data_17914 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17914 _Entry.PDB_ID 2LJ2 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17914 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY N N 14 108.800 108.800 109.930 -1.130 17914 2 1 1 . 1 1 2 2 GLY C C 14 174.100 174.100 176.090 -1.990 17914 3 1 1 . 1 1 2 2 GLY CA C 14 44.790 44.790 47.859 -3.069 17914 4 1 1 . 1 1 3 3 THR N N 15 110.500 110.500 117.021 -6.521 17914 5 1 1 . 1 1 3 3 THR C C 15 176.200 176.200 176.011 0.189 17914 6 1 1 . 1 1 3 3 THR CA C 15 60.370 60.370 67.002 -6.632 17914 7 1 1 . 1 1 4 4 THR N N 16 110.400 110.400 118.472 -8.072 17914 8 1 1 . 1 1 4 4 THR CA C 16 62.400 62.400 66.262 -3.862 17914 9 1 1 . 1 1 5 5 LEU N N 17 120.600 120.600 122.037 -1.437 17914 10 1 1 . 1 1 5 5 LEU C C 17 173.400 173.400 178.502 -5.102 17914 11 1 1 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.493 -2.133 17914 12 1 1 . 1 1 6 6 VAL N N 18 115.800 115.800 119.086 -3.286 17914 13 1 1 . 1 1 6 6 VAL CA C 18 63.000 63.000 66.673 -3.673 17914 14 1 1 . 1 1 7 7 ALA N N 19 124.100 124.100 122.189 1.911 17914 15 1 1 . 1 1 7 7 ALA C C 19 172.500 172.500 179.093 -6.593 17914 16 1 1 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.829 -1.919 17914 17 1 1 . 1 1 9 9 SER N N 21 113.000 113.000 114.428 -1.428 17914 18 1 1 . 1 1 9 9 SER C C 21 176.900 176.900 176.934 -0.034 17914 19 1 1 . 1 1 9 9 SER CA C 21 58.730 58.730 60.877 -2.147 17914 20 1 1 . 1 1 10 10 SER N N 22 114.700 114.700 118.536 -3.836 17914 21 1 1 . 1 1 10 10 SER C C 22 175.900 175.900 176.387 -0.487 17914 22 1 1 . 1 1 10 10 SER CA C 22 56.040 56.040 61.111 -5.071 17914 23 1 1 . 1 1 11 11 PHE N N 23 117.400 117.400 121.171 -3.771 17914 24 1 1 . 1 1 11 11 PHE C C 23 174.000 174.000 176.804 -2.804 17914 25 1 1 . 1 1 11 11 PHE CA C 23 55.850 55.850 59.849 -3.999 17914 26 1 1 . 1 1 12 12 THR N N 24 115.600 115.600 116.730 -1.130 17914 27 1 1 . 1 1 12 12 THR C C 24 175.800 175.800 173.871 1.929 17914 28 1 1 . 1 1 12 12 THR CA C 24 64.650 64.650 68.855 -4.205 17914 29 1 1 . 1 1 14 14 VAL N N 26 113.300 113.300 117.682 -4.382 17914 30 1 1 . 1 1 14 14 VAL C C 26 173.900 173.900 178.445 -4.545 17914 31 1 1 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.614 -2.424 17914 32 1 1 . 1 1 15 15 LEU N N 27 118.900 118.900 122.214 -3.314 17914 33 1 1 . 1 1 15 15 LEU C C 27 174.400 174.400 178.557 -4.157 17914 34 1 1 . 1 1 15 15 LEU CA C 27 55.680 55.680 57.964 -2.284 17914 35 1 1 . 1 1 16 16 VAL N N 28 114.200 114.200 119.640 -5.440 17914 36 1 1 . 1 1 16 16 VAL C C 28 177.100 177.100 178.072 -0.972 17914 37 1 1 . 1 1 16 16 VAL CA C 28 64.900 64.900 66.984 -2.084 17914 38 1 1 . 1 1 17 17 ILE N N 29 118.400 118.400 119.594 -1.194 17914 39 1 1 . 1 1 17 17 ILE C C 29 173.900 173.900 177.245 -3.345 17914 40 1 1 . 1 1 17 17 ILE CA C 29 63.300 63.300 64.278 -0.978 17914 41 1 1 . 1 1 18 18 LEU N N 30 118.800 118.800 121.375 -2.575 17914 42 1 1 . 1 1 18 18 LEU C C 30 173.700 173.700 178.948 -5.248 17914 43 1 1 . 1 1 18 18 LEU CA C 30 56.750 56.750 58.094 -1.344 17914 44 1 1 . 1 1 19 19 LEU N N 31 118.600 118.600 118.132 0.468 17914 45 1 1 . 1 1 19 19 LEU C C 31 173.500 173.500 179.254 -5.754 17914 46 1 1 . 1 1 19 19 LEU CA C 31 54.580 54.580 57.834 -3.253 17914 47 1 1 . 1 1 20 20 GLY N N 32 108.100 108.100 107.555 0.545 17914 48 1 1 . 1 1 20 20 GLY C C 32 173.800 173.800 176.301 -2.501 17914 49 1 1 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.389 -2.129 17914 50 1 1 . 1 1 21 21 VAL N N 33 121.100 121.100 122.616 -1.516 17914 51 1 1 . 1 1 21 21 VAL C C 33 175.400 175.400 177.972 -2.572 17914 52 1 1 . 1 1 21 21 VAL CA C 33 65.000 65.000 66.238 -1.238 17914 53 1 1 . 1 1 22 22 VAL N N 34 121.900 121.900 119.040 2.860 17914 54 1 1 . 1 1 22 22 VAL C C 34 174.600 174.600 178.295 -3.695 17914 55 1 1 . 1 1 22 22 VAL CA C 34 65.330 65.330 65.743 -0.413 17914 56 1 1 . 1 1 23 23 GLY N N 35 108.000 108.000 107.969 0.031 17914 57 1 1 . 1 1 23 23 GLY C C 35 173.800 173.800 176.662 -2.862 17914 58 1 1 . 1 1 23 23 GLY CA C 35 45.260 45.260 47.150 -1.889 17914 59 1 1 . 1 1 24 24 LEU N N 36 120.300 120.300 122.011 -1.711 17914 60 1 1 . 1 1 24 24 LEU C C 36 176.000 176.000 179.314 -3.314 17914 61 1 1 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.541 -1.540 17914 62 1 1 . 1 1 25 25 SER N N 37 117.300 117.300 114.506 2.794 17914 63 1 1 . 1 1 25 25 SER C C 37 177.300 177.300 176.496 0.804 17914 64 1 1 . 1 1 25 25 SER CA C 37 59.640 59.640 61.176 -1.536 17914 65 1 1 . 1 1 26 26 ALA N N 38 125.400 125.400 125.736 -0.336 17914 66 1 1 . 1 1 26 26 ALA C C 38 173.000 173.000 179.467 -6.467 17914 67 1 1 . 1 1 26 26 ALA CA C 38 53.130 53.130 54.956 -1.826 17914 68 1 1 . 1 1 27 27 LEU N N 39 117.400 117.400 115.416 1.984 17914 69 1 1 . 1 1 27 27 LEU C C 39 178.100 178.100 178.055 0.045 17914 70 1 1 . 1 1 27 27 LEU CA C 39 55.300 55.300 56.780 -1.480 17914 71 1 1 . 1 1 28 28 THR N N 40 103.800 103.800 111.451 -7.651 17914 72 1 1 . 1 1 28 28 THR C C 40 173.100 173.100 174.899 -1.799 17914 73 1 1 . 1 1 28 28 THR CA C 40 59.700 59.700 62.631 -2.931 17914 74 1 1 . 1 1 29 29 GLY N N 41 109.800 109.800 110.144 -0.344 17914 75 1 1 . 1 1 29 29 GLY C C 41 172.600 172.600 173.308 -0.708 17914 76 1 1 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.512 0.948 17914 77 1 1 . 1 1 30 30 TYR N N 42 118.700 118.700 122.062 -3.362 17914 78 1 1 . 1 1 30 30 TYR C C 42 172.800 172.800 177.322 -4.522 17914 79 1 1 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.698 -2.098 17914 80 1 1 . 1 1 31 31 LEU N N 43 120.900 120.900 124.825 -3.925 17914 81 1 1 . 1 1 31 31 LEU C C 43 173.600 173.600 177.721 -4.121 17914 82 1 1 . 1 1 31 31 LEU CA C 43 55.750 55.750 57.792 -2.042 17914 83 1 1 . 1 1 32 32 ASP N N 44 116.400 116.400 117.907 -1.507 17914 84 1 1 . 1 1 32 32 ASP C C 44 181.400 181.400 178.453 2.947 17914 85 1 1 . 1 1 32 32 ASP CA C 44 54.400 54.400 56.007 -1.607 17914 86 1 1 . 1 1 33 33 TYR N N 45 116.900 116.900 119.960 -3.060 17914 87 1 1 . 1 1 33 33 TYR C C 45 174.100 174.100 175.926 -1.826 17914 88 1 1 . 1 1 33 33 TYR CA C 45 55.800 55.800 59.448 -3.648 17914 89 1 1 . 1 1 34 34 VAL N N 46 114.700 114.700 118.755 -4.055 17914 90 1 1 . 1 1 34 34 VAL C C 46 175.800 175.800 175.414 0.386 17914 91 1 1 . 1 1 34 34 VAL CA C 46 60.390 60.390 62.230 -1.840 17914 92 1 1 . 1 1 35 35 LEU N N 47 120.200 120.200 120.461 -0.261 17914 93 1 1 . 1 1 35 35 LEU C C 47 175.800 175.800 177.397 -1.597 17914 94 1 1 . 1 1 35 35 LEU CA C 47 56.350 56.350 57.453 -1.103 17914 95 1 1 . 1 1 36 36 LEU N N 48 116.300 116.300 120.171 -3.871 17914 96 1 1 . 1 1 36 36 LEU C C 48 176.700 176.700 176.532 0.168 17914 97 1 1 . 1 1 36 36 LEU CA C 48 57.160 57.160 58.777 -1.617 17914 98 1 1 . 1 1 38 38 ALA N N 50 116.400 116.400 121.387 -4.987 17914 99 1 1 . 1 1 38 38 ALA C C 50 181.300 181.300 179.769 1.531 17914 100 1 1 . 1 1 38 38 ALA CA C 50 54.670 54.670 54.567 0.103 17914 101 1 1 . 1 1 39 39 LEU N N 51 117.300 117.300 119.673 -2.373 17914 102 1 1 . 1 1 39 39 LEU C C 51 175.500 175.500 178.006 -2.506 17914 103 1 1 . 1 1 39 39 LEU CA C 51 55.870 55.870 56.610 -0.740 17914 104 1 1 . 1 1 40 40 ALA N N 52 120.300 120.300 120.925 -0.625 17914 105 1 1 . 1 1 40 40 ALA C C 52 174.300 174.300 179.460 -5.160 17914 106 1 1 . 1 1 40 40 ALA CA C 52 53.860 53.860 54.939 -1.079 17914 107 1 1 . 1 1 41 41 ILE N N 53 117.500 117.500 115.370 2.130 17914 108 1 1 . 1 1 41 41 ILE C C 53 175.000 175.000 177.093 -2.093 17914 109 1 1 . 1 1 41 41 ILE CA C 53 64.650 64.650 64.227 0.423 17914 110 1 1 . 1 1 42 42 PHE N N 54 119.100 119.100 121.314 -2.214 17914 111 1 1 . 1 1 42 42 PHE C C 54 178.700 178.700 177.212 1.488 17914 112 1 1 . 1 1 42 42 PHE CA C 54 59.800 59.800 62.072 -2.272 17914 113 1 1 . 1 1 43 43 ILE N N 55 120.900 120.900 118.592 2.308 17914 114 1 1 . 1 1 43 43 ILE C C 55 173.300 173.300 178.483 -5.183 17914 115 1 1 . 1 1 43 43 ILE CA C 55 63.460 63.460 62.780 0.680 17914 116 1 1 . 1 1 44 44 GLY N N 56 109.200 109.200 108.075 1.125 17914 117 1 1 . 1 1 44 44 GLY C C 56 172.700 172.700 176.512 -3.812 17914 118 1 1 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.151 -1.251 17914 119 1 1 . 1 1 45 45 LEU N N 57 120.100 120.100 121.224 -1.124 17914 120 1 1 . 1 1 45 45 LEU C C 57 176.000 176.000 178.751 -2.751 17914 121 1 1 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.118 -0.898 17914 122 1 1 . 1 1 46 46 THR N N 58 116.700 116.700 116.254 0.446 17914 123 1 1 . 1 1 46 46 THR C C 58 175.000 175.000 177.251 -2.251 17914 124 1 1 . 1 1 46 46 THR CA C 58 64.610 64.610 66.393 -1.783 17914 125 1 1 . 1 1 47 47 ILE N N 59 120.500 120.500 121.618 -1.118 17914 126 1 1 . 1 1 47 47 ILE C C 59 175.300 175.300 177.341 -2.041 17914 127 1 1 . 1 1 47 47 ILE CA C 59 65.200 65.200 64.572 0.628 17914 128 1 1 . 1 1 48 48 TYR N N 60 120.100 120.100 120.514 -0.414 17914 129 1 1 . 1 1 48 48 TYR C C 60 175.200 175.200 176.769 -1.569 17914 130 1 1 . 1 1 48 48 TYR CA C 60 59.300 59.300 60.842 -1.542 17914 131 1 1 . 1 1 49 49 ALA N N 61 122.500 122.500 122.117 0.383 17914 132 1 1 . 1 1 49 49 ALA C C 61 177.500 177.500 179.781 -2.281 17914 133 1 1 . 1 1 49 49 ALA CA C 61 53.220 53.220 55.264 -2.044 17914 134 1 1 . 1 1 50 50 ILE N N 62 118.500 118.500 117.555 0.945 17914 135 1 1 . 1 1 50 50 ILE C C 62 173.500 173.500 177.739 -4.239 17914 136 1 1 . 1 1 50 50 ILE CA C 62 64.110 64.110 62.496 1.614 17914 137 1 1 . 1 1 51 51 GLN N N 63 119.700 119.700 120.596 -0.896 17914 138 1 1 . 1 1 51 51 GLN C C 63 176.100 176.100 177.789 -1.689 17914 139 1 1 . 1 1 51 51 GLN CA C 63 56.500 56.500 59.452 -2.951 17914 140 1 1 . 1 1 52 52 ARG N N 64 118.900 118.900 119.240 -0.340 17914 141 1 1 . 1 1 52 52 ARG C C 64 176.200 176.200 178.746 -2.546 17914 142 1 1 . 1 1 52 52 ARG CA C 64 56.840 56.840 59.207 -2.367 17914 143 1 1 . 1 1 53 53 LYS N N 65 120.200 120.200 118.376 1.824 17914 144 1 1 . 1 1 53 53 LYS C C 65 176.100 176.100 178.641 -2.541 17914 145 1 1 . 1 1 53 53 LYS CA C 65 56.100 56.100 58.708 -2.608 17914 146 1 1 . 1 1 54 54 ARG N N 66 118.500 118.500 119.896 -1.396 17914 147 1 1 . 1 1 54 54 ARG C C 66 173.600 173.600 178.344 -4.744 17914 148 1 1 . 1 1 54 54 ARG CA C 66 57.500 57.500 58.225 -0.725 17914 149 1 1 . 1 1 55 55 GLN N N 67 117.900 117.900 118.597 -0.697 17914 150 1 1 . 1 1 55 55 GLN C C 67 177.500 177.500 176.137 1.363 17914 151 1 1 . 1 1 55 55 GLN CA C 67 55.600 55.600 57.260 -1.660 17914 152 1 1 . 1 1 56 56 ALA C C 68 51.630 51.630 177.011 -125.381 17914 153 1 1 . 1 1 56 56 ALA CA C 68 123.900 123.900 52.613 71.287 17914 154 1 1 . 1 1 57 57 ASP N N 69 105.000 105.000 117.525 -12.525 17914 155 1 1 . 1 1 57 57 ASP C C 69 53.960 53.960 176.795 -122.835 17914 156 1 1 . 1 1 57 57 ASP CA C 69 118.900 118.900 56.771 62.129 17914 157 1 1 . 1 1 58 58 ALA N N 70 125.500 125.500 121.030 4.470 17914 158 1 1 . 1 1 58 58 ALA C C 70 175.600 175.600 179.048 -3.448 17914 159 1 1 . 1 1 58 58 ALA CA C 70 50.600 50.600 53.057 -2.458 17914 160 1 1 . 1 1 59 59 SER N N 71 113.800 113.800 118.616 -4.816 17914 161 1 1 . 1 1 59 59 SER C C 71 175.900 175.900 175.058 0.842 17914 162 1 1 . 1 1 59 59 SER CA C 71 56.170 56.170 59.977 -3.807 17914 163 1 2 . 1 1 2 2 GLY N N 14 108.800 108.800 108.833 -0.033 17914 164 1 2 . 1 1 2 2 GLY C C 14 174.100 174.100 175.197 -1.097 17914 165 1 2 . 1 1 2 2 GLY CA C 14 44.790 44.790 47.874 -3.084 17914 166 1 2 . 1 1 3 3 THR N N 15 110.500 110.500 113.922 -3.422 17914 167 1 2 . 1 1 3 3 THR C C 15 176.200 176.200 176.296 -0.096 17914 168 1 2 . 1 1 3 3 THR CA C 15 60.370 60.370 66.216 -5.846 17914 169 1 2 . 1 1 4 4 THR N N 16 110.400 110.400 115.985 -5.585 17914 170 1 2 . 1 1 4 4 THR CA C 16 62.400 62.400 65.394 -2.994 17914 171 1 2 . 1 1 5 5 LEU N N 17 120.600 120.600 121.446 -0.846 17914 172 1 2 . 1 1 5 5 LEU C C 17 173.400 173.400 178.868 -5.468 17914 173 1 2 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.783 -2.423 17914 174 1 2 . 1 1 6 6 VAL N N 18 115.800 115.800 119.903 -4.103 17914 175 1 2 . 1 1 6 6 VAL CA C 18 63.000 63.000 67.056 -4.056 17914 176 1 2 . 1 1 7 7 ALA N N 19 124.100 124.100 121.786 2.314 17914 177 1 2 . 1 1 7 7 ALA C C 19 172.500 172.500 179.529 -7.029 17914 178 1 2 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.536 -1.626 17914 179 1 2 . 1 1 9 9 SER N N 21 113.000 113.000 114.605 -1.605 17914 180 1 2 . 1 1 9 9 SER C C 21 176.900 176.900 176.822 0.078 17914 181 1 2 . 1 1 9 9 SER CA C 21 58.730 58.730 61.493 -2.763 17914 182 1 2 . 1 1 10 10 SER N N 22 114.700 114.700 118.730 -4.030 17914 183 1 2 . 1 1 10 10 SER C C 22 175.900 175.900 175.876 0.024 17914 184 1 2 . 1 1 10 10 SER CA C 22 56.040 56.040 61.744 -5.704 17914 185 1 2 . 1 1 11 11 PHE N N 23 117.400 117.400 119.545 -2.145 17914 186 1 2 . 1 1 11 11 PHE C C 23 174.000 174.000 176.648 -2.648 17914 187 1 2 . 1 1 11 11 PHE CA C 23 55.850 55.850 59.867 -4.017 17914 188 1 2 . 1 1 12 12 THR N N 24 115.600 115.600 114.562 1.038 17914 189 1 2 . 1 1 12 12 THR C C 24 175.800 175.800 174.269 1.531 17914 190 1 2 . 1 1 12 12 THR CA C 24 64.650 64.650 67.635 -2.985 17914 191 1 2 . 1 1 14 14 VAL N N 26 113.300 113.300 114.996 -1.696 17914 192 1 2 . 1 1 14 14 VAL C C 26 173.900 173.900 177.943 -4.043 17914 193 1 2 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.311 -2.121 17914 194 1 2 . 1 1 15 15 LEU N N 27 118.900 118.900 122.106 -3.206 17914 195 1 2 . 1 1 15 15 LEU C C 27 174.400 174.400 179.291 -4.891 17914 196 1 2 . 1 1 15 15 LEU CA C 27 55.680 55.680 57.888 -2.208 17914 197 1 2 . 1 1 16 16 VAL N N 28 114.200 114.200 120.172 -5.972 17914 198 1 2 . 1 1 16 16 VAL C C 28 177.100 177.100 178.341 -1.241 17914 199 1 2 . 1 1 16 16 VAL CA C 28 64.900 64.900 67.136 -2.236 17914 200 1 2 . 1 1 17 17 ILE N N 29 118.400 118.400 119.073 -0.673 17914 201 1 2 . 1 1 17 17 ILE C C 29 173.900 173.900 177.846 -3.946 17914 202 1 2 . 1 1 17 17 ILE CA C 29 63.300 63.300 65.032 -1.732 17914 203 1 2 . 1 1 18 18 LEU N N 30 118.800 118.800 120.961 -2.161 17914 204 1 2 . 1 1 18 18 LEU C C 30 173.700 173.700 178.562 -4.862 17914 205 1 2 . 1 1 18 18 LEU CA C 30 56.750 56.750 58.139 -1.389 17914 206 1 2 . 1 1 19 19 LEU N N 31 118.600 118.600 117.431 1.169 17914 207 1 2 . 1 1 19 19 LEU C C 31 173.500 173.500 179.124 -5.624 17914 208 1 2 . 1 1 19 19 LEU CA C 31 54.580 54.580 57.515 -2.935 17914 209 1 2 . 1 1 20 20 GLY N N 32 108.100 108.100 107.735 0.365 17914 210 1 2 . 1 1 20 20 GLY C C 32 173.800 173.800 176.124 -2.324 17914 211 1 2 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.299 -2.039 17914 212 1 2 . 1 1 21 21 VAL N N 33 121.100 121.100 121.616 -0.516 17914 213 1 2 . 1 1 21 21 VAL C C 33 175.400 175.400 177.847 -2.447 17914 214 1 2 . 1 1 21 21 VAL CA C 33 65.000 65.000 65.030 -0.030 17914 215 1 2 . 1 1 22 22 VAL N N 34 121.900 121.900 118.255 3.645 17914 216 1 2 . 1 1 22 22 VAL C C 34 174.600 174.600 177.708 -3.108 17914 217 1 2 . 1 1 22 22 VAL CA C 34 65.330 65.330 65.884 -0.554 17914 218 1 2 . 1 1 23 23 GLY N N 35 108.000 108.000 107.908 0.092 17914 219 1 2 . 1 1 23 23 GLY C C 35 173.800 173.800 176.525 -2.725 17914 220 1 2 . 1 1 23 23 GLY CA C 35 45.260 45.260 47.044 -1.784 17914 221 1 2 . 1 1 24 24 LEU N N 36 120.300 120.300 121.905 -1.605 17914 222 1 2 . 1 1 24 24 LEU C C 36 176.000 176.000 178.685 -2.685 17914 223 1 2 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.355 -1.355 17914 224 1 2 . 1 1 25 25 SER N N 37 117.300 117.300 114.313 2.987 17914 225 1 2 . 1 1 25 25 SER C C 37 177.300 177.300 176.464 0.836 17914 226 1 2 . 1 1 25 25 SER CA C 37 59.640 59.640 61.074 -1.434 17914 227 1 2 . 1 1 26 26 ALA N N 38 125.400 125.400 125.215 0.185 17914 228 1 2 . 1 1 26 26 ALA C C 38 173.000 173.000 179.468 -6.468 17914 229 1 2 . 1 1 26 26 ALA CA C 38 53.130 53.130 54.900 -1.770 17914 230 1 2 . 