REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3gnc_1_A DATA FIRST_RESID 3 DATA SEQUENCE AATFHWDDPL LLDQQLADDE RMVRDAAHAY AQGKLAPRVT EAFRHETTDA DATA SEQUENCE AIFREMGEIG LLGPTIPEQY GGPGLDYVSY GLIAREVERV DSGYRSMMSV DATA SEQUENCE QSSLVMVPIF EFGSDAQKEK YLPKLATGEW IGCFGLTEPX XXXXXXXMVT DATA SEQUENCE RARKVPGGYS LSGSKMWITN SPIADVFVVW AKLDEDXRDE IRGFILEKGC DATA SEQUENCE KGLSAPAIHG KVGLRASITG EIVLDEAFVP EENILPHVKG LRGPFTCLNS DATA SEQUENCE ARYGIAWGAL GAAESCWHIA RQYVLDRKQF GRPLAANQLI QKKLADMQTE DATA SEQUENCE ITLGLQGVLR LGRMKDEGTA AVEITSIMKR NSCGKALDIA RLARDMLGGN DATA SEQUENCE GXXDEFGVAR HLVNLEVVNT YEGTHDIHAL ILGRAQTGIQ A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.614 177.584 0.050 0.000 1.274 3 A CA 0.000 52.058 52.037 0.035 0.000 0.836 3 A CB 0.000 19.017 19.000 0.029 0.000 0.831 4 A N 2.224 125.080 122.820 0.059 0.000 2.450 4 A HA 0.656 4.995 4.320 0.032 0.000 0.255 4 A C 0.626 178.278 177.584 0.113 0.000 1.096 4 A CA 0.619 52.708 52.037 0.087 0.000 0.778 4 A CB -0.204 18.848 19.000 0.087 0.000 1.031 4 A HN 1.128 nan 8.150 nan 0.000 0.494 5 T N 1.967 116.607 114.554 0.144 0.000 2.902 5 T HA 0.468 4.838 4.350 0.032 0.000 0.283 5 T C -0.333 174.522 174.700 0.259 0.000 1.009 5 T CA -0.183 62.006 62.100 0.148 0.000 1.051 5 T CB 0.911 69.811 68.868 0.054 0.000 0.999 5 T HN 0.451 nan 8.240 nan 0.000 0.474 6 F N 2.146 122.134 119.950 0.063 0.000 2.396 6 F HA 0.347 4.894 4.527 0.032 0.000 0.343 6 F C 0.042 175.869 175.800 0.043 0.000 1.104 6 F CA -0.577 57.494 58.000 0.119 0.000 1.161 6 F CB 0.542 39.605 39.000 0.104 0.000 1.146 6 F HN 0.606 nan 8.300 nan 0.000 0.522 7 H N 7.188 125.893 119.070 -0.608 0.000 2.691 7 H HA 0.080 4.655 4.556 0.033 0.000 0.281 7 H C 0.524 175.258 175.328 -0.990 0.000 1.121 7 H CA -0.922 54.743 56.048 -0.640 0.000 1.254 7 H CB 0.196 29.712 29.762 -0.410 0.000 1.390 7 H HN 0.756 nan 8.280 nan 0.000 0.491 8 W N 3.532 124.399 121.300 -0.720 0.000 2.350 8 W HA -0.162 4.517 4.660 0.033 0.000 0.289 8 W C 0.279 176.781 176.519 -0.028 0.000 1.215 8 W CA 1.381 58.473 57.345 -0.422 0.000 1.236 8 W CB -0.186 29.264 29.460 -0.017 0.000 1.130 8 W HN 0.534 nan 8.180 nan 0.000 0.541 9 D N -0.248 119.517 120.400 -1.058 0.000 2.349 9 D HA -0.076 4.584 4.640 0.032 0.000 0.215 9 D C -0.164 175.982 176.300 -0.256 0.000 1.016 9 D CA 0.489 53.941 54.000 -0.912 0.000 0.870 9 D CB -0.446 39.357 40.800 -1.663 0.000 0.917 9 D HN 0.095 nan 8.370 nan 0.000 0.524 10 D N -0.291 119.973 120.400 -0.227 0.000 3.285 10 D HA 0.177 4.836 4.640 0.032 0.000 0.273 10 D C -2.170 174.058 176.300 -0.119 0.000 1.295 10 D CA -1.437 52.490 54.000 -0.121 0.000 0.762 10 D CB 1.208 41.907 40.800 -0.169 0.000 1.379 10 D HN -0.193 nan 8.370 nan 0.000 0.612 11 P HA -0.017 nan 4.420 nan 0.000 0.216 11 P C 1.245 178.582 177.300 0.062 0.000 1.150 11 P CA 0.836 63.941 63.100 0.008 0.000 0.837 11 P CB 0.328 32.152 31.700 0.205 0.000 0.786 12 L N -1.194 120.044 121.223 0.025 0.000 2.653 12 L HA 0.180 4.539 4.340 0.032 0.000 0.231 12 L C 0.255 177.104 176.870 -0.034 0.000 1.153 12 L CA -0.219 54.628 54.840 0.013 0.000 0.933 12 L CB -0.636 41.429 42.059 0.012 0.000 1.175 12 L HN -0.087 nan 8.230 nan 0.000 0.473 13 L N 0.148 121.316 121.223 -0.091 0.000 3.795 13 L HA -0.269 4.090 4.340 0.032 0.000 0.489 13 L C 1.569 178.389 176.870 -0.083 0.000 1.259 13 L CA -0.252 54.499 54.840 -0.148 0.000 0.765 13 L CB -1.111 40.845 42.059 -0.171 0.000 1.519 13 L HN 0.317 nan 8.230 nan 0.000 0.842 14 L N 0.696 121.887 121.223 -0.053 0.000 2.043 14 L HA -0.216 4.143 4.340 0.032 0.000 0.212 14 L C 2.030 178.893 176.870 -0.011 0.000 1.075 14 L CA 2.682 57.516 54.840 -0.009 0.000 0.752 14 L CB -0.319 41.752 42.059 0.020 0.000 0.891 14 L HN 0.554 nan 8.230 nan 0.000 0.432 15 D N -0.774 119.597 120.400 -0.048 0.000 2.149 15 D HA -0.283 4.377 4.640 0.032 0.000 0.194 15 D C 2.007 178.278 176.300 -0.048 0.000 1.001 15 D CA 1.807 55.773 54.000 -0.056 0.000 0.849 15 D CB -0.134 40.606 40.800 -0.101 0.000 0.939 15 D HN 0.618 nan 8.370 nan 0.000 0.449 16 Q N -0.990 118.774 119.800 -0.061 0.000 2.472 16 Q HA 0.003 4.363 4.340 0.032 0.000 0.208 16 Q C 1.529 177.517 176.000 -0.020 0.000 0.958 16 Q CA 0.363 56.138 55.803 -0.046 0.000 0.932 16 Q CB 0.191 28.892 28.738 -0.061 0.000 1.007 16 Q HN 0.535 nan 8.270 nan 0.000 0.508 17 Q N -0.118 119.678 119.800 -0.006 0.000 2.319 17 Q HA 0.177 4.536 4.340 0.032 0.000 0.202 17 Q C 0.034 176.052 176.000 0.029 0.000 0.896 17 Q CA -0.010 55.802 55.803 0.015 0.000 0.942 17 Q CB 0.597 29.351 28.738 0.026 0.000 1.083 17 Q HN 0.275 nan 8.270 nan 0.000 0.510 18 L N 0.504 121.740 121.223 0.021 0.000 2.379 18 L HA 0.496 4.855 4.340 0.032 0.000 0.269 18 L C 0.231 177.106 176.870 0.009 0.000 1.084 18 L CA -0.961 53.893 54.840 0.023 0.000 0.802 18 L CB 0.727 42.794 42.059 0.014 0.000 1.175 18 L HN 0.005 nan 8.230 nan 0.000 0.448 19 A N 0.749 123.574 122.820 0.008 0.000 2.287 19 A HA 0.179 4.518 4.320 0.032 0.000 0.273 19 A C 0.526 178.105 177.584 -0.009 0.000 1.091 19 A CA -0.445 51.592 52.037 -0.001 0.000 0.817 19 A CB 0.314 19.314 19.000 0.001 0.000 1.069 19 A HN 0.836 nan 8.150 nan 0.000 0.492 20 D N 0.225 120.618 120.400 -0.012 0.000 2.092 20 D HA -0.167 4.492 4.640 0.032 0.000 0.193 20 D C 1.329 177.617 176.300 -0.020 0.000 0.994 20 D CA 1.758 55.747 54.000 -0.017 0.000 0.828 20 D CB -0.237 40.553 40.800 -0.016 0.000 0.963 20 D HN 0.688 nan 8.370 nan 0.000 0.450 21 D N 0.623 121.011 120.400 -0.021 0.000 2.370 21 D HA -0.243 4.417 4.640 0.032 0.000 0.190 21 D C 1.771 178.053 176.300 -0.031 0.000 1.019 21 D CA 1.601 55.585 54.000 -0.026 0.000 0.869 21 D CB -0.083 40.703 40.800 -0.024 0.000 0.944 21 D HN 0.379 nan 8.370 nan 0.000 0.456 22 E N -0.631 119.552 120.200 -0.028 0.000 2.076 22 E HA -0.053 4.316 4.350 0.032 0.000 0.190 22 E C 2.394 178.971 176.600 -0.038 0.000 0.979 22 E CA 0.183 56.561 56.400 -0.037 0.000 0.807 22 E CB 0.029 29.713 29.700 -0.027 0.000 0.761 22 E HN 0.171 nan 8.360 nan 0.000 0.454 23 R N 0.546 121.029 120.500 -0.028 0.000 2.096 23 R HA -0.089 4.271 4.340 0.032 0.000 0.235 23 R C 2.229 178.512 176.300 -0.029 0.000 1.127 23 R CA 1.220 57.302 56.100 -0.029 0.000 0.968 23 R CB -0.023 30.259 30.300 -0.029 0.000 0.861 23 R HN 0.187 nan 8.270 nan 0.000 0.440 24 M N -0.449 119.135 119.600 -0.026 0.000 2.132 24 M HA -0.156 4.344 4.480 0.032 0.000 0.263 24 M C 2.187 178.476 176.300 -0.019 0.000 1.065 24 M CA 1.264 56.551 55.300 -0.021 0.000 1.122 24 M CB -0.005 32.581 32.600 -0.022 0.000 1.365 24 M HN 0.014 nan 8.290 nan 0.000 0.411 25 V N 0.235 120.132 119.914 -0.029 0.000 2.295 25 V HA -0.293 3.846 4.120 0.032 0.000 0.246 25 V C 2.423 178.506 176.094 -0.018 0.000 1.049 25 V CA 1.934 64.215 62.300 -0.031 0.000 1.024 25 V CB -0.851 30.942 31.823 -0.050 0.000 0.648 25 V HN 0.482 nan 8.190 nan 0.000 0.447 26 R N -0.013 120.472 120.500 -0.024 0.000 2.081 26 R HA -0.198 4.162 4.340 0.032 0.000 0.235 26 R C 2.038 178.360 176.300 0.037 0.000 1.131 26 R CA 2.094 58.191 56.100 -0.006 0.000 0.960 26 R CB -0.400 29.886 30.300 -0.023 0.000 0.856 26 R HN 0.526 nan 8.270 nan 0.000 0.436 27 D N 0.221 120.632 120.400 0.017 0.000 2.117 27 D HA -0.130 4.530 4.640 0.032 0.000 0.197 27 D C 1.712 178.066 176.300 0.090 0.000 0.987 27 D CA 1.534 55.556 54.000 0.038 0.000 0.829 27 D CB -0.238 40.562 40.800 0.001 0.000 0.961 27 D HN 0.379 nan 8.370 nan 0.000 0.460 28 A N 0.979 123.833 122.820 0.057 0.000 1.898 28 A HA 0.029 4.368 4.320 0.032 0.000 0.216 28 A C 2.303 179.945 177.584 0.097 0.000 1.181 28 A CA 1.973 54.046 52.037 0.060 0.000 0.620 28 A CB -0.599 18.412 19.000 0.019 0.000 0.819 28 A HN 0.227 nan 8.150 nan 0.000 0.442 29 A N -0.859 122.015 122.820 0.089 0.000 1.898 29 A HA -0.151 4.189 4.320 0.032 0.000 0.216 29 A C 1.997 179.667 177.584 0.142 0.000 1.181 29 A CA 2.025 54.131 52.037 0.115 0.000 0.620 29 A CB -0.886 18.157 19.000 0.071 0.000 0.819 29 A HN 0.778 nan 8.150 nan 0.000 0.442 30 H N -0.066 119.030 119.070 0.043 0.000 2.321 30 H HA 0.001 4.577 4.556 0.032 0.000 0.300 30 H C 2.180 177.520 175.328 0.020 0.000 1.087 30 H CA 2.144 58.208 56.048 0.027 0.000 1.319 30 H CB -0.223 29.547 29.762 0.013 0.000 1.379 30 H HN 0.386 nan 8.280 nan 0.000 0.501 31 A N -0.129 122.759 122.820 0.112 0.000 1.902 31 A HA -0.219 4.120 4.320 0.032 0.000 0.217 31 A C 2.372 179.947 177.584 -0.015 0.000 1.181 31 A CA 1.659 53.721 52.037 0.042 0.000 0.623 31 A CB -1.430 17.625 19.000 0.091 0.000 0.818 31 A HN 0.741 nan 8.150 nan 0.000 0.443 32 Y N 0.438 120.702 120.300 -0.060 0.000 2.114 32 Y HA -0.100 4.470 4.550 0.033 0.000 0.284 32 Y C 2.653 178.483 175.900 -0.116 0.000 1.143 32 Y CA 1.736 59.789 58.100 -0.079 0.000 1.135 32 Y CB -0.444 37.975 38.460 -0.069 0.000 0.980 32 Y HN 0.308 nan 8.280 nan 0.000 0.499 33 A N 0.257 122.884 122.820 -0.322 0.000 1.877 33 A HA -0.204 4.136 4.320 0.032 0.000 0.216 33 A C 2.063 179.421 177.584 -0.376 0.000 1.186 33 A CA 1.817 53.612 52.037 -0.403 0.000 0.620 33 A CB -0.636 18.276 19.000 -0.147 0.000 0.822 33 A HN 0.581 nan 8.150 nan 0.000 0.443 34 Q N -0.639 118.955 119.800 -0.344 0.000 2.123 34 Q HA -0.059 4.300 4.340 0.032 0.000 0.199 34 Q C 2.212 178.075 176.000 -0.228 0.000 0.966 34 Q CA 1.473 57.102 55.803 -0.289 0.000 0.845 34 Q CB -0.918 27.593 28.738 -0.378 0.000 0.907 34 Q HN 0.640 nan 8.270 nan 0.000 0.439 35 G N 1.008 109.669 108.800 -0.233 0.000 2.402 35 G HA2 -0.183 3.796 3.960 0.032 0.000 0.216 35 G HA3 -0.183 3.796 3.960 0.032 0.000 0.216 35 G C 1.566 176.337 174.900 -0.216 0.000 1.162 35 G CA 0.513 45.509 45.100 -0.173 0.000 0.777 35 G HN 0.149 nan 8.290 nan 0.000 0.539 36 K N -0.608 119.558 120.400 -0.389 0.000 2.387 36 K HA 0.360 4.699 4.320 0.032 0.000 0.197 36 K C 2.345 178.685 176.600 -0.434 0.000 1.127 36 K CA -0.034 56.007 56.287 -0.411 0.000 0.950 36 K CB 0.111 32.279 32.500 -0.553 0.000 1.017 36 K HN 0.284 nan 8.250 nan 0.000 0.519 37 L N 0.612 121.509 121.223 -0.544 0.000 2.168 37 L HA 0.109 4.469 4.340 0.032 0.000 0.203 37 L C 2.482 179.248 176.870 -0.173 0.000 1.078 37 L CA 0.826 55.386 54.840 -0.466 0.000 0.780 37 L CB -0.496 41.204 42.059 -0.599 0.000 0.939 37 L HN 0.001 nan 8.230 nan 0.000 0.451 38 A N 0.967 123.702 122.820 -0.142 0.000 1.908 38 A HA -0.123 4.216 4.320 0.032 0.000 0.218 38 A C -0.062 177.509 177.584 -0.022 0.000 1.181 38 A CA 1.666 53.674 52.037 -0.048 0.000 0.627 38 A CB -1.812 17.150 19.000 -0.063 0.000 0.818 38 A HN 0.268 nan 8.150 nan 0.000 0.445 39 P HA -0.118 nan 4.420 nan 0.000 0.220 39 P C 1.324 178.629 177.300 0.010 0.000 1.148 39 P CA 1.110 64.198 63.100 -0.021 0.000 0.803 39 P CB -0.084 31.591 31.700 -0.040 0.000 0.782 40 R N -1.073 119.436 120.500 0.015 0.000 2.161 40 R HA 0.044 4.403 4.340 0.032 0.000 0.213 40 R C 2.178 178.565 176.300 0.145 0.000 1.055 40 R CA 0.337 56.482 56.100 0.075 0.000 0.996 40 R CB -1.033 29.310 30.300 0.072 0.000 0.901 40 R HN 0.083 nan 8.270 nan 0.000 0.456 41 V N 0.972 120.982 119.914 0.161 0.000 2.343 41 V HA -0.246 3.894 4.120 0.032 0.000 0.247 41 V C 1.727 177.889 176.094 0.114 0.000 1.051 41 V CA 2.288 64.703 62.300 0.191 0.000 1.036 41 V CB -0.222 31.695 31.823 0.157 0.000 0.654 41 V HN 0.340 nan 8.190 nan 0.000 0.451 42 T N -0.172 114.428 114.554 0.076 0.000 2.708 42 T HA -0.143 4.227 4.350 0.032 0.000 0.266 42 T C 1.810 176.571 174.700 0.101 0.000 1.037 42 T CA 1.658 63.798 62.100 0.066 0.000 1.146 42 T CB -0.245 68.648 68.868 0.043 0.000 0.865 42 T HN 0.490 nan 8.240 nan 0.000 0.435 43 E N 0.978 121.241 120.200 0.105 0.000 2.158 43 E HA 0.142 4.511 4.350 0.032 0.000 0.191 43 E C 2.509 179.191 176.600 0.137 0.000 0.982 43 E CA 0.790 57.265 56.400 0.125 0.000 0.823 43 E CB -0.472 29.319 29.700 0.151 0.000 0.766 43 E HN 0.486 nan 8.360 nan 0.000 0.468 44 A N 0.782 123.691 122.820 0.147 0.000 1.902 44 A HA -0.171 4.168 4.320 0.032 0.000 0.217 44 A C 2.088 179.733 177.584 0.102 0.000 1.181 44 A CA 1.150 53.274 52.037 0.146 0.000 0.623 44 A CB -0.783 18.334 19.000 0.194 0.000 0.818 44 A HN 0.261 nan 8.150 nan 0.000 0.443 45 F N 0.326 120.250 119.950 -0.042 0.000 2.075 45 F HA -0.145 4.402 4.527 0.032 0.000 0.297 45 F C 2.382 178.128 175.800 -0.090 0.000 1.113 45 F CA 2.093 60.044 58.000 -0.081 0.000 1.218 45 F CB -0.323 38.611 39.000 -0.110 0.000 0.984 45 F HN 0.183 nan 8.300 nan 0.000 0.472 46 R N -0.745 119.744 120.500 -0.018 0.000 2.094 46 R HA -0.205 4.154 4.340 0.032 0.000 0.239 46 R C 1.499 177.515 176.300 -0.474 0.000 1.137 46 R CA 2.159 58.087 56.100 -0.287 0.000 0.943 46 R CB -0.485 29.581 30.300 -0.390 0.000 0.850 46 R HN 0.403 nan 8.270 nan 0.000 0.433 47 H N -0.953 118.103 119.070 -0.023 0.000 2.542 47 H HA 0.154 4.729 4.556 0.032 0.000 0.283 47 H C -0.305 175.010 175.328 -0.021 0.000 1.059 47 H CA 0.063 56.095 56.048 -0.027 0.000 1.162 47 H CB 0.583 30.341 29.762 -0.006 0.000 1.539 47 H HN 0.346 nan 8.280 nan 0.000 0.543 48 E N 1.265 121.477 120.200 0.020 0.000 2.320 48 E HA -0.135 4.235 4.350 0.032 0.000 0.234 48 E C -0.631 176.051 176.600 0.136 0.000 1.183 48 E CA 0.220 56.654 56.400 0.057 0.000 0.713 48 E CB -0.964 28.816 29.700 0.133 0.000 1.226 48 E HN 0.285 nan 8.360 nan 