 120.700 120.700 118.847 1.853 RESID 312 (F): C 175.400 175.400 177.424 -2.024 RESID 312 (F): CA 58.300 58.300 61.094 -2.794 RESID 312 (F): CB 36.800 36.800 38.752 -1.952 RESID 313 (R): N 123.000 123.000 119.616 3.384 RESID 313 (R): C 174.500 174.500 178.495 -3.995 RESID 313 (R): CA 56.000 56.000 59.415 -3.415 RESID 313 (R): CB 29.300 29.300 29.797 -0.497 RESID 314 (H): N 122.100 122.100 115.704 6.396 RESID 314 (H): C 176.300 176.300 177.290 -0.990 RESID 314 (H): CA 58.600 58.600 56.451 2.149 RESID 314 (H): CB 29.900 29.900 29.582 0.317 RESID 315 (G): N 109.700 109.700 108.940 0.760 RESID 315 (G): C 174.100 174.100 175.522 -1.422 RESID 315 (G): CA 47.200 47.200 46.785 0.415 RESID 316 (F): N 123.600 123.600 120.488 3.112 RESID 316 (F): C 176.200 176.200 177.502 -1.302 RESID 316 (F): CA 58.200 58.200 60.931 -2.732 RESID 317 (L): N 122.000 122.000 120.380 1.620 RESID 317 (L): C 176.600 176.600 178.470 -1.870 RESID 317 (L): CA 55.700 55.700 57.420 -1.720 RESID 317 (L): CB 40.200 40.200 41.988 -1.788 RESID 318 (K): N 121.800 121.800 119.627 2.173 RESID 318 (K): C 177.500 177.500 179.265 -1.765 RESID 318 (K): CA 56.200 56.200 59.359 -3.159 RESID 318 (K): CB 30.000 30.000 32.017 -2.017 RESID 319 (I): N 120.600 120.600 116.852 3.748 RESID 319 (I): C 176.000 176.000 178.032 -2.032 RESID 319 (I): CA 65.200 65.200 63.605 1.595 RESID 319 (I): CB 36.400 36.400 37.283 -0.883 RESID 320 (L): N 121.900 121.900 121.351 0.549 RESID 320 (L): C 176.800 176.800 178.433 -1.633 RESID 320 (L): CA 56.200 56.200 58.329 -2.129 RESID 320 (L): CB 40.000 40.000 41.837 -1.837 RESID 321 (A): N 123.000 123.000 121.303 1.697 RESID 321 (A): C 177.100 177.100 179.359 -2.259 RESID 321 (A): CA 55.000 55.000 54.687 0.313 RESID 321 (A): CB 18.000 18.000 18.739 -0.740 RESID 322 (M): N 120.400 120.400 115.317 5.083 RESID 322 (M): C 173.300 173.300 177.353 -4.053 RESID 322 (M): CA 56.100 56.100 55.373 0.727 RESID 323 (H): N 120.700 120.700 117.603 3.097 RESID 323 (H): C 173.200 173.200 175.718 -2.518 RESID 323 (H): CA 57.000 57.000 58.493 -1.493 RESID 323 (H): CB 29.700 29.700 28.696 1.004 N HA C CA CB H RESID 31 (M): -0.558 ----- -2.155 1.348 1.271 ----- RESID 32 (L): 5.547 ----- -4.719 -3.090 -2.397 ----- RESID 33 (E): 11.935 ----- -3.580 -1.059 0.829 ----- RESID 34 (T): -2.697 ----- -2.189 1.325 -2.074 ----- RESID 35 (E): -0.946 ----- -8.190 -3.977 -1.216 ----- RESID 36 (T): -5.095 ----- -0.753 0.776 ----- ----- RESID 37 (L): 3.448 ----- 0.866 1.538 0.428 ----- RESID 38 (N): 0.412 ----- 0.556 -0.029 2.218 ----- RESID 39 (K): 0.781 ----- -4.375 -2.547 -1.842 ----- RESID 40 (Y): 1.719 ----- -0.860 -1.862 2.381 ----- RESID 41 (V): 1.331 ----- -1.440 -0.593 -1.472 ----- RESID 42 (V): 1.820 ----- -1.676 -1.189 -1.788 ----- RESID 43 (I): 0.176 ----- -0.232 0.202 -0.955 ----- RESID 44 (I): -0.523 ----- -1.603 -5.305 -0.145 ----- RESID 45 (A): -0.401 ----- -3.996 -2.521 -1.028 ----- RESID 46 (Y): 0.081 ----- -2.008 -3.165 1.350 ----- RESID 47 (A): 1.924 ----- -4.799 -1.700 -2.608 ----- RESID 48 (L): -1.433 ----- -1.565 -1.089 ----- ----- RESID 49 (V): -2.155 ----- 3.165 1.602 -1.460 ----- RESID 50 (F): 4.584 ----- -5.125 1.653 4.022 ----- RESID 51 (L): 4.103 ----- -1.204 -2.348 -1.214 ----- RESID 52 (L): 4.286 ----- -4.884 -2.251 -2.143 ----- RESID 53 (S): 4.648 ----- -4.037 -2.770 ----- ----- RESID 54 (L): -1.605 ----- -1.088 -1.657 -1.562 ----- RESID 55 (L): 9.486 ----- -2.108 -1.583 -0.690 ----- RESID 56 (G): 1.776 ----- -1.101 0.323 ----- ----- RESID 57 (N): -2.387 ----- -1.022 -1.472 0.685 ----- RESID 58 (S): -4.437 ----- 4.249 -1.897 0.843 ----- RESID 59 (L): -1.385 ----- -1.006 -1.259 -0.047 ----- RESID 60 (V): 0.052 ----- -3.641 -1.064 -1.487 ----- RESID 61 (M): -1.453 ----- -1.741 -2.863 ----- ----- RESID 62 (L): 4.291 ----- -1.204 -1.845 -1.500 ----- RESID 63 (V): 1.026 ----- ----- -2.025 -2.545 ----- RESID 64 (I): 2.827 ----- -3.961 0.591 0.100 ----- RESID 65 (L): -3.303 ----- -4.188 -1.531 -2.555 ----- RESID 66 (Y): 5.862 ----- 1.137 -0.372 1.520 ----- RESID 67 (S): 0.654 ----- -0.161 3.280 -1.415 ----- RESID 68 (R): -6.921 ----- -2.304 1.553 ----- ----- RESID 69 (V): 2.921 ----- -1.501 3.587 -1.615 ----- RESID 70 (G): 1.244 ----- 1.255 -3.219 ----- ----- RESID 71 (R): 3.879 ----- 1.112 2.316 1.184 ----- RESID 72 (S): 1.917 ----- -1.889 1.686 ----- ----- RESID 73 (V): 1.561 ----- -0.965 1.220 -1.915 ----- RESID 74 (T): 5.839 ----- 0.473 -0.465 ----- ----- RESID 75 (D): -0.608 ----- -1.425 -1.169 0.117 ----- RESID 76 (V): 0.443 ----- -1.929 1.203 -0.785 ----- RESID 77 (Y): 4.462 ----- -2.172 -1.448 -0.894 ----- RESID 78 (L): 2.938 ----- -2.225 -1.993 0.043 ----- RESID 79 (L): 5.046 ----- -2.173 -2.161 -0.652 ----- RESID 80 (N): 2.912 ----- 0.217 0.135 0.116 ----- RESID 81 (L): 2.372 ----- -2.367 -1.847 -2.710 ----- RESID 82 (A): 2.894 ----- -2.176 -1.865 0.097 ----- RESID 83 (L): 1.230 ----- -2.125 -1.814 -1.000 ----- RESID 84 (A): 2.606 ----- -1.826 -0.725 -1.123 ----- RESID 85 (D): 0.864 ----- 0.625 -0.433 -1.212 ----- RESID 86 (L): 1.402 ----- -5.844 -1.668 -1.861 ----- RESID 87 (L): 1.334 ----- -3.404 -2.470 -1.827 ----- RESID 88 (F): 1.085 ----- -4.209 -3.821 3.385 ----- RESID 89 (A): 5.065 ----- -7.383 -1.812 -1.225 ----- RESID 90 (L): 2.309 ----- -5.455 -1.372 -2.385 ----- RESID 91 (T): 1.878 ----- 0.831 -4.735 0.350 ----- RESID 92 (L): -0.362 ----- 0.316 -5.196 0.506 ----- RESID 94 (I): 5.499 ----- -1.103 0.024 -0.841 ----- RESID 95 (W): -2.433 ----- -0.937 -2.019 -0.125 ----- RESID 96 (A): 5.748 ----- -0.612 -1.680 2.841 ----- RESID 97 (A): 3.420 ----- -1.755 -1.451 -1.329 ----- RESID 98 (S): -2.940 ----- ----- 2.504 ----- ----- RESID 99 (K): 0.154 ----- -1.355 -1.058 -2.418 ----- RESID 100 (V): 0.232 ----- -1.176 -1.209 -1.968 ----- RESID 101 (N): -1.057 ----- -2.496 -2.310 0.672 ----- RESID 102 (G): 3.080 ----- 1.567 1.645 ----- ----- RESID 103 (W): -0.390 ----- -0.585 1.819 -0.555 ----- RESID 104 (I): 9.846 ----- 1.455 0.530 -4.582 ----- RESID 105 (F): 2.012 ----- 2.350 -2.181 -0.361 ----- RESID 106 (G): -4.345 ----- 1.092 -2.574 ----- ----- RESID 107 (T): -0.549 ----- -0.818 -1.179 0.087 ----- RESID 108 (F): 1.487 ----- -3.712 -1.431 -1.537 ----- RESID 109 (L): 3.854 ----- -2.399 -2.547 0.397 ----- RESID 110 (C): 0.256 ----- -0.362 -6.317 13.885 ----- RESID 111 (K): 0.552 ----- -0.412 -1.543 -1.902 ----- RESID 112 (V): 6.429 ----- -3.347 4.007 ----- ----- RESID 113 (V): 6.742 ----- -8.285 1.275 ----- ----- RESID 114 (S): 2.837 ----- -1.139 -0.964 -0.564 ----- RESID 115 (L): -4.014 ----- -4.580 -2.387 -0.732 ----- RESID 116 (L): 9.404 ----- -0.939 -1.953 -0.939 ----- RESID 117 (K): 0.750 ----- -5.145 -2.211 -1.806 ----- RESID 118 (E): -0.216 ----- -1.600 -4.048 -1.625 ----- RESID 119 (V): 6.167 ----- -3.781 -1.176 -2.201 ----- RESID 120 (N): 2.021 ----- -3.101 -0.349 0.559 ----- RESID 121 (F): 4.417 ----- -2.582 1.135 -1.467 ----- RESID 122 (Y): 2.022 ----- -2.134 0.038 -1.025 ----- RESID 123 (S): 8.132 ----- -2.560 -4.585 -2.779 ----- RESID 124 (G): -2.411 ----- -5.107 -4.729 ----- ----- RESID 125 (I): -3.405 ----- -2.843 -0.838 -1.016 ----- RESID 126 (L): 1.994 ----- -5.534 -1.133 ----- ----- RESID 127 (L): 4.766 ----- -2.420 -3.382 -0.189 ----- RESID 128 (L): 1.882 ----- -2.410 -0.827 -1.319 ----- RESID 129 (A): 2.740 ----- -3.731 -2.058 -0.760 ----- RESID 130 (C): 3.157 ----- 0.071 -2.510 2.508 ----- RESID 131 (I): -1.099 ----- -4.199 -1.057 -1.637 ----- RESID 132 (S): 1.359 ----- -1.613 1.767 3.409 ----- RESID 133 (V): 6.365 ----- 0.124 1.055 ----- ----- RESID 134 (D): 4.517 ----- -4.554 0.264 -0.197 ----- RESID 135 (R): 4.126 ----- -4.474 -0.875 0.669 ----- RESID 136 (Y): 1.237 ----- -1.743 -0.626 -0.672 ----- RESID 137 (L): 3.853 ----- -4.207 -1.667 -0.628 ----- RESID 138 (A): 4.988 ----- -2.277 -1.554 -2.536 ----- RESID 139 (I): 2.859 ----- -0.098 -1.591 -9.235 ----- RESID 140 (V): -1.024 ----- -0.873 0.854 -1.700 ----- RESID 141 (H): -6.156 ----- 4.273 2.806 0.536 ----- RESID 142 (A): -3.109 ----- -2.136 1.110 -1.953 ----- RESID 143 (T): 0.590 ----- 2.352 -2.184 -4.731 ----- RESID 144 (R): ----- ----- ----- -0.673 -0.433 ----- RESID 145 (T): 9.620 ----- 3.323 -0.836 -4.744 ----- RESID 146 (L): 5.656 ----- -2.568 1.377 -1.404 ----- RESID 147 (T): 10.974 ----- 3.471 0.559 -7.197 ----- RESID 148 (Q): 1.630 ----- -0.588 -2.904 -0.705 ----- RESID 149 (K): -1.618 ----- -2.422 0.333 ----- ----- RESID 150 (R): 2.384 ----- -0.571 -2.369 2.014 ----- RESID 151 (H): 0.396 ----- 1.176 0.298 0.244 ----- RESID 152 (L): 0.289 ----- -0.812 -1.539 -1.746 ----- RESID 153 (V): 3.211 ----- -3.481 -5.498 ----- ----- RESID 154 (K): -4.545 ----- -2.948 0.224 ----- ----- RESID 155 (F): 3.816 ----- -1.543 1.803 ----- ----- RESID 156 (V): 3.117 ----- -0.049 -5.358 1.926 ----- RESID 157 (C): ----- ----- ----- -6.023 ----- ----- RESID 158 (L): 2.311 ----- -3.343 -2.334 ----- ----- RESID 159 (G): -1.147 ----- 0.230 -2.318 ----- ----- RESID 160 (C): -4.308 ----- 4.383 -3.604 1.724 ----- RESID 161 (W): -2.875 ----- -3.907 -4.328 ----- ----- RESID 162 (G): 2.184 ----- -2.374 -2.026 ----- ----- RESID 163 (L): -2.222 ----- -4.893 -1.859 -1.548 ----- RESID 164 (S): 1.620 ----- -1.872 -5.729 2.936 ----- RESID 165 (M): -1.177 ----- -1.801 -1.773 -2.782 ----- RESID 166 (N): 2.253 ----- -0.748 0.120 0.609 ----- RESID 167 (L): 2.152 ----- -1.003 8.223 -6.115 ----- RESID 168 (S): 5.317 ----- -2.221 -3.810 -5.704 ----- RESID 169 (L): -1.085 ----- 2.158 -3.624 -0.683 ----- RESID 171 (F): 1.611 ----- -2.506 1.759 ----- ----- RESID 172 (F): 0.250 ----- -2.682 -0.960 3.294 ----- RESID 173 (L): 2.226 ----- -1.049 -2.957 -5.305 ----- RESID 174 (F): 7.093 ----- 2.948 1.618 0.992 ----- RESID 175 (R): -2.181 ----- 1.549 -0.427 ----- ----- RESID 176 (Q): 2.918 ----- 4.724 -1.719 ----- ----- RESID 177 (A): 4.684 ----- 1.347 2.331 -4.641 ----- RESID 178 (Y): 0.513 ----- -0.388 -0.595 0.996 ----- RESID 179 (H): 1.620 ----- 3.454 5.702 2.264 ----- RESID 181 (N): 2.704 ----- -1.896 3.804 -4.978 ----- RESID 182 (N): -7.258 ----- 2.057 0.679 ----- ----- RESID 183 (S): 2.249 ----- 2.501 -2.047 0.124 ----- RESID 184 (S): 1.345 ----- 2.705 -1.819 -1.921 ----- RESID 186 (V): -1.522 ----- 0.376 3.637 -2.313 ----- RESID 187 (C): -9.097 ----- 2.384 -2.443 10.321 ----- RESID 188 (Y): -1.102 ----- 2.407 0.028 0.290 ----- RESID 189 (E): 2.266 ----- -0.514 1.313 1.637 ----- RESID 190 (V): 3.848 ----- -4.667 2.424 -3.482 ----- RESID 191 (L): 1.857 ----- ----- -0.590 ----- ----- RESID 192 (G): 4.708 ----- 0.183 0.481 ----- ----- RESID 193 (N): -0.505 ----- ----- -2.656 0.810 ----- RESID 194 (D): 7.734 ----- -3.791 -0.837 -0.309 ----- RESID 195 (T): 6.446 ----- -0.123 -1.758 ----- ----- RESID 196 (A): -0.706 ----- -5.556 -0.722 -1.630 ----- RESID 197 (K): 7.281 ----- -0.243 2.725 -3.179 ----- RESID 198 (W): 2.826 ----- 0.810 2.111 3.990 ----- RESID 199 (R): 4.811 ----- 0.133 -2.926 1.675 ----- RESID 200 (M): 0.390 ----- -2.642 -0.098 -0.564 ----- RESID 201 (V): 6.190 ----- -3.042 0.897 -1.417 ----- RESID 202 (L): 2.822 ----- -5.382 -3.866 ----- ----- RESID 203 (R): 5.196 ----- -1.892 -2.917 2.339 ----- RESID 204 (I): 1.417 ----- -2.515 0.782 -1.627 ----- RESID 205 (L): 1.945 ----- 0.118 -4.768 ----- ----- RESID 206 (P): ----- ----- ----- -3.498 ----- ----- RESID 207 (H): -4.389 ----- -1.747 -7.262 -0.057 ----- RESID 208 (T): 5.595 ----- 1.522 -3.365 ----- ----- RESID 209 (F): -2.811 ----- -1.408 -0.008 ----- ----- RESID 210 (G): 4.744 ----- -0.097 -0.738 ----- ----- RESID 211 (F): 1.696 ----- -1.138 -3.119 ----- ----- RESID 212 (I): -0.086 ----- -1.515 1.502 0.045 ----- RESID 213 (V): 3.616 ----- 0.511 -2.759 1.126 ----- RESID 215 (L): 5.805 ----- -1.324 -2.127 -1.631 ----- RESID 216 (F): 5.445 ----- 1.795 -0.256 -1.590 ----- RESID 217 (V): -1.751 ----- -2.257 0.185 -1.094 ----- RESID 218 (M): -0.560 ----- -3.701 -4.219 0.251 ----- RESID 219 (L): 3.320 ----- -1.361 -1.185 1.397 ----- RESID 220 (F): 3.300 ----- -1.930 -1.424 ----- ----- RESID 221 (C): -0.180 ----- -1.146 -2.820 ----- ----- RESID 222 (Y): 0.631 ----- -0.314 -1.927 0.092 ----- RESID 223 (G): 3.506 ----- -1.392 -5.483 ----- ----- RESID 224 (F): -0.192 ----- -1.733 1.432 -2.152 ----- RESID 225 (T): 3.497 ----- -2.121 -1.656 ----- ----- RESID 226 (L): 0.533 ----- -1.326 -0.772 -1.920 ----- RESID 227 (R): 3.644 ----- -0.649 -4.323 -1.812 ----- RESID 228 (T): 7.649 ----- 1.753 1.254 -4.004 ----- RESID 229 (L): 0.330 ----- 1.371 2.370 -0.845 ----- RESID 230 (F): -3.518 ----- 0.925 -2.360 2.178 ----- RESID 231 (K): 2.840 ----- -1.042 -0.014 -1.138 ----- RESID 232 (A): 0.369 ----- 0.466 1.375 2.546 ----- RESID 233 (H): 4.377 ----- 2.740 0.230 -1.335 ----- RESID 234 (M): -0.979 ----- 0.491 3.311 -2.177 ----- RESID 235 (G): -3.756 ----- -0.695 -1.775 ----- ----- RESID 236 (Q): -5.639 ----- -3.080 -2.482 -3.313 ----- RESID 237 (K): 7.038 ----- 1.481 -1.980 -1.080 ----- RESID 238 (H): 9.534 ----- -0.548 -2.486 -1.761 ----- RESID 239 (R): -1.984 ----- -1.308 -2.907 2.307 ----- RESID 240 (A): -1.410 ----- -3.719 -2.341 -1.205 ----- RESID 241 (M): 1.870 ----- -2.326 0.914 1.370 ----- RESID 242 (R): 0.694 ----- -1.410 -2.643 1.509 ----- RESID 243 (V): -0.669 ----- -2.742 -0.654 -1.752 ----- RESID 244 (I): -0.265 ----- -2.344 -1.044 -1.050 ----- RESID 245 (F): -3.398 ----- -1.465 -1.246 1.192 ----- RESID 246 (A): -0.645 ----- -1.414 -2.165 -1.110 ----- RESID 247 (V): 5.067 ----- -2.909 0.612 -1.599 ----- RESID 248 (V): 1.441 ----- -0.786 -2.841 -1.094 ----- RESID 249 (L): -1.132 ----- -2.804 -1.565 0.264 ----- RESID 250 (I): 1.655 ----- -1.166 -1.717 -1.042 ----- RESID 251 (F): 6.780 ----- -1.105 -2.724 ----- ----- RESID 252 (L): 0.706 ----- -1.638 -1.769 -0.694 ----- RESID 253 (L): -0.206 ----- -1.550 -1.796 -0.801 ----- RESID 254 (C): 4.256 ----- -0.033 -2.733 -1.038 ----- RESID 255 (W): -1.039 ----- 1.618 -1.599 0.244 ----- RESID 256 (L): 1.069 ----- 2.361 -3.136 1.390 ----- RESID 258 (Y): 4.723 ----- 1.685 -2.427 4.167 ----- RESID 259 (N): 4.461 ----- -4.316 -2.898 -0.769 ----- RESID 260 (L): 0.455 ----- -3.302 -2.342 -2.835 ----- RESID 261 (V): -0.362 ----- -3.405 -0.848 -1.653 ----- RESID 262 (L): -0.127 ----- -2.052 -3.001 -1.624 ----- RESID 263 (L): 5.650 ----- -2.764 -2.793 0.561 ----- RESID 264 (A): 0.346 ----- -4.854 -2.078 -1.858 ----- RESID 265 (D): 7.420 ----- -7.740 -0.889 ----- ----- RESID 266 (T): 3.635 ----- -0.694 -5.703 ----- ----- RESID 267 (L): 3.228 ----- -1.743 0.276 -2.251 ----- RESID 268 (M): 3.238 ----- 1.067 3.310 -0.035 ----- RESID 269 (R): -3.257 ----- -1.725 -1.874 0.661 ----- RESID 270 (T): 9.542 ----- 1.174 -0.815 ----- ----- RESID 271 (Q): 0.470 ----- -0.861 1.549 ----- ----- RESID 272 (V): -1.023 ----- 1.032 -0.037 3.916 ----- RESID 273 (I): -1.106 ----- 2.357 3.274 -3.638 ----- RESID 274 (Q): 3.741 ----- 0.628 -0.253 ----- ----- RESID 275 (E): 9.468 ----- 1.397 0.110 -1.468 ----- RESID 276 (S): -1.714 ----- ----- -0.145 0.205 ----- RESID 277 (C): -2.313 ----- -1.338 -7.338 -1.156 ----- RESID 278 (E): 0.285 ----- -3.284 -1.619 -0.392 ----- RESID 279 (R): 2.516 ----- -2.236 -3.365 -0.526 ----- RESID 280 (R): 7.702 ----- -1.876 -3.869 -1.766 ----- RESID 281 (N): 4.210 ----- -2.729 -3.550 -0.981 ----- RESID 282 (N): 2.015 ----- -1.148 -0.455 0.310 ----- RESID 283 (I): 0.271 ----- -1.360 1.028 -0.971 ----- RESID 284 (G): 4.699 ----- 1.178 -3.938 ----- ----- RESID 286 (A): 2.986 ----- 0.314 0.072 -1.653 ----- RESID 287 (L): 9.198 ----- -1.515 -1.237 -1.177 ----- RESID 288 (D): -1.683 ----- -1.095 -0.180 ----- ----- RESID 289 (A): 2.366 ----- -1.534 -1.425 -1.069 ----- RESID 290 (T): 1.163 ----- 0.506 -2.362 ----- ----- RESID 291 (E): -1.207 ----- -1.761 -2.094 0.204 ----- RESID 292 (I): 4.279 ----- -2.490 -0.265 -1.211 ----- RESID 293 (L): 2.219 ----- -3.734 -2.340 -1.113 ----- RESID 294 (G): 0.736 ----- -2.290 -2.099 ----- ----- RESID 295 (F): -0.743 ----- 0.911 -0.532 ----- ----- RESID 296 (L): 1.466 ----- -2.219 -0.252 -0.258 ----- RESID 297 (H): 4.147 ----- 1.063 0.042 1.062 ----- RESID 298 (S): 10.373 ----- 3.944 5.114 1.220 ----- RESID 299 (C): 2.698 ----- 1.662 -0.193 -2.469 ----- RESID 300 (L): 0.006 ----- 1.177 -2.892 -0.663 ----- RESID 301 (N): -0.072 ----- 2.581 -3.924 0.496 ----- RESID 302 (P): ----- ----- ----- -6.755 ----- ----- RESID 303 (I): 2.034 ----- -4.169 1.360 -1.363 ----- RESID 304 (I): 0.312 ----- -2.053 0.658 -1.532 ----- RESID 305 (Y): 1.549 ----- -2.923 -1.987 1.064 ----- RESID 306 (A): 2.029 ----- -7.226 -0.058 -1.782 ----- RESID 307 (F): 2.978 ----- -1.722 -0.951 1.460 ----- RESID 308 (I): 4.633 ----- -0.539 1.734 -1.205 ----- RESID 309 (G): 2.662 ----- 0.880 -3.835 ----- ----- RESID 310 (Q): 1.824 ----- -0.863 1.047 1.914 ----- RESID 311 (N): 2.387 ----- -1.048 0.462 0.630 ----- RESID 312 (F): 1.853 ----- -2.024 -2.794 -1.952 ----- RESID 313 (R): 3.384 ----- -3.995 -3.415 -0.497 ----- RESID 314 (H): 6.396 ----- -0.990 2.149 0.317 ----- RESID 315 (G): 0.760 ----- -1.422 0.415 ----- ----- RESID 316 (F): 3.112 ----- -1.302 -2.732 ----- ----- RESID 317 (L): 1.620 ----- -1.870 -1.720 -1.788 ----- RESID 318 (K): 2.173 ----- -1.765 -3.159 -2.017 ----- RESID 319 (I): 3.748 ----- -2.032 1.595 -0.883 ----- RESID 320 (L): 0.549 ----- -1.633 -2.129 -1.837 ----- RESID 321 (A): 1.697 ----- -2.259 0.313 -0.740 ----- RESID 322 (M): 5.083 ----- -4.053 0.727 ----- ----- RESID 323 (H): 3.097 ----- -2.518 -1.493 1.004 ----- DATA CS_STAT_INFO N RMS: 3.804 ppm Count: 283 Average Difference: -1.833 +/- 3.338 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 2.624 ppm Count: 278 Average Difference: 1.333 +/- 2.264 ppm DATA CS_STAT_INFO CA RMS: 2.476 ppm Count: 287 Average Difference: 1.115 +/- 2.215 ppm DATA CS_STAT_INFO CB RMS: 2.477 ppm Count: 226 Average Difference: 0.542 +/- 2.423 ppm DATA CS_STAT_INFO HN RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm ############################################################################ For conformer 10: Atom Original Corrected SPARTA Difference RESID 30 (C): N 122.700 122.700 122.014 0.686 RESID 30 (C): C 177.500 177.500 175.523 1.977 RESID 30 (C): CA 56.000 56.000 57.595 -1.595 RESID 30 (C): CB 40.300 40.300 26.652 13.648 RESID 31 (M): N 117.900 117.900 119.091 -1.191 RESID 31 (M): C 173.200 173.200 176.862 -3.662 RESID 31 (M): CA 58.150 58.150 53.977 4.173 RESID 31 (M): CB 31.100 31.100 31.033 0.067 RESID 32 (L): N 125.300 125.300 119.321 5.979 RESID 32 (L): C 173.500 173.500 177.679 -4.179 RESID 32 (L): CA 53.780 53.780 56.761 -2.981 RESID 32 (L): CB 39.660 39.660 42.373 -2.713 RESID 33 (E): N 129.900 129.900 119.274 10.626 RESID 33 (E): C 173.200 173.200 176.276 -3.076 RESID 33 (E): CA 55.900 55.900 57.369 -1.469 RESID 33 (E): CB 31.000 31.000 30.230 0.770 RESID 34 (T): N 113.900 113.900 111.286 2.614 RESID 34 (T): C 172.500 172.500 174.766 -2.266 RESID 34 (T): CA 63.500 63.500 60.342 3.158 RESID 34 (T): CB 67.200 67.200 70.472 -3.272 RESID 35 (E): N 125.300 125.300 121.747 3.553 RESID 35 (E): C 169.500 169.500 177.863 -8.363 RESID 35 (E): CA 55.840 55.840 58.548 -2.708 RESID 35 (E): CB 28.120 28.120 29.523 -1.403 RESID 36 (T): N 106.700 106.700 113.397 -6.697 RESID 36 (T): C 174.200 174.200 174.746 -0.546 RESID 36 (T): CA 65.000 65.000 63.670 1.329 RESID 37 (L): N 120.100 120.100 117.814 2.286 RESID 37 (L): C 177.500 177.500 176.846 0.654 RESID 37 (L): CA 56.400 56.400 55.288 1.111 RESID 37 (L): CB 39.800 39.800 38.827 0.973 RESID 38 (N): N 118.400 118.400 118.952 -0.552 RESID 38 (N): C 177.600 177.600 176.883 0.717 RESID 38 (N): CA 55.900 55.900 56.187 -0.287 RESID 38 (N): CB 40.870 40.870 38.512 2.358 RESID 39 (K): N 121.500 121.500 120.688 0.812 RESID 39 (K): C 174.300 174.300 178.857 -4.557 RESID 39 (K): CA 56.700 56.700 58.976 -2.276 RESID 39 (K): CB 29.900 29.900 32.091 -2.191 RESID 40 (Y): N 120.100 120.100 118.915 1.185 RESID 40 (Y): C 176.800 176.800 178.186 -1.386 RESID 40 (Y): CA 58.200 58.200 61.536 -3.336 RESID 40 (Y): CB 40.000 40.000 38.608 1.392 RESID 41 (V): N 120.700 120.700 116.852 3.848 RESID 41 (V): C 176.000 176.000 177.757 -1.757 RESID 41 (V): CA 65.000 65.000 66.503 -1.503 RESID 41 (V): CB 29.750 29.750 30.875 -1.125 RESID 42 (V): N 121.200 121.200 121.706 -0.506 RESID 42 (V): C 176.200 176.200 178.455 -2.255 RESID 42 (V): CA 65.560 65.560 66.388 -0.828 RESID 42 (V): CB 29.700 29.700 30.724 -1.024 RESID 43 (I): N 120.900 120.900 119.668 1.232 RESID 43 (I): C 177.000 177.000 178.403 -1.403 RESID 43 (I): CA 64.300 64.300 63.687 0.613 RESID 43 (I): CB 36.600 36.600 36.094 0.506 RESID 44 (I): N 120.500 120.500 121.422 -0.922 RESID 44 (I): C 175.000 175.000 177.854 -2.854 RESID 44 (I): CA 59.700 59.700 64.932 -5.232 RESID 44 (I): CB 37.000 37.000 36.915 0.085 RESID 45 (A): N 121.600 121.600 122.744 -1.144 RESID 45 (A): C 175.700 175.700 179.759 -4.059 RESID 45 (A): CA 52.700 52.700 55.481 -2.781 RESID 45 (A): CB 16.600 16.600 17.974 -1.374 RESID 46 (Y): N 120.400 120.400 120.042 0.358 RESID 46 (Y): C 175.400 175.400 177.653 -2.253 RESID 46 (Y): CA 58.530 58.530 61.337 -2.807 RESID 46 (Y): CB 39.850 39.850 38.094 1.756 RESID 47 (A): N 124.700 124.700 123.425 1.275 RESID 47 (A): C 174.800 174.800 179.735 -4.935 RESID 47 (A): CA 53.800 53.800 55.242 -1.442 RESID 47 (A): CB 15.530 15.530 18.229 -2.699 RESID 48 (L): N 117.700 117.700 119.612 -1.912 RESID 48 (L): C 177.400 177.400 178.926 -1.526 RESID 48 (L): CA 56.860 56.860 57.620 -0.760 RESID 49 (V): N 118.400 118.400 120.390 -1.990 RESID 49 (V): C 181.100 181.100 178.441 2.659 RESID 49 (V): CA 67.800 67.800 66.507 1.293 RESID 49 (V): CB 29.900 29.900 31.400 -1.500 RESID 50 (F): N 124.700 124.700 118.690 6.010 RESID 50 (F): C 171.900 171.900 177.929 -6.029 RESID 50 (F): CA 61.600 61.600 59.871 1.729 RESID 50 (F): CB 42.620 42.620 38.469 4.151 RESID 51 (L): N 125.600 125.600 122.209 3.391 RESID 51 (L): C 176.600 176.600 178.219 -1.619 RESID 51 (L): CA 55.850 55.850 58.250 -2.400 RESID 51 (L): CB 40.220 40.220 41.769 -1.549 RESID 52 (L): N 122.800 122.800 117.072 5.728 RESID 52 (L): C 173.700 173.700 178.746 -5.046 RESID 52 (L): CA 56.300 56.300 58.750 -2.450 RESID 52 (L): CB 39.200 39.200 40.791 -1.591 RESID 53 (S): N 118.700 118.700 115.011 3.689 RESID 53 (S): C 173.000 173.000 176.603 -3.603 RESID 53 (S): CA 58.200 58.200 61.183 -2.983 RESID 54 (L): N 123.500 123.500 123.535 -0.035 RESID 54 (L): C 176.800 176.800 178.089 -1.289 RESID 54 (L): CA 56.400 56.400 58.266 -1.866 RESID 54 (L): CB 40.000 40.000 42.004 -2.003 RESID 55 (L): N 124.600 124.600 116.969 7.631 RESID 55 (L): C 177.200 177.200 178.891 -1.691 RESID 55 (L): CA 56.000 56.000 57.726 -1.726 RESID 55 (L): CB 40.000 40.000 40.791 -0.791 RESID 56 (G): N 109.600 109.600 107.142 2.458 RESID 56 (G): C 174.800 174.800 175.654 -0.854 RESID 56 (G): CA 47.400 47.400 47.202 0.198 RESID 57 (N): N 118.200 118.200 119.020 -0.820 RESID 57 (N): C 176.900 176.900 177.367 -0.467 RESID 57 (N): CA 55.700 55.700 57.086 -1.386 RESID 57 (N): CB 39.300 39.300 38.453 0.847 RESID 58 (S): N 111.300 111.300 115.834 -4.534 RESID 58 (S): C 180.100 180.100 176.158 3.942 RESID 58 (S): CA 59.900 59.900 61.721 -1.821 RESID 58 (S): CB 63.300 63.300 63.036 0.264 RESID 59 (L): N 121.100 121.100 123.316 -2.216 RESID 59 (L): C 177.400 177.400 179.135 -1.735 RESID 59 (L): CA 56.150 56.150 57.766 -1.616 RESID 59 (L): CB 41.000 41.000 41.269 -0.269 RESID 60 (V): N 119.300 119.300 118.149 1.151 RESID 60 (V): C 175.200 175.200 178.424 -3.224 RESID 60 (V): CA 65.400 65.400 66.354 -0.954 RESID 60 (V): CB 29.500 29.500 31.332 -1.832 RESID 61 (M): N 118.900 118.900 118.892 0.008 RESID 61 (M): C 176.500 176.500 178.701 -2.201 RESID 61 (M): CA 55.840 55.840 57.832 -1.992 RESID 62 (L): N 122.100 122.100 117.749 4.351 RESID 62 (L): C 177.700 177.700 178.621 -0.921 RESID 62 (L): CA 56.160 56.160 58.042 -1.882 RESID 62 (L): CB 39.110 39.110 40.805 -1.695 RESID 63 (V): N 121.100 121.100 120.152 0.948 RESID 63 (V): CA 64.850 64.850 66.560 -1.710 RESID 63 (V): CB 29.600 29.600 31.470 -1.870 RESID 64 (I): N 121.000 121.000 116.886 4.114 RESID 64 (I): C 175.100 175.100 178.656 -3.556 RESID 64 (I): CA 64.400 64.400 64.528 -0.128 RESID 64 (I): CB 36.600 36.600 37.222 -0.622 RESID 65 (L): N 119.000 119.000 117.522 1.478 RESID 65 (L): C 173.800 173.800 178.563 -4.763 RESID 65 (L): CA 56.200 56.200 57.938 -1.738 RESID 65 (L): CB 39.300 39.300 41.538 -2.238 RESID 66 (Y): N 120.200 120.200 115.247 4.953 RESID 66 (Y): C 176.700 176.700 175.641 1.059 RESID 66 (Y): CA 58.340 58.340 57.192 1.148 RESID 66 (Y): CB 40.000 40.000 37.938 2.062 RESID 67 (S): N 116.700 116.700 115.912 0.788 RESID 67 (S): C 175.400 175.400 175.786 -0.386 RESID 67 (S): CA 60.000 60.000 56.724 3.276 RESID 67 (S): CB 62.000 62.000 63.322 -1.322 RESID 68 (R): N 121.500 121.500 128.829 -7.329 RESID 68 (R): C 175.300 175.300 177.160 -1.860 RESID 68 (R): CA 60.400 60.400 58.825 1.575 RESID 69 (V): N 120.600 120.600 117.738 2.862 RESID 69 (V): C 174.600 174.600 175.341 -0.741 RESID 69 (V): CA 65.800 65.800 62.153 3.647 RESID 69 (V): CB 29.850 29.850 30.807 -0.957 RESID 70 (G): N 110.700 110.700 107.274 3.426 RESID 70 (G): C 174.400 174.400 174.245 0.155 RESID 70 (G): CA 41.700 41.700 44.474 -2.774 RESID 71 (R): N 122.900 122.900 122.589 0.311 RESID 71 (R): C 176.500 176.500 175.313 1.187 RESID 71 (R): CA 56.800 56.800 54.692 2.108 RESID 71 (R): CB 29.900 29.900 29.062 0.838 RESID 72 (S): N 117.300 117.300 116.751 0.549 RESID 72 (S): C 174.300 174.300 175.623 -1.323 RESID 72 (S): CA 57.800 57.800 57.369 0.431 RESID 73 (V): N 120.400 120.400 116.284 4.116 RESID 73 (V): C 175.700 175.700 176.601 -0.901 RESID 73 (V): CA 66.100 66.100 64.187 1.913 RESID 73 (V): CB 29.650 29.650 30.671 -1.021 RESID 74 (T): N 117.300 117.300 114.551 2.749 RESID 74 (T): C 175.800 175.800 175.108 0.692 RESID 74 (T): CA 64.000 64.000 64.972 -0.971 RESID 75 (D): N 122.900 122.900 123.447 -0.547 RESID 75 (D): C 176.500 176.500 177.999 -1.499 RESID 75 (D): CA 56.000 56.000 57.428 -1.427 RESID 75 (D): CB 40.300 40.300 40.353 -0.053 RESID 76 (V): N 120.800 120.800 119.127 1.673 RESID 76 (V): C 175.600 175.600 177.061 -1.461 RESID 76 (V): CA 66.400 66.400 65.948 0.452 RESID 76 (V): CB 30.400 30.400 31.545 -1.145 RESID 77 (Y): N 123.800 123.800 120.107 3.693 RESID 77 (Y): C 175.700 175.700 177.668 -1.968 RESID 77 (Y): CA 60.560 60.560 62.070 -1.510 RESID 77 (Y): CB 37.000 37.000 38.352 -1.352 RESID 78 (L): N 121.000 121.000 120.447 0.553 RESID 78 (L): C 176.500 176.500 179.290 -2.790 RESID 78 (L): CA 55.900 55.900 58.039 -2.139 RESID 78 (L): CB 40.000 40.000 41.059 -1.059 RESID 79 (L): N 126.200 126.200 118.961 7.239 RESID 79 (L): C 176.000 176.000 179.102 -3.102 RESID 79 (L): CA 55.800 55.800 58.467 -2.667 RESID 79 (L): CB 40.240 40.240 41.483 -1.242 RESID 80 (N): N 121.300 121.300 118.097 3.203 RESID 80 (N): C 178.100 178.100 177.666 0.434 RESID 80 (N): CA 56.500 56.500 56.214 0.286 RESID 80 (N): CB 39.100 39.100 38.662 0.438 RESID 81 (L): N 124.100 124.100 121.646 2.454 RESID 81 (L): C 176.300 176.300 178.537 -2.237 RESID 81 (L): CA 56.000 56.000 57.601 -1.601 RESID 81 (L): CB 38.100 38.100 40.525 -2.425 RESID 82 (A): N 124.700 124.700 121.692 3.008 RESID 82 (A): C 177.500 177.500 179.803 -2.303 RESID 82 (A): CA 53.400 53.400 55.225 -1.825 RESID 82 (A): CB 18.300 18.300 18.397 -0.097 RESID 83 (L): N 121.400 121.400 118.600 2.800 RESID 83 (L): C 176.500 176.500 179.440 -2.940 RESID 83 (L): CA 55.900 55.900 57.583 -1.683 RESID 83 (L): CB 40.200 40.200 41.135 -0.935 RESID 84 (A): N 123.900 123.900 121.729 2.171 RESID 84 (A): C 176.600 176.600 179.790 -3.190 RESID 84 (A): CA 54.400 54.400 55.285 -0.885 RESID 84 (A): CB 16.600 16.600 17.965 -1.365 RESID 85 (D): N 120.300 120.300 120.052 0.248 RESID 85 (D): C 178.400 178.400 178.451 -0.051 RESID 85 (D): CA 56.330 56.330 56.520 -0.190 RESID 85 (D): CB 39.850 39.850 41.234 -1.384 RESID 86 (L): N 122.700 122.700 121.798 0.902 RESID 86 (L): C 173.600 173.600 178.529 -4.929 RESID 86 (L): CA 56.300 56.300 58.590 -2.290 RESID 86 (L): CB 39.500 39.500 42.058 -2.558 RESID 87 (L): N 122.000 122.000 119.637 2.363 RESID 87 (L): C 175.600 175.600 178.604 -3.004 RESID 87 (L): CA 56.150 56.150 58.387 -2.237 RESID 87 (L): CB 40.000 40.000 41.686 -1.686 RESID 88 (F): N 119.200 119.200 120.025 -0.825 RESID 88 (F): C 173.900 173.900 178.017 -4.117 RESID 88 (F): CA 55.900 55.900 60.522 -4.622 RESID 88 (F): CB 40.400 40.400 38.516 1.884 RESID 89 (A): N 126.600 126.600 122.797 3.803 RESID 89 (A): C 172.900 172.900 179.640 -6.740 RESID 89 (A): CA 53.100 53.100 54.699 -1.599 RESID 89 (A): CB 17.000 17.000 18.145 -1.145 RESID 90 (L): N 119.700 119.700 117.772 1.928 RESID 90 (L): C 172.500 172.500 177.909 -5.409 RESID 90 (L): CA 56.500 56.500 57.807 -1.307 RESID 90 (L): CB 39.900 39.900 42.091 -2.191 RESID 91 (T): N 115.300 115.300 108.175 7.125 RESID 91 (T): C 176.400 176.400 176.341 0.059 RESID 91 (T): CA 60.000 60.000 63.544 -3.544 RESID 91 (T): CB 69.500 69.500 69.489 0.011 RESID 92 (L): N 123.000 123.000 123.386 -0.386 RESID 92 (L): C 175.400 175.400 176.883 -1.483 RESID 92 (L): CA 55.600 55.600 59.340 -3.740 RESID 92 (L): CB 40.800 40.800 38.767 2.033 RESID 94 (I): N 121.000 121.000 116.711 4.289 RESID 94 (I): C 176.800 176.800 177.439 -0.639 RESID 94 (I): CA 64.300 64.300 64.918 -0.618 RESID 94 (I): CB 36.600 36.600 37.992 -1.392 RESID 95 (W): N 120.500 120.500 121.765 -1.265 RESID 95 (W): C 176.700 176.700 177.394 -0.694 RESID 95 (W): CA 58.100 58.100 60.989 -2.889 RESID 95 (W): CB 29.000 29.000 29.378 -0.378 RESID 96 (A): N 126.300 126.300 120.938 5.362 RESID 96 (A): C 178.300 178.300 178.853 -0.553 RESID 96 (A): CA 52.400 52.400 53.808 -1.408 RESID 96 (A): CB 20.400 20.400 17.654 2.745 RESID 97 (A): N 123.200 123.200 119.663 3.537 RESID 97 (A): C 178.000 178.000 179.386 -1.386 RESID 97 (A): CA 53.600 53.600 54.863 -1.263 RESID 97 (A): CB 16.700 16.700 17.893 -1.193 RESID 98 (S): N 109.400 109.400 111.234 -1.834 RESID 98 (S): CA 63.000 63.000 60.226 2.774 RESID 99 (K): N 121.500 121.500 119.448 2.052 RESID 99 (K): C 177.300 177.300 178.643 -1.343 RESID 99 (K): CA 56.100 56.100 57.668 -1.568 RESID 99 (K): CB 30.700 30.700 32.811 -2.111 RESID 100 (V): N 121.200 121.200 121.093 0.107 RESID 100 (V): C 176.300 176.300 177.359 -1.059 RESID 100 (V): CA 64.900 64.900 65.226 -0.326 RESID 100 (V): CB 29.850 29.850 31.692 -1.842 RESID 101 (N): N 116.700 116.700 117.354 -0.654 RESID 101 (N): C 173.800 173.800 175.877 -2.077 RESID 101 (N): CA 52.300 52.300 54.067 -1.767 RESID 101 (N): CB 39.700 39.700 37.783 1.917 RESID 102 (G): N 109.500 109.500 105.239 4.261 RESID 102 (G): C 174.600 174.600 173.534 1.066 RESID 102 (G): CA 45.900 45.900 44.642 1.258 RESID 103 (W): N 117.700 117.700 118.595 -0.895 RESID 103 (W): C 173.900 173.900 173.564 0.336 RESID 103 (W): CA 58.000 58.000 55.386 2.614 RESID 103 (W): CB 31.000 31.000 29.955 1.045 RESID 104 (I): N 124.300 124.300 118.258 6.042 RESID 104 (I): C 175.700 175.700 175.201 0.499 RESID 104 (I): CA 60.400 60.400 60.163 0.236 RESID 104 (I): CB 35.600 35.600 40.943 -5.343 RESID 105 (F): N 121.100 121.100 120.203 0.897 RESID 105 (F): C 177.200 177.200 175.190 2.010 RESID 105 (F): CA 55.700 55.700 57.284 -1.584 RESID 105 (F): CB 40.500 40.500 40.108 0.392 RESID 106 (G): N 110.000 110.000 112.752 -2.752 RESID 106 (G): C 174.500 174.500 173.568 0.932 RESID 106 (G): CA 41.900 41.900 44.605 -2.705 RESID 107 (T): N 114.700 114.700 115.757 -1.057 RESID 107 (T): C 173.500 173.500 175.095 -1.595 RESID 107 (T): CA 60.500 