1 1 27 27 LEU N N 39 117.400 117.400 117.191 0.209 17914 231 1 2 . 1 1 27 27 LEU C C 39 178.100 178.100 177.593 0.507 17914 232 1 2 . 1 1 27 27 LEU CA C 39 55.300 55.300 56.856 -1.556 17914 233 1 2 . 1 1 28 28 THR N N 40 103.800 103.800 112.918 -9.118 17914 234 1 2 . 1 1 28 28 THR C C 40 173.100 173.100 174.964 -1.864 17914 235 1 2 . 1 1 28 28 THR CA C 40 59.700 59.700 62.703 -3.003 17914 236 1 2 . 1 1 29 29 GLY N N 41 109.800 109.800 110.108 -0.308 17914 237 1 2 . 1 1 29 29 GLY C C 41 172.600 172.600 173.258 -0.658 17914 238 1 2 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.504 0.956 17914 239 1 2 . 1 1 30 30 TYR N N 42 118.700 118.700 122.142 -3.442 17914 240 1 2 . 1 1 30 30 TYR C C 42 172.800 172.800 177.336 -4.536 17914 241 1 2 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.758 -2.158 17914 242 1 2 . 1 1 31 31 LEU N N 43 120.900 120.900 124.330 -3.430 17914 243 1 2 . 1 1 31 31 LEU C C 43 173.600 173.600 177.063 -3.463 17914 244 1 2 . 1 1 31 31 LEU CA C 43 55.750 55.750 57.843 -2.093 17914 245 1 2 . 1 1 32 32 ASP N N 44 116.400 116.400 116.551 -0.151 17914 246 1 2 . 1 1 32 32 ASP C C 44 181.400 181.400 178.095 3.305 17914 247 1 2 . 1 1 32 32 ASP CA C 44 54.400 54.400 56.234 -1.834 17914 248 1 2 . 1 1 33 33 TYR N N 45 116.900 116.900 120.501 -3.601 17914 249 1 2 . 1 1 33 33 TYR C C 45 174.100 174.100 175.832 -1.732 17914 250 1 2 . 1 1 33 33 TYR CA C 45 55.800 55.800 59.380 -3.580 17914 251 1 2 . 1 1 34 34 VAL N N 46 114.700 114.700 118.803 -4.103 17914 252 1 2 . 1 1 34 34 VAL C C 46 175.800 175.800 175.569 0.231 17914 253 1 2 . 1 1 34 34 VAL CA C 46 60.390 60.390 62.077 -1.687 17914 254 1 2 . 1 1 35 35 LEU N N 47 120.200 120.200 120.338 -0.138 17914 255 1 2 . 1 1 35 35 LEU C C 47 175.800 175.800 178.235 -2.435 17914 256 1 2 . 1 1 35 35 LEU CA C 47 56.350 56.350 57.541 -1.191 17914 257 1 2 . 1 1 36 36 LEU N N 48 116.300 116.300 120.454 -4.154 17914 258 1 2 . 1 1 36 36 LEU C C 48 176.700 176.700 176.972 -0.272 17914 259 1 2 . 1 1 36 36 LEU CA C 48 57.160 57.160 58.092 -0.932 17914 260 1 2 . 1 1 38 38 ALA N N 50 116.400 116.400 121.337 -4.937 17914 261 1 2 . 1 1 38 38 ALA C C 50 181.300 181.300 179.806 1.494 17914 262 1 2 . 1 1 38 38 ALA CA C 50 54.670 54.670 54.559 0.111 17914 263 1 2 . 1 1 39 39 LEU N N 51 117.300 117.300 119.782 -2.482 17914 264 1 2 . 1 1 39 39 LEU C C 51 175.500 175.500 178.016 -2.516 17914 265 1 2 . 1 1 39 39 LEU CA C 51 55.870 55.870 56.709 -0.839 17914 266 1 2 . 1 1 40 40 ALA N N 52 120.300 120.300 121.411 -1.111 17914 267 1 2 . 1 1 40 40 ALA C C 52 174.300 174.300 179.693 -5.393 17914 268 1 2 . 1 1 40 40 ALA CA C 52 53.860 53.860 55.016 -1.156 17914 269 1 2 . 1 1 41 41 ILE N N 53 117.500 117.500 118.128 -0.628 17914 270 1 2 . 1 1 41 41 ILE C C 53 175.000 175.000 177.563 -2.563 17914 271 1 2 . 1 1 41 41 ILE CA C 53 64.650 64.650 62.695 1.955 17914 272 1 2 . 1 1 42 42 PHE N N 54 119.100 119.100 120.974 -1.874 17914 273 1 2 . 1 1 42 42 PHE C C 54 178.700 178.700 177.892 0.808 17914 274 1 2 . 1 1 42 42 PHE CA C 54 59.800 59.800 61.490 -1.690 17914 275 1 2 . 1 1 43 43 ILE N N 55 120.900 120.900 118.902 1.998 17914 276 1 2 . 1 1 43 43 ILE C C 55 173.300 173.300 177.850 -4.550 17914 277 1 2 . 1 1 43 43 ILE CA C 55 63.460 63.460 64.825 -1.365 17914 278 1 2 . 1 1 44 44 GLY N N 56 109.200 109.200 108.039 1.161 17914 279 1 2 . 1 1 44 44 GLY C C 56 172.700 172.700 176.234 -3.534 17914 280 1 2 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.003 -1.103 17914 281 1 2 . 1 1 45 45 LEU N N 57 120.100 120.100 121.251 -1.151 17914 282 1 2 . 1 1 45 45 LEU C C 57 176.000 176.000 178.690 -2.690 17914 283 1 2 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.140 -0.920 17914 284 1 2 . 1 1 46 46 THR N N 58 116.700 116.700 116.659 0.041 17914 285 1 2 . 1 1 46 46 THR C C 58 175.000 175.000 177.177 -2.177 17914 286 1 2 . 1 1 46 46 THR CA C 58 64.610 64.610 66.621 -2.011 17914 287 1 2 . 1 1 47 47 ILE N N 59 120.500 120.500 121.613 -1.113 17914 288 1 2 . 1 1 47 47 ILE C C 59 175.300 175.300 177.300 -2.000 17914 289 1 2 . 1 1 47 47 ILE CA C 59 65.200 65.200 64.487 0.713 17914 290 1 2 . 1 1 48 48 TYR N N 60 120.100 120.100 120.103 -0.003 17914 291 1 2 . 1 1 48 48 TYR C C 60 175.200 175.200 176.451 -1.251 17914 292 1 2 . 1 1 48 48 TYR CA C 60 59.300 59.300 61.481 -2.181 17914 293 1 2 . 1 1 49 49 ALA N N 61 122.500 122.500 121.826 0.674 17914 294 1 2 . 1 1 49 49 ALA C C 61 177.500 177.500 179.384 -1.884 17914 295 1 2 . 1 1 49 49 ALA CA C 61 53.220 53.220 54.995 -1.775 17914 296 1 2 . 1 1 50 50 ILE N N 62 118.500 118.500 115.029 3.471 17914 297 1 2 . 1 1 50 50 ILE C C 62 173.500 173.500 177.564 -4.064 17914 298 1 2 . 1 1 50 50 ILE CA C 62 64.110 64.110 63.578 0.532 17914 299 1 2 . 1 1 51 51 GLN N N 63 119.700 119.700 121.087 -1.387 17914 300 1 2 . 1 1 51 51 GLN C C 63 176.100 176.100 177.660 -1.560 17914 301 1 2 . 1 1 51 51 GLN CA C 63 56.500 56.500 58.638 -2.138 17914 302 1 2 . 1 1 52 52 ARG N N 64 118.900 118.900 118.874 0.026 17914 303 1 2 . 1 1 52 52 ARG C C 64 176.200 176.200 178.495 -2.295 17914 304 1 2 . 1 1 52 52 ARG CA C 64 56.840 56.840 59.606 -2.766 17914 305 1 2 . 1 1 53 53 LYS N N 65 120.200 120.200 118.372 1.828 17914 306 1 2 . 1 1 53 53 LYS C C 65 176.100 176.100 178.402 -2.302 17914 307 1 2 . 1 1 53 53 LYS CA C 65 56.100 56.100 59.018 -2.918 17914 308 1 2 . 1 1 54 54 ARG N N 66 118.500 118.500 120.054 -1.554 17914 309 1 2 . 1 1 54 54 ARG C C 66 173.600 173.600 178.270 -4.670 17914 310 1 2 . 1 1 54 54 ARG CA C 66 57.500 57.500 59.518 -2.018 17914 311 1 2 . 1 1 55 55 GLN N N 67 117.900 117.900 119.111 -1.211 17914 312 1 2 . 1 1 55 55 GLN C C 67 177.500 177.500 177.414 0.086 17914 313 1 2 . 1 1 55 55 GLN CA C 67 55.600 55.600 58.721 -3.121 17914 314 1 2 . 1 1 56 56 ALA C C 68 51.630 51.630 179.035 -127.405 17914 315 1 2 . 1 1 56 56 ALA CA C 68 123.900 123.900 54.324 69.576 17914 316 1 2 . 1 1 57 57 ASP N N 69 105.000 105.000 119.236 -14.236 17914 317 1 2 . 1 1 57 57 ASP C C 69 53.960 53.960 176.730 -122.770 17914 318 1 2 . 1 1 57 57 ASP CA C 69 118.900 118.900 53.985 64.915 17914 319 1 2 . 1 1 58 58 ALA N N 70 125.500 125.500 122.708 2.792 17914 320 1 2 . 1 1 58 58 ALA C C 70 175.600 175.600 176.671 -1.071 17914 321 1 2 . 1 1 58 58 ALA CA C 70 50.600 50.600 52.734 -2.134 17914 322 1 2 . 1 1 59 59 SER N N 71 113.800 113.800 118.053 -4.253 17914 323 1 2 . 1 1 59 59 SER C C 71 175.900 175.900 175.562 0.338 17914 324 1 2 . 1 1 59 59 SER CA C 71 56.170 56.170 57.696 -1.526 17914 325 1 3 . 1 1 2 2 GLY N N 14 108.800 108.800 109.874 -1.074 17914 326 1 3 . 1 1 2 2 GLY C C 14 174.100 174.100 175.337 -1.237 17914 327 1 3 . 1 1 2 2 GLY CA C 14 44.790 44.790 48.041 -3.251 17914 328 1 3 . 1 1 3 3 THR N N 15 110.500 110.500 114.694 -4.194 17914 329 1 3 . 1 1 3 3 THR C C 15 176.200 176.200 176.894 -0.694 17914 330 1 3 . 1 1 3 3 THR CA C 15 60.370 60.370 65.985 -5.615 17914 331 1 3 . 1 1 4 4 THR N N 16 110.400 110.400 115.517 -5.117 17914 332 1 3 . 1 1 4 4 THR CA C 16 62.400 62.400 65.145 -2.745 17914 333 1 3 . 1 1 5 5 LEU N N 17 120.600 120.600 121.431 -0.831 17914 334 1 3 . 1 1 5 5 LEU C C 17 173.400 173.400 178.927 -5.527 17914 335 1 3 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.169 -1.809 17914 336 1 3 . 1 1 6 6 VAL N N 18 115.800 115.800 119.574 -3.774 17914 337 1 3 . 1 1 6 6 VAL CA C 18 63.000 63.000 66.370 -3.370 17914 338 1 3 . 1 1 7 7 ALA N N 19 124.100 124.100 122.228 1.872 17914 339 1 3 . 1 1 7 7 ALA C C 19 172.500 172.500 179.643 -7.143 17914 340 1 3 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.639 -1.729 17914 341 1 3 . 1 1 9 9 SER N N 21 113.000 113.000 115.252 -2.252 17914 342 1 3 . 1 1 9 9 SER C C 21 176.900 176.900 177.075 -0.175 17914 343 1 3 . 1 1 9 9 SER CA C 21 58.730 58.730 61.417 -2.687 17914 344 1 3 . 1 1 10 10 SER N N 22 114.700 114.700 118.643 -3.943 17914 345 1 3 . 1 1 10 10 SER C C 22 175.900 175.900 175.951 -0.051 17914 346 1 3 . 1 1 10 10 SER CA C 22 56.040 56.040 61.614 -5.574 17914 347 1 3 . 1 1 11 11 PHE N N 23 117.400 117.400 119.304 -1.904 17914 348 1 3 . 1 1 11 11 PHE C C 23 174.000 174.000 176.561 -2.561 17914 349 1 3 . 1 1 11 11 PHE CA C 23 55.850 55.850 59.681 -3.831 17914 350 1 3 . 1 1 12 12 THR N N 24 115.600 115.600 116.773 -1.173 17914 351 1 3 . 1 1 12 12 THR C C 24 175.800 175.800 173.996 1.804 17914 352 1 3 . 1 1 12 12 THR CA C 24 64.650 64.650 69.166 -4.516 17914 353 1 3 . 1 1 14 14 VAL N N 26 113.300 113.300 117.865 -4.565 17914 354 1 3 . 1 1 14 14 VAL C C 26 173.900 173.900 178.322 -4.422 17914 355 1 3 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.592 -2.402 17914 356 1 3 . 1 1 15 15 LEU N N 27 118.900 118.900 121.917 -3.017 17914 357 1 3 . 1 1 15 15 LEU C C 27 174.400 174.400 178.304 -3.904 17914 358 1 3 . 1 1 15 15 LEU CA C 27 55.680 55.680 58.089 -2.409 17914 359 1 3 . 1 1 16 16 VAL N N 28 114.200 114.200 119.808 -5.608 17914 360 1 3 . 1 1 16 16 VAL C C 28 177.100 177.100 177.631 -0.531 17914 361 1 3 . 1 1 16 16 VAL CA C 28 64.900 64.900 66.621 -1.721 17914 362 1 3 . 1 1 17 17 ILE N N 29 118.400 118.400 119.806 -1.406 17914 363 1 3 . 1 1 17 17 ILE C C 29 173.900 173.900 177.217 -3.317 17914 364 1 3 . 1 1 17 17 ILE CA C 29 63.300 63.300 63.561 -0.261 17914 365 1 3 . 1 1 18 18 LEU N N 30 118.800 118.800 120.840 -2.040 17914 366 1 3 . 1 1 18 18 LEU C C 30 173.700 173.700 178.688 -4.988 17914 367 1 3 . 1 1 18 18 LEU CA C 30 56.750 56.750 57.947 -1.197 17914 368 1 3 . 1 1 19 19 LEU N N 31 118.600 118.600 118.739 -0.139 17914 369 1 3 . 1 1 19 19 LEU C C 31 173.500 173.500 179.223 -5.723 17914 370 1 3 . 1 1 19 19 LEU CA C 31 54.580 54.580 57.192 -2.612 17914 371 1 3 . 1 1 20 20 GLY N N 32 108.100 108.100 107.720 0.380 17914 372 1 3 . 1 1 20 20 GLY C C 32 173.800 173.800 176.410 -2.610 17914 373 1 3 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.140 -1.880 17914 374 1 3 . 1 1 21 21 VAL N N 33 121.100 121.100 121.708 -0.608 17914 375 1 3 . 1 1 21 21 VAL C C 33 175.400 175.400 177.365 -1.965 17914 376 1 3 . 1 1 21 21 VAL CA C 33 65.000 65.000 65.521 -0.521 17914 377 1 3 . 1 1 22 22 VAL N N 34 121.900 121.900 118.706 3.194 17914 378 1 3 . 1 1 22 22 VAL C C 34 174.600 174.600 177.290 -2.690 17914 379 1 3 . 1 1 22 22 VAL CA C 34 65.330 65.330 65.528 -0.198 17914 380 1 3 . 1 1 23 23 GLY N N 35 108.000 108.000 106.914 1.086 17914 381 1 3 . 1 1 23 23 GLY C C 35 173.800 173.800 176.551 -2.751 17914 382 1 3 . 1 1 23 23 GLY CA C 35 45.260 45.260 46.872 -1.612 17914 383 1 3 . 1 1 24 24 LEU N N 36 120.300 120.300 122.241 -1.941 17914 384 1 3 . 1 1 24 24 LEU C C 36 176.000 176.000 178.914 -2.914 17914 385 1 3 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.343 -1.343 17914 386 1 3 . 1 1 25 25 SER N N 37 117.300 117.300 115.002 2.298 17914 387 1 3 . 1 1 25 25 SER C C 37 177.300 177.300 176.737 0.563 17914 388 1 3 . 1 1 25 25 SER CA C 37 59.640 59.640 60.949 -1.309 17914 389 1 3 . 1 1 26 26 ALA N N 38 125.400 125.400 126.209 -0.809 17914 390 1 3 . 1 1 26 26 ALA C C 38 173.000 173.000 179.405 -6.405 17914 391 1 3 . 1 1 26 26 ALA CA C 38 53.130 53.130 54.753 -1.623 17914 392 1 3 . 1 1 27 27 LEU N N 39 117.400 117.400 116.346 1.054 17914 393 1 3 . 1 1 27 27 LEU C C 39 178.100 178.100 178.213 -0.113 17914 394 1 3 . 1 1 27 27 LEU CA C 39 55.300 55.300 57.066 -1.766 17914 395 1 3 . 1 1 28 28 THR N N 40 103.800 103.800 107.979 -4.179 17914 396 1 3 . 1 1 28 28 THR C C 40 173.100 173.100 175.604 -2.504 17914 397 1 3 . 1 1 28 28 THR CA C 40 59.700 59.700 61.772 -2.072 17914 398 1 3 . 1 1 29 29 GLY N N 41 109.800 109.800 110.484 -0.684 17914 399 1 3 . 1 1 29 29 GLY C C 41 172.600 172.600 173.443 -0.843 17914 400 1 3 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.503 0.957 17914 401 1 3 . 1 1 30 30 TYR N N 42 118.700 118.700 122.008 -3.308 17914 402 1 3 . 1 1 30 30 TYR C C 42 172.800 172.800 177.422 -4.622 17914 403 1 3 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.669 -2.068 17914 404 1 3 . 1 1 31 31 LEU N N 43 120.900 120.900 123.309 -2.409 17914 405 1 3 . 1 1 31 31 LEU C C 43 173.600 173.600 177.699 -4.099 17914 406 1 3 . 1 1 31 31 LEU CA C 43 55.750 55.750 58.244 -2.494 17914 407 1 3 . 1 1 32 32 ASP N N 44 116.400 116.400 117.132 -0.732 17914 408 1 3 . 1 1 32 32 ASP C C 44 181.400 181.400 178.043 3.357 17914 409 1 3 . 1 1 32 32 ASP CA C 44 54.400 54.400 56.076 -1.676 17914 410 1 3 . 1 1 33 33 TYR N N 45 116.900 116.900 119.924 -3.024 17914 411 1 3 . 1 1 33 33 TYR C C 45 174.100 174.100 176.120 -2.020 17914 412 1 3 . 1 1 33 33 TYR CA C 45 55.800 55.800 59.282 -3.482 17914 413 1 3 . 1 1 34 34 VAL N N 46 114.700 114.700 119.267 -4.567 17914 414 1 3 . 1 1 34 34 VAL C C 46 175.800 175.800 175.256 0.544 17914 415 1 3 . 1 1 34 34 VAL CA C 46 60.390 60.390 62.333 -1.943 17914 416 1 3 . 1 1 35 35 LEU N N 47 120.200 120.200 120.945 -0.745 17914 417 1 3 . 1 1 35 35 LEU C C 47 175.800 175.800 178.125 -2.325 17914 418 1 3 . 1 1 35 35 LEU CA C 47 56.350 56.350 57.462 -1.112 17914 419 1 3 . 1 1 36 36 LEU N N 48 116.300 116.300 120.643 -4.343 17914 420 1 3 . 1 1 36 36 LEU C C 48 176.700 176.700 176.294 0.406 17914 421 1 3 . 1 1 36 36 LEU CA C 48 57.160 57.160 59.919 -2.759 17914 422 1 3 . 1 1 38 38 ALA N N 50 116.400 116.400 121.690 -5.290 17914 423 1 3 . 1 1 38 38 ALA C C 50 181.300 181.300 180.087 1.213 17914 424 1 3 . 1 1 38 38 ALA CA C 50 54.670 54.670 54.721 -0.051 17914 425 1 3 . 1 1 39 39 LEU N N 51 117.300 117.300 119.246 -1.946 17914 426 1 3 . 1 1 39 39 LEU C C 51 175.500 175.500 178.631 -3.131 17914 427 1 3 . 1 1 39 39 LEU CA C 51 55.870 55.870 56.944 -1.074 17914 428 1 3 . 1 1 40 40 ALA N N 52 120.300 120.300 122.108 -1.808 17914 429 1 3 . 1 1 40 40 ALA C C 52 174.300 174.300 179.675 -5.375 17914 430 1 3 . 1 1 40 40 ALA CA C 52 53.860 53.860 55.115 -1.255 17914 431 1 3 . 1 1 41 41 ILE N N 53 117.500 117.500 118.029 -0.529 17914 432 1 3 . 1 1 41 41 ILE C C 53 175.000 175.000 177.856 -2.856 17914 433 1 3 . 1 1 41 41 ILE CA C 53 64.650 64.650 62.850 1.800 17914 434 1 3 . 1 1 42 42 PHE N N 54 119.100 119.100 118.670 0.430 17914 435 1 3 . 1 1 42 42 PHE C C 54 178.700 178.700 178.206 0.494 17914 436 1 3 . 1 1 42 42 PHE CA C 54 59.800 59.800 61.933 -2.133 17914 437 1 3 . 1 1 43 43 ILE N N 55 120.900 120.900 119.124 1.776 17914 438 1 3 . 1 1 43 43 ILE C C 55 173.300 173.300 178.579 -5.279 17914 439 1 3 . 1 1 43 43 ILE CA C 55 63.460 63.460 62.983 0.477 17914 440 1 3 . 1 1 44 44 GLY N N 56 109.200 109.200 108.369 0.831 17914 441 1 3 . 1 1 44 44 GLY C C 56 172.700 172.700 176.855 -4.155 17914 442 1 3 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.121 -1.221 17914 443 1 3 . 1 1 45 45 LEU N N 57 120.100 120.100 121.450 -1.350 17914 444 1 3 . 1 1 45 45 LEU C C 57 176.000 176.000 179.189 -3.189 17914 445 1 3 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.204 -0.984 17914 446 1 3 . 1 1 46 46 THR N N 58 116.700 116.700 116.721 -0.021 17914 447 1 3 . 1 1 46 46 THR C C 58 175.000 175.000 177.558 -2.558 17914 448 1 3 . 1 1 46 46 THR CA C 58 64.610 64.610 66.557 -1.947 17914 449 1 3 . 1 1 47 47 ILE N N 59 120.500 120.500 121.288 -0.788 17914 450 1 3 . 1 1 47 47 ILE C C 59 175.300 175.300 177.618 -2.318 17914 451 1 3 . 1 1 47 47 ILE CA C 59 65.200 65.200 62.581 2.619 17914 452 1 3 . 1 1 48 48 TYR N N 60 120.100 120.100 120.845 -0.745 17914 453 1 3 . 1 1 48 48 TYR C C 60 175.200 175.200 176.608 -1.408 17914 454 1 3 . 1 1 48 48 TYR CA C 60 59.300 59.300 61.596 -2.296 17914 455 1 3 . 1 1 49 49 ALA N N 61 122.500 122.500 121.696 0.804 17914 456 1 3 . 1 1 49 49 ALA C C 61 177.500 177.500 179.398 -1.898 17914 457 1 3 . 1 1 49 49 ALA CA C 61 53.220 53.220 54.997 -1.777 17914 458 1 3 . 1 1 50 50 ILE N N 62 118.500 118.500 117.584 0.916 17914 459 1 3 . 1 1 50 50 ILE C C 62 173.500 173.500 177.620 -4.120 17914 460 1 3 . 