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 1dww_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.130 176.000 0.217 0.000 1.003 77 Q CA 0.000 55.773 55.803 -0.049 0.000 1.022 77 Q CB 0.000 28.541 28.738 -0.328 0.000 1.108 78 Y N -1.966 118.451 120.300 0.196 0.000 2.779 78 Y HA 0.735 5.285 4.550 0.000 0.000 0.340 78 Y C -1.498 174.440 175.900 0.063 0.000 1.252 78 Y CA -1.385 56.829 58.100 0.190 0.000 1.072 78 Y CB 0.627 39.156 38.460 0.115 0.000 1.343 78 Y HN 0.097 nan 8.280 nan 0.000 0.450 79 V N 2.547 122.651 119.914 0.317 0.000 2.459 79 V HA 0.549 4.669 4.120 0.000 0.000 0.295 79 V C -0.110 176.142 176.094 0.262 0.000 1.029 79 V CA -0.899 61.484 62.300 0.139 0.000 0.874 79 V CB 1.462 33.169 31.823 -0.192 0.000 0.985 79 V HN 0.809 nan 8.190 nan 0.000 0.438 80 R N 4.650 125.315 120.500 0.275 0.000 2.265 80 R HA 0.603 4.944 4.340 0.000 0.000 0.314 80 R C -1.164 175.179 176.300 0.073 0.000 1.053 80 R CA -0.241 56.003 56.100 0.241 0.000 0.931 80 R CB 0.582 31.045 30.300 0.272 0.000 1.024 80 R HN 0.714 nan 8.270 nan 0.000 0.457 81 I N 3.864 124.415 120.570 -0.031 0.000 2.509 81 I HA 0.338 4.508 4.170 0.000 0.000 0.293 81 I C -0.588 175.429 176.117 -0.166 0.000 1.020 81 I CA -0.873 60.382 61.300 -0.075 0.000 1.088 81 I CB 2.202 40.138 38.000 -0.107 0.000 1.267 81 I HN 0.594 nan 8.210 nan 0.000 0.430 82 K N 5.045 125.354 120.400 -0.152 0.000 2.371 82 K HA 0.359 4.679 4.320 0.000 0.000 0.251 82 K C -1.084 175.323 176.600 -0.322 0.000 0.934 82 K CA -0.715 55.372 56.287 -0.334 0.000 0.798 82 K CB 1.776 33.932 32.500 -0.574 0.000 1.204 82 K HN 0.494 nan 8.250 nan 0.000 0.427 83 N N 3.584 122.087 118.700 -0.327 0.000 2.425 83 N HA 0.115 4.855 4.740 0.000 0.000 0.268 83 N C -0.280 175.086 175.510 -0.240 0.000 0.991 83 N CA -0.337 52.635 53.050 -0.130 0.000 0.931 83 N CB 0.508 38.958 38.487 -0.061 0.000 1.130 83 N HN 0.650 nan 8.380 nan 0.000 0.493 84 W N 2.177 123.556 121.300 0.131 0.000 2.937 84 W HA 0.249 4.909 4.660 0.000 0.000 0.245 84 W C 1.960 178.519 176.519 0.067 0.000 1.306 84 W CA -0.027 57.390 57.345 0.120 0.000 1.470 84 W CB 0.305 29.875 29.460 0.183 0.000 1.132 84 W HN 0.686 nan 8.180 nan 0.000 0.675 85 G N -1.500 107.395 108.800 0.159 0.000 2.608 85 G HA2 -0.109 3.851 3.960 0.000 0.000 0.210 85 G HA3 -0.109 3.851 3.960 0.000 0.000 0.210 85 G C 1.470 176.360 174.900 -0.018 0.000 1.139 85 G CA 0.973 46.066 45.100 -0.011 0.000 0.812 85 G HN 0.202 nan 8.290 nan 0.000 0.529 86 S N -0.845 114.841 115.700 -0.024 0.000 2.475 86 S HA 0.348 4.818 4.470 0.000 0.000 0.224 86 S C 1.972 176.518 174.600 -0.089 0.000 1.042 86 S CA 1.320 59.488 58.200 -0.054 0.000 0.935 86 S CB -0.163 63.002 63.200 -0.057 0.000 0.801 86 S HN 1.355 nan 8.310 nan 0.000 0.509 87 G N 1.182 109.895 108.800 -0.145 0.000 2.199 87 G HA2 -0.259 3.701 3.960 0.000 0.000 0.254 87 G HA3 -0.259 3.701 3.960 0.000 0.000 0.254 87 G C -0.069 174.697 174.900 -0.224 0.000 0.982 87 G CA 0.428 45.405 45.100 -0.205 0.000 0.632 87 G HN 0.654 nan 8.290 nan 0.000 0.529 88 E N 0.313 120.396 120.200 -0.195 0.000 2.392 88 E HA 0.452 4.802 4.350 0.000 0.000 0.264 88 E C 0.190 176.633 176.600 -0.263 0.000 1.024 88 E CA -0.194 56.087 56.400 -0.200 0.000 0.903 88 E CB 0.231 29.831 29.700 -0.166 0.000 0.963 88 E HN 0.406 nan 8.360 nan 0.000 0.432 89 I N 5.224 125.626 120.570 -0.280 0.000 2.474 89 I HA 0.335 4.505 4.170 0.000 0.000 0.294 89 I C -0.465 175.374 176.117 -0.462 0.000 1.005 89 I CA -0.741 60.352 61.300 -0.345 0.000 1.113 89 I CB 1.300 39.116 38.000 -0.306 0.000 1.289 89 I HN 0.395 nan 8.210 nan 0.000 0.436 90 L N 5.119 126.031 121.223 -0.520 0.000 2.354 90 L HA 0.521 4.861 4.340 0.000 0.000 0.264 90 L C -1.048 175.499 176.870 -0.539 0.000 1.008 90 L CA -0.769 53.704 54.840 -0.612 0.000 0.819 90 L CB 2.254 43.804 42.059 -0.848 0.000 1.339 90 L HN 0.551 nan 8.230 nan 0.000 0.420 91 H N 0.268 119.189 119.070 -0.248 0.000 2.587 91 H HA 0.199 4.755 4.556 0.000 0.000 0.325 91 H C -1.108 174.249 175.328 0.049 0.000 1.012 91 H CA -0.707 55.157 56.048 -0.307 0.000 1.213 91 H CB 1.967 31.199 29.762 -0.883 0.000 1.431 91 H HN 0.424 nan 8.280 nan 0.000 0.492 92 D N 2.595 123.164 120.400 0.282 0.000 2.295 92 D HA 0.043 4.683 4.640 0.000 0.000 0.248 92 D C 0.326 176.785 176.300 0.265 0.000 1.154 92 D CA 0.047 54.232 54.000 0.308 0.000 0.857 92 D CB 1.371 42.285 40.800 0.191 0.000 1.117 92 D HN 0.656 nan 8.370 nan 0.000 0.468 93 T N 2.909 117.592 114.554 0.215 0.000 3.038 93 T HA -0.056 4.294 4.350 0.000 0.000 0.244 93 T C 1.891 176.645 174.700 0.090 0.000 1.016 93 T CA -0.310 61.930 62.100 0.234 0.000 1.098 93 T CB 0.135 69.111 68.868 0.179 0.000 0.954 93 T HN 0.222 nan 8.240 nan 0.000 0.469 94 L N 2.845 124.074 121.223 0.009 0.000 2.089 94 L HA -0.212 4.128 4.340 0.000 0.000 0.213 94 L C 2.406 179.124 176.870 -0.253 0.000 1.079 94 L CA 2.133 56.934 54.840 -0.064 0.000 0.758 94 L CB -0.862 41.186 42.059 -0.018 0.000 0.891 94 L HN 0.648 nan 8.230 nan 0.000 0.433 95 H N -3.908 114.736 119.070 -0.710 0.000 2.492 95 H HA -0.197 4.359 4.556 0.000 0.000 0.296 95 H C 1.909 176.864 175.328 -0.621 0.000 1.095 95 H CA 1.782 57.093 56.048 -1.228 0.000 1.281 95 H CB -0.769 28.296 29.762 -1.161 0.000 1.374 95 H HN 0.561 nan 8.280 nan 0.000 0.545 96 H N 0.834 119.421 119.070 -0.804 0.000 2.457 96 H HA 0.022 4.578 4.556 0.000 0.000 0.294 96 H C 1.373 176.530 175.328 -0.285 0.000 1.064 96 H CA 1.088 56.804 56.048 -0.553 0.000 1.330 96 H CB 0.227 29.736 29.762 -0.421 0.000 1.395 96 H HN 0.403 nan 8.280 nan 0.000 0.541 97 K N 0.829 121.159 120.400 -0.115 0.000 2.505 97 K HA 0.191 4.511 4.320 0.000 0.000 0.192 97 K C 0.488 177.065 176.600 -0.038 0.000 1.025 97 K CA -0.091 56.169 56.287 -0.046 0.000 1.086 97 K CB 0.554 33.044 32.500 -0.015 0.000 0.840 97 K HN 0.167 nan 8.250 nan 0.000 0.514 98 A N 1.393 124.155 122.820 -0.096 0.000 2.520 98 A HA 0.021 4.341 4.320 0.000 0.000 0.235 98 A C 0.552 178.127 177.584 -0.016 0.000 1.065 98 A CA 0.216 52.225 52.037 -0.047 0.000 0.764 98 A CB 0.265 19.199 19.000 -0.111 0.000 1.002 98 A HN 0.162 nan 8.150 nan 0.000 0.502 99 T N 1.376 115.924 114.554 -0.010 0.000 2.754 99 T HA 0.299 4.649 4.350 0.000 0.000 0.286 99 T C 1.854 176.572 174.700 0.031 0.000 0.997 99 T CA 0.344 62.446 62.100 0.003 0.000 0.982 99 T CB 0.247 69.093 68.868 -0.037 0.000 1.027 99 T HN 0.844 nan 8.240 nan 0.000 0.529 100 S N 1.022 116.750 115.700 0.047 0.000 2.208 100 S HA -0.168 4.302 4.470 0.000 0.000 0.433 100 S C 0.431 175.070 174.600 0.066 0.000 0.994 100 S CA 1.619 59.853 58.200 0.057 0.000 2.516 100 S CB -0.444 62.789 63.200 0.055 0.000 1.857 100 S HN 0.781 nan 8.310 nan 0.000 0.498 101 D N -1.409 119.041 120.400 0.084 0.000 2.523 101 D HA 0.657 5.297 4.640 0.000 0.000 0.236 101 D C -0.866 175.554 176.300 0.200 0.000 1.094 101 D CA -0.499 53.571 54.000 0.116 0.000 0.942 101 D CB 1.435 42.281 40.800 0.077 0.000 1.447 101 D HN 0.152 nan 8.370 nan 0.000 0.479 102 F N -0.177 119.784 119.950 0.020 0.000 2.611 102 F HA 0.252 4.779 4.527 0.000 0.000 0.374 102 F C 1.781 177.601 175.800 0.033 0.000 1.110 102 F CA -0.503 57.511 58.000 0.024 0.000 1.090 102 F CB 0.934 39.958 39.000 0.039 0.000 1.388 102 F HN 0.217 nan 8.300 nan 0.000 0.501 103 T N 0.344 114.402 114.554 -0.827 0.000 2.720 103 T HA -0.140 4.210 4.350 0.000 0.000 0.268 103 T C 0.871 175.468 174.700 -0.171 0.000 1.037 103 T CA 1.222 63.021 62.100 -0.501 0.000 1.144 103 T CB -0.744 67.724 68.868 -0.667 0.000 0.864 103 T HN 0.442 nan 8.240 nan 0.000 0.444 104 C N 2.167 121.440 119.300 -0.045 0.000 2.605 104 C HA 0.575 5.035 4.460 0.000 0.000 0.404 104 C C 0.927 175.948 174.990 0.052 0.000 1.284 104 C CA -1.268 57.776 59.018 0.044 0.000 2.199 104 C CB 0.526 28.337 27.740 0.119 0.000 2.647 104 C HN 0.399 nan 8.230 nan 0.000 0.604 105 K N 1.048 121.471 120.400 0.037 0.000 2.520 105 K HA 0.291 4.611 4.320 0.000 0.000 0.256 105 K C 1.240 177.864 176.600 0.040 0.000 1.033 105 K CA 0.155 56.462 56.287 0.033 0.000 1.007 105 K CB 0.467 32.980 32.500 0.021 0.000 1.330 105 K HN 0.698 nan 8.250 nan 0.000 0.507 106 S N -0.462 115.258 115.700 0.032 0.000 2.470 106 S HA 0.057 4.527 4.470 0.000 0.000 0.225 106 S C 0.730 175.345 174.600 0.025 0.000 1.006 106 S CA 0.508 58.727 58.200 0.031 0.000 0.934 106 S CB -0.109 63.106 63.200 0.026 0.000 0.778 106 S HN 0.548 nan 8.310 nan 0.000 0.517 107 K N 0.400 120.812 120.400 0.021 0.000 2.402 107 K HA 0.353 4.673 4.320 0.000 0.000 0.204 107 K C 0.047 176.656 176.600 0.015 0.000 1.056 107 K CA -0.005 56.292 56.287 0.016 0.000 1.069 107 K CB 0.985 33.492 32.500 0.012 0.000 0.888 107 K HN 0.253 nan 8.250 nan 0.000 0.546 108 S N 0.037 115.748 115.700 0.019 0.000 2.564 108 S HA 0.385 4.855 4.470 0.000 0.000 0.274 108 S C -1.618 172.997 174.600 0.025 0.000 1.124 108 S CA -0.708 57.502 58.200 0.017 0.000 0.869 108 S CB 1.758 64.966 63.200 0.013 0.000 1.105 108 S HN 0.251 nan 8.310 nan 0.000 0.472 109 C N 5.524 124.838 119.300 0.023 0.000 2.298 109 C HA 0.622 5.082 4.460 0.000 0.000 0.323 109 C C 0.225 175.231 174.990 0.027 0.000 1.284 109 C CA -0.638 58.401 59.018 0.034 0.000 1.577 109 C CB -0.582 27.177 27.740 0.031 0.000 2.249 109 C HN 0.850 nan 8.230 nan 0.000 0.497 110 L N 5.862 127.100 121.223 0.024 0.000 2.965 110 L HA 0.249 4.589 4.340 0.000 0.000 0.254 110 L C 2.035 178.915 176.870 0.016 0.000 1.220 110 L CA 0.539 55.384 54.840 0.008 0.000 1.023 110 L CB -0.601 41.444 42.059 -0.023 0.000 1.355 110 L HN 1.067 nan 8.230 nan 0.000 0.545 111 G N -0.182 108.653 108.800 0.058 0.000 2.479 111 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 111 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 111 G C 1.622 176.597 174.900 0.124 0.000 1.115 111 G CA 1.171 46.335 45.100 0.107 0.000 0.757 111 G HN 0.412 nan 8.290 nan 0.000 0.560 112 S N -0.283 115.477 115.700 0.100 0.000 2.489 112 S HA 0.140 4.610 4.470 0.000 0.000 0.228 112 S C 1.145 175.818 174.600 0.121 0.000 0.995 112 S CA -0.461 57.811 58.200 0.120 0.000 0.934 112 S CB -0.223 63.027 63.200 0.083 0.000 0.771 112 S HN 0.092 nan 8.310 nan 0.000 0.522 113 I N 2.780 123.399 120.570 0.081 0.000 2.598 113 I HA 0.028 4.198 4.170 0.000 0.000 0.284 113 I C 1.384 177.566 176.117 0.108 0.000 1.140 113 I CA 0.394 61.735 61.300 0.068 0.000 1.420 113 I CB 0.323 38.336 38.000 0.021 0.000 1.387 113 I HN 0.426 nan 8.210 nan 0.000 0.553 114 M N 5.457 125.133 119.600 0.128 0.000 2.123 114 M HA -0.051 4.429 4.480 0.000 0.000 0.263 114 M C 0.409 176.757 176.300 0.080 0.000 1.069 114 M CA 1.582 56.991 55.300 0.183 0.000 1.133 114 M CB 0.193 32.901 32.600 0.182 0.000 1.356 114 M HN 0.519 nan 8.290 nan 0.000 0.415 115 N N 1.204 119.905 118.700 0.002 0.000 2.886 115 N HA 0.334 5.074 4.740 0.000 0.000 0.285 115 N C -2.533 172.991 175.510 0.024 0.000 1.706 115 N CA -0.833 52.185 53.050 -0.053 0.000 0.904 115 N CB 0.464 38.844 38.487 -0.178 0.000 1.224 115 N HN 0.289 nan 8.380 nan 0.000 0.488 116 P HA 0.219 nan 4.420 nan 0.000 0.276 116 P C 0.610 177.937 177.300 0.044 0.000 1.252 116 P CA -0.339 62.767 63.100 0.009 0.000 0.802 116 P CB 2.019 33.680 31.700 -0.065 0.000 1.035 117 K N 0.325 120.733 120.400 0.014 0.000 2.147 117 K HA -0.099 4.221 4.320 0.000 0.000 0.205 117 K C 2.106 178.735 176.600 0.049 0.000 1.049 117 K CA 1.919 58.222 56.287 0.028 0.000 0.936 117 K CB -0.428 32.073 32.500 0.002 0.000 0.722 117 K HN 0.547 nan 8.250 nan 0.000 0.446 118 S N 0.715 116.419 115.700 0.008 0.000 2.442 118 S HA -0.103 4.367 4.470 0.000 0.000 0.236 118 S C 1.544 176.233 174.600 0.149 0.000 1.007 118 S CA 0.883 59.097 58.200 0.024 0.000 0.965 118 S CB -0.052 63.070 63.200 -0.131 0.000 0.773 118 S HN 0.083 nan 8.310 nan 0.000 0.504 119 L N 1.359 122.686 121.223 0.173 0.000 2.667 119 L HA 0.429 4.769 4.340 0.000 0.000 0.232 119 L C 0.147 177.290 176.870 0.455 0.000 1.138 119 L CA 0.469 55.484 54.840 0.291 0.000 0.921 119 L CB -0.073 42.095 42.059 0.182 0.000 1.180 119 L HN 0.239 nan 8.230 nan 0.000 0.487 120 T N -0.577 114.195 114.554 0.363 0.000 2.856 120 T HA 0.559 4.909 4.350 0.000 0.000 0.283 120 T C -0.384 174.351 174.700 0.058 0.000 1.008 120 T CA -0.520 61.742 62.100 0.270 0.000 0.997 120 T CB 2.413 71.382 68.868 0.169 0.000 0.992 120 T HN -0.179 nan 8.240 nan 0.000 0.454 121 R N 1.422 121.919 120.500 -0.005 0.000 2.467 121 R HA 0.576 4.916 4.340 0.000 0.000 0.299 121 R C 0.355 176.613 176.300 -0.070 0.000 1.120 121 R CA -0.389 55.608 56.100 -0.171 0.000 0.940 121 R CB 0.361 30.453 30.300 -0.347 0.000 1.161 121 R HN 0.862 nan 8.270 nan 0.000 0.506 122 G N 3.055 111.813 108.800 -0.070 0.000 2.553 122 G HA2 0.349 4.309 3.960 0.000 0.000 0.278 122 G HA3 0.349 4.309 3.960 0.000 0.000 0.278 122 G C -2.016 172.849 174.900 -0.060 0.000 1.349 122 G CA -0.982 44.082 45.100 -0.059 0.000 1.037 122 G HN 0.448 nan 8.290 nan 0.000 0.508 123 P HA 0.353 nan 4.420 nan 0.000 0.271 123 P C -0.309 176.963 177.300 -0.046 0.000 1.244 123 P CA -0.091 62.977 63.100 -0.053 0.000 0.793 123 P CB 0.614 32.279 31.700 -0.058 0.000 0.984 124 R N 0.450 120.925 120.500 -0.042 0.000 2.808 124 R HA 0.304 4.644 4.340 0.000 0.000 0.272 124 R C -0.143 176.131 176.300 -0.043 0.000 0.995 124 R CA -0.577 55.500 56.100 -0.039 0.000 0.917 124 R CB 1.724 32.003 30.300 -0.036 0.000 1.217 124 R HN 0.368 nan 8.270 nan 0.000 0.471 125 D N 0.569 120.946 120.400 -0.038 0.000 2.470 125 D HA 0.121 4.761 4.640 0.000 0.000 0.238 125 D C -0.381 175.897 176.300 -0.037 0.000 1.054 125 D CA 0.946 54.920 54.000 -0.042 0.000 0.896 125 D CB 0.844 41.623 40.800 -0.034 0.000 1.118 125 D HN 0.250 nan 8.370 nan 0.000 0.497 126 K N 0.560 120.944 120.400 -0.026 0.000 2.350 126 K HA 0.536 4.856 4.320 0.000 0.000 0.241 126 K C -2.695 173.898 176.600 -0.012 0.000 0.994 126 K CA -1.772 54.505 56.287 -0.016 0.000 0.839 126 K CB 1.886 34.380 32.500 -0.010 0.000 1.244 126 K HN -0.250 nan 8.250 nan 0.000 0.443 127 P HA -0.028 nan 4.420 nan 0.000 0.272 127 P C -0.599 176.703 177.300 0.003 0.000 1.230 127 P CA -0.310 62.792 63.100 0.002 0.000 0.788 127 P CB 0.524 32.232 31.700 0.013 0.000 0.949 128 T N 3.172 117.728 114.554 0.004 0.000 2.867 128 T HA 0.134 4.484 4.350 0.000 0.000 0.297 128 T C -1.999 172.712 174.700 0.018 0.000 0.989 128 T CA -1.323 60.784 62.100 0.012 0.000 1.159 128 T CB -0.642 68.241 68.868 0.024 0.000 0.928 128 T HN 0.219 nan 8.240 nan 0.000 0.538 129 P HA 0.005 nan 4.420 nan 0.000 0.268 129 P C 1.427 178.728 177.300 0.003 0.000 1.205 129 P CA -0.615 62.488 63.100 0.005 0.000 0.771 129 P CB 0.611 32.310 31.700 -0.002 0.000 0.858 130 L N 2.634 123.858 121.223 0.000 0.000 1.997 130 L HA -0.222 4.118 4.340 0.000 0.000 0.216 130 L C 2.547 179.400 176.870 -0.028 0.000 1.074 130 L CA 2.430 57.265 54.840 -0.007 0.000 0.763 130 L CB -1.150 40.905 42.059 -0.008 0.000 0.890 130 L HN 0.571 nan 8.230 nan 0.000 0.434 131 E N 0.615 120.795 120.200 -0.032 0.000 2.147 131 E HA -0.284 4.066 4.350 0.000 0.000 0.199 131 E C 1.526 178.075 176.600 -0.085 0.000 1.005 131 E CA 2.006 58.377 56.400 -0.049 0.000 0.810 131 E CB -0.446 29.232 29.700 -0.037 0.000 0.736 131 E HN 0.833 nan 8.360 nan 0.000 0.460 132 E N 0.374 120.523 120.200 -0.085 0.000 2.307 132 E HA 0.046 4.396 4.350 0.000 0.000 0.195 132 E C 2.455 178.927 176.600 -0.214 0.000 0.975 132 E CA -0.153 56.148 56.400 -0.165 0.000 0.878 132 E CB -0.270 29.387 29.700 -0.072 0.000 0.845 132 E HN 0.132 nan 8.360 nan 0.000 0.488 133 L N 1.173 122.366 121.223 -0.051 0.000 2.005 133 L HA -0.075 4.265 4.340 0.000 0.000 0.207 133 L C 2.378 179.251 176.870 0.005 0.000 1.072 133 L CA 1.268 56.132 54.840 0.040 0.000 0.744 133 L CB -0.548 41.554 42.059 0.072 0.000 0.895 133 L HN 0.304 nan 8.230 nan 0.000 0.433 134 L N 1.041 122.237 121.223 -0.045 0.000 2.013 134 L HA -0.126 4.214 4.340 0.000 0.000 0.212 134 L C -0.559 176.275 176.870 -0.060 0.000 1.073 134 L CA 2.132 56.932 54.840 -0.066 0.000 0.753 134 L CB -1.890 40.131 42.059 -0.063 0.000 0.890 134 L HN 0.114 nan 8.230 nan 0.000 0.432 135 P HA -0.131 nan 4.420 nan 0.000 0.218 135 P C 1.184 178.492 177.300 0.013 0.000 1.149 135 P CA 1.442 64.492 63.100 -0.085 0.000 0.817 135 P CB -0.160 31.437 31.700 -0.172 0.000 0.785 136 H N -0.706 118.401 119.070 0.062 0.000 2.357 136 H HA 0.079 4.635 4.556 0.000 0.000 0.301 136 H C 1.978 177.402 175.328 0.160 0.000 1.082 136 H CA 1.361 57.472 56.048 0.105 0.000 1.342 136 H CB -1.035 28.787 29.762 0.101 0.000 1.389 136 H HN 0.035 nan 8.280 nan 0.000 0.511 137 A N 0.989 123.949 122.820 0.233 0.000 1.877 137 A HA -0.109 4.211 4.320 0.000 0.000 0.216 137 A C 2.654 180.340 177.584 0.171 0.000 1.186 137 A CA 1.339 53.476 52.037 0.167 0.000 0.620 137 A CB -0.829 18.012 19.000 -0.266 0.000 0.822 137 A HN 0.293 nan 8.150 nan 0.000 0.443 138 I N -0.315 120.309 120.570 0.090 0.000 2.226 138 I HA -0.275 3.895 4.170 0.000 0.000 0.245 138 I C 2.558 178.762 176.117 0.146 0.000 1.100 138 I CA 1.839 63.195 61.300 0.093 0.000 1.374 138 I CB -0.296 37.731 38.000 0.045 0.000 1.057 138 I HN 0.532 nan 8.210 nan 0.000 0.413 139 E N 1.460 121.763 120.200 0.172 0.000 2.058 139 E HA -0.307 4.043 4.350 0.000 0.000 0.194 139 E C 2.075 178.803 176.600 0.213 0.000 0.997 139 E CA 1.765 58.273 56.400 0.180 0.000 0.801 139 E CB -0.612 29.211 29.700 0.204 0.000 0.746 139 E HN 0.427 nan 8.360 nan 0.000 0.450 140 F N 0.771 120.820 119.950 0.166 0.000 2.102 140 F HA -0.051 4.476 4.527 0.000 0.000 0.298 140 F C 2.012 177.933 175.800 0.202 0.000 1.105 140 F CA 1.707 59.824 58.000 0.195 0.000 1.239 140 F CB -0.419 38.712 39.000 0.219 0.000 0.991 140 F HN 0.082 nan 8.300 nan 0.000 0.474 141 I N 0.615 121.169 120.570 -0.026 0.000 2.264 141 I HA -0.351 3.819 4.170 0.000 0.000 0.248 141 I C 2.228 178.334 176.117 -0.018 0.000 1.111 141 I CA 1.485 62.764 61.300 -0.034 0.000 1.382 141 I CB -0.670 37.452 38.000 0.204 0.000 1.060 141 I HN 0.266 nan 8.210 nan 0.000 0.418 142 N N 0.327 119.051 118.700 0.040 0.000 2.188 142 N HA -0.239 4.501 4.740 0.000 0.000 0.184 142 N C 1.896 177.324 175.510 -0.136 0.000 1.018 142 N CA 1.165 54.235 53.050 0.032 0.000 0.858 142 N CB -0.131 38.449 38.487 0.155 0.000 0.989 142 N HN 0.509 nan 8.380 nan 0.000 0.426 143 Q N 0.148 119.878 119.800 -0.117 0.000 2.079 143 Q HA -0.200 4.140 4.340 0.000 0.000 0.200 143 Q C 2.019 177.809 176.000 -0.349 0.000 0.974 143 Q CA 1.168 56.907 55.803 -0.106 0.000 0.840 143 Q CB -0.158 28.625 28.738 0.074 0.000 0.898 143 Q HN 0.366 nan 8.270 nan 0.000 0.430 144 Y N 0.150 119.982 120.300 -0.779 0.000 2.070 144 Y HA -0.289 4.261 4.550 0.000 0.000 0.280 144 Y C 1.538 176.643 175.900 -1.325 0.000 1.148 144 Y CA 1.976 59.244 58.100 -1.388 0.000 1.125 144 Y CB -0.745 36.929 38.460 -1.310 0.000 0.975 144 Y HN 0.189 nan 8.280 nan 0.000 0.492 145 Y N -0.177 119.488 120.300 -1.058 0.000 2.497 145 Y HA 0.006 4.556 4.550 0.000 0.000 0.292 145 Y C 2.498 177.781 175.900 -1.028 0.000 1.137 145 Y CA 1.169 58.578 58.100 -1.152 0.000 1.285 145 Y CB -0.642 37.221 38.460 -0.995 0.000 0.991 145 Y HN 0.259 nan 8.280 nan 0.000 0.556 146 G N -1.624 106.791 108.800 -0.641 0.000 2.985 146 G HA2 -0.067 3.893 3.960 0.000 0.000 0.209 146 G HA3 -0.067 3.893 3.960 0.000 0.000 0.209 146 G C 1.545 176.188 174.900 -0.428 0.000 1.165 146 G CA 0.667 45.541 45.100 -0.378 0.000 0.776 146 G HN 0.433 nan 8.290 nan 0.000 0.541 147 S N 0.444 115.693 115.700 -0.751 0.000 2.439 147 S HA 0.216 4.686 4.470 0.000 0.000 0.224 147 S C 0.799 175.170 174.600 -0.382 0.000 1.029 147 S CA -0.406 57.493 58.200 -0.501 0.000 0.946 147 S CB -0.354 62.587 63.200 -0.432 0.000 0.797 147 S HN 0.177 nan 8.310 nan 0.000 0.504 148 F N 1.910 121.723 119.950 -0.227 0.000 2.418 148 F HA 0.580 5.107 4.527 0.000 0.000 0.341 148 F C 1.588 177.336 175.800 -0.086 0.000 1.120 148 F CA -1.833 56.077 58.000 -0.151 0.000 1.232 148 F CB 0.462 39.347 39.000 -0.191 0.000 1.175 148 F HN -0.098 nan 8.300 nan 0.000 0.569 149 K N 0.875 121.373 120.400 0.165 0.000 2.015 149 K HA -0.222 4.098 4.320 0.000 0.000 0.220 149 K C -0.218 176.438 176.600 0.094 0.000 1.055 149 K CA 2.244 58.585 56.287 0.091 0.000 0.951 149 K CB -0.185 32.350 32.500 0.058 0.000 0.725 149 K HN 0.899 nan 8.250 nan 0.000 0.449 150 E N 0.628 120.883 120.200 0.091 0.000 2.109 150 E HA 0.408 4.758 4.350 0.000 0.000 0.278 150 E C -1.059 175.613 176.600 0.120 0.000 0.954 150 E CA -0.601 55.840 56.400 0.067 0.000 0.779 150 E CB 1.697 31.405 29.700 0.015 0.000 1.093 150 E HN 0.304 nan 8.360 nan 0.000 0.401 151 A N 4.207 127.115 122.820 0.147 0.000 2.520 151 A HA 0.030 4.350 4.320 0.000 0.000 0.245 151 A C 0.029 177.699 177.584 0.143 0.000 1.072 151 A CA -0.225 51.942 52.037 0.217 0.000 0.761 151 A CB 0.087 19.184 19.000 0.162 0.000 1.004 151 A HN 0.598 nan 8.150 nan 0.000 0.499 152 K N 3.837 124.352 120.400 0.193 0.000 2.363 152 K HA 0.259 4.579 4.320 0.000 0.000 0.240 152 K C 0.514 177.181 176.600 0.112 0.000 1.169 152 K CA -0.126 56.210 56.287 0.081 0.000 1.131 152 K CB 0.166 32.661 32.500 -0.009 0.000 1.771 152 K HN 0.747 nan 8.250 nan 0.000 0.380 153 I N 0.651 121.267 120.570 0.077 0.000 2.151 153 I HA -0.371 3.799 4.170 0.000 0.000 0.243 153 I C 2.473 178.571 176.117 -0.032 0.000 1.080 153 I CA 1.572 62.893 61.300 0.034 0.000 1.339 153 I CB -0.140 37.864 38.000 0.007 0.000 1.039 153 I HN 0.603 nan 8.210 nan 0.000 0.409 154 E N 1.138 121.320 120.200 -0.030 0.000 2.077 154 E HA -0.246 4.104 4.350 0.000 0.000 0.193 154 E C 2.053 178.614 176.600 -0.065 0.000 0.989 154 E CA 1.381 57.754 56.400 -0.047 0.000 0.800 154 E CB 0.052 29.735 29.700 -0.028 0.000 0.746 154 E HN 0.517 nan 8.360 nan 0.000 0.452 155 E N -0.737 119.430 120.200 -0.055 0.000 2.106 155 E HA -0.204 4.146 4.350 0.000 0.000 0.192 155 E C 2.000 178.402 176.600 -0.330 0.000 0.984 155 E CA 0.936 57.296 56.400 -0.067 0.000 0.806 155 E CB -0.230 29.517 29.700 0.078 0.000 0.750 155 E HN 0.478 nan 8.360 nan 0.000 0.458 156 H N 0.868 119.507 119.070 -0.719 0.000 2.290 156 H HA -0.113 4.443 4.556 0.000 0.000 0.298 156 H C 2.196 177.216 175.328 -0.514 0.000 1.087 156 H CA 1.206 56.565 56.048 -1.149 0.000 1.291 156 H CB 0.076 29.469 29.762 -0.614 0.000 1.369 156 H HN 0.058 nan 8.280 nan 0.000 0.492 157 L N 0.274 121.360 121.223 -0.228 0.000 2.083 157 L HA -0.148 4.192 4.340 0.000 0.000 0.209 157 L C 3.042 179.850 176.870 -0.103 0.000 1.083 157 L CA 0.862 55.587 54.840 -0.191 0.000 0.752 157 L CB -0.504 41.455 42.059 -0.167 0.000 0.899 157 L HN 0.398 nan 8.230 nan 0.000 0.433 158 A N 0.187 122.957 122.820 -0.084 0.000 1.877 158 A HA -0.239 4.081 4.320 0.000 0.000 0.216 158 A C 2.385 179.971 177.584 0.004 0.000 1.186 158 A CA 1.815 53.833 52.037 -0.031 0.000 0.620 158 A CB -0.461 18.532 19.000 -0.012 0.000 0.822 158 A HN 0.268 nan 8.150 nan 0.000 0.443 159 R N -0.036 120.471 120.500 0.012 0.000 2.075 159 R HA 0.024 4.365 4.340 0.000 0.000 0.232 159 R C 1.925 178.280 176.300 0.092 0.000 1.126 159 R CA 1.481 57.645 56.100 0.107 0.000 0.963 159 R CB -0.872 29.583 30.300 0.257 0.000 0.858 159 R HN 0.518 nan 8.270 nan 0.000 0.435 160 L N 0.202 121.461 121.223 0.060 0.000 2.012 160 L HA -0.200 4.140 4.340 0.000 0.000 0.210 160 L C 2.560 179.434 176.870 0.007 0.000 1.073 160 L CA 2.107 56.975 54.840 0.046 0.000 0.748 160 L CB -0.547 41.520 42.059 0.013 0.000 0.891 160 L HN 0.411 nan 8.230 nan 0.000 0.431 161 E N 0.085 120.281 120.200 -0.007 0.000 2.051 161 E HA -0.248 4.102 4.350 0.000 0.000 0.192 161 E C 2.209 178.810 176.600 0.002 0.000 0.991 161 E CA 1.226 57.619 56.400 -0.011 0.000 0.799 161 E CB -0.042 29.648 29.700 -0.017 0.000 0.748 161 E HN 0.443 nan 8.360 nan 0.000 0.449 162 A N 0.542 123.374 122.820 0.020 0.000 1.883 162 A HA -0.156 4.164 4.320 0.000 0.000 0.217 162 A C 2.427 180.031 177.584 0.033 0.000 1.186 162 A CA 1.652 53.711 52.037 0.036 0.000 0.624 162 A CB -0.765 18.271 19.000 0.060 0.000 0.822 162 A HN 0.245 nan 8.150 nan 0.000 0.444 163 V N -0.378 119.552 119.914 0.026 0.000 2.358 163 V HA -0.214 3.906 4.120 0.000 0.000 0.246 163 V C 2.724 178.757 176.094 -0.101 0.000 1.047 163 V CA 2.410 64.687 62.300 -0.039 0.000 1.035 163 V CB -1.272 30.490 31.823 -0.101 0.000 0.658 163 V HN 0.605 nan 8.190 nan 0.000 0.452 164 T N -0.285 114.226 114.554 -0.071 0.000 2.720 164 T HA -0.228 4.122 4.350 0.000 0.000 0.268 164 T C 1.941 176.618 174.700 -0.039 0.000 1.037 164 T CA 1.637 63.697 62.100 -0.066 0.000 1.144 164 T CB -0.207 68.636 68.868 -0.043 0.000 0.864 164 T HN 0.483 nan 8.240 nan 0.000 0.444 165 K N 0.641 121.031 120.400 -0.017 0.000 2.057 165 K HA -0.056 4.264 4.320 0.000 0.000 0.206 165 K C 2.437 179.044 176.600 0.011 0.000 1.050 165 K CA 1.050 57.336 56.287 -0.001 0.000 0.935 165 K CB -0.103 32.401 32.500 0.006 0.000 0.715 165 K HN 0.425 nan 8.250 nan 0.000 0.439 166 E N 1.261 121.474 120.200 0.022 0.000 2.058 166 E HA -0.197 4.153 4.350 0.000 0.000 0.194 166 E C 1.979 178.609 176.600 0.051 0.000 0.997 166 E CA 1.147 57.579 56.400 0.052 0.000 0.801 166 E CB -0.014 29.744 29.700 0.097 0.000 0.746 166 E HN 0.216 nan 8.360 nan 0.000 0.450 167 I N 0.904 121.487 120.570 0.022 0.000 2.208 167 I HA -0.273 3.897 4.170 0.000 0.000 0.245 167 I C 2.227 178.353 176.117 0.016 0.000 1.097 167 I CA 1.436 62.748 61.300 0.022 0.000 1.363 167 I CB -0.279 37.691 38.000 -0.050 0.000 1.051 167 I HN 0.177 nan 8.210 nan 0.000 0.413 168 E N 0.089 120.290 120.200 0.001 0.000 2.150 168 E HA -0.180 4.170 4.350 0.000 0.000 0.193 168 E C 2.126 178.733 176.600 0.011 0.000 0.985 168 E CA 1.866 58.267 56.400 0.002 0.000 0.814 168 E CB -0.067 29.630 29.700 -0.006 0.000 0.752 168 E HN 0.624 nan 8.360 nan 0.000 0.466 169 T N -2.011 112.554 114.554 0.018 0.000 2.976 169 T HA -0.047 4.303 4.350 0.000 0.000 0.257 169 T C 2.090 176.807 174.700 0.028 0.000 1.051 169 T CA 1.222 63.335 62.100 0.021 0.000 1.141 169 T CB -0.109 68.772 68.868 0.022 0.000 0.881 169 T HN 0.177 nan 8.240 nan 0.000 0.461 170 T N -2.883 111.694 114.554 0.038 0.000 2.985 170 T HA 0.544 4.894 4.350 0.000 0.000 0.254 170 T C 1.921 176.648 174.700 0.046 0.000 1.021 170 T CA 0.699 62.825 62.100 0.043 0.000 0.957 170 T CB 0.087 68.987 68.868 0.054 0.000 1.047 170 T HN 0.860 nan 8.240 nan 0.000 0.511 171 G N 0.299 109.127 108.800 0.047 0.000 2.241 171 G HA2 -0.210 3.750 3.960 0.000 0.000 0.244 171 G HA3 -0.210 3.750 3.960 0.000 0.000 0.244 171 G C 0.238 175.181 174.900 0.071 0.000 0.998 171 G CA 0.521 45.649 45.100 0.047 0.000 0.621 171 G HN 0.991 nan 8.290 nan 0.000 0.519 172 T N -1.288 113.327 114.554 0.101 0.000 2.647 172 T HA 0.718 5.068 4.350 0.000 0.000 0.295 172 T C -1.479 173.379 174.700 0.263 0.000 1.126 172 T CA 0.524 62.721 62.100 0.162 0.000 1.040 172 T CB 1.498 70.410 68.868 0.073 0.000 1.472 172 T HN 1.652 nan 8.240 nan 0.000 0.500 173 Y N -0.619 119.686 120.300 0.009 0.000 2.689 173 Y HA 0.785 5.336 4.550 0.000 0.000 0.333 173 Y C -1.641 174.272 175.900 0.021 0.000 1.208 173 Y CA -1.204 56.911 58.100 0.025 0.000 1.055 173 Y CB 0.778 39.266 38.460 0.046 0.000 1.304 173 Y HN 0.441 nan 8.280 nan 0.000 0.455 174 Q N 1.991 121.767 119.800 -0.039 0.000 2.342 174 Q HA 0.485 4.825 4.340 0.000 0.000 0.267 174 Q C -1.007 174.944 176.000 -0.082 0.000 1.038 174 Q CA -0.948 54.777 55.803 -0.129 0.000 0.832 174 Q CB 2.888 31.620 28.738 -0.011 0.000 1.323 174 Q HN 0.660 nan 8.270 nan 0.000 0.448 175 L N 1.437 122.594 121.223 -0.109 0.000 2.421 175 L HA 0.395 4.735 4.340 0.000 0.000 0.263 175 L C 1.056 177.939 176.870 0.022 0.000 1.122 175 L CA -0.091 54.747 54.840 -0.003 0.000 0.804 175 L CB 0.579 42.621 42.059 -0.028 0.000 1.150 175 L HN 0.735 nan 8.230 nan 0.000 0.457 176 T N -1.438 113.133 114.554 0.027 0.000 2.899 176 T HA 0.213 4.563 4.350 0.000 0.000 0.284 176 T C 1.333 176.021 174.700 -0.019 0.000 1.004 176 T CA -0.719 61.386 62.100 0.009 0.000 1.043 176 T CB 1.208 70.083 68.868 0.012 0.000 1.013 176 T HN 0.475 nan 8.240 nan 0.000 0.518 177 L N 0.528 121.742 121.223 -0.015 0.000 2.043 177 L HA -0.143 4.197 4.340 0.000 0.000 0.212 177 L C 2.035 178.895 176.870 -0.018 0.000 1.075 177 L CA 2.217 57.039 54.840 -0.030 0.000 0.752 177 L CB -1.107 40.937 42.059 -0.024 0.000 0.891 177 L HN 0.874 nan 8.230 nan 0.000 0.432 178 D N -0.230 120.171 120.400 0.001 0.000 2.144 178 D HA -0.217 4.423 4.640 0.000 0.000 0.199 178 D C 1.938 178.244 176.300 0.010 0.000 0.984 178 D CA 1.259 55.287 54.000 0.046 0.000 0.834 178 D CB 0.306 41.166 40.800 0.099 0.000 0.955 178 D HN 0.546 nan 8.370 nan 0.000 0.465 179 E N -0.102 119.994 120.200 -0.173 0.000 2.072 179 E HA -0.140 4.210 4.350 0.000 0.000 0.190 179 E C 2.053 178.752 176.600 0.165 0.000 0.982 179 E CA 0.189 56.453 56.400 -0.227 0.000 0.803 179 E CB 0.023 29.614 29.700 -0.183 0.000 0.755 179 E HN 0.119 nan 8.360 nan 0.000 0.453 180 L N 0.878 122.119 121.223 0.031 0.000 2.017 180 L HA -0.174 4.166 4.340 0.000 0.000 0.208 180 L C 1.924 178.783 176.870 -0.018 0.000 1.073 180 L CA 1.441 56.249 54.840 -0.053 0.000 0.745 180 L CB -0.298 41.674 42.059 -0.145 0.000 0.894 180 L HN 0.052 nan 8.230 nan 0.000 0.432 181 I N -0.758 119.827 120.570 0.024 0.000 2.091 181 I HA -0.327 3.843 4.170 0.000 0.000 0.239 181 I C 2.345 178.545 176.117 0.139 0.000 1.061 181 I CA 1.868 63.192 61.300 0.039 0.000 1.317 181 I CB -0.945 37.088 38.000 0.055 0.000 1.031 181 I HN 0.351 nan 8.210 nan 0.000 0.401 182 F N 1.315 121.332 119.950 0.112 0.000 2.120 182 F HA -0.316 4.211 4.527 