60.500 61.648 -1.148 RESID 107 (T): CB 69.700 69.700 69.358 0.342 RESID 108 (F): N 124.200 124.200 123.560 0.640 RESID 108 (F): C 173.500 173.500 176.832 -3.332 RESID 108 (F): CA 60.000 60.000 60.576 -0.576 RESID 108 (F): CB 37.030 37.030 38.066 -1.036 RESID 109 (L): N 123.200 123.200 121.431 1.769 RESID 109 (L): C 176.000 176.000 178.456 -2.456 RESID 109 (L): CA 55.500 55.500 58.336 -2.836 RESID 109 (L): CB 40.900 40.900 41.538 -0.638 RESID 110 (C): N 117.600 117.600 116.734 0.866 RESID 110 (C): C 176.700 176.700 177.704 -1.004 RESID 110 (C): CA 55.700 55.700 61.026 -5.326 RESID 110 (C): CB 39.400 39.400 26.146 13.254 RESID 111 (K): N 121.600 121.600 120.383 1.217 RESID 111 (K): C 176.400 176.400 176.895 -0.495 RESID 111 (K): CA 57.300 57.300 59.057 -1.757 RESID 111 (K): CB 30.000 30.000 32.554 -2.554 RESID 112 (V): N 123.600 123.600 117.313 6.287 RESID 112 (V): C 174.100 174.100 177.795 -3.695 RESID 112 (V): CA 68.000 68.000 64.005 3.995 RESID 113 (V): N 127.800 127.800 121.488 6.312 RESID 113 (V): C 169.600 169.600 178.294 -8.694 RESID 113 (V): CA 68.800 68.800 66.826 1.974 RESID 114 (S): N 117.500 117.500 115.531 1.969 RESID 114 (S): C 175.200 175.200 176.369 -1.169 RESID 114 (S): CA 60.200 60.200 61.704 -1.504 RESID 114 (S): CB 61.890 61.890 62.924 -1.034 RESID 115 (L): N 120.000 120.000 124.756 -4.756 RESID 115 (L): C 173.700 173.700 178.391 -4.691 RESID 115 (L): CA 55.900 55.900 57.989 -2.089 RESID 115 (L): CB 40.600 40.600 41.391 -0.791 RESID 116 (L): N 126.000 126.000 117.528 8.472 RESID 116 (L): C 177.800 177.800 179.115 -1.315 RESID 116 (L): CA 55.900 55.900 57.250 -1.350 RESID 116 (L): CB 40.250 40.250 41.398 -1.148 RESID 117 (K): N 120.900 120.900 120.757 0.143 RESID 117 (K): C 173.200 173.200 178.863 -5.663 RESID 117 (K): CA 57.000 57.000 59.491 -2.491 RESID 117 (K): CB 29.800 29.800 32.255 -2.455 RESID 118 (E): N 118.900 118.900 118.606 0.294 RESID 118 (E): C 177.100 177.100 178.898 -1.798 RESID 118 (E): CA 55.300 55.300 59.587 -4.287 RESID 118 (E): CB 28.000 28.000 29.359 -1.359 RESID 119 (V): N 123.400 123.400 114.728 8.672 RESID 119 (V): C 173.600 173.600 177.193 -3.593 RESID 119 (V): CA 65.330 65.330 65.701 -0.371 RESID 119 (V): CB 29.250 29.250 31.741 -2.491 RESID 120 (N): N 120.300 120.300 119.558 0.742 RESID 120 (N): C 174.500 174.500 177.951 -3.451 RESID 120 (N): CA 55.800 55.800 55.643 0.157 RESID 120 (N): CB 38.900 38.900 37.848 1.052 RESID 121 (F): N 123.600 123.600 122.787 0.813 RESID 121 (F): C 175.500 175.500 177.975 -2.475 RESID 121 (F): CA 60.500 60.500 63.049 -2.549 RESID 121 (F): CB 37.000 37.000 39.479 -2.479 RESID 122 (Y): N 120.500 120.500 116.832 3.668 RESID 122 (Y): C 176.100 176.100 177.979 -1.879 RESID 122 (Y): CA 60.900 60.900 60.881 0.019 RESID 122 (Y): CB 37.300 37.300 37.876 -0.576 RESID 123 (S): N 124.600 124.600 116.729 7.871 RESID 123 (S): C 173.900 173.900 176.726 -2.826 RESID 123 (S): CA 57.740 57.740 61.908 -4.168 RESID 123 (S): CB 59.870 59.870 62.626 -2.756 RESID 124 (G): N 107.700 107.700 108.843 -1.143 RESID 124 (G): C 171.000 171.000 175.806 -4.806 RESID 124 (G): CA 42.750 42.750 47.083 -4.332 RESID 125 (I): N 119.500 119.500 122.666 -3.166 RESID 125 (I): C 175.200 175.200 178.338 -3.138 RESID 125 (I): CA 62.950 62.950 64.353 -1.403 RESID 125 (I): CB 36.960 36.960 37.705 -0.745 RESID 126 (L): N 122.300 122.300 120.395 1.905 RESID 126 (L): C 173.600 173.600 178.667 -5.067 RESID 126 (L): CA 56.250 56.250 57.575 -1.325 RESID 127 (L): N 126.500 126.500 120.905 5.595 RESID 127 (L): C 176.100 176.100 178.336 -2.236 RESID 127 (L): CA 55.220 55.220 57.966 -2.746 RESID 127 (L): CB 41.670 41.670 41.060 0.610 RESID 128 (L): N 121.000 121.000 119.051 1.949 RESID 128 (L): C 175.600 175.600 177.742 -2.142 RESID 128 (L): CA 57.170 57.170 58.209 -1.039 RESID 128 (L): CB 40.300 40.300 41.453 -1.153 RESID 129 (A): N 125.800 125.800 122.473 3.327 RESID 129 (A): C 176.000 176.000 179.720 -3.720 RESID 129 (A): CA 52.970 52.970 55.051 -2.081 RESID 129 (A): CB 17.000 17.000 17.737 -0.737 RESID 130 (C): N 120.300 120.300 117.226 3.074 RESID 130 (C): C 177.000 177.000 177.225 -0.225 RESID 130 (C): CA 62.070 62.070 64.447 -2.377 RESID 130 (C): CB 29.880 29.880 27.301 2.579 RESID 131 (I): N 121.300 121.300 122.981 -1.681 RESID 131 (I): C 174.000 174.000 178.275 -4.275 RESID 131 (I): CA 63.080 63.080 65.047 -1.967 RESID 131 (I): CB 36.220 36.220 37.910 -1.690 RESID 132 (S): N 117.700 117.700 115.757 1.943 RESID 132 (S): C 175.100 175.100 177.307 -2.207 RESID 132 (S): CA 63.990 63.990 61.786 2.204 RESID 132 (S): CB 66.120 66.120 62.494 3.626 RESID 133 (V): N 129.800 129.800 123.511 6.289 RESID 133 (V): C 177.700 177.700 177.418 0.282 RESID 133 (V): CA 68.050 68.050 66.899 1.151 RESID 134 (D): N 124.000 124.000 118.867 5.133 RESID 134 (D): C 174.100 174.100 178.767 -4.667 RESID 134 (D): CA 57.500 57.500 56.948 0.552 RESID 134 (D): CB 40.400 40.400 40.623 -0.223 RESID 135 (R): N 124.200 124.200 119.601 4.599 RESID 135 (R): C 174.400 174.400 178.537 -4.137 RESID 135 (R): CA 58.420 58.420 58.495 -0.075 RESID 135 (R): CB 30.700 30.700 29.953 0.747 RESID 136 (Y): N 121.000 121.000 119.884 1.116 RESID 136 (Y): C 176.400 176.400 178.205 -1.805 RESID 136 (Y): CA 60.250 60.250 61.292 -1.042 RESID 136 (Y): CB 37.350 37.350 38.056 -0.706 RESID 137 (L): N 121.400 121.400 114.643 6.757 RESID 137 (L): C 173.700 173.700 178.932 -5.232 RESID 137 (L): CA 54.870 54.870 57.254 -2.384 RESID 137 (L): CB 41.670 41.670 41.506 0.164 RESID 138 (A): N 125.800 125.800 120.693 5.107 RESID 138 (A): C 176.100 176.100 178.383 -2.283 RESID 138 (A): CA 52.860 52.860 54.427 -1.567 RESID 138 (A): CB 17.270 17.270 18.902 -1.632 RESID 139 (I): N 120.000 120.000 117.613 2.387 RESID 139 (I): C 175.700 175.700 174.931 0.769 RESID 139 (I): CA 60.000 60.000 62.333 -2.333 RESID 139 (I): CB 30.290 30.290 39.586 -9.296 RESID 140 (V): N 118.700 118.700 114.569 4.131 RESID 140 (V): C 173.900 173.900 175.330 -1.430 RESID 140 (V): CA 61.920 61.920 60.489 1.431 RESID 140 (V): CB 30.900 30.900 33.471 -2.571 RESID 141 (H): N 117.200 117.200 121.676 -4.476 RESID 141 (H): C 177.900 177.900 174.344 3.556 RESID 141 (H): CA 58.860 58.860 55.586 3.274 RESID 141 (H): CB 30.090 30.090 29.832 0.258 RESID 142 (A): N 121.200 121.200 125.409 -4.209 RESID 142 (A): C 174.600 174.600 177.048 -2.448 RESID 142 (A): CA 53.170 53.170 52.673 0.497 RESID 142 (A): CB 16.580 16.580 17.754 -1.174 RESID 143 (T): N 118.000 118.000 115.261 2.739 RESID 143 (T): C 177.000 177.000 174.512 2.488 RESID 143 (T): CA 62.520 62.520 64.371 -1.851 RESID 143 (T): CB 64.330 64.330 68.060 -3.730 RESID 144 (R): CA 57.250 57.250 56.977 0.273 RESID 144 (R): CB 30.340 30.340 31.738 -1.398 RESID 145 (T): N 119.700 119.700 110.291 9.409 RESID 145 (T): C 177.000 177.000 174.069 2.931 RESID 145 (T): CA 62.370 62.370 62.609 -0.239 RESID 145 (T): CB 64.120 64.120 69.537 -5.417 RESID 146 (L): N 127.900 127.900 124.257 3.643 RESID 146 (L): C 173.200 173.200 175.301 -2.101 RESID 146 (L): CA 55.790 55.790 54.858 0.933 RESID 146 (L): CB 40.570 40.570 42.410 -1.840 RESID 147 (T): N 124.000 124.000 115.683 8.317 RESID 147 (T): C 177.700 177.700 173.968 3.732 RESID 147 (T): CA 62.050 62.050 61.231 0.819 RESID 147 (T): CB 63.770 63.770 70.571 -6.801 RESID 148 (Q): N 122.800 122.800 121.580 1.220 RESID 148 (Q): C 176.700 176.700 176.658 0.042 RESID 148 (Q): CA 53.470 53.470 56.335 -2.865 RESID 148 (Q): CB 29.310 29.310 29.106 0.204 RESID 149 (K): N 120.900 120.900 122.025 -1.125 RESID 149 (K): C 175.900 175.900 178.429 -2.529 RESID 149 (K): CA 59.440 59.440 58.767 0.673 RESID 150 (R): N 122.200 122.200 119.030 3.170 RESID 150 (R): C 177.500 177.500 178.454 -0.954 RESID 150 (R): CA 56.700 56.700 59.467 -2.767 RESID 150 (R): CB 31.150 31.150 29.381 1.769 RESID 151 (H): N 117.300 117.300 118.784 -1.484 RESID 151 (H): C 177.800 177.800 177.334 0.466 RESID 151 (H): CA 59.130 59.130 59.229 -0.099 RESID 151 (H): CB 29.400 29.400 29.225 0.175 RESID 152 (L): N 120.400 120.400 119.549 0.851 RESID 152 (L): C 176.800 176.800 178.599 -1.799 RESID 152 (L): CA 56.150 56.150 58.278 -2.127 RESID 152 (L): CB 39.810 39.810 41.265 -1.455 RESID 153 (V): N 121.500 121.500 118.349 3.151 RESID 153 (V): C 174.300 174.300 177.885 -3.585 RESID 153 (V): CA 61.240 61.240 65.365 -4.125 RESID 154 (K): N 117.000 117.000 121.419 -4.419 RESID 154 (K): C 175.300 175.300 178.229 -2.929 RESID 154 (K): CA 59.000 59.000 59.531 -0.531 RESID 155 (F): N 121.100 121.100 119.782 1.318 RESID 155 (F): C 176.600 176.600 176.926 -0.326 RESID 155 (F): CA 61.200 61.200 60.934 0.266 RESID 156 (V): N 123.800 123.800 120.257 3.543 RESID 156 (V): C 177.700 177.700 177.192 0.508 RESID 156 (V): CA 62.170 62.170 66.147 -3.977 RESID 156 (V): CB 33.400 33.400 30.932 2.468 RESID 157 (C): CA 58.260 58.260 63.233 -4.973 RESID 158 (L): N 122.900 122.900 121.511 1.389 RESID 158 (L): C 175.500 175.500 178.590 -3.090 RESID 158 (L): CA 55.750 55.750 58.472 -2.722 RESID 159 (G): N 104.900 104.900 105.245 -0.345 RESID 159 (G): C 176.200 176.200 176.518 -0.318 RESID 159 (G): CA 44.750 44.750 46.908 -2.158 RESID 160 (C): N 116.700 116.700 121.093 -4.393 RESID 160 (C): C 181.100 181.100 176.762 4.338 RESID 160 (C): CA 59.000 59.000 63.399 -4.399 RESID 160 (C): CB 29.130 29.130 26.908 2.222 RESID 161 (W): N 119.000 119.000 121.250 -2.250 RESID 161 (W): C 174.900 174.900 178.546 -3.646 RESID 161 (W): CA 55.880 55.880 61.730 -5.850 RESID 162 (G): N 108.300 108.300 106.386 1.914 RESID 162 (G): C 173.600 173.600 176.222 -2.622 RESID 162 (G): CA 45.100 45.100 47.130 -2.030 RESID 163 (L): N 120.200 120.200 122.373 -2.173 RESID 163 (L): C 173.500 173.500 178.487 -4.987 RESID 163 (L): CA 55.800 55.800 57.690 -1.890 RESID 163 (L): CB 39.850 39.850 41.244 -1.394 RESID 164 (S): N 117.200 117.200 115.147 2.053 RESID 164 (S): C 175.000 175.000 177.100 -2.100 RESID 164 (S): CA 55.600 55.600 61.422 -5.822 RESID 164 (S): CB 65.660 65.660 63.449 2.211 RESID 165 (M): N 121.200 121.200 120.700 0.500 RESID 165 (M): C 175.500 175.500 178.169 -2.669 RESID 165 (M): CA 57.600 57.600 57.650 -0.050 RESID 165 (M): CB 30.000 30.000 31.933 -1.933 RESID 166 (N): N 120.200 120.200 117.929 2.271 RESID 166 (N): C 176.500 176.500 176.878 -0.378 RESID 166 (N): CA 56.080 56.080 55.783 0.297 RESID 166 (N): CB 38.940 38.940 38.589 0.351 RESID 167 (L): N 120.800 120.800 118.115 2.685 RESID 167 (L): C 177.200 177.200 178.121 -0.921 RESID 167 (L): CA 64.900 64.900 56.943 7.957 RESID 167 (L): CB 36.400 36.400 