1 1 50 50 ILE CA C 62 64.110 64.110 63.757 0.353 17914 461 1 3 . 1 1 51 51 GLN N N 63 119.700 119.700 118.717 0.983 17914 462 1 3 . 1 1 51 51 GLN C C 63 176.100 176.100 178.158 -2.058 17914 463 1 3 . 1 1 51 51 GLN CA C 63 56.500 56.500 58.762 -2.262 17914 464 1 3 . 1 1 52 52 ARG N N 64 118.900 118.900 119.452 -0.552 17914 465 1 3 . 1 1 52 52 ARG C C 64 176.200 176.200 178.501 -2.301 17914 466 1 3 . 1 1 52 52 ARG CA C 64 56.840 56.840 59.568 -2.728 17914 467 1 3 . 1 1 53 53 LYS N N 65 120.200 120.200 118.930 1.270 17914 468 1 3 . 1 1 53 53 LYS C C 65 176.100 176.100 178.949 -2.849 17914 469 1 3 . 1 1 53 53 LYS CA C 65 56.100 56.100 58.669 -2.569 17914 470 1 3 . 1 1 54 54 ARG N N 66 118.500 118.500 118.848 -0.348 17914 471 1 3 . 1 1 54 54 ARG C C 66 173.600 173.600 178.978 -5.378 17914 472 1 3 . 1 1 54 54 ARG CA C 66 57.500 57.500 58.643 -1.143 17914 473 1 3 . 1 1 55 55 GLN N N 67 117.900 117.900 118.524 -0.624 17914 474 1 3 . 1 1 55 55 GLN C C 67 177.500 177.500 177.636 -0.136 17914 475 1 3 . 1 1 55 55 GLN CA C 67 55.600 55.600 58.154 -2.554 17914 476 1 3 . 1 1 56 56 ALA C C 68 51.630 51.630 178.074 -126.444 17914 477 1 3 . 1 1 56 56 ALA CA C 68 123.900 123.900 53.937 69.963 17914 478 1 3 . 1 1 57 57 ASP N N 69 105.000 105.000 116.393 -11.393 17914 479 1 3 . 1 1 57 57 ASP C C 69 53.960 53.960 174.663 -120.703 17914 480 1 3 . 1 1 57 57 ASP CA C 69 118.900 118.900 54.202 64.698 17914 481 1 3 . 1 1 58 58 ALA N N 70 125.500 125.500 124.114 1.386 17914 482 1 3 . 1 1 58 58 ALA C C 70 175.600 175.600 177.978 -2.378 17914 483 1 3 . 1 1 58 58 ALA CA C 70 50.600 50.600 52.883 -2.283 17914 484 1 3 . 1 1 59 59 SER N N 71 113.800 113.800 117.505 -3.705 17914 485 1 3 . 1 1 59 59 SER C C 71 175.900 175.900 174.276 1.624 17914 486 1 3 . 1 1 59 59 SER CA C 71 56.170 56.170 58.729 -2.559 17914 487 1 4 . 1 1 2 2 GLY N N 14 108.800 108.800 109.493 -0.693 17914 488 1 4 . 1 1 2 2 GLY C C 14 174.100 174.100 175.041 -0.941 17914 489 1 4 . 1 1 2 2 GLY CA C 14 44.790 44.790 48.201 -3.411 17914 490 1 4 . 1 1 3 3 THR N N 15 110.500 110.500 113.738 -3.238 17914 491 1 4 . 1 1 3 3 THR C C 15 176.200 176.200 176.500 -0.300 17914 492 1 4 . 1 1 3 3 THR CA C 15 60.370 60.370 66.012 -5.642 17914 493 1 4 . 1 1 4 4 THR N N 16 110.400 110.400 116.201 -5.801 17914 494 1 4 . 1 1 4 4 THR CA C 16 62.400 62.400 65.543 -3.143 17914 495 1 4 . 1 1 5 5 LEU N N 17 120.600 120.600 121.522 -0.922 17914 496 1 4 . 1 1 5 5 LEU C C 17 173.400 173.400 179.160 -5.760 17914 497 1 4 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.161 -1.801 17914 498 1 4 . 1 1 6 6 VAL N N 18 115.800 115.800 119.769 -3.969 17914 499 1 4 . 1 1 6 6 VAL CA C 18 63.000 63.000 66.509 -3.509 17914 500 1 4 . 1 1 7 7 ALA N N 19 124.100 124.100 122.104 1.996 17914 501 1 4 . 1 1 7 7 ALA C C 19 172.500 172.500 179.830 -7.330 17914 502 1 4 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.477 -1.567 17914 503 1 4 . 1 1 9 9 SER N N 21 113.000 113.000 115.041 -2.041 17914 504 1 4 . 1 1 9 9 SER C C 21 176.900 176.900 177.025 -0.125 17914 505 1 4 . 1 1 9 9 SER CA C 21 58.730 58.730 61.182 -2.452 17914 506 1 4 . 1 1 10 10 SER N N 22 114.700 114.700 119.703 -5.003 17914 507 1 4 . 1 1 10 10 SER C C 22 175.900 175.900 175.952 -0.052 17914 508 1 4 . 1 1 10 10 SER CA C 22 56.040 56.040 61.070 -5.030 17914 509 1 4 . 1 1 11 11 PHE N N 23 117.400 117.400 119.562 -2.162 17914 510 1 4 . 1 1 11 11 PHE C C 23 174.000 174.000 176.730 -2.730 17914 511 1 4 . 1 1 11 11 PHE CA C 23 55.850 55.850 59.948 -4.098 17914 512 1 4 . 1 1 12 12 THR N N 24 115.600 115.600 117.234 -1.634 17914 513 1 4 . 1 1 12 12 THR C C 24 175.800 175.800 174.142 1.658 17914 514 1 4 . 1 1 12 12 THR CA C 24 64.650 64.650 69.142 -4.492 17914 515 1 4 . 1 1 14 14 VAL N N 26 113.300 113.300 117.790 -4.490 17914 516 1 4 . 1 1 14 14 VAL C C 26 173.900 173.900 178.246 -4.346 17914 517 1 4 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.562 -2.372 17914 518 1 4 . 1 1 15 15 LEU N N 27 118.900 118.900 122.042 -3.142 17914 519 1 4 . 1 1 15 15 LEU C C 27 174.400 174.400 178.126 -3.726 17914 520 1 4 . 1 1 15 15 LEU CA C 27 55.680 55.680 58.019 -2.339 17914 521 1 4 . 1 1 16 16 VAL N N 28 114.200 114.200 117.508 -3.308 17914 522 1 4 . 1 1 16 16 VAL C C 28 177.100 177.100 177.802 -0.702 17914 523 1 4 . 1 1 16 16 VAL CA C 28 64.900 64.900 66.295 -1.395 17914 524 1 4 . 1 1 17 17 ILE N N 29 118.400 118.400 117.495 0.905 17914 525 1 4 . 1 1 17 17 ILE C C 29 173.900 173.900 177.417 -3.517 17914 526 1 4 . 1 1 17 17 ILE CA C 29 63.300 63.300 64.116 -0.816 17914 527 1 4 . 1 1 18 18 LEU N N 30 118.800 118.800 121.651 -2.851 17914 528 1 4 . 1 1 18 18 LEU C C 30 173.700 173.700 178.402 -4.702 17914 529 1 4 . 1 1 18 18 LEU CA C 30 56.750 56.750 57.883 -1.133 17914 530 1 4 . 1 1 19 19 LEU N N 31 118.600 118.600 118.843 -0.243 17914 531 1 4 . 1 1 19 19 LEU C C 31 173.500 173.500 178.708 -5.208 17914 532 1 4 . 1 1 19 19 LEU CA C 31 54.580 54.580 57.803 -3.223 17914 533 1 4 . 1 1 20 20 GLY N N 32 108.100 108.100 107.109 0.991 17914 534 1 4 . 1 1 20 20 GLY C C 32 173.800 173.800 175.668 -1.868 17914 535 1 4 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.064 -1.804 17914 536 1 4 . 1 1 21 21 VAL N N 33 121.100 121.100 122.318 -1.218 17914 537 1 4 . 1 1 21 21 VAL C C 33 175.400 175.400 177.667 -2.267 17914 538 1 4 . 1 1 21 21 VAL CA C 33 65.000 65.000 65.519 -0.519 17914 539 1 4 . 1 1 22 22 VAL N N 34 121.900 121.900 115.267 6.633 17914 540 1 4 . 1 1 22 22 VAL C C 34 174.600 174.600 177.420 -2.820 17914 541 1 4 . 1 1 22 22 VAL CA C 34 65.330 65.330 65.173 0.157 17914 542 1 4 . 1 1 23 23 GLY N N 35 108.000 108.000 108.389 -0.389 17914 543 1 4 . 1 1 23 23 GLY C C 35 173.800 173.800 176.544 -2.744 17914 544 1 4 . 1 1 23 23 GLY CA C 35 45.260 45.260 46.853 -1.593 17914 545 1 4 . 1 1 24 24 LEU N N 36 120.300 120.300 121.754 -1.454 17914 546 1 4 . 1 1 24 24 LEU C C 36 176.000 176.000 178.975 -2.975 17914 547 1 4 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.429 -1.429 17914 548 1 4 . 1 1 25 25 SER N N 37 117.300 117.300 114.219 3.081 17914 549 1 4 . 1 1 25 25 SER C C 37 177.300 177.300 176.072 1.228 17914 550 1 4 . 1 1 25 25 SER CA C 37 59.640 59.640 60.823 -1.183 17914 551 1 4 . 1 1 26 26 ALA N N 38 125.400 125.400 125.194 0.206 17914 552 1 4 . 1 1 26 26 ALA C C 38 173.000 173.000 179.183 -6.183 17914 553 1 4 . 1 1 26 26 ALA CA C 38 53.130 53.130 55.116 -1.986 17914 554 1 4 . 1 1 27 27 LEU N N 39 117.400 117.400 115.602 1.798 17914 555 1 4 . 1 1 27 27 LEU C C 39 178.100 178.100 177.471 0.629 17914 556 1 4 . 1 1 27 27 LEU CA C 39 55.300 55.300 57.294 -1.994 17914 557 1 4 . 1 1 28 28 THR N N 40 103.800 103.800 114.606 -10.806 17914 558 1 4 . 1 1 28 28 THR C C 40 173.100 173.100 175.122 -2.022 17914 559 1 4 . 1 1 28 28 THR CA C 40 59.700 59.700 63.295 -3.595 17914 560 1 4 . 1 1 29 29 GLY N N 41 109.800 109.800 109.674 0.126 17914 561 1 4 . 1 1 29 29 GLY C C 41 172.600 172.600 173.199 -0.599 17914 562 1 4 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.459 1.001 17914 563 1 4 . 1 1 30 30 TYR N N 42 118.700 118.700 121.714 -3.014 17914 564 1 4 . 1 1 30 30 TYR C C 42 172.800 172.800 177.399 -4.599 17914 565 1 4 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.866 -2.266 17914 566 1 4 . 1 1 31 31 LEU N N 43 120.900 120.900 123.660 -2.760 17914 567 1 4 . 1 1 31 31 LEU C C 43 173.600 173.600 178.330 -4.730 17914 568 1 4 . 1 1 31 31 LEU CA C 43 55.750 55.750 58.087 -2.337 17914 569 1 4 . 1 1 32 32 ASP N N 44 116.400 116.400 118.281 -1.881 17914 570 1 4 . 1 1 32 32 ASP C C 44 181.400 181.400 178.262 3.138 17914 571 1 4 . 1 1 32 32 ASP CA C 44 54.400 54.400 56.234 -1.834 17914 572 1 4 . 1 1 33 33 TYR N N 45 116.900 116.900 118.609 -1.709 17914 573 1 4 . 1 1 33 33 TYR C C 45 174.100 174.100 176.661 -2.561 17914 574 1 4 . 1 1 33 33 TYR CA C 45 55.800 55.800 58.868 -3.068 17914 575 1 4 . 1 1 34 34 VAL N N 46 114.700 114.700 119.222 -4.522 17914 576 1 4 . 1 1 34 34 VAL C C 46 175.800 175.800 175.502 0.298 17914 577 1 4 . 1 1 34 34 VAL CA C 46 60.390 60.390 61.816 -1.426 17914 578 1 4 . 1 1 35 35 LEU N N 47 120.200 120.200 120.227 -0.027 17914 579 1 4 . 1 1 35 35 LEU C C 47 175.800 175.800 178.142 -2.342 17914 580 1 4 . 1 1 35 35 LEU CA C 47 56.350 56.350 57.529 -1.179 17914 581 1 4 . 1 1 36 36 LEU N N 48 116.300 116.300 120.478 -4.178 17914 582 1 4 . 1 1 36 36 LEU C C 48 176.700 176.700 176.859 -0.159 17914 583 1 4 . 1 1 36 36 LEU CA C 48 57.160 57.160 58.853 -1.694 17914 584 1 4 . 1 1 38 38 ALA N N 50 116.400 116.400 121.028 -4.628 17914 585 1 4 . 1 1 38 38 ALA C C 50 181.300 181.300 179.890 1.410 17914 586 1 4 . 1 1 38 38 ALA CA C 50 54.670 54.670 54.610 0.060 17914 587 1 4 . 1 1 39 39 LEU N N 51 117.300 117.300 119.994 -2.694 17914 588 1 4 . 1 1 39 39 LEU C C 51 175.500 175.500 178.147 -2.647 17914 589 1 4 . 1 1 39 39 LEU CA C 51 55.870 55.870 57.177 -1.307 17914 590 1 4 . 1 1 40 40 ALA N N 52 120.300 120.300 121.324 -1.024 17914 591 1 4 . 1 1 40 40 ALA C C 52 174.300 174.300 179.757 -5.457 17914 592 1 4 . 1 1 40 40 ALA CA C 52 53.860 53.860 55.041 -1.181 17914 593 1 4 . 1 1 41 41 ILE N N 53 117.500 117.500 117.831 -0.331 17914 594 1 4 . 1 1 41 41 ILE C C 53 175.000 175.000 177.827 -2.827 17914 595 1 4 . 1 1 41 41 ILE CA C 53 64.650 64.650 62.856 1.794 17914 596 1 4 . 1 1 42 42 PHE N N 54 119.100 119.100 118.575 0.525 17914 597 1 4 . 1 1 42 42 PHE C C 54 178.700 178.700 178.209 0.491 17914 598 1 4 . 1 1 42 42 PHE CA C 54 59.800 59.800 61.858 -2.058 17914 599 1 4 . 1 1 43 43 ILE N N 55 120.900 120.900 119.018 1.882 17914 600 1 4 . 1 1 43 43 ILE C C 55 173.300 173.300 178.600 -5.300 17914 601 1 4 . 1 1 43 43 ILE CA C 55 63.460 63.460 62.841 0.619 17914 602 1 4 . 1 1 44 44 GLY N N 56 109.200 109.200 107.993 1.207 17914 603 1 4 . 1 1 44 44 GLY C C 56 172.700 172.700 176.388 -3.688 17914 604 1 4 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.045 -1.145 17914 605 1 4 . 1 1 45 45 LEU N N 57 120.100 120.100 120.627 -0.527 17914 606 1 4 . 1 1 45 45 LEU C C 57 176.000 176.000 178.239 -2.239 17914 607 1 4 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.174 -0.954 17914 608 1 4 . 1 1 46 46 THR N N 58 116.700 116.700 116.524 0.176 17914 609 1 4 . 1 1 46 46 THR C C 58 175.000 175.000 177.431 -2.431 17914 610 1 4 . 1 1 46 46 THR CA C 58 64.610 64.610 66.646 -2.036 17914 611 1 4 . 1 1 47 47 ILE N N 59 120.500 120.500 121.372 -0.872 17914 612 1 4 . 1 1 47 47 ILE C C 59 175.300 175.300 177.644 -2.344 17914 613 1 4 . 1 1 47 47 ILE CA C 59 65.200 65.200 62.655 2.545 17914 614 1 4 . 1 1 48 48 TYR N N 60 120.100 120.100 120.783 -0.683 17914 615 1 4 . 1 1 48 48 TYR C C 60 175.200 175.200 176.640 -1.440 17914 616 1 4 . 1 1 48 48 TYR CA C 60 59.300 59.300 61.588 -2.288 17914 617 1 4 . 1 1 49 49 ALA N N 61 122.500 122.500 121.590 0.910 17914 618 1 4 . 1 1 49 49 ALA C C 61 177.500 177.500 179.378 -1.878 17914 619 1 4 . 1 1 49 49 ALA CA C 61 53.220 53.220 54.951 -1.731 17914 620 1 4 . 1 1 50 50 ILE N N 62 118.500 118.500 117.435 1.065 17914 621 1 4 . 1 1 50 50 ILE C C 62 173.500 173.500 177.629 -4.129 17914 622 1 4 . 1 1 50 50 ILE CA C 62 64.110 64.110 63.742 0.368 17914 623 1 4 . 1 1 51 51 GLN N N 63 119.700 119.700 119.091 0.609 17914 624 1 4 . 1 1 51 51 GLN C C 63 176.100 176.100 178.412 -2.312 17914 625 1 4 . 1 1 51 51 GLN CA C 63 56.500 56.500 58.921 -2.421 17914 626 1 4 . 1 1 52 52 ARG N N 64 118.900 118.900 118.170 0.730 17914 627 1 4 . 1 1 52 52 ARG C C 64 176.200 176.200 178.850 -2.650 17914 628 1 4 . 1 1 52 52 ARG CA C 64 56.840 56.840 59.495 -2.655 17914 629 1 4 . 1 1 53 53 LYS N N 65 120.200 120.200 118.767 1.433 17914 630 1 4 . 1 1 53 53 LYS C C 65 176.100 176.100 178.335 -2.235 17914 631 1 4 . 1 1 53 53 LYS CA C 65 56.100 56.100 58.745 -2.646 17914 632 1 4 . 1 1 54 54 ARG N N 66 118.500 118.500 119.345 -0.845 17914 633 1 4 . 1 1 54 54 ARG C C 66 173.600 173.600 178.714 -5.114 17914 634 1 4 . 1 1 54 54 ARG CA C 66 57.500 57.500 59.089 -1.589 17914 635 1 4 . 1 1 55 55 GLN N N 67 117.900 117.900 118.708 -0.808 17914 636 1 4 . 1 1 55 55 GLN C C 67 177.500 177.500 177.435 0.065 17914 637 1 4 . 1 1 55 55 GLN CA C 67 55.600 55.600 58.286 -2.686 17914 638 1 4 . 1 1 56 56 ALA C C 68 51.630 51.630 176.204 -124.574 17914 639 1 4 . 1 1 56 56 ALA CA C 68 123.900 123.900 51.591 72.309 17914 640 1 4 . 1 1 57 57 ASP N N 69 105.000 105.000 117.149 -12.149 17914 641 1 4 . 1 1 57 57 ASP C C 69 53.960 53.960 175.228 -121.268 17914 642 1 4 . 1 1 57 57 ASP CA C 69 118.900 118.900 53.546 65.354 17914 643 1 4 . 1 1 58 58 ALA N N 70 125.500 125.500 122.577 2.923 17914 644 1 4 . 1 1 58 58 ALA C C 70 175.600 175.600 177.826 -2.226 17914 645 1 4 . 1 1 58 58 ALA CA C 70 50.600 50.600 54.292 -3.692 17914 646 1 4 . 1 1 59 59 SER N N 71 113.800 113.800 114.715 -0.915 17914 647 1 4 . 1 1 59 59 SER C C 71 175.900 175.900 173.893 2.007 17914 648 1 4 . 1 1 59 59 SER CA C 71 56.170 56.170 59.641 -3.471 17914 649 1 5 . 1 1 2 2 GLY N N 14 108.800 108.800 110.159 -1.359 17914 650 1 5 . 1 1 2 2 GLY C C 14 174.100 174.100 175.965 -1.865 17914 651 1 5 . 1 1 2 2 GLY CA C 14 44.790 44.790 47.875 -3.085 17914 652 1 5 . 1 1 3 3 THR N N 15 110.500 110.500 116.832 -6.332 17914 653 1 5 . 1 1 3 3 THR C C 15 176.200 176.200 176.198 0.002 17914 654 1 5 . 1 1 3 3 THR CA C 15 60.370 60.370 66.716 -6.346 17914 655 1 5 . 1 1 4 4 THR N N 16 110.400 110.400 118.909 -8.509 17914 656 1 5 . 1 1 4 4 THR CA C 16 62.400 62.400 66.341 -3.941 17914 657 1 5 . 1 1 5 5 LEU N N 17 120.600 120.600 120.565 0.035 17914 658 1 5 . 1 1 5 5 LEU C C 17 173.400 173.400 178.598 -5.198 17914 659 1 5 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.284 -1.924 17914 660 1 5 . 1 1 6 6 VAL N N 18 115.800 115.800 120.090 -4.290 17914 661 1 5 . 1 1 6 6 VAL CA C 18 63.000 63.000 66.522 -3.522 17914 662 1 5 . 1 1 7 7 ALA N N 19 124.100 124.100 121.897 2.203 17914 663 1 5 . 1 1 7 7 ALA C C 19 172.500 172.500 179.568 -7.068 17914 664 1 5 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.678 -1.768 17914 665 1 5 . 1 1 9 9 SER N N 21 113.000 113.000 115.465 -2.465 17914 666 1 5 . 1 1 9 9 SER C C 21 176.900 176.900 177.280 -0.380 17914 667 1 5 . 1 1 9 9 SER CA C 21 58.730 58.730 61.624 -2.894 17914 668 1 5 . 1 1 10 10 SER N N 22 114.700 114.700 118.465 -3.765 17914 669 1 5 . 1 1 10 10 SER C C 22 175.900 175.900 176.128 -0.228 17914 670 1 5 . 1 1 10 10 SER CA C 22 56.040 56.040 61.200 -5.160 17914 671 1 5 . 1 1 11 11 PHE N N 23 117.400 117.400 119.537 -2.137 17914 672 1 5 . 1 1 11 11 PHE C C 23 174.000 174.000 175.693 -1.693 17914 673 1 5 . 1 1 11 11 PHE CA C 23 55.850 55.850 57.291 -1.441 17914 674 1 5 . 1 1 12 12 THR N N 24 115.600 115.600 118.108 -2.508 17914 675 1 5 . 1 1 12 12 THR C C 24 175.800 175.800 173.631 2.169 17914 676 1 5 . 1 1 12 12 THR CA C 24 64.650 64.650 67.967 -3.317 17914 677 1 5 . 1 1 14 14 VAL N N 26 113.300 113.300 116.745 -3.445 17914 678 1 5 . 1 1 14 14 VAL C C 26 173.900 173.900 177.876 -3.976 17914 679 1 5 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.719 -2.529 17914 680 1 5 . 1 1 15 15 LEU N N 27 118.900 118.900 121.230 -2.330 17914 681 1 5 . 1 1 15 15 LEU C C 27 174.400 174.400 178.167 -3.767 17914 682 1 5 . 1 1 15 15 LEU CA C 27 55.680 55.680 58.016 -2.336 17914 683 1 5 . 1 1 16 16 VAL N N 28 114.200 114.200 119.192 -4.992 17914 684 1 5 . 1 1 16 16 VAL C C 28 177.100 177.100 178.185 -1.085 17914 685 1 5 . 1 1 16 16 VAL CA C 28 64.900 64.900 66.731 -1.831 17914 686 1 5 . 1 1 17 17 ILE N N 29 118.400 118.400 116.203 2.197 17914 687 1 5 . 1 1 17 17 ILE C C 29 173.900 173.900 177.449 -3.549 17914 688 1 5 . 1 1 17 17 ILE CA C 29 63.300 63.300 64.491 -1.191 17914 689 1 5 . 1 1 18 18 LEU N N 30 118.800 118.800 121.522 -2.722 17914 690 1 5 . 