0.000 0.000 0.300 182 F C 2.360 178.283 175.800 0.205 0.000 1.095 182 F CA 1.748 59.869 58.000 0.201 0.000 1.249 182 F CB -0.547 38.636 39.000 0.306 0.000 0.995 182 F HN 0.063 nan 8.300 nan 0.000 0.480 183 A N -0.115 122.817 122.820 0.187 0.000 1.902 183 A HA -0.192 4.128 4.320 0.000 0.000 0.217 183 A C 2.280 179.776 177.584 -0.147 0.000 1.181 183 A CA 2.497 54.531 52.037 -0.005 0.000 0.623 183 A CB -1.639 17.302 19.000 -0.098 0.000 0.818 183 A HN 0.552 nan 8.150 nan 0.000 0.443 184 T N -1.765 112.730 114.554 -0.099 0.000 2.788 184 T HA -0.132 4.218 4.350 0.000 0.000 0.268 184 T C 1.824 176.557 174.700 0.055 0.000 1.044 184 T CA 1.639 63.707 62.100 -0.055 0.000 1.139 184 T CB -0.289 68.551 68.868 -0.047 0.000 0.867 184 T HN 0.515 nan 8.240 nan 0.000 0.454 185 K N 0.141 120.589 120.400 0.080 0.000 2.057 185 K HA 0.100 4.420 4.320 0.000 0.000 0.206 185 K C 2.553 179.260 176.600 0.178 0.000 1.050 185 K CA 1.209 57.647 56.287 0.251 0.000 0.935 185 K CB -0.206 32.442 32.500 0.247 0.000 0.715 185 K HN 0.238 nan 8.250 nan 0.000 0.439 186 M N 0.445 119.967 119.600 -0.129 0.000 2.132 186 M HA -0.082 4.398 4.480 0.000 0.000 0.263 186 M C 2.448 178.614 176.300 -0.223 0.000 1.065 186 M CA 1.399 56.522 55.300 -0.294 0.000 1.122 186 M CB -1.044 31.259 32.600 -0.494 0.000 1.365 186 M HN 0.152 nan 8.290 nan 0.000 0.411 187 A N -0.657 122.002 122.820 -0.268 0.000 1.986 187 A HA -0.225 4.095 4.320 0.000 0.000 0.220 187 A C 2.010 179.441 177.584 -0.255 0.000 1.171 187 A CA 1.582 53.322 52.037 -0.495 0.000 0.640 187 A CB -1.083 17.241 19.000 -1.126 0.000 0.811 187 A HN 0.692 nan 8.150 nan 0.000 0.451 188 W N 0.615 121.819 121.300 -0.159 0.000 2.407 188 W HA -0.043 4.617 4.660 0.000 0.000 0.305 188 W C 2.319 178.765 176.519 -0.121 0.000 1.196 188 W CA 1.268 58.584 57.345 -0.048 0.000 1.311 188 W CB -0.728 28.722 29.460 -0.017 0.000 1.135 188 W HN 0.347 nan 8.180 nan 0.000 0.514 189 R N 0.362 120.794 120.500 -0.113 0.000 2.105 189 R HA -0.187 4.153 4.340 0.000 0.000 0.239 189 R C 1.406 177.556 176.300 -0.250 0.000 1.135 189 R CA 1.818 57.682 56.100 -0.392 0.000 0.967 189 R CB -0.495 29.365 30.300 -0.733 0.000 0.861 189 R HN 0.072 nan 8.270 nan 0.000 0.442 190 N N 0.053 118.642 118.700 -0.186 0.000 2.398 190 N HA 0.035 4.775 4.740 0.000 0.000 0.188 190 N C -0.641 174.806 175.510 -0.106 0.000 1.122 190 N CA 0.504 53.481 53.050 -0.121 0.000 0.866 190 N CB 0.773 39.232 38.487 -0.047 0.000 0.970 190 N HN 0.152 nan 8.380 nan 0.000 0.462 191 A N 2.320 125.056 122.820 -0.139 0.000 2.437 191 A HA 0.245 4.565 4.320 0.000 0.000 0.303 191 A C -1.041 176.475 177.584 -0.114 0.000 1.324 191 A CA -1.124 50.784 52.037 -0.215 0.000 0.983 191 A CB 0.492 19.415 19.000 -0.129 0.000 1.142 191 A HN 0.000 nan 8.150 nan 0.000 0.541 192 P HA -0.147 nan 4.420 nan 0.000 0.222 192 P C 0.842 178.096 177.300 -0.077 0.000 1.147 192 P CA 1.018 64.075 63.100 -0.073 0.000 0.790 192 P CB 0.215 31.878 31.700 -0.062 0.000 0.780 193 R N -1.427 118.994 120.500 -0.132 0.000 2.317 193 R HA 0.145 4.485 4.340 0.000 0.000 0.208 193 R C 0.518 176.831 176.300 0.022 0.000 0.914 193 R CA -0.180 55.866 56.100 -0.089 0.000 1.060 193 R CB -0.280 29.764 30.300 -0.426 0.000 1.015 193 R HN 0.168 nan 8.270 nan 0.000 0.498 194 C N 0.429 119.709 119.300 -0.033 0.000 2.273 194 C HA 0.340 4.800 4.460 0.000 0.000 0.328 194 C C 1.698 176.631 174.990 -0.095 0.000 1.275 194 C CA -0.852 58.170 59.018 0.006 0.000 1.704 194 C CB -0.281 27.521 27.740 0.104 0.000 2.326 194 C HN 0.555 nan 8.230 nan 0.000 0.517 195 I N 4.148 124.643 120.570 -0.125 0.000 3.059 195 I HA 0.177 4.347 4.170 0.000 0.000 0.270 195 I C 1.901 178.039 176.117 0.034 0.000 1.238 195 I CA 1.150 62.309 61.300 -0.234 0.000 1.478 195 I CB 0.122 38.011 38.000 -0.185 0.000 1.097 195 I HN 0.924 nan 8.210 nan 0.000 0.455 196 G N 0.573 109.408 108.800 0.059 0.000 3.233 196 G HA2 -0.000 3.960 3.960 0.000 0.000 0.227 196 G HA3 -0.000 3.960 3.960 0.000 0.000 0.227 196 G C 1.207 176.086 174.900 -0.035 0.000 1.175 196 G CA -0.369 44.765 45.100 0.057 0.000 0.781 196 G HN 0.267 nan 8.290 nan 0.000 0.542 197 R N 0.076 120.500 120.500 -0.127 0.000 2.303 197 R HA -0.034 4.306 4.340 0.000 0.000 0.225 197 R C 1.901 177.661 176.300 -0.899 0.000 1.114 197 R CA 0.407 56.138 56.100 -0.616 0.000 1.007 197 R CB -0.446 29.577 30.300 -0.461 0.000 0.861 197 R HN 0.487 nan 8.270 nan 0.000 0.471 198 I N 1.115 121.332 120.570 -0.589 0.000 2.614 198 I HA -0.200 3.970 4.170 0.000 0.000 0.258 198 I C 1.528 177.503 176.117 -0.237 0.000 1.189 198 I CA 1.125 62.227 61.300 -0.329 0.000 1.462 198 I CB 0.142 38.120 38.000 -0.038 0.000 1.092 198 I HN 0.084 nan 8.210 nan 0.000 0.442 199 Q N 0.571 120.162 119.800 -0.349 0.000 2.403 199 Q HA -0.096 4.244 4.340 0.000 0.000 0.203 199 Q C 1.557 177.076 176.000 -0.801 0.000 0.932 199 Q CA 0.275 55.873 55.803 -0.342 0.000 0.945 199 Q CB -0.178 28.517 28.738 -0.071 0.000 1.045 199 Q HN 0.772 nan 8.270 nan 0.000 0.511 200 W N 0.991 121.511 121.300 -1.299 0.000 2.313 200 W HA -0.227 4.433 4.660 0.000 0.000 0.293 200 W C 1.166 177.406 176.519 -0.465 0.000 1.216 200 W CA 1.601 58.087 57.345 -1.431 0.000 1.223 200 W CB -1.260 27.583 29.460 -1.028 0.000 1.138 200 W HN 0.179 nan 8.180 nan 0.000 0.535 201 S N 0.109 115.030 115.700 -1.298 0.000 2.558 201 S HA 0.033 4.503 4.470 0.000 0.000 0.217 201 S C 0.592 174.969 174.600 -0.371 0.000 0.975 201 S CA -0.070 57.532 58.200 -0.996 0.000 0.912 201 S CB -0.771 61.669 63.200 -1.266 0.000 0.776 201 S HN 0.199 nan 8.310 nan 0.000 0.526 202 N N 1.854 120.436 118.700 -0.198 0.000 2.918 202 N HA 0.404 5.144 4.740 0.000 0.000 0.247 202 N C -1.506 174.104 175.510 0.167 0.000 1.117 202 N CA -0.113 52.939 53.050 0.004 0.000 1.005 202 N CB 1.125 39.644 38.487 0.054 0.000 1.297 202 N HN 0.302 nan 8.380 nan 0.000 0.513 203 L N 1.977 123.259 121.223 0.099 0.000 2.476 203 L HA 0.268 4.608 4.340 0.000 0.000 0.269 203 L C -0.674 176.152 176.870 -0.074 0.000 0.965 203 L CA -0.661 54.219 54.840 0.067 0.000 0.845 203 L CB 2.082 44.222 42.059 0.135 0.000 1.259 203 L HN 0.185 nan 8.230 nan 0.000 0.403 204 Q N 3.104 122.815 119.800 -0.149 0.000 2.286 204 Q HA 0.586 4.926 4.340 0.000 0.000 0.257 204 Q C -1.627 174.010 176.000 -0.606 0.000 0.941 204 Q CA -0.094 55.471 55.803 -0.396 0.000 0.912 204 Q CB 1.424 29.861 28.738 -0.501 0.000 1.192 204 Q HN 0.524 nan 8.270 nan 0.000 0.410 205 V N 5.785 125.320 119.914 -0.632 0.000 2.384 205 V HA 0.444 4.564 4.120 0.000 0.000 0.287 205 V C -0.919 174.755 176.094 -0.700 0.000 1.020 205 V CA -0.600 61.361 62.300 -0.565 0.000 0.850 205 V CB 0.815 32.453 31.823 -0.309 0.000 0.987 205 V HN 0.664 nan 8.190 nan 0.000 0.436 206 F N 2.570 122.307 119.950 -0.356 0.000 2.361 206 F HA 0.388 4.915 4.527 0.000 0.000 0.364 206 F C 0.409 175.971 175.800 -0.397 0.000 1.117 206 F CA -1.261 56.520 58.000 -0.365 0.000 1.071 206 F CB 1.135 39.886 39.000 -0.414 0.000 1.188 206 F HN 0.436 nan 8.300 nan 0.000 0.464 207 D N 3.336 123.651 120.400 -0.142 0.000 2.422 207 D HA 0.378 5.018 4.640 0.000 0.000 0.227 207 D C 0.138 176.262 176.300 -0.295 0.000 1.190 207 D CA 0.106 53.976 54.000 -0.217 0.000 0.905 207 D CB 0.847 41.563 40.800 -0.139 0.000 1.034 207 D HN 0.576 nan 8.370 nan 0.000 0.507 208 A N 4.528 127.046 122.820 -0.503 0.000 2.827 208 A HA 0.182 4.502 4.320 0.000 0.000 0.300 208 A C 1.614 179.000 177.584 -0.330 0.000 1.237 208 A CA -0.431 51.207 52.037 -0.665 0.000 0.964 208 A CB -0.027 18.142 19.000 -1.385 0.000 1.143 208 A HN 0.517 nan 8.150 nan 0.000 0.554 209 R N 0.605 120.984 120.500 -0.203 0.000 2.235 209 R HA -0.081 4.259 4.340 0.000 0.000 0.213 209 R C 1.127 177.374 176.300 -0.088 0.000 1.059 209 R CA 1.424 57.460 56.100 -0.107 0.000 0.997 209 R CB -0.129 30.148 30.300 -0.039 0.000 0.884 209 R HN 0.891 nan 8.270 nan 0.000 0.462 210 N N -0.661 118.008 118.700 -0.052 0.000 2.268 210 N HA 0.012 4.752 4.740 0.000 0.000 0.204 210 N C 0.102 175.643 175.510 0.052 0.000 1.124 210 N CA -0.498 52.553 53.050 0.002 0.000 0.838 210 N CB 0.264 38.766 38.487 0.024 0.000 0.994 210 N HN -0.020 nan 8.380 nan 0.000 0.489 211 C N 1.564 120.895 119.300 0.052 0.000 2.644 211 C HA 0.302 4.762 4.460 0.000 0.000 0.417 211 C C 1.795 176.909 174.990 0.206 0.000 1.304 211 C CA 0.146 59.278 59.018 0.190 0.000 2.035 211 C CB 0.585 28.521 27.740 0.327 0.000 2.673 211 C HN 0.606 nan 8.230 nan 0.000 0.602 212 S N 1.957 117.843 115.700 0.311 0.000 2.651 212 S HA 0.217 4.687 4.470 0.000 0.000 0.259 212 S C 0.298 175.082 174.600 0.307 0.000 1.073 212 S CA 0.431 58.855 58.200 0.375 0.000 1.090 212 S CB -0.157 63.168 63.200 0.208 0.000 1.042 212 S HN 1.036 nan 8.310 nan 0.000 0.581 213 T N -1.687 113.012 114.554 0.242 0.000 2.907 213 T HA 0.845 5.195 4.350 0.000 0.000 0.290 213 T C 1.210 175.979 174.700 0.114 0.000 1.066 213 T CA -0.213 61.967 62.100 0.132 0.000 1.012 213 T CB 1.383 70.315 68.868 0.105 0.000 1.184 213 T HN 0.206 nan 8.240 nan 0.000 0.522 214 A N 0.174 123.032 122.820 0.063 0.000 1.933 214 A HA -0.061 4.259 4.320 0.000 0.000 0.218 214 A C 2.322 179.877 177.584 -0.049 0.000 1.175 214 A CA 1.188 53.250 52.037 0.041 0.000 0.628 214 A CB -1.003 18.110 19.000 0.188 0.000 0.814 214 A HN 0.763 nan 8.150 nan 0.000 0.444 215 Q N -0.118 119.734 119.800 0.087 0.000 2.084 215 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 215 Q C 1.906 177.937 176.000 0.053 0.000 0.978 215 Q CA 1.804 57.653 55.803 0.076 0.000 0.844 215 Q CB -0.277 28.561 28.738 0.167 0.000 0.898 215 Q HN 0.819 nan 8.270 nan 0.000 0.426 216 E N -0.370 119.881 120.200 0.084 0.000 2.072 216 E HA -0.138 4.212 4.350 0.000 0.000 0.191 216 E C 2.132 178.838 176.600 0.176 0.000 0.985 216 E CA 0.833 57.294 56.400 0.102 0.000 0.801 216 E CB -0.078 29.726 29.700 0.173 0.000 0.750 216 E HN 0.333 nan 8.360 nan 0.000 0.452 217 M N 0.040 119.743 119.600 0.172 0.000 2.086 217 M HA -0.165 4.315 4.480 0.000 0.000 0.261 217 M C 2.262 178.622 176.300 0.099 0.000 1.067 217 M CA 1.345 56.735 55.300 0.151 0.000 1.116 217 M CB -0.320 32.188 32.600 -0.153 0.000 1.348 217 M HN 0.120 nan 8.290 nan 0.000 0.407 218 F N 1.353 121.127 119.950 -0.295 0.000 2.126 218 F HA -0.261 4.266 4.527 0.000 0.000 0.299 218 F C 2.268 177.965 175.800 -0.173 0.000 1.096 218 F CA 1.818 59.576 58.000 -0.402 0.000 1.255 218 F CB -0.419 38.005 39.000 -0.961 0.000 0.997 218 F HN 0.177 nan 8.300 nan 0.000 0.479 219 Q N -1.201 118.464 119.800 -0.224 0.000 2.119 219 Q HA -0.194 4.146 4.340 0.000 0.000 0.201 219 Q C 2.048 177.896 176.000 -0.252 0.000 0.972 219 Q CA 1.854 57.472 55.803 -0.308 0.000 0.847 219 Q CB -0.434 28.182 28.738 -0.202 0.000 0.903 219 Q HN 0.598 nan 8.270 nan 0.000 0.433 220 H N 0.129 119.162 119.070 -0.062 0.000 2.353 220 H HA -0.065 4.491 4.556 0.000 0.000 0.300 220 H C 1.948 177.240 175.328 -0.059 0.000 1.090 220 H CA 1.312 57.330 56.048 -0.050 0.000 1.327 220 H CB 0.149 29.973 29.762 0.103 0.000 1.383 220 H HN 0.144 nan 8.280 nan 0.000 0.508 221 I N -0.435 120.226 120.570 0.151 0.000 2.361 221 I HA -0.315 3.855 4.170 0.000 0.000 0.251 221 I C 2.076 178.142 176.117 -0.085 0.000 1.133 221 I CA 0.614 61.964 61.300 0.083 0.000 1.413 221 I CB -0.138 37.906 38.000 0.073 0.000 1.073 221 I HN 0.435 nan 8.210 nan 0.000 0.424 222 C N 0.179 119.325 119.300 -0.256 0.000 2.440 222 C HA -0.121 4.339 4.460 0.000 0.000 0.278 222 C C 2.959 177.845 174.990 -0.175 0.000 1.295 222 C CA 0.743 59.585 59.018 -0.293 0.000 1.738 222 C CB -1.096 26.352 27.740 -0.487 0.000 1.987 222 C HN 0.474 nan 8.230 nan 0.000 0.492 223 R N -0.006 120.385 120.500 -0.182 0.000 2.092 223 R HA -0.147 4.193 4.340 0.000 0.000 0.231 223 R C 2.211 178.418 176.300 -0.155 0.000 1.119 223 R CA 1.636 57.616 56.100 -0.200 0.000 0.970 223 R CB -0.654 29.455 30.300 -0.317 0.000 0.864 223 R HN 0.763 nan 8.270 nan 0.000 0.440 224 H N 0.170 119.083 119.070 -0.261 0.000 2.270 224 H HA -0.105 4.451 4.556 0.000 0.000 0.299 224 H C 2.161 177.527 175.328 0.064 0.000 1.077 224 H CA 1.993 57.982 56.048 -0.099 0.000 1.294 224 H CB -0.046 29.703 29.762 -0.021 0.000 1.371 224 H HN 0.180 nan 8.280 nan 0.000 0.491 225 I N 0.786 121.360 120.570 0.006 0.000 2.151 225 I HA -0.335 3.835 4.170 0.000 0.000 0.243 225 I C 2.806 178.936 176.117 0.022 0.000 1.080 225 I CA 1.217 62.477 61.300 -0.068 0.000 1.339 225 I CB -0.331 37.610 38.000 -0.099 0.000 1.039 225 I HN 0.387 nan 8.210 nan 0.000 0.409 226 L N -0.191 121.049 121.223 0.027 0.000 1.994 226 L HA -0.294 4.046 4.340 0.000 0.000 0.208 226 L C 2.767 179.691 176.870 0.089 0.000 1.071 226 L CA 1.718 56.579 54.840 0.035 0.000 0.745 226 L CB -0.478 41.585 42.059 0.007 0.000 0.892 226 L HN 0.234 nan 8.230 nan 0.000 0.431 227 Y N 0.313 120.653 120.300 0.067 0.000 2.145 227 Y HA -0.259 4.291 4.550 0.000 0.000 0.286 227 Y C 2.341 178.352 175.900 0.185 0.000 1.145 227 Y CA 1.749 59.939 58.100 0.150 0.000 1.148 227 Y CB -0.458 38.165 38.460 0.272 0.000 0.981 227 Y HN 0.243 nan 8.280 nan 0.000 0.507 228 A N -0.727 122.283 122.820 0.317 0.000 1.930 228 A HA -0.141 4.179 4.320 0.000 0.000 0.217 228 A C 2.197 179.817 177.584 0.061 0.000 1.175 228 A CA 2.106 54.276 52.037 0.222 0.000 0.627 228 A CB -1.262 17.935 19.000 0.327 0.000 0.815 228 A HN 0.526 nan 8.150 nan 0.000 0.443 229 T N -0.205 114.373 114.554 0.041 0.000 2.737 229 T HA -0.115 4.235 4.350 0.000 0.000 0.265 229 T C 1.169 175.862 174.700 -0.012 0.000 1.038 229 T CA 1.363 63.480 62.100 0.029 0.000 1.144 229 T CB -0.389 68.492 68.868 0.021 0.000 0.866 229 T HN 0.652 nan 8.240 nan 0.000 0.434 230 N N 1.806 120.470 118.700 -0.059 0.000 2.710 230 N HA -0.275 4.465 4.740 0.000 0.000 0.249 230 N C -0.011 175.470 175.510 -0.048 0.000 1.059 230 N CA 1.007 54.004 53.050 -0.089 0.000 0.720 230 N CB -2.174 36.221 38.487 -0.154 0.000 0.983 230 N HN 0.685 nan 8.380 nan 0.000 0.544 231 N N -1.850 116.834 118.700 -0.027 0.000 2.756 231 N HA -0.211 4.529 4.740 0.000 0.000 0.248 231 N C 0.894 176.391 175.510 -0.022 0.000 1.062 231 N CA 1.169 54.205 53.050 -0.022 0.000 0.696 231 N CB -1.305 37.167 38.487 -0.025 0.000 0.946 231 N HN 1.123 nan 8.380 nan 0.000 0.548 232 G N 0.580 109.375 108.800 -0.008 0.000 2.336 232 G HA2 -0.355 3.605 3.960 0.000 0.000 0.233 232 G HA3 -0.355 3.605 3.960 0.000 0.000 0.233 232 G C -0.015 174.889 174.900 0.006 0.000 1.053 232 G CA 0.409 45.510 45.100 0.001 0.000 0.625 232 G HN 0.646 nan 8.290 nan 0.000 0.511 233 N N 1.867 120.554 118.700 -0.022 0.000 2.895 233 N HA 0.312 5.052 4.740 0.000 0.000 0.277 233 N C 0.668 176.163 175.510 -0.025 0.000 1.185 233 N CA -0.709 52.313 53.050 -0.045 0.000 1.106 233 N CB -0.222 38.230 38.487 -0.058 0.000 1.422 233 N HN 0.250 nan 8.380 nan 0.000 0.521 234 I N 2.202 122.789 120.570 0.029 0.000 2.906 234 I HA -0.121 4.050 4.170 0.000 0.000 0.302 234 I C 0.779 177.015 176.117 0.199 0.000 1.220 234 I CA 1.064 62.446 61.300 0.137 0.000 1.441 234 I CB -0.210 37.957 38.000 0.279 0.000 1.336 234 I HN 0.393 nan 8.210 nan 0.000 0.565 235 R N 3.926 124.535 120.500 0.181 0.000 2.561 235 R HA 0.370 4.710 4.340 0.000 0.000 0.297 235 R C -0.402 176.065 176.300 0.278 0.000 0.969 235 R CA -0.660 55.569 56.100 0.215 0.000 0.879 235 R CB 1.922 32.218 30.300 -0.007 0.000 1.178 235 R HN 0.553 nan 8.270 nan 0.000 0.445 236 S N 1.585 117.442 115.700 0.262 0.000 2.533 236 S HA 0.443 4.913 4.470 0.000 0.000 0.282 236 S C -0.303 174.361 174.600 0.107 0.000 1.304 236 S CA -0.151 58.100 58.200 0.086 0.000 1.063 236 S CB 1.115 64.276 63.200 -0.065 0.000 0.881 236 S HN 0.692 nan 8.310 nan 0.000 0.493 237 A N 3.048 125.919 122.820 0.085 0.000 2.612 237 A HA 0.832 5.152 4.320 0.000 0.000 0.293 237 A C -1.256 176.281 177.584 -0.079 0.000 1.075 237 A CA -0.669 51.362 52.037 -0.010 0.000 0.680 237 A CB 1.183 20.289 19.000 0.176 0.000 1.279 237 A HN 0.793 nan 8.150 nan 0.000 0.411 238 I N 0.176 120.553 120.570 -0.322 0.000 2.802 238 I HA 0.696 4.866 4.170 0.000 0.000 0.298 238 I C -1.251 174.656 176.117 -0.349 0.000 1.176 238 I CA -0.224 60.933 61.300 -0.237 0.000 1.025 238 I CB 2.501 40.419 38.000 -0.137 0.000 1.243 238 I HN 0.612 nan 8.210 nan 0.000 0.424 239 T N 5.867 120.262 114.554 -0.264 0.000 2.809 239 T HA 0.455 4.805 4.350 0.000 0.000 0.284 239 T C -0.826 173.623 174.700 -0.418 0.000 0.992 239 T CA -0.375 61.522 62.100 -0.338 0.000 0.957 239 T CB 1.578 70.235 68.868 -0.352 0.000 0.942 239 T HN 0.263 nan 8.240 nan 0.000 0.439 240 V N 4.843 124.463 119.914 -0.489 0.000 2.350 240 V HA 0.502 4.622 4.120 0.000 0.000 0.276 240 V C -0.414 175.378 176.094 -0.503 0.000 1.028 240 V CA -0.728 61.314 62.300 -0.431 0.000 0.860 240 V CB 0.135 31.666 31.823 -0.486 0.000 0.990 240 V HN 0.715 nan 8.190 nan 0.000 0.453 241 F N 4.979 124.879 119.950 -0.082 0.000 2.364 241 F HA 0.521 5.048 4.527 0.000 0.000 0.316 241 F C -1.894 173.844 175.800 -0.103 0.000 1.133 241 F CA -2.494 55.415 58.000 -0.152 0.000 1.051 241 F CB 0.324 39.262 39.000 -0.103 0.000 1.342 241 F HN 0.288 nan 8.300 nan 0.000 0.507 242 P HA -0.011 nan 4.420 nan 0.000 0.262 242 P C -1.042 176.235 177.300 -0.038 0.000 1.182 242 P CA -0.067 62.917 63.100 -0.194 0.000 0.761 242 P CB 0.156 31.515 31.700 -0.568 0.000 0.795 243 Q N 3.485 123.211 119.800 -0.123 0.000 2.474 243 Q HA 0.056 4.396 4.340 0.000 0.000 0.256 243 Q C 0.157 176.025 176.000 -0.221 0.000 1.048 243 Q CA -0.441 55.050 55.803 -0.520 0.000 0.922 243 Q CB 0.706 28.817 28.738 -1.046 0.000 1.288 243 Q HN 0.344 nan 8.270 nan 0.000 0.484 244 R N 1.265 121.647 120.500 -0.197 0.000 2.522 244 R HA -0.005 4.335 4.340 0.000 0.000 0.284 244 R C 0.269 176.535 176.300 -0.057 0.000 1.032 244 R CA 0.733 56.800 56.100 -0.054 0.000 1.049 244 R CB 0.557 30.827 30.300 -0.050 0.000 0.956 244 R HN 0.946 nan 8.270 nan 0.000 0.422 245 S N 2.545 118.260 115.700 0.025 0.000 2.460 245 S HA -0.062 4.408 4.470 0.000 0.000 0.185 245 S C 0.953 175.572 174.600 0.032 0.000 0.908 245 S CA 0.387 58.608 58.200 0.036 0.000 0.894 245 S CB -0.089 63.173 63.200 0.103 0.000 0.855 245 S HN 0.835 nan 8.310 nan 0.000 0.574 246 D N 0.020 120.451 120.400 0.052 0.000 2.369 246 D HA 0.270 4.910 4.640 0.000 0.000 0.211 246 D C 1.409 177.686 176.300 -0.040 0.000 1.077 246 D CA 0.787 54.789 54.000 0.004 0.000 0.842 246 D CB -0.021 40.782 40.800 0.005 0.000 0.947 246 D HN 0.856 nan 8.370 nan 0.000 0.509 247 G N 1.167 109.948 108.800 -0.031 0.000 2.199 247 G HA2 -0.341 3.619 3.960 0.000 0.000 0.254 247 G HA3 -0.341 3.619 3.960 0.000 0.000 0.254 247 G C 1.031 175.879 174.900 -0.087 0.000 0.982 247 G CA 0.438 45.511 45.100 -0.044 0.000 0.632 247 G HN 0.457 nan 8.290 nan 0.000 0.529 248 K N -0.475 119.806 120.400 -0.198 0.000 2.358 248 K HA 0.290 4.610 4.320 0.000 0.000 0.200 248 K C 0.678 177.036 176.600 -0.405 0.000 1.030 248 K CA 0.280 56.373 56.287 -0.324 0.000 1.097 248 K CB 0.346 32.577 32.500 -0.448 0.000 0.862 248 K HN 0.597 nan 8.250 nan 0.000 0.534 249 H N 0.286 119.375 119.070 0.030 0.000 2.549 249 H HA 0.164 4.720 4.556 0.000 0.000 0.253 249 H C -0.951 174.423 175.328 0.077 0.000 1.170 249 H CA -0.814 55.255 56.048 0.035 0.000 0.943 249 H CB 0.439 30.240 29.762 0.064 0.000 1.849 249 H HN -0.015 nan 8.280 nan 0.000 0.603 250 D N 0.612 121.095 120.400 0.140 0.000 2.443 250 D HA -0.006 4.634 4.640 0.000 0.000 0.239 250 D C -0.180 176.203 176.300 0.139 0.000 1.136 250 D CA 0.534 54.641 54.000 0.177 0.000 0.879 250 D CB 0.575 41.440 40.800 0.108 0.000 1.195 250 D HN 0.138 nan 8.370 nan 0.000 0.443 251 F N 2.269 122.261 119.950 0.069 0.000 2.410 251 F HA 0.403 4.930 4.527 0.000 0.000 0.349 251 F C 0.835 176.657 175.800 0.037 0.000 1.117 251 F CA -0.335 57.681 58.000 0.025 0.000 1.104 251 F CB 0.865 39.868 39.000 0.006 0.000 1.122 251 F HN -0.137 nan 8.300 nan 0.000 0.483 252 R N 3.546 124.130 120.500 0.140 0.000 2.651 252 R HA 0.501 4.841 4.340 0.000 0.000 0.278 252 R C -1.786 174.640 176.300 0.211 0.000 1.010 252 R CA -1.111 55.094 56.100 0.174 0.000 0.896 252 R CB 2.272 32.688 30.300 0.193 0.000 1.211 252 R HN 0.478 nan 8.270 nan 0.000 0.456 253 L N 1.831 123.161 121.223 0.178 0.000 2.272 253 L HA 0.359 4.699 4.340 0.000 0.000 0.289 253 L C 0.560 177.610 176.870 0.300 0.000 1.032 253 L CA -0.095 54.858 54.840 0.189 0.000 0.810 253 L CB 0.768 42.880 42.059 0.090 0.000 1.205 253 L HN 0.574 nan 8.230 nan 0.000 0.422 254 W N 0.883 122.208 121.300 0.043 0.000 3.180 254 W HA 0.089 4.749 4.660 0.000 0.000 0.254 254 W C 0.449 176.905 176.519 -0.106 0.000 1.318 254 W CA -0.583 56.835 57.345 0.122 0.000 1.608 254 W CB -0.976 28.704 29.460 0.366 0.000 1.124 254 W HN 0.477 nan 8.180 nan 0.000 0.694 255 N N -0.770 117.943 118.700 0.023 0.000 2.513 255 N HA 0.100 4.840 4.740 0.000 0.000 0.274 255 N C 1.157 176.517 175.510 -0.250 0.000 1.189 255 N CA 0.221 53.096 53.050 -0.293 0.000 0.975 255 N CB 1.048 39.488 38.487 -0.078 0.000 1.157 255 N HN -0.306 nan 8.380 nan 0.000 0.465 256 S N 0.368 115.887 115.700 -0.301 0.000 2.345 256 S HA -0.061 4.409 4.470 0.000 0.000 0.219 256 S C 0.272 174.788 174.600 -0.140 0.000 1.031 256 S CA 1.074 59.173 58.200 -0.169 0.000 0.984 256 S CB -0.104 63.028 63.200 -0.113 0.000 0.874 256 S HN 0.607 nan 8.310 nan 0.000 0.451 257 Q N -0.837 118.874 119.800 -0.148 0.000 2.528 257 Q HA 0.491 4.831 4.340 0.000 0.000 0.289 257 Q C 0.526 176.412 176.000 -0.189 0.000 1.091 257 Q CA -0.634 55.069 55.803 -0.168 0.000 0.797 257 Q CB 1.309 29.970 28.738 -0.128 0.000 1.466 257 Q HN 0.046 nan 8.270 nan 0.000 0.436 258 L N 0.068 121.168 121.223 -0.205 0.000 1.989 258 L HA -0.087 4.253 4.340 0.000 0.000 0.211 258 L C 0.522 177.243 176.870 -0.249 0.000 1.071 258 L CA 1.392 56.121 54.840 -0.186 0.000 0.749 258 L CB -0.126 41.814 42.059 -0.198 0.000 0.890 258 L HN 0.519 nan 8.230 nan 0.000 0.431 259 I N -0.642 119.681 120.570 -0.411 0.000 2.336 259 I HA 0.360 4.530 4.170 0.000 0.000 0.292 259 I C -0.070 175.432 176.117 -1.025 0.000 0.991 259 I CA 0.111 61.005 61.300 -0.677 0.000 1.227 259 I CB 1.562 39.078 38.000 -0.808 0.000 1.366 259 I HN 0.015 nan 8.210 nan 0.000 0.466 260 R N 4.132 124.171 120.500 -0.768 0.000 2.663 260 R HA 0.525 4.865 4.340 0.000 0.000 0.267 260 R C -1.940 174.146 176.300 -0.357 0.000 1.038 260 R CA -0.822 54.941 56.100 -0.562 0.000 0.886 260 R CB 1.028 31.197 30.300 -0.218 0.000 1.249 260 R HN 0.293 nan 8.270 nan 0.000 0.463 261 Y N 1.032 121.337 120.300 0.009 0.000 2.334 261 Y HA 0.657 5.207 4.550 0.000 0.000 0.328 261 Y C 0.776 176.680 175.900 0.007 0.000 1.130 261 Y CA -0.618 57.520 58.100 0.064 0.000 1.163 261 Y CB 1.584 40.170 38.460 0.210 0.000 1.207 261 Y HN 0.745 nan 8.280 nan 0.000 0.471 262 A N 1.390 124.283 122.820 0.122 0.000 2.366 262 A HA 0.642 4.962 4.320 0.000 0.000 0.249 262 A C 0.444 177.836 177.584 -0.320 0.000 1.084 262 A CA 0.282 52.206 52.037 -0.188 0.000 0.794 262 A CB -0.177 18.657 19.000 -0.276 0.000 1.034 262 A HN 0.949 nan 8.150 nan 0.000 0.491 263 G N 0.114 108.616 108.800 -0.497 0.000 2.744 263 G HA2 0.574 4.534 3.960 0.000 0.000 0.286 263 G HA3 0.574 4.534 3.960 0.000 0.000 0.286 263 G C -1.228 173.437 174.900 -0.391 0.000 1.497 263 G CA -0.316 44.563 45.100 -0.367 0.000 1.070 263 G HN 0.547 nan 8.290 nan 0.000 0.539 264 Y N 0.079 120.409 120.300 0.050 0.000 2.509 264 Y HA 0.608 5.158 4.550 0.000 0.000 0.341 264 Y C 0.394 176.338 175.900 0.072 0.000 1.038 264 Y CA -1.283 56.863 58.100 0.077 0.000 1.089 264 Y CB 2.083 40.626 38.460 0.138 0.000 1.241 264 Y HN 0.461 nan 8.280 nan 0.000 0.468 265 Q N 2.888 122.831 119.800 0.238 0.000 2.377 265 Q HA 0.326 4.666 4.340 0.000 0.000 0.249 265 Q C -0.821 175.262 176.000 0.138 0.000 1.005 265 Q CA -0.720 55.169 55.803 0.144 0.000 0.912 265 Q CB 0.490 29.285 28.738 0.096 0.000 1.223 265 Q HN 0.557 nan 8.270 nan 0.000 0.459 266 M N 5.146 124.811 119.600 0.108 0.000 2.250 266 M HA 0.065 4.546 4.480 0.000 0.000 0.325 266 M C -1.403 174.910 176.300 0.021 0.000 1.084 266 M CA -1.936 53.396 55.300 0.053 0.000 1.161 266 M CB -0.156 32.464 32.600 0.033 0.000 1.481 266 M HN 0.518 nan 8.290 nan 0.000 0.449 267 P HA -0.168 nan 4.420 nan 0.000 0.216 267 P C 0.252 177.545 177.300 -0.013 0.000 1.150 267 P CA 1.443 64.530 63.100 -0.021 0.000 0.837 267 P CB -0.247 31.422 31.700 -0.052 0.000 0.786 268 D N -0.877 119.515 120.400 -0.014 0.000 2.494 268 D HA 0.063 4.703 4.640 0.000 0.000 0.249 268 D C 1.333 177.635 176.300 0.002 0.000 1.223 268 D CA 0.552 54.547 54.000 -0.008 0.000 0.865 268 D CB -0.805 39.987 40.800 -0.013 0.000 0.974 268 D HN 0.268 nan 8.370 nan 0.000 0.491 269 G N 1.140 109.945 108.800 0.008 0.000 2.435 269 G HA2 -0.402 3.559 3.960 0.000 0.000 0.245 269 G HA3 -0.402 3.559 3.960 0.000 0.000 0.245 269 G C 0.844 175.757 174.900 0.021 0.000 1.073 269 G CA 0.911 46.020 45.100 0.015 0.000 0.638 269 G HN 0.703 nan 8.290 nan 0.000 0.521 270 T N -0.728 113.838 114.554 0.020 0.000 2.652 270 T HA 0.565 4.915 4.350 0.000 0.000 0.345 270 T C 0.515 175.236 174.700 0.035 0.000 1.051 270 T CA 0.504 62.618 62.100 0.024 0.000 1.021 270 T CB 1.077 69.957 68.868 0.019 0.000 1.141 270 T HN 0.849 nan 8.240 nan 0.000 0.518 271 I N 0.170 120.758 120.570 0.031 0.000 2.548 271 I HA 0.391 4.561 4.170 0.000 0.000 0.287 271 I C -0.039 176.091 176.117 0.023 0.000 1.103 271 I CA -0.772 60.550 61.300 0.038 0.000 1.049 271 I CB 2.215 40.223 38.000 0.013 0.000 1.232 271 I HN 0.589 nan 8.210 nan 0.000 0.429 272 R N 3.605 124.154 120.500 0.081 0.000 2.486 272 R HA 0.726 5.066 4.340 0.000 0.000 0.286 272 R C 0.446 176.752 176.300 0.011 0.000 0.999 272 R CA 0.600 56.743 56.100 0.072 0.000 0.993 272 R CB 1.656 32.063 30.300 0.178 0.000 1.084 272 R HN 0.900 nan 8.270 nan 0.000 0.487 273 G N 2.359 111.074 108.800 -0.141 0.000 2.642 273 G HA2 -0.276 3.684 3.960 0.000 0.000 0.231 273 G HA3 -0.276 3.684 3.960 0.000 0.000 0.231 273 G C -0.965 173.627 174.900 -0.514 0.000 1.338 273 G CA -0.144 44.792 45.100 -0.273 0.000 0.883 273 G HN 0.665 nan 8.290 nan 0.000 0.570 274 D N 1.331 121.541 120.400 -0.316 0.000 2.346 274 D HA 0.502 5.142 4.640 0.000 0.000 0.260 274 D C 1.483 177.738 176.300 -0.075 0.000 1.252 274 D CA 0.835 54.733 54.000 -0.170 0.000 0.895 274 D CB 0.816 41.798 40.800 0.304 0.000 1.097 274 D HN 0.937 nan 8.370 nan 0.000 0.489 275 A N 3.959 126.729 122.820 -0.083 0.000 2.067 275 A HA -0.032 4.288 4.320 0.000 0.000 0.219 275 A C 2.056 179.659 177.584 0.033 0.000 1.158 275 A CA 1.471 53.496 52.037 -0.021 0.000 0.661 275 A CB -0.201 18.791 19.000 -0.013 0.000 0.801 275 A HN 0.625 nan 8.150 nan 0.000 0.452 276 A N -0.163 122.702 122.820 0.075 0.000 2.015 276 A HA -0.018 4.302 4.320 0.000 0.000 0.219 276 A C 1.955 179.597 177.584 0.096 0.000 1.163 276 A CA 1.876 53.971 52.037 0.098 0.000 0.646 276 A CB -0.911 18.172 19.000 0.137 0.000 0.806 276 A HN 0.795 nan 8.150 nan 0.000 0.448 277 T N -2.794 111.814 114.554 0.090 0.000 3.240 277 T HA 0.507 4.857 4.350 0.000 0.000 0.248 277 T C 1.002 175.727 174.700 0.041 0.000 0.929 277 T CA -0.192 61.968 62.100 0.100 0.000 0.939 277 T CB -0.133 68.806 68.868 0.119 0.000 1.114 277 T HN 0.220 nan 8.240 nan 0.000 0.558 278 L N 0.220 121.459 121.223 0.026 0.000 2.049 278 L HA 0.146 4.486 4.340 0.000 0.000 0.203 278 L C 2.913 179.772 176.870 -0.018 0.000 1.074 278 L CA 1.333 56.169 54.840 -0.007 0.000 0.749 278 L CB -0.170 41.896 42.059 0.012 0.000 0.907 278 L HN 0.443 nan 8.230 nan 0.000 0.439 279 E N -0.442 119.758 120.200 -0.000 0.000 2.106 279 E HA -0.279 4.071 4.350 0.000 0.000 0.192 279 E C 2.100 178.604 176.600 -0.160 0.000 0.984 279 E CA 1.188 57.553 56.400 -0.058 0.000 0.806 279 E CB -0.051 29.639 29.700 -0.017 0.000 0.750 279 E HN 0.385 nan 8.360 nan 0.000 0.458 280 F N 1.232 121.011 119.950 -0.285 0.000 2.259 280 F HA -0.080 4.447 4.527 0.000 0.000 0.298 280 F C 2.191 177.839 175.800 -0.253 0.000 1.088 280 F CA 1.539 59.317 58.000 -0.370 0.000 1.358 280 F CB -0.422 38.432 39.000 -0.245 0.000 1.040 280 F HN -0.056 nan 8.300 nan 0.000 0.505 281 T N -0.292 114.107 114.554 -0.259 0.000 2.777 281 T HA -0.233 4.117 4.350 0.000 0.000 0.266 281 T C 1.770 176.343 174.700 -0.212 0.000 1.040 281 T CA 1.613 63.527 62.100 -0.310 0.000 1.141 281 T CB -0.280 68.448 68.868 -0.233 0.000 0.868 281 T HN 0.240 nan 8.240 nan 0.000 0.444 282 Q N 0.663 120.374 119.800 -0.149 0.000 2.124 282 Q HA -0.030 4.310 4.340 0.000 0.000 0.202 282 Q C 2.083 177.999 176.000 -0.139 0.000 0.977 282 Q CA 1.129 56.880 55.803 -0.087 0.000 0.850 282 Q CB -0.621 28.080 28.738 -0.061 0.000 0.901 282 Q HN 0.415 nan 8.270 nan 0.000 0.429 283 L N -0.522 120.549 121.223 -0.253 0.000 2.083 283 L HA -0.140 4.200 4.340 0.000 0.000 0.209 283 L C 2.022 178.747 176.870 -0.243 0.000 1.083 283 L CA 1.629 56.326 54.840 -0.238 0.000 0.752 283 L CB -0.762 41.102 42.059 -0.324 0.000 0.899 283 L HN 0.381 nan 8.230 nan 0.000 0.433 284 C N -0.637 118.421 119.300 -0.404 0.000 2.446 284 C HA -0.108 4.352 4.460 0.000 0.000 0.277 284 C C 2.676 177.655 174.990 -0.019 0.000 1.275 284 C CA 0.341 59.161 59.018 -0.329 0.000 1.727 284 C CB -0.836 26.544 27.740 -0.599 0.000 2.010 284 C HN 0.540 nan 8.230 nan 0.000 0.486 285 I N 1.628 122.224 120.570 0.043 0.000 2.179 285 I HA -0.154 4.016 4.170 0.000 0.000 0.242 285 I C 2.001 178.130 176.117 0.019 0.000 1.088 285 I CA 1.857 63.213 61.300 0.093 0.000 1.357 285 I CB -1.638 36.405 38.000 0.071 0.000 1.051 285 I HN 0.320 nan 8.210 nan 0.000 0.409 286 D N 0.758 121.145 120.400 -0.022 0.000 2.265 286 D HA -0.124 4.516 4.640 0.000 0.000 0.208 286 D C 1.955 178.234 176.300 -0.035 0.000 0.977 286 D CA 0.862 54.839 54.000 -0.038 0.000 0.871 286 D CB -0.177 40.588 40.800 -0.058 0.000 0.925 286 D HN 0.335 nan 8.370 nan 0.000 0.485 287 L N -0.792 120.416 121.223 -0.026 0.000 2.653 287 L HA 0.270 4.610 4.340 0.000 0.000 0.231 287 L C 1.148 178.006 176.870 -0.020 0.000 1.153 287 L CA 0.063 54.887 54.840 -0.026 0.000 0.933 287 L CB 0.031 42.061 42.059 -0.049 0.000 1.175 287 L HN 0.102 nan 8.230 nan 0.000 0.473 288 G N -0.750 108.050 108.800 -0.001 0.000 2.132 288 G HA2 -0.298 3.662 3.960 0.000 0.000 0.228 288 G HA3 -0.298 3.662 3.960 0.000 0.000 0.228 288 G C -0.313 174.611 174.900 0.040 0.000 1.000 288 G CA -0.346 44.751 45.100 -0.005 0.000 0.693 288 G HN 0.365 nan 8.290 nan 0.000 0.515 289 W N 2.146 123.377 121.300 -0.116 0.000 2.315 289 W HA 0.660 5.320 4.660 0.000 0.000 0.316 289 W C 0.303 176.768 176.519 -0.090 0.000 1.211 289 W CA -1.128 56.151 57.345 -0.110 0.000 1.201 289 W CB 0.755 30.139 29.460 -0.127 0.000 1.184 289 W HN -0.037 nan 8.180 nan 0.000 0.544 290 K N 8.129 128.010 120.400 -0.865 0.000 2.262 290 K HA 0.164 4.484 4.320 0.000 0.000 0.288 290 K C -2.342 173.416 176.600 -1.403 0.000 1.090 290 K CA -1.645 54.144 56.287 -0.829 0.000 0.918 290 K CB 0.216 32.395 32.500 -0.536 0.000 1.139 290 K HN 0.317 nan 8.250 nan 0.000 0.462 291 P HA 0.179 nan 4.420 nan 0.000 0.269 291 P C -0.214 176.592 177.300 -0.824 0.000 1.252 291 P CA -0.290 62.161 63.100 -1.081 0.000 0.780 291 P CB 0.586 31.745 31.700 -0.902 0.000 0.829 292 R N 2.130 122.313 120.500 -0.528 0.000 2.313 292 R HA 0.068 4.408 4.340 0.000 0.000 0.199 292 R C 0.025 176.248 176.300 -0.128 0.000 0.958 292 R CA -0.158 55.814 56.100 -0.213 0.000 1.047 292 R CB -1.157 29.116 30.300 -0.046 0.000 0.955 292 R HN 0.411 nan 8.270 nan 0.000 0.481 293 Y N -0.573 119.411 120.300 -0.527 0.000 2.984 293 Y HA -0.267 4.283 4.550 0.000 0.000 0.193 293 Y C 0.963 176.736 175.900 -0.211 0.000 1.413 293 Y CA 0.709 58.343 58.100 -0.777 0.000 0.832 293 Y CB -1.542 36.580 38.460 -0.564 0.000 1.314 293 Y HN 0.301 nan 8.280 nan 0.000 0.386 294 G N 0.253 109.189 108.800 0.226 0.000 2.921 294 G HA2 0.619 4.579 3.960 0.000 0.000 0.291 294 G HA3 0.619 4.579 3.960 0.000 0.000 0.291 294 G C 0.282 175.297 174.900 0.191 0.000 1.370 294 G CA -0.953 44.263 45.100 0.193 0.000 0.847 294 G HN 0.209 nan 8.290 nan 0.000 0.532 295 R N -1.311 119.186 120.500 -0.006 0.000 2.090 295 R HA 0.158 4.498 4.340 0.000 0.000 0.219 295 R C 0.156 176.144 176.300 -0.520 0.000 1.100 295 R CA 0.920 56.846 56.100 -0.289 0.000 0.991 295 R CB 0.027 30.032 30.300 -0.492 0.000 0.893 295 R HN 0.317 nan 8.270 nan 0.000 0.443 296 F N 1.425 121.323 119.950 -0.086 0.000 2.664 296 F HA 0.259 4.786 4.527 0.000 0.000 0.322 296 F C -0.668 175.067 175.800 -0.109 0.000 1.324 296 F CA -1.088 56.596 58.000 -0.527 0.000 1.154 296 F CB 0.496 39.065 39.000 -0.718 0.000 1.236 296 F HN -0.291 nan 8.300 nan 0.000 0.532 297 D N 1.671 122.234 120.400 0.272 0.000 2.380 297 D HA 0.153 4.793 4.640 0.000 0.000 0.230 297 D C 0.160 176.727 176.300 0.444 0.000 1.154 297 D CA 0.088 54.323 54.000 0.392 0.000 0.859 297 D CB 1.954 43.040 40.800 0.478 0.000 1.045 297 D HN -0.039 nan 8.370 nan 0.000 0.495 298 V N 4.192 124.353 119.914 0.412 0.000 2.475 298 V HA -0.072 4.048 4.120 0.000 0.000 0.292 298 V C 1.142 177.301 176.094 0.108 0.000 1.003 298 V CA -0.016 62.418 62.300 0.224 0.000 1.120 298 V CB -0.200 31.709 31.823 0.143 0.000 0.937 298 V HN 0.339 nan 8.190 nan 0.000 0.476 299 L N 8.608 129.786 121.223 -0.074 0.000 2.473 299 L HA 0.294 4.634 4.340 0.000 0.000 0.268 299 L C -1.643 175.059 176.870 -0.280 0.000 1.215 299 L CA -1.246 53.379 54.840 -0.359 0.000 0.823 299 L CB 0.577 42.466 42.059 -0.283 0.000 1.099 299 L HN 0.471 nan 8.230 nan 0.000 0.483 300 P HA 0.119 nan 4.420 nan 0.000 0.281 300 P C -0.977 176.285 177.300 -0.063 0.000 1.249 300 P CA -0.702 62.265 63.100 -0.222 0.000 0.810 300 P CB 1.181 32.658 31.700 -0.372 0.000 1.008 301 L N 2.917 124.191 121.223 0.085 0.000 2.410 301 L HA 0.105 4.445 4.340 0.000 0.000 0.273 301 L C 0.216 177.184 176.870 0.163 0.000 1.144 301 L CA 0.016 54.949 54.840 0.155 0.000 0.863 301 L CB 0.318 42.522 42.059 0.241 0.000 1.140 301 L HN 0.129 nan 8.230 nan 0.000 0.463 302 V N 6.434 126.450 119.914 0.170 0.000 2.275 302 V HA 0.345 4.465 4.120 0.000 0.000 0.272 302 V C -0.247 175.858 176.094 0.018 0.000 1.028 302 V CA -0.641 61.705 62.300 0.077 0.000 0.810 302 V CB 1.096 33.029 31.823 0.183 0.000 1.043 302 V HN 0.406 nan 8.190 nan 0.000 0.453 303 L N 5.247 126.471 121.223 0.000 0.000 2.322 303 L HA 0.655 4.995 4.340 0.000 0.000 0.281 303 L C -0.011 176.761 176.870 -0.164 0.000 1.014 303 L CA -0.363 54.448 54.840 -0.048 0.000 0.815 303 L CB 1.692 43.736 42.059 -0.025 0.000 1.247 303 L HN 0.779 nan 8.230 nan 0.000 0.421 304 Q N 2.166 121.860 119.800 -0.176 0.000 2.333 304 Q HA 0.894 5.234 4.340 0.000 0.000 0.268 304 Q C -1.235 174.597 176.000 -0.279 0.000 1.007 304 Q CA -0.755 54.919 55.803 -0.215 0.000 0.810 304 Q CB 2.121 30.763 28.738 -0.160 0.000 1.264 304 Q HN 0.704 nan 8.270 nan 0.000 0.452 305 A N 2.880 125.465 122.820 -0.392 0.000 2.337 305 A HA 0.519 4.839 4.320 0.000 0.000 0.329 305 A C -0.216 176.872 177.584 -0.827 0.000 1.146 305 A CA -0.281 51.231 52.037 -0.874 0.000 0.800 305 A CB 0.926 19.604 19.000 -0.536 0.000 1.220 305 A HN 1.025 nan 8.150 nan 0.000 0.472 306 D N 0.877 120.447 120.400 -1.383 0.000 2.702 306 D HA -0.124 4.516 4.640 0.000 0.000 0.233 306 D C 1.252 177.497 176.300 -0.092 0.000 1.164 306 D CA 2.722 56.457 54.000 -0.440 0.000 0.638 306 D CB -1.066 39.612 40.800 -0.203 0.000 1.041 306 D HN 2.043 nan 8.370 nan 0.000 0.422 307 G N -1.009 107.735 108.800 -0.094 0.000 2.220 307 G HA2 -0.421 3.539 3.960 0.000 0.000 0.269 307 G HA3 -0.421 3.539 3.960 0.000 0.000 0.269 307 G C 0.462 175.382 174.900 0.035 0.000 0.977 307 G CA 0.803 45.920 45.100 0.029 0.000 0.634 307 G HN 0.616 nan 8.290 nan 0.000 0.539 308 Q N 1.148 120.926 119.800 -0.036 0.000 2.535 308 Q HA 0.436 4.777 4.340 0.000 0.000 0.228 308 Q C 0.471 176.457 176.000 -0.022 0.000 1.062 308 Q CA 0.078 55.865 55.803 -0.027 0.000 0.967 308 Q CB 0.333 29.032 28.738 -0.067 0.000 1.273 308 Q HN 0.395 nan 8.270 nan 0.000 0.554 309 D N 1.868 122.245 120.400 -0.039 0.000 2.399 309 D HA 0.122 4.762 4.640 0.000 0.000 0.241 309 D C -2.142 173.981 176.300 -0.295 0.000 1.133 309 D CA -1.027 52.883 54.000 -0.149 0.000 0.890 309 D CB 0.057 40.839 40.800 -0.030 0.000 1.201 309 D HN 0.314 nan 8.370 nan 0.000 0.432 310 P HA 0.074 nan 4.420 nan 0.000 0.268 310 P C -0.584 176.504 177.300 -0.353 0.000 1.205 310 P CA 0.006 62.718 63.100 -0.646 0.000 0.771 310 P CB 1.016 31.893 31.700 -1.371 0.000 0.858 311 E N 0.906 120.973 120.200 -0.221 0.000 2.183 311 E HA 0.349 4.699 4.350 0.000 0.000 0.271 311 E C -0.646 175.815 176.600 -0.232 0.000 0.919 311 E CA -1.167 55.107 56.400 -0.210 0.000 0.781 311 E CB 1.911 31.534 29.700 -0.129 0.000 1.140 311 E HN 0.187 nan 8.360 nan 0.000 0.402 312 V N 3.861 123.547 119.914 -0.381 0.000 2.461 312 V HA 0.278 4.398 4.120 0.000 0.000 0.275 312 V C -0.647 175.119 176.094 -0.546 0.000 1.047 312 V CA -0.164 61.957 62.300 -0.299 0.000 0.955 312 V CB -0.088 31.622 31.823 -0.188 0.000 0.988 312 V HN 0.509 nan 8.190 nan 0.000 0.471 313 F N 2.286 122.107 119.950 -0.214 0.000 2.553 313 F HA 0.436 4.963 4.527 0.000 0.000 0.335 313 F C 0.191 175.890 175.800 -0.168 0.000 1.148 313 F CA -0.798 56.975 58.000 -0.378 0.000 0.963 313 F CB 1.667 40.197 39.000 -0.784 0.000 1.217 313 F HN 0.452 nan 8.300 nan 0.000 0.441 314 E N 3.427 123.665 120.200 0.063 0.000 2.384 314 E HA 0.240 4.590 4.350 0.000 0.000 0.266 314 E C -0.496 176.267 176.600 0.270 0.000 1.012 314 E CA 0.118 56.625 56.400 0.178 0.000 0.901 314 E CB 0.546 30.354 29.700 0.180 0.000 0.967 314 E HN 0.470 nan 8.360 nan 0.000 0.435 315 I N 6.956 127.683 120.570 0.260 0.000 2.416 315 I HA 0.165 4.335 4.170 0.000 0.000 0.288 315 I C -1.826 174.419 176.117 0.213 0.000 1.051 315 I CA -2.105 59.362 61.300 0.279 0.000 1.375 315 I CB 0.881 38.968 38.000 0.144 0.000 1.407 315 I HN 0.443 nan 8.210 nan 0.000 0.516 316 P HA 0.043 nan 4.420 nan 0.000 0.259 316 P C -1.969 175.385 177.300 0.090 0.000 1.211 316 P CA -0.736 62.450 63.100 0.144 0.000 0.810 316 P CB 0.115 31.879 31.700 0.108 0.000 0.815 317 P HA -0.251 nan 4.420 nan 0.000 0.218 317 P C 0.865 178.196 177.300 0.052 0.000 1.152 317 P CA 1.485 64.631 63.100 0.076 0.000 0.857 317 P CB -0.038 31.710 31.700 0.080 0.000 0.787 318 D N -1.373 119.052 120.400 0.043 0.000 2.309 318 D HA -0.074 4.567 4.640 0.000 0.000 0.212 318 D C 1.781 178.091 176.300 0.016 0.000 0.968 318 D CA 0.858 54.874 54.000 0.027 0.000 0.882 318 D CB -0.209 40.604 40.800 0.023 0.000 0.918 318 D HN 0.282 nan 8.370 nan 0.000 0.503 319 L N 0.167 121.397 121.223 0.013 0.000 2.375 319 L HA 0.032 4.372 4.340 0.000 0.000 0.215 319 L C 0.732 177.600 176.870 -0.004 0.000 1.108 319 L CA 0.190 55.028 54.840 -0.005 0.000 0.830 319 L CB 0.381 42.424 42.059 -0.026 0.000 0.959 319 L HN -0.217 nan 8.230 nan 0.000 0.457 320 V N 2.716 122.635 119.914 0.008 0.000 2.313 320 V HA 0.065 4.185 4.120 0.000 0.000 0.252 320 V C 0.127 176.237 176.094 0.027 0.000 1.112 320 V CA -0.364 61.941 62.300 0.008 0.000 0.984 320 V CB 0.479 32.310 31.823 0.014 0.000 1.157 320 V HN 0.076 nan 8.190 nan 0.000 0.493 321 L N 5.441 126.679 121.223 0.026 0.000 2.360 321 L HA 0.432 4.772 4.340 0.000 0.000 0.276 321 L C 0.150 177.037 176.870 0.029 0.000 1.121 321 L CA 0.627 55.478 54.840 0.019 0.000 0.845 321 L CB 0.442 42.508 42.059 0.011 0.000 1.143 321 L HN 0.629 nan 8.230 nan 0.000 0.452 322 E N 3.329 123.525 120.200 -0.006 0.000 2.277 322 E HA 0.569 4.919 4.350 0.000 0.000 0.266 322 E C -1.386 175.136 176.600 -0.131 0.000 0.901 322 E CA -1.021 55.363 56.400 -0.027 0.000 0.782 322 E CB 2.458 32.164 29.700 0.010 0.000 1.228 322 E HN 0.401 nan 8.360 nan 0.000 0.424 323 V N 2.057 121.844 119.914 -0.212 0.000 2.384 323 V HA 0.255 4.375 4.120 0.000 0.000 0.287 323 V C -0.138 175.853 176.094 -0.172 0.000 1.020 323 V CA -0.734 61.368 62.300 -0.329 0.000 0.850 323 V CB 1.505 32.827 31.823 -0.835 0.000 0.987 323 V HN 0.808 nan 8.190 nan 0.000 0.436 324 T N 3.986 118.464 114.554 -0.127 0.000 2.780 324 T HA 0.514 4.864 4.350 0.000 0.000 0.294 324 T C -0.111 174.586 174.700 -0.005 0.000 0.949 324 T CA -0.818 61.240 62.100 -0.071 0.000 1.074 324 T CB 0.759 69.593 68.868 -0.056 0.000 0.910 324 T HN 0.292 nan 8.240 nan 0.000 0.501 325 M N 3.993 123.620 119.600 0.046 0.000 2.200 325 M HA 0.312 4.792 4.480 0.000 0.000 0.355 325 M C 0.426 176.867 176.300 0.235 0.000 1.283 325 M CA -0.182 55.224 55.300 0.177 0.000 1.124 325 M CB -0.274 32.457 32.600 0.218 0.000 1.625 325 M HN 0.940 nan 8.290 nan 0.000 0.463 326 E N 1.695 122.100 120.200 0.342 0.000 2.343 326 E HA 0.272 4.622 4.350 0.000 0.000 0.286 326 E C -1.203 175.557 176.600 0.267 0.000 0.915 326 E CA -0.794 55.829 56.400 0.372 0.000 0.784 326 E CB 1.265 31.091 29.700 0.210 0.000 1.251 326 E HN 0.587 nan 8.360 nan 0.000 0.407 327 H N 4.476 123.543 119.070 -0.005 0.000 2.764 327 H HA 0.122 4.679 4.556 0.000 0.000 0.341 327 H C -1.519 173.665 175.328 -0.240 0.000 1.072 327 H CA -1.569 54.274 56.048 -0.343 0.000 1.444 327 H CB 1.535 30.896 29.762 -0.668 0.000 1.458 327 H HN 0.480 nan 8.280 nan 0.000 0.572 328 P HA -0.024 nan 4.420 nan 0.000 0.242 328 P C 0.392 177.671 177.300 -0.035 0.000 1.197 328 P CA 0.731 63.554 63.100 -0.461 0.000 0.765 328 P CB 0.717 31.856 31.700 -0.934 0.000 0.936 329 K N -1.757 118.774 120.400 0.218 0.000 2.665 329 K HA 0.135 4.455 4.320 0.000 0.000 0.197 329 K C 0.138 176.803 176.600 0.108 0.000 1.463 329 K CA 0.440 56.823 56.287 0.160 0.000 1.107 329 K CB 0.116 32.757 32.500 0.235 0.000 1.584 329 K HN 0.054 nan 8.250 nan 0.000 0.558 330 Y N 3.506 123.543 120.300 -0.438 0.000 2.535 330 Y HA 0.199 4.749 4.550 0.000 0.000 0.349 330 Y C 1.326 176.948 175.900 -0.463 0.000 0.992 330 Y CA -0.791 56.954 58.100 -0.593 0.000 1.248 330 Y CB 0.579 38.340 38.460 -1.165 0.000 1.124 330 Y HN -0.034 nan 8.280 nan 0.000 0.520 331 E N 2.895 123.049 120.200 -0.078 0.000 2.204 331 E HA -0.178 4.172 4.350 0.000 0.000 0.194 331 E C 1.866 178.506 176.600 0.066 0.000 0.989 331 E CA 0.824 57.238 56.400 0.023 0.000 0.824 331 E CB -0.208 29.539 29.700 0.079 0.000 0.756 331 E HN 0.903 nan 8.360 nan 0.000 0.477 332 W N -0.316 121.085 121.300 0.169 0.000 2.525 332 W HA -0.043 4.617 4.660 0.000 0.000 0.259 332 W C 1.501 178.135 176.519 0.191 0.000 1.253 332 W CA -0.153 57.279 57.345 0.145 0.000 1.262 332 W CB -1.080 28.448 29.460 0.113 0.000 1.122 332 W HN -0.106 nan 8.180 nan 0.000 0.607 333 F N 2.656 122.333 119.950 -0.455 0.000 2.126 333 F HA -0.234 4.293 4.527 0.000 0.000 0.299 333 F C 2.975 178.742 175.800 -0.054 0.000 1.096 333 F CA 2.741 60.514 58.000 -0.378 0.000 1.255 333 F CB -0.820 37.888 39.000 -0.487 0.000 0.997 333 F HN -0.064 nan 8.300 nan 0.000 0.479 334 Q N 0.281 120.102 119.800 0.036 0.000 2.135 334 Q HA -0.250 4.090 4.340 0.000 0.000 0.204 334 Q C 1.936 177.930 176.000 -0.010 0.000 0.981 334 Q CA 1.957 57.762 55.803 0.003 0.000 0.856 334 Q CB -0.286 28.490 28.738 0.063 0.000 0.902 334 Q HN 0.542 nan 8.270 nan 0.000 0.425 335 E N -0.118 120.117 120.200 0.060 0.000 2.331 335 E HA -0.187 4.163 4.350 0.000 0.000 0.199 335 E C 1.584 178.210 176.600 0.043 0.000 1.008 335 E CA 0.486 56.934 56.400 0.080 0.000 0.843 335 E CB 0.068 29.859 29.700 0.152 0.000 0.761 335 E HN 0.298 nan 8.360 nan 0.000 0.507 336 L N -0.386 120.818 121.223 -0.030 0.000 2.291 336 L HA 0.039 4.379 4.340 0.000 0.000 0.214 336 L C 1.313 178.155 176.870 -0.047 0.000 1.120 336 L CA 1.095 55.891 54.840 -0.074 0.000 0.799 336 L CB -0.553 41.352 42.059 -0.257 0.000 0.925 336 L HN 0.161 nan 8.230 nan 0.000 0.446 337 G N 0.534 109.310 108.800 -0.041 0.000 2.351 337 G HA2 -0.262 3.698 3.960 0.000 0.000 0.297 337 G HA3 -0.262 3.698 3.960 0.000 0.000 0.297 337 G C -0.153 174.825 174.900 0.130 0.000 1.054 337 G CA 0.087 45.212 45.100 0.043 0.000 1.123 337 G HN 0.233 nan 8.290 nan 0.000 0.512 338 L N -0.105 121.096 121.223 -0.036 0.000 2.334 338 L HA 0.870 5.210 4.340 0.000 0.000 0.276 338 L C 0.436 177.184 176.870 -0.203 0.000 1.014 338 L CA -0.948 53.866 54.840 -0.043 0.000 0.815 338 L CB 2.175 44.025 42.059 -0.349 0.000 1.268 338 L HN 0.592 nan 8.230 nan 0.000 0.428 339 K N 1.096 121.193 120.400 -0.504 0.000 2.579 339 K HA 0.530 4.850 4.320 0.000 0.000 0.284 339 K C -2.117 174.417 176.600 -0.110 0.000 0.990 339 K CA -1.034 55.039 56.287 -0.357 0.000 0.880 339 K CB 2.508 34.702 32.500 -0.510 0.000 1.488 339 K HN 0.558 nan 8.250 nan 0.000 0.425 340 W N 2.184 123.399 121.300 -0.141 0.000 3.213 340 W HA 0.307 4.967 4.660 0.000 0.000 0.318 340 W C -1.190 175.307 176.519 -0.036 0.000 1.248 340 W CA -0.796 56.514 57.345 -0.059 0.000 1.187 340 W CB 1.602 30.893 29.460 -0.281 0.000 1.403 340 W HN 0.698 nan 8.180 nan 0.000 0.556 341 Y N 1.114 121.267 120.300 -0.245 0.000 2.457 341 Y HA 0.446 4.996 4.550 0.000 0.000 0.341 341 Y C 0.813 176.872 175.900 0.265 0.000 1.240 341 Y CA 0.250 58.308 58.100 -0.069 0.000 1.437 341 Y CB 0.095 38.410 38.460 -0.241 0.000 1.328 341 Y HN 0.345 nan 8.280 nan 0.000 0.588 342 A N 2.423 125.455 122.820 0.354 0.000 2.218 342 A HA 0.183 4.503 4.320 0.000 0.000 0.209 342 A C 0.205 178.118 177.584 0.549 0.000 1.168 342 A CA 0.060 52.374 52.037 0.461 0.000 0.804 342 A CB -0.233 18.886 19.000 0.199 0.000 0.834 342 A HN 0.651 nan 8.150 nan 0.000 0.482 343 L N 1.765 123.273 121.223 0.474 0.000 2.301 343 L HA 0.432 4.772 4.340 0.000 0.000 0.278 343 L C -2.647 174.352 176.870 0.215 0.000 1.022 343 L CA -2.203 52.800 54.840 0.272 0.000 0.854 343 L CB 1.771 43.897 42.059 0.112 0.000 1.226 343 L HN -0.083 nan 8.230 nan 0.000 0.429 344 P HA 0.298 nan 4.420 nan 0.000 0.280 344 P C -1.236 175.946 177.300 -0.198 0.000 1.386 344 P CA -0.221 62.689 63.100 -0.316 0.000 0.899 344 P CB 1.161 32.267 31.700 -0.990 0.000 1.098 345 A N 4.725 127.447 122.820 -0.163 0.000 2.483 345 A HA 0.395 4.715 4.320 0.000 0.000 0.308 345 A C -0.091 177.288 177.584 -0.342 0.000 1.291 345 A CA -0.676 51.203 52.037 -0.262 0.000 0.774 345 A CB 0.724 19.560 19.000 -0.273 0.000 1.134 345 A HN 0.293 nan 8.150 nan 0.000 0.471 346 V N 1.944 121.526 119.914 -0.553 0.000 2.585 346 V HA 0.276 4.396 4.120 0.000 0.000 0.296 346 V C 1.287 177.008 176.094 -0.622 0.000 1.035 346 V CA 1.224 63.153 62.300 -0.620 0.000 1.084 346 V CB 0.967 32.264 31.823 -0.877 0.000 0.953 346 V HN 1.050 nan 8.190 nan 0.000 0.483 347 A N 3.942 126.562 122.820 -0.334 0.000 2.358 347 A HA 0.140 4.460 4.320 0.000 0.000 0.223 347 A C 1.299 178.819 177.584 -0.107 0.000 1.218 347 A CA 0.347 52.265 52.037 -0.199 0.000 0.942 347 A CB -0.117 18.809 19.000 -0.123 0.000 1.005 347 A HN 0.924 nan 8.150 nan 0.000 0.514 348 N N -1.068 117.567 118.700 -0.108 0.000 2.214 348 N HA 0.279 5.019 4.740 0.000 0.000 0.214 348 N C 0.185 175.709 175.510 0.022 0.000 1.132 348 N CA -0.243 52.782 53.050 -0.042 0.000 0.856 348 N CB 0.136 38.580 38.487 -0.072 0.000 1.020 348 N HN 0.309 nan 8.380 nan 0.000 0.509 349 M N 1.182 120.802 119.600 0.034 0.000 2.359 349 M HA 0.335 4.815 4.480 0.000 0.000 0.322 349 M C -0.602 175.823 176.300 0.207 0.000 1.166 349 M CA -0.835 54.550 55.300 0.140 0.000 1.067 349 M CB 2.268 34.965 32.600 0.163 0.000 1.523 349 M HN 0.112 nan 8.290 nan 0.000 0.467 350 L N 2.578 123.957 121.223 0.260 0.000 2.307 350 L HA 0.528 4.868 4.340 0.000 0.000 0.284 350 L C -1.370 175.727 176.870 0.378 0.000 1.023 350 L CA -0.998 54.017 54.840 0.291 0.000 0.810 350 L CB 1.276 43.471 42.059 0.227 0.000 1.231 350 L HN 0.587 nan 8.230 nan 0.000 0.423 351 L N 5.163 126.612 121.223 0.376 0.000 2.255 351 L HA 0.431 4.772 4.340 0.000 0.000 0.289 351 L C -0.383 176.652 176.870 0.276 0.000 1.046 351 L CA 0.301 55.314 54.840 0.288 0.000 0.816 351 L CB 0.926 43.126 42.059 0.234 0.000 1.197 351 L HN 0.597 nan 8.230 nan 0.000 0.427 352 E N 4.793 125.116 120.200 0.205 0.000 2.156 352 E HA 0.439 4.789 4.350 0.000 0.000 0.279 352 E C -1.751 174.880 176.600 0.051 0.000 0.965 352 E CA -0.290 56.218 56.400 0.180 0.000 0.789 352 E CB 1.738 31.637 29.700 0.332 0.000 1.098 352 E HN 0.511 nan 8.360 nan 0.000 0.397 353 V N 3.319 123.236 119.914 0.004 0.000 2.711 353 V HA 0.509 4.630 4.120 0.000 0.000 0.304 353 V C 0.374 176.368 176.094 -0.166 0.000 1.097 353 V CA 0.471 62.671 62.300 -0.166 0.000 0.906 353 V CB 1.309 32.932 31.823 -0.333 0.000 1.015 353 V HN 0.851 nan 8.190 nan 0.000 0.427 354 G N 4.329 113.078 108.800 -0.085 0.000 2.321 354 G HA2 0.052 4.012 3.960 0.000 0.000 0.287 354 G HA3 0.052 4.012 3.960 0.000 0.000 0.287 354 G C 1.611 176.671 174.900 0.267 0.000 1.018 354 G CA 1.384 46.592 45.100 0.180 0.000 0.855 354 G HN 2.707 nan 8.290 nan 0.000 0.507 355 G N -2.381 106.507 108.800 0.147 0.000 2.268 355 G HA2 -0.030 3.930 3.960 0.000 0.000 0.240 355 G HA3 -0.030 3.930 3.960 0.000 0.000 0.240 355 G C 0.514 175.467 174.900 0.088 0.000 1.010 355 G CA 0.782 45.997 45.100 0.192 0.000 0.618 355 G HN 1.991 nan 8.290 nan 0.000 0.516 356 L N -0.310 120.924 121.223 0.018 0.000 2.416 356 L HA 0.936 5.276 4.340 0.000 0.000 0.262 356 L C 0.044 176.812 176.870 -0.170 0.000 1.093 356 L CA -1.151 53.611 54.840 -0.130 0.000 0.801 356 L CB 0.898 42.782 42.059 -0.291 0.000 1.191 356 L HN 0.380 nan 8.230 nan 0.000 0.459 357 E N 0.370 120.405 120.200 -0.275 0.000 2.248 357 E HA 0.515 4.865 4.350 0.000 0.000 0.267 357 E C -1.682 174.723 176.600 -0.324 0.000 0.877 357 E CA -0.499 55.796 56.400 -0.174 0.000 0.759 357 E CB 1.752 31.410 29.700 -0.070 0.000 1.182 357 E HN 0.461 nan 8.360 nan 0.000 0.418 358 F N 2.765 122.733 119.950 0.030 0.000 2.311 358 F HA 0.269 4.796 4.527 0.000 0.000 0.371 358 F C -1.551 174.314 175.800 0.107 0.000 1.083 358 F CA -2.348 55.686 58.000 0.056 0.000 1.113 358 F CB 1.595 40.618 39.000 0.039 0.000 1.349 358 F HN 0.371 nan 8.300 nan 0.000 0.470 359 P HA -0.022 nan 4.420 nan 0.000 0.239 359 P C -0.062 177.370 177.300 0.220 0.000 1.184 359 P CA 0.610 63.822 63.100 0.186 0.000 0.760 359 P CB 0.454 32.233 31.700 0.132 0.000 0.884 360 A N 0.324 123.325 122.820 0.302 0.000 2.457 360 A HA 0.545 4.865 4.320 0.000 0.000 0.283 360 A C -0.247 177.591 177.584 0.425 0.000 1.166 360 A CA -0.425 51.815 52.037 0.339 0.000 0.740 360 A CB 0.315 19.513 19.000 0.329 0.000 1.181 360 A HN 0.275 nan 8.150 nan 0.000 0.446 361 C N 1.056 120.541 119.300 0.308 0.000 3.166 361 C HA 0.496 4.956 4.460 0.000 0.000 0.277 361 C C -2.992 172.093 174.990 0.158 0.000 0.984 361 C CA -1.421 57.724 59.018 0.212 0.000 1.142 361 C CB -0.091 27.752 27.740 0.172 0.000 1.721 361 C HN 0.586 nan 8.230 nan 0.000 0.628 362 P HA 0.410 nan 4.420 nan 0.000 0.268 362 P C -0.599 176.746 177.300 0.075 0.000 1.204 362 P CA 0.809 63.899 63.100 -0.016 0.000 0.768 362 P CB 0.681 32.441 31.700 0.098 0.000 0.842 363 F N 0.458 120.385 119.950 -0.039 0.000 2.650 363 F HA 0.718 5.245 4.527 0.000 0.000 0.320 363 F C -0.762 174.953 175.800 -0.141 0.000 1.091 363 F CA -1.178 56.771 58.000 -0.085 0.000 0.962 363 F CB 1.682 40.455 39.000 -0.377 0.000 1.363 363 F HN 0.404 nan 8.300 nan 0.000 0.482 364 N N -0.419 118.371 118.700 0.150 0.000 2.710 364 N HA 0.644 5.384 4.740 0.000 0.000 0.257 364 N C -1.369 174.071 175.510 -0.117 0.000 1.327 364 N CA -0.382 52.661 53.050 -0.012 0.000 0.861 364 N CB 1.802 40.264 38.487 -0.042 0.000 1.532 364 N HN 1.114 nan 8.380 nan 0.000 0.499 365 G N -0.639 108.048 108.800 -0.188 0.000 3.214 365 G HA2 0.675 4.635 3.960 0.000 0.000 0.188 365 G HA3 0.675 4.635 3.960 0.000 0.000 0.188 365 G C -1.619 173.231 174.900 -0.082 0.000 1.126 365 G CA -0.689 44.230 45.100 -0.302 0.000 0.796 365 G HN 0.695 nan 8.290 nan 0.000 0.631 366 W N -1.600 119.700 121.300 -0.001 0.000 2.804 366 W HA 0.832 5.492 4.660 0.000 0.000 0.352 366 W C -1.224 175.284 176.519 -0.018 0.000 1.153 366 W CA -1.981 55.374 57.345 0.017 0.000 1.119 366 W CB 0.336 29.843 29.460 0.079 0.000 1.448 366 W HN 0.386 nan 8.180 nan 0.000 0.600 367 Y N 1.738 122.205 120.300 0.279 0.000 2.314 367 Y HA 0.351 4.901 4.550 0.000 0.000 0.334 367 Y C 0.537 176.462 175.900 0.042 0.000 1.266 367 Y CA -0.788 57.349 58.100 0.062 0.000 1.391 367 Y CB 1.256 39.650 38.460 -0.109 0.000 1.306 367 Y HN 0.366 nan 8.280 nan 0.000 0.558 368 M N 1.621 121.345 119.600 0.205 0.000 2.190 368 M HA 0.347 4.827 4.480 0.000 0.000 0.312 368 M C 0.996 177.249 176.300 -0.078 0.000 0.990 368 M CA -0.245 55.094 55.300 0.066 0.000 0.927 368 M CB 1.390 34.015 32.600 0.041 0.000 1.571 368 M HN 0.854 nan 8.290 nan 0.000 0.427 369 G N 1.802 110.507 108.800 -0.158 0.000 2.663 369 G HA2 -0.367 3.593 3.960 0.000 0.000 0.222 369 G HA3 -0.367 3.593 3.960 0.000 0.000 0.222 369 G C 1.132 175.839 174.900 -0.322 0.000 1.146 369 G CA 2.118 47.050 45.100 -0.280 0.000 0.764 369 G HN 0.866 nan 8.290 nan 0.000 0.608 370 T N -0.930 113.436 114.554 -0.313 0.000 2.849 370 T HA -0.056 4.294 4.350 0.000 0.000 0.270 370 T C 1.939 176.448 174.700 -0.318 0.000 1.066 370 T CA 1.694 63.578 62.100 -0.360 0.000 1.130 370 T CB -0.314 68.286 68.868 -0.447 0.000 0.864 370 T HN 0.568 nan 8.240 nan 0.000 0.481 371 E N 0.902 120.943 120.200 -0.265 0.000 2.085 371 E HA -0.064 4.286 4.350 0.000 0.000 0.194 371 E C 2.105 178.429 176.600 -0.459 0.000 0.994 371 E CA 1.499 57.763 56.400 -0.228 0.000 0.801 371 E CB -0.283 29.436 29.700 0.033 0.000 0.743 371 E HN 0.600 nan 8.360 nan 0.000 0.453 372 I N 0.167 120.317 120.570 -0.699 0.000 2.364 372 I HA -0.042 4.128 4.170 0.000 0.000 0.241 372 I C 2.624 178.195 176.117 -0.909 0.000 1.082 372 I CA 0.797 61.400 61.300 -1.162 0.000 1.401 372 I CB -0.576 36.630 38.000 -1.323 0.000 1.126 372 I HN 0.103 nan 8.210 nan 0.000 0.429 373 G N 0.838 109.336 108.800 -0.504 0.000 2.440 373 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 373 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 373 G C 1.587 176.419 174.900 -0.113 0.000 1.154 373 G CA 1.370 46.366 45.100 -0.172 0.000 0.767 373 G HN 0.241 nan 8.290 nan 0.000 0.552 374 V N 0.168 119.954 119.914 -0.212 0.000 2.403 374 V HA 0.076 4.196 4.120 0.000 0.000 0.239 374 V C 2.798 178.804 176.094 -0.147 0.000 1.041 374 V CA 1.011 63.217 62.300 -0.157 0.000 1.051 374 V CB -0.341 31.362 31.823 -0.199 0.000 0.704 374 V HN 0.115 nan 8.190 nan 0.000 0.472 375 R N 0.896 121.269 120.500 -0.212 0.000 2.060 375 R HA -0.043 4.297 4.340 0.000 0.000 0.225 375 R C 2.000 178.203 176.300 -0.162 0.000 1.155 375 R CA 1.605 57.601 56.100 -0.172 0.000 0.930 375 R CB -1.279 28.908 30.300 -0.189 0.000 0.829 375 R HN 0.472 nan 8.270 nan 0.000 0.433 376 D N 0.584 120.773 120.400 -0.352 0.000 2.106 376 D HA -0.157 4.483 4.640 0.000 0.000 0.191 376 D C 1.953 178.141 176.300 -0.187 0.000 0.997 376 D CA 1.259 54.986 54.000 -0.456 0.000 0.834 376 D CB -0.281 39.710 40.800 -1.348 0.000 0.956 376 D HN 0.092 nan 8.370 nan 0.000 0.448 377 F N 0.367 120.155 119.950 -0.271 0.000 2.234 377 F HA 0.001 4.528 4.527 0.000 0.000 0.296 377 F C 2.453 178.275 175.800 0.037 0.000 1.089 377 F CA -0.064 57.880 58.000 -0.092 0.000 1.343 377 F CB -0.677 38.254 39.000 -0.116 0.000 1.040 377 F HN 0.041 nan 8.300 nan 0.000 0.498 378 C N -1.211 118.193 119.300 0.174 0.000 2.912 378 C HA 0.182 4.642 4.460 0.000 0.000 0.274 378 C C 0.453 175.490 174.990 0.079 0.000 1.248 378 C CA -0.785 58.305 59.018 0.119 0.000 1.694 378 C CB -0.810 26.970 27.740 0.066 0.000 2.024 378 C HN 0.088 nan 8.230 nan 0.000 0.605 379 D N 1.764 122.203 120.400 0.065 0.000 2.443 379 D HA 0.069 4.709 4.640 0.000 0.000 0.239 379 D C 1.567 177.913 176.300 0.076 0.000 1.136 379 D CA 0.547 54.575 54.000 0.047 0.000 0.879 379 D CB 0.965 41.788 40.800 0.039 0.000 1.195 379 D HN 0.407 nan 8.370 nan 0.000 0.443 380 T N -0.647 113.940 114.554 0.054 0.000 2.915 380 T HA -0.204 4.146 4.350 0.000 0.000 0.269 380 T C 1.330 176.066 174.700 0.060 0.000 1.071 380 T CA 0.703 62.838 62.100 0.060 0.000 1.132 380 T CB -0.019 68.876 68.868 0.045 0.000 0.878 380 T HN 0.484 nan 8.240 nan 0.000 0.479 381 Q N 0.421 120.255 119.800 0.056 0.000 2.403 381 Q HA 0.167 4.507 4.340 0.000 0.000 0.203 381 Q C 1.003 177.045 176.000 0.071 0.000 0.932 381 Q CA -0.003 55.833 55.803 0.055 0.000 0.945 381 Q CB 0.163 28.930 28.738 0.049 0.000 1.045 381 Q HN 0.379 nan 8.270 nan 0.000 0.511 382 R N -0.322 120.239 120.500 0.101 0.000 2.769 382 R HA 0.255 4.595 4.340 0.000 0.000 0.117 382 R C 1.660 178.041 176.300 0.136 0.000 1.152 382 R CA -0.415 55.780 56.100 0.159 0.000 0.887 382 R CB -1.173 29.276 30.300 0.249 0.000 1.099 382 R HN 0.034 nan 8.270 nan 0.000 0.398 383 Y N 1.441 121.858 120.300 0.195 0.000 2.242 383 Y HA -0.134 4.416 4.550 0.000 0.000 0.291 383 Y C 0.805 176.788 175.900 0.139 0.000 1.137 383 Y CA 1.479 59.700 58.100 0.201 0.000 1.181 383 Y CB -0.244 38.417 38.460 0.334 0.000 0.989 383 Y HN 0.477 nan 8.280 nan 0.000 0.527 384 N N -0.053 118.805 118.700 0.262 0.000 2.738 384 N HA -0.208 4.532 4.740 0.000 0.000 0.249 384 N C 0.223 175.838 175.510 0.175 0.000 1.047 384 N CA 0.786 53.941 53.050 0.175 0.000 0.707 384 N CB -1.524 37.034 38.487 0.119 0.000 0.937 384 N HN 0.638 nan 8.380 nan 0.000 0.545 385 I N -3.268 117.420 120.570 0.197 0.000 3.812 385 I HA 0.120 4.290 4.170 0.000 0.000 0.320 385 I C 1.674 177.899 176.117 0.179 0.000 1.276 385 I CA -0.393 61.001 61.300 0.156 0.000 1.164 385 I CB -0.110 37.940 38.000 0.084 0.000 1.009 385 I HN 0.186 nan 8.210 nan 0.000 0.431 386 L N 1.358 122.700 121.223 0.198 0.000 1.970 386 L HA -0.222 4.118 4.340 0.000 0.000 0.212 386 L C 2.697 179.804 176.870 0.395 0.000 1.071 386 L CA 2.307 57.301 54.840 0.256 0.000 0.751 386 L CB -0.340 41.823 42.059 0.174 0.000 0.889 386 L HN 0.506 nan 8.230 nan 0.000 0.432 387 E N -0.016 120.402 120.200 0.363 0.000 2.038 387 E HA -0.338 4.012 4.350 0.000 0.000 0.195 387 E C 1.964 178.626 176.600 0.102 0.000 1.000 387 E CA 1.835 58.381 56.400 0.244 0.000 0.803 387 E CB -0.025 29.749 29.700 0.123 0.000 0.750 387 E HN 0.332 nan 8.360 nan 0.000 0.448 388 E N 0.041 120.306 120.200 0.107 0.000 2.130 388 E HA -0.168 4.182 4.350 0.000 0.000 0.196 388 E C 1.921 178.593 176.600 0.120 0.000 0.998 388 E CA 1.434 57.879 56.400 0.075 0.000 0.806 388 E CB -0.148 29.600 29.700 0.081 0.000 0.738 388 E HN 0.217 nan 8.360 nan 0.000 0.459 389 V N -0.302 119.749 119.914 0.229 0.000 2.453 389 V HA -0.068 4.052 4.120 0.000 0.000 0.247 389 V C 2.242 178.522 176.094 0.310 0.000 1.048 389 V CA 1.686 64.212 62.300 0.376 0.000 1.049 389 V CB -0.765 31.319 31.823 0.435 0.000 0.672 389 V HN 0.475 nan 8.190 nan 0.000 0.457 390 G N -0.292 108.670 108.800 0.271 0.000 2.408 390 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 390 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 390 G C 1.680 176.564 174.900 -0.027 0.000 1.150 390 G CA 0.792 46.018 45.100 0.210 0.000 0.776 390 G HN 0.372 nan 8.290 nan 0.000 0.542 391 R N 0.490 120.930 120.500 -0.100 0.000 2.080 391 R HA 0.039 4.380 4.340 0.000 0.000 0.236 391 R C 2.612 178.788 176.300 -0.207 0.000 1.137 391 R CA 1.337 57.339 56.100 -0.164 0.000 0.943 391 R CB -0.344 29.876 30.300 -0.132 0.000 0.846 391 R HN 0.253 nan 8.270 nan 0.000 0.431 392 R N -0.681 119.642 120.500 -0.295 0.000 2.280 392 R HA 0.032 4.372 4.340 0.000 0.000 0.207 392 R C 1.708 177.580 176.300 -0.714 0.000 1.043 392 R CA 0.930 56.615 56.100 -0.693 0.000 1.006 392 R CB -0.020 29.568 30.300 -1.187 0.000 0.885 392 R HN 0.302 nan 8.270 nan 0.000 0.467 393 M N -1.055 118.423 119.600 -0.204 0.000 2.502 393 M HA 0.112 4.592 4.480 0.000 0.000 0.243 393 M C 1.143 177.440 176.300 -0.006 0.000 1.130 393 M CA 0.629 55.978 55.300 0.082 0.000 1.055 393 M CB 0.857 33.650 32.600 0.322 0.000 1.457 393 M HN 0.454 nan 8.290 nan 0.000 0.488 394 G N 1.142 109.884 108.800 -0.096 0.000 2.363 394 G HA2 -0.272 3.688 3.960 0.000 0.000 0.238 394 G HA3 -0.272 3.688 3.960 0.000 0.000 0.238 394 G C 0.294 175.160 174.900 -0.057 0.000 1.062 394 G CA -0.085 44.964 45.100 -0.084 0.000 0.629 394 G HN 0.390 nan 8.290 nan 0.000 0.514 395 L N 1.153 122.371 121.223 -0.009 0.000 2.621 395 L HA 0.035 4.375 4.340 0.000 0.000 0.313 395 L C 0.944 177.755 176.870 -0.098 0.000 1.277 395 L CA 0.689 55.536 54.840 0.011 0.000 0.857 395 L CB 0.131 42.264 42.059 0.124 0.000 1.093 395 L HN 0.349 nan 8.230 nan 0.000 0.527 396 E N 1.156 121.321 120.200 -0.058 0.000 1.774 396 E HA -0.022 4.328 4.350 0.000 0.000 0.265 396 E C 0.708 177.062 176.600 -0.409 0.000 1.207 396 E CA -0.131 56.203 56.400 -0.109 0.000 1.054 396 E CB 0.035 29.745 29.700 0.016 0.000 1.074 396 E HN 0.562 nan 8.360 nan 0.000 0.433 397 T N 0.933 115.094 114.554 -0.654 0.000 2.977 397 T HA -0.126 4.224 4.350 0.000 0.000 0.271 397 T C 0.957 175.148 174.700 -0.848 0.000 1.105 397 T CA 0.874 62.180 62.100 -1.323 0.000 1.116 397 T CB -0.050 68.211 68.868 -1.013 0.000 0.878 397 T HN 0.520 nan 8.240 nan 0.000 0.509 398 H N 0.184 119.070 119.070 -0.306 0.000 2.529 398 H HA 0.230 4.786 4.556 0.000 0.000 0.277 398 H C 0.009 175.353 175.328 0.027 0.000 1.004 398 H CA 0.290 56.283 56.048 -0.091 0.000 1.167 398 H CB 0.571 30.287 29.762 -0.076 0.000 1.445 398 H HN 0.156 nan 8.280 nan 0.000 0.554 399 T N 2.590 117.238 114.554 0.157 0.000 2.963 399 T HA 0.095 4.445 4.350 0.000 0.000 0.328 399 T C 1.133 176.031 174.700 0.329 0.000 1.048 399 T CA -0.475 61.747 62.100 0.203 0.000 1.033 399 T CB 1.463 70.414 68.868 0.139 0.000 1.010 399 T HN -0.014 nan 8.240 nan 0.000 0.469 400 L N 2.271 123.668 121.223 0.290 0.000 2.013 400 L HA -0.123 4.217 4.340 0.000 0.000 0.212 400 L C 2.759 179.716 176.870 0.144 0.000 1.073 400 L CA 2.120 57.091 54.840 0.218 0.000 0.753 400 L CB -1.536 40.589 42.059 0.111 0.000 0.890 400 L HN 0.770 nan 8.230 nan 0.000 0.432 401 A N -0.313 122.581 122.820 0.124 0.000 2.084 401 A HA -0.219 4.101 4.320 0.000 0.000 0.221 401 A C 2.455 180.102 177.584 0.106 0.000 1.161 401 A CA 1.803 53.893 52.037 0.090 0.000 0.653 401 A CB -0.627 18.418 19.000 0.075 0.000 0.802 401 A HN 0.621 nan 8.150 nan 0.000 0.457 402 S N -0.618 115.183 115.700 0.168 0.000 2.447 402 S HA 0.005 4.475 4.470 0.000 0.000 0.233 402 S C 0.924 175.625 174.600 0.167 0.000 1.006 402 S CA 0.905 59.212 58.200 0.180 0.000 0.957 402 S CB -0.698 62.647 63.200 0.241 0.000 0.773 402 S HN 0.985 nan 8.310 nan 0.000 0.507 403 L N 0.268 121.569 121.223 0.131 0.000 3.898 403 L HA -0.155 4.185 4.340 0.000 0.000 0.407 403 L C 1.538 178.448 176.870 0.066 0.000 1.207 403 L CA 0.660 55.518 54.840 0.030 0.000 0.931 403 L CB -2.733 39.345 42.059 0.032 0.000 2.014 403 L HN 0.742 nan 8.230 nan 0.000 0.858 404 W N 0.315 121.638 121.300 0.038 0.000 2.363 404 W HA -0.137 4.523 4.660 0.000 0.000 0.296 404 W C 1.709 178.257 176.519 0.048 0.000 1.212 404 W CA 1.382 58.754 57.345 0.045 0.000 1.260 404 W CB -0.786 28.698 29.460 0.040 0.000 1.131 404 W HN 0.265 nan 8.180 nan 0.000 0.530 405 K N 1.024 121.020 120.400 -0.674 0.000 2.103 405 K HA -0.178 4.142 4.320 0.000 0.000 0.207 405 K C 1.463 177.926 176.600 -0.229 0.000 1.048 405 K CA 2.361 58.245 56.287 -0.672 0.000 0.930 405 K CB -0.388 31.558 32.500 -0.925 0.000 0.716 405 K HN 0.092 nan 8.250 nan 0.000 0.444 406 D N 0.091 120.397 120.400 -0.157 0.000 2.144 406 D HA -0.086 4.554 4.640 0.000 0.000 0.200 406 D C 1.938 178.242 176.300 0.007 0.000 0.978 406 D CA 0.962 54.925 54.000 -0.060 0.000 0.833 406 D CB 0.069 40.847 40.800 -0.037 0.000 0.961 406 D HN 0.097 nan 8.370 nan 0.000 0.470 407 R N 0.346 120.881 120.500 0.057 0.000 2.062 407 R HA 0.070 4.410 4.340 0.000 0.000 0.229 407 R C 2.246 178.617 176.300 0.118 0.000 1.128 407 R CA 1.083 57.246 56.100 0.105 0.000 0.960 407 R CB -0.219 30.176 30.300 0.157 0.000 0.855 407 R HN 0.129 nan 8.270 nan 0.000 0.432 408 A N 0.500 123.417 122.820 0.162 0.000 1.851 408 A HA -0.170 4.150 4.320 0.000 0.000 0.216 408 A C 2.226 179.875 177.584 0.109 0.000 1.195 408 A CA 1.725 53.877 52.037 0.192 0.000 0.622 408 A CB -1.075 18.100 19.000 0.291 0.000 0.831 408 A HN 0.227 nan 8.150 nan 0.000 0.444 409 V N 0.177 120.127 119.914 0.059 0.000 2.568 409 V HA -0.227 3.893 4.120 0.000 0.000 0.253 409 V C 2.489 178.584 176.094 0.000 0.000 1.072 409 V CA 2.982 65.296 62.300 0.024 0.000 1.084 409 V CB -0.942 30.867 31.823 -0.023 0.000 0.676 409 V HN 0.689 nan 8.190 nan 0.000 0.469 410 T N -0.296 114.262 114.554 0.007 0.000 2.777 410 T HA -0.111 4.239 4.350 0.000 0.000 0.266 410 T C 1.781 176.454 174.700 -0.043 0.000 1.040 410 T CA 1.437 63.538 62.100 0.000 0.000 1.141 410 T CB -0.231 68.652 68.868 0.025 0.000 0.868 410 T HN 0.511 nan 8.240 nan 0.000 0.444 411 E N 1.042 121.212 120.200 -0.050 0.000 2.106 411 E HA 0.038 4.388 4.350 0.000 0.000 0.192 411 E C 2.243 178.672 176.600 -0.286 0.000 0.984 411 E CA 0.617 56.931 56.400 -0.145 0.000 0.806 411 E CB -0.380 29.218 29.700 -0.169 0.000 0.750 411 E HN 0.524 nan 8.360 nan 0.000 0.458 412 I N 1.538 122.030 120.570 -0.129 0.000 2.286 412 I HA -0.242 3.928 4.170 0.000 0.000 0.248 412 I C 2.097 178.176 176.117 -0.064 0.000 1.115 412 I CA 0.744 62.018 61.300 -0.044 0.000 1.392 412 I CB -0.296 37.798 38.000 0.156 0.000 1.065 412 I HN 0.032 nan 8.210 nan 0.000 0.418 413 N N 0.740 119.394 118.700 -0.077 0.000 2.166 413 N HA -0.132 4.608 4.740 0.000 0.000 0.186 413 N C 1.967 177.410 175.510 -0.111 0.000 1.019 413 N CA 1.801 54.799 53.050 -0.086 0.000 0.856 413 N CB -0.159 38.289 38.487 -0.065 0.000 0.993 413 N HN 0.387 nan 8.380 nan 0.000 0.426 414 V N -1.416 118.387 119.914 -0.185 0.000 2.719 414 V HA 0.130 4.250 4.120 0.000 0.000 0.252 414 V C 2.216 178.127 176.094 -0.305 0.000 1.065 414 V CA 1.390 63.552 62.300 -0.229 0.000 1.086 414 V CB -0.869 30.779 31.823 -0.292 0.000 0.700 414 V HN 0.140 nan 8.190 nan 0.000 0.467 415 A N 0.806 123.365 122.820 -0.435 0.000 1.855 415 A HA -0.058 4.262 4.320 0.000 0.000 0.215 415 A C 2.389 179.967 177.584 -0.011 0.000 1.191 415 A CA 2.158 53.969 52.037 -0.376 0.000 0.613 415 A CB -0.990 17.624 19.000 -0.644 0.000 0.829 415 A HN 0.404 nan 8.150 nan 0.000 0.442 416 V N -0.214 119.728 119.914 0.046 0.000 2.252 416 V HA -0.286 3.834 4.120 0.000 0.000 0.249 416 V C 2.578 178.741 176.094 0.115 0.000 1.056 416 V CA 2.228 64.608 62.300 0.132 0.000 1.022 416 V CB -0.810 31.001 31.823 -0.020 0.000 0.641 416 V HN 0.501 nan 8.190 nan 0.000 0.445 417 L N -0.631 120.592 121.223 0.001 0.000 2.046 417 L HA -0.194 4.146 4.340 0.000 0.000 0.208 417 L C 2.454 179.374 176.870 0.083 0.000 1.077 417 L CA 2.193 57.040 54.840 0.011 0.000 0.747 417 L CB -1.115 40.939 42.059 -0.009 0.000 0.896 417 L HN 0.494 nan 8.230 nan 0.000 0.432 418 H N -1.238 117.813 119.070 -0.032 0.000 2.326 418 H HA -0.118 4.438 4.556 0.000 0.000 0.301 418 H C 2.177 177.522 175.328 0.029 0.000 1.081 418 H CA 1.585 57.612 56.048 -0.034 0.000 1.334 418 H CB 0.458 30.146 29.762 -0.123 0.000 1.385 418 H HN 0.297 nan 8.280 nan 0.000 0.504 419 S N 0.472 116.162 115.700 -0.017 0.000 2.353 419 S HA -0.163 4.307 4.470 0.000 0.000 0.222 419 S C 1.982 176.555 174.600 -0.045 0.000 1.035 419 S CA 1.573 59.745 58.200 -0.047 0.000 1.025 419 S CB -0.639 62.618 63.200 0.096 0.000 0.902 419 S HN 0.308 nan 8.310 nan 0.000 0.440 420 F N 1.557 121.456 119.950 -0.085 0.000 2.171 420 F HA -0.122 4.405 4.527 0.000 0.000 0.300 420 F C 2.727 178.475 175.800 -0.086 0.000 1.090 420 F CA 1.297 59.258 58.000 -0.064 0.000 1.293 420 F CB -0.607 38.370 39.000 -0.038 0.000 1.013 420 F HN 0.184 nan 8.300 nan 0.000 0.486 421 Q N 0.430 120.274 119.800 0.073 0.000 2.079 421 Q HA -0.185 4.155 4.340 0.000 0.000 0.200 421 Q C 2.248 178.199 176.000 -0.081 0.000 0.974 421 Q CA 1.667 57.465 55.803 -0.009 0.000 0.840 421 Q CB -0.107 28.622 28.738 -0.014 0.000 0.898 421 Q HN 0.298 nan 8.270 nan 0.000 0.430 422 K N -0.147 120.143 120.400 -0.183 0.000 1.984 422 K HA -0.149 4.171 4.320 0.000 0.000 0.209 422 K C 1.674 178.201 176.600 -0.121 0.000 1.046 422 K CA 1.627 57.797 56.287 -0.196 0.000 0.934 422 K CB 0.040 32.340 32.500 -0.333 0.000 0.717 422 K HN 0.241 nan 8.250 nan 0.000 0.438 423 Q N 0.760 120.482 119.800 -0.129 0.000 2.491 423 Q HA 0.030 4.370 4.340 0.000 0.000 0.214 423 Q C -0.485 175.463 176.000 -0.086 0.000 0.970 423 Q CA 0.033 55.769 55.803 -0.113 0.000 0.960 423 Q CB -0.008 28.636 28.738 -0.157 0.000 0.996 423 Q HN 0.309 nan 8.270 nan 0.000 0.524 424 N N 0.030 118.692 118.700 -0.063 0.000 2.727 424 N HA -0.159 4.581 4.740 0.000 0.000 0.249 424 N C -1.341 174.152 175.510 -0.027 0.000 1.048 424 N CA 0.446 53.471 53.050 -0.041 0.000 0.714 424 N CB -0.846 37.616 38.487 -0.042 0.000 0.959 424 N HN 0.033 nan 8.380 nan 0.000 0.544 425 V N 1.226 121.140 119.914 0.000 0.000 2.370 425 V HA 0.195 4.315 4.120 0.000 0.000 0.283 425 V C 0.917 177.115 176.094 0.172 0.000 1.023 425 V CA -0.546 61.793 62.300 0.065 0.000 0.857 425 V CB 1.856 33.675 31.823 -0.007 0.000 0.985 425 V HN 0.121 nan 8.190 nan 0.000 0.443 426 T N 6.580 121.181 114.554 0.078 0.000 2.933 426 T HA 0.346 4.696 4.350 0.000 0.000 0.306 426 T C -0.215 174.524 174.700 0.065 0.000 1.045 426 T CA 0.976 63.046 62.100 -0.049 0.000 1.143 426 T CB 0.030 68.743 68.868 -0.258 0.000 1.003 426 T HN 0.581 nan 8.240 nan 0.000 0.540 427 I N 2.308 122.842 120.570 -0.059 0.000 2.842 427 I HA 0.507 4.677 4.170 0.000 0.000 0.296 427 I C -1.668 174.439 176.117 -0.016 0.000 1.538 427 I CA -0.967 60.317 61.300 -0.027 0.000 0.994 427 I CB 2.012 39.887 38.000 -0.209 0.000 1.372 427 I HN 0.631 nan 8.210 nan 0.000 0.478 428 M N 6.133 125.786 119.600 0.088 0.000 2.393 428 M HA 0.395 4.875 4.480 0.000 0.000 0.299 428 M C -1.589 174.766 176.300 0.091 0.000 1.103 428 M CA -0.619 54.752 55.300 0.119 0.000 0.910 428 M CB 1.781 34.544 32.600 0.271 0.000 1.659 428 M HN 0.566 nan 8.290 nan 0.000 0.445 429 D N 3.003 123.459 120.400 0.094 0.000 2.312 429 D HA 0.090 4.730 4.640 0.000 0.000 0.248 429 D C 0.698 177.094 176.300 0.161 0.000 1.086 429 D CA -0.244 53.845 54.000 0.148 0.000 0.948 429 D CB 0.618 41.502 40.800 0.141 0.000 1.162 429 D HN 0.830 nan 8.370 nan 0.000 0.446 430 H N 0.871 119.884 119.070 -0.095 0.000 2.387 430 H HA -0.186 4.371 4.556 0.000 0.000 0.299 430 H C 1.412 176.636 175.328 -0.175 0.000 1.099 430 H CA 1.474 57.420 56.048 -0.169 0.000 1.315 430 H CB -0.969 28.632 29.762 -0.268 0.000 1.380 430 H HN 0.549 nan 8.280 nan 0.000 0.513 431 H N 0.777 119.686 119.070 -0.269 0.000 2.293 431 H HA -0.051 4.505 4.556 0.000 0.000 0.300 431 H C 2.078 177.385 175.328 -0.035 0.000 1.082 431 H CA 2.034 57.980 56.048 -0.171 0.000 1.308 431 H CB -0.414 29.214 29.762 -0.223 0.000 1.375 431 H HN 0.418 nan 8.280 nan 0.000 0.495 432 T N 1.263 115.882 114.554 0.109 0.000 2.746 432 T HA -0.089 4.261 4.350 0.000 0.000 0.267 432 T C 2.368 177.138 174.700 0.117 0.000 1.039 432 T CA 1.140 63.301 62.100 0.101 0.000 1.142 432 T CB -0.433 68.490 68.868 0.092 0.000 0.866 432 T HN 0.437 nan 8.240 nan 0.000 0.444 433 A N 1.629 124.520 122.820 0.118 0.000 1.883 433 A HA -0.120 4.200 4.320 0.000 0.000 0.217 433 A C 2.626 180.301 177.584 0.152 0.000 1.186 433 A CA 2.028 54.148 52.037 0.138 0.000 0.624 433 A CB -0.925 18.144 19.000 0.115 0.000 0.822 433 A HN 0.456 nan 8.150 nan 0.000 0.444 434 S N -0.250 115.521 115.700 0.118 0.000 2.368 434 S HA -0.157 4.313 4.470 0.000 0.000 0.225 434 S C 1.830 176.541 174.600 0.184 0.000 1.030 434 S CA 1.433 59.721 58.200 0.147 0.000 0.999 434 S CB -0.327 62.923 63.200 0.084 0.000 0.844 434 S HN 0.694 nan 8.310 nan 0.000 0.459 435 E N 1.304 121.588 120.200 0.139 0.000 2.077 435 E HA -0.123 4.227 4.350 0.000 0.000 0.193 435 E C 2.457 179.129 176.600 0.119 0.000 0.989 435 E CA 1.439 57.910 56.400 0.117 0.000 0.800 435 E CB -0.215 29.539 29.700 0.089 0.000 0.746 435 E HN 0.643 nan 8.360 nan 0.000 0.452 436 S N 0.748 116.532 115.700 0.140 0.000 2.383 436 S HA -0.162 4.308 4.470 0.000 0.000 0.227 436 S C 1.929 176.626 174.600 0.162 0.000 1.026 436 S CA 0.558 58.840 58.200 0.137 0.000 0.981 436 S CB -0.522 62.766 63.200 0.147 0.000 0.818 436 S HN 0.280 nan 8.310 nan 0.000 0.472 437 F N 2.351 122.358 119.950 0.094 0.000 2.171 437 F HA 0.034 4.561 4.527 0.000 0.000 0.300 437 F C 2.312 178.193 175.800 0.135 0.000 1.090 437 F CA 1.297 59.369 58.000 0.121 0.000 1.293 437 F CB -0.371 38.679 39.000 0.083 0.000 1.013 437 F HN 0.089 nan 8.300 nan 0.000 0.486 438 M N 0.116 119.745 119.600 0.047 0.000 2.159 438 M HA -0.188 4.292 4.480 0.000 0.000 0.263 438 M C 2.202 178.449 176.300 -0.088 0.000 1.063 438 M CA 1.591 56.872 55.300 -0.031 0.000 1.110 438 M CB -1.137 31.503 32.600 0.067 0.000 1.374 438 M HN 0.105 nan 8.290 nan 0.000 0.411 439 K N -0.463 119.921 120.400 -0.028 0.000 2.103 439 K HA -0.179 4.141 4.320 0.000 0.000 0.204 439 K C 1.933 178.507 176.600 -0.043 0.000 1.052 439 K CA 1.565 57.840 56.287 -0.020 0.000 0.945 439 K CB -0.506 32.009 32.500 0.025 0.000 0.722 439 K HN 0.361 nan 8.250 nan 0.000 0.443 440 H N -0.216 118.754 119.070 -0.167 0.000 2.357 440 H HA 0.007 4.563 4.556 0.000 0.000 0.301 440 H C 1.936 177.100 175.328 -0.273 0.000 1.082 440 H CA 2.320 58.248 56.048 -0.199 0.000 1.342 440 H CB -0.109 29.512 29.762 -0.235 0.000 1.389 440 H HN 0.214 nan 8.280 nan 0.000 0.511 441 M N -0.095 119.160 119.600 -0.575 0.000 2.117 441 M HA -0.217 4.263 4.480 0.000 0.000 0.262 441 M C 2.111 178.308 176.300 -0.173 0.000 1.065 441 M CA 1.927 56.938 55.300 -0.480 0.000 1.114 441 M CB 0.007 32.349 32.600 -0.430 0.000 1.361 441 M HN 0.461 nan 8.290 nan 0.000 0.408 442 Q N -0.153 119.555 119.800 -0.153 0.000 2.079 442 Q HA -0.155 4.185 4.340 0.000 0.000 0.200 442 Q C 1.668 177.629 176.000 -0.066 0.000 0.974 442 Q CA 1.509 57.264 55.803 -0.081 0.000 0.840 442 Q CB -0.220 28.469 28.738 -0.083 0.000 0.898 442 Q HN 0.542 nan 8.270 nan 0.000 0.430 443 N N 0.613 119.248 118.700 -0.109 0.000 2.166 443 N HA -0.170 4.570 4.740 0.000 0.000 0.186 443 N C 1.549 176.982 175.510 -0.128 0.000 1.019 443 N CA 1.091 54.091 53.050 -0.083 0.000 0.856 443 N CB -0.088 38.372 38.487 -0.044 0.000 0.993 443 N HN 0.212 nan 8.380 nan 0.000 0.426 444 E N -0.022 120.024 120.200 -0.257 0.000 2.072 444 E HA -0.075 4.275 4.350 0.000 0.000 0.191 444 E C 1.524 177.971 176.600 -0.256 0.000 0.985 444 E CA 0.949 57.149 56.400 -0.332 0.000 0.801 444 E CB -0.200 29.161 29.700 -0.565 0.000 0.750 444 E HN 0.390 nan 8.360 nan 0.000 0.452 445 Y N 0.014 120.203 120.300 -0.185 0.000 2.242 445 Y HA -0.066 4.484 4.550 0.000 0.000 0.291 445 Y C 2.476 178.317 175.900 -0.098 0.000 1.137 445 Y CA 1.498 59.522 58.100 -0.126 0.000 1.181 445 Y CB -0.081 38.302 38.460 -0.129 0.000 0.989 445 Y HN -0.037 nan 8.280 nan 0.000 0.527 446 R N -0.067 120.452 120.500 0.033 0.000 2.066 446 R HA -0.156 4.185 4.340 0.000 0.000 0.232 446 R C 2.389 178.674 176.300 -0.025 0.000 1.131 446 R CA 1.208 57.308 56.100 0.001 0.000 0.955 446 R CB -0.416 29.878 30.300 -0.010 0.000 0.851 446 R HN 0.315 nan 8.270 nan 0.000 0.432 447 A N 1.510 124.298 122.820 -0.052 0.000 1.858 447 A HA -0.180 4.140 4.320 0.000 0.000 0.216 447 A C 1.730 179.269 177.584 -0.075 0.000 1.190 447 A CA 1.834 53.837 52.037 -0.058 0.000 0.617 447 A CB -0.222 18.737 19.000 -0.068 0.000 0.827 447 A HN 0.546 nan 8.150 nan 0.000 0.443 448 R N -2.703 117.721 120.500 -0.127 0.000 2.592 448 R HA 0.407 4.747 4.340 0.000 0.000 0.439 448 R C 0.710 176.924 176.300 -0.143 0.000 0.995 448 R CA 0.462 56.488 56.100 -0.123 0.000 1.141 448 R CB -0.638 29.578 30.300 -0.139 0.000 1.495 448 R HN 0.960 nan 8.270 nan 0.000 0.579 449 G N -0.043 108.665 108.800 -0.153 0.000 2.198 449 G HA2 -0.114 3.846 3.960 0.000 0.000 0.260 449 G HA3 -0.114 3.846 3.960 0.000 0.000 0.260 449 G C 0.245 174.918 174.900 -0.378 0.000 1.025 449 G CA 0.202 45.219 45.100 -0.137 0.000 0.769 449 G HN 0.986 nan 8.290 nan 0.000 0.507 450 G N -2.618 105.670 108.800 -0.854 0.000 2.325 450 G HA2 0.563 4.523 3.960 0.000 0.000 0.297 450 G HA3 0.563 4.523 3.960 0.000 0.000 0.297 450 G C -0.926 173.506 174.900 -0.780 0.000 1.448 450 G CA 0.271 44.717 45.100 -1.090 0.000 0.838 450 G HN 1.859 nan 8.290 nan 0.000 0.579 451 C N 2.239 121.285 119.300 -0.424 0.000 2.968 451 C HA 0.633 5.093 4.460 0.000 0.000 0.389 451 C C -2.595 172.298 174.990 -0.162 0.000 1.068 451 C CA -1.105 57.777 59.018 -0.227 0.000 1.272 451 C CB 1.033 28.663 27.740 -0.183 0.000 1.711 451 C HN 0.693 nan 8.230 nan 0.000 0.501 452 P HA 0.398 nan 4.420 nan 0.000 0.267 452 P C -0.614 176.535 177.300 -0.251 0.000 1.205 452 P CA 0.642 63.241 63.100 -0.836 0.000 0.765 452 P CB 1.089 32.145 31.700 -1.072 0.000 0.828 453 A N 2.622 125.373 122.820 -0.115 0.000 2.488 453 A HA 0.420 4.740 4.320 0.000 0.000 0.298 453 A C -1.158 176.475 177.584 0.082 0.000 1.044 453 A CA -0.547 51.528 52.037 0.064 0.000 0.693 453 A CB 1.292 20.450 19.000 0.263 0.000 1.272 453 A HN 0.442 nan 8.150 nan 0.000 0.402 454 D N 2.003 122.452 120.400 0.082 0.000 2.443 454 D HA 0.168 4.808 4.640 0.000 0.000 0.221 454 D C 0.828 177.269 176.300 0.235 0.000 1.097 454 D CA -0.526 53.577 54.000 0.171 0.000 0.865 454 D CB 0.382 41.259 40.800 0.128 0.000 1.034 454 D HN 0.591 nan 8.370 nan 0.000 0.511 455 W N 4.592 125.940 121.300 0.079 0.000 2.304 455 W HA -0.240 4.420 4.660 0.000 0.000 0.315 455 W C 1.737 178.298 176.519 0.070 0.000 1.233 455 W CA 1.322 58.699 57.345 0.053 0.000 1.261 455 W CB -0.092 29.381 29.460 0.022 0.000 1.150 455 W HN 0.479 nan 8.180 nan 0.000 0.494 456 I N -1.000 119.907 120.570 0.563 0.000 2.423 456 I HA -0.307 3.863 4.170 0.000 0.000 0.254 456 I C 1.709 177.968 176.117 0.237 0.000 1.151 456 I CA 1.448 63.014 61.300 0.443 0.000 1.421 456 I CB -0.644 37.621 38.000 0.442 0.000 1.079 456 I HN 0.145 nan 8.210 nan 0.000 0.431 457 W N 0.054 121.357 121.300 0.005 0.000 2.683 457 W HA 0.160 4.820 4.660 0.000 0.000 0.267 457 W C 2.220 178.646 176.519 -0.155 0.000 1.243 457 W CA 0.114 57.428 57.345 -0.051 0.000 1.380 457 W CB -0.326 29.126 29.460 -0.013 0.000 1.063 457 W HN -0.079 nan 8.180 nan 0.000 0.599 458 L N -0.148 121.057 121.223 -0.029 0.000 2.217 458 L HA -0.018 4.322 4.340 0.000 0.000 0.211 458 L C 0.569 177.253 176.870 -0.309 0.000 1.107 458 L CA 0.429 55.121 54.840 -0.246 0.000 0.783 458 L CB -0.816 41.007 42.059 -0.394 0.000 0.919 458 L HN -0.392 nan 8.230 nan 0.000 0.442 459 V N 1.368 121.031 119.914 -0.418 0.000 2.455 459 V HA 0.159 4.279 4.120 0.000 0.000 0.273 459 V C -1.900 174.034 176.094 -0.267 0.000 1.045 459 V CA -1.454 60.576 62.300 -0.449 0.000 0.976 459 V CB 0.602 31.905 31.823 -0.865 0.000 0.993 459 V HN 0.021 nan 8.190 nan 0.000 0.475 460 P HA 0.053 nan 4.420 nan 0.000 0.265 460 P C -1.797 175.405 177.300 -0.163 0.000 1.187 460 P CA -0.830 62.172 63.100 -0.163 0.000 0.766 460 P CB 0.092 31.738 31.700 -0.090 0.000 0.820 461 P HA -0.028 nan 4.420 nan 0.000 0.239 461 P C -0.165 177.051 177.300 -0.140 0.000 1.184 461 P CA 1.010 64.008 63.100 -0.170 0.000 0.760 461 P CB 0.428 32.006 31.700 -0.203 0.000 0.884 462 V N -0.885 118.942 119.914 -0.145 0.000 2.969 462 V HA 0.190 4.310 4.120 0.000 0.000 0.304 462 V C 0.141 176.235 176.094 -0.001 0.000 1.192 462 V CA -0.457 61.788 62.300 -0.092 0.000 0.962 462 V CB 1.918 33.648 31.823 -0.156 0.000 1.045 462 V HN -0.009 nan 8.190 nan 0.000 0.428 463 S N 2.572 118.287 115.700 0.025 0.000 3.698 463 S HA -0.181 4.289 4.470 0.000 0.000 0.338 463 S C 1.461 176.055 174.600 -0.010 0.000 1.089 463 S CA 0.969 59.195 58.200 0.043 0.000 0.991 463 S CB -1.335 61.946 63.200 0.135 0.000 0.909 463 S HN 1.592 nan 8.310 nan 0.000 0.485 464 G N 2.728 111.510 108.800 -0.029 0.000 2.777 464 G HA2 -0.333 3.627 3.960 0.000 0.000 0.217 464 G HA3 -0.333 3.627 3.960 0.000 0.000 0.217 464 G C 1.538 176.280 174.900 -0.264 0.000 1.295 464 G CA 1.823 46.913 45.100 -0.017 0.000 0.800 464 G HN 1.356 nan 8.290 nan 0.000 0.637 465 S N 0.398 115.572 115.700 -0.876 0.000 2.440 465 S HA -0.073 4.397 4.470 0.000 0.000 0.238 465 S C 2.155 176.659 174.600 -0.159 0.000 1.010 465 S CA 1.230 58.768 58.200 -1.104 0.000 0.972 465 S CB -0.210 62.285 63.200 -1.176 0.000 0.774 465 S HN 0.220 nan 8.310 nan 0.000 0.501 466 I N 1.765 122.287 120.570 -0.081 0.000 2.830 466 I HA 0.041 4.211 4.170 0.000 0.000 0.263 466 I C 0.977 177.169 176.117 0.126 0.000 1.230 466 I CA 0.640 61.972 61.300 0.054 0.000 1.480 466 I CB -1.944 36.113 38.000 0.094 0.000 1.095 466 I HN 0.272 nan 8.210 nan 0.000 0.455 467 T N 2.592 117.206 114.554 0.099 0.000 2.882 467 T HA 0.198 4.548 4.350 0.000 0.000 0.287 467 T C -1.453 173.390 174.700 0.239 0.000 0.992 467 T CA -1.010 61.166 62.100 0.127 0.000 1.076 467 T CB 2.199 71.087 68.868 0.035 0.000 0.961 467 T HN -0.056 nan 8.240 nan 0.000 0.490 468 P HA -0.082 nan 4.420 nan 0.000 0.219 468 P C 1.728 179.213 177.300 0.309 0.000 1.150 468 P CA 0.555 63.823 63.100 0.280 0.000 0.814 468 P CB -0.155 31.652 31.700 0.180 0.000 0.787 469 V N -3.240 116.804 119.914 0.217 0.000 2.490 469 V HA -0.242 3.878 4.120 0.000 0.000 0.250 469 V C 2.094 178.260 176.094 0.121 0.000 1.061 469 V CA 1.482 63.881 62.300 0.164 0.000 1.064 469 V CB -2.061 29.795 31.823 0.056 0.000 0.670 469 V HN -0.047 nan 8.190 nan 0.000 0.461 470 F N 1.981 121.887 119.950 -0.073 0.000 2.161 470 F HA -0.155 4.372 4.527 0.000 0.000 0.300 470 F C 2.398 178.304 175.800 0.176 0.000 1.089 470 F CA 2.255 60.219 58.000 -0.061 0.000 1.282 470 F CB -0.387 38.497 39.000 -0.193 0.000 1.010 470 F HN 0.316 nan 8.300 nan 0.000 0.485 471 H N -1.123 118.314 119.070 0.613 0.000 2.539 471 H HA 0.109 4.665 4.556 0.000 0.000 0.267 471 H C 0.311 175.895 175.328 0.426 0.000 0.982 471 H CA 0.219 56.586 56.048 0.531 0.000 1.146 471 H CB -0.072 29.949 29.762 0.432 0.000 1.382 471 H HN 0.240 nan 8.280 nan 0.000 0.577 472 Q N 2.040 122.106 119.800 0.445 0.000 2.340 472 Q HA 0.150 4.490 4.340 0.000 0.000 0.259 472 Q C -0.620 175.594 176.000 0.356 0.000 0.964 472 Q CA -0.381 55.616 55.803 0.323 0.000 0.900 472 Q CB 0.735 29.623 28.738 0.250 0.000 1.228 472 Q HN 0.238 nan 8.270 nan 0.000 0.449 473 E N 4.071 124.429 120.200 0.264 0.000 2.373 473 E HA 0.349 4.699 4.350 0.000 0.000 0.267 473 E C -0.346 176.370 176.600 0.193 0.000 1.032 473 E CA 0.130 56.657 56.400 0.212 0.000 0.889 473 E CB 0.705 30.509 29.700 0.173 0.000 0.984 473 E HN 0.646 nan 8.360 nan 0.000 0.425 474 M N 1.007 120.731 119.600 0.206 0.000 2.575 474 M HA 0.472 4.952 4.480 0.000 0.000 0.284 474 M C -1.456 174.948 176.300 0.173 0.000 1.253 474 M CA -1.186 54.244 55.300 0.217 0.000 0.861 474 M CB 1.232 34.009 32.600 0.294 0.000 1.733 474 M HN 0.170 nan 8.290 nan 0.000 0.462 475 L N 2.232 123.572 121.223 0.194 0.000 2.307 475 L HA 0.542 4.882 4.340 0.000 0.000 0.284 475 L C -0.593 176.362 176.870 0.142 0.000 1.023 475 L CA -0.010 54.946 54.840 0.193 0.000 0.810 475 L CB 1.565 43.771 42.059 0.246 0.000 1.231 475 L HN 0.694 nan 8.230 nan 0.000 0.423 476 N N 2.833 121.567 118.700 0.056 0.000 2.408 476 N HA 0.581 5.321 4.740 0.000 0.000 0.280 476 N C -1.612 173.636 175.510 -0.436 0.000 1.002 476 N CA -0.235 52.705 53.050 -0.182 0.000 0.907 476 N CB 0.880 39.349 38.487 -0.029 0.000 1.161 476 N HN 0.403 nan 8.380 nan 0.000 0.488 477 Y N -0.513 119.440 120.300 -0.578 0.000 2.641 477 Y HA 0.520 5.070 4.550 0.000 0.000 0.333 477 Y C -1.353 174.291 175.900 -0.427 0.000 1.174 477 Y CA -1.309 56.373 58.100 -0.696 0.000 1.057 477 Y CB 0.501 38.745 38.460 -0.359 0.000 1.322 477 Y HN 0.015 nan 8.280 nan 0.000 0.457 478 V N 4.041 123.810 119.914 -0.242 0.000 2.364 478 V HA 0.391 4.511 4.120 0.000 0.000 0.272 478 V C 0.168 176.110 176.094 -0.253 0.000 1.036 478 V CA -0.364 61.671 62.300 -0.443 0.000 0.880 478 V CB 0.512 31.976 31.823 -0.598 0.000 0.991 478 V HN 0.746 nan 8.190 nan 0.000 0.460 479 L N 2.970 124.087 121.223 -0.177 0.000 2.805 479 L HA 0.746 5.086 4.340 0.000 0.000 0.242 479 L C 0.333 177.172 176.870 -0.053 0.000 1.180 479 L CA -0.438 54.382 54.840 -0.034 0.000 1.001 479 L CB 1.517 43.599 42.059 0.038 0.000 1.864 479 L HN 0.635 nan 8.230 nan 0.000 0.551 480 S N -0.184 115.524 115.700 0.014 0.000 2.543 480 S HA 0.484 4.954 4.470 0.000 0.000 0.273 480 S C -2.804 171.834 174.600 0.063 0.000 1.152 480 S CA -1.107 57.115 58.200 0.037 0.000 0.910 480 S CB 1.873 65.083 63.200 0.018 0.000 1.105 480 S HN 0.230 nan 8.310 nan 0.000 0.465 481 P HA 0.356 nan 4.420 nan 0.000 0.270 481 P C -1.072 176.190 177.300 -0.063 0.000 1.223 481 P CA -0.105 62.966 63.100 -0.048 0.000 0.785 481 P CB 0.201 31.815 31.700 -0.144 0.000 0.923 482 F N 0.617 120.367 119.950 -0.333 0.000 2.668 482 F HA 0.421 4.948 4.527 0.000 0.000 0.309 482 F C -1.408 174.074 175.800 -0.531 0.000 1.117 482 F CA -0.904 56.810 58.000 -0.478 0.000 0.951 482 F CB 1.431 40.137 39.000 -0.490 0.000 1.323 482 F HN 0.117 nan 8.300 nan 0.000 0.451 483 Y N 4.031 123.794 120.300 -0.895 0.000 2.385 483 Y HA 0.440 4.990 4.550 0.000 0.000 0.341 483 Y C -0.965 174.557 175.900 -0.630 0.000 0.965 483 Y CA -0.817 56.942 58.100 -0.568 0.000 1.180 483 Y CB 0.311 38.440 38.460 -0.551 0.000 1.139 483 Y HN 0.367 nan 8.280 nan 0.000 0.502 484 Y N 1.217 121.546 120.300 0.049 0.000 2.488 484 Y HA 0.421 4.971 4.550 0.000 0.000 0.325 484 Y C -0.277 175.606 175.900 -0.027 0.000 1.204 484 Y CA -1.094 57.026 58.100 0.032 0.000 1.229 484 Y CB 0.881 39.431 38.460 0.149 0.000 1.274 484 Y HN 0.403 nan 8.280 nan 0.000 0.493 485 Y N 0.479 120.937 120.300 0.264 0.000 2.334 485 Y HA 0.388 4.939 4.550 0.000 0.000 0.325 485 Y C -0.018 175.935 175.900 0.089 0.000 1.308 485 Y CA -1.064 57.106 58.100 0.118 0.000 1.389 485 Y CB 0.645 39.145 38.460 0.066 0.000 1.328 485 Y HN 0.422 nan 8.280 nan 0.000 0.532 486 Q N 0.384 120.298 119.800 0.190 0.000 2.456 486 Q HA 0.515 4.855 4.340 0.000 0.000 0.283 486 Q C -1.297 174.661 176.000 -0.070 0.000 1.084 486 Q CA -1.018 54.808 55.803 0.038 0.000 0.801 486 Q CB 2.815 31.549 28.738 -0.006 0.000 1.434 486 Q HN 0.501 nan 8.270 nan 0.000 0.419 487 I N 1.616 122.109 120.570 -0.128 0.000 2.529 487 I HA 0.009 4.179 4.170 0.000 0.000 0.284 487 I C 0.196 176.079 176.117 -0.391 0.000 1.082 487 I CA 0.037 61.208 61.300 -0.216 0.000 1.406 487 I CB 0.519 38.410 38.000 -0.182 0.000 1.405 487 I HN 0.481 nan 8.210 nan 0.000 0.548 488 E N 8.754 128.618 120.200 -0.559 0.000 2.606 488 E HA -0.068 4.282 4.350 0.000 0.000 0.248 488 E C -1.340 174.531 176.600 -1.215 0.000 1.005 488 E CA -0.911 54.844 56.400 -1.075 0.000 0.946 488 E CB 0.207 29.062 29.700 -1.408 0.000 0.928 488 E HN 0.422 nan 8.360 nan 0.000 0.494 489 P HA -0.248 nan 4.420 nan 0.000 0.219 489 P C 1.033 177.723 177.300 -1.016 0.000 1.158 489 P CA 1.849 64.266 63.100 -1.138 0.000 0.895 489 P CB -0.267 30.392 31.700 -1.735 0.000 0.792 490 W N 1.107 121.837 121.300 -0.950 0.000 2.364 490 W HA -0.016 4.644 4.660 0.000 0.000 0.281 490 W C 1.874 178.392 176.519 -0.002 0.000 1.219 490 W CA 0.916 58.067 57.345 -0.324 0.000 1.220 490 W CB -1.650 27.828 29.460 0.031 0.000 1.127 490 W HN -0.055 nan 8.180 nan 0.000 0.556 491 K N -0.162 120.073 120.400 -0.275 0.000 2.155 491 K HA -0.046 4.274 4.320 0.000 0.000 0.203 491 K C 0.764 177.350 176.600 -0.025 0.000 1.052 491 K CA 1.455 57.695 56.287 -0.077 0.000 0.948 491 K CB -0.166 32.207 32.500 -0.212 0.000 0.728 491 K HN 0.052 nan 8.250 nan 0.000 0.448 492 T N 0.503 115.000 114.554 -0.094 0.000 3.317 492 T HA 0.147 4.497 4.350 0.000 0.000 0.361 492 T C -1.977 172.739 174.700 0.027 0.000 1.499 492 T CA -0.661 61.420 62.100 -0.032 0.000 1.529 492 T CB -0.065 68.755 68.868 -0.081 0.000 0.997 492 T HN 0.209 nan 8.240 nan 0.000 0.624 493 H N 3.125 122.187 119.070 -0.013 0.000 2.934 493 H HA 0.480 5.036 4.556 0.000 0.000 0.340 493 H C -0.777 174.577 175.328 0.045 0.000 1.008 493 H CA -0.720 55.311 56.048 -0.028 0.000 1.317 493 H CB 0.859 30.570 29.762 -0.084 0.000 1.670 493 H HN 0.485 nan 8.280 nan 0.000 0.516 494 I N 5.306 125.588 120.570 -0.481 0.000 2.329 494 I HA -0.007 4.163 4.170 0.000 0.000 0.295 494 I C 0.293 176.102 176.117 -0.514 0.000 1.109 494 I CA -0.124 60.986 61.300 -0.318 0.000 1.297 494 I CB 0.020 37.896 38.000 -0.206 0.000 1.433 494 I HN 0.344 nan 8.210 nan 0.000 0.509 495 W N 6.186 127.338 121.300 -0.247 0.000 2.049 495 W HA 0.131 4.791 4.660 0.000 0.000 0.356 495 W C 0.787 177.280 176.519 -0.043 0.000 1.323 495 W CA 0.239 57.534 57.345 -0.082 0.000 1.336 495 W CB 0.783 30.293 29.460 0.083 0.000 1.176 495 W HN 0.513 nan 8.180 nan 0.000 0.623 496 Q N 0.000 120.035 119.800 0.391 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.932 55.803 0.215 0.000 1.022 496 Q CB 0.000 28.834 28.738 0.159 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481