42.355 -5.955 RESID 168 (S): N 119.400 119.400 113.508 5.892 RESID 168 (S): C 174.100 174.100 176.560 -2.460 RESID 168 (S): CA 55.700 55.700 59.276 -3.576 RESID 168 (S): CB 57.600 57.600 62.307 -4.707 RESID 169 (L): N 122.900 122.900 123.961 -1.061 RESID 169 (L): C 177.500 177.500 175.659 1.841 RESID 169 (L): CA 56.460 56.460 59.317 -2.857 RESID 169 (L): CB 39.200 39.200 39.245 -0.045 RESID 171 (F): N 118.600 118.600 118.211 0.389 RESID 171 (F): C 173.600 173.600 177.282 -3.682 RESID 171 (F): CA 61.700 61.700 60.544 1.156 RESID 172 (F): N 116.300 116.300 118.085 -1.785 RESID 172 (F): C 174.200 174.200 176.535 -2.335 RESID 172 (F): CA 59.500 59.500 60.558 -1.058 RESID 172 (F): CB 42.000 42.000 38.816 3.184 RESID 173 (L): N 120.400 120.400 118.630 1.770 RESID 173 (L): C 177.300 177.300 178.357 -1.057 RESID 173 (L): CA 54.730 54.730 57.862 -3.132 RESID 173 (L): CB 37.230 37.230 42.548 -5.318 RESID 174 (F): N 121.200 121.200 111.365 9.835 RESID 174 (F): C 177.000 177.000 174.841 2.159 RESID 174 (F): CA 59.000 59.000 58.168 0.832 RESID 174 (F): CB 43.220 43.220 42.815 0.405 RESID 175 (R): N 118.500 118.500 120.724 -2.224 RESID 175 (R): C 178.400 178.400 176.282 2.118 RESID 175 (R): CA 56.200 56.200 56.744 -0.544 RESID 176 (Q): N 122.100 122.100 116.666 5.434 RESID 176 (Q): C 178.000 178.000 174.167 3.833 RESID 176 (Q): CA 56.200 56.200 57.758 -1.558 RESID 177 (A): N 123.200 123.200 119.110 4.090 RESID 177 (A): C 176.900 176.900 174.636 2.264 RESID 177 (A): CA 54.300 54.300 51.621 2.679 RESID 177 (A): CB 16.870 16.870 21.215 -4.345 RESID 178 (Y): N 120.700 120.700 116.087 4.613 RESID 178 (Y): C 174.800 174.800 175.252 -0.452 RESID 178 (Y): CA 56.600 56.600 56.333 0.267 RESID 178 (Y): CB 39.900 39.900 38.194 1.706 RESID 179 (H): N 119.600 119.600 122.461 -2.861 RESID 179 (H): C 176.600 176.600 174.242 2.358 RESID 179 (H): CA 58.220 58.220 55.041 3.179 RESID 179 (H): CB 31.560 31.560 30.933 0.627 RESID 181 (N): N 119.200 119.200 116.603 2.597 RESID 181 (N): C 172.500 172.500 174.444 -1.944 RESID 181 (N): CA 56.150 56.150 52.347 3.803 RESID 181 (N): CB 36.500 36.500 41.708 -5.208 RESID 182 (N): N 114.100 114.100 120.649 -6.549 RESID 182 (N): C 175.800 175.800 173.973 1.827 RESID 182 (N): CA 55.500 55.500 54.858 0.642 RESID 183 (S): N 117.200 117.200 116.990 0.210 RESID 183 (S): C 175.600 175.600 172.638 2.962 RESID 183 (S): CA 55.400 55.400 57.944 -2.544 RESID 183 (S): CB 63.800 63.800 62.516 1.284 RESID 184 (S): N 117.000 117.000 115.937 1.063 RESID 184 (S): C 175.000 175.000 172.150 2.850 RESID 184 (S): CA 55.500 55.500 56.142 -0.642 RESID 184 (S): CB 63.800 63.800 65.096 -1.296 RESID 186 (V): N 119.500 119.500 116.352 3.148 RESID 186 (V): C 175.300 175.300 174.738 0.562 RESID 186 (V): CA 65.290 65.290 61.063 4.227 RESID 186 (V): CB 30.120 30.120 33.089 -2.969 RESID 187 (C): N 116.500 116.500 125.124 -8.624 RESID 187 (C): C 176.300 176.300 174.376 1.924 RESID 187 (C): CA 56.000 56.000 58.705 -2.705 RESID 187 (C): CB 40.000 40.000 28.705 11.295 RESID 188 (Y): N 121.300 121.300 123.023 -1.723 RESID 188 (Y): C 176.500 176.500 173.738 2.762 RESID 188 (Y): CA 55.860 55.860 55.965 -0.105 RESID 188 (Y): CB 40.240 40.240 40.397 -0.157 RESID 189 (E): N 122.000 122.000 119.584 2.416 RESID 189 (E): C 175.500 175.500 175.267 0.233 RESID 189 (E): CA 57.900 57.900 56.419 1.481 RESID 189 (E): CB 31.840 31.840 29.597 2.243 RESID 190 (V): N 123.500 123.500 116.754 6.746 RESID 190 (V): C 172.800 172.800 176.893 -4.093 RESID 190 (V): CA 65.670 65.670 62.649 3.021 RESID 190 (V): CB 29.200 29.200 32.608 -3.408 RESID 191 (L): N 129.900 129.900 127.319 2.581 RESID 191 (L): CA 55.500 55.500 56.612 -1.112 RESID 192 (G): N 107.500 107.500 102.768 4.732 RESID 192 (G): C 173.500 173.500 173.852 -0.352 RESID 192 (G): CA 44.870 44.870 44.391 0.479 RESID 193 (N): N 116.600 116.600 117.572 -0.972 RESID 193 (N): CA 52.800 52.800 55.893 -3.093 RESID 193 (N): CB 39.560 39.560 38.766 0.794 RESID 194 (D): N 123.100 123.100 118.194 4.906 RESID 194 (D): C 172.800 172.800 176.537 -3.737 RESID 194 (D): CA 53.900 53.900 55.067 -1.167 RESID 194 (D): CB 39.700 39.700 40.044 -0.344 RESID 195 (T): N 118.800 118.800 112.181 6.619 RESID 195 (T): C 175.500 175.500 175.045 0.455 RESID 195 (T): CA 63.000 63.000 64.957 -1.958 RESID 196 (A): N 123.300 123.300 123.451 -0.151 RESID 196 (A): C 173.000 173.000 178.163 -5.163 RESID 196 (A): CA 53.800 53.800 54.422 -0.622 RESID 196 (A): CB 17.240 17.240 18.804 -1.564 RESID 197 (K): N 121.700 121.700 113.639 8.061 RESID 197 (K): C 175.000 175.000 174.963 0.037 RESID 197 (K): CA 56.900 56.900 53.924 2.976 RESID 197 (K): CB 29.900 29.900 32.995 -3.095 RESID 198 (W): N 120.700 120.700 117.447 3.253 RESID 198 (W): C 177.600 177.600 176.778 0.822 RESID 198 (W): CA 59.300 59.300 57.325 1.974 RESID 198 (W): CB 29.700 29.700 25.778 3.922 RESID 199 (R): N 123.500 123.500 119.325 4.175 RESID 199 (R): C 178.100 178.100 178.303 -0.203 RESID 199 (R): CA 55.950 55.950 59.098 -3.148 RESID 199 (R): CB 31.060 31.060 29.686 1.374 RESID 200 (M): N 119.900 119.900 120.630 -0.730 RESID 200 (M): C 175.400 175.400 177.922 -2.522 RESID 200 (M): CA 58.100 58.100 59.192 -1.092 RESID 200 (M): CB 31.100 31.100 32.514 -1.414 RESID 201 (V): N 123.700 123.700 117.288 6.412 RESID 201 (V): C 174.900 174.900 177.591 -2.691 RESID 201 (V): CA 65.700 65.700 65.546 0.154 RESID 201 (V): CB 29.180 29.180 30.787 -1.607 RESID 202 (L): N 124.000 124.000 121.434 2.566 RESID 202 (L): C 172.700 172.700 177.912 -5.212 RESID 202 (L): CA 54.800 54.800 58.708 -3.908 RESID 203 (R): N 124.000 124.000 118.883 5.117 RESID 203 (R): C 176.200 176.200 178.437 -2.237 RESID 203 (R): CA 55.800 55.800 58.491 -2.691 RESID 203 (R): CB 31.260 31.260 28.980 2.280 RESID 204 (I): N 120.500 120.500 119.167 1.333 RESID 204 (I): C 176.000 176.000 178.542 -2.542 RESID 204 (I): CA 64.700 64.700 64.270 0.430 RESID 204 (I): CB 36.400 36.400 37.584 -1.185 RESID 205 (L): N 123.400 123.400 121.453 1.947 RESID 205 (L): C 176.000 176.000 175.660 0.340 RESID 205 (L): CA 55.000 55.000 60.215 -5.215 RESID 206 (P): CA 62.500 62.500 65.869 -3.369 RESID 207 (H): N 113.500 113.500 118.572 -5.072 RESID 207 (H): C 175.200 175.200 177.590 -2.390 RESID 207 (H): CA 53.110 53.110 60.450 -7.340 RESID 207 (H): CB 30.000 30.000 30.767 -0.767 RESID 208 (T): N 122.100 122.100 116.883 5.217 RESID 208 (T): C 178.000 178.000 176.426 1.574 RESID 208 (T): CA 62.850 62.850 66.734 -3.884 RESID 209 (F): N 117.500 117.500 121.321 -3.821 RESID 209 (F): C 175.400 175.400 177.165 -1.765 RESID 209 (F): CA 59.850 59.850 60.180 -0.330 RESID 210 (G): N 111.700 111.700 106.638 5.062 RESID 210 (G): C 174.100 174.100 174.243 -0.143 RESID 210 (G): CA 45.000 45.000 46.246 -1.246 RESID 211 (F): N 120.900 120.900 118.757 2.143 RESID 211 (F): C 175.000 175.000 177.227 -2.227 RESID 211 (F): CA 55.950 55.950 60.731 -4.781 RESID 212 (I): N 120.100 120.100 120.430 -0.330 RESID 212 (I): C 175.900 175.900 177.643 -1.743 RESID 212 (I): CA 64.440 64.440 64.439 0.001 RESID 212 (I): CB 36.600 36.600 37.308 -0.708 RESID 213 (V): N 123.400 123.400 119.921 3.479 RESID 213 (V): C 175.300 175.300 174.812 0.488 RESID 213 (V): CA 65.750 65.750 68.517 -2.767 RESID 213 (V): CB 29.680 29.680 28.679 1.001 RESID 215 (L): N 125.300 125.300 119.358 5.942 RESID 215 (L): C 177.200 177.200 178.997 -1.797 RESID 215 (L): CA 55.700 55.700 58.028 -2.328 RESID 215 (L): CB 40.150 40.150 41.972 -1.822 RESID 216 (F): N 123.800 123.800 117.620 6.180 RESID 216 (F): C 179.200 179.200 177.255 1.945 RESID 216 (F): CA 60.650 60.650 60.529 0.121 RESID 216 (F): CB 37.000 37.000 38.081 -1.081 RESID 217 (V): N 118.500 118.500 120.054 -1.554 RESID 217 (V): C 175.400 175.400 177.526 -2.126 RESID 217 (V): CA 65.660 65.660 65.248 0.412 RESID 217 (V): CB 29.920 29.920 30.547 -0.627 RESID 218 (M): N 118.300 118.300 118.524 -0.224 RESID 218 (M): C 174.400 174.400 178.183 -3.783 RESID 218 (M): CA 55.000 55.000 59.468 -4.468 RESID 218 (M): CB 31.650 31.650 31.566 0.084 RESID 219 (L): N 120.500 120.500 118.919 1.581 RESID 219 (L): C 177.600 177.600 179.320 -1.720 RESID 219 (L): CA 55.800 55.800 58.341 -2.541 RESID 219 (L): CB 40.810 40.810 40.956 -0.146 RESID 220 (F): N 124.700 124.700 118.986 5.714 RESID 220 (F): C 176.000 176.000 178.324 -2.324 RESID 220 (F): CA 61.170 61.170 60.191 0.979 RESID 221 (C): N 117.800 117.800 118.943 -1.143 RESID 221 (C): C 176.000 176.000 177.246 -1.246 RESID 221 (C): CA 61.870 61.870 62.605 -0.735 RESID 222 (Y): N 122.000 122.000 121.958 0.042 RESID 222 (Y): C 178.400 178.400 178.760 -0.360 RESID 222 (Y): CA 57.500 57.500 60.100 -2.600 RESID 222 (Y): CB 37.150 37.150 37.456 -0.306 RESID 223 (G): N 110.300 110.300 106.414 3.886 RESID 223 (G): C 174.500 174.500 175.826 -1.326 RESID 223 (G): CA 41.700 41.700 46.973 -5.273 RESID 224 (F): N 120.100 120.100 120.640 -0.540 RESID 224 (F): C 176.500 176.500 178.443 -1.943 RESID 224 (F): CA 62.300 62.300 61.178 1.122 RESID 224 (F): CB 36.900 36.900 39.452 -2.552 RESID 225 (T): N 118.500 118.500 114.933 3.567 RESID 225 (T): C 175.000 175.000 177.090 -2.090 RESID 225 (T): CA 64.650 64.650 66.206 -1.556 RESID 226 (L): N 122.900 122.900 122.000 0.900 RESID 226 (L): C 177.200 177.200 178.582 -1.382 RESID 226 (L): CA 55.900 55.900 56.766 -0.866 RESID 226 (L): CB 39.400 39.400 40.683 -1.283 RESID 227 (R): N 121.000 121.000 118.946 2.054 RESID 227 (R): C 177.200 177.200 177.446 -0.246 RESID 227 (R): CA 54.600 54.600 58.612 -4.012 RESID 227 (R): CB 28.500 28.500 29.805 -1.306 RESID 228 (T): N 119.600 119.600 113.255 6.345 RESID 228 (T): C 176.900 176.900 174.861 2.039 RESID 228 (T): CA 64.750 64.750 64.142 0.608 RESID 228 (T): CB 66.560 66.560 70.418 -3.858 RESID 229 (L): N 125.600 125.600 124.316 1.284 RESID 229 (L): C 177.800 177.800 176.431 1.369 RESID 229 (L): CA 55.700 55.700 53.659 2.041 RESID 229 (L): CB 40.260 40.260 39.125 1.135 RESID 230 (F): N 121.900 121.900 124.891 -2.991 RESID 230 (F): C 176.900 176.900 176.539 0.361 RESID 230 (F): CA 58.770 58.770 61.205 -2.435 RESID 230 (F): CB 41.940 41.940 39.736 2.204 RESID 231 (K): N 121.600 121.600 118.987 2.613 RESID 231 (K): C 174.900 174.900 175.897 -0.997 RESID 231 (K): CA 56.000 56.000 56.139 -0.139 RESID 231 (K): CB 30.900 30.900 32.345 -1.445 RESID 232 (A): N 123.500 123.500 124.725 -1.225 RESID 232 (A): C 176.900 176.900 176.664 0.236 RESID 232 (A): CA 54.000 54.000 53.134 0.866 RESID 232 (A): CB 21.830 21.830 18.565 3.265 RESID 233 (H): N 123.500 123.500 119.607 3.893 RESID 