0.000 0.382 49 T N 1.080 115.710 114.554 0.125 0.000 2.928 49 T HA 0.072 4.441 4.350 0.032 0.000 0.305 49 T C 0.353 175.147 174.700 0.156 0.000 1.035 49 T CA 0.396 62.579 62.100 0.138 0.000 1.145 49 T CB 0.876 69.828 68.868 0.140 0.000 0.963 49 T HN 0.074 nan 8.240 nan 0.000 0.545 50 T N 4.039 118.689 114.554 0.160 0.000 2.738 50 T HA 0.211 4.580 4.350 0.032 0.000 0.298 50 T C -0.127 174.667 174.700 0.156 0.000 0.962 50 T CA -0.543 61.658 62.100 0.169 0.000 0.972 50 T CB 0.410 69.379 68.868 0.169 0.000 0.928 50 T HN 0.470 nan 8.240 nan 0.000 0.474 51 D N 2.582 123.086 120.400 0.173 0.000 2.432 51 D HA 0.422 5.082 4.640 0.032 0.000 0.265 51 D C 0.895 177.302 176.300 0.179 0.000 1.160 51 D CA -0.539 53.553 54.000 0.152 0.000 0.911 51 D CB 1.071 41.951 40.800 0.133 0.000 1.052 51 D HN 0.551 nan 8.370 nan 0.000 0.508 52 A N 2.226 125.165 122.820 0.199 0.000 2.121 52 A HA 0.016 4.356 4.320 0.032 0.000 0.218 52 A C 2.038 179.794 177.584 0.286 0.000 1.154 52 A CA 1.332 53.542 52.037 0.287 0.000 0.679 52 A CB -0.003 19.125 19.000 0.214 0.000 0.795 52 A HN 0.513 nan 8.150 nan 0.000 0.458 53 A N 0.163 123.088 122.820 0.176 0.000 2.125 53 A HA -0.061 4.279 4.320 0.032 0.000 0.219 53 A C 1.914 179.568 177.584 0.118 0.000 1.156 53 A CA 1.231 53.350 52.037 0.137 0.000 0.671 53 A CB -0.643 18.413 19.000 0.093 0.000 0.794 53 A HN 0.545 nan 8.150 nan 0.000 0.459 54 I N -1.702 118.917 120.570 0.081 0.000 2.264 54 I HA -0.281 3.908 4.170 0.032 0.000 0.248 54 I C 2.127 178.192 176.117 -0.087 0.000 1.111 54 I CA 1.366 62.648 61.300 -0.029 0.000 1.382 54 I CB -0.434 37.474 38.000 -0.154 0.000 1.060 54 I HN 0.338 nan 8.210 nan 0.000 0.418 55 F N 0.941 120.915 119.950 0.040 0.000 2.102 55 F HA -0.169 4.378 4.527 0.032 0.000 0.298 55 F C 2.751 178.540 175.800 -0.017 0.000 1.105 55 F CA 1.432 59.442 58.000 0.017 0.000 1.239 55 F CB -0.567 38.458 39.000 0.042 0.000 0.991 55 F HN -0.145 nan 8.300 nan 0.000 0.474 56 R N 0.306 120.916 120.500 0.184 0.000 2.073 56 R HA -0.166 4.194 4.340 0.032 0.000 0.234 56 R C 2.104 178.398 176.300 -0.010 0.000 1.134 56 R CA 1.748 57.893 56.100 0.075 0.000 0.952 56 R CB -0.486 29.856 30.300 0.070 0.000 0.850 56 R HN 0.368 nan 8.270 nan 0.000 0.433 57 E N 0.143 120.328 120.200 -0.026 0.000 2.097 57 E HA -0.239 4.130 4.350 0.032 0.000 0.196 57 E C 2.051 178.434 176.600 -0.363 0.000 1.000 57 E CA 1.538 57.869 56.400 -0.116 0.000 0.804 57 E CB -0.066 29.644 29.700 0.017 0.000 0.740 57 E HN 0.346 nan 8.360 nan 0.000 0.454 58 M N -0.175 119.206 119.600 -0.365 0.000 2.123 58 M HA -0.055 4.444 4.480 0.032 0.000 0.263 58 M C 2.523 178.678 176.300 -0.242 0.000 1.069 58 M CA 1.484 56.520 55.300 -0.441 0.000 1.133 58 M CB -0.413 32.015 32.600 -0.287 0.000 1.356 58 M HN 0.200 nan 8.290 nan 0.000 0.415 59 G N -0.105 108.627 108.800 -0.113 0.000 2.418 59 G HA2 -0.228 3.751 3.960 0.032 0.000 0.217 59 G HA3 -0.228 3.751 3.960 0.032 0.000 0.217 59 G C 1.293 176.138 174.900 -0.092 0.000 1.158 59 G CA 0.880 45.938 45.100 -0.068 0.000 0.771 59 G HN 0.475 nan 8.290 nan 0.000 0.545 60 E N 0.068 120.209 120.200 -0.099 0.000 2.136 60 E HA -0.203 4.166 4.350 0.032 0.000 0.202 60 E C 2.324 178.864 176.600 -0.099 0.000 1.019 60 E CA 1.493 57.839 56.400 -0.090 0.000 0.819 60 E CB -0.213 29.436 29.700 -0.085 0.000 0.739 60 E HN 0.755 nan 8.360 nan 0.000 0.458 61 I N -3.967 116.519 120.570 -0.141 0.000 3.883 61 I HA 0.319 4.508 4.170 0.032 0.000 0.326 61 I C 1.040 177.093 176.117 -0.107 0.000 1.283 61 I CA 0.356 61.583 61.300 -0.122 0.000 1.161 61 I CB 0.440 38.354 38.000 -0.144 0.000 1.012 61 I HN 0.088 nan 8.210 nan 0.000 0.421 62 G N 2.426 111.161 108.800 -0.108 0.000 2.248 62 G HA2 -0.203 3.776 3.960 0.032 0.000 0.252 62 G HA3 -0.203 3.776 3.960 0.032 0.000 0.252 62 G C 0.288 175.129 174.900 -0.099 0.000 1.085 62 G CA 0.189 45.232 45.100 -0.095 0.000 0.845 62 G HN 0.429 nan 8.290 nan 0.000 0.494 63 L N -1.006 120.150 121.223 -0.112 0.000 2.616 63 L HA 0.372 4.732 4.340 0.032 0.000 0.229 63 L C 1.288 178.118 176.870 -0.066 0.000 1.110 63 L CA 0.140 54.925 54.840 -0.092 0.000 0.884 63 L CB 0.090 42.073 42.059 -0.127 0.000 1.115 63 L HN 0.230 nan 8.230 nan 0.000 0.481 64 L N 0.464 121.648 121.223 -0.065 0.000 2.289 64 L HA 0.422 4.782 4.340 0.032 0.000 0.285 64 L C 0.960 177.778 176.870 -0.086 0.000 1.049 64 L CA -0.284 54.535 54.840 -0.035 0.000 0.804 64 L CB 1.209 43.282 42.059 0.023 0.000 1.195 64 L HN 0.224 nan 8.230 nan 0.000 0.428 65 G N 3.996 112.716 108.800 -0.133 0.000 2.338 65 G HA2 -0.191 3.788 3.960 0.032 0.000 0.296 65 G HA3 -0.191 3.788 3.960 0.032 0.000 0.296 65 G C -1.589 173.142 174.900 -0.282 0.000 1.040 65 G CA -0.347 44.620 45.100 -0.222 0.000 1.004 65 G HN 0.586 nan 8.290 nan 0.000 0.509 66 P HA -0.205 nan 4.420 nan 0.000 0.217 66 P C 2.149 179.260 177.300 -0.315 0.000 1.158 66 P CA 2.520 65.458 63.100 -0.269 0.000 0.887 66 P CB -0.116 31.445 31.700 -0.232 0.000 0.792 67 T N -4.739 109.551 114.554 -0.439 0.000 3.100 67 T HA 0.083 4.452 4.350 0.032 0.000 0.253 67 T C 0.896 175.316 174.700 -0.467 0.000 1.118 67 T CA -0.079 61.733 62.100 -0.481 0.000 1.058 67 T CB -0.595 67.856 68.868 -0.696 0.000 0.953 67 T HN -0.163 nan 8.240 nan 0.000 0.515 68 I N 3.553 123.858 120.570 -0.442 0.000 2.618 68 I HA 0.259 4.448 4.170 0.032 0.000 0.284 68 I C -2.181 173.725 176.117 -0.352 0.000 1.146 68 I CA -2.785 58.208 61.300 -0.512 0.000 1.425 68 I CB 0.277 38.065 38.000 -0.353 0.000 1.383 68 I HN 0.049 nan 8.210 nan 0.000 0.562 69 P HA 0.059 nan 4.420 nan 0.000 0.269 69 P C 0.467 177.700 177.300 -0.112 0.000 1.217 69 P CA -0.064 62.935 63.100 -0.169 0.000 0.783 69 P CB 0.646 32.304 31.700 -0.070 0.000 0.898 70 E N 0.195 120.327 120.200 -0.114 0.000 2.204 70 E HA -0.226 4.143 4.350 0.032 0.000 0.195 70 E C 1.829 178.346 176.600 -0.137 0.000 0.990 70 E CA 0.989 57.325 56.400 -0.106 0.000 0.821 70 E CB -0.427 29.216 29.700 -0.095 0.000 0.750 70 E HN 0.513 nan 8.360 nan 0.000 0.477 71 Q N -0.499 119.167 119.800 -0.222 0.000 2.248 71 Q HA -0.198 4.161 4.340 0.032 0.000 0.208 71 Q C 0.332 176.037 176.000 -0.491 0.000 0.984 71 Q CA 1.259 56.810 55.803 -0.419 0.000 0.875 71 Q CB 0.110 28.453 28.738 -0.657 0.000 0.910 71 Q HN 0.435 nan 8.270 nan 0.000 0.433 72 Y N -1.873 118.422 120.300 -0.008 0.000 2.706 72 Y HA 0.345 4.913 4.550 0.030 0.000 0.255 72 Y C 1.027 176.906 175.900 -0.034 0.000 1.163 72 Y CA 0.144 58.245 58.100 0.001 0.000 1.174 72 Y CB 1.055 39.547 38.460 0.054 0.000 1.200 72 Y HN 0.159 nan 8.280 nan 0.000 0.544 73 G N -0.419 108.401 108.800 0.034 0.000 2.175 73 G HA2 -0.221 3.758 3.960 0.032 0.000 0.244 73 G HA3 -0.221 3.758 3.960 0.032 0.000 0.244 73 G C 0.685 175.564 174.900 -0.034 0.000 0.982 73 G CA -0.127 44.968 45.100 -0.009 0.000 0.641 73 G HN 0.762 nan 8.290 nan 0.000 0.527 74 G N -0.042 108.731 108.800 -0.044 0.000 2.504 74 G HA2 0.635 4.615 3.960 0.032 0.000 0.288 74 G HA3 0.635 4.615 3.960 0.032 0.000 0.288 74 G C -0.633 174.204 174.900 -0.105 0.000 1.182 74 G CA -0.411 44.633 45.100 -0.093 0.000 0.894 74 G HN 0.097 nan 8.290 nan 0.000 0.521 75 P HA 0.070 nan 4.420 nan 0.000 0.241 75 P C 1.107 178.336 177.300 -0.119 0.000 1.191 75 P CA 0.846 63.881 63.100 -0.108 0.000 0.771 75 P CB 0.400 32.038 31.700 -0.104 0.000 0.929 76 G N 0.465 109.175 108.800 -0.150 0.000 2.273 76 G HA2 -0.253 3.727 3.960 0.032 0.000 0.280 76 G HA3 -0.253 3.727 3.960 0.032 0.000 0.280 76 G C -0.037 174.775 174.900 -0.147 0.000 1.047 76 G CA -0.044 44.963 45.100 -0.155 0.000 0.869 76 G HN 0.290 nan 8.290 nan 0.000 0.502 77 L N -0.160 120.963 121.223 -0.166 0.000 2.454 77 L HA 0.562 4.922 4.340 0.032 0.000 0.256 77 L C 0.914 177.673 176.870 -0.185 0.000 1.136 77 L CA -0.764 53.989 54.840 -0.144 0.000 0.804 77 L CB 0.429 42.413 42.059 -0.126 0.000 1.181 77 L HN 0.414 nan 8.230 nan 0.000 0.469 78 D N -1.620 118.699 120.400 -0.135 0.000 2.432 78 D HA 0.062 4.721 4.640 0.032 0.000 0.258 78 D C 0.607 176.840 176.300 -0.112 0.000 1.146 78 D CA -0.245 53.675 54.000 -0.133 0.000 1.015 78 D CB 0.494 41.277 40.800 -0.029 0.000 1.107 78 D HN 0.356 nan 8.370 nan 0.000 0.529 79 Y N -0.196 120.107 120.300 0.006 0.000 2.224 79 Y HA -0.143 4.426 4.550 0.031 0.000 0.289 79 Y C 2.442 178.432 175.900 0.149 0.000 1.146 79 Y CA 1.076 59.211 58.100 0.060 0.000 1.182 79 Y CB -0.471 37.900 38.460 -0.148 0.000 0.983 79 Y HN 0.194 nan 8.280 nan 0.000 0.524 80 V N -1.096 118.953 119.914 0.226 0.000 2.332 80 V HA -0.336 3.803 4.120 0.032 0.000 0.248 80 V C 2.274 178.226 176.094 -0.237 0.000 1.055 80 V CA 2.193 64.522 62.300 0.048 0.000 1.038 80 V CB -0.907 30.974 31.823 0.096 0.000 0.651 80 V HN 0.349 nan 8.190 nan 0.000 0.450 81 S N -1.637 113.998 115.700 -0.108 0.000 2.368 81 S HA -0.221 4.269 4.470 0.032 0.000 0.225 81 S C 1.798 176.330 174.600 -0.113 0.000 1.030 81 S CA 1.713 59.833 58.200 -0.134 0.000 0.999 81 S CB -0.510 62.641 63.200 -0.081 0.000 0.844 81 S HN 0.722 nan 8.310 nan 0.000 0.459 82 Y N 2.027 122.220 120.300 -0.178 0.000 2.114 82 Y HA -0.270 4.300 4.550 0.033 0.000 0.282 82 Y C 2.463 178.196 175.900 -0.277 0.000 1.165 82 Y CA 1.131 59.152 58.100 -0.132 0.000 1.148 82 Y CB -0.653 37.818 38.460 0.017 0.000 0.972 82 Y HN 0.346 nan 8.280 nan 0.000 0.504 83 G N 0.358 108.753 108.800 -0.675 0.000 2.421 83 G HA2 -0.254 3.725 3.960 0.032 0.000 0.216 83 G HA3 -0.254 3.725 3.960 0.032 0.000 0.216 83 G C 1.547 175.738 174.900 -1.183 0.000 1.171 83 G CA 1.146 45.255 45.100 -1.652 0.000 0.775 83 G HN 0.428 nan 8.290 nan 0.000 0.543 84 L N 0.129 120.744 121.223 -1.014 0.000 2.042 84 L HA -0.084 4.276 4.340 0.032 0.000 0.210 84 L C 2.852 179.606 176.870 -0.194 0.000 1.076 84 L CA 0.794 55.360 54.840 -0.457 0.000 0.749 84 L CB -0.387 41.482 42.059 -0.318 0.000 0.893 84 L HN 0.200 nan 8.230 nan 0.000 0.432 85 I N -0.213 120.259 120.570 -0.164 0.000 2.127 85 I HA -0.317 3.873 4.170 0.032 0.000 0.241 85 I C 2.814 178.918 176.117 -0.021 0.000 1.075 85 I CA 1.321 62.596 61.300 -0.041 0.000 1.334 85 I CB -0.501 37.510 38.000 0.018 0.000 1.040 85 I HN 0.216 nan 8.210 nan 0.000 0.405 86 A N 0.681 123.452 122.820 -0.081 0.000 1.908 86 A HA -0.271 4.069 4.320 0.032 0.000 0.218 86 A C 2.419 180.007 177.584 0.006 0.000 1.181 86 A CA 2.007 54.013 52.037 -0.052 0.000 0.627 86 A CB -0.713 18.179 19.000 -0.181 0.000 0.818 86 A HN 0.393 nan 8.150 nan 0.000 0.445 87 R N -0.506 120.009 120.500 0.025 0.000 2.091 87 R HA -0.157 4.202 4.340 0.032 0.000 0.238 87 R C 1.797 178.145 176.300 0.080 0.000 1.136 87 R CA 1.737 57.894 56.100 0.095 0.000 0.959 87 R CB -0.173 30.242 30.300 0.192 0.000 0.856 87 R HN 0.447 nan 8.270 nan 0.000 0.437 88 E N -0.008 120.236 120.200 0.073 0.000 2.152 88 E HA -0.092 4.278 4.350 0.032 0.000 0.192 88 E C 2.072 178.717 176.600 0.075 0.000 0.983 88 E CA 0.980 57.434 56.400 0.091 0.000 0.818 88 E CB -0.047 29.717 29.700 0.106 0.000 0.758 88 E HN 0.231 nan 8.360 nan 0.000 0.467 89 V N 1.108 121.070 119.914 0.079 0.000 2.379 89 V HA -0.200 3.939 4.120 0.032 0.000 0.245 89 V C 2.382 178.549 176.094 0.122 0.000 1.044 89 V CA 1.873 64.232 62.300 0.099 0.000 1.036 89 V CB -0.361 31.529 31.823 0.111 0.000 0.664 89 V HN 0.222 nan 8.190 nan 0.000 0.453 90 E N 0.239 120.499 120.200 0.100 0.000 2.208 90 E HA -0.193 4.177 4.350 0.032 0.000 0.193 90 E C 2.376 179.059 176.600 0.138 0.000 0.988 90 E CA 0.571 57.035 56.400 0.107 0.000 0.828 90 E CB -0.116 29.623 29.700 0.065 0.000 0.763 90 E HN 0.417 nan 8.360 nan 0.000 0.478 91 R N 0.011 120.572 120.500 0.100 0.000 2.133 91 R HA -0.191 4.168 4.340 0.032 0.000 0.247 91 R C 1.872 178.277 176.300 0.176 0.000 1.151 91 R CA 1.743 57.896 56.100 0.088 0.000 0.971 91 R CB -0.130 30.213 30.300 0.072 0.000 0.866 91 R HN 0.144 nan 8.270 nan 0.000 0.447 92 V N -0.547 119.462 119.914 0.158 0.000 2.273 92 V HA -0.050 4.089 4.120 0.032 0.000 0.242 92 V C 0.411 176.593 176.094 0.148 0.000 1.035 92 V CA 1.718 64.112 62.300 0.156 0.000 1.013 92 V CB -0.259 31.639 31.823 0.124 0.000 0.652 92 V HN 0.412 nan 8.190 nan 0.000 0.452 93 D N -2.939 117.554 120.400 0.154 0.000 2.836 93 D HA 0.275 4.935 4.640 0.032 0.000 0.215 93 D C 0.539 176.848 176.300 0.015 0.000 1.255 93 D CA 0.003 53.990 54.000 -0.022 0.000 0.822 93 D CB 1.839 42.500 40.800 -0.231 0.000 1.656 93 D HN -0.082 nan 8.370 nan 0.000 0.511 94 S N 1.302 117.002 115.700 -0.000 0.000 2.400 94 S HA -0.064 4.426 4.470 0.032 0.000 0.232 94 S C 1.964 176.546 174.600 -0.030 0.000 1.025 94 S CA 1.153 59.356 58.200 0.005 0.000 0.993 94 S CB -0.135 63.070 63.200 0.009 0.000 0.808 94 S HN 0.651 nan 8.310 nan 0.000 0.478 95 G N -0.026 108.712 108.800 -0.105 0.000 2.408 95 G HA2 -0.168 3.812 3.960 0.032 0.000 0.217 95 G HA3 -0.168 3.812 3.960 0.032 0.000 0.217 95 G C 1.083 175.932 174.900 -0.085 0.000 1.150 95 G CA 0.449 45.473 45.100 -0.126 0.000 0.776 95 G HN 0.587 nan 8.290 nan 0.000 0.542 96 Y N -0.168 120.140 120.300 0.014 0.000 2.263 96 Y HA 0.032 4.602 4.550 0.032 0.000 0.292 96 Y C 3.015 178.907 175.900 -0.014 0.000 1.130 96 Y CA 0.728 58.819 58.100 -0.015 0.000 1.179 96 Y CB -0.013 38.439 38.460 -0.014 0.000 0.998 96 Y HN 0.001 nan 8.280 nan 0.000 0.532 97 R N 0.489 121.076 120.500 0.144 0.000 2.081 97 R HA -0.159 4.201 4.340 0.032 0.000 0.235 97 R C 2.420 178.756 176.300 0.060 0.000 1.131 97 R CA 1.486 57.639 56.100 0.088 0.000 0.960 97 R CB -0.691 29.644 30.300 0.059 0.000 0.856 97 R HN 0.239 nan 8.270 nan 0.000 0.436 98 S N 0.384 116.104 115.700 0.034 0.000 2.370 98 S HA -0.154 4.336 4.470 0.032 0.000 0.226 98 S C 2.112 176.754 174.600 0.069 0.000 1.033 98 S CA 1.649 59.857 58.200 0.014 0.000 1.011 98 S CB -0.084 63.105 63.200 -0.019 0.000 0.852 98 S HN 0.352 nan 8.310 nan 0.000 0.457 99 M N 0.366 120.023 119.600 0.096 0.000 2.117 99 M HA -0.098 4.402 4.480 0.032 0.000 0.262 99 M C 2.440 178.850 176.300 0.183 0.000 1.065 99 M CA 1.743 57.138 55.300 0.159 0.000 1.114 99 M CB -0.364 32.245 32.600 0.015 0.000 1.361 99 M HN 0.438 nan 8.290 nan 0.000 0.408 100 M N -0.360 119.295 119.600 0.091 0.000 2.132 100 M HA -0.168 4.331 4.480 0.032 0.000 0.263 100 M C 2.095 178.482 176.300 0.146 0.000 1.065 100 M CA 1.665 57.030 55.300 0.109 0.000 1.122 100 M CB -0.091 32.558 32.600 0.082 0.000 1.365 100 M HN 0.161 nan 8.290 nan 0.000 0.411 101 S N 0.313 116.091 115.700 0.130 0.000 2.374 101 S HA -0.150 4.339 4.470 0.032 0.000 0.227 101 S C 1.833 176.485 174.600 0.087 0.000 1.037 101 S CA 1.598 59.875 58.200 0.129 0.000 1.024 101 S CB -0.526 62.707 63.200 0.056 0.000 0.861 101 S HN 0.418 nan 8.310 nan 0.000 0.456 102 V N 1.856 121.823 119.914 0.089 0.000 2.261 102 V HA -0.179 3.960 4.120 0.032 0.000 0.246 102 V C 2.705 178.856 176.094 0.095 0.000 1.047 102 V CA 1.556 63.905 62.300 0.081 0.000 1.015 102 V CB -0.678 31.222 31.823 0.129 0.000 0.642 102 V HN 0.393 nan 8.190 nan 0.000 0.446 103 Q N 0.099 119.991 119.800 0.153 0.000 2.062 103 Q HA -0.198 4.162 4.340 0.032 0.000 0.209 103 Q C 2.501 178.536 176.000 0.059 0.000 0.996 103 Q CA 2.501 58.382 55.803 0.129 0.000 0.859 103 Q CB -0.646 28.220 28.738 0.213 0.000 0.920 103 Q HN 0.676 nan 8.270 nan 0.000 0.415 104 S N 0.166 115.885 115.700 0.031 0.000 2.335 104 S HA -0.025 4.464 4.470 0.032 0.000 0.217 104 S C 2.185 176.734 174.600 -0.084 0.000 1.032 104 S CA 1.211 59.361 58.200 -0.083 0.000 0.985 104 S CB -0.144 62.943 63.200 -0.189 0.000 0.896 104 S HN 0.246 nan 8.310 nan 0.000 0.445 105 S N 1.050 116.742 115.700 -0.013 0.000 2.439 105 S HA 0.281 4.770 4.470 0.032 0.000 0.224 105 S C 1.544 176.125 174.600 -0.033 0.000 1.029 105 S CA 0.436 58.641 58.200 0.008 0.000 0.946 105 S CB -0.090 63.173 63.200 0.106 0.000 0.797 105 S HN 0.293 nan 8.310 nan 0.000 0.504 106 L N 0.525 121.700 121.223 -0.080 0.000 2.585 106 L HA 0.247 4.607 4.340 0.032 0.000 0.226 106 L C 1.131 178.097 176.870 0.160 0.000 1.113 106 L CA 0.155 54.876 54.840 -0.198 0.000 0.876 106 L CB 0.187 41.932 42.059 -0.524 0.000 1.072 106 L HN 0.172 nan 8.230 nan 0.000 0.468 107 V N -1.748 118.241 119.914 0.124 0.000 3.102 107 V HA 0.049 4.189 4.120 0.032 0.000 0.225 107 V C 1.938 178.089 176.094 0.095 0.000 1.301 107 V CA 0.332 62.715 62.300 0.139 0.000 1.308 107 V CB 0.341 32.216 31.823 0.086 0.000 1.129 107 V HN 0.146 nan 8.190 nan 0.000 0.502 108 M N 0.042 119.677 119.600 0.058 0.000 2.200 108 M HA -0.094 4.405 4.480 0.032 0.000 0.265 108 M C 2.146 178.479 176.300 0.055 0.000 1.066 108 M CA 1.479 56.804 55.300 0.041 0.000 1.127 108 M CB -0.278 32.316 32.600 -0.011 0.000 1.379 108 M HN 0.234 nan 8.290 nan 0.000 0.420 109 V N 1.132 121.070 119.914 0.039 0.000 2.270 109 V HA -0.156 3.983 4.120 0.032 0.000 0.245 109 V C -0.598 175.530 176.094 0.056 0.000 1.043 109 V CA 1.980 64.312 62.300 0.054 0.000 1.014 109 V CB -1.951 29.889 31.823 0.028 0.000 0.645 109 V HN 0.268 nan 8.190 nan 0.000 0.447 110 P HA -0.161 nan 4.420 nan 0.000 0.215 110 P C 1.816 179.202 177.300 0.142 0.000 1.153 110 P CA 1.741 64.989 63.100 0.246 0.000 0.853 110 P CB -0.001 31.999 31.700 0.501 0.000 0.788 111 I N -1.629 119.002 120.570 0.101 0.000 2.163 111 I HA -0.219 3.970 4.170 0.032 0.000 0.240 111 I C 2.531 178.662 176.117 0.023 0.000 1.081 111 I CA 1.227 62.562 61.300 0.058 0.000 1.353 111 I CB -0.726 37.303 38.000 0.049 0.000 1.054 111 I HN -0.176 nan 8.210 nan 0.000 0.407 112 F N 2.017 121.897 119.950 -0.117 0.000 2.095 112 F HA -0.288 4.263 4.527 0.041 0.000 0.298 112 F C 2.402 178.099 175.800 -0.171 0.000 1.104 112 F CA 2.170 60.066 58.000 -0.173 0.000 1.232 112 F CB -0.185 38.729 39.000 -0.144 0.000 0.987 112 F HN -0.014 nan 8.300 nan 0.000 0.475 113 E N -0.961 119.047 120.200 -0.320 0.000 2.112 113 E HA -0.058 4.311 4.350 0.032 0.000 0.190 113 E C 1.381 177.678 176.600 -0.505 0.000 0.979 113 E CA 1.354 57.393 56.400 -0.601 0.000 0.814 113 E CB -0.174 29.055 29.700 -0.784 0.000 0.762 113 E HN 0.414 nan 8.360 nan 0.000 0.460 114 F N -1.313 118.640 119.950 0.006 0.000 2.706 114 F HA 0.418 4.962 4.527 0.027 0.000 0.313 114 F C 1.030 176.884 175.800 0.089 0.000 1.096 114 F CA 0.033 58.075 58.000 0.071 0.000 1.219 114 F CB 0.168 39.239 39.000 0.119 0.000 1.051 114 F HN -0.081 nan 8.300 nan 0.000 0.568 115 G N 0.274 109.169 108.800 0.158 0.000 2.528 115 G HA2 0.412 4.391 3.960 0.032 0.000 0.289 115 G HA3 0.412 4.391 3.960 0.032 0.000 0.289 115 G C -0.017 174.969 174.900 0.144 0.000 1.192 115 G CA -0.261 44.907 45.100 0.113 0.000 0.921 115 G HN 0.177 nan 8.290 nan 0.000 0.512 116 S N -0.331 115.439 115.700 0.117 0.000 2.614 116 S HA 0.131 4.621 4.470 0.032 0.000 0.265 116 S C 0.756 175.396 174.600 0.067 0.000 1.303 116 S CA -0.054 58.222 58.200 0.127 0.000 1.000 116 S CB 1.224 64.476 63.200 0.088 0.000 0.935 116 S HN 0.474 nan 8.310 nan 0.000 0.551 117 D N 1.736 122.180 120.400 0.073 0.000 2.126 117 D HA -0.134 4.526 4.640 0.032 0.000 0.190 117 D C 2.275 178.616 176.300 0.067 0.000 1.001 117 D CA 2.117 56.158 54.000 0.069 0.000 0.841 117 D CB -1.054 39.801 40.800 0.092 0.000 0.949 117 D HN 0.735 nan 8.370 nan 0.000 0.446 118 A N 0.679 123.540 122.820 0.069 0.000 1.892 118 A HA -0.295 4.044 4.320 0.032 0.000 0.218 118 A C 2.159 179.781 177.584 0.064 0.000 1.188 118 A CA 2.040 54.113 52.037 0.060 0.000 0.631 118 A CB -0.775 18.259 19.000 0.058 0.000 0.822 118 A HN 0.291 nan 8.150 nan 0.000 0.447 119 Q N -0.518 119.345 119.800 0.105 0.000 2.084 119 Q HA -0.162 4.198 4.340 0.032 0.000 0.202 119 Q C 2.155 178.269 176.000 0.190 0.000 0.978 119 Q CA 1.710 57.646 55.803 0.221 0.000 0.844 119 Q CB -0.184 28.673 28.738 0.199 0.000 0.898 119 Q HN 0.659 nan 8.270 nan 0.000 0.426 120 K N 0.813 121.226 120.400 0.022 0.000 2.026 120 K HA -0.193 4.146 4.320 0.032 0.000 0.208 120 K C 2.086 178.635 176.600 -0.084 0.000 1.048 120 K CA 1.640 57.831 56.287 -0.161 0.000 0.929 120 K CB -0.115 32.058 32.500 -0.544 0.000 0.713 120 K HN 0.389 nan 8.250 nan 0.000 0.439 121 E N 1.327 121.550 120.200 0.038 0.000 2.152 121 E HA -0.196 4.174 4.350 0.032 0.000 0.192 121 E C 1.997 178.617 176.600 0.033 0.000 0.983 121 E CA 0.957 57.440 56.400 0.138 0.000 0.818 121 E CB -0.061 29.740 29.700 0.168 0.000 0.758 121 E HN 0.179 nan 8.360 nan 0.000 0.467 122 K N -0.023 120.352 120.400 -0.042 0.000 2.057 122 K HA -0.135 4.205 4.320 0.032 0.000 0.206 122 K C 1.423 177.908 176.600 -0.191 0.000 1.050 122 K CA 1.390 57.555 56.287 -0.203 0.000 0.935 122 K CB -0.021 32.217 32.500 -0.437 0.000 0.715 122 K HN 0.159 nan 8.250 nan 0.000 0.439 123 Y N 0.202 120.603 120.300 0.168 0.000 2.464 123 Y HA 0.105 4.673 4.550 0.030 0.000 0.288 123 Y C 1.915 177.903 175.900 0.147 0.000 1.133 123 Y CA 0.176 58.426 58.100 0.250 0.000 1.223 123 Y CB -0.050 38.528 38.460 0.197 0.000 1.187 123 Y HN -0.097 nan 8.280 nan 0.000 0.539 124 L N 0.266 121.618 121.223 0.215 0.000 2.012 124 L HA -0.154 4.205 4.340 0.032 0.000 0.210 124 L C -0.550 176.372 176.870 0.086 0.000 1.073 124 L CA 1.394 56.314 54.840 0.134 0.000 0.748 124 L CB -1.788 40.323 42.059 0.088 0.000 0.891 124 L HN 0.159 nan 8.230 nan 0.000 0.431 125 P HA -0.182 nan 4.420 nan 0.000 0.215 125 P C 1.304 178.557 177.300 -0.078 0.000 1.153 125 P CA 1.472 64.565 63.100 -0.012 0.000 0.853 125 P CB 0.003 31.680 31.700 -0.040 0.000 0.788 126 K N -0.999 119.310 120.400 -0.152 0.000 2.296 126 K HA 0.045 4.384 4.320 0.032 0.000 0.200 126 K C 1.990 178.570 176.600 -0.034 0.000 1.048 126 K CA 0.749 56.873 56.287 -0.271 0.000 0.966 126 K CB -0.410 31.582 32.500 -0.846 0.000 0.754 126 K HN 0.189 nan 8.250 nan 0.000 0.466 127 L N 0.368 121.647 121.223 0.093 0.000 2.109 127 L HA -0.079 4.281 4.340 0.032 0.000 0.207 127 L C 2.536 179.443 176.870 0.062 0.000 1.086 127 L CA 0.776 55.689 54.840 0.121 0.000 0.760 127 L CB -0.466 41.679 42.059 0.144 0.000 0.910 127 L HN 0.138 nan 8.230 nan 0.000 0.437 128 A N 0.277 123.112 122.820 0.025 0.000 1.902 128 A HA -0.216 4.124 4.320 0.032 0.000 0.217 128 A C 2.415 179.991 177.584 -0.014 0.000 1.181 128 A CA 2.284 54.318 52.037 -0.006 0.000 0.623 128 A CB -0.912 18.075 19.000 -0.022 0.000 0.818 128 A HN 0.505 nan 8.150 nan 0.000 0.443 129 T N -4.516 110.024 114.554 -0.024 0.000 3.043 129 T HA 0.352 4.721 4.350 0.032 0.000 0.263 129 T C 1.514 176.219 174.700 0.009 0.000 1.094 129 T CA 1.242 63.324 62.100 -0.030 0.000 1.127 129 T CB -0.108 68.723 68.868 -0.061 0.000 0.905 129 T HN 1.754 nan 8.240 nan 0.000 0.490 130 G N 1.268 110.097 108.800 0.047 0.000 2.157 130 G HA2 -0.311 3.668 3.960 0.032 0.000 0.248 130 G HA3 -0.311 3.668 3.960 0.032 0.000 0.248 130 G C 0.541 175.499 174.900 0.098 0.000 0.979 130 G CA 0.666 45.838 45.100 0.121 0.000 0.650 130 G HN 0.658 nan 8.290 nan 0.000 0.529 131 E N -1.206 119.012 120.200 0.030 0.000 2.072 131 E HA -0.045 4.324 4.350 0.032 0.000 0.191 131 E C 0.480 177.184 176.600 0.173 0.000 0.985 131 E CA 0.655 57.063 56.400 0.013 0.000 0.801 131 E CB 0.058 29.665 29.700 -0.154 0.000 0.750 131 E HN 0.457 nan 8.360 nan 0.000 0.452 132 W N 0.905 122.199 121.300 -0.011 0.000 2.433 132 W HA 0.461 5.140 4.660 0.030 0.000 0.315 132 W C -0.389 176.052 176.519 -0.131 0.000 1.087 132 W CA -1.186 56.136 57.345 -0.040 0.000 1.205 132 W CB 0.526 29.998 29.460 0.020 0.000 1.288 132 W HN -0.034 nan 8.180 nan 0.000 0.504 133 I N 3.082 123.624 120.570 -0.047 0.000 2.359 133 I HA 0.517 4.707 4.170 0.032 0.000 0.294 133 I C 0.924 176.853 176.117 -0.314 0.000 0.987 133 I CA -0.490 60.572 61.300 -0.396 0.000 1.225 133 I CB 1.116 38.720 38.000 -0.661 0.000 1.366 133 I HN 0.402 nan 8.210 nan 0.000 0.466 134 G N 4.495 113.132 108.800 -0.272 0.000 2.441 134 G HA2 0.631 4.611 3.960 0.032 0.000 0.334 134 G HA3 0.631 4.611 3.960 0.032 0.000 0.334 134 G C -0.741 174.036 174.900 -0.205 0.000 1.161 134 G CA -0.467 44.507 45.100 -0.210 0.000 0.935 134 G HN 0.871 nan 8.290 nan 0.000 0.488 135 C N -0.853 118.308 119.300 -0.232 0.000 3.213 135 C HA 0.894 5.374 4.460 0.032 0.000 0.319 135 C C -1.056 174.006 174.990 0.121 0.000 1.386 135 C CA -1.534 57.445 59.018 -0.065 0.000 1.494 135 C CB 1.057 28.697 27.740 -0.166 0.000 1.905 135 C HN 0.734 nan 8.230 nan 0.000 0.456 136 F N 1.053 121.045 119.950 0.071 0.000 2.612 136 F HA 0.633 5.178 4.527 0.031 0.000 0.332 136 F C 0.169 176.115 175.800 0.245 0.000 1.167 136 F CA -0.127 57.987 58.000 0.189 0.000 0.970 136 F CB 1.200 40.335 39.000 0.225 0.000 1.234 136 F HN 1.081 nan 8.300 nan 0.000 0.453 137 G N 6.468 115.239 108.800 -0.048 0.000 2.741 137 G HA2 0.420 4.400 3.960 0.032 0.000 0.336 137 G HA3 0.420 4.400 3.960 0.032 0.000 0.336 137 G C -0.400 174.492 174.900 -0.014 0.000 1.022 137 G CA -0.236 44.879 45.100 0.024 0.000 1.193 137 G HN 0.709 nan 8.290 nan 0.000 0.455 138 L N 2.540 123.739 121.223 -0.039 0.000 2.590 138 L HA 0.365 4.724 4.340 0.032 0.000 0.181 138 L C 1.655 178.566 176.870 0.067 0.000 1.134 138 L CA 0.993 55.822 54.840 -0.018 0.000 0.850 138 L CB -0.120 41.891 42.059 -0.081 0.000 1.172 138 L HN 0.368 nan 8.230 nan 0.000 0.498 139 T N -0.026 114.598 114.554 0.117 0.000 2.918 139 T HA 0.347 4.716 4.350 0.032 0.000 0.302 139 T C -0.150 174.613 174.700 0.104 0.000 1.045 139 T CA -0.471 61.695 62.100 0.111 0.000 1.114 139 T CB 0.734 69.684 68.868 0.137 0.000 0.965 139 T HN 0.301 nan 8.240 nan 0.000 0.540 140 E N 1.953 122.202 120.200 0.083 0.000 2.277 140 E HA 0.487 4.856 4.350 0.032 0.000 0.266 140 E C -2.027 174.613 176.600 0.066 0.000 0.901 140 E CA -2.066 54.372 56.400 0.064 0.000 0.782 140 E CB 1.306 31.034 29.700 0.046 0.000 1.228 140 E HN 0.595 nan 8.360 nan 0.000 0.424 151 V N 0.894 120.825 119.914 0.028 0.000 2.667 151 V HA -0.044 4.095 4.120 0.032 0.000 0.252 151 V C 1.045 177.151 176.094 0.019 0.000 1.065 151 V CA 1.791 64.104 62.300 0.021 0.000 1.083 151 V CB -0.438 31.393 31.823 0.015 0.000 0.692 151 V HN 0.853 nan 8.190 nan 0.000 0.468 152 T N 2.675 117.244 114.554 0.026 0.000 2.793 152 T HA 0.234 4.603 4.350 0.032 0.000 0.289 152 T C 0.099 174.811 174.700 0.020 0.000 0.956 152 T CA 0.251 62.360 62.100 0.016 0.000 1.177 152 T CB 0.187 69.070 68.868 0.026 0.000 0.897 152 T HN 0.353 nan 8.240 nan 0.000 0.533 153 R N 2.410 122.905 120.500 -0.008 0.000 2.494 153 R HA 0.653 5.013 4.340 0.032 0.000 0.305 153 R C -1.065 175.201 176.300 -0.057 0.000 0.959 153 R CA -0.560 55.540 56.100 -0.001 0.000 0.864 153 R CB 1.035 31.339 30.300 0.007 0.000 1.159 153 R HN 0.618 nan 8.270 nan 0.000 0.446 154 A N 2.833 125.620 122.820 -0.056 0.000 2.288 154 A HA 0.781 5.120 4.320 0.032 0.000 0.320 154 A C -0.489 177.133 177.584 0.064 0.000 1.217 154 A CA -0.446 51.511 52.037 -0.134 0.000 0.840 154 A CB 0.762 19.482 19.000 -0.466 0.000 1.179 154 A HN 0.919 nan 8.150 nan 0.000 0.504 155 R N 1.427 121.968 120.500 0.069 0.000 2.445 155 R HA 0.744 5.103 4.340 0.032 0.000 0.308 155 R C 0.147 176.512 176.300 0.108 0.000 0.961 155 R CA -0.122 56.033 56.100 0.092 0.000 0.862 155 R CB -0.090 30.232 30.300 0.036 0.000 1.144 155 R HN 1.594 nan 8.270 nan 0.000 0.447 156 K N 1.457 121.907 120.400 0.083 0.000 2.412 156 K HA 0.533 4.872 4.320 0.032 0.000 0.284 156 K C 0.514 177.063 176.600 -0.086 0.000 1.046 156 K CA 0.359 56.594 56.287 -0.086 0.000 0.999 156 K CB -0.171 32.284 32.500 -0.074 0.000 0.941 156 K HN 1.684 nan 8.250 nan 0.000 0.474 157 V N -0.427 119.416 119.914 -0.119 0.000 3.158 157 V HA 0.808 4.947 4.120 0.032 0.000 0.315 157 V C -2.733 173.305 176.094 -0.092 0.000 1.148 157 V CA -2.761 59.493 62.300 -0.076 0.000 1.042 157 V CB 1.435 33.231 31.823 -0.046 0.000 1.101 157 V HN 0.626 nan 8.190 nan 0.000 0.448 158 P HA 0.380 nan 4.420 nan 0.000 0.267 158 P C 0.961 178.230 177.300 -0.050 0.000 1.200 158 P CA 1.738 64.794 63.100 -0.073 0.000 0.772 158 P CB 0.674 32.324 31.700 -0.082 0.000 0.855 159 G N 0.736 109.540 108.800 0.008 0.000 2.417 159 G HA2 -0.102 3.878 3.960 0.032 0.000 0.233 159 G HA3 -0.102 3.878 3.960 0.032 0.000 0.233 159 G C 0.578 175.650 174.900 0.287 0.000 1.103 159 G CA 0.538 45.731 45.100 0.154 0.000 0.647 159 G HN 1.023 nan 8.290 nan 0.000 0.512 160 G N -1.440 107.486 108.800 0.211 0.000 2.483 160 G HA2 0.506 4.485 3.960 0.032 0.000 0.090 160 G HA3 0.506 4.485 3.960 0.032 0.000 0.090 160 G C -1.054 173.619 174.900 -0.378 0.000 0.984 160 G CA 0.281 45.369 45.100 -0.020 0.000 1.325 160 G HN 1.018 nan 8.290 nan 0.000 0.561 161 Y N 0.267 120.651 120.300 0.140 0.000 2.504 161 Y HA 0.747 5.314 4.550 0.029 0.000 0.344 161 Y C 0.061 175.979 175.900 0.029 0.000 1.023 161 Y CA -0.614 57.505 58.100 0.031 0.000 1.020 161 Y CB 2.554 40.957 38.460 -0.096 0.000 1.282 161 Y HN 0.443 nan 8.280 nan 0.000 0.454 162 S N 2.711 118.491 115.700 0.134 0.000 2.480 162 S HA 0.729 5.218 4.470 0.032 0.000 0.286 162 S C -1.263 173.300 174.600 -0.063 0.000 1.180 162 S CA -0.380 57.853 58.200 0.056 0.000 1.075 162 S CB 0.195 63.419 63.200 0.040 0.000 0.996 162 S HN 0.477 nan 8.310 nan 0.000 0.487 163 L N 3.739 124.889 121.223 -0.122 0.000 2.346 163 L HA 0.630 4.989 4.340 0.032 0.000 0.276 163 L C -0.261 176.537 176.870 -0.119 0.000 1.006 163 L CA 0.073 54.796 54.840 -0.194 0.000 0.817 163 L CB 2.079 43.951 42.059 -0.313 0.000 1.272 163 L HN 0.603 nan 8.230 nan 0.000 0.421 164 S N 0.834 116.476 115.700 -0.097 0.000 2.548 164 S HA 0.961 5.451 4.470 0.032 0.000 0.276 164 S C -0.281 174.288 174.600 -0.052 0.000 1.129 164 S CA -0.210 57.951 58.200 -0.065 0.000 0.931 164 S CB 2.048 65.222 63.200 -0.044 0.000 1.068 164 S HN 1.043 nan 8.310 nan 0.000 0.480 165 G N 1.176 109.950 108.800 -0.044 0.000 2.352 165 G HA2 0.441 4.420 3.960 0.032 0.000 0.283 165 G HA3 0.441 4.420 3.960 0.032 0.000 0.283 165 G C -1.668 173.216 174.900 -0.027 0.000 1.308 165 G CA -0.580 44.504 45.100 -0.027 0.000 0.892 165 G HN 0.764 nan 8.290 nan 0.000 0.504 166 S N -0.106 115.586 115.700 -0.012 0.000 2.546 166 S HA 0.696 5.186 4.470 0.032 0.000 0.272 166 S C -0.947 173.659 174.600 0.009 0.000 1.140 166 S CA -0.837 57.356 58.200 -0.011 0.000 0.920 166 S CB 1.932 65.121 63.200 -0.018 0.000 1.083 166 S HN 0.638 nan 8.310 nan 0.000 0.476 167 K N 1.629 122.041 120.400 0.020 0.000 2.208 167 K HA 0.682 5.022 4.320 0.032 0.000 0.247 167 K C -0.678 175.941 176.600 0.032 0.000 0.953 167 K CA -0.835 55.481 56.287 0.049 0.000 0.837 167 K CB 1.694 34.242 32.500 0.080 0.000 1.131 167 K HN 0.575 nan 8.250 nan 0.000 0.431 168 M N 0.397 120.029 119.600 0.054 0.000 2.518 168 M HA 0.318 4.817 4.480 0.032 0.000 0.300 168 M C -1.456 174.926 176.300 0.138 0.000 1.175 168 M CA -0.119 55.163 55.300 -0.029 0.000 0.890 168 M CB 1.095 33.648 32.600 -0.079 0.000 1.710 168 M HN 0.622 nan 8.290 nan 0.000 0.453 169 W N 4.261 125.612 121.300 0.084 0.000 5.721 169 W HA -0.163 4.516 4.660 0.032 0.000 0.406 169 W C -0.870 175.749 176.519 0.166 0.000 1.576 169 W CA -0.267 57.147 57.345 0.116 0.000 0.977 169 W CB -1.550 27.983 29.460 0.121 0.000 2.771 169 W HN 0.364 nan 8.180 nan 0.000 1.435 170 I N 1.083 121.823 120.570 0.284 0.000 2.306 170 I HA 0.137 4.327 4.170 0.032 0.000 0.288 170 I C 1.166 177.409 176.117 0.210 0.000 1.036 170 I CA -0.590 60.865 61.300 0.258 0.000 1.221 170 I CB 0.014 38.131 38.000 0.195 0.000 1.385 170 I HN -0.147 nan 8.210 nan 0.000 0.472 171 T N 7.284 121.976 114.554 0.231 0.000 2.902 171 T HA 0.071 4.440 4.350 0.032 0.000 0.301 171 T C 0.972 175.751 174.700 0.132 0.000 1.012 171 T CA 0.375 62.580 62.100 0.175 0.000 1.151 171 T CB 0.171 69.132 68.868 0.156 0.000 0.946 171 T HN 0.626 nan 8.240 nan 0.000 0.542 172 N N 0.245 119.015 118.700 0.117 0.000 2.967 172 N HA -0.230 4.530 4.740 0.032 0.000 0.212 172 N C 1.556 177.048 175.510 -0.031 0.000 0.884 172 N CA 1.619 54.707 53.050 0.063 0.000 1.030 172 N CB -1.740 36.756 38.487 0.016 0.000 1.018 172 N HN 0.723 nan 8.380 nan 0.000 0.596 173 S N 0.018 115.715 115.700 -0.006 0.000 2.382 173 S HA 0.003 4.492 4.470 0.032 0.000 0.228 173 S C -0.884 173.739 174.600 0.037 0.000 1.027 173 S CA 1.399 59.581 58.200 -0.030 0.000 0.991 173 S CB -0.883 62.378 63.200 0.101 0.000 0.823 173 S HN 0.245 nan 8.310 nan 0.000 0.469 174 P HA 0.109 nan 4.420 nan 0.000 0.230 174 P C 1.134 178.471 177.300 0.062 0.000 1.158 174 P CA 0.806 63.950 63.100 0.074 0.000 0.769 174 P CB -0.269 31.469 31.700 0.062 0.000 0.807 175 I N -6.729 113.851 120.570 0.017 0.000 4.050 175 I HA 0.496 4.686 4.170 0.032 0.000 0.327 175 I C 0.334 176.389 176.117 -0.104 0.000 1.473 175 I CA -0.817 60.481 61.300 -0.003 0.000 1.124 175 I CB 0.248 38.271 38.000 0.038 0.000 1.129 175 I HN -0.309 nan 8.210 nan 0.000 0.428 176 A N 1.226 123.930 122.820 -0.193 0.000 2.354 176 A HA 0.327 4.666 4.320 0.032 0.000 0.269 176 A C 0.445 177.869 177.584 -0.267 0.000 1.109 176 A CA -0.219 51.580 52.037 -0.397 0.000 0.800 176 A CB 0.346 18.841 19.000 -0.842 0.000 1.045 176 A HN 0.399 nan 8.150 nan 0.000 0.489 177 D N 0.602 120.847 120.400 -0.259 0.000 2.323 177 D HA 0.087 4.747 4.640 0.032 0.000 0.218 177 D C -0.031 176.134 176.300 -0.226 0.000 0.973 177 D CA 1.122 54.985 54.000 -0.229 0.000 0.890 177 D CB 0.358 40.938 40.800 -0.367 0.000 1.011 177 D HN 0.266 nan 8.370 nan 0.000 0.499 178 V N 1.563 121.311 119.914 -0.276 0.000 2.448 178 V HA 0.320 4.460 4.120 0.032 0.000 0.295 178 V C -0.777 175.147 176.094 -0.282 0.000 1.025 178 V CA -0.647 61.532 62.300 -0.201 0.000 0.859 178 V CB 1.509 33.230 31.823 -0.170 0.000 0.988 178 V HN -0.096 nan 8.190 nan 0.000 0.431 179 F N 3.265 123.104 119.950 -0.184 0.000 2.402 179 F HA 0.530 5.075 4.527 0.031 0.000 0.355 179 F C 0.078 175.773 175.800 -0.176 0.000 1.123 179 F CA -0.870 57.050 58.000 -0.134 0.000 1.021 179 F CB 1.963 40.890 39.000 -0.123 0.000 1.160 179 F HN 0.183 nan 8.300 nan 0.000 0.451 180 V N 5.373 125.273 119.914 -0.024 0.000 2.334 180 V HA 0.320 4.459 4.120 0.032 0.000 0.267 180 V C -0.247 175.699 176.094 -0.246 0.000 1.040 180 V CA -0.572 61.631 62.300 -0.162 0.000 0.866 180 V CB 0.962 32.736 31.823 -0.082 0.000 1.019 180 V HN 0.470 nan 8.190 nan 0.000 0.468 181 V N 4.617 124.361 119.914 -0.283 0.000 2.459 181 V HA 0.465 4.605 4.120 0.032 0.000 0.295 181 V C -0.798 175.127 176.094 -0.282 0.000 1.029 181 V CA -0.779 61.406 62.300 -0.192 0.000 0.874 181 V CB 1.845 33.641 31.823 -0.044 0.000 0.985 181 V HN 0.883 nan 8.190 nan 0.000 0.438 182 W N 3.734 125.005 121.300 -0.048 0.000 2.349 182 W HA 0.760 5.437 4.660 0.029 0.000 0.309 182 W C 0.211 176.763 176.519 0.055 0.000 1.083 182 W CA -0.117 57.219 57.345 -0.016 0.000 1.224 182 W CB 1.442 30.836 29.460 -0.109 0.000 1.256 182 W HN 0.691 nan 8.180 nan 0.000 0.461 183 A N 2.941 125.977 122.820 0.360 0.000 2.485 183 A HA 0.789 5.128 4.320 0.032 0.000 0.292 183 A C -1.023 176.721 177.584 0.266 0.000 1.147 183 A CA -1.198 51.004 52.037 0.275 0.000 0.750 183 A CB 1.495 20.613 19.000 0.197 0.000 1.331 183 A HN 0.540 nan 8.150 nan 0.000 0.419 184 K N 0.027 120.528 120.400 0.169 0.000 2.156 184 K HA 0.585 4.924 4.320 0.032 0.000 0.271 184 K C -1.577 175.106 176.600 0.138 0.000 0.995 184 K CA -0.387 55.977 56.287 0.129 0.000 0.890 184 K CB 1.597 34.146 32.500 0.081 0.000 1.073 184 K HN 0.465 nan 8.250 nan 0.000 0.454 185 L N 2.176 123.476 121.223 0.128 0.000 2.408 185 L HA 0.381 4.741 4.340 0.032 0.000 0.268 185 L C -1.273 175.654 176.870 0.096 0.000 0.986 185 L CA -0.473 54.451 54.840 0.140 0.000 0.820 185 L CB 1.876 44.044 42.059 0.180 0.000 1.303 185 L HN 0.493 nan 8.230 nan 0.000 0.411 186 D N 3.325 123.781 120.400 0.094 0.000 2.177 186 D HA 0.721 5.380 4.640 0.032 0.000 0.247 186 D C -0.937 175.406 176.300 0.072 0.000 1.063 186 D CA 0.958 54.998 54.000 0.068 0.000 0.867 186 D CB 1.666 42.498 40.800 0.054 0.000 1.168 186 D HN 0.823 nan 8.370 nan 0.000 0.445 187 E N 0.654 120.886 120.200 0.053 0.000 3.127 187 E HA 0.532 4.901 4.350 0.032 0.000 0.338 187 E C 0.013 176.632 176.600 0.033 0.000 1.049 187 E CA -0.122 56.307 56.400 0.048 0.000 0.864 187 E CB -0.858 28.881 29.700 0.065 0.000 1.247 187 E HN 0.910 nan 8.360 nan 0.000 0.452 191 D N 1.828 122.242 120.400 0.023 0.000 2.349 191 D HA 0.373 5.032 4.640 0.032 0.000 0.266 191 D C -0.337 175.979 176.300 0.027 0.000 1.293 191 D CA 0.697 54.715 54.000 0.030 0.000 0.926 191 D CB 0.444 41.261 40.800 0.028 0.000 1.090 191 D HN 0.455 nan 8.370 nan 0.000 0.502 192 E N 2.509 122.728 120.200 0.032 0.000 2.343 192 E HA 0.419 4.788 4.350 0.032 0.000 0.270 192 E C -0.491 176.129 176.600 0.034 0.000 0.895 192 E CA -0.934 55.479 56.400 0.021 0.000 0.767 192 E CB 1.343 31.046 29.700 0.005 0.000 1.248 192 E HN 0.384 nan 8.360 nan 0.000 0.440 193 I N 3.861 124.450 120.570 0.031 0.000 2.505 193 I HA 0.155 4.344 4.170 0.032 0.000 0.287 193 I C 0.163 176.317 176.117 0.061 0.000 1.104 193 I CA -0.033 61.309 61.300 0.070 0.000 1.387 193 I CB 0.016 38.050 38.000 0.057 0.000 1.404 193 I HN 0.196 nan 8.210 nan 0.000 0.528 194 R N 4.661 125.180 120.500 0.032 0.000 2.787 194 R HA 0.623 4.983 4.340 0.032 0.000 0.271 194 R C -0.117 176.001 176.300 -0.303 0.000 0.993 194 R CA -1.012 54.965 56.100 -0.205 0.000 0.993 194 R CB 1.582 31.573 30.300 -0.514 0.000 1.155 194 R HN 0.692 nan 8.270 nan 0.000 0.486 195 G N 1.186 109.617 108.800 -0.615 0.000 2.343 195 G HA2 0.602 4.582 3.960 0.032 0.000 0.319 195 G HA3 0.602 4.582 3.960 0.032 0.000 0.319 195 G C -1.076 173.184 174.900 -1.066 0.000 1.126 195 G CA -0.257 44.230 45.100 -1.021 0.000 0.889 195 G HN 0.244 nan 8.290 nan 0.000 0.457 196 F N 0.772 120.405 119.950 -0.529 0.000 2.522 196 F HA 0.565 5.113 4.527 0.036 0.000 0.324 196 F C 0.347 175.923 175.800 -0.373 0.000 1.077 196 F CA -0.939 56.825 58.000 -0.393 0.000 0.944 196 F CB 2.361 41.163 39.000 -0.329 0.000 1.175 196 F HN 0.182 nan 8.300 nan 0.000 0.468 197 I N 4.083 124.576 120.570 -0.127 0.000 2.355 197 I HA 0.371 4.560 4.170 0.032 0.000 0.288 197 I C -0.991 175.043 176.117 -0.139 0.000 0.999 197 I CA -0.527 60.649 61.300 -0.206 0.000 1.163 197 I CB 1.104 38.893 38.000 -0.351 0.000 1.316 197 I HN 0.311 nan 8.210 nan 0.000 0.454 198 L N 6.301 127.462 121.223 -0.104 0.000 2.331 198 L HA 0.575 4.934 4.340 0.032 0.000 0.268 198 L C -0.068 176.779 176.870 -0.037 0.000 1.015 198 L CA -0.449 54.328 54.840 -0.104 0.000 0.807 198 L CB 1.153 43.104 42.059 -0.180 0.000 1.293 198 L HN 0.510 nan 8.230 nan 0.000 0.451 199 E N -0.349 119.811 120.200 -0.066 0.000 2.343 199 E HA 0.346 4.716 4.350 0.032 0.000 0.270 199 E C -1.323 175.245 176.600 -0.054 0.000 0.895 199 E CA -1.166 55.214 56.400 -0.033 0.000 0.767 199 E CB 2.313 31.948 29.700 -0.108 0.000 1.248 199 E HN 0.308 nan 8.360 nan 0.000 0.440 200 K N 0.226 120.650 120.400 0.040 0.000 2.527 200 K HA 0.046 4.385 4.320 0.032 0.000 0.278 200 K C 0.826 177.397 176.600 -0.048 0.000 0.981 200 K CA 1.506 57.817 56.287 0.039 0.000 1.009 200 K CB 0.083 32.635 32.500 0.086 0.000 0.895 200 K HN 0.782 nan 8.250 nan 0.000 0.493 201 G N 2.355 111.120 108.800 -0.059 0.000 2.199 201 G HA2 -0.315 3.664 3.960 0.032 0.000 0.254 201 G HA3 -0.315 3.664 3.960 0.032 0.000 0.254 201 G C 0.300 175.164 174.900 -0.059 0.000 0.982 201 G CA 0.127 45.198 45.100 -0.047 0.000 0.632 201 G HN 0.820 nan 8.290 nan 0.000 0.529 202 C N 2.609 121.851 119.300 -0.096 0.000 2.633 202 C HA 0.470 4.950 4.460 0.032 0.000 0.415 202 C C 1.341 176.282 174.990 -0.080 0.000 1.393 202 C CA -0.504 58.462 59.018 -0.086 0.000 1.700 202 C CB -0.775 26.883 27.740 -0.137 0.000 2.541 202 C HN 0.447 nan 8.230 nan 0.000 0.603 203 K N 4.239 124.618 120.400 -0.035 0.000 2.448 203 K HA 0.351 4.690 4.320 0.032 0.000 0.278 203 K C 1.283 177.856 176.600 -0.045 0.000 1.009 203 K CA 1.102 57.370 56.287 -0.033 0.000 0.995 203 K CB 0.349 32.843 32.500 -0.010 0.000 0.917 203 K HN 1.190 nan 8.250 nan 0.000 0.481 204 G N 1.737 110.502 108.800 -0.057 0.000 2.159 204 G HA2 -0.254 3.725 3.960 0.032 0.000 0.256 204 G HA3 -0.254 3.725 3.960 0.032 0.000 0.256 204 G C -0.439 174.397 174.900 -0.105 0.000 0.977 204 G CA 0.062 45.122 45.100 -0.067 0.000 0.652 204 G HN 0.458 nan 8.290 nan 0.000 0.531 205 L N 2.059 123.197 121.223 -0.142 0.000 2.313 205 L HA 0.831 5.191 4.340 0.032 0.000 0.283 205 L C 0.233 176.993 176.870 -0.184 0.000 1.013 205 L CA -0.031 54.676 54.840 -0.222 0.000 0.816 205 L CB 1.909 43.752 42.059 -0.359 0.000 1.236 205 L HN 0.680 nan 8.230 nan 0.000 0.419 206 S N 3.387 118.997 115.700 -0.152 0.000 2.632 206 S HA 0.954 5.443 4.470 0.032 0.000 0.289 206 S C -0.521 174.047 174.600 -0.052 0.000 1.115 206 S CA -0.221 57.927 58.200 -0.087 0.000 0.889 206 S CB 1.959 65.127 63.200 -0.053 0.000 1.116 206 S HN 1.129 nan 8.310 nan 0.000 0.486 207 A N 1.594 124.422 122.820 0.013 0.000 3.453 207 A HA 0.559 4.898 4.320 0.032 0.000 0.262 207 A C -2.943 174.674 177.584 0.056 0.000 1.026 207 A CA -1.140 50.945 52.037 0.079 0.000 0.938 207 A CB 0.109 19.243 19.000 0.223 0.000 1.246 207 A HN 0.622 nan 8.150 nan 0.000 0.546 208 P HA 0.337 nan 4.420 nan 0.000 0.268 208 P C 0.219 177.518 177.300 -0.001 0.000 1.204 208 P CA 0.423 63.530 63.100 0.012 0.000 0.768 208 P CB 1.177 32.873 31.700 -0.007 0.000 0.842 209 A N 4.393 127.223 122.820 0.016 0.000 2.371 209 A HA 0.425 4.765 4.320 0.032 0.000 0.257 209 A C 0.336 177.875 177.584 -0.076 0.000 1.089 209 A CA -0.598 51.421 52.037 -0.029 0.000 0.794 209 A CB -0.172 18.837 19.000 0.016 0.000 1.029 209 A HN 0.529 nan 8.150 nan 0.000 0.488 210 I N 1.377 121.837 120.570 -0.182 0.000 2.385 210 I HA 0.377 4.567 4.170 0.032 0.000 0.294 210 I C 0.035 175.974 176.117 -0.297 0.000 0.988 210 I CA 0.014 61.202 61.300 -0.188 0.000 1.265 210 I CB 1.087 38.942 38.000 -0.241 0.000 1.388 210 I HN 0.786 nan 8.210 nan 0.000 0.480 211 H N 2.148 121.224 119.070 0.011 0.000 2.907 211 H HA 0.590 5.165 4.556 0.033 0.000 0.361 211 H C 0.388 175.738 175.328 0.037 0.000 1.194 211 H CA -0.083 55.982 56.048 0.028 0.000 1.152 211 H CB 2.056 31.829 29.762 0.018 0.000 1.867 211 H HN 0.723 nan 8.280 nan 0.000 0.561 212 G N 1.367 110.274 108.800 0.179 0.000 2.165 212 G HA2 -0.244 3.736 3.960 0.032 0.000 0.226 212 G HA3 -0.244 3.736 3.960 0.032 0.000 0.226 212 G C -0.362 174.590 174.900 0.087 0.000 1.035 212 G CA -0.264 44.897 45.100 0.101 0.000 0.744 212 G HN 0.437 nan 8.290 nan 0.000 0.501 213 K N -0.551 119.895 120.400 0.076 0.000 2.258 213 K HA 0.461 4.801 4.320 0.032 0.000 0.264 213 K C 1.485 178.085 176.600 0.000 0.000 1.007 213 K CA -0.141 56.192 56.287 0.077 0.000 0.941 213 K CB 1.608 34.157 32.500 0.081 0.000 0.966 213 K HN 0.021 nan 8.250 nan 0.000 0.480 214 V N 0.770 120.695 119.914 0.020 0.000 2.500 214 V HA 0.013 4.153 4.120 0.032 0.000 0.243 214 V C 1.036 177.156 176.094 0.044 0.000 1.039 214 V CA 1.345 63.656 62.300 0.018 0.000 1.053 214 V CB 0.059 31.903 31.823 0.035 0.000 0.695 214 V HN 0.929 nan 8.190 nan 0.000 0.463 215 G N -1.695 107.136 108.800 0.052 0.000 2.600 215 G HA2 0.547 4.526 3.960 0.032 0.000 0.303 215 G HA3 0.547 4.526 3.960 0.032 0.000 0.303 215 G C -0.215 174.740 174.900 0.092 0.000 1.253 215 G CA -0.796 44.380 45.100 0.125 0.000 0.974 215 G HN 0.205 nan 8.290 nan 0.000 0.483 216 L N -0.722 120.599 121.223 0.163 0.000 3.839 216 L HA -0.242 4.117 4.340 0.032 0.000 0.416 216 L C 2.159 179.047 176.870 0.029 0.000 1.195 216 L CA 0.140 55.034 54.840 0.091 0.000 0.946 216 L CB -0.922 41.157 42.059 0.033 0.000 1.891 216 L HN 0.687 nan 8.230 nan 0.000 0.963 217 R N 0.371 120.831 120.500 -0.067 0.000 2.241 217 R HA -0.062 4.298 4.340 0.032 0.000 0.224 217 R C 2.095 178.317 176.300 -0.131 0.000 1.101 217 R CA 1.233 57.174 56.100 -0.264 0.000 0.995 217 R CB -0.119 29.692 30.300 -0.816 0.000 0.870 217 R HN 0.588 nan 8.270 nan 0.000 0.463 218 A N 1.087 123.879 122.820 -0.047 0.000 2.235 218 A HA -0.000 4.339 4.320 0.032 0.000 0.208 218 A C 0.812 178.351 177.584 -0.074 0.000 1.172 218 A CA 0.288 52.263 52.037 -0.103 0.000 0.786 218 A CB 0.037 18.820 19.000 -0.362 0.000 0.804 218 A HN 0.277 nan 8.150 nan 0.000 0.479 219 S N -0.701 114.985 115.700 -0.023 0.000 2.501 219 S HA 0.681 5.170 4.470 0.032 0.000 0.301 219 S C -0.412 174.226 174.600 0.064 0.000 1.096 219 S CA -0.735 57.493 58.200 0.045 0.000 1.063 219 S CB 1.273 64.500 63.200 0.045 0.000 1.042 219 S HN 0.330 nan 8.310 nan 0.000 0.494 220 I N 2.698 123.327 120.570 0.098 0.000 2.396 220 I HA 0.482 4.671 4.170 0.032 0.000 0.292 220 I C -0.640 175.517 176.117 0.066 0.000 0.999 220 I CA 0.210 61.545 61.300 0.058 0.000 1.310 220 I CB 1.288 39.340 38.000 0.087 0.000 1.404 220 I HN 0.838 nan 8.210 nan 0.000 0.496 221 T N 4.840 119.406 114.554 0.020 0.000 2.903 221 T HA 0.813 5.182 4.350 0.032 0.000 0.299 221 T C -0.224 174.476 174.700 -0.000 0.000 1.093 221 T CA -0.578 61.568 62.100 0.076 0.000 1.002 221 T CB 1.868 70.853 68.868 0.194 0.000 1.127 221 T HN 0.891 nan 8.240 nan 0.000 0.488 222 G N 0.481 109.295 108.800 0.023 0.000 2.578 222 G HA2 0.609 4.589 3.960 0.032 0.000 0.302 222 G HA3 0.609 4.589 3.960 0.032 0.000 0.302 222 G C -1.691 173.194 174.900 -0.025 0.000 1.243 222 G CA -0.714 44.365 45.100 -0.035 0.000 0.843 222 G HN 0.627 nan 8.290 nan 0.000 0.486 223 E N -1.063 119.124 120.200 -0.023 0.000 2.254 223 E HA 0.665 5.035 4.350 0.032 0.000 0.258 223 E C -0.864 175.773 176.600 0.061 0.000 1.033 223 E CA -0.668 55.723 56.400 -0.014 0.000 0.893 223 E CB 2.374 32.041 29.700 -0.055 0.000 1.204 223 E HN 0.260 nan 8.360 nan 0.000 0.425 224 I N 1.590 122.191 120.570 0.051 0.000 2.468 224 I HA 0.219 4.408 4.170 0.032 0.000 0.284 224 I C -1.166 174.943 176.117 -0.013 0.000 1.038 224 I CA -0.716 60.615 61.300 0.053 0.000 1.083 224 I CB 1.757 39.823 38.000 0.110 0.000 1.223 224 I HN 0.115 nan 8.210 nan 0.000 0.443 225 V N 7.400 127.286 119.914 -0.047 0.000 2.334 225 V HA 0.409 4.549 4.120 0.032 0.000 0.281 225 V C -0.032 176.010 176.094 -0.087 0.000 1.016 225 V CA -0.453 61.812 62.300 -0.057 0.000 0.832 225 V CB 1.646 33.439 31.823 -0.049 0.000 0.999 225 V HN 0.481 nan 8.190 nan 0.000 0.439 226 L N 4.467 125.639 121.223 -0.085 0.000 2.262 226 L HA 0.524 4.884 4.340 0.032 0.000 0.288 226 L C -0.281 176.543 176.870 -0.076 0.000 1.035 226 L CA -0.207 54.572 54.840 -0.102 0.000 0.820 226 L CB 1.267 43.257 42.059 -0.115 0.000 1.204 226 L HN 0.541 nan 8.230 nan 0.000 0.424 227 D N 5.081 125.439 120.400 -0.070 0.000 2.477 227 D HA 0.135 4.795 4.640 0.032 0.000 0.239 227 D C -0.029 176.243 176.300 -0.047 0.000 1.102 227 D CA -0.316 53.653 54.000 -0.052 0.000 0.901 227 D CB 0.447 41.220 40.800 -0.045 0.000 1.026 227 D HN 0.548 nan 8.370 nan 0.000 0.515 228 E N 0.996 121.169 120.200 -0.044 0.000 2.230 228 E HA -0.205 4.165 4.350 0.032 0.000 0.206 228 E C -0.700 175.889 176.600 -0.018 0.000 1.309 228 E CA 0.446 56.828 56.400 -0.030 0.000 0.697 228 E CB -1.094 28.592 29.700 -0.024 0.000 1.146 228 E HN 0.499 nan 8.360 nan 0.000 0.363 229 A N 1.497 124.291 122.820 -0.044 0.000 2.362 229 A HA 0.414 4.754 4.320 0.032 0.000 0.276 229 A C -0.267 177.326 177.584 0.015 0.000 1.153 229 A CA -0.350 51.662 52.037 -0.042 0.000 0.813 229 A CB 0.206 19.134 19.000 -0.120 0.000 1.081 229 A HN 0.329 nan 8.150 nan 0.000 0.507 230 F N 4.369 124.267 119.950 -0.087 0.000 2.444 230 F HA 0.469 5.016 4.527 0.032 0.000 0.360 230 F C -0.368 175.405 175.800 -0.044 0.000 1.106 230 F CA -0.581 57.384 58.000 -0.059 0.000 1.170 230 F CB 0.789 39.763 39.000 -0.043 0.000 1.113 230 F HN 0.242 nan 8.300 nan 0.000 0.521 231 V N 9.216 128.791 119.914 -0.565 0.000 2.357 231 V HA 0.334 4.473 4.120 0.032 0.000 0.284 231 V C -2.050 173.604 176.094 -0.734 0.000 1.018 231 V CA -1.960 60.002 62.300 -0.564 0.000 0.841 231 V CB 1.179 32.865 31.823 -0.229 0.000 0.991 231 V HN 0.656 nan 8.190 nan 0.000 0.437 232 P HA 0.063 nan 4.420 nan 0.000 0.270 232 P C 0.981 178.284 177.300 0.005 0.000 1.227 232 P CA -0.069 62.788 63.100 -0.404 0.000 0.788 232 P CB 0.830 32.407 31.700 -0.204 0.000 0.926 233 E N 1.342 121.603 120.200 0.103 0.000 2.118 233 E HA -0.219 4.150 4.350 0.032 0.000 0.195 233 E C 1.512 178.204 176.600 0.153 0.000 0.992 233 E CA 1.353 57.865 56.400 0.187 0.000 0.804 233 E CB -0.188 29.575 29.700 0.105 0.000 0.741 233 E HN 0.607 nan 8.360 nan 0.000 0.458 234 E N -0.595 119.658 120.200 0.088 0.000 2.418 234 E HA -0.123 4.246 4.350 0.032 0.000 0.197 234 E C 0.763 177.402 176.600 0.065 0.000 1.026 234 E CA 0.757 57.199 56.400 0.070 0.000 0.862 234 E CB -0.322 29.416 29.700 0.064 0.000 0.799 234 E HN 0.178 nan 8.360 nan 0.000 0.518 235 N N 0.441 119.174 118.700 0.055 0.000 2.236 235 N HA 0.226 4.986 4.740 0.032 0.000 0.196 235 N C -0.182 175.314 175.510 -0.025 0.000 1.114 235 N CA -0.243 52.823 53.050 0.027 0.000 0.859 235 N CB 0.770 39.255 38.487 -0.003 0.000 0.982 235 N HN 0.171 nan 8.380 nan 0.000 0.493 236 I N 1.680 122.225 120.570 -0.043 0.000 2.428 236 I HA 0.160 4.349 4.170 0.032 0.000 0.289 236 I C -0.502 175.458 176.117 -0.261 0.000 1.019 236 I CA -0.670 60.468 61.300 -0.271 0.000 1.351 236 I CB 0.827 38.595 38.000 -0.387 0.000 1.412 236 I HN -0.103 nan 8.210 nan 0.000 0.513 237 L N 9.425 130.433 121.223 -0.359 0.000 2.410 237 L HA 0.229 4.589 4.340 0.032 0.000 0.273 237 L C -1.562 175.173 176.870 -0.224 0.000 1.144 237 L CA -1.041 53.668 54.840 -0.218 0.000 0.863 237 L CB 0.136 42.079 42.059 -0.193 0.000 1.140 237 L HN 0.547 nan 8.230 nan 0.000 0.463 238 P HA 0.048 nan 4.420 nan 0.000 0.264 238 P C 0.407 177.443 177.300 -0.440 0.000 1.259 238 P CA 0.576 63.463 63.100 -0.355 0.000 0.841 238 P CB 0.325 31.750 31.700 -0.457 0.000 1.232 239 H N -1.279 117.794 119.070 0.004 0.000 2.475 239 H HA 0.493 5.057 4.556 0.013 0.000 0.276 239 H C -0.401 174.912 175.328 -0.027 0.000 1.126 239 H CA -0.343 55.726 56.048 0.035 0.000 1.023 239 H CB 0.712 30.537 29.762 0.105 0.000 1.669 239 H HN -0.136 nan 8.280 nan 0.000 0.573 240 V N 0.710 120.561 119.914 -0.104 0.000 3.000 240 V HA 0.365 4.504 4.120 0.032 0.000 0.300 240 V C -1.702 174.276 176.094 -0.194 0.000 1.251 240 V CA -0.765 61.358 62.300 -0.295 0.000 0.972 240 V CB 2.425 33.681 31.823 -0.945 0.000 1.065 240 V HN 0.200 nan 8.190 nan 0.000 0.431 241 K N 3.345 123.655 120.400 -0.151 0.000 2.477 241 K HA 0.812 5.152 4.320 0.032 0.000 0.255 241 K C 0.105 176.657 176.600 -0.081 0.000 0.952 241 K CA -0.056 56.176 56.287 -0.092 0.000 0.826 241 K CB 2.085 34.548 32.500 -0.063 0.000 1.331 241 K HN 1.500 nan 8.250 nan 0.000 0.437 242 G N 1.077 109.846 108.800 -0.050 0.000 2.598 242 G HA2 -0.266 3.713 3.960 0.032 0.000 0.244 242 G HA3 -0.266 3.713 3.960 0.032 0.000 0.244 242 G C 0.387 175.239 174.900 -0.082 0.000 1.302 242 G CA -0.486 44.583 45.100 -0.052 0.000 0.903 242 G HN 0.396 nan 8.290 nan 0.000 0.575 243 L N 0.709 121.883 121.223 -0.081 0.000 2.201 243 L HA 0.026 4.385 4.340 0.032 0.000 0.212 243 L C 2.961 179.799 176.870 -0.053 0.000 1.105 243 L CA 2.359 57.148 54.840 -0.085 0.000 0.775 243 L CB -1.195 40.810 42.059 -0.090 0.000 0.913 243 L HN 0.757 nan 8.230 nan 0.000 0.440 244 R N 0.111 120.580 120.500 -0.052 0.000 2.159 244 R HA -0.139 4.220 4.340 0.032 0.000 0.237 244 R C 2.155 178.483 176.300 0.046 0.000 1.131 244 R CA 1.229 57.358 56.100 0.047 0.000 0.982 244 R CB -0.192 30.116 30.300 0.013 0.000 0.868 244 R HN 0.356 nan 8.270 nan 0.000 0.453 245 G N 1.275 109.972 108.800 -0.170 0.000 2.666 245 G HA2 -0.203 3.777 3.960 0.032 0.000 0.215 245 G HA3 -0.203 3.777 3.960 0.032 0.000 0.215 245 G C -1.004 173.733 174.900 -0.273 0.000 1.294 245 G CA 0.658 45.604 45.100 -0.257 0.000 0.811 245 G HN 0.315 nan 8.290 nan 0.000 0.594 246 P HA -0.127 nan 4.420 nan 0.000 0.216 246 P C 1.672 178.961 177.300 -0.019 0.000 1.153 246 P CA 0.865 63.623 63.100 -0.570 0.000 0.858 246 P CB -0.160 31.155 31.700 -0.642 0.000 0.789 247 F N 0.354 120.249 119.950 -0.091 0.000 2.161 247 F HA -0.206 4.340 4.527 0.031 0.000 0.300 247 F C 1.906 177.756 175.800 0.083 0.000 1.089 247 F CA 1.807 59.813 58.000 0.010 0.000 1.282 247 F CB -1.113 37.889 39.000 0.003 0.000 1.010 247 F HN -0.131 nan 8.300 nan 0.000 0.485 248 T N -0.177 114.493 114.554 0.193 0.000 2.788 248 T HA -0.222 4.147 4.350 0.032 0.000 0.268 248 T C 2.119 176.843 174.700 0.041 0.000 1.044 248 T CA 1.610 63.805 62.100 0.159 0.000 1.139 248 T CB -1.006 68.145 68.868 0.471 0.000 0.867 248 T HN 0.433 nan 8.240 nan 0.000 0.454 249 C N 1.060 120.423 119.300 0.105 0.000 2.453 249 C HA 0.122 4.602 4.460 0.032 0.000 0.277 249 C C 2.707 177.627 174.990 -0.116 0.000 1.262 249 C CA 0.127 59.159 59.018 0.022 0.000 1.718 249 C CB -1.420 26.368 27.740 0.080 0.000 2.031 249 C HN 0.505 nan 8.230 nan 0.000 0.480 250 L N 1.397 122.538 121.223 -0.137 0.000 2.046 250 L HA -0.165 4.194 4.340 0.032 0.000 0.208 250 L C 2.445 179.222 176.870 -0.154 0.000 1.077 250 L CA 1.935 56.698 54.840 -0.128 0.000 0.747 250 L CB -0.886 41.139 42.059 -0.057 0.000 0.896 250 L HN 0.449 nan 8.230 nan 0.000 0.432 251 N N -0.361 118.145 118.700 -0.324 0.000 2.120 251 N HA -0.218 4.541 4.740 0.032 0.000 0.188 251 N C 2.065 177.535 175.510 -0.067 0.000 1.024 251 N CA 1.568 54.443 53.050 -0.292 0.000 0.852 251 N CB -0.041 38.118 38.487 -0.546 0.000 1.003 251 N HN 0.165 nan 8.380 nan 0.000 0.424 252 S N -0.601 115.089 115.700 -0.016 0.000 2.356 252 S HA -0.076 4.414 4.470 0.032 0.000 0.223 252 S C 2.026 176.764 174.600 0.230 0.000 1.032 252 S CA 1.379 59.669 58.200 0.150 0.000 1.005 252 S CB -0.772 62.516 63.200 0.147 0.000 0.867 252 S HN 0.488 nan 8.310 nan 0.000 0.449 253 A N 1.668 124.549 122.820 0.103 0.000 1.917 253 A HA -0.131 4.209 4.320 0.032 0.000 0.219 253 A C 2.277 179.891 177.584 0.051 0.000 1.182 253 A CA 1.741 53.825 52.037 0.078 0.000 0.633 253 A CB -0.729 18.253 19.000 -0.031 0.000 0.819 253 A HN 0.655 nan 8.150 nan 0.000 0.448 254 R N -2.287 118.233 120.500 0.032 0.000 2.096 254 R HA -0.143 4.216 4.340 0.032 0.000 0.235 254 R C 2.159 178.462 176.300 0.005 0.000 1.127 254 R CA 1.620 57.720 56.100 0.001 0.000 0.968 254 R CB -0.541 29.749 30.300 -0.017 0.000 0.861 254 R HN 0.749 nan 8.270 nan 0.000 0.440 255 Y N 0.605 120.887 120.300 -0.030 0.000 2.165 255 Y HA -0.187 4.383 4.550 0.034 0.000 0.286 255 Y C 2.176 178.080 175.900 0.006 0.000 1.155 255 Y CA 1.771 59.871 58.100 -0.000 0.000 1.164 255 Y CB -0.460 38.023 38.460 0.038 0.000 0.978 255 Y HN 0.044 nan 8.280 nan 0.000 0.513 256 G N 0.229 108.867 108.800 -0.271 0.000 2.396 256 G HA2 -0.179 3.800 3.960 0.032 0.000 0.214 256 G HA3 -0.179 3.800 3.960 0.032 0.000 0.214 256 G C 1.653 176.401 174.900 -0.253 0.000 1.166 256 G CA 0.965 45.745 45.100 -0.534 0.000 0.793 256 G HN 0.496 nan 8.290 nan 0.000 0.533 257 I N 1.548 122.029 120.570 -0.148 0.000 2.335 257 I HA -0.205 3.985 4.170 0.032 0.000 0.251 257 I C 3.236 179.284 176.117 -0.115 0.000 1.129 257 I CA 0.873 62.114 61.300 -0.100 0.000 1.402 257 I CB -0.128 37.827 38.000 -0.075 0.000 1.069 257 I HN 0.240 nan 8.210 nan 0.000 0.424 258 A N 0.098 122.819 122.820 -0.165 0.000 1.933 258 A HA -0.221 4.118 4.320 0.032 0.000 0.218 258 A C 1.933 179.362 177.584 -0.258 0.000 1.175 258 A CA 1.460 53.363 52.037 -0.223 0.000 0.628 258 A CB -0.868 17.966 19.000 -0.276 0.000 0.814 258 A HN 0.536 nan 8.150 nan 0.000 0.444 259 W N -0.524 120.565 121.300 -0.353 0.000 2.480 259 W HA 0.166 4.845 4.660 0.032 0.000 0.299 259 W C 2.571 178.976 176.519 -0.190 0.000 1.187 259 W CA 0.923 58.101 57.345 -0.279 0.000 1.347 259 W CB -0.779 28.473 29.460 -0.347 0.000 1.121 259 W HN 0.333 nan 8.180 nan 0.000 0.533 260 G N 0.542 109.374 108.800 0.054 0.000 2.491 260 G HA2 -0.302 3.678 3.960 0.032 0.000 0.218 260 G HA3 -0.302 3.678 3.960 0.032 0.000 0.218 260 G C 1.679 176.578 174.900 -0.001 0.000 1.180 260 G CA 1.866 46.977 45.100 0.019 0.000 0.774 260 G HN 0.298 nan 8.290 nan 0.000 0.562 261 A N 0.405 123.204 122.820 -0.035 0.000 1.948 261 A HA 0.021 4.360 4.320 0.032 0.000 0.220 261 A C 2.438 179.985 177.584 -0.062 0.000 1.177 261 A CA 1.470 53.478 52.037 -0.048 0.000 0.636 261 A CB -0.391 18.569 19.000 -0.065 0.000 0.815 261 A HN 0.389 nan 8.150 nan 0.000 0.449 262 L N -0.991 120.189 121.223 -0.071 0.000 2.201 262 L HA -0.076 4.284 4.340 0.032 0.000 0.212 262 L C 2.756 179.599 176.870 -0.045 0.000 1.105 262 L CA 0.745 55.538 54.840 -0.078 0.000 0.775 262 L CB -0.634 41.355 42.059 -0.117 0.000 0.913 262 L HN 0.499 nan 8.230 nan 0.000 0.440 263 G N -0.251 108.542 108.800 -0.012 0.000 2.421 263 G HA2 -0.248 3.731 3.960 0.032 0.000 0.216 263 G HA3 -0.248 3.731 3.960 0.032 0.000 0.216 263 G C 1.795 176.643 174.900 -0.087 0.000 1.171 263 G CA 0.772 45.866 45.100 -0.009 0.000 0.775 263 G HN 0.444 nan 8.290 nan 0.000 0.543 264 A N 1.295 124.054 122.820 -0.102 0.000 1.883 264 A HA 0.187 4.527 4.320 0.032 0.000 0.217 264 A C 2.840 180.237 177.584 -0.311 0.000 1.186 264 A CA 2.468 54.351 52.037 -0.258 0.000 0.624 264 A CB -0.904 18.047 19.000 -0.082 0.000 0.822 264 A HN 0.842 nan 8.150 nan 0.000 0.444 265 A N -0.355 122.370 122.820 -0.159 0.000 1.908 265 A HA -0.208 4.131 4.320 0.032 0.000 0.218 265 A C 1.937 179.482 177.584 -0.065 0.000 1.181 265 A CA 1.765 53.737 52.037 -0.109 0.000 0.627 265 A CB -0.599 18.350 19.000 -0.086 0.000 0.818 265 A HN 0.650 nan 8.150 nan 0.000 0.445 266 E N -0.194 119.958 120.200 -0.080 0.000 2.085 266 E HA -0.138 4.231 4.350 0.032 0.000 0.194 266 E C 2.370 178.740 176.600 -0.384 0.000 0.994 266 E CA 1.387 57.704 56.400 -0.138 0.000 0.801 266 E CB -0.167 29.432 29.700 -0.170 0.000 0.743 266 E HN 0.601 nan 8.360 nan 0.000 0.453 267 S N 0.352 115.879 115.700 -0.288 0.000 2.359 267 S HA -0.187 4.303 4.470 0.032 0.000 0.224 267 S C 2.200 176.719 174.600 -0.135 0.000 1.035 267 S CA 1.012 59.084 58.200 -0.214 0.000 1.018 267 S CB -0.359 62.672 63.200 -0.283 0.000 0.876 267 S HN 0.396 nan 8.310 nan 0.000 0.448 268 C N 0.269 119.460 119.300 -0.182 0.000 2.413 268 C HA -0.101 4.379 4.460 0.032 0.000 0.276 268 C C 2.302 177.337 174.990 0.074 0.000 1.248 268 C CA 0.405 59.386 59.018 -0.061 0.000 1.742 268 C CB -1.441 26.252 27.740 -0.078 0.000 2.017 268 C HN 0.864 nan 8.230 nan 0.000 0.481 269 W N 1.277 122.514 121.300 -0.105 0.000 2.355 269 W HA -0.133 4.547 4.660 0.032 0.000 0.309 269 W C 2.431 179.020 176.519 0.117 0.000 1.206 269 W CA 1.820 59.156 57.345 -0.014 0.000 1.284 269 W CB -1.190 28.259 29.460 -0.020 0.000 1.145 269 W HN 0.531 nan 8.180 nan 0.000 0.502 270 H N -0.810 118.194 119.070 -0.110 0.000 2.389 270 H HA -0.116 4.460 4.556 0.032 0.000 0.299 270 H C 2.255 177.513 175.328 -0.116 0.000 1.081 270 H CA 1.608 57.506 56.048 -0.250 0.000 1.345 270 H CB -0.088 29.581 29.762 -0.154 0.000 1.393 270 H HN 0.148 nan 8.280 nan 0.000 0.520 271 I N 0.635 121.253 120.570 0.079 0.000 2.252 271 I HA -0.215 3.974 4.170 0.032 0.000 0.245 271 I C 2.789 178.932 176.117 0.043 0.000 1.102 271 I CA 0.799 62.127 61.300 0.046 0.000 1.385 271 I CB -0.215 37.798 38.000 0.021 0.000 1.064 271 I HN 0.262 nan 8.210 nan 0.000 0.414 272 A N 0.788 123.632 122.820 0.040 0.000 1.902 272 A HA -0.241 4.098 4.320 0.032 0.000 0.217 272 A C 2.458 180.100 177.584 0.097 0.000 1.181 272 A CA 1.720 53.787 52.037 0.050 0.000 0.623 272 A CB -0.651 18.386 19.000 0.062 0.000 0.818 272 A HN 0.345 nan 8.150 nan 0.000 0.443 273 R N -0.904 119.624 120.500 0.047 0.000 2.080 273 R HA -0.234 4.126 4.340 0.032 0.000 0.236 273 R C 2.399 178.657 176.300 -0.071 0.000 1.137 273 R CA 2.072 58.142 56.100 -0.050 0.000 0.943 273 R CB -0.325 29.828 30.300 -0.245 0.000 0.846 273 R HN 0.502 nan 8.270 nan 0.000 0.431 274 Q N -0.329 119.434 119.800 -0.062 0.000 2.124 274 Q HA -0.214 4.146 4.340 0.032 0.000 0.202 274 Q C 1.750 177.743 176.000 -0.011 0.000 0.977 274 Q CA 1.921 57.691 55.803 -0.054 0.000 0.850 274 Q CB -0.577 28.142 28.738 -0.032 0.000 0.901 274 Q HN 0.527 nan 8.270 nan 0.000 0.429 275 Y N 0.043 120.298 120.300 -0.076 0.000 2.097 275 Y HA -0.251 4.318 4.550 0.032 0.000 0.282 275 Y C 2.021 177.879 175.900 -0.070 0.000 1.152 275 Y CA 2.300 60.356 58.100 -0.073 0.000 1.136 275 Y CB -0.407 38.001 38.460 -0.086 0.000 0.975 275 Y HN 0.107 nan 8.280 nan 0.000 0.498 276 V N -2.210 117.741 119.914 0.061 0.000 2.626 276 V HA -0.167 3.972 4.120 0.032 0.000 0.252 276 V C 2.035 178.066 176.094 -0.105 0.000 1.067 276 V CA 1.426 63.711 62.300 -0.025 0.000 1.081 276 V CB -0.925 30.933 31.823 0.059 0.000 0.686 276 V HN 0.350 nan 8.190 nan 0.000 0.468 277 L N 1.109 122.268 121.223 -0.107 0.000 2.044 277 L HA 0.008 4.367 4.340 0.032 0.000 0.205 277 L C 2.297 179.086 176.870 -0.134 0.000 1.075 277 L CA 2.008 56.777 54.840 -0.117 0.000 0.747 277 L CB -1.196 40.788 42.059 -0.124 0.000 0.903 277 L HN 0.316 nan 8.230 nan 0.000 0.435 278 D N -0.928 119.375 120.400 -0.162 0.000 2.097 278 D HA -0.093 4.566 4.640 0.032 0.000 0.197 278 D C 1.099 177.266 176.300 -0.222 0.000 0.984 278 D CA 0.797 54.692 54.000 -0.175 0.000 0.826 278 D CB -0.046 40.647 40.800 -0.177 0.000 0.973 278 D HN 0.001 nan 8.370 nan 0.000 0.460 279 R N 0.679 120.973 120.500 -0.344 0.000 2.594 279 R HA 0.375 4.735 4.340 0.032 0.000 0.272 279 R C -0.243 175.926 176.300 -0.218 0.000 1.074 279 R CA 0.137 56.029 56.100 -0.348 0.000 1.105 279 R CB 0.484 30.446 30.300 -0.562 0.000 1.008 279 R HN -0.158 nan 8.270 nan 0.000 0.472 280 K N 1.051 121.342 120.400 -0.182 0.000 2.371 280 K HA 0.427 4.766 4.320 0.032 0.000 0.251 280 K C -1.230 175.260 176.600 -0.183 0.000 0.934 280 K CA -0.671 55.531 56.287 -0.142 0.000 0.798 280 K CB 2.109 34.547 32.500 -0.103 0.000 1.204 280 K HN 0.388 nan 8.250 nan 0.000 0.427 281 Q N 2.543 122.219 119.800 -0.206 0.000 2.281 281 Q HA 0.316 4.675 4.340 0.032 0.000 0.263 281 Q C -1.210 174.568 176.000 -0.371 0.000 0.989 281 Q CA -0.457 55.092 55.803 -0.423 0.000 0.852 281 Q CB 0.815 29.183 28.738 -0.617 0.000 1.337 281 Q HN 0.558 nan 8.270 nan 0.000 0.418 282 F N 0.986 120.930 119.950 -0.010 0.000 2.999 282 F HA -0.178 4.369 4.527 0.032 0.000 0.291 282 F C 0.730 176.524 175.800 -0.011 0.000 0.824 282 F CA 1.038 59.034 58.000 -0.008 0.000 1.255 282 F CB -2.082 36.915 39.000 -0.005 0.000 1.333 282 F HN 0.889 nan 8.300 nan 0.000 0.502 283 G N 0.833 109.683 108.800 0.085 0.000 2.367 283 G HA2 -0.113 3.866 3.960 0.032 0.000 0.295 283 G HA3 -0.113 3.866 3.960 0.032 0.000 0.295 283 G C -0.066 174.863 174.900 0.049 0.000 1.019 283 G CA 0.532 45.661 45.100 0.048 0.000 1.224 283 G HN 0.809 nan 8.290 nan 0.000 0.510 284 R N 0.034 120.549 120.500 0.025 0.000 3.737 284 R HA 0.281 4.641 4.340 0.032 0.000 0.240 284 R C -2.963 173.330 176.300 -0.012 0.000 1.044 284 R CA -1.380 54.736 56.100 0.026 0.000 1.164 284 R CB 1.791 32.140 30.300 0.083 0.000 1.244 284 R HN 0.135 nan 8.270 nan 0.000 0.537 285 P HA -0.022 nan 4.420 nan 0.000 0.269 285 P C 0.425 177.703 177.300 -0.038 0.000 1.209 285 P CA -0.477 62.592 63.100 -0.051 0.000 0.776 285 P CB 0.590 32.260 31.700 -0.051 0.000 0.876 286 L N 3.541 124.725 121.223 -0.065 0.000 2.079 286 L HA -0.194 4.165 4.340 0.032 0.000 0.210 286 L C 2.147 179.017 176.870 -0.000 0.000 1.081 286 L CA 2.102 56.923 54.840 -0.033 0.000 0.752 286 L CB -1.969 40.061 42.059 -0.050 0.000 0.896 286 L HN 0.464 nan 8.230 nan 0.000 0.433 287 A N -0.938 121.871 122.820 -0.019 0.000 2.131 287 A HA -0.080 4.259 4.320 0.032 0.000 0.220 287 A C 2.295 179.878 177.584 -0.001 0.000 1.158 287 A CA 1.358 53.388 52.037 -0.012 0.000 0.665 287 A CB -0.809 18.166 19.000 -0.041 0.000 0.795 287 A HN 0.498 nan 8.150 nan 0.000 0.460 288 A N -0.311 122.512 122.820 0.005 0.000 2.209 288 A HA -0.009 4.331 4.320 0.032 0.000 0.212 288 A C 1.123 178.725 177.584 0.030 0.000 1.158 288 A CA 0.275 52.322 52.037 0.016 0.000 0.742 288 A CB -0.439 18.574 19.000 0.021 0.000 0.790 288 A HN 0.562 nan 8.150 nan 0.000 0.472 289 N N 0.010 118.734 118.700 0.039 0.000 2.518 289 N HA 0.080 4.840 4.740 0.032 0.000 0.283 289 N C 0.611 176.142 175.510 0.033 0.000 1.119 289 N CA -0.116 52.962 53.050 0.048 0.000 0.983 289 N CB 0.780 39.308 38.487 0.069 0.000 1.139 289 N HN 0.409 nan 8.380 nan 0.000 0.465 290 Q N 1.748 121.565 119.800 0.028 0.000 2.084 290 Q HA -0.129 4.230 4.340 0.032 0.000 0.202 290 Q C 1.503 177.515 176.000 0.020 0.000 0.978 290 Q CA 1.387 57.201 55.803 0.019 0.000 0.844 290 Q CB 0.112 28.858 28.738 0.013 0.000 0.898 290 Q HN 0.569 nan 8.270 nan 0.000 0.426 291 L N 0.369 121.607 121.223 0.025 0.000 2.046 291 L HA -0.200 4.159 4.340 0.032 0.000 0.208 291 L C 2.134 179.020 176.870 0.026 0.000 1.077 291 L CA 1.350 56.204 54.840 0.023 0.000 0.747 291 L CB -0.676 41.399 42.059 0.027 0.000 0.896 291 L HN 0.278 nan 8.230 nan 0.000 0.432 292 I N -0.702 119.889 120.570 0.035 0.000 2.286 292 I HA -0.289 3.901 4.170 0.032 0.000 0.248 292 I C 2.476 178.616 176.117 0.038 0.000 1.115 292 I CA 1.299 62.623 61.300 0.040 0.000 1.392 292 I CB -1.062 36.966 38.000 0.048 0.000 1.065 292 I HN 0.470 nan 8.210 nan 0.000 0.418 293 Q N 0.499 120.318 119.800 0.031 0.000 2.119 293 Q HA -0.186 4.173 4.340 0.032 0.000 0.201 293 Q C 2.219 178.236 176.000 0.027 0.000 0.972 293 Q CA 1.218 57.040 55.803 0.031 0.000 0.847 293 Q CB -0.039 28.713 28.738 0.022 0.000 0.903 293 Q HN 0.508 nan 8.270 nan 0.000 0.433 294 K N 0.910 121.320 120.400 0.016 0.000 2.057 294 K HA -0.149 4.190 4.320 0.032 0.000 0.207 294 K C 2.028 178.627 176.600 -0.002 0.000 1.049 294 K CA 1.210 57.500 56.287 0.005 0.000 0.931 294 K CB 0.005 32.506 32.500 0.001 0.000 0.714 294 K HN 0.056 nan 8.250 nan 0.000 0.440 295 K N 0.841 121.244 120.400 0.006 0.000 2.057 295 K HA -0.084 4.255 4.320 0.032 0.000 0.207 295 K C 2.083 178.682 176.600 -0.002 0.000 1.049 295 K CA 1.123 57.409 56.287 -0.001 0.000 0.931 295 K CB -0.124 32.383 32.500 0.012 0.000 0.714 295 K HN 0.058 nan 8.250 nan 0.000 0.440 296 L N 0.435 121.684 121.223 0.044 0.000 2.083 296 L HA -0.177 4.183 4.340 0.032 0.000 0.209 296 L C 2.543 179.421 176.870 0.013 0.000 1.083 296 L CA 1.005 55.904 54.840 0.098 0.000 0.752 296 L CB -0.538 41.628 42.059 0.177 0.000 0.899 296 L HN 0.233 nan 8.230 nan 0.000 0.433 297 A N -0.199 122.625 122.820 0.007 0.000 1.898 297 A HA -0.203 4.137 4.320 0.032 0.000 0.216 297 A C 1.914 179.443 177.584 -0.090 0.000 1.181 297 A CA 1.762 53.790 52.037 -0.015 0.000 0.620 297 A CB -0.419 18.584 19.000 0.005 0.000 0.819 297 A HN 0.321 nan 8.150 nan 0.000 0.442 298 D N -0.223 120.121 120.400 -0.094 0.000 2.117 298 D HA -0.145 4.514 4.640 0.032 0.000 0.197 298 D C 2.052 178.226 176.300 -0.210 0.000 0.987 298 D CA 1.430 55.358 54.000 -0.120 0.000 0.829 298 D CB -0.378 40.370 40.800 -0.086 0.000 0.961 298 D HN 0.488 nan 8.370 nan 0.000 0.460 299 M N 0.271 119.702 119.600 -0.283 0.000 2.065 299 M HA -0.209 4.290 4.480 0.032 0.000 0.259 299 M C 2.389 178.223 176.300 -0.777 0.000 1.069 299 M CA 1.438 56.454 55.300 -0.472 0.000 1.110 299 M CB -0.367 31.918 32.600 -0.525 0.000 1.328 299 M HN -0.009 nan 8.290 nan 0.000 0.405 300 Q N -0.115 119.120 119.800 -0.943 0.000 2.061 300 Q HA -0.177 4.182 4.340 0.032 0.000 0.204 300 Q C 1.757 177.509 176.000 -0.414 0.000 0.984 300 Q CA 2.287 57.535 55.803 -0.924 0.000 0.846 300 Q CB -0.051 28.461 28.738 -0.377 0.000 0.902 300 Q HN 0.464 nan 8.270 nan 0.000 0.421 301 T N 1.304 115.709 114.554 -0.249 0.000 2.674 301 T HA -0.138 4.232 4.350 0.032 0.000 0.265 301 T C 1.557 176.162 174.700 -0.159 0.000 1.039 301 T CA 1.437 63.452 62.100 -0.141 0.000 1.150 301 T CB -0.205 68.606 68.868 -0.096 0.000 0.864 301 T HN 0.341 nan 8.240 nan 0.000 0.427 302 E N 0.747 120.834 120.200 -0.187 0.000 2.150 302 E HA -0.004 4.366 4.350 0.032 0.000 0.193 302 E C 2.253 178.746 176.600 -0.178 0.000 0.985 302 E CA 0.658 56.960 56.400 -0.164 0.000 0.814 302 E CB -0.365 29.243 29.700 -0.153 0.000 0.752 302 E HN 0.529 nan 8.360 nan 0.000 0.466 303 I N 0.948 121.377 120.570 -0.235 0.000 2.163 303 I HA -0.232 3.957 4.170 0.032 0.000 0.240 303 I C 2.337 178.366 176.117 -0.145 0.000 1.081 303 I CA 1.297 62.480 61.300 -0.196 0.000 1.353 303 I CB -0.507 37.357 38.000 -0.227 0.000 1.054 303 I HN 0.046 nan 8.210 nan 0.000 0.407 304 T N 1.605 116.077 114.554 -0.137 0.000 2.635 304 T HA -0.193 4.177 4.350 0.032 0.000 0.267 304 T C 1.946 176.593 174.700 -0.089 0.000 1.040 304 T CA 1.507 63.561 62.100 -0.076 0.000 1.156 304 T CB -0.478 68.367 68.868 -0.038 0.000 0.863 304 T HN 0.225 nan 8.240 nan 0.000 0.430 305 L N 0.632 121.796 121.223 -0.098 0.000 2.046 305 L HA -0.009 4.351 4.340 0.032 0.000 0.208 305 L C 3.089 179.881 176.870 -0.129 0.000 1.077 305 L CA 1.362 56.144 54.840 -0.096 0.000 0.747 305 L CB -1.126 40.881 42.059 -0.086 0.000 0.896 305 L HN 0.380 nan 8.230 nan 0.000 0.432 306 G N 0.216 108.924 108.800 -0.153 0.000 2.440 306 G HA2 -0.238 3.741 3.960 0.032 0.000 0.218 306 G HA3 -0.238 3.741 3.960 0.032 0.000 0.218 306 G C 1.644 176.378 174.900 -0.277 0.000 1.154 306 G CA 0.691 45.670 45.100 -0.201 0.000 0.767 306 G HN 0.232 nan 8.290 nan 0.000 0.552 307 L N -0.223 120.849 121.223 -0.251 0.000 2.056 307 L HA -0.083 4.277 4.340 0.032 0.000 0.207 307 L C 3.209 179.904 176.870 -0.292 0.000 1.078 307 L CA 0.814 55.459 54.840 -0.324 0.000 0.749 307 L CB -0.329 41.625 42.059 -0.175 0.000 0.901 307 L HN 0.153 nan 8.230 nan 0.000 0.433 308 Q N -0.079 119.618 119.800 -0.172 0.000 2.096 308 Q HA -0.164 4.196 4.340 0.032 0.000 0.204 308 Q C 2.259 178.176 176.000 -0.138 0.000 0.982 308 Q CA 1.798 57.531 55.803 -0.117 0.000 0.850 308 Q CB -0.764 27.930 28.738 -0.074 0.000 0.901 308 Q HN 0.577 nan 8.270 nan 0.000 0.422 309 G N 0.811 109.505 108.800 -0.175 0.000 2.433 309 G HA2 -0.186 3.793 3.960 0.032 0.000 0.216 309 G HA3 -0.186 3.793 3.960 0.032 0.000 0.216 309 G C 1.589 176.362 174.900 -0.212 0.000 1.186 309 G CA 1.662 46.663 45.100 -0.166 0.000 0.779 309 G HN 0.378 nan 8.290 nan 0.000 0.543 310 V N -0.868 118.793 119.914 -0.423 0.000 2.667 310 V HA 0.039 4.178 4.120 0.032 0.000 0.252 310 V C 2.560 178.469 176.094 -0.309 0.000 1.065 310 V CA 1.372 63.311 62.300 -0.602 0.000 1.083 310 V CB -0.623 30.330 31.823 -1.450 0.000 0.692 310 V HN 0.207 nan 8.190 nan 0.000 0.468 311 L N 1.230 122.288 121.223 -0.275 0.000 1.989 311 L HA -0.074 4.286 4.340 0.032 0.000 0.211 311 L C 2.663 179.633 176.870 0.167 0.000 1.071 311 L CA 2.602 57.537 54.840 0.158 0.000 0.749 311 L CB -1.033 41.085 42.059 0.098 0.000 0.890 311 L HN 0.408 nan 8.230 nan 0.000 0.431 312 R N -0.370 120.161 120.500 0.052 0.000 2.073 312 R HA -0.178 4.182 4.340 0.032 0.000 0.234 312 R C 2.186 178.533 176.300 0.079 0.000 1.134 312 R CA 2.069 58.201 56.100 0.053 0.000 0.952 312 R CB -1.254 29.051 30.300 0.009 0.000 0.850 312 R HN 0.453 nan 8.270 nan 0.000 0.433 313 L N 0.201 121.474 121.223 0.082 0.000 2.042 313 L HA 0.015 4.374 4.340 0.032 0.000 0.210 313 L C 2.054 179.032 176.870 0.180 0.000 1.076 313 L CA 2.464 57.376 54.840 0.119 0.000 0.749 313 L CB -1.230 40.915 42.059 0.143 0.000 0.893 313 L HN 0.335 nan 8.230 nan 0.000 0.432 314 G N -0.927 108.101 108.800 0.379 0.000 2.402 314 G HA2 -0.217 3.763 3.960 0.032 0.000 0.216 314 G HA3 -0.217 3.763 3.960 0.032 0.000 0.216 314 G C 1.661 176.670 174.900 0.182 0.000 1.162 314 G CA 0.458 45.783 45.100 0.375 0.000 0.777 314 G HN 0.291 nan 8.290 nan 0.000 0.539 315 R N -0.057 120.548 120.500 0.175 0.000 2.083 315 R HA -0.017 4.342 4.340 0.032 0.000 0.237 315 R C 2.689 179.026 176.300 0.061 0.000 1.137 315 R CA 1.349 57.516 56.100 0.111 0.000 0.951 315 R CB -0.730 29.627 30.300 0.095 0.000 0.851 315 R HN 0.418 nan 8.270 nan 0.000 0.434 316 M N 0.462 120.085 119.600 0.037 0.000 2.117 316 M HA -0.168 4.332 4.480 0.032 0.000 0.262 316 M C 2.213 178.488 176.300 -0.041 0.000 1.065 316 M CA 1.714 57.016 55.300 0.002 0.000 1.114 316 M CB -0.303 32.295 32.600 -0.003 0.000 1.361 316 M HN 0.048 nan 8.290 nan 0.000 0.408 317 K N 0.235 120.565 120.400 -0.117 0.000 2.057 317 K HA -0.157 4.183 4.320 0.032 0.000 0.207 317 K C 1.520 178.065 176.600 -0.091 0.000 1.049 317 K CA 1.309 57.422 56.287 -0.289 0.000 0.931 317 K CB -0.213 31.826 32.500 -0.768 0.000 0.714 317 K HN 0.289 nan 8.250 nan 0.000 0.440 318 D N 0.881 121.328 120.400 0.078 0.000 2.178 318 D HA -0.166 4.493 4.640 0.032 0.000 0.201 318 D C 1.513 177.868 176.300 0.091 0.000 0.980 318 D CA 1.250 55.352 54.000 0.170 0.000 0.842 318 D CB 0.024 40.911 40.800 0.145 0.000 0.948 318 D HN 0.540 nan 8.370 nan 0.000 0.472 319 E N -0.629 119.601 120.200 0.050 0.000 2.481 319 E HA 0.236 4.606 4.350 0.032 0.000 0.198 319 E C 1.129 177.745 176.600 0.026 0.000 1.027 319 E CA 0.529 56.951 56.400 0.038 0.000 0.900 319 E CB 0.254 29.972 29.700 0.031 0.000 0.993 319 E HN 0.084 nan 8.360 nan 0.000 0.482 320 G N 1.851 110.659 108.800 0.014 0.000 2.148 320 G HA2 -0.362 3.617 3.960 0.032 0.000 0.254 320 G HA3 -0.362 3.617 3.960 0.032 0.000 0.254 320 G C 0.948 175.846 174.900 -0.002 0.000 0.981 320 G CA 0.812 45.915 45.100 0.004 0.000 0.670 320 G HN 0.476 nan 8.290 nan 0.000 0.528 321 T N -2.567 111.983 114.554 -0.006 0.000 3.144 321 T HA 0.627 4.997 4.350 0.032 0.000 0.249 321 T C 0.984 175.679 174.700 -0.009 0.000 1.089 321 T CA 1.142 63.241 62.100 -0.002 0.000 0.989 321 T CB 0.735 69.606 68.868 0.004 0.000 0.992 321 T HN 1.603 nan 8.240 nan 0.000 0.540 322 A N 1.318 124.120 122.820 -0.029 0.000 2.260 322 A HA 0.819 5.158 4.320 0.032 0.000 0.312 322 A C 0.591 178.163 177.584 -0.019 0.000 1.321 322 A CA -0.752 51.264 52.037 -0.035 0.000 0.928 322 A CB 0.064 19.017 19.000 -0.078 0.000 1.158 322 A HN 0.650 nan 8.150 nan 0.000 0.542 323 A N 2.386 125.209 122.820 0.006 0.000 2.351 323 A HA 0.459 4.798 4.320 0.032 0.000 0.257 323 A C 1.364 178.975 177.584 0.045 0.000 1.087 323 A CA -0.144 51.911 52.037 0.031 0.000 0.798 323 A CB 0.142 19.163 19.000 0.035 0.000 1.033 323 A HN 1.143 nan 8.150 nan 0.000 0.488 324 V N 1.590 121.560 119.914 0.093 0.000 2.324 324 V HA -0.274 3.866 4.120 0.032 0.000 0.250 324 V C 2.347 178.511 176.094 0.117 0.000 1.060 324 V CA 2.693 65.074 62.300 0.135 0.000 1.042 324 V CB -1.166 30.847 31.823 0.317 0.000 0.650 324 V HN 1.005 nan 8.190 nan 0.000 0.450 325 E N 0.090 120.356 120.200 0.110 0.000 2.171 325 E HA -0.227 4.143 4.350 0.032 0.000 0.197 325 E C 1.905 178.535 176.600 0.050 0.000 0.997 325 E CA 1.525 57.979 56.400 0.091 0.000 0.810 325 E CB -0.423 29.319 29.700 0.070 0.000 0.738 325 E HN 0.650 nan 8.360 nan 0.000 0.467 326 I N 0.379 120.968 120.570 0.031 0.000 2.361 326 I HA -0.243 3.946 4.170 0.032 0.000 0.251 326 I C 1.941 178.055 176.117 -0.006 0.000 1.133 326 I CA 1.164 62.469 61.300 0.008 0.000 1.413 326 I CB -0.419 37.584 38.000 0.005 0.000 1.073 326 I HN 0.090 nan 8.210 nan 0.000 0.424 327 T N -0.201 114.357 114.554 0.006 0.000 2.867 327 T HA -0.114 4.255 4.350 0.032 0.000 0.268 327 T C 2.169 176.803 174.700 -0.111 0.000 1.057 327 T CA 1.441 63.533 62.100 -0.014 0.000 1.136 327 T CB -0.107 68.770 68.868 0.015 0.000 0.874 327 T HN 0.260 nan 8.240 nan 0.000 0.466 328 S N 1.156 116.807 115.700 -0.081 0.000 2.359 328 S HA -0.042 4.448 4.470 0.032 0.000 0.224 328 S C 2.015 176.502 174.600 -0.189 0.000 1.035 328 S CA 0.979 59.063 58.200 -0.193 0.000 1.018 328 S CB -0.429 62.862 63.200 0.152 0.000 0.876 328 S HN 0.435 nan 8.310 nan 0.000 0.448 329 I N 1.200 121.722 120.570 -0.080 0.000 2.127 329 I HA -0.236 3.954 4.170 0.032 0.000 0.241 329 I C 2.368 178.419 176.117 -0.111 0.000 1.075 329 I CA 1.131 62.389 61.300 -0.071 0.000 1.334 329 I CB -0.353 37.620 38.000 -0.044 0.000 1.040 329 I HN 0.308 nan 8.210 nan 0.000 0.405 330 M N 0.106 119.632 119.600 -0.124 0.000 2.200 330 M HA -0.131 4.368 4.480 0.032 0.000 0.265 330 M C 2.230 178.421 176.300 -0.183 0.000 1.066 330 M CA 1.460 56.668 55.300 -0.154 0.000 1.127 330 M CB -1.186 31.320 32.600 -0.156 0.000 1.379 330 M HN 0.167 nan 8.290 nan 0.000 0.420 331 K N 0.765 121.041 120.400 -0.208 0.000 2.026 331 K HA -0.173 4.167 4.320 0.032 0.000 0.208 331 K C 2.185 178.673 176.600 -0.187 0.000 1.048 331 K CA 1.387 57.543 56.287 -0.218 0.000 0.929 331 K CB -0.225 32.101 32.500 -0.288 0.000 0.713 331 K HN 0.258 nan 8.250 nan 0.000 0.439 332 R N 0.686 121.060 120.500 -0.210 0.000 2.073 332 R HA -0.185 4.174 4.340 0.032 0.000 0.234 332 R C 2.112 178.363 176.300 -0.082 0.000 1.134 332 R CA 2.093 58.130 56.100 -0.106 0.000 0.952 332 R CB -0.359 29.905 30.300 -0.060 0.000 0.850 332 R HN 0.196 nan 8.270 nan 0.000 0.433 333 N N -0.055 118.586 118.700 -0.099 0.000 2.013 333 N HA -0.143 4.616 4.740 0.032 0.000 0.195 333 N C 1.638 177.084 175.510 -0.106 0.000 1.051 333 N CA 2.420 55.413 53.050 -0.095 0.000 0.851 333 N CB -0.253 38.170 38.487 -0.106 0.000 1.044 333 N HN 0.115 nan 8.380 nan 0.000 0.422 334 S N -0.599 115.021 115.700 -0.135 0.000 2.368 334 S HA -0.209 4.281 4.470 0.032 0.000 0.226 334 S C 2.307 176.846 174.600 -0.102 0.000 1.044 334 S CA 1.456 59.572 58.200 -0.139 0.000 1.062 334 S CB -0.795 62.301 63.200 -0.173 0.000 0.931 334 S HN 0.563 nan 8.310 nan 0.000 0.440 335 C N 1.154 120.402 119.300 -0.086 0.000 2.446 335 C HA 0.038 4.518 4.460 0.032 0.000 0.277 335 C C 2.935 177.898 174.990 -0.044 0.000 1.275 335 C CA 0.367 59.352 59.018 -0.056 0.000 1.727 335 C CB -1.821 25.896 27.740 -0.038 0.000 2.010 335 C HN 0.742 nan 8.230 nan 0.000 0.486 336 G N 0.556 109.329 108.800 -0.046 0.000 2.404 336 G HA2 -0.150 3.830 3.960 0.032 0.000 0.215 336 G HA3 -0.150 3.830 3.960 0.032 0.000 0.215 336 G C 1.716 176.589 174.900 -0.046 0.000 1.174 336 G CA 0.578 45.656 45.100 -0.036 0.000 0.780 336 G HN 0.428 nan 8.290 nan 0.000 0.537 337 K N 0.999 121.362 120.400 -0.063 0.000 2.097 337 K HA 0.101 4.440 4.320 0.032 0.000 0.205 337 K C 2.846 179.402 176.600 -0.073 0.000 1.050 337 K CA 1.026 57.269 56.287 -0.073 0.000 0.938 337 K CB -0.612 31.833 32.500 -0.093 0.000 0.718 337 K HN 0.261 nan 8.250 nan 0.000 0.442 338 A N 1.687 124.464 122.820 -0.071 0.000 1.883 338 A HA -0.171 4.169 4.320 0.032 0.000 0.217 338 A C 2.215 179.770 177.584 -0.047 0.000 1.186 338 A CA 1.306 53.303 52.037 -0.066 0.000 0.624 338 A CB -0.618 18.345 19.000 -0.062 0.000 0.822 338 A HN 0.208 nan 8.150 nan 0.000 0.444 339 L N 0.280 121.482 121.223 -0.035 0.000 2.012 339 L HA -0.186 4.173 4.340 0.032 0.000 0.210 339 L C 1.711 178.567 176.870 -0.024 0.000 1.073 339 L CA 2.595 57.423 54.840 -0.021 0.000 0.748 339 L CB -0.882 41.170 42.059 -0.013 0.000 0.891 339 L HN 0.365 nan 8.230 nan 0.000 0.431 340 D N -0.308 120.073 120.400 -0.032 0.000 2.116 340 D HA -0.222 4.437 4.640 0.032 0.000 0.193 340 D C 2.330 178.607 176.300 -0.039 0.000 0.998 340 D CA 1.987 55.967 54.000 -0.034 0.000 0.836 340 D CB -0.206 40.569 40.800 -0.041 0.000 0.951 340 D HN 0.440 nan 8.370 nan 0.000 0.449 341 I N 0.910 121.450 120.570 -0.051 0.000 2.315 341 I HA -0.238 3.952 4.170 0.032 0.000 0.248 341 I C 2.432 178.529 176.117 -0.034 0.000 1.117 341 I CA 0.943 62.212 61.300 -0.052 0.000 1.404 341 I CB -0.133 37.825 38.000 -0.071 0.000 1.071 341 I HN -0.071 nan 8.210 nan 0.000 0.419 342 A N 0.781 123.581 122.820 -0.033 0.000 1.877 342 A HA -0.199 4.140 4.320 0.032 0.000 0.216 342 A C 2.398 179.970 177.584 -0.019 0.000 1.186 342 A CA 1.460 53.484 52.037 -0.022 0.000 0.620 342 A CB -0.538 18.458 19.000 -0.007 0.000 0.822 342 A HN 0.293 nan 8.150 nan 0.000 0.443 343 R N -1.339 119.151 120.500 -0.016 0.000 2.096 343 R HA -0.079 4.281 4.340 0.032 0.000 0.235 343 R C 2.054 178.341 176.300 -0.021 0.000 1.127 343 R CA 1.288 57.380 56.100 -0.013 0.000 0.968 343 R CB -0.487 29.808 30.300 -0.009 0.000 0.861 343 R HN 0.445 nan 8.270 nan 0.000 0.440 344 L N 0.565 121.773 121.223 -0.025 0.000 2.017 344 L HA -0.123 4.237 4.340 0.032 0.000 0.208 344 L C 2.311 179.159 176.870 -0.037 0.000 1.073 344 L CA 1.933 56.757 54.840 -0.026 0.000 0.745 344 L CB -0.638 41.405 42.059 -0.027 0.000 0.894 344 L HN 0.134 nan 8.230 nan 0.000 0.432 345 A N -0.691 122.104 122.820 -0.041 0.000 1.902 345 A HA -0.249 4.090 4.320 0.032 0.000 0.217 345 A C 2.404 179.906 177.584 -0.136 0.000 1.181 345 A CA 1.736 53.730 52.037 -0.073 0.000 0.623 345 A CB -0.580 18.389 19.000 -0.052 0.000 0.818 345 A HN 0.425 nan 8.150 nan 0.000 0.443 346 R N 0.618 121.058 120.500 -0.101 0.000 2.083 346 R HA -0.157 4.202 4.340 0.032 0.000 0.237 346 R C 1.164 177.406 176.300 -0.096 0.000 1.137 346 R CA 2.283 58.321 56.100 -0.104 0.000 0.951 346 R CB -0.755 29.531 30.300 -0.024 0.000 0.851 346 R HN 0.456 nan 8.270 nan 0.000 0.434 347 D N -0.342 120.024 120.400 -0.058 0.000 2.264 347 D HA -0.097 4.563 4.640 0.032 0.000 0.208 347 D C 1.749 178.014 176.300 -0.057 0.000 0.966 347 D CA 1.203 55.181 54.000 -0.036 0.000 0.864 347 D CB -0.102 40.689 40.800 -0.015 0.000 0.933 347 D HN 0.356 nan 8.370 nan 0.000 0.499 348 M N -0.108 119.435 119.600 -0.095 0.000 2.319 348 M HA -0.010 4.489 4.480 0.032 0.000 0.265 348 M C 0.496 176.664 176.300 -0.220 0.000 1.068 348 M CA 0.588 55.825 55.300 -0.105 0.000 1.118 348 M CB 0.183 32.730 32.600 -0.088 0.000 1.395 348 M HN -0.121 nan 8.290 nan 0.000 0.435 349 L N 1.160 122.148 121.223 -0.392 0.000 2.361 349 L HA 0.235 4.595 4.340 0.032 0.000 0.278 349 L C 0.554 177.293 176.870 -0.218 0.000 1.113 349 L CA -0.557 53.905 54.840 -0.629 0.000 0.849 349 L CB 0.006 41.482 42.059 -0.971 0.000 1.155 349 L HN 0.098 nan 8.230 nan 0.000 0.452 350 G N 2.098 110.868 108.800 -0.051 0.000 2.335 350 G HA2 0.632 4.612 3.960 0.032 0.000 0.314 350 G HA3 0.632 4.612 3.960 0.032 0.000 0.314 350 G C -0.022 174.995 174.900 0.194 0.000 1.129 350 G CA 0.044 45.203 45.100 0.099 0.000 0.912 350 G HN 0.899 nan 8.290 nan 0.000 0.443 351 G N 0.832 109.777 108.800 0.241 0.000 2.353 351 G HA2 0.309 4.288 3.960 0.032 0.000 0.308 351 G HA3 0.309 4.288 3.960 0.032 0.000 0.308 351 G C -1.463 173.569 174.900 0.220 0.000 1.418 351 G CA -0.848 44.420 45.100 0.280 0.000 0.966 351 G HN 0.955 nan 8.290 nan 0.000 0.638 352 N N 0.164 118.848 118.700 -0.027 0.000 2.725 352 N HA 0.658 5.418 4.740 0.032 0.000 0.248 352 N C 0.160 175.456 175.510 -0.356 0.000 1.402 352 N CA 1.406 54.316 53.050 -0.235 0.000 0.766 352 N CB 0.791 39.222 38.487 -0.093 0.000 1.223 352 N HN 2.284 nan 8.380 nan 0.000 0.515 357 E N 0.503 120.745 120.200 0.070 0.000 2.265 357 E HA -0.024 4.346 4.350 0.032 0.000 0.196 357 E C 1.485 177.978 176.600 -0.179 0.000 0.996 357 E CA 0.864 57.238 56.400 -0.043 0.000 0.832 357 E CB -0.987 28.689 29.700 -0.040 0.000 0.756 357 E HN 0.358 nan 8.360 nan 0.000 0.491 358 F N 1.428 121.363 119.950 -0.026 0.000 2.805 358 F HA 0.208 4.755 4.527 0.032 0.000 0.301 358 F C 2.200 177.964 175.800 -0.059 0.000 1.196 358 F CA 0.565 58.538 58.000 -0.046 0.000 1.439 358 F CB -0.429 38.549 39.000 -0.037 0.000 1.117 358 F HN 0.189 nan 8.300 nan 0.000 0.581 359 G N 0.153 108.993 108.800 0.068 0.000 2.507 359 G HA2 -0.282 3.697 3.960 0.032 0.000 0.221 359 G HA3 -0.282 3.697 3.960 0.032 0.000 0.221 359 G C 1.860 176.769 174.900 0.016 0.000 1.119 359 G CA 1.327 46.426 45.100 -0.001 0.000 0.751 359 G HN 0.289 nan 8.290 nan 0.000 0.574 360 V N 1.452 121.385 119.914 0.032 0.000 2.324 360 V HA -0.214 3.926 4.120 0.032 0.000 0.250 360 V C 3.319 179.429 176.094 0.028 0.000 1.060 360 V CA 2.104 64.423 62.300 0.032 0.000 1.042 360 V CB -0.953 30.820 31.823 -0.083 0.000 0.650 360 V HN 0.522 nan 8.190 nan 0.000 0.450 361 A N -0.234 122.620 122.820 0.057 0.000 1.908 361 A HA -0.282 4.057 4.320 0.032 0.000 0.218 361 A C 2.413 179.952 177.584 -0.075 0.000 1.181 361 A CA 2.192 54.265 52.037 0.059 0.000 0.627 361 A CB -0.563 18.530 19.000 0.154 0.000 0.818 361 A HN 0.510 nan 8.150 nan 0.000 0.445 362 R N -1.445 118.908 120.500 -0.246 0.000 2.070 362 R HA -0.163 4.196 4.340 0.032 0.000 0.233 362 R C 2.211 178.262 176.300 -0.416 0.000 1.137 362 R CA 1.598 57.331 56.100 -0.613 0.000 0.945 362 R CB -0.459 29.306 30.300 -0.892 0.000 0.845 362 R HN 0.663 nan 8.270 nan 0.000 0.430 363 H N 0.346 119.288 119.070 -0.213 0.000 2.352 363 H HA -0.174 4.402 4.556 0.032 0.000 0.299 363 H C 2.064 177.341 175.328 -0.084 0.000 1.097 363 H CA 1.656 57.627 56.048 -0.130 0.000 1.311 363 H CB -0.213 29.496 29.762 -0.089 0.000 1.377 363 H HN 0.172 nan 8.280 nan 0.000 0.504 364 L N 1.296 122.549 121.223 0.050 0.000 1.970 364 L HA -0.156 4.204 4.340 0.032 0.000 0.212 364 L C 2.755 179.641 176.870 0.028 0.000 1.071 364 L CA 1.740 56.599 54.840 0.032 0.000 0.751 364 L CB -1.114 40.962 42.059 0.029 0.000 0.889 364 L HN 0.190 nan 8.230 nan 0.000 0.432 365 V N -2.054 117.877 119.914 0.027 0.000 2.490 365 V HA -0.210 3.929 4.120 0.032 0.000 0.250 365 V C 2.346 178.483 176.094 0.072 0.000 1.061 365 V CA 1.947 64.288 62.300 0.068 0.000 1.064 365 V CB -1.189 30.717 31.823 0.139 0.000 0.670 365 V HN 0.485 nan 8.190 nan 0.000 0.461 366 N N 1.024 119.752 118.700 0.047 0.000 2.106 366 N HA -0.017 4.743 4.740 0.032 0.000 0.188 366 N C 1.819 177.349 175.510 0.033 0.000 1.029 366 N CA 2.008 55.087 53.050 0.047 0.000 0.848 366 N CB -0.552 37.938 38.487 0.007 0.000 1.007 366 N HN 0.492 nan 8.380 nan 0.000 0.423 367 L N 1.282 122.524 121.223 0.031 0.000 2.141 367 L HA -0.107 4.253 4.340 0.032 0.000 0.209 367 L C 2.004 178.885 176.870 0.018 0.000 1.094 367 L CA 0.996 55.849 54.840 0.022 0.000 0.763 367 L CB -0.259 41.811 42.059 0.020 0.000 0.908 367 L HN 0.218 nan 8.230 nan 0.000 0.437 368 E N -0.629 119.585 120.200 0.022 0.000 2.150 368 E HA -0.171 4.199 4.350 0.032 0.000 0.193 368 E C 2.238 178.847 176.600 0.015 0.000 0.985 368 E CA 1.064 57.475 56.400 0.018 0.000 0.814 368 E CB 0.046 29.759 29.700 0.022 0.000 0.752 368 E HN 0.288 nan 8.360 nan 0.000 0.466 369 V N 0.694 120.619 119.914 0.018 0.000 2.379 369 V HA -0.201 3.939 4.120 0.032 0.000 0.245 369 V C 2.302 178.419 176.094 0.038 0.000 1.044 369 V CA 1.122 63.429 62.300 0.012 0.000 1.036 369 V CB -0.247 31.578 31.823 0.004 0.000 0.664 369 V HN 0.127 nan 8.190 nan 0.000 0.453 370 V N 0.675 120.604 119.914 0.025 0.000 2.332 370 V HA -0.266 3.874 4.120 0.032 0.000 0.248 370 V C 2.170 178.294 176.094 0.051 0.000 1.055 370 V CA 2.148 64.462 62.300 0.022 0.000 1.038 370 V CB -0.828 30.992 31.823 -0.005 0.000 0.651 370 V HN 0.607 nan 8.190 nan 0.000 0.450 371 N N 0.270 118.990 118.700 0.034 0.000 2.459 371 N HA -0.091 4.668 4.740 0.032 0.000 0.181 371 N C 1.664 177.196 175.510 0.036 0.000 1.046 371 N CA 1.733 54.802 53.050 0.032 0.000 0.904 371 N CB 0.101 38.597 38.487 0.015 0.000 0.964 371 N HN 0.719 nan 8.380 nan 0.000 0.444 372 T N -3.609 110.967 114.554 0.036 0.000 3.054 372 T HA 0.037 4.407 4.350 0.032 0.000 0.255 372 T C 1.533 176.240 174.700 0.010 0.000 1.035 372 T CA -0.390 61.716 62.100 0.009 0.000 0.941 372 T CB -0.330 68.527 68.868 -0.018 0.000 1.026 372 T HN 0.108 nan 8.240 nan 0.000 0.533 373 Y N 2.386 122.651 120.300 -0.059 0.000 2.224 373 Y HA 0.048 4.617 4.550 0.032 0.000 0.289 373 Y C 1.966 177.841 175.900 -0.041 0.000 1.146 373 Y CA 1.445 59.506 58.100 -0.065 0.000 1.182 373 Y CB 0.031 38.467 38.460 -0.040 0.000 0.983 373 Y HN 0.250 nan 8.280 nan 0.000 0.524 374 E N 0.358 120.596 120.200 0.064 0.000 2.368 374 E HA 0.319 4.688 4.350 0.032 0.000 0.188 374 E C -0.260 176.268 176.600 -0.121 0.000 1.061 374 E CA 0.393 56.785 56.400 -0.013 0.000 0.933 374 E CB -0.274 29.477 29.700 0.085 0.000 1.091 374 E HN 0.509 nan 8.360 nan 0.000 0.458 375 G N -1.703 107.019 108.800 -0.129 0.000 2.528 375 G HA2 -0.057 3.923 3.960 0.032 0.000 0.681 375 G HA3 -0.057 3.923 3.960 0.032 0.000 0.681 375 G C 0.498 175.350 174.900 -0.081 0.000 1.340 375 G CA -0.427 44.591 45.100 -0.136 0.000 0.855 375 G HN 0.044 nan 8.290 nan 0.000 0.649 376 T N 0.346 114.903 114.554 0.005 0.000 3.139 376 T HA 0.312 4.681 4.350 0.032 0.000 0.267 376 T C 1.010 175.782 174.700 0.119 0.000 1.164 376 T CA 2.529 64.663 62.100 0.056 0.000 1.075 376 T CB -0.598 68.316 68.868 0.076 0.000 0.904 376 T HN 1.728 nan 8.240 nan 0.000 0.540 377 H N -2.016 117.044 119.070 -0.017 0.000 2.960 377 H HA 0.438 5.014 4.556 0.032 0.000 0.338 377 H C -1.792 173.529 175.328 -0.011 0.000 1.261 377 H CA -1.086 54.956 56.048 -0.011 0.000 1.136 377 H CB 0.644 30.398 29.762 -0.013 0.000 1.875 377 H HN -0.099 nan 8.280 nan 0.000 0.550 378 D N 1.054 121.452 120.400 -0.003 0.000 2.671 378 D HA 0.143 4.802 4.640 0.032 0.000 0.228 378 D C 1.869 178.112 176.300 -0.094 0.000 1.102 378 D CA 0.476 54.458 54.000 -0.031 0.000 1.044 378 D CB -0.887 39.942 40.800 0.049 0.000 1.113 378 D HN 0.562 nan 8.370 nan 0.000 0.480 379 I N 2.021 122.408 120.570 -0.305 0.000 2.236 379 I HA -0.290 3.899 4.170 0.032 0.000 0.249 379 I C 2.153 178.135 176.117 -0.226 0.000 1.102 379 I CA 1.730 62.839 61.300 -0.317 0.000 1.365 379 I CB -0.964 36.770 38.000 -0.444 0.000 1.051 379 I HN 0.483 nan 8.210 nan 0.000 0.420 380 H N 0.290 119.344 119.070 -0.027 0.000 2.436 380 H HA 0.196 4.772 4.556 0.032 0.000 0.294 380 H C 2.636 177.969 175.328 0.009 0.000 1.048 380 H CA 1.367 57.417 56.048 0.002 0.000 1.353 380 H CB -0.436 29.325 29.762 -0.001 0.000 1.414 380 H HN 0.639 nan 8.280 nan 0.000 0.536 381 A N 1.305 124.189 122.820 0.107 0.000 1.908 381 A HA -0.118 4.222 4.320 0.032 0.000 0.218 381 A C 2.611 180.229 177.584 0.056 0.000 1.181 381 A CA 1.074 53.153 52.037 0.070 0.000 0.627 381 A CB -0.825 18.208 19.000 0.054 0.000 0.818 381 A HN 0.272 nan 8.150 nan 0.000 0.445 382 L N -0.705 120.547 121.223 0.049 0.000 2.109 382 L HA -0.116 4.243 4.340 0.032 0.000 0.207 382 L C 2.435 179.328 176.870 0.038 0.000 1.086 382 L CA 0.824 55.691 54.840 0.044 0.000 0.760 382 L CB -0.516 41.576 42.059 0.056 0.000 0.910 382 L HN 0.370 nan 8.230 nan 0.000 0.437 383 I N 0.038 120.634 120.570 0.043 0.000 2.127 383 I HA -0.339 3.851 4.170 0.032 0.000 0.241 383 I C 2.408 178.561 176.117 0.060 0.000 1.075 383 I CA 1.603 62.938 61.300 0.059 0.000 1.334 383 I CB -0.262 37.800 38.000 0.104 0.000 1.040 383 I HN 0.224 nan 8.210 nan 0.000 0.405 384 L N 0.267 121.531 121.223 0.067 0.000 2.141 384 L HA -0.097 4.262 4.340 0.032 0.000 0.209 384 L C 2.645 179.535 176.870 0.034 0.000 1.094 384 L CA 1.307 56.177 54.840 0.049 0.000 0.763 384 L CB -1.027 41.059 42.059 0.046 0.000 0.908 384 L HN 0.304 nan 8.230 nan 0.000 0.437 385 G N -0.245 108.575 108.800 0.033 0.000 2.433 385 G HA2 -0.280 3.700 3.960 0.032 0.000 0.216 385 G HA3 -0.280 3.700 3.960 0.032 0.000 0.216 385 G C 1.720 176.632 174.900 0.020 0.000 1.186 385 G CA 0.635 45.750 45.100 0.024 0.000 0.779 385 G HN 0.225 nan 8.290 nan 0.000 0.543 386 R N 0.633 121.146 120.500 0.021 0.000 2.083 386 R HA -0.072 4.288 4.340 0.032 0.000 0.237 386 R C 2.831 179.139 176.300 0.014 0.000 1.137 386 R CA 1.634 57.743 56.100 0.015 0.000 0.951 386 R CB -0.457 29.851 30.300 0.013 0.000 0.851 386 R HN 0.297 nan 8.270 nan 0.000 0.434 387 A N 0.484 123.316 122.820 0.020 0.000 1.972 387 A HA -0.190 4.150 4.320 0.032 0.000 0.219 387 A C 2.005 179.598 177.584 0.015 0.000 1.169 387 A CA 1.343 53.392 52.037 0.019 0.000 0.635 387 A CB -0.330 18.687 19.000 0.029 0.000 0.810 387 A HN 0.501 nan 8.150 nan 0.000 0.446 388 Q N -1.309 118.500 119.800 0.015 0.000 2.187 388 Q HA -0.075 4.284 4.340 0.032 0.000 0.199 388 Q C 2.087 178.092 176.000 0.008 0.000 0.957 388 Q CA 1.700 57.510 55.803 0.011 0.000 0.857 388 Q CB 0.040 28.784 28.738 0.011 0.000 0.929 388 Q HN 0.878 nan 8.270 nan 0.000 0.453 389 T N -5.479 109.080 114.554 0.008 0.000 2.978 389 T HA 0.265 4.634 4.350 0.032 0.000 0.248 389 T C 1.328 176.030 174.700 0.004 0.000 1.018 389 T CA 0.524 62.627 62.100 0.006 0.000 1.026 389 T CB 0.765 69.636 68.868 0.006 0.000 1.032 389 T HN 0.316 nan 8.240 nan 0.000 0.485 390 G N 1.496 110.299 108.800 0.005 0.000 2.160 390 G HA2 -0.185 3.795 3.960 0.032 0.000 0.251 390 G HA3 -0.185 3.795 3.960 0.032 0.000 0.251 390 G C -0.145 174.756 174.900 0.001 0.000 1.008 390 G CA 0.325 45.426 45.100 0.002 0.000 0.724 390 G HN 0.676 nan 8.290 nan 0.000 0.514 391 I N 0.138 120.710 120.570 0.003 0.000 2.498 391 I HA 0.378 4.568 4.170 0.032 0.000 0.290 391 I C 0.164 176.283 176.117 0.003 0.000 1.032 391 I CA -0.937 60.364 61.300 0.002 0.000 1.073 391 I CB 1.950 39.951 38.000 0.002 0.000 1.251 391 I HN 0.112 nan 8.210 nan 0.000 0.426 392 Q N 5.616 125.416 119.800 0.001 0.000 2.259 392 Q HA 0.789 5.148 4.340 0.032 0.000 0.249 392 Q C -1.367 174.635 176.000 0.003 0.000 0.914 392 Q CA -0.253 55.551 55.803 0.002 0.000 0.904 392 Q CB 1.920 30.656 28.738 -0.003 0.000 1.213 392 Q HN 0.830 nan 8.270 nan 0.000 0.428 393 A N 0.000 122.825 122.820 0.009 0.000 2.254 393 A HA 0.000 4.339 4.320 0.032 0.000 0.244 393 A CA 0.000 52.042 52.037 0.008 0.000 0.836 393 A CB 0.000 19.005 19.000 0.009 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486