1 1 18 18 LEU C C 30 173.700 173.700 178.714 -5.014 17914 691 1 5 . 1 1 18 18 LEU CA C 30 56.750 56.750 58.097 -1.347 17914 692 1 5 . 1 1 19 19 LEU N N 31 118.600 118.600 117.309 1.291 17914 693 1 5 . 1 1 19 19 LEU C C 31 173.500 173.500 179.162 -5.662 17914 694 1 5 . 1 1 19 19 LEU CA C 31 54.580 54.580 57.363 -2.783 17914 695 1 5 . 1 1 20 20 GLY N N 32 108.100 108.100 107.486 0.614 17914 696 1 5 . 1 1 20 20 GLY C C 32 173.800 173.800 175.890 -2.090 17914 697 1 5 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.231 -1.971 17914 698 1 5 . 1 1 21 21 VAL N N 33 121.100 121.100 121.058 0.042 17914 699 1 5 . 1 1 21 21 VAL C C 33 175.400 175.400 177.620 -2.220 17914 700 1 5 . 1 1 21 21 VAL CA C 33 65.000 65.000 65.742 -0.742 17914 701 1 5 . 1 1 22 22 VAL N N 34 121.900 121.900 117.729 4.171 17914 702 1 5 . 1 1 22 22 VAL C C 34 174.600 174.600 178.003 -3.403 17914 703 1 5 . 1 1 22 22 VAL CA C 34 65.330 65.330 65.697 -0.367 17914 704 1 5 . 1 1 23 23 GLY N N 35 108.000 108.000 107.984 0.016 17914 705 1 5 . 1 1 23 23 GLY C C 35 173.800 173.800 177.073 -3.273 17914 706 1 5 . 1 1 23 23 GLY CA C 35 45.260 45.260 47.075 -1.815 17914 707 1 5 . 1 1 24 24 LEU N N 36 120.300 120.300 122.027 -1.727 17914 708 1 5 . 1 1 24 24 LEU C C 36 176.000 176.000 179.275 -3.275 17914 709 1 5 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.466 -1.466 17914 710 1 5 . 1 1 25 25 SER N N 37 117.300 117.300 114.403 2.897 17914 711 1 5 . 1 1 25 25 SER C C 37 177.300 177.300 176.536 0.764 17914 712 1 5 . 1 1 25 25 SER CA C 37 59.640 59.640 61.226 -1.586 17914 713 1 5 . 1 1 26 26 ALA N N 38 125.400 125.400 125.601 -0.201 17914 714 1 5 . 1 1 26 26 ALA C C 38 173.000 173.000 179.393 -6.393 17914 715 1 5 . 1 1 26 26 ALA CA C 38 53.130 53.130 54.785 -1.655 17914 716 1 5 . 1 1 27 27 LEU N N 39 117.400 117.400 115.216 2.184 17914 717 1 5 . 1 1 27 27 LEU C C 39 178.100 178.100 178.093 0.007 17914 718 1 5 . 1 1 27 27 LEU CA C 39 55.300 55.300 56.643 -1.343 17914 719 1 5 . 1 1 28 28 THR N N 40 103.800 103.800 110.797 -6.997 17914 720 1 5 . 1 1 28 28 THR C C 40 173.100 173.100 174.869 -1.769 17914 721 1 5 . 1 1 28 28 THR CA C 40 59.700 59.700 62.133 -2.433 17914 722 1 5 . 1 1 29 29 GLY N N 41 109.800 109.800 110.238 -0.438 17914 723 1 5 . 1 1 29 29 GLY C C 41 172.600 172.600 173.284 -0.684 17914 724 1 5 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.484 0.975 17914 725 1 5 . 1 1 30 30 TYR N N 42 118.700 118.700 121.388 -2.688 17914 726 1 5 . 1 1 30 30 TYR C C 42 172.800 172.800 177.310 -4.510 17914 727 1 5 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.776 -2.175 17914 728 1 5 . 1 1 31 31 LEU N N 43 120.900 120.900 124.654 -3.754 17914 729 1 5 . 1 1 31 31 LEU C C 43 173.600 173.600 177.715 -4.115 17914 730 1 5 . 1 1 31 31 LEU CA C 43 55.750 55.750 57.906 -2.156 17914 731 1 5 . 1 1 32 32 ASP N N 44 116.400 116.400 116.720 -0.320 17914 732 1 5 . 1 1 32 32 ASP C C 44 181.400 181.400 178.445 2.955 17914 733 1 5 . 1 1 32 32 ASP CA C 44 54.400 54.400 56.614 -2.213 17914 734 1 5 . 1 1 33 33 TYR N N 45 116.900 116.900 121.218 -4.318 17914 735 1 5 . 1 1 33 33 TYR C C 45 174.100 174.100 176.517 -2.417 17914 736 1 5 . 1 1 33 33 TYR CA C 45 55.800 55.800 59.565 -3.765 17914 737 1 5 . 1 1 34 34 VAL N N 46 114.700 114.700 114.508 0.192 17914 738 1 5 . 1 1 34 34 VAL C C 46 175.800 175.800 175.864 -0.064 17914 739 1 5 . 1 1 34 34 VAL CA C 46 60.390 60.390 63.395 -3.005 17914 740 1 5 . 1 1 35 35 LEU N N 47 120.200 120.200 121.898 -1.698 17914 741 1 5 . 1 1 35 35 LEU C C 47 175.800 175.800 178.561 -2.761 17914 742 1 5 . 1 1 35 35 LEU CA C 47 56.350 56.350 56.821 -0.471 17914 743 1 5 . 1 1 36 36 LEU N N 48 116.300 116.300 120.677 -4.377 17914 744 1 5 . 1 1 36 36 LEU C C 48 176.700 176.700 176.282 0.418 17914 745 1 5 . 1 1 36 36 LEU CA C 48 57.160 57.160 60.118 -2.958 17914 746 1 5 . 1 1 38 38 ALA N N 50 116.400 116.400 122.016 -5.616 17914 747 1 5 . 1 1 38 38 ALA C C 50 181.300 181.300 179.876 1.424 17914 748 1 5 . 1 1 38 38 ALA CA C 50 54.670 54.670 55.203 -0.533 17914 749 1 5 . 1 1 39 39 LEU N N 51 117.300 117.300 118.884 -1.584 17914 750 1 5 . 1 1 39 39 LEU C C 51 175.500 175.500 178.502 -3.002 17914 751 1 5 . 1 1 39 39 LEU CA C 51 55.870 55.870 57.240 -1.370 17914 752 1 5 . 1 1 40 40 ALA N N 52 120.300 120.300 122.557 -2.257 17914 753 1 5 . 1 1 40 40 ALA C C 52 174.300 174.300 179.963 -5.663 17914 754 1 5 . 1 1 40 40 ALA CA C 52 53.860 53.860 55.041 -1.181 17914 755 1 5 . 1 1 41 41 ILE N N 53 117.500 117.500 119.352 -1.852 17914 756 1 5 . 1 1 41 41 ILE C C 53 175.000 175.000 177.710 -2.710 17914 757 1 5 . 1 1 41 41 ILE CA C 53 64.650 64.650 64.649 0.001 17914 758 1 5 . 1 1 42 42 PHE N N 54 119.100 119.100 120.925 -1.825 17914 759 1 5 . 1 1 42 42 PHE C C 54 178.700 178.700 177.639 1.061 17914 760 1 5 . 1 1 42 42 PHE CA C 54 59.800 59.800 62.163 -2.364 17914 761 1 5 . 1 1 43 43 ILE N N 55 120.900 120.900 119.102 1.798 17914 762 1 5 . 1 1 43 43 ILE C C 55 173.300 173.300 177.748 -4.448 17914 763 1 5 . 1 1 43 43 ILE CA C 55 63.460 63.460 65.313 -1.853 17914 764 1 5 . 1 1 44 44 GLY N N 56 109.200 109.200 107.941 1.259 17914 765 1 5 . 1 1 44 44 GLY C C 56 172.700 172.700 176.002 -3.302 17914 766 1 5 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.033 -1.133 17914 767 1 5 . 1 1 45 45 LEU N N 57 120.100 120.100 121.170 -1.070 17914 768 1 5 . 1 1 45 45 LEU C C 57 176.000 176.000 178.290 -2.290 17914 769 1 5 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.039 -0.819 17914 770 1 5 . 1 1 46 46 THR N N 58 116.700 116.700 116.199 0.501 17914 771 1 5 . 1 1 46 46 THR C C 58 175.000 175.000 177.154 -2.154 17914 772 1 5 . 1 1 46 46 THR CA C 58 64.610 64.610 67.043 -2.433 17914 773 1 5 . 1 1 47 47 ILE N N 59 120.500 120.500 119.479 1.021 17914 774 1 5 . 1 1 47 47 ILE C C 59 175.300 175.300 176.994 -1.694 17914 775 1 5 . 1 1 47 47 ILE CA C 59 65.200 65.200 64.504 0.696 17914 776 1 5 . 1 1 48 48 TYR N N 60 120.100 120.100 120.771 -0.671 17914 777 1 5 . 1 1 48 48 TYR C C 60 175.200 175.200 176.415 -1.215 17914 778 1 5 . 1 1 48 48 TYR CA C 60 59.300 59.300 61.381 -2.081 17914 779 1 5 . 1 1 49 49 ALA N N 61 122.500 122.500 122.285 0.215 17914 780 1 5 . 1 1 49 49 ALA C C 61 177.500 177.500 179.462 -1.962 17914 781 1 5 . 1 1 49 49 ALA CA C 61 53.220 53.220 55.493 -2.273 17914 782 1 5 . 1 1 50 50 ILE N N 62 118.500 118.500 117.756 0.744 17914 783 1 5 . 1 1 50 50 ILE C C 62 173.500 173.500 178.185 -4.685 17914 784 1 5 . 1 1 50 50 ILE CA C 62 64.110 64.110 62.373 1.737 17914 785 1 5 . 1 1 51 51 GLN N N 63 119.700 119.700 120.649 -0.949 17914 786 1 5 . 1 1 51 51 GLN C C 63 176.100 176.100 177.709 -1.609 17914 787 1 5 . 1 1 51 51 GLN CA C 63 56.500 56.500 58.942 -2.442 17914 788 1 5 . 1 1 52 52 ARG N N 64 118.900 118.900 119.690 -0.790 17914 789 1 5 . 1 1 52 52 ARG C C 64 176.200 176.200 178.769 -2.569 17914 790 1 5 . 1 1 52 52 ARG CA C 64 56.840 56.840 58.724 -1.883 17914 791 1 5 . 1 1 53 53 LYS N N 65 120.200 120.200 117.914 2.286 17914 792 1 5 . 1 1 53 53 LYS C C 65 176.100 176.100 178.540 -2.440 17914 793 1 5 . 1 1 53 53 LYS CA C 65 56.100 56.100 58.142 -2.042 17914 794 1 5 . 1 1 54 54 ARG N N 66 118.500 118.500 118.806 -0.306 17914 795 1 5 . 1 1 54 54 ARG C C 66 173.600 173.600 178.565 -4.965 17914 796 1 5 . 1 1 54 54 ARG CA C 66 57.500 57.500 57.957 -0.457 17914 797 1 5 . 1 1 55 55 GLN N N 67 117.900 117.900 117.561 0.339 17914 798 1 5 . 1 1 55 55 GLN C C 67 177.500 177.500 177.451 0.049 17914 799 1 5 . 1 1 55 55 GLN CA C 67 55.600 55.600 58.383 -2.783 17914 800 1 5 . 1 1 56 56 ALA C C 68 51.630 51.630 177.168 -125.538 17914 801 1 5 . 1 1 56 56 ALA CA C 68 123.900 123.900 54.497 69.403 17914 802 1 5 . 1 1 57 57 ASP N N 69 105.000 105.000 115.395 -10.395 17914 803 1 5 . 1 1 57 57 ASP C C 69 53.960 53.960 174.549 -120.589 17914 804 1 5 . 1 1 57 57 ASP CA C 69 118.900 118.900 54.634 64.266 17914 805 1 5 . 1 1 58 58 ALA N N 70 125.500 125.500 120.894 4.606 17914 806 1 5 . 1 1 58 58 ALA C C 70 175.600 175.600 176.505 -0.905 17914 807 1 5 . 1 1 58 58 ALA CA C 70 50.600 50.600 52.180 -1.580 17914 808 1 5 . 1 1 59 59 SER N N 71 113.800 113.800 117.615 -3.815 17914 809 1 5 . 1 1 59 59 SER C C 71 175.900 175.900 175.348 0.552 17914 810 1 5 . 1 1 59 59 SER CA C 71 56.170 56.170 60.014 -3.845 17914 811 1 6 . 1 1 2 2 GLY N N 14 108.800 108.800 109.571 -0.771 17914 812 1 6 . 1 1 2 2 GLY C C 14 174.100 174.100 175.833 -1.733 17914 813 1 6 . 1 1 2 2 GLY CA C 14 44.790 44.790 46.821 -2.031 17914 814 1 6 . 1 1 3 3 THR N N 15 110.500 110.500 112.363 -1.863 17914 815 1 6 . 1 1 3 3 THR C C 15 176.200 176.200 176.377 -0.177 17914 816 1 6 . 1 1 3 3 THR CA C 15 60.370 60.370 64.766 -4.396 17914 817 1 6 . 1 1 4 4 THR N N 16 110.400 110.400 114.352 -3.952 17914 818 1 6 . 1 1 4 4 THR CA C 16 62.400 62.400 63.831 -1.431 17914 819 1 6 . 1 1 5 5 LEU N N 17 120.600 120.600 123.713 -3.113 17914 820 1 6 . 1 1 5 5 LEU C C 17 173.400 173.400 177.817 -4.417 17914 821 1 6 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.479 -2.119 17914 822 1 6 . 1 1 6 6 VAL N N 18 115.800 115.800 117.773 -1.973 17914 823 1 6 . 1 1 6 6 VAL CA C 18 63.000 63.000 65.281 -2.280 17914 824 1 6 . 1 1 7 7 ALA N N 19 124.100 124.100 120.887 3.213 17914 825 1 6 . 1 1 7 7 ALA C C 19 172.500 172.500 178.841 -6.341 17914 826 1 6 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.268 -1.358 17914 827 1 6 . 1 1 9 9 SER N N 21 113.000 113.000 113.518 -0.518 17914 828 1 6 . 1 1 9 9 SER C C 21 176.900 176.900 176.732 0.168 17914 829 1 6 . 1 1 9 9 SER CA C 21 58.730 58.730 60.671 -1.941 17914 830 1 6 . 1 1 10 10 SER N N 22 114.700 114.700 118.587 -3.887 17914 831 1 6 . 1 1 10 10 SER C C 22 175.900 175.900 175.871 0.029 17914 832 1 6 . 1 1 10 10 SER CA C 22 56.040 56.040 60.523 -4.483 17914 833 1 6 . 1 1 11 11 PHE N N 23 117.400 117.400 118.852 -1.452 17914 834 1 6 . 1 1 11 11 PHE C C 23 174.000 174.000 177.036 -3.036 17914 835 1 6 . 1 1 11 11 PHE CA C 23 55.850 55.850 59.165 -3.315 17914 836 1 6 . 1 1 12 12 THR N N 24 115.600 115.600 117.090 -1.490 17914 837 1 6 . 1 1 12 12 THR C C 24 175.800 175.800 174.383 1.417 17914 838 1 6 . 1 1 12 12 THR CA C 24 64.650 64.650 68.959 -4.309 17914 839 1 6 . 1 1 14 14 VAL N N 26 113.300 113.300 117.695 -4.395 17914 840 1 6 . 1 1 14 14 VAL C C 26 173.900 173.900 178.329 -4.429 17914 841 1 6 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.822 -2.632 17914 842 1 6 . 1 1 15 15 LEU N N 27 118.900 118.900 122.200 -3.300 17914 843 1 6 . 1 1 15 15 LEU C C 27 174.400 174.400 178.425 -4.025 17914 844 1 6 . 1 1 15 15 LEU CA C 27 55.680 55.680 58.251 -2.571 17914 845 1 6 . 1 1 16 16 VAL N N 28 114.200 114.200 119.694 -5.494 17914 846 1 6 . 1 1 16 16 VAL C C 28 177.100 177.100 178.120 -1.020 17914 847 1 6 . 1 1 16 16 VAL CA C 28 64.900 64.900 66.685 -1.785 17914 848 1 6 . 1 1 17 17 ILE N N 29 118.400 118.400 120.064 -1.664 17914 849 1 6 . 1 1 17 17 ILE C C 29 173.900 173.900 177.674 -3.774 17914 850 1 6 . 1 1 17 17 ILE CA C 29 63.300 63.300 63.045 0.255 17914 851 1 6 . 1 1 18 18 LEU N N 30 118.800 118.800 121.907 -3.107 17914 852 1 6 . 1 1 18 18 LEU C C 30 173.700 173.700 178.872 -5.172 17914 853 1 6 . 1 1 18 18 LEU CA C 30 56.750 56.750 58.291 -1.541 17914 854 1 6 . 1 1 19 19 LEU N N 31 118.600 118.600 117.925 0.675 17914 855 1 6 . 1 1 19 19 LEU C C 31 173.500 173.500 179.196 -5.696 17914 856 1 6 . 1 1 19 19 LEU CA C 31 54.580 54.580 57.729 -3.149 17914 857 1 6 . 1 1 20 20 GLY N N 32 108.100 108.100 107.772 0.328 17914 858 1 6 . 1 1 20 20 GLY C C 32 173.800 173.800 176.298 -2.498 17914 859 1 6 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.368 -2.108 17914 860 1 6 . 1 1 21 21 VAL N N 33 121.100 121.100 122.447 -1.347 17914 861 1 6 . 1 1 21 21 VAL C C 33 175.400 175.400 178.035 -2.635 17914 862 1 6 . 1 1 21 21 VAL CA C 33 65.000 65.000 66.210 -1.210 17914 863 1 6 . 1 1 22 22 VAL N N 34 121.900 121.900 119.352 2.548 17914 864 1 6 . 1 1 22 22 VAL C C 34 174.600 174.600 178.450 -3.850 17914 865 1 6 . 1 1 22 22 VAL CA C 34 65.330 65.330 65.649 -0.319 17914 866 1 6 . 1 1 23 23 GLY N N 35 108.000 108.000 108.133 -0.133 17914 867 1 6 . 1 1 23 23 GLY C C 35 173.800 173.800 176.878 -3.078 17914 868 1 6 . 1 1 23 23 GLY CA C 35 45.260 45.260 47.181 -1.921 17914 869 1 6 . 1 1 24 24 LEU N N 36 120.300 120.300 122.157 -1.857 17914 870 1 6 . 1 1 24 24 LEU C C 36 176.000 176.000 178.909 -2.909 17914 871 1 6 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.111 -1.111 17914 872 1 6 . 1 1 25 25 SER N N 37 117.300 117.300 114.651 2.649 17914 873 1 6 . 1 1 25 25 SER C C 37 177.300 177.300 176.746 0.554 17914 874 1 6 . 1 1 25 25 SER CA C 37 59.640 59.640 61.485 -1.845 17914 875 1 6 . 1 1 26 26 ALA N N 38 125.400 125.400 125.483 -0.083 17914 876 1 6 . 1 1 26 26 ALA C C 38 173.000 173.000 179.315 -6.315 17914 877 1 6 . 1 1 26 26 ALA CA C 38 53.130 53.130 54.785 -1.655 17914 878 1 6 . 1 1 27 27 LEU N N 39 117.400 117.400 117.349 0.051 17914 879 1 6 . 1 1 27 27 LEU C C 39 178.100 178.100 177.783 0.317 17914 880 1 6 . 1 1 27 27 LEU CA C 39 55.300 55.300 56.972 -1.672 17914 881 1 6 . 1 1 28 28 THR N N 40 103.800 103.800 107.701 -3.901 17914 882 1 6 . 1 1 28 28 THR C C 40 173.100 173.100 175.610 -2.510 17914 883 1 6 . 1 1 28 28 THR CA C 40 59.700 59.700 61.623 -1.923 17914 884 1 6 . 1 1 29 29 GLY N N 41 109.800 109.800 110.467 -0.667 17914 885 1 6 . 1 1 29 29 GLY C C 41 172.600 172.600 173.384 -0.784 17914 886 1 6 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.638 0.822 17914 887 1 6 . 1 1 30 30 TYR N N 42 118.700 118.700 121.982 -3.282 17914 888 1 6 . 1 1 30 30 TYR C C 42 172.800 172.800 177.533 -4.733 17914 889 1 6 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.530 -1.930 17914 890 1 6 . 1 1 31 31 LEU N N 43 120.900 120.900 124.035 -3.135 17914 891 1 6 . 1 1 31 31 LEU C C 43 173.600 173.600 177.715 -4.115 17914 892 1 6 . 1 1 31 31 LEU CA C 43 55.750 55.750 57.768 -2.018 17914 893 1 6 . 1 1 32 32 ASP N N 44 116.400 116.400 117.264 -0.864 17914 894 1 6 . 1 1 32 32 ASP C C 44 181.400 181.400 178.364 3.036 17914 895 1 6 . 1 1 32 32 ASP CA C 44 54.400 54.400 56.180 -1.780 17914 896 1 6 . 1 1 33 33 TYR N N 45 116.900 116.900 119.642 -2.742 17914 897 1 6 . 1 1 33 33 TYR C C 45 174.100 174.100 176.308 -2.208 17914 898 1 6 . 1 1 33 33 TYR CA C 45 55.800 55.800 59.556 -3.756 17914 899 1 6 . 1 1 34 34 VAL N N 46 114.700 114.700 119.053 -4.353 17914 900 1 6 . 1 1 34 34 VAL C C 46 175.800 175.800 175.577 0.223 17914 901 1 6 . 1 1 34 34 VAL CA C 46 60.390 60.390 62.229 -1.839 17914 902 1 6 . 1 1 35 35 LEU N N 47 120.200 120.200 121.120 -0.920 17914 903 1 6 . 1 1 35 35 LEU C C 47 175.800 175.800 178.435 -2.635 17914 904 1 6 . 1 1 35 35 LEU CA C 47 56.350 56.350 57.145 -0.795 17914 905 1 6 . 1 1 36 36 LEU N N 48 116.300 116.300 120.749 -4.449 17914 906 1 6 . 1 1 36 36 LEU C C 48 176.700 176.700 176.477 0.223 17914 907 1 6 . 1 1 36 36 LEU CA C 48 57.160 57.160 60.583 -3.423 17914 908 1 6 . 1 1 38 38 ALA N N 50 116.400 116.400 121.929 -5.529 17914 909 1 6 . 1 1 38 38 ALA C C 50 181.300 181.300 180.144 1.156 17914 910 1 6 . 1 1 38 38 ALA CA C 50 54.670 54.670 55.179 -0.509 17914 911 1 6 . 1 1 39 39 LEU N N 51 117.300 117.300 118.269 -0.969 17914 912 1 6 . 1 1 39 39 LEU C C 51 175.500 175.500 179.159 -3.659 17914 913 1 6 . 1 1 39 39 LEU CA C 51 55.870 55.870 57.639 -1.769 17914 914 1 6 . 1 1 40 40 ALA N N 52 120.300 120.300 122.525 -2.225 17914 915 1 6 . 1 1 40 40 ALA C C 52 174.300 174.300 179.872 -5.572 17914 916 1 6 . 1 1 40 40 ALA CA C 52 53.860 53.860 54.953 -1.093 17914 917 1 6 . 1 1 41 41 ILE N N 53 117.500 117.500 118.975 -1.475 17914 918 1 6 . 1 1 41 41 ILE C C 53 175.000 175.000 177.634 -2.634 17914 919 1 6 . 1 1 41 41 ILE CA C 53 64.650 64.650 65.077 -0.427 17914 920 1 6 . 1 1 42 42 PHE N N 54 119.100 119.100 118.049 1.051 17914 921 1 6 . 1 1 42 42 PHE C C 54 178.700 178.700 177.774 0.926 17914 922 1 6 . 1 1 42 42 PHE CA C 54 59.800 59.800 62.148 -2.348 17914 923 1 6 . 1 1 43 43 ILE N N 55 120.900 120.900 119.908 0.992 17914 924 1 6 . 1 1 43 43 ILE C C 55 173.300 173.300 178.225 -4.925 17914 925 1 6 . 1 1 43 43 ILE CA C 55 63.460 63.460 64.966 -1.506 17914 926 1 6 . 1 1 44 44 GLY N N 56 109.200 109.200 108.036 1.164 17914 927 1 6 . 1 1 44 44 GLY C C 56 172.700 172.700 176.091 -3.391 17914 928 1 6 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.141 -1.240 17914 929 1 6 . 1 1 45 45 LEU N N 57 120.100 120.100 120.969 -0.869 17914 930 1 6 . 1 1 45 45 LEU C C 57 176.000 176.000 178.516 -2.516 17914 931 1 6 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.121 -0.901 17914 932 1 6 . 1 1 46 46 THR N N 58 116.700 116.700 116.566 0.134 17914 933 1 6 . 1 1 46 46 THR C C 58 175.000 175.000 177.500 -2.500 17914 934 1 6 . 1 1 46 46 THR CA C 58 64.610 64.610 66.830 -2.220 17914 935 1 6 . 1 1 47 47 ILE N N 59 120.500 120.500 121.325 -0.825 17914 936 1 6 . 1 1 47 47 ILE C C 59 175.300 175.300 177.643 -2.343 17914 937 1 6 . 1 1 47 47 ILE CA C 59 65.200 65.200 62.725 2.475 17914 938 1 6 . 1 1 48 48 TYR N N 60 120.100 120.100 120.778 -0.678 17914 939 1 6 . 1 1 48 48 TYR C C 60 175.200 175.200 176.623 -1.423 17914 940 1 6 . 1 1 48 48 TYR CA C 60 59.300 59.300 61.618 -2.318 17914 941 1 6 . 1 1 49 49 ALA N N 61 122.500 122.500 121.779 0.721 17914 942 1 6 . 1 1 49 49 ALA C C 61 177.500 177.500 179.439 -1.939 17914 943 1 6 . 1 1 49 49 ALA CA C 61 53.220 53.220 55.049 -1.829 17914 944 1 6 . 1 1 50 50 ILE N N 62 118.500 118.500 117.263 1.237 17914 945 1 6 . 1 1 50 50 ILE C C 62 173.500 173.500 177.815 -4.315 17914 946 1 6 . 1 1 50 50 ILE CA C 62 64.110 64.110 63.704 0.406 17914 947 1 6 . 1 1 51 51 GLN N N 63 119.700 119.700 119.611 0.089 17914 948 1 6 . 1 1 51 51 GLN C C 63 176.100 176.100 178.016 -1.916 17914 949 1 6 . 1 1 51 51 GLN CA C 63 56.500 56.500 59.197 -2.697 17914 950 1 6 . 1 1 52 52 ARG N N 64 118.900 118.900 119.456 -0.556 17914 951 1 6 . 1 1 52 52 ARG C C 64 176.200 176.200 178.420 -2.220 17914 952 1 6 . 1 1 52 52 ARG CA C 64 56.840 56.840 58.883 -2.043 17914 953 1 6 . 1 1 53 53 LYS N N 65 120.200 120.200 118.308 1.892 17914 954 1 6 . 1 1 53 53 LYS C C 65 176.100 176.100 177.911 -1.811 17914 955 1 6 . 1 1 53 53 LYS CA C 65 56.100 56.100 58.282 -2.182 17914 956 1 6 . 1 1 54 54 ARG N N 66 118.500 118.500 117.935 0.565 17914 957 1 6 . 1 1 54 54 ARG C C 66 173.600 173.600 178.524 -4.924 17914 958 1 6 . 1 1 54 54 ARG CA C 66 57.500 57.500 58.369 -0.869 17914 959 1 6 . 1 1 55 55 GLN N N 67 117.900 117.900 115.696 2.204 17914 960 1 6 . 1 1 55 55 GLN C C 67 177.500 177.500 177.686 -0.186 17914 961 1 6 . 1 1 55 55 GLN CA C 67 55.600 55.600 57.581 -1.981 17914 962 1 6 . 1 1 56 56 ALA C C 68 51.630 51.630 177.024 -125.394 17914 963 1 6 . 1 1 56 56 ALA CA C 68 123.900 123.900 51.809 72.091 17914 964 1 6 . 1 1 57 57 ASP N N 69 105.000 105.000 122.125 -17.125 17914 965 1 6 . 1 1 57 57 ASP C C 69 53.960 53.960 177.976 -124.016 17914 966 1 6 . 1 1 57 57 ASP CA C 69 118.900 118.900 55.007 63.893 17914 967 1 6 . 1 1 58 58 ALA N N 70 125.500 125.500 123.134 2.366 17914 968 1 6 . 1 1 58 58 ALA C C 70 175.600 175.600 177.503 -1.903 17914 969 1 6 . 1 1 58 58 ALA CA C 70 50.600 50.600 53.616 -3.016 17914 970 1 6 . 1 1 59 59 SER N N 71 113.800 113.800 114.235 -0.435 17914 971 1 6 . 1 1 59 59 SER C C 71 175.900 175.900 172.596 3.304 17914 972 1 6 . 1 1 59 59 SER CA C 71 56.170 56.170 58.018 -1.848 17914 973 1 7 . 1 1 2 2 GLY N N 14 108.800 108.800 109.756 -0.956 17914 974 1 7 . 1 1 2 2 GLY C C 14 174.100 174.100 175.403 -1.303 17914 975 1 7 . 1 1 2 2 GLY CA C 14 44.790 44.790 46.670 -1.880 17914 976 1 7 . 1 1 3 3 THR N N 15 110.500 110.500 117.755 -7.255 17914 977 1 7 . 1 1 3 3 THR C C 15 176.200 176.200 176.682 -0.482 17914 978 1 7 . 1 1 3 3 THR CA C 15 60.370 60.370 66.376 -6.006 17914 979 1 7 . 1 1 4 4 THR N N 16 110.400 110.400 115.703 -5.303 17914 980 1 7 . 1 1 4 4 THR CA C 16 62.400 62.400 65.314 -2.914 17914 981 1 7 . 1 1 5 5 LEU N N 17 120.600 120.600 122.538 -1.938 17914 982 1 7 . 1 1 5 5 LEU C C 17 173.400 173.400 178.599 -5.199 17914 983 1 7 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.572 -2.212 17914 984 1 7 . 1 1 6 6 VAL N N 18 115.800 115.800 117.487 -1.687 17914 985 1 7 . 1 1 6 6 VAL CA C 18 63.000 63.000 66.000 -3.000 17914 986 1 7 . 1 1 7 7 ALA N N 19 124.100 124.100 122.339 1.761 17914 987 1 7 . 1 1 7 7 ALA C C 19 172.500 172.500 179.320 -6.820 17914 988 1 7 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.591 -1.681 17914 989 1 7 . 1 1 9 9 SER N N 21 113.000 113.000 113.682 -0.682 17914 990 1 7 . 1 1 9 9 SER C C 21 176.900 176.900 176.557 0.343 17914 991 1 7 . 1 1 9 9 SER CA C 21 58.730 58.730 60.623 -1.893 17914 992 1 7 . 1 1 10 10 SER N N 22 114.700 114.700 118.750 -4.050 17914 993 1 7 . 1 1 10 10 SER C C 22 175.900 175.900 175.981 -0.081 17914 994 1 7 . 1 1 10 10 SER CA C 22 56.040 56.040 61.002 -4.962 17914 995 1 7 . 1 1 11 11 PHE N N 23 117.400 117.400 119.628 -2.228 17914 996 1 7 . 1 1 11 11 PHE C C 23 174.000 174.000 177.096 -3.096 17914 997 1 7 . 1 1 11 11 PHE CA C 23 55.850 55.850 59.289 -3.439 17914 998 1 7 . 1 1 12 12 THR N N 24 115.600 115.600 117.021 -1.421 17914 999 1 7 . 1 1 12 12 THR C C 24 175.800 175.800 174.082 1.718 17914 1000 1 7 . 1 1 12 12 THR CA C 24 64.650 64.650 69.197 -4.547 17914 1001 1 7 . 1 1 14 14 VAL N N 26 113.300 113.300 117.487 -4.187 17914 1002 1 7 . 1 1 14 14 VAL C C 26 173.900 173.900 178.255 -4.355 17914 1003 1 7 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.300 -2.110 17914 1004 1 7 . 1 1 15 15 LEU N N 27 118.900 118.900 122.113 -3.213 17914 1005 1 7 . 1 1 15 15 LEU C C 27 174.400 174.400 178.276 -3.876 17914 1006 1 7 . 1 1 15 15 LEU CA C 27 55.680 55.680 58.125 -2.445 17914 1007 1 7 . 1 1 16 16 VAL N N 28 114.200 114.200 119.719 -5.519 17914 1008 1 7 . 1 1 16 16 VAL C C 28 177.100 177.100 177.405 -0.305 17914 1009 1 7 . 1 1 16 16 VAL CA C 28 64.900 64.900 66.509 -1.609 17914 1010 1 7 . 1 1 17 17 ILE N N 29 118.400 118.400 119.456 -1.056 17914 1011 1 7 . 1 1 17 17 ILE C C 29 173.900 173.900 177.127 -3.227 17914 1012 1 7 . 1 1 17 17 ILE CA C 29 63.300 63.300 64.113 -0.813 17914 1013 1 7 . 1 1 18 18 LEU N N 30 118.800 118.800 121.117 -2.317 17914 1014 1 7 . 1 1 18 18 LEU C C 30 173.700 173.700 178.856 -5.156 17914 1015 1 7 . 1 1 18 18 LEU CA C 30 56.750 56.750 57.877 -1.127 17914 1016 1 7 . 1 1 19 19 LEU N N 31 118.600 118.600 119.757 -1.157 17914 1017 1 7 . 1 1 19 19 LEU C C 31 173.500 173.500 178.888 -5.388 17914 1018 1 7 . 1 1 19 19 LEU CA C 31 54.580 54.580 57.678 -3.098 17914 1019 1 7 . 1 1 20 20 GLY N N 32 108.100 108.100 106.636 1.464 17914 1020 1 7 . 1 1 20 20 GLY C C 32 173.800 173.800 176.155 -2.355 17914 1021 1 7 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.446 -2.186 17914 1022 1 7 . 1 1 21 21 VAL N N 33 121.100 121.100 119.674 1.426 17914 1023 1 7 . 1 1 21 21 VAL C C 33 175.400 175.400 177.821 -2.421 17914 1024 1 7 . 1 1 21 21 VAL CA C 33 65.000 65.000 65.784 -0.784 17914 1025 1 7 . 1 1 22 22 VAL N N 34 121.900 121.900 117.751 4.149 17914 1026 1 7 . 1 1 22 22 VAL C C 34 174.600 174.600 178.148 -3.548 17914 1027 1 7 . 1 1 22 22 VAL CA C 34 65.330 65.330 63.581 1.749 17914 1028 1 7 . 1 1 23 23 GLY N N 35 108.000 108.000 108.964 -0.964 17914 1029 1 7 . 1 1 23 23 GLY C C 35 173.800 173.800 176.658 -2.858 17914 1030 1 7 . 1 1 23 23 GLY CA C 35 45.260 45.260 47.133 -1.873 17914 1031 1 7 . 1 1 24 24 LEU N N 36 120.300 120.300 122.572 -2.272 17914 1032 1 7 . 1 1 24 24 LEU C C 36 176.000 176.000 178.582 -2.582 17914 1033 1 7 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.333 -1.333 17914 1034 1 7 . 1 1 25 25 SER N N 37 117.300 117.300 115.057 2.243 17914 1035 1 7 . 1 1 25 25 SER C C 37 177.300 177.300 176.692 0.608 17914 1036 1 7 . 1 1 25 25 SER CA C 37 59.640 59.640 60.795 -1.155 17914 1037 1 7 . 1 1 26 26 ALA N N 38 125.400 125.400 125.855 -0.455 17914 1038 1 7 . 1 1 26 26 ALA C C 38 173.000 173.000 179.287 -6.287 17914 1039 1 7 . 1 1 26 26 ALA CA C 38 53.130 53.130 54.660 -1.530 17914 1040 1 7 . 1 1 27 27 LEU N N 39 117.400 117.400 117.368 0.032 17914 1041 1 7 . 1 1 27 27 LEU C C 39 178.100 178.100 177.809 0.291 17914 1042 1 7 . 1 1 27 27 LEU CA C 39 55.300 55.300 56.875 -1.575 17914 1043 1 7 . 1 1 28 28 THR N N 40 103.800 103.800 112.643 -8.843 17914 1044 1 7 . 1 1 28 28 THR C C 40 173.100 173.100 175.298 -2.198 17914 1045 1 7 . 1 1 28 28 THR CA C 40 59.700 59.700 62.365 -2.666 17914 1046 1 7 . 1 1 29 29 GLY N N 41 109.800 109.800 109.561 0.239 17914 1047 1 7 . 1 1 29 29 GLY C C 41 172.600 172.600 173.159 -0.559 17914 1048 1 7 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.486 0.974 17914 1049 1 7 . 1 1 30 30 TYR N N 42 118.700 118.700 121.888 -3.188 17914 1050 1 7 . 1 1 30 30 TYR C C 42 172.800 172.800 177.519 -4.719 17914 1051 1 7 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.601 -2.001 17914 1052 1 7 . 1 1 31 31 LEU N N 43 120.900 120.900 123.890 -2.990 17914 1053 1 7 . 1 1 31 31 LEU C C 43 173.600 173.600 177.984 -4.384 17914 1054 1 7 . 1 1 31 31 LEU CA C 43 55.750 55.750 57.569 -1.819 17914 1055 1 7 . 1 1 32 32 ASP N N 44 116.400 116.400 117.936 -1.536 17914 1056 1 7 . 1 1 32 32 ASP C C 44 181.400 181.400 178.167 3.233 17914 1057 1 7 . 1 1 32 32 ASP CA C 44 54.400 54.400 55.941 -1.541 17914 1058 1 7 . 1 1 33 33 TYR N N 45 116.900 116.900 119.318 -2.418 17914 1059 1 7 . 1 1 33 33 TYR C C 45 174.100 174.100 176.143 -2.043 17914 1060 1 7 . 1 1 33 33 TYR CA C 45 55.800 55.800 59.457 -3.657 17914 1061 1 7 . 1 1 34 34 VAL N N 46 114.700 114.700 119.773 -5.073 17914 1062 1 7 . 1 1 34 34 VAL C C 46 175.800 175.800 175.508 0.292 17914 1063 1 7 . 1 1 34 34 VAL CA C 46 60.390 60.390 61.991 -1.601 17914 1064 1 7 . 1 1 35 35 LEU N N 47 120.200 120.200 121.674 -1.474 17914 1065 1 7 . 1 1 35 35 LEU C C 47 175.800 175.800 178.373 -2.573 17914 1066 1 7 . 1 1 35 35 LEU CA C 47 56.350 56.350 57.440 -1.090 17914 1067 1 7 . 1 1 36 36 LEU N N 48 116.300 116.300 120.741 -4.441 17914 1068 1 7 . 1 1 36 36 LEU C C 48 176.700 176.700 176.406 0.294 17914 1069 1 7 . 1 1 36 36 LEU CA C 48 57.160 57.160 60.507 -3.347 17914 1070 1 7 . 1 1 38 38 ALA N N 50 116.400 116.400 122.030 -5.630 17914 1071 1 7 . 1 1 38 38 ALA C C 50 181.300 181.300 180.799 0.501 17914 1072 1 7 . 1 1 38 38 ALA CA C 50 54.670 54.670 55.145 -0.475 17914 1073 1 7 . 1 1 39 39 LEU N N 51 117.300 117.300 118.548 -1.248 17914 1074 1 7 . 1 1 39 39 LEU C C 51 175.500 175.500 179.222 -3.722 17914 1075 1 7 . 1 1 39 39 LEU CA C 51 55.870 55.870 57.257 -1.387 17914 1076 1 7 . 1 1 40 40 ALA N N 52 120.300 120.300 122.475 -2.175 17914 1077 1 7 . 1 1 40 40 ALA C C 52 174.300 174.300 179.927 -5.627 17914 1078 1 7 . 1 1 40 40 ALA CA C 52 53.860 53.860 54.941 -1.081 17914 1079 1 7 . 1 1 41 41 ILE N N 53 117.500 117.500 118.595 -1.095 17914 1080 1 7 . 1 1 41 41 ILE C C 53 175.000 175.000 177.607 -2.607 17914 1081 1 7 . 1 1 41 41 ILE CA C 53 64.650 64.650 65.057 -0.407 17914 1082 1 7 . 1 1 42 42 PHE N N 54 119.100 119.100 118.061 1.039 17914 1083 1 7 . 1 1 42 42 PHE C C 54 178.700 178.700 177.870 0.830 17914 1084 1 7 . 1 1 42 42 PHE CA C 54 59.800 59.800 62.253 -2.453 17914 1085 1 7 . 1 1 43 43 ILE N N 55 120.900 120.900 118.968 1.932 17914 1086 1 7 . 1 1 43 43 ILE C C 55 173.300 173.300 178.440 -5.140 17914 1087 1 7 . 1 1 43 43 ILE CA C 55 63.460 63.460 64.047 -0.587 17914 1088 1 7 . 1 1 44 44 GLY N N 56 109.200 109.200 107.739 1.461 17914 1089 1 7 . 1 1 44 44 GLY C C 56 172.700 172.700 176.492 -3.792 17914 1090 1 7 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.164 -1.264 17914 1091 1 7 . 1 1 45 45 LEU N N 57 120.100 120.100 121.355 -1.255 17914 1092 1 7 . 1 1 45 45 LEU C C 57 176.000 176.000 178.920 -2.920 17914 1093 1 7 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.233 -1.013 17914 1094 1 7 . 1 1 46 46 THR N N 58 116.700 116.700 116.665 0.035 17914 1095 1 7 . 1 1 46 46 THR C C 58 175.000 175.000 177.185 -2.185 17914 1096 1 7 . 1 1 46 46 THR CA C 58 64.610 64.610 67.038 -2.428 17914 1097 1 7 . 1 1 47 47 ILE N N 59 120.500 120.500 121.854 -1.354 17914 1098 1 7 . 1 1 47 47 ILE C C 59 175.300 175.300 177.255 -1.955 17914 1099 1 7 . 1 1 47 47 ILE CA C 59 65.200 65.200 64.646 0.554 17914 1100 1 7 . 1 1 48 48 TYR N N 60 120.100 120.100 120.085 0.015 17914 1101 1 7 . 1 1 48 48 TYR C C 60 175.200 175.200 176.503 -1.303 17914 1102 1 7 . 1 1 48 48 TYR CA C 60 59.300 59.300 61.150 -1.849 17914 1103 1 7 . 1 1 49 49 ALA N N 61 122.500 122.500 122.057 0.443 17914 1104 1 7 . 1 1 49 49 ALA C C 61 177.500 177.500 179.470 -1.970 17914 1105 1 7 . 1 1 49 49 ALA CA C 61 53.220 53.220 55.281 -2.061 17914 1106 1 7 . 1 1 50 50 ILE N N 62 118.500 118.500 118.097 0.403 17914 1107 1 7 . 1 1 50 50 ILE C C 62 173.500 173.500 177.196 -3.696 17914 1108 1 7 . 1 1 50 50 ILE CA C 62 64.110 64.110 63.298 0.812 17914 1109 1 7 . 1 1 51 51 GLN N N 63 119.700 119.700 119.230 0.470 17914 1110 1 7 . 1 1 51 51 GLN C C 63 176.100 176.100 178.110 -2.010 17914 1111 1 7 . 1 1 51 51 GLN CA C 63 56.500 56.500 58.993 -2.493 17914 1112 1 7 . 1 1 52 52 ARG N N 64 118.900 118.900 119.134 -0.234 17914 1113 1 7 . 1 1 52 52 ARG C C 64 176.200 176.200 177.697 -1.497 17914 1114 1 7 . 1 1 52 52 ARG CA C 64 56.840 56.840 60.012 -3.172 17914 1115 1 7 . 1 1 53 53 LYS N N 65 120.200 120.200 117.248 2.952 17914 1116 1 7 . 1 1 53 53 LYS C C 65 176.100 176.100 178.555 -2.455 17914 1117 1 7 . 1 1 53 53 LYS CA C 65 56.100 56.100 58.514 -2.414 17914 1118 1 7 . 1 1 54 54 ARG N N 66 118.500 118.500 118.098 0.402 17914 1119 1 7 . 1 1 54 54 ARG C C 66 173.600 173.600 178.345 -4.745 17914 1120 1 7 . 1 1 54 54 ARG CA C 66 57.500 57.500 58.488 -0.988 17914 1121 1 7 . 1 1 55 55 GLN N N 67 117.900 117.900 115.689 2.211 17914 1122 1 7 . 1 1 55 55 GLN C C 67 177.500 177.500 175.719 1.781 17914 1123 1 7 . 1 1 55 55 GLN CA C 67 55.600 55.600 57.053 -1.454 17914 1124 1 7 . 1 1 56 56 ALA C C 68 51.630 51.630 177.804 -126.174 17914 1125 1 7 . 1 1 56 56 ALA CA C 68 123.900 123.900 52.255 71.645 17914 1126 1 7 . 1 1 57 57 ASP N N 69 105.000 105.000 123.372 -18.372 17914 1127 1 7 . 1 1 57 57 ASP C C 69 53.960 53.960 177.200 -123.240 17914 1128 1 7 . 1 1 57 57 ASP CA C 69 118.900 118.900 56.307 62.593 17914 1129 1 7 . 1 1 58 58 ALA N N 70 125.500 125.500 121.507 3.993 17914 1130 1 7 . 1 1 58 58 ALA C C 70 175.600 175.600 177.254 -1.654 17914 1131 1 7 . 1 1 58 58 ALA CA C 70 50.600 50.600 51.581 -0.981 17914 1132 1 7 . 1 1 59 59 SER N N 71 113.800 113.800 115.307 -1.507 17914 1133 1 7 . 1 1 59 59 SER C C 71 175.900 175.900 173.912 1.988 17914 1134 1 7 . 1 1 59 59 SER CA C 71 56.170 56.170 58.859 -2.689 17914 1135 1 8 . 1 1 2 2 GLY N N 14 108.800 108.800 109.376 -0.576 17914 1136 1 8 . 1 1 2 2 GLY C C 14 174.100 174.100 175.611 -1.511 17914 1137 1 8 . 1 1 2 2 GLY CA C 14 44.790 44.790 46.793 -2.003 17914 1138 1 8 . 1 1 3 3 THR N N 15 110.500 110.500 116.819 -6.319 17914 1139 1 8 . 1 1 3 3 THR C C 15 176.200 176.200 176.594 -0.394 17914 1140 1 8 . 1 1 3 3 THR CA C 15 60.370 60.370 65.836 -5.466 17914 1141 1 8 . 1 1 4 4 THR N N 16 110.400 110.400 117.155 -6.755 17914 1142 1 8 . 1 1 4 4 THR CA C 16 62.400 62.400 65.284 -2.884 17914 1143 1 8 . 1 1 5 5 LEU N N 17 120.600 120.600 123.513 -2.913 17914 1144 1 8 . 1 1 5 5 LEU C C 17 173.400 173.400 177.976 -4.576 17914 1145 1 8 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.597 -2.237 17914 1146 1 8 . 1 1 6 6 VAL N N 18 115.800 115.800 117.278 -1.478 17914 1147 1 8 . 1 1 6 6 VAL CA C 18 63.000 63.000 65.885 -2.885 17914 1148 1 8 . 1 1 7 7 ALA N N 19 124.100 124.100 120.765 3.335 17914 1149 1 8 . 1 1 7 7 ALA C C 19 172.500 172.500 179.003 -6.503 17914 1150 1 8 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.326 -1.416 17914 1151 1 8 . 1 1 9 9 SER N N 21 113.000 113.000 113.223 -0.223 17914 1152 1 8 . 1 1 9 9 SER C C 21 176.900 176.900 176.866 0.034 17914 1153 1 8 . 1 1 9 9 SER CA C 21 58.730 58.730 61.127 -2.397 17914 1154 1 8 . 1 1 10 10 SER N N 22 114.700 114.700 119.059 -4.359 17914 1155 1 8 . 1 1 10 10 SER C C 22 175.900 175.900 175.359 0.541 17914 1156 1 8 . 1 1 10 10 SER CA C 22 56.040 56.040 61.045 -5.005 17914 1157 1 8 . 1 1 11 11 PHE N N 23 117.400 117.400 118.726 -1.326 17914 1158 1 8 . 1 1 11 11 PHE C C 23 174.000 174.000 176.814 -2.814 17914 1159 1 8 . 1 1 11 11 PHE CA C 23 55.850 55.850 59.335 -3.485 17914 1160 1 8 . 1 1 12 12 THR N N 24 115.600 115.600 116.972 -1.372 17914 1161 1 8 . 1 1 12 12 THR C C 24 175.800 175.800 174.051 1.749 17914 1162 1 8 . 1 1 12 12 THR CA C 24 64.650 64.650 69.311 -4.661 17914 1163 1 8 . 1 1 14 14 VAL N N 26 113.300 113.300 117.623 -4.323 17914 1164 1 8 . 1 1 14 14 VAL C C 26 173.900 173.900 178.211 -4.311 17914 1165 1 8 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.347 -2.157 17914 1166 1 8 . 1 1 15 15 LEU N N 27 118.900 118.900 121.659 -2.759 17914 1167 1 8 . 1 1 15 15 LEU C C 27 174.400 174.400 178.146 -3.746 17914 1168 1 8 . 1 1 15 15 LEU CA C 27 55.680 55.680 58.212 -2.532 17914 1169 1 8 . 1 1 16 16 VAL N N 28 114.200 114.200 119.677 -5.477 17914 1170 1 8 . 1 1 16 16 VAL C C 28 177.100 177.100 177.387 -0.287 17914 1171 1 8 . 1 1 16 16 VAL CA C 28 64.900 64.900 66.488 -1.588 17914 1172 1 8 . 1 1 17 17 ILE N N 29 118.400 118.400 119.448 -1.048 17914 1173 1 8 . 1 1 17 17 ILE C C 29 173.900 173.900 177.169 -3.269 17914 1174 1 8 . 1 1 17 17 ILE CA C 29 63.300 63.300 64.131 -0.831 17914 1175 1 8 . 1 1 18 18 LEU N N 30 118.800 118.800 120.968 -2.168 17914 1176 1 8 . 1 1 18 18 LEU C C 30 173.700 173.700 178.887 -5.187 17914 1177 1 8 . 1 1 18 18 LEU CA C 30 56.750 56.750 57.950 -1.200 17914 1178 1 8 . 1 1 19 19 LEU N N 31 118.600 118.600 118.207 0.393 17914 1179 1 8 . 1 1 19 19 LEU C C 31 173.500 173.500 178.940 -5.440 17914 1180 1 8 . 1 1 19 19 LEU CA C 31 54.580 54.580 57.728 -3.148 17914 1181 1 8 . 1 1 20 20 GLY N N 32 108.100 108.100 107.659 0.441 17914 1182 1 8 . 1 1 20 20 GLY C C 32 173.800 173.800 176.066 -2.266 17914 1183 1 8 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.467 -2.207 17914 1184 1 8 . 1 1 21 21 VAL N N 33 121.100 121.100 122.603 -1.503 17914 1185 1 8 . 1 1 21 21 VAL C C 33 175.400 175.400 178.535 -3.135 17914 1186 1 8 . 1 1 21 21 VAL CA C 33 65.000 65.000 66.011 -1.011 17914 1187 1 8 . 1 1 22 22 VAL N N 34 121.900 121.900 120.053 1.847 17914 1188 1 8 . 1 1 22 22 VAL C C 34 174.600 174.600 178.123 -3.523 17914 1189 1 8 . 1 1 22 22 VAL CA C 34 65.330 65.330 65.572 -0.242 17914 1190 1 8 . 1 1 23 23 GLY N N 35 108.000 108.000 107.693 0.307 17914 1191 1 8 . 1 1 23 23 GLY C C 35 173.800 173.800 176.896 -3.096 17914 1192 1 8 . 1 1 23 23 GLY CA C 35 45.260 45.260 47.106 -1.847 17914 1193 1 8 . 1 1 24 24 LEU N N 36 120.300 120.300 122.233 -1.933 17914 1194 1 8 . 1 1 24 24 LEU C C 36 176.000 176.000 179.169 -3.169 17914 1195 1 8 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.435 -1.435 17914 1196 1 8 . 1 1 25 25 SER N N 37 117.300 117.300 115.307 1.993 17914 1197 1 8 . 1 1 25 25 SER C C 37 177.300 177.300 176.308 0.992 17914 1198 1 8 . 1 1 25 25 SER CA C 37 59.640 59.640 61.622 -1.982 17914 1199 1 8 . 1 1 26 26 ALA N N 38 125.400 125.400 125.504 -0.104 17914 1200 1 8 . 1 1 26 26 ALA C C 38 173.000 173.000 179.086 -6.086 17914 1201 1 8 . 1 1 26 26 ALA CA C 38 53.130 53.130 54.843 -1.713 17914 1202 1 8 . 1 1 27 27 LEU N N 39 117.400 117.400 115.750 1.650 17914 1203 1 8 . 1 1 27 27 LEU C C 39 178.100 178.100 178.259 -0.159 17914 1204 1 8 . 1 1 27 27 LEU CA C 39 55.300 55.300 56.809 -1.509 17914 1205 1 8 . 1 1 28 28 THR N N 40 103.800 103.800 107.478 -3.678 17914 1206 1 8 . 1 1 28 28 THR C C 40 173.100 173.100 175.565 -2.465 17914 1207 1 8 . 1 1 28 28 THR CA C 40 59.700 59.700 61.768 -2.068 17914 1208 1 8 . 1 1 29 29 GLY N N 41 109.800 109.800 110.501 -0.701 17914 1209 1 8 . 1 1 29 29 GLY C C 41 172.600 172.600 173.498 -0.898 17914 1210 1 8 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.519 0.941 17914 1211 1 8 . 1 1 30 30 TYR N N 42 118.700 118.700 121.955 -3.255 17914 1212 1 8 . 1 1 30 30 TYR C C 42 172.800 172.800 177.521 -4.721 17914 1213 1 8 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.508 -1.908 17914 1214 1 8 . 1 1 31 31 LEU N N 43 120.900 120.900 124.087 -3.187 17914 1215 1 8 . 1 1 31 31 LEU C C 43 173.600 173.600 178.047 -4.447 17914 1216 1 8 . 1 1 31 31 LEU CA C 43 55.750 55.750 57.571 -1.821 17914 1217 1 8 . 1 1 32 32 ASP N N 44 116.400 116.400 117.887 -1.487 17914 1218 1 8 . 1 1 32 32 ASP C C 44 181.400 181.400 178.208 3.192 17914 1219 1 8 . 1 1 32 32 ASP CA C 44 54.400 54.400 55.966 -1.566 17914 1220 1 8 . 1 1 33 33 TYR N N 45 116.900 116.900 118.857 -1.957 17914 1221 1 8 . 1 1 33 33 TYR C C 45 174.100 174.100 176.125 -2.025 17914 1222 1 8 . 1 1 33 33 TYR CA C 45 55.800 55.800 59.555 -3.755 17914 1223 1 8 . 1 1 34 34 VAL N N 46 114.700 114.700 119.008 -4.308 17914 1224 1 8 . 1 1 34 34 VAL C C 46 175.800 175.800 175.574 0.226 17914 1225 1 8 . 1 1 34 34 VAL CA C 46 60.390 60.390 62.186 -1.796 17914 1226 1 8 . 1 1 35 35 LEU N N 47 120.200 120.200 121.448 -1.248 17914 1227 1 8 . 1 1 35 35 LEU C C 47 175.800 175.800 178.259 -2.459 17914 1228 1 8 . 1 1 35 35 LEU CA C 47 56.350 56.350 57.337 -0.987 17914 1229 1 8 . 1 1 36 36 LEU N N 48 116.300 116.300 120.552 -4.252 17914 1230 1 8 . 1 1 36 36 LEU C C 48 176.700 176.700 176.756 -0.056 17914 1231 1 8 . 1 1 36 36 LEU CA C 48 57.160 57.160 59.908 -2.748 17914 1232 1 8 . 1 1 38 38 ALA N N 50 116.400 116.400 121.936 -5.536 17914 1233 1 8 . 1 1 38 38 ALA C C 50 181.300 181.300 180.157 1.143 17914 1234 1 8 . 1 1 38 38 ALA CA C 50 54.670 54.670 55.184 -0.514 17914 1235 1 8 . 1 1 39 39 LEU N N 51 117.300 117.300 118.234 -0.934 17914 1236 1 8 . 1 1 39 39 LEU C C 51 175.500 175.500 179.175 -3.675 17914 1237 1 8 . 1 1 39 39 LEU CA C 51 55.870 55.870 57.632 -1.762 17914 1238 1 8 . 1 1 40 40 ALA N N 52 120.300 120.300 122.630 -2.330 17914 1239 1 8 . 1 1 40 40 ALA C C 52 174.300 174.300 179.982 -5.682 17914 1240 1 8 . 1 1 40 40 ALA CA C 52 53.860 53.860 55.038 -1.178 17914 1241 1 8 . 1 1 41 41 ILE N N 53 117.500 117.500 118.638 -1.138 17914 1242 1 8 . 1 1 41 41 ILE C C 53 175.000 175.000 177.734 -2.734 17914 1243 1 8 . 1 1 41 41 ILE CA C 53 64.650 64.650 64.659 -0.009 17914 1244 1 8 . 1 1 42 42 PHE N N 54 119.100 119.100 118.318 0.782 17914 1245 1 8 . 1 1 42 42 PHE C C 54 178.700 178.700 178.131 0.569 17914 1246 1 8 . 1 1 42 42 PHE CA C 54 59.800 59.800 62.282 -2.482 17914 1247 1 8 . 1 1 43 43 ILE N N 55 120.900 120.900 120.222 0.678 17914 1248 1 8 . 1 1 43 43 ILE C C 55 173.300 173.300 178.381 -5.081 17914 1249 1 8 . 1 1 43 43 ILE CA C 55 63.460 63.460 65.082 -1.622 17914 1250 1 8 . 1 1 44 44 GLY N N 56 109.200 109.200 108.168 1.032 17914 1251 1 8 . 1 1 44 44 GLY C C 56 172.700 172.700 176.260 -3.560 17914 1252 1 8 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.211 -1.311 17914 1253 1 8 . 1 1 45 45 LEU N N 57 120.100 120.100 121.648 -1.548 17914 1254 1 8 . 1 1 45 45 LEU C C 57 176.000 176.000 179.091 -3.091 17914 1255 1 8 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.496 -1.276 17914 1256 1 8 . 1 1 46 46 THR N N 58 116.700 116.700 115.021 1.679 17914 1257 1 8 . 1 1 46 46 THR C C 58 175.000 175.000 177.530 -2.530 17914 1258 1 8 . 1 1 46 46 THR CA C 58 64.610 64.610 66.403 -1.793 17914 1259 1 8 . 1 1 47 47 ILE N N 59 120.500 120.500 122.434 -1.934 17914 1260 1 8 . 1 1 47 47 ILE C C 59 175.300 175.300 177.669 -2.369 17914 1261 1 8 . 1 1 47 47 ILE CA C 59 65.200 65.200 64.521 0.679 17914 1262 1 8 . 1 1 48 48 TYR N N 60 120.100 120.100 120.568 -0.468 17914 1263 1 8 . 1 1 48 48 TYR C C 60 175.200 175.200 176.789 -1.589 17914 1264 1 8 . 1 1 48 48 TYR CA C 60 59.300 59.300 60.893 -1.593 17914 1265 1 8 . 1 1 49 49 ALA N N 61 122.500 122.500 121.833 0.667 17914 1266 1 8 . 1 1 49 49 ALA C C 61 177.500 177.500 179.425 -1.925 17914 1267 1 8 . 1 1 49 49 ALA CA C 61 53.220 53.220 55.100 -1.880 17914 1268 1 8 . 1 1 50 50 ILE N N 62 118.500 118.500 117.614 0.886 17914 1269 1 8 . 1 1 50 50 ILE C C 62 173.500 173.500 177.437 -3.937 17914 1270 1 8 . 1 1 50 50 ILE CA C 62 64.110 64.110 63.620 0.490 17914 1271 1 8 . 1 1 51 51 GLN N N 63 119.700 119.700 120.506 -0.806 17914 1272 1 8 . 1 1 51 51 GLN C C 63 176.100 176.100 177.692 -1.592 17914 1273 1 8 . 1 1 51 51 GLN CA C 63 56.500 56.500 59.495 -2.995 17914 1274 1 8 . 1 1 52 52 ARG N N 64 118.900 118.900 119.189 -0.289 17914 1275 1 8 . 1 1 52 52 ARG C C 64 176.200 176.200 178.842 -2.642 17914 1276 1 8 . 1 1 52 52 ARG CA C 64 56.840 56.840 59.428 -2.588 17914 1277 1 8 . 1 1 53 53 LYS N N 65 120.200 120.200 117.861 2.339 17914 1278 1 8 . 1 1 53 53 LYS C C 65 176.100 176.100 178.482 -2.382 17914 1279 1 8 . 1 1 53 53 LYS CA C 65 56.100 56.100 59.232 -3.132 17914 1280 1 8 . 1 1 54 54 ARG N N 66 118.500 118.500 119.189 -0.689 17914 1281 1 8 . 1 1 54 54 ARG C C 66 173.600 173.600 178.708 -5.108 17914 1282 1 8 . 1 1 54 54 ARG CA C 66 57.500 57.500 58.855 -1.355 17914 1283 1 8 . 1 1 55 55 GLN N N 67 117.900 117.900 118.198 -0.298 17914 1284 1 8 . 1 1 55 55 GLN C C 67 177.500 177.500 177.754 -0.254 17914 1285 1 8 . 1 1 55 55 GLN CA C 67 55.600 55.600 57.910 -2.310 17914 1286 1 8 . 1 1 56 56 ALA C C 68 51.630 51.630 176.375 -124.745 17914 1287 1 8 . 1 1 56 56 ALA CA C 68 123.900 123.900 51.213 72.687 17914 1288 1 8 . 1 1 57 57 ASP N N 69 105.000 105.000 120.429 -15.429 17914 1289 1 8 . 1 1 57 57 ASP C C 69 53.960 53.960 175.385 -121.425 17914 1290 1 8 . 1 1 57 57 ASP CA C 69 118.900 118.900 54.818 64.082 17914 1291 1 8 . 1 1 58 58 ALA N N 70 125.500 125.500 126.792 -1.292 17914 1292 1 8 . 1 1 58 58 ALA C C 70 175.600 175.600 177.539 -1.939 17914 1293 1 8 . 1 1 58 58 ALA CA C 70 50.600 50.600 52.335 -1.735 17914 1294 1 8 . 1 1 59 59 SER N N 71 113.800 113.800 117.515 -3.715 17914 1295 1 8 . 1 1 59 59 SER C C 71 175.900 175.900 174.997 0.903 17914 1296 1 8 . 1 1 59 59 SER CA C 71 56.170 56.170 57.940 -1.770 17914 1297 1 9 . 1 1 2 2 GLY N N 14 108.800 108.800 108.657 0.143 17914 1298 1 9 . 1 1 2 2 GLY C C 14 174.100 174.100 175.618 -1.518 17914 1299 1 9 . 1 1 2 2 GLY CA C 14 44.790 44.790 46.881 -2.091 17914 1300 1 9 . 1 1 3 3 THR N N 15 110.500 110.500 117.039 -6.539 17914 1301 1 9 . 1 1 3 3 THR C C 15 176.200 176.200 176.681 -0.481 17914 1302 1 9 . 1 1 3 3 THR CA C 15 60.370 60.370 66.291 -5.921 17914 1303 1 9 . 1 1 4 4 THR N N 16 110.400 110.400 114.931 -4.531 17914 1304 1 9 . 1 1 4 4 THR CA C 16 62.400 62.400 65.125 -2.725 17914 1305 1 9 . 1 1 5 5 LEU N N 17 120.600 120.600 122.156 -1.556 17914 1306 1 9 . 1 1 5 5 LEU C C 17 173.400 173.400 179.213 -5.813 17914 1307 1 9 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.670 -2.310 17914 1308 1 9 . 1 1 6 6 VAL N N 18 115.800 115.800 117.017 -1.217 17914 1309 1 9 . 1 1 6 6 VAL CA C 18 63.000 63.000 65.505 -2.505 17914 1310 1 9 . 1 1 7 7 ALA N N 19 124.100 124.100 121.886 2.214 17914 1311 1 9 . 1 1 7 7 ALA C C 19 172.500 172.500 179.217 -6.717 17914 1312 1 9 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.365 -1.455 17914 1313 1 9 . 1 1 9 9 SER N N 21 113.000 113.000 113.480 -0.480 17914 1314 1 9 . 1 1 9 9 SER C C 21 176.900 176.900 176.348 0.552 17914 1315 1 9 . 1 1 9 9 SER CA C 21 58.730 58.730 60.757 -2.027 17914 1316 1 9 . 1 1 10 10 SER N N 22 114.700 114.700 118.357 -3.657 17914 1317 1 9 . 1 1 10 10 SER C C 22 175.900 175.900 175.798 0.102 17914 1318 1 9 . 1 1 10 10 SER CA C 22 56.040 56.040 60.618 -4.578 17914 1319 1 9 . 1 1 11 11 PHE N N 23 117.400 117.400 120.226 -2.826 17914 1320 1 9 . 1 1 11 11 PHE C C 23 174.000 174.000 176.882 -2.882 17914 1321 1 9 . 1 1 11 11 PHE CA C 23 55.850 55.850 59.364 -3.514 17914 1322 1 9 . 1 1 12 12 THR N N 24 115.600 115.600 116.949 -1.349 17914 1323 1 9 . 1 1 12 12 THR C C 24 175.800 175.800 173.956 1.844 17914 1324 1 9 . 1 1 12 12 THR CA C 24 64.650 64.650 68.949 -4.299 17914 1325 1 9 . 1 1 14 14 VAL N N 26 113.300 113.300 115.703 -2.403 17914 1326 1 9 . 1 1 14 14 VAL C C 26 173.900 173.900 177.982 -4.082 17914 1327 1 9 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.082 -1.892 17914 1328 1 9 . 1 1 15 15 LEU N N 27 118.900 118.900 121.733 -2.833 17914 1329 1 9 . 1 1 15 15 LEU C C 27 174.400 174.400 178.366 -3.966 17914 1330 1 9 . 1 1 15 15 LEU CA C 27 55.680 55.680 57.879 -2.199 17914 1331 1 9 . 1 1 16 16 VAL N N 28 114.200 114.200 119.783 -5.583 17914 1332 1 9 . 1 1 16 16 VAL C C 28 177.100 177.100 177.499 -0.399 17914 1333 1 9 . 1 1 16 16 VAL CA C 28 64.900 64.900 66.817 -1.917 17914 1334 1 9 . 1 1 17 17 ILE N N 29 118.400 118.400 118.763 -0.363 17914 1335 1 9 . 1 1 17 17 ILE C C 29 173.900 173.900 177.562 -3.662 17914 1336 1 9 . 1 1 17 17 ILE CA C 29 63.300 63.300 64.809 -1.509 17914 1337 1 9 . 1 1 18 18 LEU N N 30 118.800 118.800 120.997 -2.197 17914 1338 1 9 . 1 1 18 18 LEU C C 30 173.700 173.700 178.808 -5.108 17914 1339 1 9 . 1 1 18 18 LEU CA C 30 56.750 56.750 58.072 -1.322 17914 1340 1 9 . 1 1 19 19 LEU N N 31 118.600 118.600 118.414 0.186 17914 1341 1 9 . 1 1 19 19 LEU C C 31 173.500 173.500 179.064 -5.564 17914 1342 1 9 . 1 1 19 19 LEU CA C 31 54.580 54.580 58.063 -3.483 17914 1343 1 9 . 1 1 20 20 GLY N N 32 108.100 108.100 107.414 0.686 17914 1344 1 9 . 1 1 20 20 GLY C C 32 173.800 173.800 176.127 -2.327 17914 1345 1 9 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.355 -2.095 17914 1346 1 9 . 1 1 21 21 VAL N N 33 121.100 121.100 122.290 -1.190 17914 1347 1 9 . 1 1 21 21 VAL C C 33 175.400 175.400 178.025 -2.625 17914 1348 1 9 . 1 1 21 21 VAL CA C 33 65.000 65.000 66.099 -1.099 17914 1349 1 9 . 1 1 22 22 VAL N N 34 121.900 121.900 119.487 2.413 17914 1350 1 9 . 1 1 22 22 VAL C C 34 174.600 174.600 178.395 -3.795 17914 1351 1 9 . 1 1 22 22 VAL CA C 34 65.330 65.330 65.832 -0.502 17914 1352 1 9 . 1 1 23 23 GLY N N 35 108.000 108.000 108.003 -0.003 17914 1353 1 9 . 1 1 23 23 GLY C C 35 173.800 173.800 177.081 -3.281 17914 1354 1 9 . 1 1 23 23 GLY CA C 35 45.260 45.260 47.253 -1.993 17914 1355 1 9 . 1 1 24 24 LEU N N 36 120.300 120.300 122.445 -2.145 17914 1356 1 9 . 1 1 24 24 LEU C C 36 176.000 176.000 179.194 -3.194 17914 1357 1 9 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.382 -1.382 17914 1358 1 9 . 1 1 25 25 SER N N 37 117.300 117.300 114.743 2.557 17914 1359 1 9 . 1 1 25 25 SER C C 37 177.300 177.300 176.575 0.725 17914 1360 1 9 . 1 1 25 25 SER CA C 37 59.640 59.640 60.951 -1.311 17914 1361 1 9 . 1 1 26 26 ALA N N 38 125.400 125.400 125.953 -0.553 17914 1362 1 9 . 1 1 26 26 ALA C C 38 173.000 173.000 179.426 -6.426 17914 1363 1 9 . 1 1 26 26 ALA CA C 38 53.130 53.130 54.657 -1.527 17914 1364 1 9 . 1 1 27 27 LEU N N 39 117.400 117.400 117.320 0.080 17914 1365 1 9 . 1 1 27 27 LEU C C 39 178.100 178.100 177.786 0.314 17914 1366 1 9 . 1 1 27 27 LEU CA C 39 55.300 55.300 56.958 -1.658 17914 1367 1 9 . 1 1 28 28 THR N N 40 103.800 103.800 107.603 -3.803 17914 1368 1 9 . 1 1 28 28 THR C C 40 173.100 173.100 175.578 -2.478 17914 1369 1 9 . 1 1 28 28 THR CA C 40 59.700 59.700 61.576 -1.876 17914 1370 1 9 . 1 1 29 29 GLY N N 41 109.800 109.800 110.443 -0.643 17914 1371 1 9 . 1 1 29 29 GLY C C 41 172.600 172.600 173.409 -0.809 17914 1372 1 9 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.622 0.838 17914 1373 1 9 . 1 1 30 30 TYR N N 42 118.700 118.700 122.111 -3.411 17914 1374 1 9 . 1 1 30 30 TYR C C 42 172.800 172.800 177.365 -4.565 17914 1375 1 9 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.762 -2.162 17914 1376 1 9 . 1 1 31 31 LEU N N 43 120.900 120.900 124.516 -3.616 17914 1377 1 9 . 1 1 31 31 LEU C C 43 173.600 173.600 177.392 -3.792 17914 1378 1 9 . 1 1 31 31 LEU CA C 43 55.750 55.750 57.919 -2.168 17914 1379 1 9 . 1 1 32 32 ASP N N 44 116.400 116.400 117.262 -0.862 17914 1380 1 9 . 1 1 32 32 ASP C C 44 181.400 181.400 178.672 2.728 17914 1381 1 9 . 1 1 32 32 ASP CA C 44 54.400 54.400 56.484 -2.084 17914 1382 1 9 . 1 1 33 33 TYR N N 45 116.900 116.900 119.671 -2.771 17914 1383 1 9 . 1 1 33 33 TYR C C 45 174.100 174.100 176.264 -2.164 17914 1384 1 9 . 1 1 33 33 TYR CA C 45 55.800 55.800 59.596 -3.796 17914 1385 1 9 . 1 1 34 34 VAL N N 46 114.700 114.700 119.094 -4.394 17914 1386 1 9 . 1 1 34 34 VAL C C 46 175.800 175.800 175.287 0.513 17914 1387 1 9 . 1 1 34 34 VAL CA C 46 60.390 60.390 61.967 -1.577 17914 1388 1 9 . 1 1 35 35 LEU N N 47 120.200 120.200 121.055 -0.855 17914 1389 1 9 . 1 1 35 35 LEU C C 47 175.800 175.800 178.199 -2.399 17914 1390 1 9 . 1 1 35 35 LEU CA C 47 56.350 56.350 57.250 -0.900 17914 1391 1 9 . 1 1 36 36 LEU N N 48 116.300 116.300 120.890 -4.590 17914 1392 1 9 . 1 1 36 36 LEU C C 48 176.700 176.700 176.729 -0.029 17914 1393 1 9 . 1 1 36 36 LEU CA C 48 57.160 57.160 59.710 -2.550 17914 1394 1 9 . 1 1 38 38 ALA N N 50 116.400 116.400 121.923 -5.523 17914 1395 1 9 . 1 1 38 38 ALA C C 50 181.300 181.300 179.930 1.370 17914 1396 1 9 . 1 1 38 38 ALA CA C 50 54.670 54.670 55.212 -0.542 17914 1397 1 9 . 1 1 39 39 LEU N N 51 117.300 117.300 118.914 -1.614 17914 1398 1 9 . 1 1 39 39 LEU C C 51 175.500 175.500 178.456 -2.956 17914 1399 1 9 . 1 1 39 39 LEU CA C 51 55.870 55.870 57.341 -1.471 17914 1400 1 9 . 1 1 40 40 ALA N N 52 120.300 120.300 122.229 -1.929 17914 1401 1 9 . 1 1 40 40 ALA C C 52 174.300 174.300 179.943 -5.643 17914 1402 1 9 . 1 1 40 40 ALA CA C 52 53.860 53.860 54.915 -1.055 17914 1403 1 9 . 1 1 41 41 ILE N N 53 117.500 117.500 119.170 -1.670 17914 1404 1 9 . 1 1 41 41 ILE C C 53 175.000 175.000 177.588 -2.588 17914 1405 1 9 . 1 1 41 41 ILE CA C 53 64.650 64.650 64.907 -0.257 17914 1406 1 9 . 1 1 42 42 PHE N N 54 119.100 119.100 117.787 1.313 17914 1407 1 9 . 1 1 42 42 PHE C C 54 178.700 178.700 177.832 0.868 17914 1408 1 9 . 1 1 42 42 PHE CA C 54 59.800 59.800 61.759 -1.959 17914 1409 1 9 . 1 1 43 43 ILE N N 55 120.900 120.900 120.588 0.312 17914 1410 1 9 . 1 1 43 43 ILE C C 55 173.300 173.300 177.715 -4.415 17914 1411 1 9 . 1 1 43 43 ILE CA C 55 63.460 63.460 64.114 -0.654 17914 1412 1 9 . 1 1 44 44 GLY N N 56 109.200 109.200 107.796 1.404 17914 1413 1 9 . 1 1 44 44 GLY C C 56 172.700 172.700 176.184 -3.484 17914 1414 1 9 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.276 -1.376 17914 1415 1 9 . 1 1 45 45 LEU N N 57 120.100 120.100 121.322 -1.222 17914 1416 1 9 . 1 1 45 45 LEU C C 57 176.000 176.000 178.899 -2.899 17914 1417 1 9 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.209 -0.988 17914 1418 1 9 . 1 1 46 46 THR N N 58 116.700 116.700 116.568 0.132 17914 1419 1 9 . 1 1 46 46 THR C C 58 175.000 175.000 177.172 -2.172 17914 1420 1 9 . 1 1 46 46 THR CA C 58 64.610 64.610 66.958 -2.348 17914 1421 1 9 . 1 1 47 47 ILE N N 59 120.500 120.500 121.875 -1.375 17914 1422 1 9 . 1 1 47 47 ILE C C 59 175.300 175.300 177.274 -1.974 17914 1423 1 9 . 1 1 47 47 ILE CA C 59 65.200 65.200 64.592 0.608 17914 1424 1 9 . 1 1 48 48 TYR N N 60 120.100 120.100 120.198 -0.098 17914 1425 1 9 . 1 1 48 48 TYR C C 60 175.200 175.200 176.414 -1.214 17914 1426 1 9 . 1 1 48 48 TYR CA C 60 59.300 59.300 61.342 -2.042 17914 1427 1 9 . 1 1 49 49 ALA N N 61 122.500 122.500 121.764 0.736 17914 1428 1 9 . 1 1 49 49 ALA C C 61 177.500 177.500 179.523 -2.023 17914 1429 1 9 . 1 1 49 49 ALA CA C 61 53.220 53.220 55.080 -1.860 17914 1430 1 9 . 1 1 50 50 ILE N N 62 118.500 118.500 116.633 1.867 17914 1431 1 9 . 1 1 50 50 ILE C C 62 173.500 173.500 177.912 -4.412 17914 1432 1 9 . 1 1 50 50 ILE CA C 62 64.110 64.110 62.229 1.881 17914 1433 1 9 . 1 1 51 51 GLN N N 63 119.700 119.700 119.188 0.512 17914 1434 1 9 . 1 1 51 51 GLN C C 63 176.100 176.100 178.093 -1.993 17914 1435 1 9 . 1 1 51 51 GLN CA C 63 56.500 56.500 58.684 -2.184 17914 1436 1 9 . 1 1 52 52 ARG N N 64 118.900 118.900 119.576 -0.676 17914 1437 1 9 . 1 1 52 52 ARG C C 64 176.200 176.200 178.590 -2.390 17914 1438 1 9 . 1 1 52 52 ARG CA C 64 56.840 56.840 59.764 -2.924 17914 1439 1 9 . 1 1 53 53 LYS N N 65 120.200 120.200 117.153 3.047 17914 1440 1 9 . 1 1 53 53 LYS C C 65 176.100 176.100 178.160 -2.060 17914 1441 1 9 . 1 1 53 53 LYS CA C 65 56.100 56.100 58.766 -2.666 17914 1442 1 9 . 1 1 54 54 ARG N N 66 118.500 118.500 117.789 0.711 17914 1443 1 9 . 1 1 54 54 ARG C C 66 173.600 173.600 178.408 -4.808 17914 1444 1 9 . 1 1 54 54 ARG CA C 66 57.500 57.500 58.069 -0.569 17914 1445 1 9 . 1 1 55 55 GLN N N 67 117.900 117.900 116.963 0.937 17914 1446 1 9 . 1 1 55 55 GLN C C 67 177.500 177.500 177.647 -0.147 17914 1447 1 9 . 1 1 55 55 GLN CA C 67 55.600 55.600 58.501 -2.901 17914 1448 1 9 . 1 1 56 56 ALA C C 68 51.630 51.630 176.681 -125.051 17914 1449 1 9 . 1 1 56 56 ALA CA C 68 123.900 123.900 53.759 70.141 17914 1450 1 9 . 1 1 57 57 ASP N N 69 105.000 105.000 118.566 -13.566 17914 1451 1 9 . 1 1 57 57 ASP C C 69 53.960 53.960 176.384 -122.424 17914 1452 1 9 . 1 1 57 57 ASP CA C 69 118.900 118.900 55.228 63.672 17914 1453 1 9 . 1 1 58 58 ALA N N 70 125.500 125.500 121.972 3.528 17914 1454 1 9 . 1 1 58 58 ALA C C 70 175.600 175.600 177.504 -1.904 17914 1455 1 9 . 1 1 58 58 ALA CA C 70 50.600 50.600 53.546 -2.946 17914 1456 1 9 . 1 1 59 59 SER N N 71 113.800 113.800 113.415 0.385 17914 1457 1 9 . 1 1 59 59 SER C C 71 175.900 175.900 174.495 1.405 17914 1458 1 9 . 1 1 59 59 SER CA C 71 56.170 56.170 58.039 -1.869 17914 1459 1 10 . 1 1 2 2 GLY N N 14 108.800 108.800 110.095 -1.295 17914 1460 1 10 . 1 1 2 2 GLY C C 14 174.100 174.100 175.613 -1.513 17914 1461 1 10 . 1 1 2 2 GLY CA C 14 44.790 44.790 46.911 -2.121 17914 1462 1 10 . 1 1 3 3 THR N N 15 110.500 110.500 115.411 -4.911 17914 1463 1 10 . 1 1 3 3 THR C C 15 176.200 176.200 176.789 -0.589 17914 1464 1 10 . 1 1 3 3 THR CA C 15 60.370 60.370 65.662 -5.292 17914 1465 1 10 . 1 1 4 4 THR N N 16 110.400 110.400 115.008 -4.608 17914 1466 1 10 . 1 1 4 4 THR CA C 16 62.400 62.400 64.964 -2.564 17914 1467 1 10 . 1 1 5 5 LEU N N 17 120.600 120.600 122.673 -2.073 17914 1468 1 10 . 1 1 5 5 LEU C C 17 173.400 173.400 179.297 -5.897 17914 1469 1 10 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.562 -2.202 17914 1470 1 10 . 1 1 6 6 VAL N N 18 115.800 115.800 119.324 -3.524 17914 1471 1 10 . 1 1 6 6 VAL CA C 18 63.000 63.000 66.387 -3.387 17914 1472 1 10 . 1 1 7 7 ALA N N 19 124.100 124.100 121.112 2.988 17914 1473 1 10 . 1 1 7 7 ALA C C 19 172.500 172.500 178.948 -6.448 17914 1474 1 10 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.488 -1.578 17914 1475 1 10 . 1 1 9 9 SER N N 21 113.000 113.000 112.920 0.080 17914 1476 1 10 . 1 1 9 9 SER C C 21 176.900 176.900 176.473 0.427 17914 1477 1 10 . 1 1 9 9 SER CA C 21 58.730 58.730 60.567 -1.837 17914 1478 1 10 . 1 1 10 10 SER N N 22 114.700 114.700 118.891 -4.191 17914 1479 1 10 . 1 1 10 10 SER C C 22 175.900 175.900 175.875 0.025 17914 1480 1 10 . 1 1 10 10 SER CA C 22 56.040 56.040 60.984 -4.944 17914 1481 1 10 . 1 1 11 11 PHE N N 23 117.400 117.400 119.920 -2.520 17914 1482 1 10 . 1 1 11 11 PHE C C 23 174.000 174.000 176.738 -2.738 17914 1483 1 10 . 1 1 11 11 PHE CA C 23 55.850 55.850 59.176 -3.326 17914 1484 1 10 . 1 1 12 12 THR N N 24 115.600 115.600 116.579 -0.979 17914 1485 1 10 . 1 1 12 12 THR C C 24 175.800 175.800 173.862 1.938 17914 1486 1 10 . 1 1 12 12 THR CA C 24 64.650 64.650 69.219 -4.569 17914 1487 1 10 . 1 1 14 14 VAL N N 26 113.300 113.300 117.810 -4.510 17914 1488 1 10 . 1 1 14 14 VAL C C 26 173.900 173.900 178.219 -4.319 17914 1489 1 10 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.384 -2.194 17914 1490 1 10 . 1 1 15 15 LEU N N 27 118.900 118.900 122.244 -3.344 17914 1491 1 10 . 1 1 15 15 LEU C C 27 174.400 174.400 178.324 -3.924 17914 1492 1 10 . 1 1 15 15 LEU CA C 27 55.680 55.680 57.893 -2.213 17914 1493 1 10 . 1 1 16 16 VAL N N 28 114.200 114.200 120.077 -5.877 17914 1494 1 10 . 1 1 16 16 VAL C C 28 177.100 177.100 177.387 -0.287 17914 1495 1 10 . 1 1 16 16 VAL CA C 28 64.900 64.900 66.931 -2.031 17914 1496 1 10 . 1 1 17 17 ILE N N 29 118.400 118.400 116.629 1.771 17914 1497 1 10 . 1 1 17 17 ILE C C 29 173.900 173.900 177.347 -3.447 17914 1498 1 10 . 1 1 17 17 ILE CA C 29 63.300 63.300 64.416 -1.116 17914 1499 1 10 . 1 1 18 18 LEU N N 30 118.800 118.800 121.654 -2.854 17914 1500 1 10 . 1 1 18 18 LEU C C 30 173.700 173.700 178.508 -4.808 17914 1501 1 10 . 1 1 18 18 LEU CA C 30 56.750 56.750 57.962 -1.212 17914 1502 1 10 . 1 1 19 19 LEU N N 31 118.600 118.600 117.866 0.734 17914 1503 1 10 . 1 1 19 19 LEU C C 31 173.500 173.500 179.032 -5.532 17914 1504 1 10 . 1 1 19 19 LEU CA C 31 54.580 54.580 57.665 -3.085 17914 1505 1 10 . 1 1 20 20 GLY N N 32 108.100 108.100 107.631 0.469 17914 1506 1 10 . 1 1 20 20 GLY C C 32 173.800 173.800 176.168 -2.368 17914 1507 1 10 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.358 -2.098 17914 1508 1 10 . 1 1 21 21 VAL N N 33 121.100 121.100 122.457 -1.357 17914 1509 1 10 . 1 1 21 21 VAL C C 33 175.400 175.400 178.117 -2.717 17914 1510 1 10 . 1 1 21 21 VAL CA C 33 65.000 65.000 66.117 -1.117 17914 1511 1 10 . 1 1 22 22 VAL N N 34 121.900 121.900 119.133 2.767 17914 1512 1 10 . 1 1 22 22 VAL C C 34 174.600 174.600 178.156 -3.556 17914 1513 1 10 . 1 1 22 22 VAL CA C 34 65.330 65.330 66.128 -0.798 17914 1514 1 10 . 1 1 23 23 GLY N N 35 108.000 108.000 108.034 -0.034 17914 1515 1 10 . 1 1 23 23 GLY C C 35 173.800 173.800 176.705 -2.905 17914 1516 1 10 . 1 1 23 23 GLY CA C 35 45.260 45.260 47.114 -1.854 17914 1517 1 10 . 1 1 24 24 LEU N N 36 120.300 120.300 122.726 -2.426 17914 1518 1 10 . 1 1 24 24 LEU C C 36 176.000 176.000 179.194 -3.194 17914 1519 1 10 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.299 -1.299 17914 1520 1 10 . 1 1 25 25 SER N N 37 117.300 117.300 114.891 2.409 17914 1521 1 10 . 1 1 25 25 SER C C 37 177.300 177.300 176.306 0.994 17914 1522 1 10 . 1 1 25 25 SER CA C 37 59.640 59.640 61.170 -1.530 17914 1523 1 10 . 1 1 26 26 ALA N N 38 125.400 125.400 125.234 0.166 17914 1524 1 10 . 1 1 26 26 ALA C C 38 173.000 173.000 179.518 -6.518 17914 1525 1 10 . 1 1 26 26 ALA CA C 38 53.130 53.130 54.810 -1.680 17914 1526 1 10 . 1 1 27 27 LEU N N 39 117.400 117.400 116.719 0.681 17914 1527 1 10 . 1 1 27 27 LEU C C 39 178.100 178.100 177.939 0.161 17914 1528 1 10 . 1 1 27 27 LEU CA C 39 55.300 55.300 56.819 -1.520 17914 1529 1 10 . 1 1 28 28 THR N N 40 103.800 103.800 107.483 -3.683 17914 1530 1 10 . 1 1 28 28 THR C C 40 173.100 173.100 175.537 -2.437 17914 1531 1 10 . 1 1 28 28 THR CA C 40 59.700 59.700 61.593 -1.893 17914 1532 1 10 . 1 1 29 29 GLY N N 41 109.800 109.800 110.392 -0.592 17914 1533 1 10 . 1 1 29 29 GLY C C 41 172.600 172.600 173.452 -0.852 17914 1534 1 10 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.597 0.863 17914 1535 1 10 . 1 1 30 30 TYR N N 42 118.700 118.700 122.257 -3.557 17914 1536 1 10 . 1 1 30 30 TYR C C 42 172.800 172.800 177.306 -4.506 17914 1537 1 10 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.489 -1.889 17914 1538 1 10 . 1 1 31 31 LEU N N 43 120.900 120.900 124.790 -3.890 17914 1539 1 10 . 1 1 31 31 LEU C C 43 173.600 173.600 177.602 -4.002 17914 1540 1 10 . 1 1 31 31 LEU CA C 43 55.750 55.750 58.031 -2.281 17914 1541 1 10 . 1 1 32 32 ASP N N 44 116.400 116.400 117.496 -1.096 17914 1542 1 10 . 1 1 32 32 ASP C C 44 181.400 181.400 178.489 2.911 17914 1543 1 10 . 1 1 32 32 ASP CA C 44 54.400 54.400 56.245 -1.845 17914 1544 1 10 . 1 1 33 33 TYR N N 45 116.900 116.900 119.678 -2.778 17914 1545 1 10 . 1 1 33 33 TYR C C 45 174.100 174.100 176.250 -2.150 17914 1546 1 10 . 1 1 33 33 TYR CA C 45 55.800 55.800 59.622 -3.822 17914 1547 1 10 . 1 1 34 34 VAL N N 46 114.700 114.700 119.330 -4.630 17914 1548 1 10 . 1 1 34 34 VAL C C 46 175.800 175.800 175.374 0.426 17914 1549 1 10 . 1 1 34 34 VAL CA C 46 60.390 60.390 62.128 -1.738 17914 1550 1 10 . 1 1 35 35 LEU N N 47 120.200 120.200 121.908 -1.708 17914 1551 1 10 . 1 1 35 35 LEU C C 47 175.800 175.800 177.667 -1.867 17914 1552 1 10 . 1 1 35 35 LEU CA C 47 56.350 56.350 57.400 -1.050 17914 1553 1 10 . 1 1 36 36 LEU N N 48 116.300 116.300 121.006 -4.706 17914 1554 1 10 . 1 1 36 36 LEU C C 48 176.700 176.700 176.295 0.405 17914 1555 1 10 . 1 1 36 36 LEU CA C 48 57.160 57.160 60.514 -3.354 17914 1556 1 10 . 1 1 38 38 ALA N N 50 116.400 116.400 121.759 -5.359 17914 1557 1 10 . 1 1 38 38 ALA C C 50 181.300 181.300 180.104 1.196 17914 1558 1 10 . 1 1 38 38 ALA CA C 50 54.670 54.670 55.109 -0.439 17914 1559 1 10 . 1 1 39 39 LEU N N 51 117.300 117.300 117.740 -0.440 17914 1560 1 10 . 1 1 39 39 LEU C C 51 175.500 175.500 179.149 -3.649 17914 1561 1 10 . 1 1 39 39 LEU CA C 51 55.870 55.870 57.346 -1.476 17914 1562 1 10 . 1 1 40 40 ALA N N 52 120.300 120.300 122.579 -2.279 17914 1563 1 10 . 1 1 40 40 ALA C C 52 174.300 174.300 179.756 -5.456 17914 1564 1 10 . 1 1 40 40 ALA CA C 52 53.860 53.860 55.068 -1.208 17914 1565 1 10 . 1 1 41 41 ILE N N 53 117.500 117.500 118.142 -0.642 17914 1566 1 10 . 1 1 41 41 ILE C C 53 175.000 175.000 177.800 -2.800 17914 1567 1 10 . 1 1 41 41 ILE CA C 53 64.650 64.650 63.141 1.509 17914 1568 1 10 . 1 1 42 42 PHE N N 54 119.100 119.100 118.548 0.552 17914 1569 1 10 . 1 1 42 42 PHE C C 54 178.700 178.700 178.225 0.475 17914 1570 1 10 . 1 1 42 42 PHE CA C 54 59.800 59.800 62.224 -2.425 17914 1571 1 10 . 1 1 43 43 ILE N N 55 120.900 120.900 119.799 1.101 17914 1572 1 10 . 1 1 43 43 ILE C C 55 173.300 173.300 178.233 -4.933 17914 1573 1 10 . 1 1 43 43 ILE CA C 55 63.460 63.460 64.979 -1.519 17914 1574 1 10 . 1 1 44 44 GLY N N 56 109.200 109.200 107.946 1.254 17914 1575 1 10 . 1 1 44 44 GLY C C 56 172.700 172.700 176.231 -3.531 17914 1576 1 10 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.176 -1.276 17914 1577 1 10 . 1 1 45 45 LEU N N 57 120.100 120.100 121.140 -1.040 17914 1578 1 10 . 1 1 45 45 LEU C C 57 176.000 176.000 179.014 -3.014 17914 1579 1 10 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.269 -1.049 17914 1580 1 10 . 1 1 46 46 THR N N 58 116.700 116.700 116.664 0.036 17914 1581 1 10 . 1 1 46 46 THR C C 58 175.000 175.000 177.389 -2.389 17914 1582 1 10 . 1 1 46 46 THR CA C 58 64.610 64.610 66.654 -2.044 17914 1583 1 10 . 1 1 47 47 ILE N N 59 120.500 120.500 121.788 -1.288 17914 1584 1 10 . 1 1 47 47 ILE C C 59 175.300 175.300 177.398 -2.098 17914 1585 1 10 . 1 1 47 47 ILE CA C 59 65.200 65.200 64.670 0.530 17914 1586 1 10 . 1 1 48 48 TYR N N 60 120.100 120.100 120.646 -0.546 17914 1587 1 10 . 1 1 48 48 TYR C C 60 175.200 175.200 176.879 -1.679 17914 1588 1 10 . 1 1 48 48 TYR CA C 60 59.300 59.300 60.897 -1.597 17914 1589 1 10 . 1 1 49 49 ALA N N 61 122.500 122.500 121.751 0.749 17914 1590 1 10 . 1 1 49 49 ALA C C 61 177.500 177.500 179.271 -1.771 17914 1591 1 10 . 1 1 49 49 ALA CA C 61 53.220 53.220 55.542 -2.322 17914 1592 1 10 . 1 1 50 50 ILE N N 62 118.500 118.500 114.520 3.980 17914 1593 1 10 . 1 1 50 50 ILE C C 62 173.500 173.500 177.477 -3.977 17914 1594 1 10 . 1 1 50 50 ILE CA C 62 64.110 64.110 63.458 0.652 17914 1595 1 10 . 1 1 51 51 GLN N N 63 119.700 119.700 121.414 -1.714 17914 1596 1 10 . 1 1 51 51 GLN C C 63 176.100 176.100 177.820 -1.720 17914 1597 1 10 . 1 1 51 51 GLN CA C 63 56.500 56.500 59.294 -2.794 17914 1598 1 10 . 1 1 52 52 ARG N N 64 118.900 118.900 119.005 -0.105 17914 1599 1 10 . 1 1 52 52 ARG C C 64 176.200 176.200 178.643 -2.443 17914 1600 1 10 . 1 1 52 52 ARG CA C 64 56.840 56.840 59.442 -2.602 17914 1601 1 10 . 1 1 53 53 LYS N N 65 120.200 120.200 118.354 1.846 17914 1602 1 10 . 1 1 53 53 LYS C C 65 176.100 176.100 178.632 -2.532 17914 1603 1 10 . 1 1 53 53 LYS CA C 65 56.100 56.100 58.119 -2.019 17914 1604 1 10 . 1 1 54 54 ARG N N 66 118.500 118.500 118.580 -0.080 17914 1605 1 10 . 1 1 54 54 ARG C C 66 173.600 173.600 178.930 -5.330 17914 1606 1 10 . 1 1 54 54 ARG CA C 66 57.500 57.500 59.191 -1.692 17914 1607 1 10 . 1 1 55 55 GLN N N 67 117.900 117.900 118.117 -0.217 17914 1608 1 10 . 1 1 55 55 GLN C C 67 177.500 177.500 177.579 -0.079 17914 1609 1 10 . 1 1 55 55 GLN CA C 67 55.600 55.600 58.031 -2.431 17914 1610 1 10 . 1 1 56 56 ALA C C 68 51.630 51.630 176.264 -124.634 17914 1611 1 10 . 1 1 56 56 ALA CA C 68 123.900 123.900 51.536 72.364 17914 1612 1 10 . 1 1 57 57 ASP N N 69 105.000 105.000 119.251 -14.251 17914 1613 1 10 . 1 1 57 57 ASP C C 69 53.960 53.960 175.564 -121.604 17914 1614 1 10 . 1 1 57 57 ASP CA C 69 118.900 118.900 55.031 63.869 17914 1615 1 10 . 1 1 58 58 ALA N N 70 125.500 125.500 124.948 0.552 17914 1616 1 10 . 1 1 58 58 ALA C C 70 175.600 175.600 178.448 -2.848 17914 1617 1 10 . 1 1 58 58 ALA CA C 70 50.600 50.600 52.217 -1.617 17914 1618 1 10 . 1 1 59 59 SER N N 71 113.800 113.800 118.153 -4.353 17914 1619 1 10 . 1 1 59 59 SER C C 71 175.900 175.900 173.942 1.958 17914 1620 1 10 . 1 1 59 59 SER CA C 71 56.170 56.170 58.531 -2.361 17914 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 54 3.436 1.637 3.049 17914 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 17914 3 1 1 "Average Difference" C 53 24.312 6.838 23.554 17914 4 1 1 "Average Difference" CA 55 12.971 -0.575 13.078 17914 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17914 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 17914 7 1 2 "Average Difference" N 54 3.385 1.444 3.090 17914 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 17914 9 1 2 "Average Difference" C 53 24.492 6.814 23.751 17914 10 1 2 "Average Difference" CA 55 13.038 -0.618 13.144 17914 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17914 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 17914 13 1 3 "Average Difference" N 54 2.908 1.467 2.534 17914 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 17914 15 1 3 "Average Difference" C 53 24.220 6.880 23.444 17914 16 1 3 "Average Difference" CA 55 13.055 -0.699 13.157 17914 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17914 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 17914 19 1 4 "Average Difference" N 54 3.308 1.291 3.074 17914 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 17914 21 1 4 "Average Difference" C 53 24.084 6.776 23.332 17914 22 1 4 "Average Difference" CA 55 13.358 -0.691 13.463 17914 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17914 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 17914 25 1 5 "Average Difference" N 54 3.263 1.368 2.990 17914 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 17914 27 1 5 "Average Difference" C 53 24.107 6.770 23.358 17914 28 1 5 "Average Difference" CA 55 12.967 -0.554 13.075 17914 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17914 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 17914 31 1 6 "Average Difference" N 54 3.316 1.361 3.052 17914 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 17914 33 1 6 "Average Difference" C 53 24.427 6.874 23.664 17914 34 1 6 "Average Difference" CA 55 13.165 -0.736 13.265 17914 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17914 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 17914 37 1 7 "Average Difference" N 54 3.818 1.534 3.529 17914 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 17914 39 1 7 "Average Difference" C 53 24.425 6.804 23.682 17914 40 1 7 "Average Difference" CA 55 13.023 -0.677 13.125 17914 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17914 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 17914 43 1 8 "Average Difference" N 54 3.331 1.613 2.942 17914 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 17914 45 1 8 "Average Difference" C 53 24.114 6.858 23.340 17914 46 1 8 "Average Difference" CA 55 13.256 -0.638 13.362 17914 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17914 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 17914 49 1 9 "Average Difference" N 54 3.081 1.276 2.831 17914 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 17914 51 1 9 "Average Difference" C 53 24.239 6.834 23.478 17914 52 1 9 "Average Difference" CA 55 12.967 -0.620 13.072 17914 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17914 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 17914 55 1 10 "Average Difference" N 54 3.278 1.506 2.939 17914 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 17914 57 1 10 "Average Difference" C 53 24.124 6.833 23.358 17914 58 1 10 "Average Difference" CA 55 13.205 -0.645 13.311 17914 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17914 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 17914 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 17914 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY N N 14 108.800 108.800 109.574 -0.774 17914 2 1 . 1 1 2 2 GLY C C 14 174.100 174.100 175.571 -1.471 17914 3 1 . 1 1 2 2 GLY CA C 14 44.790 44.790 47.393 -2.603 17914 4 1 . 1 1 3 3 THR N N 15 110.500 110.500 115.559 -5.059 17914 5 1 . 1 1 3 3 THR C C 15 176.200 176.200 176.502 -0.302 17914 6 1 . 1 1 3 3 THR CA C 15 60.370 60.370 66.086 -5.716 17914 7 1 . 1 1 4 4 THR N N 16 110.400 110.400 116.223 -5.823 17914 8 1 . 1 1 4 4 THR CA C 16 62.400 62.400 65.320 -2.920 17914 9 1 . 1 1 5 5 LEU N N 17 120.600 120.600 122.159 -1.559 17914 10 1 . 1 1 5 5 LEU C C 17 173.400 173.400 178.696 -5.296 17914 11 1 . 1 1 5 5 LEU CA C 17 55.360 55.360 57.477 -2.117 17914 12 1 . 1 1 6 6 VAL N N 18 115.800 115.800 118.730 -2.930 17914 13 1 . 1 1 6 6 VAL CA C 18 63.000 63.000 66.219 -3.219 17914 14 1 . 1 1 7 7 ALA N N 19 124.100 124.100 121.719 2.381 17914 15 1 . 1 1 7 7 ALA C C 19 172.500 172.500 179.299 -6.799 17914 16 1 . 1 1 7 7 ALA CA C 19 52.910 52.910 54.520 -1.610 17914 17 1 . 1 1 9 9 SER N N 21 113.000 113.000 114.161 -1.161 17914 18 1 . 1 1 9 9 SER C C 21 176.900 176.900 176.811 0.089 17914 19 1 . 1 1 9 9 SER CA C 21 58.730 58.730 61.034 -2.304 17914 20 1 . 1 1 10 10 SER N N 22 114.700 114.700 118.772 -4.072 17914 21 1 . 1 1 10 10 SER C C 22 175.900 175.900 175.918 -0.018 17914 22 1 . 1 1 10 10 SER CA C 22 56.040 56.040 61.091 -5.051 17914 23 1 . 1 1 11 11 PHE N N 23 117.400 117.400 119.647 -2.247 17914 24 1 . 1 1 11 11 PHE C C 23 174.000 174.000 176.700 -2.700 17914 25 1 . 1 1 11 11 PHE CA C 23 55.850 55.850 59.297 -3.446 17914 26 1 . 1 1 12 12 THR N N 24 115.600 115.600 116.802 -1.202 17914 27 1 . 1 1 12 12 THR C C 24 175.800 175.800 174.024 1.776 17914 28 1 . 1 1 12 12 THR CA C 24 64.650 64.650 68.840 -4.190 17914 29 1 . 1 1 14 14 VAL N N 26 113.300 113.300 117.140 -3.840 17914 30 1 . 1 1 14 14 VAL C C 26 173.900 173.900 178.183 -4.283 17914 31 1 . 1 1 14 14 VAL CA C 26 63.190 63.190 65.473 -2.283 17914 32 1 . 1 1 15 15 LEU N N 27 118.900 118.900 121.946 -3.046 17914 33 1 . 1 1 15 15 LEU C C 27 174.400 174.400 178.398 -3.998 17914 34 1 . 1 1 15 15 LEU CA C 27 55.680 55.680 58.034 -2.354 17914 35 1 . 1 1 16 16 VAL N N 28 114.200 114.200 119.527 -5.327 17914 36 1 . 1 1 16 16 VAL C C 28 177.100 177.100 177.783 -0.683 17914 37 1 . 1 1 16 16 VAL CA C 28 64.900 64.900 66.720 -1.820 17914 38 1 . 1 1 17 17 ILE N N 29 118.400 118.400 118.653 -0.253 17914 39 1 . 1 1 17 17 ILE C C 29 173.900 173.900 177.405 -3.505 17914 40 1 . 1 1 17 17 ILE CA C 29 63.300 63.300 64.199 -0.899 17914 41 1 . 1 1 18 18 LEU N N 30 118.800 118.800 121.299 -2.499 17914 42 1 . 1 1 18 18 LEU C C 30 173.700 173.700 178.724 -5.024 17914 43 1 . 1 1 18 18 LEU CA C 30 56.750 56.750 58.031 -1.281 17914 44 1 . 1 1 19 19 LEU N N 31 118.600 118.600 118.262 0.338 17914 45 1 . 1 1 19 19 LEU C C 31 173.500 173.500 179.059 -5.559 17914 46 1 . 1 1 19 19 LEU CA C 31 54.580 54.580 57.657 -3.077 17914 47 1 . 1 1 20 20 GLY N N 32 108.100 108.100 107.472 0.628 17914 48 1 . 1 1 20 20 GLY C C 32 173.800 173.800 176.121 -2.321 17914 49 1 . 1 1 20 20 GLY CA C 32 45.260 45.260 47.312 -2.052 17914 50 1 . 1 1 21 21 VAL N N 33 121.100 121.100 121.879 -0.779 17914 51 1 . 1 1 21 21 VAL C C 33 175.400 175.400 177.900 -2.500 17914 52 1 . 1 1 21 21 VAL CA C 33 65.000 65.000 65.827 -0.827 17914 53 1 . 1 1 22 22 VAL N N 34 121.900 121.900 118.477 3.423 17914 54 1 . 1 1 22 22 VAL C C 34 174.600 174.600 177.999 -3.399 17914 55 1 . 1 1 22 22 VAL CA C 34 65.330 65.330 65.479 -0.149 17914 56 1 . 1 1 23 23 GLY N N 35 108.000 108.000 107.999 0.001 17914 57 1 . 1 1 23 23 GLY C C 35 173.800 173.800 176.757 -2.957 17914 58 1 . 1 1 23 23 GLY CA C 35 45.260 45.260 47.078 -1.818 17914 59 1 . 1 1 24 24 LEU N N 36 120.300 120.300 122.207 -1.907 17914 60 1 . 1 1 24 24 LEU C C 36 176.000 176.000 179.021 -3.021 17914 61 1 . 1 1 24 24 LEU CA C 36 56.000 56.000 57.369 -1.369 17914 62 1 . 1 1 25 25 SER N N 37 117.300 117.300 114.709 2.591 17914 63 1 . 1 1 25 25 SER C C 37 177.300 177.300 176.493 0.807 17914 64 1 . 1 1 25 25 SER CA C 37 59.640 59.640 61.127 -1.487 17914 65 1 . 1 1 26 26 ALA N N 38 125.400 125.400 125.598 -0.198 17914 66 1 . 1 1 26 26 ALA C C 38 173.000 173.000 179.355 -6.355 17914 67 1 . 1 1 26 26 ALA CA C 38 53.130 53.130 54.826 -1.696 17914 68 1 . 1 1 27 27 LEU N N 39 117.400 117.400 116.428 0.972 17914 69 1 . 1 1 27 27 LEU C C 39 178.100 178.100 177.900 0.200 17914 70 1 . 1 1 27 27 LEU CA C 39 55.300 55.300 56.907 -1.607 17914 71 1 . 1 1 28 28 THR N N 40 103.800 103.800 110.066 -6.266 17914 72 1 . 1 1 28 28 THR C C 40 173.100 173.100 175.305 -2.205 17914 73 1 . 1 1 28 28 THR CA C 40 59.700 59.700 62.146 -2.446 17914 74 1 . 1 1 29 29 GLY N N 41 109.800 109.800 110.201 -0.401 17914 75 1 . 1 1 29 29 GLY C C 41 172.600 172.600 173.339 -0.739 17914 76 1 . 1 1 29 29 GLY CA C 41 45.460 45.460 44.532 0.927 17914 77 1 . 1 1 30 30 TYR N N 42 118.700 118.700 121.951 -3.251 17914 78 1 . 1 1 30 30 TYR C C 42 172.800 172.800 177.403 -4.603 17914 79 1 . 1 1 30 30 TYR CA C 42 56.600 56.600 58.666 -2.065 17914 80 1 . 1 1 31 31 LEU N N 43 120.900 120.900 124.210 -3.310 17914 81 1 . 1 1 31 31 LEU C C 43 173.600 173.600 177.727 -4.127 17914 82 1 . 1 1 31 31 LEU CA C 43 55.750 55.750 57.873 -2.123 17914 83 1 . 1 1 32 32 ASP N N 44 116.400 116.400 117.444 -1.044 17914 84 1 . 1 1 32 32 ASP C C 44 181.400 181.400 178.320 3.080 17914 85 1 . 1 1 32 32 ASP CA C 44 54.400 54.400 56.198 -1.798 17914 86 1 . 1 1 33 33 TYR N N 45 116.900 116.900 119.738 -2.838 17914 87 1 . 1 1 33 33 TYR C C 45 174.100 174.100 176.215 -2.115 17914 88 1 . 1 1 33 33 TYR CA C 45 55.800 55.800 59.433 -3.633 17914 89 1 . 1 1 34 34 VAL N N 46 114.700 114.700 118.681 -3.981 17914 90 1 . 1 1 34 34 VAL C C 46 175.800 175.800 175.493 0.307 17914 91 1 . 1 1 34 34 VAL CA C 46 60.390 60.390 62.235 -1.845 17914 92 1 . 1 1 35 35 LEU N N 47 120.200 120.200 121.107 -0.907 17914 93 1 . 1 1 35 35 LEU C C 47 175.800 175.800 178.139 -2.339 17914 94 1 . 1 1 35 35 LEU CA C 47 56.350 56.350 57.338 -0.988 17914 95 1 . 1 1 36 36 LEU N N 48 116.300 116.300 120.636 -4.336 17914 96 1 . 1 1 36 36 LEU C C 48 176.700 176.700 176.560 0.140 17914 97 1 . 1 1 36 36 LEU CA C 48 57.160 57.160 59.698 -2.538 17914 98 1 . 1 1 38 38 ALA N N 50 116.400 116.400 121.703 -5.304 17914 99 1 . 1 1 38 38 ALA C C 50 181.300 181.300 180.056 1.244 17914 100 1 . 1 1 38 38 ALA CA C 50 54.670 54.670 54.949 -0.279 17914 101 1 . 1 1 39 39 LEU N N 51 117.300 117.300 118.928 -1.628 17914 102 1 . 1 1 39 39 LEU C C 51 175.500 175.500 178.646 -3.146 17914 103 1 . 1 1 39 39 LEU CA C 51 55.870 55.870 57.189 -1.320 17914 104 1 . 1 1 40 40 ALA N N 52 120.300 120.300 122.076 -1.776 17914 105 1 . 1 1 40 40 ALA C C 52 174.300 174.300 179.803 -5.503 17914 106 1 . 1 1 40 40 ALA CA C 52 53.860 53.860 55.007 -1.147 17914 107 1 . 1 1 41 41 ILE N N 53 117.500 117.500 118.223 -0.723 17914 108 1 . 1 1 41 41 ILE C C 53 175.000 175.000 177.641 -2.641 17914 109 1 . 1 1 41 41 ILE CA C 53 64.650 64.650 64.012 0.638 17914 110 1 . 1 1 42 42 PHE N N 54 119.100 119.100 119.122 -0.022 17914 111 1 . 1 1 42 42 PHE C C 54 178.700 178.700 177.899 0.801 17914 112 1 . 1 1 42 42 PHE CA C 54 59.800 59.800 62.018 -2.218 17914 113 1 . 1 1 43 43 ILE N N 55 120.900 120.900 119.422 1.478 17914 114 1 . 1 1 43 43 ILE C C 55 173.300 173.300 178.225 -4.925 17914 115 1 . 1 1 43 43 ILE CA C 55 63.460 63.460 64.193 -0.733 17914 116 1 . 1 1 44 44 GLY N N 56 109.200 109.200 108.010 1.190 17914 117 1 . 1 1 44 44 GLY C C 56 172.700 172.700 176.325 -3.625 17914 118 1 . 1 1 44 44 GLY CA C 56 45.900 45.900 47.132 -1.232 17914 119 1 . 1 1 45 45 LEU N N 57 120.100 120.100 121.216 -1.116 17914 120 1 . 1 1 45 45 LEU C C 57 176.000 176.000 178.760 -2.760 17914 121 1 . 1 1 45 45 LEU CA C 57 56.220 56.220 57.200 -0.980 17914 122 1 . 1 1 46 46 THR N N 58 116.700 116.700 116.384 0.316 17914 123 1 . 1 1 46 46 THR C C 58 175.000 175.000 177.335 -2.335 17914 124 1 . 1 1 46 46 THR CA C 58 64.610 64.610 66.714 -2.104 17914 125 1 . 1 1 47 47 ILE N N 59 120.500 120.500 121.465 -0.965 17914 126 1 . 1 1 47 47 ILE C C 59 175.300 175.300 177.414 -2.114 17914 127 1 . 1 1 47 47 ILE CA C 59 65.200 65.200 63.995 1.205 17914 128 1 . 1 1 48 48 TYR N N 60 120.100 120.100 120.529 -0.429 17914 129 1 . 1 1 48 48 TYR C C 60 175.200 175.200 176.609 -1.409 17914 130 1 . 1 1 48 48 TYR CA C 60 59.300 59.300 61.279 -1.979 17914 131 1 . 1 1 49 49 ALA N N 61 122.500 122.500 121.870 0.630 17914 132 1 . 1 1 49 49 ALA C C 61 177.500 177.500 179.453 -1.953 17914 133 1 . 1 1 49 49 ALA CA C 61 53.220 53.220 55.175 -1.955 17914 134 1 . 1 1 50 50 ILE N N 62 118.500 118.500 116.949 1.551 17914 135 1 . 1 1 50 50 ILE C C 62 173.500 173.500 177.657 -4.157 17914 136 1 . 1 1 50 50 ILE CA C 62 64.110 64.110 63.225 0.884 17914 137 1 . 1 1 51 51 GLN N N 63 119.700 119.700 120.009 -0.309 17914 138 1 . 1 1 51 51 GLN C C 63 176.100 176.100 177.946 -1.846 17914 139 1 . 1 1 51 51 GLN CA C 63 56.500 56.500 59.038 -2.538 17914 140 1 . 1 1 52 52 ARG N N 64 118.900 118.900 119.179 -0.279 17914 141 1 . 1 1 52 52 ARG C C 64 176.200 176.200 178.555 -2.355 17914 142 1 . 1 1 52 52 ARG CA C 64 56.840 56.840 59.413 -2.573 17914 143 1 . 1 1 53 53 LYS N N 65 120.200 120.200 118.128 2.072 17914 144 1 . 1 1 53 53 LYS C C 65 176.100 176.100 178.461 -2.361 17914 145 1 . 1 1 53 53 LYS CA C 65 56.100 56.100 58.619 -2.520 17914 146 1 . 1 1 54 54 ARG N N 66 118.500 118.500 118.854 -0.354 17914 147 1 . 1 1 54 54 ARG C C 66 173.600 173.600 178.579 -4.979 17914 148 1 . 1 1 54 54 ARG CA C 66 57.500 57.500 58.640 -1.141 17914 149 1 . 1 1 55 55 GLN N N 67 117.900 117.900 117.716 0.184 17914 150 1 . 1 1 55 55 GLN C C 67 177.500 177.500 177.246 0.254 17914 151 1 . 1 1 55 55 GLN CA C 67 55.600 55.600 57.988 -2.388 17914 152 1 . 1 1 56 56 ALA C C 68 51.630 51.630 177.164 -125.534 17914 153 1 . 1 1 56 56 ALA CA C 68 123.900 123.900 52.753 71.147 17914 154 1 . 1 1 57 57 ASP N N 69 105.000 105.000 118.944 -13.944 17914 155 1 . 1 1 57 57 ASP C C 69 53.960 53.960 176.047 -122.087 17914 156 1 . 1 1 57 57 ASP CA C 69 118.900 118.900 54.953 63.947 17914 157 1 . 1 1 58 58 ALA N N 70 125.500 125.500 122.968 2.532 17914 158 1 . 1 1 58 58 ALA C C 70 175.600 175.600 177.628 -2.028 17914 159 1 . 1 1 58 58 ALA CA C 70 50.600 50.600 52.844 -2.244 17914 160 1 . 1 1 59 59 SER N N 71 113.800 113.800 116.513 -2.713 17914 161 1 . 1 1 59 59 SER C C 71 175.900 175.900 174.408 1.492 17914 162 1 . 1 1 59 59 SER CA C 71 56.170 56.170 58.744 -2.574 17914 stop_ save_