233 (H): C 176.100 176.100 173.217 2.883 RESID 233 (H): CA 55.700 55.700 52.981 2.719 RESID 233 (H): CB 29.060 29.060 29.184 -0.124 RESID 234 (M): N 120.000 120.000 119.311 0.689 RESID 234 (M): C 176.700 176.700 176.493 0.207 RESID 234 (M): CA 58.000 58.000 55.404 2.596 RESID 234 (M): CB 31.810 31.810 32.195 -0.385 RESID 235 (G): N 109.600 109.600 110.491 -0.891 RESID 235 (G): C 173.300 173.300 174.857 -1.557 RESID 235 (G): CA 42.800 42.800 45.580 -2.780 RESID 236 (Q): N 116.800 116.800 120.347 -3.547 RESID 236 (Q): C 173.100 173.100 176.496 -3.396 RESID 236 (Q): CA 55.000 55.000 56.703 -1.703 RESID 236 (Q): CB 25.400 25.400 27.976 -2.576 RESID 237 (K): N 123.200 123.200 120.343 2.857 RESID 237 (K): C 178.100 178.100 176.916 1.184 RESID 237 (K): CA 56.000 56.000 58.707 -2.707 RESID 237 (K): CB 31.110 31.110 32.423 -1.313 RESID 238 (H): N 123.600 123.600 113.319 10.281 RESID 238 (H): C 177.000 177.000 176.798 0.202 RESID 238 (H): CA 54.720 54.720 56.968 -2.248 RESID 238 (H): CB 30.000 30.000 32.241 -2.241 RESID 239 (R): N 122.100 122.100 121.372 0.728 RESID 239 (R): C 176.600 176.600 177.830 -1.230 RESID 239 (R): CA 55.650 55.650 58.964 -3.313 RESID 239 (R): CB 31.100 31.100 28.415 2.685 RESID 240 (A): N 121.800 121.800 122.881 -1.081 RESID 240 (A): C 175.900 175.900 179.017 -3.117 RESID 240 (A): CA 52.800 52.800 55.164 -2.364 RESID 240 (A): CB 16.700 16.700 17.961 -1.261 RESID 241 (M): N 120.200 120.200 118.177 2.023 RESID 241 (M): C 175.600 175.600 178.159 -2.559 RESID 241 (M): CA 58.100 58.100 58.868 -0.768 RESID 241 (M): CB 31.810 31.810 32.376 -0.566 RESID 242 (R): N 121.200 121.200 119.323 1.877 RESID 242 (R): C 177.400 177.400 178.763 -1.363 RESID 242 (R): CA 56.000 56.000 59.212 -3.212 RESID 242 (R): CB 30.910 30.910 30.196 0.714 RESID 243 (V): N 119.700 119.700 120.241 -0.541 RESID 243 (V): C 175.600 175.600 177.613 -2.013 RESID 243 (V): CA 65.470 65.470 65.460 0.010 RESID 243 (V): CB 29.400 29.400 31.800 -2.401 RESID 244 (I): N 120.900 120.900 119.258 1.642 RESID 244 (I): C 175.500 175.500 177.217 -1.717 RESID 244 (I): CA 64.600 64.600 65.492 -0.892 RESID 244 (I): CB 36.800 36.800 37.235 -0.435 RESID 245 (F): N 117.200 117.200 120.485 -3.285 RESID 245 (F): C 175.100 175.100 176.663 -1.563 RESID 245 (F): CA 60.200 60.200 61.195 -0.995 RESID 245 (F): CB 39.770 39.770 39.069 0.702 RESID 246 (A): N 122.300 122.300 122.595 -0.295 RESID 246 (A): C 177.700 177.700 179.147 -1.447 RESID 246 (A): CA 53.200 53.200 55.358 -2.158 RESID 246 (A): CB 16.880 16.880 17.853 -0.973 RESID 247 (V): N 121.000 121.000 116.622 4.378 RESID 247 (V): C 175.000 175.000 176.753 -1.753 RESID 247 (V): CA 66.450 66.450 64.988 1.462 RESID 247 (V): CB 29.550 29.550 30.474 -0.924 RESID 248 (V): N 122.300 122.300 118.289 4.011 RESID 248 (V): C 177.200 177.200 177.235 -0.035 RESID 248 (V): CA 64.860 64.860 65.588 -0.729 RESID 248 (V): CB 30.140 30.140 31.157 -1.017 RESID 249 (L): N 119.300 119.300 120.992 -1.692 RESID 249 (L): C 176.400 176.400 178.699 -2.299 RESID 249 (L): CA 56.180 56.180 57.597 -1.417 RESID 249 (L): CB 40.650 40.650 41.123 -0.473 RESID 250 (I): N 121.200 121.200 119.283 1.917 RESID 250 (I): C 176.900 176.900 178.074 -1.174 RESID 250 (I): CA 64.200 64.200 65.292 -1.092 RESID 250 (I): CB 36.700 36.700 36.793 -0.093 RESID 251 (F): N 125.100 125.100 116.911 8.189 RESID 251 (F): C 177.100 177.100 179.240 -2.140 RESID 251 (F): CA 59.800 59.800 58.553 1.246 RESID 252 (L): N 118.800 118.800 119.855 -1.055 RESID 252 (L): C 176.700 176.700 178.539 -1.839 RESID 252 (L): CA 56.000 56.000 56.328 -0.328 RESID 252 (L): CB 40.700 40.700 41.006 -0.306 RESID 253 (L): N 121.800 121.800 121.540 0.260 RESID 253 (L): C 176.700 176.700 176.922 -0.222 RESID 253 (L): CA 56.220 56.220 58.525 -2.305 RESID 253 (L): CB 40.000 40.000 41.984 -1.984 RESID 254 (C): N 119.800 119.800 113.752 6.048 RESID 254 (C): C 176.800 176.800 176.338 0.462 RESID 254 (C): CA 58.300 58.300 60.215 -1.915 RESID 254 (C): CB 28.040 28.040 29.030 -0.990 RESID 255 (W): N 121.300 121.300 122.524 -1.224 RESID 255 (W): C 178.400 178.400 176.919 1.481 RESID 255 (W): CA 56.940 56.940 58.413 -1.473 RESID 255 (W): CB 29.850 29.850 29.878 -0.028 RESID 256 (L): N 124.900 124.900 123.607 1.293 RESID 256 (L): C 177.700 177.700 175.977 1.723 RESID 256 (L): CA 55.840 55.840 59.352 -3.512 RESID 256 (L): CB 40.000 40.000 38.786 1.214 RESID 258 (Y): N 124.900 124.900 119.886 5.014 RESID 258 (Y): C 179.000 179.000 177.145 1.855 RESID 258 (Y): CA 58.330 58.330 61.180 -2.850 RESID 258 (Y): CB 42.070 42.070 37.526 4.544 RESID 259 (N): N 123.000 123.000 117.935 5.065 RESID 259 (N): C 173.000 173.000 177.188 -4.188 RESID 259 (N): CA 53.900 53.900 55.094 -1.194 RESID 259 (N): CB 37.620 37.620 37.188 0.431 RESID 260 (L): N 121.800 121.800 120.809 0.991 RESID 260 (L): C 175.300 175.300 178.619 -3.319 RESID 260 (L): CA 56.190 56.190 58.426 -2.236 RESID 260 (L): CB 39.060 39.060 41.786 -2.726 RESID 261 (V): N 118.600 118.600 118.932 -0.332 RESID 261 (V): C 175.000 175.000 177.379 -2.379 RESID 261 (V): CA 65.200 65.200 66.387 -1.187 RESID 261 (V): CB 29.620 29.620 31.796 -2.176 RESID 262 (L): N 121.800 121.800 120.589 1.211 RESID 262 (L): C 176.600 176.600 178.613 -2.013 RESID 262 (L): CA 56.000 56.000 58.587 -2.587 RESID 262 (L): CB 40.070 40.070 41.275 -1.205 RESID 263 (L): N 123.500 123.500 118.707 4.793 RESID 263 (L): C 176.000 176.000 178.831 -2.831 RESID 263 (L): CA 55.600 55.600 57.878 -2.278 RESID 263 (L): CB 40.620 40.620 41.094 -0.474 RESID 264 (A): N 122.200 122.200 121.464 0.736 RESID 264 (A): C 174.400 174.400 178.882 -4.482 RESID 264 (A): CA 53.300 53.300 55.602 -2.303 RESID 264 (A): CB 15.820 15.820 17.867 -2.047 RESID 265 (D): N 126.500 126.500 119.472 7.028 RESID 265 (D): C 171.600 171.600 179.404 -7.804 RESID 265 (D): CA 56.300 56.300 57.238 -0.938 RESID 266 (T): N 120.700 120.700 116.958 3.742 RESID 266 (T): C 175.300 175.300 175.756 -0.456 RESID 266 (T): CA 60.300 60.300 66.451 -6.151 RESID 267 (L): N 121.600 121.600 119.435 2.165 RESID 267 (L): C 176.100 176.100 177.592 -1.492 RESID 267 (L): CA 55.950 55.950 56.317 -0.367 RESID 267 (L): CB 40.130 40.130 42.388 -2.258 RESID 268 (M): N 120.200 120.200 117.290 2.910 RESID 268 (M): C 176.800 176.800 175.618 1.182 RESID 268 (M): CA 58.200 58.200 54.894 3.306 RESID 268 (M): CB 31.900 31.900 32.223 -0.323 RESID 269 (R): N 116.700 116.700 120.984 -4.284 RESID 269 (R): C 175.500 175.500 177.183 -1.683 RESID 269 (R): CA 57.000 57.000 57.644 -0.644 RESID 269 (R): CB 29.700 29.700 28.306 1.394 RESID 270 (T): N 117.100 117.100 106.157 10.943 RESID 270 (T): C 175.700 175.700 173.952 1.748 RESID 270 (T): CA 64.000 64.000 63.429 0.571 RESID 271 (Q): N 122.800 122.800 120.789 2.011 RESID 271 (Q): C 176.000 176.000 175.300 0.700 RESID 271 (Q): CA 57.400 57.400 54.948 2.452 RESID 272 (V): N 121.300 121.300 116.540 4.760 RESID 272 (V): C 176.000 176.000 175.635 0.365 RESID 272 (V): CA 63.670 63.670 63.280 0.390 RESID 272 (V): CB 35.310 35.310 30.537 4.773 RESID 273 (I): N 123.300 123.300 123.261 0.039 RESID 273 (I): C 178.300 178.300 176.478 1.822 RESID 273 (I): CA 64.000 64.000 60.872 3.128 RESID 273 (I): CB 36.000 36.000 38.880 -2.880 RESID 274 (Q): N 123.400 123.400 122.257 1.143 RESID 274 (Q): C 176.000 176.000 174.935 1.065 RESID 274 (Q): CA 56.950 56.950 57.331 -0.381 RESID 275 (E): N 123.600 123.600 114.707 8.893 RESID 275 (E): C 177.200 177.200 175.246 1.954 RESID 275 (E): CA 55.730 55.730 55.763 -0.033 RESID 275 (E): CB 29.130 29.130 29.804 -0.674 RESID 276 (S): N 116.400 116.400 119.981 -3.581 RESID 276 (S): CA 61.300 61.300 61.068 0.232 RESID 276 (S): CB 63.340 63.340 62.960 0.380 RESID 277 (C): N 117.200 117.200 121.180 -3.980 RESID 277 (C): C 175.600 175.600 177.373 -1.773 RESID 277 (C): CA 55.300 55.300 63.334 -8.034 RESID 277 (C): CB 25.240 25.240 25.985 -0.745 RESID 278 (E): N 120.900 120.900 118.847 2.053 RESID 278 (E): C 175.200 175.200 179.018 -3.818 RESID 278 (E): CA 58.200 58.200 59.096 -0.895 RESID 278 (E): CB 28.890 28.890 28.661 0.229 RESID 279 (R): N 123.000 123.000 120.129 2.871 RESID 279 (R): C 176.600 176.600 178.405 -1.805 RESID 279 (R): CA 56.200 56.200 58.814 -2.614 RESID 279 (R): CB 29.500 29.500 29.479 0.021 RESID 280 (R): N 124.000 124.000 117.197 6.803 RESID 280 (R): C 176.300 176.300 177.826 -1.526 RESID 280 (R): CA 55.870 55.870 58.731 -2.861 RESID 280 (R): CB 28.250 28.250 29.861 -1.611 RESID 281 (N): N 121.100 121.100 116.973 4.127 RESID 281 (N): C 174.600 174.600 176.791 -2.191 RESID 281 (N): CA 51.880 51.880 55.170 -3.290 RESID 281 (N): CB 37.700 37.700 37.455 0.245 RESID 282 (N): N 121.600 121.600 118.886 2.714 RESID 282 (N): C 176.600 176.600 178.181 -1.581 RESID 282 (N): CA 55.800 55.800 56.194 -0.394 RESID 282 (N): CB 39.000 39.000 38.519 0.481 RESID 283 (I): N 120.800 120.800 113.342 7.458 RESID 283 (I): C 175.200 175.200 176.586 -1.386 RESID 283 (I): CA 64.500 64.500 62.646 1.854 RESID 283 (I): CB 36.600 36.600 37.403 -0.803 RESID 284 (G): N 110.500 110.500 107.251 3.249 RESID 284 (G): C 176.800 176.800 176.306 0.494 RESID 284 (G): CA 41.400 41.400 45.525 -4.125 RESID 286 (A): N 122.800 122.800 121.845 0.955 RESID 286 (A): C 178.500 178.500 178.882 -0.382 RESID 286 (A): CA 53.840 53.840 54.487 -0.647 RESID 286 (A): CB 16.630 16.630 18.721 -2.091 RESID 287 (L): N 125.500 125.500 119.112 6.388 RESID 287 (L): C 175.800 175.800 177.863 -2.063 RESID 287 (L): CA 56.150 56.150 58.022 -1.872 RESID 287 (L): CB 40.200 40.200 41.066 -0.866 RESID 288 (D): N 116.800 116.800 118.360 -1.560 RESID 288 (D): C 176.500 176.500 178.134 -1.634 RESID 288 (D): CA 56.250 56.250 56.839 -0.589 RESID 289 (A): N 124.600 124.600 122.224 2.376 RESID 289 (A): C 177.500 177.500 179.738 -2.238 RESID 289 (A): CA 53.250 53.250 55.418 -2.168 RESID 289 (A): CB 16.900 16.900 18.837 -1.937 RESID 290 (T): N 114.900 114.900 114.104 0.796 RESID 290 (T): C 177.000 177.000 176.460 0.540 RESID 290 (T): CA 64.100 64.100 66.367 -2.267 RESID 291 (E): N 120.800 120.800 122.315 -1.515 RESID 291 (E): C 177.000 177.000 178.781 -1.781 RESID 291 (E): CA 57.500 57.500 59.355 -1.855 RESID 291 (E): CB 29.700 29.700 29.863 -0.163 RESID 292 (I): N 121.300 121.300 117.806 3.494 RESID 292 (I): C 176.000 176.000 178.484 -2.484 RESID 292 (I): CA 64.300 64.300 64.379 -0.079 RESID 292 (I): CB 36.640 36.640 37.559 -0.919 RESID 293 (L): N 122.700 122.700 121.078 1.622 RESID 293 (L): C 175.100 175.100 179.004 -3.904 RESID 293 (L): CA 55.600 55.600 57.799 -2.199 RESID 293 (L): CB 39.440 39.440 41.160 -1.720 RESID 294 (G): N 108.500 108.500 106.595 1.905 RESID 294 (G): C 173.800 173.800 175.893 -2.093 RESID 294 (G): CA 45.030 45.030 46.854 -1.824 RESID 295 (F): N 121.600 121.600 122.156 -0.556 RESID 295 (F): C 177.500 177.500 176.712 0.788 RESID 295 (F): CA 58.500 58.500 58.844 -0.344 RESID 296 (L): N 120.900 120.900 118.549 2.351 RESID 296 (L): C 175.300 175.300 177.304 -2.004 RESID 296 (L): CA 55.900 55.900 55.627 0.273 RESID 296 (L): CB 40.000 40.000 39.203 0.797 RESID 297 (H): N 120.600 120.600 113.413 7.187 RESID 297 (H): C 176.600 176.600 175.676 0.924 RESID 297 (H): CA 57.700 57.700 56.797 0.903 RESID 297 (H): CB 30.130 30.130 29.679 0.451 RESID 298 (S): N 122.500 122.500 112.626 9.874 RESID 298 (S): C 177.700 177.700 174.663 3.037 RESID 298 (S): CA 62.580 62.580 57.753 4.827 RESID 298 (S): CB 64.530 64.530 64.668 -0.138 RESID 299 (C): N 121.600 121.600 118.793 2.807 RESID 299 (C): C 177.300 177.300 175.323 1.977 RESID 299 (C): CA 59.200 59.200 60.020 -0.820 RESID 299 (C): CB 27.360 27.360 30.354 -2.994 RESID 300 (L): N 121.300 121.300 121.712 -0.412 RESID 300 (L): C 179.000 179.000 177.579 1.421 RESID 300 (L): CA 54.960 54.960 57.886 -2.925 RESID 300 (L): CB 40.740 40.740 41.847 -1.107 RESID 301 (N): N 119.000 119.000 119.364 -0.364 RESID 301 (N): C 176.600 176.600 174.244 2.356 RESID 301 (N): CA 53.300 53.300 57.943 -4.643 RESID 301 (N): CB 36.760 36.760 36.700 0.060 RESID 302 (P): CA 58.860 58.860 65.733 -6.873 RESID 303 (I): N 120.900 120.900 119.484 1.416 RESID 303 (I): C 173.700 173.700 178.286 -4.586 RESID 303 (I): CA 66.500 66.500 65.358 1.142 RESID 303 (I): CB 36.650 36.650 37.957 -1.307 RESID 304 (I): N 120.400 120.400 119.667 0.733 RESID 304 (I): C 175.900 175.900 178.186 -2.286 RESID 304 (I): CA 65.800 65.800 64.088 1.712 RESID 304 (I): CB 36.330 36.330 36.874 -0.544 RESID 305 (Y): N 120.300 120.300 120.009 0.291 RESID 305 (Y): C 174.800 174.800 177.530 -2.730 RESID 305 (Y): CA 56.700 56.700 62.428 -5.729 RESID 305 (Y): CB 37.900 37.900 37.688 0.212 RESID 306 (A): N 123.300 123.300 121.171 2.129 RESID 306 (A): C 172.000 172.000 179.124 -7.124 RESID 306 (A): CA 54.350 54.350 54.444 -0.094 RESID 306 (A): CB 16.400 16.400 18.070 -1.670 RESID 307 (F): N 120.400 120.400 117.669 2.731 RESID 307 (F): C 175.900 175.900 177.772 -1.872 RESID 307 (F): CA 60.250 60.250 61.543 -1.293 RESID 307 (F): CB 40.200 40.200 38.943 1.257 RESID 308 (I): N 120.700 120.700 117.821 2.879 RESID 308 (I): C 177.200 177.200 177.184 0.016 RESID 308 (I): CA 64.550 64.550 63.698 0.852 RESID 308 (I): CB 36.600 36.600 37.947 -1.347 RESID 309 (G): N 111.300 111.300 106.547 4.753 RESID 309 (G): C 174.000 174.000 173.487 0.513 RESID 309 (G): CA 41.600 41.600 45.195 -3.595 RESID 310 (Q): N 119.400 119.400 116.424 2.976 RESID 310 (Q): C 176.200 176.200 176.510 -0.310 RESID 310 (Q): CA 57.800 57.800 56.444 1.356 RESID 310 (Q): CB 31.900 31.900 30.230 1.670 RESID 311 (N): N 120.100 120.100 119.019 1.081 RESID 311 (N): C 175.600 175.600 176.682 -1.082 RESID 311 (N): CA 55.500 55.500 54.812 0.688 RESID 311 (N): CB 38.800 38.800 37.942 0.858 RESID 312 (F): N 120.700 120.700 118.891 1.809 RESID 312 (F): C 175.400 175.400 177.579 -2.179 RESID 312 (F): CA 58.300 58.300 61.058 -2.758 RESID 312 (F): CB 36.800 36.800 38.950 -2.151 RESID 313 (R): N 123.000 123.000 119.855 3.145 RESID 313 (R): C 174.500 174.500 177.959 -3.459 RESID 313 (R): CA 56.000 56.000 59.607 -3.607 RESID 313 (R): CB 29.300 29.300 29.924 -0.624 RESID 314 (H): N 122.100 122.100 115.167 6.933 RESID 314 (H): C 176.300 176.300 177.183 -0.883 RESID 314 (H): CA 58.600 58.600 58.062 0.538 RESID 314 (H): CB 29.900 29.900 29.409 0.491 RESID 315 (G): N 109.700 109.700 108.755 0.945 RESID 315 (G): C 174.100 174.100 175.826 -1.726 RESID 315 (G): CA 47.200 47.200 46.889 0.311 RESID 316 (F): N 123.600 123.600 120.506 3.094 RESID 316 (F): C 176.200 176.200 177.461 -1.261 RESID 316 (F): CA 58.200 58.200 61.169 -2.969 RESID 317 (L): N 122.000 122.000 120.513 1.487 RESID 317 (L): C 176.600 176.600 178.442 -1.842 RESID 317 (L): CA 55.700 55.700 57.579 -1.879 RESID 317 (L): CB 40.200 40.200 41.950 -1.750 RESID 318 (K): N 121.800 121.800 119.397 2.403 RESID 318 (K): C 177.500 177.500 179.353 -1.853 RESID 318 (K): CA 56.200 56.200 59.767 -3.567 RESID 318 (K): CB 30.000 30.000 32.013 -2.013 RESID 319 (I): N 120.600 120.600 119.423 1.177 RESID 319 (I): C 176.000 176.000 178.130 -2.130 RESID 319 (I): CA 65.200 65.200 63.718 1.482 RESID 319 (I): CB 36.400 36.400 37.864 -1.464 RESID 320 (L): N 121.900 121.900 119.660 2.240 RESID 320 (L): C 176.800 176.800 178.580 -1.780 RESID 320 (L): CA 56.200 56.200 57.620 -1.420 RESID 320 (L): CB 40.000 40.000 41.833 -1.833 RESID 321 (A): N 123.000 123.000 120.868 2.132 RESID 321 (A): C 177.100 177.100 178.964 -1.864 RESID 321 (A): CA 55.000 55.000 54.379 0.621 RESID 321 (A): CB 18.000 18.000 19.082 -1.082 RESID 322 (M): N 120.400 120.400 115.106 5.294 RESID 322 (M): C 173.300 173.300 177.658 -4.358 RESID 322 (M): CA 56.100 56.100 56.904 -0.804 RESID 323 (H): N 120.700 120.700 116.130 4.570 RESID 323 (H): C 173.200 173.200 175.663 -2.463 RESID 323 (H): CA 57.000 57.000 58.154 -1.155 RESID 323 (H): CB 29.700 29.700 28.906 0.794 N HA C CA CB H RESID 31 (M): -1.191 ----- -3.662 4.173 0.067 ----- RESID 32 (L): 5.979 ----- -4.179 -2.981 -2.713 ----- RESID 33 (E): 10.626 ----- -3.076 -1.469 0.770 ----- RESID 34 (T): 2.614 ----- -2.266 3.158 -3.272 ----- RESID 35 (E): 3.553 ----- -8.363 -2.708 -1.403 ----- RESID 36 (T): -6.697 ----- -0.546 1.329 ----- ----- RESID 37 (L): 2.286 ----- 0.654 1.111 0.973 ----- RESID 38 (N): -0.552 ----- 0.717 -0.287 2.358 ----- RESID 39 (K): 0.812 ----- -4.557 -2.276 -2.191 ----- RESID 40 (Y): 1.185 ----- -1.386 -3.336 1.392 ----- RESID 41 (V): 3.848 ----- -1.757 -1.503 -1.125 ----- RESID 42 (V): -0.506 ----- -2.255 -0.828 -1.024 ----- RESID 43 (I): 1.232 ----- -1.403 0.613 0.506 ----- RESID 44 (I): -0.922 ----- -2.854 -5.232 0.085 ----- RESID 45 (A): -1.144 ----- -4.059 -2.781 -1.374 ----- RESID 46 (Y): 0.358 ----- -2.253 -2.807 1.756 ----- RESID 47 (A): 1.275 ----- -4.935 -1.442 -2.699 ----- RESID 48 (L): -1.912 ----- -1.526 -0.760 ----- ----- RESID 49 (V): -1.990 ----- 2.659 1.293 -1.500 ----- RESID 50 (F): 6.010 ----- -6.029 1.729 4.151 ----- RESID 51 (L): 3.391 ----- -1.619 -2.400 -1.549 ----- RESID 52 (L): 5.728 ----- -5.046 -2.450 -1.591 ----- RESID 53 (S): 3.689 ----- -3.603 -2.983 ----- ----- RESID 54 (L): -0.035 ----- -1.289 -1.866 -2.003 ----- RESID 55 (L): 7.631 ----- -1.691 -1.726 -0.791 ----- RESID 56 (G): 2.458 ----- -0.854 0.198 ----- ----- RESID 57 (N): -0.820 ----- -0.467 -1.386 0.847 ----- RESID 58 (S): -4.534 ----- 3.942 -1.821 0.264 ----- RESID 59 (L): -2.216 ----- -1.735 -1.616 -0.269 ----- RESID 60 (V): 1.151 ----- -3.224 -0.954 -1.832 ----- RESID 61 (M): 0.008 ----- -2.201 -1.992 ----- ----- RESID 62 (L): 4.351 ----- -0.921 -1.882 -1.695 ----- RESID 63 (V): 0.948 ----- ----- -1.710 -1.870 ----- RESID 64 (I): 4.114 ----- -3.556 -0.128 -0.622 ----- RESID 65 (L): 1.478 ----- -4.763 -1.738 -2.238 ----- RESID 66 (Y): 4.953 ----- 1.059 1.148 2.062 ----- RESID 67 (S): 0.788 ----- -0.386 3.276 -1.322 ----- RESID 68 (R): -7.329 ----- -1.860 1.575 ----- ----- RESID 69 (V): 2.862 ----- -0.741 3.647 -0.957 ----- RESID 70 (G): 3.426 ----- 0.155 -2.774 ----- ----- RESID 71 (R): 0.311 ----- 1.187 2.108 0.838 ----- RESID 72 (S): 0.549 ----- -1.323 0.431 ----- ----- RESID 73 (V): 4.116 ----- -0.901 1.913 -1.021 ----- RESID 74 (T): 2.749 ----- 0.692 -0.971 ----- ----- RESID 75 (D): -0.547 ----- -1.499 -1.427 -0.053 ----- RESID 76 (V): 1.673 ----- -1.461 0.452 -1.145 ----- RESID 77 (Y): 3.693 ----- -1.968 -1.510 -1.352 ----- RESID 78 (L): 0.553 ----- -2.790 -2.139 -1.059 ----- RESID 79 (L): 7.239 ----- -3.102 -2.667 -1.242 ----- RESID 80 (N): 3.203 ----- 0.434 0.286 0.438 ----- RESID 81 (L): 2.454 ----- -2.237 -1.601 -2.425 ----- RESID 82 (A): 3.008 ----- -2.303 -1.825 -0.097 ----- RESID 83 (L): 2.800 ----- -2.940 -1.683 -0.935 ----- RESID 84 (A): 2.171 ----- -3.190 -0.885 -1.365 ----- RESID 85 (D): 0.248 ----- -0.051 -0.190 -1.384 ----- RESID 86 (L): 0.902 ----- -4.929 -2.290 -2.558 ----- RESID 87 (L): 2.363 ----- -3.004 -2.237 -1.686 ----- RESID 88 (F): -0.825 ----- -4.117 -4.622 1.884 ----- RESID 89 (A): 3.803 ----- -6.740 -1.599 -1.145 ----- RESID 90 (L): 1.928 ----- -5.409 -1.307 -2.191 ----- RESID 91 (T): 7.125 ----- 0.059 -3.544 0.011 ----- RESID 92 (L): -0.386 ----- -1.483 -3.740 2.033 ----- RESID 94 (I): 4.289 ----- -0.639 -0.618 -1.392 ----- RESID 95 (W): -1.265 ----- -0.694 -2.889 -0.378 ----- RESID 96 (A): 5.362 ----- -0.553 -1.408 2.745 ----- RESID 97 (A): 3.537 ----- -1.386 -1.263 -1.193 ----- RESID 98 (S): -1.834 ----- ----- 2.774 ----- ----- RESID 99 (K): 2.052 ----- -1.343 -1.568 -2.111 ----- RESID 100 (V): 0.107 ----- -1.059 -0.326 -1.842 ----- RESID 101 (N): -0.654 ----- -2.077 -1.767 1.917 ----- RESID 102 (G): 4.261 ----- 1.066 1.258 ----- ----- RESID 103 (W): -0.895 ----- 0.336 2.614 1.045 ----- RESID 104 (I): 6.042 ----- 0.499 0.236 -5.343 ----- RESID 105 (F): 0.897 ----- 2.010 -1.584 0.392 ----- RESID 106 (G): -2.752 ----- 0.932 -2.705 ----- ----- RESID 107 (T): -1.057 ----- -1.595 -1.148 0.342 ----- RESID 108 (F): 0.640 ----- -3.332 -0.576 -1.036 ----- RESID 109 (L): 1.769 ----- -2.456 -2.836 -0.638 ----- RESID 110 (C): 0.866 ----- -1.004 -5.326 13.254 ----- RESID 111 (K): 1.217 ----- -0.495 -1.757 -2.554 ----- RESID 112 (V): 6.287 ----- -3.695 3.995 ----- ----- RESID 113 (V): 6.312 ----- -8.694 1.974 ----- ----- RESID 114 (S): 1.969 ----- -1.169 -1.504 -1.034 ----- RESID 115 (L): -4.756 ----- -4.691 -2.089 -0.791 ----- RESID 116 (L): 8.472 ----- -1.315 -1.350 -1.148 ----- RESID 117 (K): 0.143 ----- -5.663 -2.491 -2.455 ----- RESID 118 (E): 0.294 ----- -1.798 -4.287 -1.359 ----- RESID 119 (V): 8.672 ----- -3.593 -0.371 -2.491 ----- RESID 120 (N): 0.742 ----- -3.451 0.157 1.052 ----- RESID 121 (F): 0.813 ----- -2.475 -2.549 -2.479 ----- RESID 122 (Y): 3.668 ----- -1.879 0.019 -0.576 ----- RESID 123 (S): 7.871 ----- -2.826 -4.168 -2.756 ----- RESID 124 (G): -1.143 ----- -4.806 -4.332 ----- ----- RESID 125 (I): -3.166 ----- -3.138 -1.403 -0.745 ----- RESID 126 (L): 1.905 ----- -5.067 -1.325 ----- ----- RESID 127 (L): 5.595 ----- -2.236 -2.746 0.610 ----- RESID 128 (L): 1.949 ----- -2.142 -1.039 -1.153 ----- RESID 129 (A): 3.327 ----- -3.720 -2.081 -0.737 ----- RESID 130 (C): 3.074 ----- -0.225 -2.377 2.579 ----- RESID 131 (I): -1.681 ----- -4.275 -1.967 -1.690 ----- RESID 132 (S): 1.943 ----- -2.207 2.204 3.626 ----- RESID 133 (V): 6.289 ----- 0.282 1.151 ----- ----- RESID 134 (D): 5.133 ----- -4.667 0.552 -0.223 ----- RESID 135 (R): 4.599 ----- -4.137 -0.075 0.747 ----- RESID 136 (Y): 1.116 ----- -1.805 -1.042 -0.706 ----- RESID 137 (L): 6.757 ----- -5.232 -2.384 0.164 ----- RESID 138 (A): 5.107 ----- -2.283 -1.567 -1.632 ----- RESID 139 (I): 2.387 ----- 0.769 -2.333 -9.296 ----- RESID 140 (V): 4.131 ----- -1.430 1.431 -2.571 ----- RESID 141 (H): -4.476 ----- 3.556 3.274 0.258 ----- RESID 142 (A): -4.209 ----- -2.448 0.497 -1.174 ----- RESID 143 (T): 2.739 ----- 2.488 -1.851 -3.730 ----- RESID 144 (R): ----- ----- ----- 0.273 -1.398 ----- RESID 145 (T): 9.409 ----- 2.931 -0.239 -5.417 ----- RESID 146 (L): 3.643 ----- -2.101 0.933 -1.840 ----- RESID 147 (T): 8.317 ----- 3.732 0.819 -6.801 ----- RESID 148 (Q): 1.220 ----- 0.042 -2.865 0.204 ----- RESID 149 (K): -1.125 ----- -2.529 0.673 ----- ----- RESID 150 (R): 3.170 ----- -0.954 -2.767 1.769 ----- RESID 151 (H): -1.484 ----- 0.466 -0.099 0.175 ----- RESID 152 (L): 0.851 ----- -1.799 -2.127 -1.455 ----- RESID 153 (V): 3.151 ----- -3.585 -4.125 ----- ----- RESID 154 (K): -4.419 ----- -2.929 -0.531 ----- ----- RESID 155 (F): 1.318 ----- -0.326 0.266 ----- ----- RESID 156 (V): 3.543 ----- 0.508 -3.977 2.468 ----- RESID 157 (C): ----- ----- ----- -4.973 ----- ----- RESID 158 (L): 1.389 ----- -3.090 -2.722 ----- ----- RESID 159 (G): -0.345 ----- -0.318 -2.158 ----- ----- RESID 160 (C): -4.393 ----- 4.338 -4.399 2.222 ----- RESID 161 (W): -2.250 ----- -3.646 -5.850 ----- ----- RESID 162 (G): 1.914 ----- -2.622 -2.030 ----- ----- RESID 163 (L): -2.173 ----- -4.987 -1.890 -1.394 ----- RESID 164 (S): 2.053 ----- -2.100 -5.822 2.211 ----- RESID 165 (M): 0.500 ----- -2.669 -0.050 -1.933 ----- RESID 166 (N): 2.271 ----- -0.378 0.297 0.351 ----- RESID 167 (L): 2.685 ----- -0.921 7.957 -5.955 ----- RESID 168 (S): 5.892 ----- -2.460 -3.576 -4.707 ----- RESID 169 (L): -1.061 ----- 1.841 -2.857 -0.045 ----- RESID 171 (F): 0.389 ----- -3.682 1.156 ----- ----- RESID 172 (F): -1.785 ----- -2.335 -1.058 3.184 ----- RESID 173 (L): 1.770 ----- -1.057 -3.132 -5.318 ----- RESID 174 (F): 9.835 ----- 2.159 0.832 0.405 ----- RESID 175 (R): -2.224 ----- 2.118 -0.544 ----- ----- RESID 176 (Q): 5.434 ----- 3.833 -1.558 ----- ----- RESID 177 (A): 4.090 ----- 2.264 2.679 -4.345 ----- RESID 178 (Y): 4.613 ----- -0.452 0.267 1.706 ----- RESID 179 (H): -2.861 ----- 2.358 3.179 0.627 ----- RESID 181 (N): 2.597 ----- -1.944 3.803 -5.208 ----- RESID 182 (N): -6.549 ----- 1.827 0.642 ----- ----- RESID 183 (S): 0.210 ----- 2.962 -2.544 1.284 ----- RESID 184 (S): 1.063 ----- 2.850 -0.642 -1.296 ----- RESID 186 (V): 3.148 ----- 0.562 4.227 -2.969 ----- RESID 187 (C): -8.624 ----- 1.924 -2.705 11.295 ----- RESID 188 (Y): -1.723 ----- 2.762 -0.105 -0.157 ----- RESID 189 (E): 2.416 ----- 0.233 1.481 2.243 ----- RESID 190 (V): 6.746 ----- -4.093 3.021 -3.408 ----- RESID 191 (L): 2.581 ----- ----- -1.112 ----- ----- RESID 192 (G): 4.732 ----- -0.352 0.479 ----- ----- RESID 193 (N): -0.972 ----- ----- -3.093 0.794 ----- RESID 194 (D): 4.906 ----- -3.737 -1.167 -0.344 ----- RESID 195 (T): 6.619 ----- 0.455 -1.958 ----- ----- RESID 196 (A): -0.151 ----- -5.163 -0.622 -1.564 ----- RESID 197 (K): 8.061 ----- 0.037 2.976 -3.095 ----- RESID 198 (W): 3.253 ----- 0.822 1.974 3.922 ----- RESID 199 (R): 4.175 ----- -0.203 -3.148 1.374 ----- RESID 200 (M): -0.730 ----- -2.522 -1.092 -1.414 ----- RESID 201 (V): 6.412 ----- -2.691 0.154 -1.607 ----- RESID 202 (L): 2.566 ----- -5.212 -3.908 ----- ----- RESID 203 (R): 5.117 ----- -2.237 -2.691 2.280 ----- RESID 204 (I): 1.333 ----- -2.542 0.430 -1.185 ----- RESID 205 (L): 1.947 ----- 0.340 -5.215 ----- ----- RESID 206 (P): ----- ----- ----- -3.369 ----- ----- RESID 207 (H): -5.072 ----- -2.390 -7.340 -0.767 ----- RESID 208 (T): 5.217 ----- 1.574 -3.884 ----- ----- RESID 209 (F): -3.821 ----- -1.765 -0.330 ----- ----- RESID 210 (G): 5.062 ----- -0.143 -1.246 ----- ----- RESID 211 (F): 2.143 ----- -2.227 -4.781 ----- ----- RESID 212 (I): -0.330 ----- -1.743 0.001 -0.708 ----- RESID 213 (V): 3.479 ----- 0.488 -2.767 1.001 ----- RESID 215 (L): 5.942 ----- -1.797 -2.328 -1.822 ----- RESID 216 (F): 6.180 ----- 1.945 0.121 -1.081 ----- RESID 217 (V): -1.554 ----- -2.126 0.412 -0.627 ----- RESID 218 (M): -0.224 ----- -3.783 -4.468 0.084 ----- RESID 219 (L): 1.581 ----- -1.720 -2.541 -0.146 ----- RESID 220 (F): 5.714 ----- -2.324 0.979 ----- ----- RESID 221 (C): -1.143 ----- -1.246 -0.735 ----- ----- RESID 222 (Y): 0.042 ----- -0.360 -2.600 -0.306 ----- RESID 223 (G): 3.886 ----- -1.326 -5.273 ----- ----- RESID 224 (F): -0.540 ----- -1.943 1.122 -2.552 ----- RESID 225 (T): 3.567 ----- -2.090 -1.556 ----- ----- RESID 226 (L): 0.900 ----- -1.382 -0.866 -1.283 ----- RESID 227 (R): 2.054 ----- -0.246 -4.012 -1.306 ----- RESID 228 (T): 6.345 ----- 2.039 0.608 -3.858 ----- RESID 229 (L): 1.284 ----- 1.369 2.041 1.135 ----- RESID 230 (F): -2.991 ----- 0.361 -2.435 2.204 ----- RESID 231 (K): 2.613 ----- -0.997 -0.139 -1.445 ----- RESID 232 (A): -1.225 ----- 0.236 0.866 3.265 ----- RESID 233 (H): 3.893 ----- 2.883 2.719 -0.124 ----- RESID 234 (M): 0.689 ----- 0.207 2.596 -0.385 ----- RESID 235 (G): -0.891 ----- -1.557 -2.780 ----- ----- RESID 236 (Q): -3.547 ----- -3.396 -1.703 -2.576 ----- RESID 237 (K): 2.857 ----- 1.184 -2.707 -1.313 ----- RESID 238 (H): 10.281 ----- 0.202 -2.248 -2.241 ----- RESID 239 (R): 0.728 ----- -1.230 -3.313 2.685 ----- RESID 240 (A): -1.081 ----- -3.117 -2.364 -1.261 ----- RESID 241 (M): 2.023 ----- -2.559 -0.768 -0.566 ----- RESID 242 (R): 1.877 ----- -1.363 -3.212 0.714 ----- RESID 243 (V): -0.541 ----- -2.013 0.010 -2.401 ----- RESID 244 (I): 1.642 ----- -1.717 -0.892 -0.435 ----- RESID 245 (F): -3.285 ----- -1.563 -0.995 0.702 ----- RESID 246 (A): -0.295 ----- -1.447 -2.158 -0.973 ----- RESID 247 (V): 4.378 ----- -1.753 1.462 -0.924 ----- RESID 248 (V): 4.011 ----- -0.035 -0.729 -1.017 ----- RESID 249 (L): -1.692 ----- -2.299 -1.417 -0.473 ----- RESID 250 (I): 1.917 ----- -1.174 -1.092 -0.093 ----- RESID 251 (F): 8.189 ----- -2.140 1.246 ----- ----- RESID 252 (L): -1.055 ----- -1.839 -0.328 -0.306 ----- RESID 253 (L): 0.260 ----- -0.222 -2.305 -1.984 ----- RESID 254 (C): 6.048 ----- 0.462 -1.915 -0.990 ----- RESID 255 (W): -1.224 ----- 1.481 -1.473 -0.028 ----- RESID 256 (L): 1.293 ----- 1.723 -3.512 1.214 ----- RESID 258 (Y): 5.014 ----- 1.855 -2.850 4.544 ----- RESID 259 (N): 5.065 ----- -4.188 -1.194 0.431 ----- RESID 260 (L): 0.991 ----- -3.319 -2.236 -2.726 ----- RESID 261 (V): -0.332 ----- -2.379 -1.187 -2.176 ----- RESID 262 (L): 1.211 ----- -2.013 -2.587 -1.205 ----- RESID 263 (L): 4.793 ----- -2.831 -2.278 -0.474 ----- RESID 264 (A): 0.736 ----- -4.482 -2.303 -2.047 ----- RESID 265 (D): 7.028 ----- -7.804 -0.938 ----- ----- RESID 266 (T): 3.742 ----- -0.456 -6.151 ----- ----- RESID 267 (L): 2.165 ----- -1.492 -0.367 -2.258 ----- RESID 268 (M): 2.910 ----- 1.182 3.306 -0.323 ----- RESID 269 (R): -4.284 ----- -1.683 -0.644 1.394 ----- RESID 270 (T): 10.943 ----- 1.748 0.571 ----- ----- RESID 271 (Q): 2.011 ----- 0.700 2.452 ----- ----- RESID 272 (V): 4.760 ----- 0.365 0.390 4.773 ----- RESID 273 (I): 0.039 ----- 1.822 3.128 -2.880 ----- RESID 274 (Q): 1.143 ----- 1.065 -0.381 ----- ----- RESID 275 (E): 8.893 ----- 1.954 -0.033 -0.674 ----- RESID 276 (S): -3.581 ----- ----- 0.232 0.380 ----- RESID 277 (C): -3.980 ----- -1.773 -8.034 -0.745 ----- RESID 278 (E): 2.053 ----- -3.818 -0.895 0.229 ----- RESID 279 (R): 2.871 ----- -1.805 -2.614 0.021 ----- RESID 280 (R): 6.803 ----- -1.526 -2.861 -1.611 ----- RESID 281 (N): 4.127 ----- -2.191 -3.290 0.245 ----- RESID 282 (N): 2.714 ----- -1.581 -0.394 0.481 ----- RESID 283 (I): 7.458 ----- -1.386 1.854 -0.803 ----- RESID 284 (G): 3.249 ----- 0.494 -4.125 ----- ----- RESID 286 (A): 0.955 ----- -0.382 -0.647 -2.091 ----- RESID 287 (L): 6.388 ----- -2.063 -1.872 -0.866 ----- RESID 288 (D): -1.560 ----- -1.634 -0.589 ----- ----- RESID 289 (A): 2.376 ----- -2.238 -2.168 -1.937 ----- RESID 290 (T): 0.796 ----- 0.540 -2.267 ----- ----- RESID 291 (E): -1.515 ----- -1.781 -1.855 -0.163 ----- RESID 292 (I): 3.494 ----- -2.484 -0.079 -0.919 ----- RESID 293 (L): 1.622 ----- -3.904 -2.199 -1.720 ----- RESID 294 (G): 1.905 ----- -2.093 -1.824 ----- ----- RESID 295 (F): -0.556 ----- 0.788 -0.344 ----- ----- RESID 296 (L): 2.351 ----- -2.004 0.273 0.797 ----- RESID 297 (H): 7.187 ----- 0.924 0.903 0.451 ----- RESID 298 (S): 9.874 ----- 3.037 4.827 -0.138 ----- RESID 299 (C): 2.807 ----- 1.977 -0.820 -2.994 ----- RESID 300 (L): -0.412 ----- 1.421 -2.925 -1.107 ----- RESID 301 (N): -0.364 ----- 2.356 -4.643 0.060 ----- RESID 302 (P): ----- ----- ----- -6.873 ----- ----- RESID 303 (I): 1.416 ----- -4.586 1.142 -1.307 ----- RESID 304 (I): 0.733 ----- -2.286 1.712 -0.544 ----- RESID 305 (Y): 0.291 ----- -2.730 -5.729 0.212 ----- RESID 306 (A): 2.129 ----- -7.124 -0.094 -1.670 ----- RESID 307 (F): 2.731 ----- -1.872 -1.293 1.257 ----- RESID 308 (I): 2.879 ----- 0.016 0.852 -1.347 ----- RESID 309 (G): 4.753 ----- 0.513 -3.595 ----- ----- RESID 310 (Q): 2.976 ----- -0.310 1.356 1.670 ----- RESID 311 (N): 1.081 ----- -1.082 0.688 0.858 ----- RESID 312 (F): 1.809 ----- -2.179 -2.758 -2.151 ----- RESID 313 (R): 3.145 ----- -3.459 -3.607 -0.624 ----- RESID 314 (H): 6.933 ----- -0.883 0.538 0.491 ----- RESID 315 (G): 0.945 ----- -1.726 0.311 ----- ----- RESID 316 (F): 3.094 ----- -1.261 -2.969 ----- ----- RESID 317 (L): 1.487 ----- -1.842 -1.879 -1.750 ----- RESID 318 (K): 2.403 ----- -1.853 -3.567 -2.013 ----- RESID 319 (I): 1.177 ----- -2.130 1.482 -1.464 ----- RESID 320 (L): 2.240 ----- -1.780 -1.420 -1.833 ----- RESID 321 (A): 2.132 ----- -1.864 0.621 -1.082 ----- RESID 322 (M): 5.294 ----- -4.358 -0.804 ----- ----- RESID 323 (H): 4.570 ----- -2.463 -1.155 0.794 ----- DATA CS_STAT_INFO N RMS: 3.832 ppm Count: 283 Average Difference: -1.969 +/- 3.293 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 2.623 ppm Count: 278 Average Difference: 1.382 +/- 2.233 ppm DATA CS_STAT_INFO CA RMS: 2.479 ppm Count: 287 Average Difference: 1.088 +/- 2.231 ppm DATA CS_STAT_INFO CB RMS: 2.500 ppm Count: 226 Average Difference: 0.522 +/- 2.450 ppm DATA CS_STAT_INFO HN RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm