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 1m8h_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATXXXXXXX XXCLGSIMNP 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 N 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 0.000 176.098 176.000 0.164 0.000 1.003 77 Q CA 0.000 55.751 55.803 -0.087 0.000 1.022 77 Q CB 0.000 28.674 28.738 -0.107 0.000 1.108 78 Y N -1.645 118.780 120.300 0.208 0.000 2.862 78 Y HA 0.910 5.460 4.550 0.000 0.000 0.347 78 Y C 0.127 176.123 175.900 0.160 0.000 1.234 78 Y CA -2.566 55.684 58.100 0.250 0.000 1.204 78 Y CB 0.489 39.077 38.460 0.213 0.000 1.464 78 Y HN 0.134 nan 8.280 nan 0.000 0.710 79 V N 1.446 121.619 119.914 0.431 0.000 2.668 79 V HA 0.401 4.521 4.120 0.000 0.000 0.304 79 V C -0.494 175.604 176.094 0.007 0.000 1.071 79 V CA -1.233 61.146 62.300 0.132 0.000 0.894 79 V CB 1.689 33.408 31.823 -0.173 0.000 1.008 79 V HN 0.650 nan 8.190 nan 0.000 0.425 80 R N 4.259 124.750 120.500 -0.014 0.000 2.442 80 R HA 0.464 4.804 4.340 0.000 0.000 0.291 80 R C -1.024 175.190 176.300 -0.144 0.000 1.069 80 R CA -0.265 55.729 56.100 -0.176 0.000 1.022 80 R CB 0.812 31.041 30.300 -0.120 0.000 0.976 80 R HN 0.419 nan 8.270 nan 0.000 0.443 81 I N 3.710 124.156 120.570 -0.206 0.000 2.476 81 I HA 0.198 4.369 4.170 0.000 0.000 0.281 81 I C 0.098 176.075 176.117 -0.232 0.000 1.040 81 I CA -0.634 60.576 61.300 -0.149 0.000 1.094 81 I CB 1.453 39.405 38.000 -0.079 0.000 1.219 81 I HN 0.456 nan 8.210 nan 0.000 0.450 82 K N 5.031 125.275 120.400 -0.261 0.000 2.144 82 K HA 0.269 4.589 4.320 0.000 0.000 0.270 82 K C 0.155 176.523 176.600 -0.387 0.000 1.005 82 K CA -0.383 55.645 56.287 -0.431 0.000 0.932 82 K CB 1.105 33.160 32.500 -0.741 0.000 1.021 82 K HN 0.471 nan 8.250 nan 0.000 0.462 83 N N 4.300 122.784 118.700 -0.361 0.000 2.800 83 N HA 0.064 4.804 4.740 0.000 0.000 0.240 83 N C -0.183 175.241 175.510 -0.143 0.000 1.096 83 N CA -0.393 52.564 53.050 -0.155 0.000 0.877 83 N CB 0.177 38.610 38.487 -0.091 0.000 1.138 83 N HN 0.667 nan 8.380 nan 0.000 0.509 84 W N 2.134 123.476 121.300 0.069 0.000 2.374 84 W HA -0.105 4.555 4.660 0.000 0.000 0.268 84 W C 2.038 178.588 176.519 0.051 0.000 1.199 84 W CA 0.964 58.357 57.345 0.080 0.000 1.154 84 W CB -0.100 29.444 29.460 0.139 0.000 1.135 84 W HN 0.559 nan 8.180 nan 0.000 0.580 85 G N -0.687 108.219 108.800 0.176 0.000 2.417 85 G HA2 -0.154 3.806 3.960 0.000 0.000 0.212 85 G HA3 -0.154 3.806 3.960 0.000 0.000 0.212 85 G C 1.295 176.199 174.900 0.007 0.000 1.187 85 G CA 1.109 46.231 45.100 0.036 0.000 0.804 85 G HN 0.263 nan 8.290 nan 0.000 0.534 86 S N -0.725 114.968 115.700 -0.011 0.000 2.601 86 S HA 0.428 4.898 4.470 0.000 0.000 0.244 86 S C 1.629 176.190 174.600 -0.065 0.000 1.001 86 S CA 0.844 59.024 58.200 -0.033 0.000 0.984 86 S CB 0.319 63.499 63.200 -0.032 0.000 0.842 86 S HN 1.480 nan 8.310 nan 0.000 0.474 87 G N 0.975 109.716 108.800 -0.099 0.000 2.216 87 G HA2 -0.346 3.614 3.960 0.000 0.000 0.269 87 G HA3 -0.346 3.614 3.960 0.000 0.000 0.269 87 G C -0.033 174.756 174.900 -0.184 0.000 0.981 87 G CA 0.596 45.599 45.100 -0.162 0.000 0.658 87 G HN 0.637 nan 8.290 nan 0.000 0.539 88 E N 0.625 120.730 120.200 -0.159 0.000 2.493 88 E HA 0.320 4.670 4.350 0.000 0.000 0.255 88 E C 0.844 177.307 176.600 -0.227 0.000 0.999 88 E CA 0.115 56.418 56.400 -0.161 0.000 0.934 88 E CB 0.181 29.800 29.700 -0.135 0.000 0.940 88 E HN 0.281 nan 8.360 nan 0.000 0.473 89 I N 5.781 126.211 120.570 -0.234 0.000 2.377 89 I HA 0.315 4.485 4.170 0.000 0.000 0.293 89 I C -0.099 175.784 176.117 -0.390 0.000 0.987 89 I CA -0.575 60.527 61.300 -0.329 0.000 1.185 89 I CB 0.693 38.494 38.000 -0.332 0.000 1.341 89 I HN 0.438 nan 8.210 nan 0.000 0.455 90 L N 5.758 126.721 121.223 -0.432 0.000 2.354 90 L HA 0.448 4.788 4.340 0.000 0.000 0.269 90 L C -0.864 175.737 176.870 -0.448 0.000 1.005 90 L CA -0.761 53.883 54.840 -0.327 0.000 0.819 90 L CB 1.995 43.909 42.059 -0.241 0.000 1.311 90 L HN 0.515 nan 8.230 nan 0.000 0.423 91 H N 0.516 119.555 119.070 -0.052 0.000 2.638 91 H HA 0.201 4.757 4.556 0.000 0.000 0.303 91 H C -0.911 174.432 175.328 0.025 0.000 1.034 91 H CA -0.610 55.302 56.048 -0.227 0.000 1.225 91 H CB 1.146 30.555 29.762 -0.589 0.000 1.394 91 H HN 0.354 nan 8.280 nan 0.000 0.477 92 D N 2.548 123.042 120.400 0.157 0.000 2.339 92 D HA -0.014 4.626 4.640 0.000 0.000 0.241 92 D C 0.966 177.419 176.300 0.256 0.000 1.183 92 D CA 0.111 54.170 54.000 0.099 0.000 0.859 92 D CB 1.095 41.959 40.800 0.107 0.000 1.067 92 D HN 0.736 nan 8.370 nan 0.000 0.484 93 T N 1.410 116.063 114.554 0.165 0.000 3.015 93 T HA -0.058 4.292 4.350 0.000 0.000 0.250 93 T C 1.921 176.650 174.700 0.048 0.000 1.057 93 T CA -0.096 62.121 62.100 0.197 0.000 1.066 93 T CB -0.014 68.942 68.868 0.146 0.000 0.959 93 T HN 0.260 nan 8.240 nan 0.000 0.488 94 L N 2.823 124.040 121.223 -0.010 0.000 2.191 94 L HA -0.040 4.300 4.340 0.000 0.000 0.212 94 L C 2.541 179.276 176.870 -0.226 0.000 1.103 94 L CA 1.701 56.505 54.840 -0.060 0.000 0.769 94 L CB -0.746 41.306 42.059 -0.011 0.000 0.908 94 L HN 0.586 nan 8.230 nan 0.000 0.438 95 H N -2.817 115.934 119.070 -0.531 0.000 2.541 95 H HA -0.177 4.379 4.556 0.000 0.000 0.289 95 H C 1.551 176.516 175.328 -0.604 0.000 1.054 95 H CA 1.761 57.186 56.048 -1.038 0.000 1.250 95 H CB -0.824 28.380 29.762 -0.930 0.000 1.369 95 H HN 0.553 nan 8.280 nan 0.000 0.578 96 H N 1.102 119.749 119.070 -0.705 0.000 2.436 96 H HA 0.088 4.644 4.556 0.000 0.000 0.294 96 H C 1.648 176.832 175.328 -0.240 0.000 1.048 96 H CA 0.787 56.554 56.048 -0.470 0.000 1.353 96 H CB 0.370 29.887 29.762 -0.408 0.000 1.414 96 H HN 0.285 nan 8.280 nan 0.000 0.536 97 K N 0.960 121.315 120.400 -0.076 0.000 2.551 97 K HA 0.140 4.460 4.320 0.000 0.000 0.192 97 K C 0.804 177.394 176.600 -0.018 0.000 1.027 97 K CA -0.036 56.239 56.287 -0.019 0.000 1.059 97 K CB 0.352 32.861 32.500 0.014 0.000 0.831 97 K HN 0.195 nan 8.250 nan 0.000 0.508 98 A N 1.540 124.314 122.820 -0.077 0.000 2.307 98 A HA 0.150 4.470 4.320 0.000 0.000 0.271 98 A C 0.773 178.351 177.584 -0.011 0.000 1.188 98 A CA 0.206 52.221 52.037 -0.036 0.000 0.810 98 A CB 0.109 19.047 19.000 -0.104 0.000 1.123 98 A HN 0.331 nan 8.150 nan 0.000 0.509 110 L N 6.440 127.680 121.223 0.028 0.000 2.737 110 L HA 0.277 4.617 4.340 0.000 0.000 0.288 110 L C 1.456 178.353 176.870 0.045 0.000 1.185 110 L CA 1.611 56.472 54.840 0.036 0.000 1.127 110 L CB -0.441 41.640 42.059 0.037 0.000 1.432 110 L HN 0.959 nan 8.230 nan 0.000 0.449 111 G N 1.033 109.860 108.800 0.046 0.000 2.658 111 G HA2 -0.074 3.886 3.960 0.000 0.000 0.217 111 G HA3 -0.074 3.886 3.960 0.000 0.000 0.217 111 G C 0.801 175.754 174.900 0.089 0.000 1.319 111 G CA 0.506 45.641 45.100 0.057 0.000 0.885 111 G HN 0.554 nan 8.290 nan 0.000 0.553 112 S N 0.941 116.695 115.700 0.090 0.000 2.849 112 S HA 0.443 4.914 4.470 0.000 0.000 0.244 112 S C 0.066 174.734 174.600 0.114 0.000 1.297 112 S CA -0.565 57.708 58.200 0.122 0.000 1.241 112 S CB -0.235 63.029 63.200 0.107 0.000 0.958 112 S HN 0.079 nan 8.310 nan 0.000 0.489 113 I N 2.071 122.701 120.570 0.101 0.000 2.365 113 I HA 0.283 4.453 4.170 0.000 0.000 0.291 113 I C 1.394 177.567 176.117 0.094 0.000 1.004 113 I CA -0.454 60.891 61.300 0.075 0.000 1.311 113 I CB 0.888 38.915 38.000 0.045 0.000 1.401 113 I HN 0.389 nan 8.210 nan 0.000 0.491 114 M N 4.326 123.977 119.600 0.085 0.000 2.115 114 M HA -0.037 4.443 4.480 0.000 0.000 0.261 114 M C 0.310 176.544 176.300 -0.111 0.000 1.079 114 M CA 1.429 56.787 55.300 0.096 0.000 1.143 114 M CB -0.034 32.639 32.600 0.123 0.000 1.332 114 M HN 0.485 nan 8.290 nan 0.000 0.421 115 N N 1.507 120.105 118.700 -0.170 0.000 3.114 115 N HA 0.293 5.033 4.740 0.000 0.000 0.289 115 N C -2.443 172.985 175.510 -0.136 0.000 1.519 115 N CA -0.817 52.044 53.050 -0.315 0.000 1.026 115 N CB 0.220 38.511 38.487 -0.327 0.000 1.306 115 N HN 0.258 nan 8.380 nan 0.000 0.495 116 P HA 0.144 nan 4.420 nan 0.000 0.271 116 P C 0.676 177.992 177.300 0.027 0.000 1.216 116 P CA -0.259 62.841 63.100 -0.000 0.000 0.776 116 P CB 1.950 33.666 31.700 0.028 0.000 0.881 117 K N 1.147 121.564 120.400 0.028 0.000 2.211 117 K HA -0.125 4.195 4.320 0.000 0.000 0.204 117 K C 2.010 178.660 176.600 0.083 0.000 1.047 117 K CA 1.822 58.135 56.287 0.044 0.000 0.935 117 K CB -0.211 32.305 32.500 0.026 0.000 0.728 117 K HN 0.559 nan 8.250 nan 0.000 0.452 118 S N 0.144 115.894 115.700 0.084 0.000 2.469 118 S HA -0.091 4.379 4.470 0.000 0.000 0.238 118 S C 1.344 176.054 174.600 0.183 0.000 0.998 118 S CA 0.776 59.038 58.200 0.104 0.000 0.957 118 S CB -0.099 63.144 63.200 0.071 0.000 0.764 118 S HN 0.249 nan 8.310 nan 0.000 0.514 119 L N 1.256 122.618 121.223 0.232 0.000 2.965 119 L HA 0.351 4.691 4.340 0.000 0.000 0.254 119 L C -0.395 176.807 176.870 0.552 0.000 1.220 119 L CA -0.176 54.894 54.840 0.383 0.000 1.023 119 L CB 0.427 42.704 42.059 0.364 0.000 1.355 119 L HN 0.157 nan 8.230 nan 0.000 0.545 120 T N -0.306 114.492 114.554 0.407 0.000 2.861 120 T HA 0.428 4.778 4.350 0.000 0.000 0.287 120 T C -0.509 174.293 174.700 0.170 0.000 1.003 120 T CA -0.504 61.791 62.100 0.324 0.000 0.977 120 T CB 2.458 71.425 68.868 0.165 0.000 0.996 120 T HN -0.072 nan 8.240 nan 0.000 0.448 121 R N 2.009 122.570 120.500 0.101 0.000 2.335 121 R HA 0.580 4.920 4.340 0.000 0.000 0.302 121 R C 0.542 176.833 176.300 -0.014 0.000 1.147 121 R CA -0.399 55.641 56.100 -0.099 0.000 1.111 121 R CB -0.012 30.086 30.300 -0.336 0.000 1.122 121 R HN 0.835 nan 8.270 nan 0.000 0.557 122 G N 2.919 111.711 108.800 -0.014 0.000 2.553 122 G HA2 0.294 4.254 3.960 0.000 0.000 0.278 122 G HA3 0.294 4.254 3.960 0.000 0.000 0.278 122 G C -1.928 172.963 174.900 -0.014 0.000 1.349 122 G CA -0.913 44.181 45.100 -0.009 0.000 1.037 122 G HN 0.565 nan 8.290 nan 0.000 0.508 123 P HA 0.274 nan 4.420 nan 0.000 0.272 123 P C -0.765 176.529 177.300 -0.011 0.000 1.230 123 P CA -0.017 63.080 63.100 -0.005 0.000 0.788 123 P CB 0.843 32.542 31.700 -0.003 0.000 0.949 124 R N -0.071 120.423 120.500 -0.009 0.000 2.604 124 R HA 0.428 4.768 4.340 0.000 0.000 0.270 124 R C -1.144 175.145 176.300 -0.018 0.000 1.052 124 R CA -0.790 55.301 56.100 -0.015 0.000 0.902 124 R CB 0.790 31.078 30.300 -0.020 0.000 1.233 124 R HN 0.266 nan 8.270 nan 0.000 0.455 125 D N 1.511 121.898 120.400 -0.022 0.000 2.670 125 D HA 0.283 4.923 4.640 0.000 0.000 0.255 125 D C -0.704 175.574 176.300 -0.037 0.000 1.286 125 D CA -0.466 53.515 54.000 -0.032 0.000 0.830 125 D CB 0.490 41.275 40.800 -0.025 0.000 1.065 125 D HN 0.459 nan 8.370 nan 0.000 0.486 126 K N 0.407 120.787 120.400 -0.033 0.000 2.543 126 K HA 0.370 4.690 4.320 0.000 0.000 0.255 126 K C -3.015 173.569 176.600 -0.026 0.000 0.934 126 K CA -1.796 54.474 56.287 -0.029 0.000 0.810 126 K CB 2.624 35.112 32.500 -0.020 0.000 1.315 126 K HN -0.158 nan 8.250 nan 0.000 0.433 127 P HA -0.085 nan 4.420 nan 0.000 0.267 127 P C -0.418 176.877 177.300 -0.009 0.000 1.200 127 P CA 0.070 63.161 63.100 -0.014 0.000 0.772 127 P CB 0.432 32.128 31.700 -0.005 0.000 0.855 128 T N 3.672 118.223 114.554 -0.005 0.000 2.758 128 T HA 0.110 4.460 4.350 0.000 0.000 0.281 128 T C -2.144 172.556 174.700 -0.000 0.000 0.963 128 T CA -1.381 60.718 62.100 -0.001 0.000 1.201 128 T CB -0.961 67.913 68.868 0.010 0.000 0.906 128 T HN 0.167 nan 8.240 nan 0.000 0.528 129 P HA -0.043 nan 4.420 nan 0.000 0.259 129 P C 1.210 178.495 177.300 -0.025 0.000 1.163 129 P CA -0.393 62.697 63.100 -0.017 0.000 0.760 129 P CB 0.351 32.038 31.700 -0.022 0.000 0.762 130 L N 3.402 124.612 121.223 -0.022 0.000 2.051 130 L HA -0.216 4.124 4.340 0.000 0.000 0.214 130 L C 1.923 178.760 176.870 -0.056 0.000 1.076 130 L CA 2.124 56.946 54.840 -0.030 0.000 0.758 130 L CB -1.637 40.408 42.059 -0.023 0.000 0.890 130 L HN 0.411 nan 8.230 nan 0.000 0.433 131 E N -0.300 119.865 120.200 -0.057 0.000 2.171 131 E HA -0.227 4.123 4.350 0.000 0.000 0.197 131 E C 2.180 178.707 176.600 -0.122 0.000 0.997 131 E CA 1.256 57.613 56.400 -0.072 0.000 0.810 131 E CB -0.118 29.549 29.700 -0.055 0.000 0.738 131 E HN 0.554 nan 8.360 nan 0.000 0.467 132 E N -0.475 119.642 120.200 -0.138 0.000 2.075 132 E HA -0.074 4.276 4.350 0.000 0.000 0.190 132 E C 1.907 178.295 176.600 -0.354 0.000 0.969 132 E CA 0.230 56.483 56.400 -0.246 0.000 0.815 132 E CB 0.008 29.632 29.700 -0.127 0.000 0.776 132 E HN 0.186 nan 8.360 nan 0.000 0.457 133 L N 1.313 122.456 121.223 -0.133 0.000 2.027 133 L HA -0.112 4.229 4.340 0.000 0.000 0.206 133 L C 2.283 179.138 176.870 -0.026 0.000 1.074 133 L CA 1.396 56.223 54.840 -0.022 0.000 0.745 133 L CB -0.828 41.254 42.059 0.039 0.000 0.898 133 L HN 0.273 nan 8.230 nan 0.000 0.433 134 L N 1.148 122.330 121.223 -0.069 0.000 2.012 134 L HA -0.073 4.267 4.340 0.000 0.000 0.210 134 L C -0.562 176.275 176.870 -0.054 0.000 1.073 134 L CA 2.255 57.049 54.840 -0.077 0.000 0.748 134 L CB -1.977 40.038 42.059 -0.073 0.000 0.891 134 L HN 0.280 nan 8.230 nan 0.000 0.431 135 P HA -0.156 nan 4.420 nan 0.000 0.221 135 P C 0.961 178.320 177.300 0.098 0.000 1.150 135 P CA 1.506 64.592 63.100 -0.024 0.000 0.800 135 P CB -0.226 31.429 31.700 -0.076 0.000 0.787 136 H N 0.524 119.625 119.070 0.052 0.000 2.363 136 H HA 0.108 4.664 4.556 0.000 0.000 0.301 136 H C 2.216 177.635 175.328 0.151 0.000 1.074 136 H CA 1.308 57.413 56.048 0.095 0.000 1.354 136 H CB -1.072 28.742 29.762 0.087 0.000 1.397 136 H HN 0.075 nan 8.280 nan 0.000 0.516 137 A N 1.083 124.046 122.820 0.238 0.000 1.877 137 A HA -0.128 4.192 4.320 0.000 0.000 0.216 137 A C 2.607 180.291 177.584 0.167 0.000 1.186 137 A CA 1.565 53.707 52.037 0.175 0.000 0.620 137 A CB -0.921 17.921 19.000 -0.262 0.000 0.822 137 A HN 0.332 nan 8.150 nan 0.000 0.443 138 I N -0.352 120.268 120.570 0.085 0.000 2.264 138 I HA -0.289 3.881 4.170 0.000 0.000 0.248 138 I C 2.522 178.728 176.117 0.148 0.000 1.111 138 I CA 1.859 63.211 61.300 0.086 0.000 1.382 138 I CB -0.377 37.649 38.000 0.044 0.000 1.060 138 I HN 0.518 nan 8.210 nan 0.000 0.418 139 E N 1.626 121.939 120.200 0.188 0.000 2.017 139 E HA -0.289 4.062 4.350 0.000 0.000 0.193 139 E C 2.102 178.860 176.600 0.263 0.000 0.997 139 E CA 1.710 58.235 56.400 0.209 0.000 0.804 139 E CB -0.547 29.287 29.700 0.223 0.000 0.757 139 E HN 0.372 nan 8.360 nan 0.000 0.448 140 F N 1.118 121.176 119.950 0.179 0.000 2.095 140 F HA -0.155 4.372 4.527 0.000 0.000 0.298 140 F C 1.918 177.854 175.800 0.226 0.000 1.104 140 F CA 1.439 59.569 58.000 0.216 0.000 1.232 140 F CB -0.413 38.730 39.000 0.239 0.000 0.987 140 F HN 0.096 nan 8.300 nan 0.000 0.475 141 I N 0.602 121.171 120.570 -0.002 0.000 2.335 141 I HA -0.304 3.866 4.170 0.000 0.000 0.251 141 I C 1.874 178.017 176.117 0.044 0.000 1.129 141 I CA 1.450 62.721 61.300 -0.050 0.000 1.402 141 I CB -1.874 36.198 38.000 0.120 0.000 1.069 141 I HN 0.241 nan 8.210 nan 0.000 0.424 142 N N 0.440 119.203 118.700 0.105 0.000 2.270 142 N HA -0.190 4.550 4.740 0.000 0.000 0.181 142 N C 1.877 177.405 175.510 0.031 0.000 1.016 142 N CA 0.619 53.750 53.050 0.136 0.000 0.870 142 N CB -0.112 38.492 38.487 0.196 0.000 0.979 142 N HN 0.439 nan 8.380 nan 0.000 0.431 143 Q N -0.663 119.160 119.800 0.038 0.000 2.137 143 Q HA -0.156 4.184 4.340 0.000 0.000 0.198 143 Q C 1.747 177.683 176.000 -0.108 0.000 0.960 143 Q CA 0.904 56.749 55.803 0.070 0.000 0.847 143 Q CB -0.047 28.836 28.738 0.241 0.000 0.915 143 Q HN 0.524 nan 8.270 nan 0.000 0.448 144 Y N -0.204 119.790 120.300 -0.510 0.000 2.089 144 Y HA -0.290 4.261 4.550 0.000 0.000 0.282 144 Y C 1.476 177.008 175.900 -0.614 0.000 1.139 144 Y CA 1.986 59.512 58.100 -0.957 0.000 1.123 144 Y CB -0.400 37.434 38.460 -1.043 0.000 0.980 144 Y HN 0.146 nan 8.280 nan 0.000 0.493 145 Y N 0.032 120.090 120.300 -0.403 0.000 2.497 145 Y HA -0.013 4.537 4.550 0.000 0.000 0.292 145 Y C 2.494 178.166 175.900 -0.381 0.000 1.137 145 Y CA 1.101 58.822 58.100 -0.632 0.000 1.285 145 Y CB -0.716 37.128 38.460 -1.026 0.000 0.991 145 Y HN 0.271 nan 8.280 nan 0.000 0.556 146 G N -1.389 107.326 108.800 -0.141 0.000 2.744 146 G HA2 -0.127 3.833 3.960 0.000 0.000 0.211 146 G HA3 -0.127 3.833 3.960 0.000 0.000 0.211 146 G C 1.582 176.499 174.900 0.028 0.000 1.143 146 G CA 0.846 45.936 45.100 -0.017 0.000 0.788 146 G HN 0.459 nan 8.290 nan 0.000 0.534 147 S N -0.128 115.570 115.700 -0.004 0.000 2.470 147 S HA 0.247 4.717 4.470 0.000 0.000 0.222 147 S C 0.762 175.379 174.600 0.027 0.000 1.024 147 S CA -0.683 57.528 58.200 0.019 0.000 0.931 147 S CB -0.332 62.866 63.200 -0.003 0.000 0.791 147 S HN 0.131 nan 8.310 nan 0.000 0.513 148 F N 3.084 122.891 119.950 -0.238 0.000 2.623 148 F HA 0.103 4.630 4.527 0.000 0.000 0.386 148 F C 1.773 177.527 175.800 -0.078 0.000 1.068 148 F CA -0.183 57.715 58.000 -0.169 0.000 1.265 148 F CB 0.440 39.335 39.000 -0.174 0.000 1.026 148 F HN 0.044 nan 8.300 nan 0.000 0.568 149 K N 1.222 121.669 120.400 0.079 0.000 2.147 149 K HA -0.119 4.201 4.320 0.000 0.000 0.205 149 K C 0.122 176.769 176.600 0.078 0.000 1.049 149 K CA 1.132 57.453 56.287 0.057 0.000 0.936 149 K CB 0.059 32.573 32.500 0.023 0.000 0.722 149 K HN 0.495 nan 8.250 nan 0.000 0.446 150 E N 0.561 120.831 120.200 0.118 0.000 2.149 150 E HA 0.217 4.567 4.350 0.000 0.000 0.255 150 E C -1.183 175.477 176.600 0.100 0.000 0.888 150 E CA -0.306 56.151 56.400 0.094 0.000 0.742 150 E CB 1.507 31.257 29.700 0.083 0.000 1.164 150 E HN 0.150 nan 8.360 nan 0.000 0.422 151 A N 3.668 126.521 122.820 0.055 0.000 2.548 151 A HA -0.043 4.277 4.320 0.000 0.000 0.247 151 A C 0.598 178.160 177.584 -0.037 0.000 1.067 151 A CA 0.379 52.418 52.037 0.004 0.000 0.757 151 A CB 0.015 19.025 19.000 0.018 0.000 0.996 151 A HN 0.439 nan 8.150 nan 0.000 0.504 152 K N 4.493 124.819 120.400 -0.124 0.000 2.403 152 K HA 0.269 4.589 4.320 0.000 0.000 0.235 152 K C 0.766 177.303 176.600 -0.105 0.000 1.142 152 K CA -0.554 55.667 56.287 -0.109 0.000 1.114 152 K CB -0.182 32.227 32.500 -0.152 0.000 1.777 152 K HN 0.728 nan 8.250 nan 0.000 0.424 153 I N 1.271 121.805 120.570 -0.062 0.000 2.236 153 I HA -0.319 3.851 4.170 0.000 0.000 0.249 153 I C 2.017 178.065 176.117 -0.114 0.000 1.102 153 I CA 1.395 62.654 61.300 -0.069 0.000 1.365 153 I CB -0.780 37.182 38.000 -0.064 0.000 1.051 153 I HN 0.624 nan 8.210 nan 0.000 0.420 154 E N 1.826 121.967 120.200 -0.098 0.000 2.005 154 E HA -0.283 4.067 4.350 0.000 0.000 0.198 154 E C 2.169 178.686 176.600 -0.139 0.000 1.010 154 E CA 2.057 58.398 56.400 -0.099 0.000 0.825 154 E CB -0.424 29.238 29.700 -0.063 0.000 0.769 154 E HN 0.458 nan 8.360 nan 0.000 0.456 155 E N -1.166 118.945 120.200 -0.149 0.000 2.265 155 E HA -0.267 4.083 4.350 0.000 0.000 0.196 155 E C 2.039 178.339 176.600 -0.500 0.000 0.996 155 E CA 1.004 57.287 56.400 -0.194 0.000 0.832 155 E CB -0.247 29.426 29.700 -0.045 0.000 0.756 155 E HN 0.572 nan 8.360 nan 0.000 0.491 156 H N -0.194 118.380 119.070 -0.826 0.000 2.253 156 H HA -0.150 4.406 4.556 0.000 0.000 0.296 156 H C 2.173 177.152 175.328 -0.583 0.000 1.074 156 H CA 1.296 56.661 56.048 -1.138 0.000 1.263 156 H CB 0.114 29.483 29.762 -0.656 0.000 1.363 156 H HN 0.148 nan 8.280 nan 0.000 0.489 157 L N 0.787 121.839 121.223 -0.285 0.000 1.989 157 L HA -0.203 4.137 4.340 0.000 0.000 0.211 157 L C 2.975 179.750 176.870 -0.158 0.000 1.071 157 L CA 1.672 56.370 54.840 -0.235 0.000 0.749 157 L CB -1.700 40.238 42.059 -0.200 0.000 0.890 157 L HN 0.504 nan 8.230 nan 0.000 0.431 158 A N -0.134 122.595 122.820 -0.152 0.000 1.884 158 A HA -0.309 4.012 4.320 0.000 0.000 0.219 158 A C 2.424 179.964 177.584 -0.072 0.000 1.197 158 A CA 2.348 54.326 52.037 -0.097 0.000 0.637 158 A CB -0.558 18.393 19.000 -0.082 0.000 0.827 158 A HN 0.357 nan 8.150 nan 0.000 0.450 159 R N -0.309 120.129 120.500 -0.103 0.000 2.066 159 R HA 0.046 4.386 4.340 0.000 0.000 0.232 159 R C 2.048 178.351 176.300 0.005 0.000 1.131 159 R CA 1.611 57.706 56.100 -0.009 0.000 0.955 159 R CB -0.927 29.421 30.300 0.079 0.000 0.851 159 R HN 0.506 nan 8.270 nan 0.000 0.432 160 L N 0.474 121.686 121.223 -0.019 0.000 1.990 160 L HA -0.253 4.087 4.340 0.000 0.000 0.213 160 L C 2.548 179.401 176.870 -0.028 0.000 1.072 160 L CA 2.211 57.053 54.840 0.003 0.000 0.755 160 L CB -0.487 41.568 42.059 -0.007 0.000 0.889 160 L HN 0.464 nan 8.230 nan 0.000 0.432 161 E N -0.433 119.739 120.200 -0.047 0.000 2.031 161 E HA -0.273 4.078 4.350 0.000 0.000 0.193 161 E C 2.122 178.705 176.600 -0.028 0.000 0.994 161 E CA 1.295 57.669 56.400 -0.044 0.000 0.800 161 E CB -0.090 29.579 29.700 -0.052 0.000 0.752 161 E HN 0.514 nan 8.360 nan 0.000 0.447 162 A N 0.541 123.351 122.820 -0.017 0.000 1.908 162 A HA -0.177 4.143 4.320 0.000 0.000 0.218 162 A C 2.420 180.009 177.584 0.008 0.000 1.181 162 A CA 1.720 53.758 52.037 0.002 0.000 0.627 162 A CB -0.787 18.223 19.000 0.017 0.000 0.818 162 A HN 0.245 nan 8.150 nan 0.000 0.445 163 V N -0.240 119.676 119.914 0.003 0.000 2.295 163 V HA -0.256 3.864 4.120 0.000 0.000 0.246 163 V C 2.725 178.766 176.094 -0.089 0.000 1.049 163 V CA 2.502 64.785 62.300 -0.028 0.000 1.024 163 V CB -1.527 30.259 31.823 -0.061 0.000 0.648 163 V HN 0.620 nan 8.190 nan 0.000 0.447 164 T N -0.382 114.123 114.554 -0.081 0.000 2.624 164 T HA -0.328 4.022 4.350 0.000 0.000 0.268 164 T C 1.968 176.637 174.700 -0.052 0.000 1.041 164 T CA 2.090 64.143 62.100 -0.079 0.000 1.159 164 T CB -0.304 68.531 68.868 -0.056 0.000 0.863 164 T HN 0.401 nan 8.240 nan 0.000 0.434 165 K N 0.507 120.889 120.400 -0.029 0.000 2.063 165 K HA -0.157 4.163 4.320 0.000 0.000 0.208 165 K C 2.499 179.100 176.600 0.002 0.000 1.048 165 K CA 1.538 57.818 56.287 -0.012 0.000 0.928 165 K CB -0.162 32.335 32.500 -0.005 0.000 0.713 165 K HN 0.456 nan 8.250 nan 0.000 0.442 166 E N 0.647 120.855 120.200 0.013 0.000 2.118 166 E HA -0.206 4.144 4.350 0.000 0.000 0.195 166 E C 1.806 178.436 176.600 0.049 0.000 0.992 166 E CA 1.324 57.751 56.400 0.046 0.000 0.804 166 E CB -0.018 29.734 29.700 0.087 0.000 0.741 166 E HN 0.323 nan 8.360 nan 0.000 0.458 167 I N 0.404 120.981 120.570 0.012 0.000 2.406 167 I HA -0.159 4.011 4.170 0.000 0.000 0.249 167 I C 2.004 178.124 176.117 0.006 0.000 1.122 167 I CA 0.911 62.216 61.300 0.009 0.000 1.431 167 I CB -0.269 37.684 38.000 -0.078 0.000 1.087 167 I HN 0.057 nan 8.210 nan 0.000 0.424 168 E N 0.637 120.832 120.200 -0.007 0.000 2.274 168 E HA -0.097 4.253 4.350 0.000 0.000 0.194 168 E C 1.979 178.582 176.600 0.005 0.000 0.996 168 E CA 1.331 57.728 56.400 -0.006 0.000 0.840 168 E CB -0.004 29.688 29.700 -0.014 0.000 0.772 168 E HN 0.481 nan 8.360 nan 0.000 0.491 169 T N 0.349 114.911 114.554 0.013 0.000 2.684 169 T HA -0.106 4.244 4.350 0.000 0.000 0.253 169 T C 2.215 176.930 174.700 0.026 0.000 1.057 169 T CA 1.766 63.877 62.100 0.019 0.000 1.162 169 T CB -0.405 68.477 68.868 0.023 0.000 0.868 169 T HN 0.301 nan 8.240 nan 0.000 0.409 170 T N -1.210 113.366 114.554 0.037 0.000 3.065 170 T HA 0.410 4.760 4.350 0.000 0.000 0.252 170 T C 1.588 176.315 174.700 0.045 0.000 1.099 170 T CA 0.578 62.704 62.100 0.043 0.000 1.063 170 T CB -0.041 68.860 68.868 0.055 0.000 0.948 170 T HN 0.655 nan 8.240 nan 0.000 0.506 171 G N 0.370 109.196 108.800 0.044 0.000 2.212 171 G HA2 -0.055 3.905 3.960 0.000 0.000 0.255 171 G HA3 -0.055 3.905 3.960 0.000 0.000 0.255 171 G C 0.081 175.024 174.900 0.070 0.000 1.062 171 G CA 0.419 45.545 45.100 0.043 0.000 0.815 171 G HN 1.077 nan 8.290 nan 0.000 0.497 172 T N -1.779 112.844 114.554 0.114 0.000 2.632 172 T HA 0.646 4.996 4.350 0.000 0.000 0.290 172 T C -1.534 173.357 174.700 0.319 0.000 1.899 172 T CA 0.550 62.768 62.100 0.196 0.000 0.946 172 T CB 0.810 69.740 68.868 0.104 0.000 2.024 172 T HN 1.887 nan 8.240 nan 0.000 0.471 173 Y N -0.582 119.735 120.300 0.027 0.000 2.750 173 Y HA 0.797 5.347 4.550 0.000 0.000 0.335 173 Y C -1.925 174.006 175.900 0.053 0.000 1.252 173 Y CA -1.187 56.940 58.100 0.044 0.000 1.064 173 Y CB 0.609 39.104 38.460 0.058 0.000 1.321 173 Y HN 0.550 nan 8.280 nan 0.000 0.451 174 Q N 1.951 121.746 119.800 -0.010 0.000 2.365 174 Q HA 0.589 4.929 4.340 0.000 0.000 0.269 174 Q C -1.089 174.888 176.000 -0.038 0.000 1.061 174 Q CA -0.829 54.920 55.803 -0.091 0.000 0.816 174 Q CB 3.182 31.929 28.738 0.014 0.000 1.325 174 Q HN 0.830 nan 8.270 nan 0.000 0.446 175 L N 1.144 122.333 121.223 -0.058 0.000 2.379 175 L HA 0.426 4.766 4.340 0.000 0.000 0.269 175 L C 1.021 177.911 176.870 0.033 0.000 1.084 175 L CA -0.731 54.134 54.840 0.041 0.000 0.802 175 L CB 0.873 42.985 42.059 0.088 0.000 1.175 175 L HN 0.671 nan 8.230 nan 0.000 0.448 176 T N -1.159 113.399 114.554 0.007 0.000 2.898 176 T HA 0.113 4.463 4.350 0.000 0.000 0.301 176 T C 0.977 175.679 174.700 0.004 0.000 1.049 176 T CA -0.672 61.428 62.100 -0.002 0.000 1.095 176 T CB 1.034 69.885 68.868 -0.028 0.000 0.976 176 T HN 0.494 nan 8.240 nan 0.000 0.539 177 L N 1.013 122.242 121.223 0.011 0.000 2.013 177 L HA -0.113 4.227 4.340 0.000 0.000 0.212 177 L C 2.263 179.152 176.870 0.032 0.000 1.073 177 L CA 2.077 56.921 54.840 0.006 0.000 0.753 177 L CB -1.206 40.853 42.059 -0.000 0.000 0.890 177 L HN 0.940 nan 8.230 nan 0.000 0.432 178 D N -0.861 119.571 120.400 0.054 0.000 2.182 178 D HA -0.227 4.413 4.640 0.000 0.000 0.201 178 D C 1.872 178.301 176.300 0.216 0.000 0.986 178 D CA 1.409 55.483 54.000 0.123 0.000 0.847 178 D CB 0.266 41.163 40.800 0.161 0.000 0.942 178 D HN 0.608 nan 8.370 nan 0.000 0.467 179 E N -0.199 120.029 120.200 0.046 0.000 2.046 179 E HA -0.138 4.212 4.350 0.000 0.000 0.190 179 E C 2.094 178.894 176.600 0.334 0.000 0.982 179 E CA 0.195 56.612 56.400 0.028 0.000 0.800 179 E CB -0.052 29.504 29.700 -0.239 0.000 0.756 179 E HN 0.113 nan 8.360 nan 0.000 0.449 180 L N 1.277 122.601 121.223 0.168 0.000 2.042 180 L HA -0.192 4.148 4.340 0.000 0.000 0.210 180 L C 1.973 178.893 176.870 0.083 0.000 1.076 180 L CA 1.547 56.437 54.840 0.082 0.000 0.749 180 L CB -0.280 41.748 42.059 -0.051 0.000 0.893 180 L HN 0.161 nan 8.230 nan 0.000 0.432 181 I N -1.449 119.180 120.570 0.099 0.000 2.127 181 I HA -0.343 3.827 4.170 0.000 0.000 0.241 181 I C 2.327 178.544 176.117 0.167 0.000 1.075 181 I CA 1.763 63.109 61.300 0.076 0.000 1.334 181 I CB -0.388 37.646 38.000 0.057 0.000 1.040 181 I HN 0.317 nan 8.210 nan 0.000 0.405 182 F N 1.505 121.551 119.950 0.159 0.000 2.202 182 F HA -0.255 4.272 4.527 0.000 0.000 0.301 182 F C 2.336 178.298 175.800 0.269 0.000 1.082 182 F CA 1.330 59.464 58.000 0.224 0.000 1.313 182 F CB -0.261 38.942 39.000 0.338 0.000 1.024 182 F HN 0.024 nan 8.300 nan 0.000 0.495 183 A N 0.078 123.104 122.820 0.344 0.000 1.841 183 A HA -0.192 4.128 4.320 0.000 0.000 0.214 183 A C 2.310 179.870 177.584 -0.039 0.000 1.195 183 A CA 2.562 54.685 52.037 0.144 0.000 0.611 183 A CB -1.647 17.379 19.000 0.044 0.000 0.835 183 A HN 0.499 nan 8.150 nan 0.000 0.443 184 T N -1.047 113.493 114.554 -0.023 0.000 2.699 184 T HA -0.228 4.122 4.350 0.000 0.000 0.268 184 T C 1.773 176.532 174.700 0.098 0.000 1.036 184 T CA 1.828 63.933 62.100 0.009 0.000 1.147 184 T CB -0.449 68.426 68.868 0.011 0.000 0.862 184 T HN 0.549 nan 8.240 nan 0.000 0.446 185 K N 0.101 120.557 120.400 0.093 0.000 2.097 185 K HA 0.098 4.418 4.320 0.000 0.000 0.205 185 K C 2.502 179.232 176.600 0.217 0.000 1.050 185 K CA 1.087 57.508 56.287 0.223 0.000 0.938 185 K CB -0.205 32.374 32.500 0.132 0.000 0.718 185 K HN 0.271 nan 8.250 nan 0.000 0.442 186 M N 0.460 120.030 119.600 -0.050 0.000 2.156 186 M HA -0.028 4.452 4.480 0.000 0.000 0.264 186 M C 2.450 178.691 176.300 -0.098 0.000 1.067 186 M CA 1.269 56.475 55.300 -0.157 0.000 1.131 186 M CB -1.060 31.378 32.600 -0.271 0.000 1.368 186 M HN 0.129 nan 8.290 nan 0.000 0.416 187 A N -0.618 122.110 122.820 -0.153 0.000 1.940 187 A HA -0.227 4.093 4.320 0.000 0.000 0.219 187 A C 2.027 179.562 177.584 -0.082 0.000 1.176 187 A CA 1.647 53.459 52.037 -0.375 0.000 0.631 187 A CB -1.099 17.261 19.000 -1.067 0.000 0.814 187 A HN 0.679 nan 8.150 nan 0.000 0.446 188 W N 0.702 122.005 121.300 0.005 0.000 2.408 188 W HA -0.070 4.590 4.660 0.000 0.000 0.311 188 W C 2.331 178.808 176.519 -0.071 0.000 1.190 188 W CA 1.312 58.669 57.345 0.020 0.000 1.321 188 W CB -0.772 28.674 29.460 -0.024 0.000 1.143 188 W HN 0.362 nan 8.180 nan 0.000 0.501 189 R N 0.464 120.961 120.500 -0.006 0.000 2.154 189 R HA -0.200 4.140 4.340 0.000 0.000 0.248 189 R C 0.970 177.142 176.300 -0.213 0.000 1.155 189 R CA 1.872 57.773 56.100 -0.332 0.000 0.979 189 R CB -0.592 29.326 30.300 -0.637 0.000 0.869 189 R HN 0.079 nan 8.270 nan 0.000 0.452 190 N N 0.020 118.654 118.700 -0.111 0.000 2.276 190 N HA 0.083 4.823 4.740 0.000 0.000 0.212 190 N C -0.957 174.510 175.510 -0.071 0.000 1.127 190 N CA 0.395 53.419 53.050 -0.043 0.000 0.834 190 N CB 1.275 39.795 38.487 0.054 0.000 1.014 190 N HN 0.170 nan 8.380 nan 0.000 0.491 191 A N 1.475 124.237 122.820 -0.098 0.000 2.415 191 A HA 0.385 4.705 4.320 0.000 0.000 0.309 191 A C -1.334 176.188 177.584 -0.104 0.000 1.356 191 A CA -1.201 50.721 52.037 -0.191 0.000 0.998 191 A CB 0.595 19.544 19.000 -0.085 0.000 1.145 191 A HN -0.044 nan 8.150 nan 0.000 0.545 192 P HA -0.173 nan 4.420 nan 0.000 0.217 192 P C 1.165 178.420 177.300 -0.076 0.000 1.148 192 P CA 1.308 64.372 63.100 -0.061 0.000 0.828 192 P CB 0.160 31.836 31.700 -0.040 0.000 0.783 193 R N -2.316 118.103 120.500 -0.135 0.000 2.300 193 R HA 0.132 4.472 4.340 0.000 0.000 0.199 193 R C 0.594 176.913 176.300 0.032 0.000 0.920 193 R CA -0.121 55.939 56.100 -0.067 0.000 1.046 193 R CB -0.516 29.570 30.300 -0.357 0.000 0.984 193 R HN 0.197 nan 8.270 nan 0.000 0.493 194 C N 0.924 120.214 119.300 -0.017 0.000 2.499 194 C HA 0.206 4.666 4.460 0.000 0.000 0.386 194 C C 1.822 176.776 174.990 -0.061 0.000 1.293 194 C CA -0.774 58.255 59.018 0.018 0.000 1.884 194 C CB -0.321 27.491 27.740 0.120 0.000 2.509 194 C HN 0.471 nan 8.230 nan 0.000 0.566 195 I N 4.517 125.033 120.570 -0.090 0.000 2.852 195 I HA 0.266 4.436 4.170 0.000 0.000 0.264 195 I C 1.890 178.046 176.117 0.064 0.000 1.179 195 I CA 1.380 62.571 61.300 -0.182 0.000 1.480 195 I CB 0.003 37.907 38.000 -0.161 0.000 1.111 195 I HN 0.818 nan 8.210 nan 0.000 0.441 196 G N 0.034 108.871 108.800 0.062 0.000 3.678 196 G HA2 0.067 4.027 3.960 0.000 0.000 0.287 196 G HA3 0.067 4.027 3.960 0.000 0.000 0.287 196 G C 1.145 176.036 174.900 -0.016 0.000 1.280 196 G CA -0.364 44.772 45.100 0.060 0.000 1.118 196 G HN 0.190 nan 8.290 nan 0.000 0.563 197 R N -0.272 120.147 120.500 -0.135 0.000 2.280 197 R HA 0.160 4.500 4.340 0.000 0.000 0.207 197 R C 2.140 177.921 176.300 -0.866 0.000 1.043 197 R CA 0.143 55.859 56.100 -0.639 0.000 1.006 197 R CB -0.138 29.784 30.300 -0.629 0.000 0.885 197 R HN 0.520 nan 8.270 nan 0.000 0.467 198 I N 0.646 120.904 120.570 -0.520 0.000 2.423 198 I HA -0.299 3.871 4.170 0.000 0.000 0.254 198 I C 1.287 177.325 176.117 -0.131 0.000 1.151 198 I CA 1.380 62.576 61.300 -0.173 0.000 1.421 198 I CB 0.152 38.166 38.000 0.022 0.000 1.079 198 I HN 0.244 nan 8.210 nan 0.000 0.431 199 Q N 0.617 120.233 119.800 -0.307 0.000 2.432 199 Q HA -0.148 4.193 4.340 0.000 0.000 0.205 199 Q C 1.723 177.264 176.000 -0.764 0.000 0.945 199 Q CA 0.885 56.488 55.803 -0.333 0.000 0.924 199 Q CB -0.340 28.349 28.738 -0.082 0.000 1.016 199 Q HN 0.806 nan 8.270 nan 0.000 0.503 200 W N 1.645 122.110 121.300 -1.392 0.000 2.235 200 W HA -0.345 4.315 4.660 0.000 0.000 0.330 200 W C 1.449 177.690 176.519 -0.464 0.000 1.329 200 W CA 1.861 58.309 57.345 -1.496 0.000 1.337 200 W CB -1.635 27.215 29.460 -1.017 0.000 1.115 200 W HN 0.203 nan 8.180 nan 0.000 0.491 201 S N 0.487 115.207 115.700 -1.634 0.000 2.515 201 S HA -0.105 4.365 4.470 0.000 0.000 0.231 201 S C 0.741 175.011 174.600 -0.549 0.000 0.987 201 S CA 0.874 58.265 58.200 -1.349 0.000 0.936 201 S CB -0.655 61.625 63.200 -1.534 0.000 0.766 201 S HN 0.286 nan 8.310 nan 0.000 0.528 202 N N 0.988 119.491 118.700 -0.328 0.000 2.949 202 N HA 0.519 5.259 4.740 0.000 0.000 0.243 202 N C -1.280 174.270 175.510 0.067 0.000 1.113 202 N CA -0.517 52.473 53.050 -0.100 0.000 0.980 202 N CB 0.459 38.919 38.487 -0.044 0.000 1.256 202 N HN 0.376 nan 8.380 nan 0.000 0.508 203 L N 1.420 122.654 121.223 0.018 0.000 2.401 203 L HA 0.584 4.924 4.340 0.000 0.000 0.266 203 L C -0.977 175.818 176.870 -0.126 0.000 0.991 203 L CA -0.767 54.075 54.840 0.004 0.000 0.818 203 L CB 2.021 44.120 42.059 0.066 0.000 1.321 203 L HN 0.294 nan 8.230 nan 0.000 0.413 204 Q N 2.673 122.337 119.800 -0.226 0.000 2.257 204 Q HA 0.648 4.989 4.340 0.000 0.000 0.255 204 Q C -1.850 173.785 176.000 -0.610 0.000 0.920 204 Q CA -0.391 55.130 55.803 -0.470 0.000 0.927 204 Q CB 1.693 30.026 28.738 -0.675 0.000 1.229 204 Q HN 0.510 nan 8.270 nan 0.000 0.433 205 V N 5.409 124.957 119.914 -0.609 0.000 2.357 205 V HA 0.440 4.560 4.120 0.000 0.000 0.284 205 V C -0.904 174.833 176.094 -0.594 0.000 1.018 205 V CA -0.603 61.397 62.300 -0.500 0.000 0.841 205 V CB 0.645 32.307 31.823 -0.269 0.000 0.991 205 V HN 0.678 nan 8.190 nan 0.000 0.437 206 F N 2.738 122.528 119.950 -0.266 0.000 2.313 206 F HA 0.344 4.871 4.527 0.000 0.000 0.369 206 F C 0.644 176.256 175.800 -0.314 0.000 1.109 206 F CA -1.243 56.594 58.000 -0.271 0.000 1.132 206 F CB 0.829 39.673 39.000 -0.261 0.000 1.291 206 F HN 0.463 nan 8.300 nan 0.000 0.496 207 D N 3.489 123.835 120.400 -0.090 0.000 2.416 207 D HA 0.244 4.884 4.640 0.000 0.000 0.240 207 D C 0.403 176.556 176.300 -0.245 0.000 1.250 207 D CA 0.233 54.129 54.000 -0.173 0.000 0.967 207 D CB 0.696 41.431 40.800 -0.108 0.000 1.059 207 D HN 0.570 nan 8.370 nan 0.000 0.512 208 A N 4.542 127.090 122.820 -0.453 0.000 2.610 208 A HA 0.151 4.471 4.320 0.000 0.000 0.286 208 A C 1.762 179.127 177.584 -0.366 0.000 1.306 208 A CA -0.419 51.219 52.037 -0.665 0.000 0.942 208 A CB -0.001 18.174 19.000 -1.374 0.000 1.112 208 A HN 0.500 nan 8.150 nan 0.000 0.527 209 R N 0.210 120.572 120.500 -0.231 0.000 2.193 209 R HA -0.088 4.252 4.340 0.000 0.000 0.229 209 R C 0.820 177.066 176.300 -0.090 0.000 1.110 209 R CA 1.098 57.119 56.100 -0.132 0.000 0.988 209 R CB -0.027 30.236 30.300 -0.062 0.000 0.871 209 R HN 0.465 nan 8.270 nan 0.000 0.458 210 N N 0.265 118.931 118.700 -0.056 0.000 2.494 210 N HA -0.074 4.666 4.740 0.000 0.000 0.182 210 N C 0.779 176.325 175.510 0.061 0.000 1.076 210 N CA 0.247 53.306 53.050 0.014 0.000 0.908 210 N CB -0.269 38.243 38.487 0.041 0.000 0.967 210 N HN 0.128 nan 8.380 nan 0.000 0.449 211 C N 1.307 120.643 119.300 0.061 0.000 2.796 211 C HA 0.113 4.573 4.460 0.000 0.000 0.394 211 C C 1.618 176.738 174.990 0.218 0.000 1.276 211 C CA 0.783 59.914 59.018 0.188 0.000 2.038 211 C CB -0.063 27.854 27.740 0.294 0.000 2.709 211 C HN 0.595 nan 8.230 nan 0.000 0.709 212 S N -0.027 115.860 115.700 0.311 0.000 2.631 212 S HA 0.208 4.678 4.470 0.000 0.000 0.248 212 S C -0.222 174.502 174.600 0.207 0.000 0.949 212 S CA 0.312 58.711 58.200 0.332 0.000 1.470 212 S CB -0.445 62.873 63.200 0.196 0.000 1.248 212 S HN 1.216 nan 8.310 nan 0.000 0.662 213 T N -1.565 113.103 114.554 0.189 0.000 2.868 213 T HA 0.839 5.189 4.350 0.000 0.000 0.306 213 T C 1.052 175.801 174.700 0.081 0.000 1.224 213 T CA -0.225 61.931 62.100 0.093 0.000 1.012 213 T CB 1.252 70.171 68.868 0.086 0.000 1.221 213 T HN 0.344 nan 8.240 nan 0.000 0.499 214 A N 0.591 123.446 122.820 0.059 0.000 1.902 214 A HA -0.071 4.249 4.320 0.000 0.000 0.217 214 A C 2.237 179.826 177.584 0.008 0.000 1.181 214 A CA 2.116 54.196 52.037 0.071 0.000 0.623 214 A CB -1.073 18.072 19.000 0.241 0.000 0.818 214 A HN 0.870 nan 8.150 nan 0.000 0.443 215 Q N 0.125 120.026 119.800 0.168 0.000 2.170 215 Q HA -0.159 4.181 4.340 0.000 0.000 0.203 215 Q C 1.738 177.774 176.000 0.061 0.000 0.976 215 Q CA 2.172 58.064 55.803 0.148 0.000 0.858 215 Q CB -0.297 28.571 28.738 0.215 0.000 0.907 215 Q HN 0.762 nan 8.270 nan 0.000 0.433 216 E N -0.805 119.440 120.200 0.074 0.000 2.112 216 E HA -0.091 4.259 4.350 0.000 0.000 0.190 216 E C 1.853 178.546 176.600 0.155 0.000 0.979 216 E CA 0.823 57.279 56.400 0.092 0.000 0.814 216 E CB -0.068 29.730 29.700 0.164 0.000 0.762 216 E HN 0.421 nan 8.360 nan 0.000 0.460 217 M N 0.218 119.883 119.600 0.109 0.000 2.099 217 M HA -0.153 4.327 4.480 0.000 0.000 0.262 217 M C 2.074 178.392 176.300 0.029 0.000 1.067 217 M CA 1.315 56.642 55.300 0.044 0.000 1.124 217 M CB -0.111 32.332 32.600 -0.261 0.000 1.353 217 M HN 0.112 nan 8.290 nan 0.000 0.410 218 F N 0.973 120.698 119.950 -0.375 0.000 2.202 218 F HA -0.272 4.255 4.527 0.000 0.000 0.301 218 F C 2.084 177.743 175.800 -0.235 0.000 1.082 218 F CA 1.909 59.611 58.000 -0.497 0.000 1.313 218 F CB -0.411 37.885 39.000 -1.172 0.000 1.024 218 F HN 0.249 nan 8.300 nan 0.000 0.495 219 Q N -1.188 118.434 119.800 -0.296 0.000 2.172 219 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 219 Q C 2.110 177.899 176.000 -0.352 0.000 0.964 219 Q CA 1.325 56.901 55.803 -0.379 0.000 0.855 219 Q CB -0.255 28.329 28.738 -0.256 0.000 0.918 219 Q HN 0.524 nan 8.270 nan 0.000 0.444 220 H N -0.207 118.809 119.070 -0.090 0.000 2.403 220 H HA -0.002 4.555 4.556 0.000 0.000 0.298 220 H C 2.019 177.289 175.328 -0.097 0.000 1.059 220 H CA 0.995 57.000 56.048 -0.072 0.000 1.363 220 H CB 0.193 30.016 29.762 0.103 0.000 1.410 220 H HN 0.256 nan 8.280 nan 0.000 0.528 221 I N -0.113 120.499 120.570 0.071 0.000 2.315 221 I HA -0.266 3.904 4.170 0.000 0.000 0.248 221 I C 2.539 178.584 176.117 -0.120 0.000 1.117 221 I CA 0.650 61.946 61.300 -0.006 0.000 1.404 221 I CB -0.201 37.788 38.000 -0.019 0.000 1.071 221 I HN 0.202 nan 8.210 nan 0.000 0.419 222 C N 0.276 119.393 119.300 -0.304 0.000 2.446 222 C HA -0.136 4.325 4.460 0.000 0.000 0.277 222 C C 2.964 177.849 174.990 -0.175 0.000 1.275 222 C CA 0.682 59.520 59.018 -0.299 0.000 1.727 222 C CB -1.117 26.329 27.740 -0.491 0.000 2.010 222 C HN 0.454 nan 8.230 nan 0.000 0.486 223 R N -0.070 120.300 120.500 -0.216 0.000 2.096 223 R HA -0.169 4.171 4.340 0.000 0.000 0.235 223 R C 2.075 178.256 176.300 -0.197 0.000 1.127 223 R CA 1.917 57.868 56.100 -0.247 0.000 0.968 223 R CB -0.579 29.477 30.300 -0.407 0.000 0.861 223 R HN 0.757 nan 8.270 nan 0.000 0.440 224 H N 0.147 119.064 119.070 -0.255 0.000 2.256 224 H HA -0.061 4.495 4.556 0.000 0.000 0.299 224 H C 2.212 177.597 175.328 0.096 0.000 1.071 224 H CA 2.378 58.403 56.048 -0.039 0.000 1.280 224 H CB -0.122 29.645 29.762 0.009 0.000 1.370 224 H HN 0.116 nan 8.280 nan 0.000 0.490 225 I N 0.092 120.818 120.570 0.260 0.000 2.145 225 I HA -0.301 3.869 4.170 0.000 0.000 0.244 225 I C 2.480 178.677 176.117 0.132 0.000 1.075 225 I CA 1.256 62.659 61.300 0.170 0.000 1.332 225 I CB -0.312 37.717 38.000 0.049 0.000 1.033 225 I HN 0.343 nan 8.210 nan 0.000 0.410 226 L N 0.056 121.325 121.223 0.076 0.000 2.046 226 L HA -0.262 4.078 4.340 0.000 0.000 0.208 226 L C 2.477 179.397 176.870 0.082 0.000 1.077 226 L CA 1.816 56.686 54.840 0.050 0.000 0.747 226 L CB -0.820 41.242 42.059 0.006 0.000 0.896 226 L HN 0.251 nan 8.230 nan 0.000 0.432 227 Y N -0.027 120.293 120.300 0.034 0.000 2.133 227 Y HA -0.166 4.384 4.550 0.000 0.000 0.287 227 Y C 2.400 178.351 175.900 0.085 0.000 1.134 227 Y CA 1.963 60.112 58.100 0.083 0.000 1.133 227 Y CB -0.628 37.958 38.460 0.210 0.000 0.987 227 Y HN 0.211 nan 8.280 nan 0.000 0.502 228 A N -0.443 122.507 122.820 0.218 0.000 1.883 228 A HA -0.204 4.116 4.320 0.000 0.000 0.217 228 A C 2.235 179.851 177.584 0.053 0.000 1.186 228 A CA 2.406 54.527 52.037 0.141 0.000 0.624 228 A CB -1.480 17.683 19.000 0.272 0.000 0.822 228 A HN 0.534 nan 8.150 nan 0.000 0.444 229 T N -0.082 114.516 114.554 0.073 0.000 2.699 229 T HA -0.184 4.166 4.350 0.000 0.000 0.268 229 T C 1.149 175.849 174.700 -0.001 0.000 1.036 229 T CA 1.525 63.660 62.100 0.057 0.000 1.147 229 T CB -0.516 68.386 68.868 0.057 0.000 0.862 229 T HN 0.650 nan 8.240 nan 0.000 0.446 230 N N 1.460 120.125 118.700 -0.058 0.000 2.702 230 N HA -0.254 4.486 4.740 0.000 0.000 0.255 230 N C -0.022 175.455 175.510 -0.055 0.000 0.983 230 N CA 0.922 53.916 53.050 -0.095 0.000 0.768 230 N CB -1.743 36.642 38.487 -0.169 0.000 0.918 230 N HN 0.432 nan 8.380 nan 0.000 0.540 231 N N -1.466 117.215 118.700 -0.033 0.000 2.735 231 N HA -0.210 4.530 4.740 0.000 0.000 0.248 231 N C 1.008 176.499 175.510 -0.032 0.000 1.083 231 N CA 2.378 55.410 53.050 -0.030 0.000 0.703 231 N CB -1.264 37.203 38.487 -0.034 0.000 1.005 231 N HN 1.160 nan 8.380 nan 0.000 0.550 232 G N -0.935 107.853 108.800 -0.020 0.000 2.284 232 G HA2 -0.344 3.616 3.960 0.000 0.000 0.230 232 G HA3 -0.344 3.616 3.960 0.000 0.000 0.230 232 G C 0.084 174.977 174.900 -0.011 0.000 1.021 232 G CA 0.219 45.309 45.100 -0.018 0.000 0.619 232 G HN 0.703 nan 8.290 nan 0.000 0.510 233 N N 2.240 120.921 118.700 -0.031 0.000 2.895 233 N HA 0.292 5.032 4.740 0.000 0.000 0.277 233 N C 0.832 176.331 175.510 -0.017 0.000 1.185 233 N CA -0.453 52.569 53.050 -0.046 0.000 1.106 233 N CB -0.483 37.967 38.487 -0.060 0.000 1.422 233 N HN 0.357 nan 8.380 nan 0.000 0.521 234 I N 2.049 122.643 120.570 0.040 0.000 2.826 234 I HA -0.082 4.088 4.170 0.000 0.000 0.295 234 I C 0.885 177.132 176.117 0.217 0.000 1.213 234 I CA 0.714 62.105 61.300 0.152 0.000 1.436 234 I CB -0.262 37.915 38.000 0.295 0.000 1.348 234 I HN 0.277 nan 8.210 nan 0.000 0.570 235 R N 3.864 124.461 120.500 0.162 0.000 2.599 235 R HA 0.415 4.755 4.340 0.000 0.000 0.295 235 R C -0.467 175.959 176.300 0.209 0.000 0.963 235 R CA -0.648 55.557 56.100 0.175 0.000 0.883 235 R CB 2.011 32.283 30.300 -0.046 0.000 1.171 235 R HN 0.551 nan 8.270 nan 0.000 0.450 236 S N 1.383 117.184 115.700 0.167 0.000 2.548 236 S HA 0.609 5.079 4.470 0.000 0.000 0.277 236 S C -0.413 174.177 174.600 -0.017 0.000 1.315 236 S CA -0.372 57.827 58.200 -0.002 0.000 1.050 236 S CB 1.447 64.547 63.200 -0.166 0.000 0.918 236 S HN 0.708 nan 8.310 nan 0.000 0.497 237 A N 2.618 125.390 122.820 -0.080 0.000 2.599 237 A HA 0.859 5.179 4.320 0.000 0.000 0.290 237 A C -1.453 176.074 177.584 -0.095 0.000 1.101 237 A CA -0.682 51.208 52.037 -0.244 0.000 0.674 237 A CB 1.146 19.888 19.000 -0.429 0.000 1.277 237 A HN 0.805 nan 8.150 nan 0.000 0.419 238 I N 0.013 120.509 120.570 -0.124 0.000 2.692 238 I HA 0.569 4.739 4.170 0.000 0.000 0.293 238 I C -1.269 174.917 176.117 0.116 0.000 1.200 238 I CA -0.081 61.325 61.300 0.176 0.000 1.036 238 I CB 2.384 40.421 38.000 0.062 0.000 1.258 238 I HN 0.563 nan 8.210 nan 0.000 0.421 239 T N 6.474 121.155 114.554 0.211 0.000 2.821 239 T HA 0.358 4.708 4.350 0.000 0.000 0.307 239 T C -0.524 173.968 174.700 -0.346 0.000 1.034 239 T CA -0.267 61.795 62.100 -0.062 0.000 0.953 239 T CB 1.015 69.836 68.868 -0.078 0.000 0.968 239 T HN 0.270 nan 8.240 nan 0.000 0.462 240 V N 5.762 125.439 119.914 -0.395 0.000 2.389 240 V HA 0.358 4.479 4.120 0.000 0.000 0.264 240 V C -0.094 175.697 176.094 -0.506 0.000 1.049 240 V CA -0.393 61.655 62.300 -0.419 0.000 0.932 240 V CB -0.474 31.056 31.823 -0.488 0.000 1.011 240 V HN 0.731 nan 8.190 nan 0.000 0.475 241 F N 5.501 125.362 119.950 -0.148 0.000 2.380 241 F HA 0.448 4.975 4.527 0.000 0.000 0.321 241 F C -1.731 173.960 175.800 -0.182 0.000 1.103 241 F CA -2.627 55.237 58.000 -0.228 0.000 1.067 241 F CB 0.835 39.734 39.000 -0.168 0.000 1.265 241 F HN 0.324 nan 8.300 nan 0.000 0.517 242 P HA -0.112 nan 4.420 nan 0.000 0.257 242 P C -0.984 176.367 177.300 0.085 0.000 1.162 242 P CA 0.228 63.209 63.100 -0.198 0.000 0.762 242 P CB 0.074 31.386 31.700 -0.646 0.000 0.753 243 Q N 3.845 123.738 119.800 0.155 0.000 2.428 243 Q HA 0.004 4.344 4.340 0.000 0.000 0.276 243 Q C 0.228 176.186 176.000 -0.070 0.000 1.059 243 Q CA -0.330 55.332 55.803 -0.234 0.000 0.923 243 Q CB 0.731 28.983 28.738 -0.811 0.000 1.283 243 Q HN 0.373 nan 8.270 nan 0.000 0.447 244 R N 1.249 121.689 120.500 -0.100 0.000 2.537 244 R HA 0.027 4.367 4.340 0.000 0.000 0.280 244 R C 0.030 176.313 176.300 -0.029 0.000 1.058 244 R CA 0.732 56.835 56.100 0.005 0.000 1.057 244 R CB 0.578 30.871 30.300 -0.011 0.000 0.973 244 R HN 0.949 nan 8.270 nan 0.000 0.438 245 S N 2.507 118.227 115.700 0.033 0.000 3.049 245 S HA -0.047 4.423 4.470 0.000 0.000 0.182 245 S C 1.088 175.685 174.600 -0.005 0.000 0.725 245 S CA 0.209 58.423 58.200 0.022 0.000 0.811 245 S CB -0.210 63.038 63.200 0.080 0.000 0.801 245 S HN 0.827 nan 8.310 nan 0.000 0.627 246 D N 0.669 121.049 120.400 -0.034 0.000 2.240 246 D HA 0.257 4.897 4.640 0.000 0.000 0.206 246 D C 1.564 177.808 176.300 -0.095 0.000 0.963 246 D CA 1.428 55.373 54.000 -0.091 0.000 0.863 246 D CB -0.189 40.501 40.800 -0.184 0.000 0.973 246 D HN 0.816 nan 8.370 nan 0.000 0.501 247 G N 0.671 109.421 108.800 -0.083 0.000 2.541 247 G HA2 -0.255 3.705 3.960 0.000 0.000 0.201 247 G HA3 -0.255 3.705 3.960 0.000 0.000 0.201 247 G C 1.140 176.014 174.900 -0.043 0.000 1.026 247 G CA 0.191 45.264 45.100 -0.045 0.000 0.687 247 G HN 0.288 nan 8.290 nan 0.000 0.492 248 K N 0.980 121.292 120.400 -0.146 0.000 2.487 248 K HA 0.266 4.586 4.320 0.000 0.000 0.192 248 K C 0.494 177.150 176.600 0.094 0.000 1.027 248 K CA 0.563 56.802 56.287 -0.080 0.000 1.054 248 K CB 0.037 32.448 32.500 -0.149 0.000 0.824 248 K HN 0.530 nan 8.250 nan 0.000 0.510 249 H N 0.485 119.574 119.070 0.033 0.000 2.474 249 H HA 0.267 4.824 4.556 0.000 0.000 0.250 249 H C -0.888 174.474 175.328 0.056 0.000 1.307 249 H CA -1.114 54.949 56.048 0.025 0.000 1.058 249 H CB -0.405 29.394 29.762 0.061 0.000 1.693 249 H HN -0.025 nan 8.280 nan 0.000 0.552 250 D N 0.415 120.895 120.400 0.133 0.000 2.256 250 D HA 0.147 4.787 4.640 0.000 0.000 0.250 250 D C -0.059 176.265 176.300 0.041 0.000 1.093 250 D CA -0.178 53.907 54.000 0.142 0.000 0.882 250 D CB 0.906 41.776 40.800 0.117 0.000 1.185 250 D HN 0.066 nan 8.370 nan 0.000 0.437 251 F N 2.571 122.574 119.950 0.089 0.000 2.405 251 F HA 0.384 4.911 4.527 0.000 0.000 0.355 251 F C 0.808 176.650 175.800 0.071 0.000 1.121 251 F CA -0.314 57.713 58.000 0.046 0.000 1.112 251 F CB 0.810 39.844 39.000 0.056 0.000 1.126 251 F HN -0.149 nan 8.300 nan 0.000 0.481 252 R N 4.118 124.710 120.500 0.153 0.000 2.564 252 R HA 0.441 4.781 4.340 0.000 0.000 0.284 252 R C -1.686 174.772 176.300 0.263 0.000 1.031 252 R CA -1.065 55.168 56.100 0.222 0.000 0.904 252 R CB 2.125 32.580 30.300 0.258 0.000 1.199 252 R HN 0.515 nan 8.270 nan 0.000 0.443 253 L N 2.429 123.796 121.223 0.240 0.000 2.260 253 L HA 0.307 4.647 4.340 0.000 0.000 0.289 253 L C 0.809 177.921 176.870 0.404 0.000 1.057 253 L CA -0.159 54.823 54.840 0.236 0.000 0.811 253 L CB 0.601 42.734 42.059 0.124 0.000 1.184 253 L HN 0.561 nan 8.230 nan 0.000 0.429 254 W N 0.885 122.276 121.300 0.151 0.000 2.595 254 W HA -0.022 4.638 4.660 0.000 0.000 0.257 254 W C 0.800 177.482 176.519 0.271 0.000 1.267 254 W CA -0.309 57.222 57.345 0.309 0.000 1.300 254 W CB -0.944 28.743 29.460 0.378 0.000 1.120 254 W HN 0.493 nan 8.180 nan 0.000 0.618 255 N N -0.363 118.489 118.700 0.254 0.000 2.399 255 N HA 0.034 4.774 4.740 0.000 0.000 0.250 255 N C 1.416 176.795 175.510 -0.219 0.000 1.272 255 N CA 0.834 53.721 53.050 -0.271 0.000 0.928 255 N CB 0.636 39.040 38.487 -0.139 0.000 1.158 255 N HN -0.145 nan 8.380 nan 0.000 0.463 256 S N -0.197 115.302 115.700 -0.335 0.000 2.404 256 S HA 0.047 4.517 4.470 0.000 0.000 0.223 256 S C 0.288 174.796 174.600 -0.153 0.000 1.040 256 S CA 0.472 58.572 58.200 -0.166 0.000 0.957 256 S CB 0.014 63.136 63.200 -0.129 0.000 0.826 256 S HN 0.621 nan 8.310 nan 0.000 0.491 257 Q N -0.549 119.148 119.800 -0.172 0.000 2.484 257 Q HA 0.543 4.883 4.340 0.000 0.000 0.285 257 Q C 0.383 176.277 176.000 -0.177 0.000 1.097 257 Q CA -0.636 55.072 55.803 -0.158 0.000 0.802 257 Q CB 1.899 30.590 28.738 -0.077 0.000 1.444 257 Q HN 0.103 nan 8.270 nan 0.000 0.429 258 L N 0.242 121.360 121.223 -0.176 0.000 1.973 258 L HA -0.011 4.329 4.340 0.000 0.000 0.208 258 L C 0.688 177.441 176.870 -0.195 0.000 1.073 258 L CA 1.057 55.802 54.840 -0.158 0.000 0.746 258 L CB 0.014 41.980 42.059 -0.156 0.000 0.891 258 L HN 0.507 nan 8.230 nan 0.000 0.433 259 I N 0.461 120.858 120.570 -0.289 0.000 2.342 259 I HA 0.346 4.516 4.170 0.000 0.000 0.291 259 I C -0.190 175.375 176.117 -0.921 0.000 1.010 259 I CA -0.043 60.926 61.300 -0.552 0.000 1.308 259 I CB 1.079 38.694 38.000 -0.643 0.000 1.400 259 I HN 0.186 nan 8.210 nan 0.000 0.488 260 R N 5.336 125.360 120.500 -0.793 0.000 2.560 260 R HA 0.354 4.694 4.340 0.000 0.000 0.267 260 R C -1.723 174.404 176.300 -0.287 0.000 1.150 260 R CA -0.600 55.138 56.100 -0.603 0.000 0.997 260 R CB 0.653 30.801 30.300 -0.253 0.000 1.250 260 R HN 0.256 nan 8.270 nan 0.000 0.433 261 Y N 1.862 122.105 120.300 -0.096 0.000 2.397 261 Y HA 0.506 5.056 4.550 0.000 0.000 0.335 261 Y C 1.116 177.035 175.900 0.032 0.000 1.213 261 Y CA -0.007 58.119 58.100 0.043 0.000 1.391 261 Y CB 0.656 39.252 38.460 0.227 0.000 1.293 261 Y HN 0.716 nan 8.280 nan 0.000 0.557 262 A N 1.308 124.224 122.820 0.159 0.000 2.271 262 A HA 0.750 5.070 4.320 0.000 0.000 0.288 262 A C 0.353 177.752 177.584 -0.308 0.000 1.094 262 A CA 0.048 52.024 52.037 -0.103 0.000 0.828 262 A CB 0.225 19.131 19.000 -0.156 0.000 1.091 262 A HN 0.900 nan 8.150 nan 0.000 0.493 263 G N -0.134 108.426 108.800 -0.399 0.000 2.683 263 G HA2 0.571 4.531 3.960 0.000 0.000 0.299 263 G HA3 0.571 4.531 3.960 0.000 0.000 0.299 263 G C -1.237 173.464 174.900 -0.332 0.000 1.432 263 G CA -0.257 44.633 45.100 -0.350 0.000 0.978 263 G HN 0.535 nan 8.290 nan 0.000 0.513 264 Y N 0.993 121.363 120.300 0.116 0.000 2.377 264 Y HA 0.454 5.004 4.550 0.000 0.000 0.339 264 Y C 0.457 176.432 175.900 0.126 0.000 1.011 264 Y CA -1.205 56.993 58.100 0.164 0.000 1.093 264 Y CB 2.274 40.911 38.460 0.295 0.000 1.201 264 Y HN 0.288 nan 8.280 nan 0.000 0.455 265 Q N 4.266 124.229 119.800 0.271 0.000 2.423 265 Q HA 0.212 4.552 4.340 0.000 0.000 0.235 265 Q C -0.602 175.486 176.000 0.146 0.000 1.100 265 Q CA -0.313 55.585 55.803 0.159 0.000 0.908 265 Q CB 0.425 29.234 28.738 0.119 0.000 1.312 265 Q HN 0.660 nan 8.270 nan 0.000 0.497 266 M N 4.737 124.407 119.600 0.117 0.000 2.240 266 M HA 0.084 4.564 4.480 0.000 0.000 0.317 266 M C -1.308 174.993 176.300 0.003 0.000 1.087 266 M CA -1.946 53.382 55.300 0.047 0.000 1.176 266 M CB -0.683 31.940 32.600 0.038 0.000 1.439 266 M HN 0.233 nan 8.290 nan 0.000 0.452 267 P HA -0.165 nan 4.420 nan 0.000 0.214 267 P C 0.272 177.556 177.300 -0.026 0.000 1.163 267 P CA 1.410 64.481 63.100 -0.048 0.000 0.883 267 P CB -0.101 31.548 31.700 -0.085 0.000 0.788 268 D N -1.553 118.832 120.400 -0.025 0.000 2.370 268 D HA 0.044 4.684 4.640 0.000 0.000 0.256 268 D C 1.409 177.708 176.300 -0.002 0.000 1.197 268 D CA 0.842 54.834 54.000 -0.015 0.000 0.922 268 D CB -1.273 39.517 40.800 -0.017 0.000 0.911 268 D HN 0.310 nan 8.370 nan 0.000 0.517 269 G N -0.155 108.649 108.800 0.005 0.000 2.347 269 G HA2 -0.337 3.623 3.960 0.000 0.000 0.247 269 G HA3 -0.337 3.623 3.960 0.000 0.000 0.247 269 G C 0.682 175.595 174.900 0.023 0.000 1.037 269 G CA 0.658 45.767 45.100 0.015 0.000 0.622 269 G HN 0.846 nan 8.290 nan 0.000 0.521 270 T N 0.177 114.744 114.554 0.021 0.000 2.813 270 T HA 0.601 4.951 4.350 0.000 0.000 0.297 270 T C 0.389 175.115 174.700 0.042 0.000 1.036 270 T CA -0.039 62.077 62.100 0.028 0.000 1.044 270 T CB 1.402 70.283 68.868 0.022 0.000 0.993 270 T HN 0.589 nan 8.240 nan 0.000 0.535 271 I N 1.215 121.809 120.570 0.040 0.000 2.433 271 I HA 0.493 4.663 4.170 0.000 0.000 0.292 271 I C 0.317 176.455 176.117 0.034 0.000 1.001 271 I CA -0.771 60.556 61.300 0.045 0.000 1.119 271 I CB 1.500 39.514 38.000 0.023 0.000 1.289 271 I HN 0.802 nan 8.210 nan 0.000 0.438 272 R N 3.127 123.669 120.500 0.071 0.000 2.637 272 R HA 0.668 5.009 4.340 0.000 0.000 0.291 272 R C 0.244 176.529 176.300 -0.025 0.000 0.963 272 R CA 0.296 56.432 56.100 0.060 0.000 0.901 272 R CB 1.921 32.328 30.300 0.178 0.000 1.160 272 R HN 0.935 nan 8.270 nan 0.000 0.457 273 G N 2.610 111.338 108.800 -0.121 0.000 2.527 273 G HA2 -0.269 3.691 3.960 0.000 0.000 0.227 273 G HA3 -0.269 3.691 3.960 0.000 0.000 0.227 273 G C -1.015 173.562 174.900 -0.537 0.000 1.291 273 G CA -0.007 44.971 45.100 -0.204 0.000 0.904 273 G HN 0.660 nan 8.290 nan 0.000 0.577 274 D N 1.770 122.002 120.400 -0.281 0.000 2.374 274 D HA 0.514 5.154 4.640 0.000 0.000 0.240 274 D C 1.560 177.800 176.300 -0.099 0.000 1.229 274 D CA 0.803 54.684 54.000 -0.197 0.000 0.895 274 D CB 0.601 41.599 40.800 0.331 0.000 1.046 274 D HN 0.978 nan 8.370 nan 0.000 0.498 275 A N 3.629 126.368 122.820 -0.135 0.000 2.186 275 A HA -0.052 4.268 4.320 0.000 0.000 0.219 275 A C 1.983 179.584 177.584 0.029 0.000 1.159 275 A CA 1.492 53.507 52.037 -0.037 0.000 0.680 275 A CB -0.110 18.874 19.000 -0.027 0.000 0.787 275 A HN 0.596 nan 8.150 nan 0.000 0.467 276 A N -0.443 122.416 122.820 0.066 0.000 2.016 276 A HA 0.050 4.370 4.320 0.000 0.000 0.217 276 A C 2.067 179.709 177.584 0.097 0.000 1.162 276 A CA 1.738 53.832 52.037 0.095 0.000 0.662 276 A CB -0.751 18.325 19.000 0.127 0.000 0.812 276 A HN 0.731 nan 8.150 nan 0.000 0.450 277 T N -2.441 112.165 114.554 0.087 0.000 3.206 277 T HA 0.326 4.676 4.350 0.000 0.000 0.253 277 T C 1.407 176.153 174.700 0.077 0.000 1.042 277 T CA 0.001 62.156 62.100 0.091 0.000 0.931 277 T CB -0.386 68.533 68.868 0.086 0.000 1.029 277 T HN 0.254 nan 8.240 nan 0.000 0.564 278 L N 0.249 121.508 121.223 0.060 0.000 2.043 278 L HA -0.129 4.211 4.340 0.000 0.000 0.212 278 L C 2.896 179.808 176.870 0.069 0.000 1.075 278 L CA 1.683 56.557 54.840 0.057 0.000 0.752 278 L CB -0.407 41.690 42.059 0.063 0.000 0.891 278 L HN 0.328 nan 8.230 nan 0.000 0.432 279 E N -0.187 120.067 120.200 0.089 0.000 2.012 279 E HA -0.270 4.081 4.350 0.000 0.000 0.197 279 E C 1.914 178.512 176.600 -0.002 0.000 1.007 279 E CA 1.613 58.058 56.400 0.075 0.000 0.816 279 E CB -0.383 29.408 29.700 0.151 0.000 0.762 279 E HN 0.306 nan 8.360 nan 0.000 0.451 280 F N 0.705 120.553 119.950 -0.169 0.000 2.202 280 F HA -0.223 4.305 4.527 0.000 0.000 0.301 280 F C 2.273 177.957 175.800 -0.194 0.000 1.082 280 F CA 1.694 59.525 58.000 -0.281 0.000 1.313 280 F CB -0.443 38.420 39.000 -0.227 0.000 1.024 280 F HN 0.024 nan 8.300 nan 0.000 0.495 281 T N -0.454 114.101 114.554 0.001 0.000 2.746 281 T HA -0.255 4.095 4.350 0.000 0.000 0.267 281 T C 1.761 176.446 174.700 -0.026 0.000 1.039 281 T CA 1.609 63.683 62.100 -0.043 0.000 1.142 281 T CB -0.268 68.601 68.868 0.001 0.000 0.866 281 T HN 0.254 nan 8.240 nan 0.000 0.444 282 Q N 0.790 120.584 119.800 -0.011 0.000 2.030 282 Q HA -0.084 4.256 4.340 0.000 0.000 0.204 282 Q C 2.141 178.090 176.000 -0.085 0.000 0.986 282 Q CA 1.433 57.238 55.803 0.004 0.000 0.843 282 Q CB -0.912 27.832 28.738 0.010 0.000 0.904 282 Q HN 0.412 nan 8.270 nan 0.000 0.420 283 L N -0.091 121.001 121.223 -0.219 0.000 1.997 283 L HA -0.257 4.083 4.340 0.000 0.000 0.216 283 L C 2.322 179.031 176.870 -0.269 0.000 1.074 283 L CA 2.139 56.806 54.840 -0.290 0.000 0.763 283 L CB -1.141 40.610 42.059 -0.512 0.000 0.890 283 L HN 0.462 nan 8.230 nan 0.000 0.434 284 C N -0.576 118.489 119.300 -0.392 0.000 2.403 284 C HA -0.186 4.274 4.460 0.000 0.000 0.277 284 C C 2.756 177.763 174.990 0.028 0.000 1.248 284 C CA 1.038 59.880 59.018 -0.293 0.000 1.762 284 C CB -1.019 26.406 27.740 -0.526 0.000 2.014 284 C HN 0.601 nan 8.230 nan 0.000 0.486 285 I N 0.674 121.303 120.570 0.099 0.000 2.315 285 I HA -0.171 3.999 4.170 0.000 0.000 0.248 285 I C 2.085 178.229 176.117 0.044 0.000 1.117 285 I CA 1.453 62.837 61.300 0.141 0.000 1.404 285 I CB -0.520 37.557 38.000 0.130 0.000 1.071 285 I HN 0.357 nan 8.210 nan 0.000 0.419 286 D N 0.906 121.300 120.400 -0.010 0.000 2.144 286 D HA -0.094 4.546 4.640 0.000 0.000 0.199 286 D C 1.826 178.103 176.300 -0.038 0.000 0.984 286 D CA 1.192 55.168 54.000 -0.040 0.000 0.834 286 D CB -0.119 40.634 40.800 -0.079 0.000 0.955 286 D HN 0.325 nan 8.370 nan 0.000 0.465 287 L N 0.148 121.351 121.223 -0.034 0.000 2.672 287 L HA 0.237 4.577 4.340 0.000 0.000 0.236 287 L C 0.836 177.698 176.870 -0.014 0.000 1.186 287 L CA -0.138 54.687 54.840 -0.025 0.000 0.977 287 L CB -0.544 41.484 42.059 -0.052 0.000 1.203 287 L HN 0.001 nan 8.230 nan 0.000 0.448 288 G N -0.017 108.789 108.800 0.009 0.000 2.353 288 G HA2 -0.289 3.671 3.960 0.000 0.000 0.294 288 G HA3 -0.289 3.671 3.960 0.000 0.000 0.294 288 G C -0.698 174.244 174.900 0.070 0.000 1.077 288 G CA -0.226 44.881 45.100 0.013 0.000 1.098 288 G HN 0.469 nan 8.290 nan 0.000 0.511 289 W N 1.285 122.525 121.300 -0.099 0.000 2.606 289 W HA 0.728 5.388 4.660 0.000 0.000 0.332 289 W C -0.135 176.334 176.519 -0.084 0.000 1.052 289 W CA -1.710 55.578 57.345 -0.095 0.000 1.223 289 W CB 1.142 30.544 29.460 -0.096 0.000 1.383 289 W HN -0.017 nan 8.180 nan 0.000 0.524 290 K N 6.947 126.859 120.400 -0.814 0.000 2.250 290 K HA 0.216 4.536 4.320 0.000 0.000 0.285 290 K C -2.372 173.470 176.600 -1.263 0.000 1.097 290 K CA -1.790 54.029 56.287 -0.780 0.000 0.913 290 K CB 0.560 32.752 32.500 -0.515 0.000 1.179 290 K HN 0.274 nan 8.250 nan 0.000 0.462 291 P HA 0.185 nan 4.420 nan 0.000 0.275 291 P C -0.075 176.635 177.300 -0.985 0.000 1.276 291 P CA -0.167 62.261 63.100 -1.119 0.000 0.782 291 P CB 0.525 31.591 31.700 -1.056 0.000 0.851 292 R N 2.279 122.376 120.500 -0.672 0.000 2.325 292 R HA 0.043 4.383 4.340 0.000 0.000 0.214 292 R C -0.068 176.091 176.300 -0.235 0.000 0.961 292 R CA -0.310 55.587 56.100 -0.339 0.000 1.086 292 R CB -0.767 29.435 30.300 -0.165 0.000 1.037 292 R HN 0.437 nan 8.270 nan 0.000 0.493 293 Y N -0.289 119.715 120.300 -0.494 0.000 2.993 293 Y HA -0.294 4.256 4.550 0.000 0.000 0.206 293 Y C 0.840 176.714 175.900 -0.043 0.000 1.256 293 Y CA 0.758 58.525 58.100 -0.555 0.000 0.808 293 Y CB -1.532 36.657 38.460 -0.451 0.000 1.211 293 Y HN 0.265 nan 8.280 nan 0.000 0.417 294 G N 0.151 109.163 108.800 0.353 0.000 2.798 294 G HA2 0.605 4.565 3.960 0.000 0.000 0.286 294 G HA3 0.605 4.565 3.960 0.000 0.000 0.286 294 G C 0.313 175.321 174.900 0.179 0.000 1.389 294 G CA -1.085 44.146 45.100 0.219 0.000 0.894 294 G HN 0.234 nan 8.290 nan 0.000 0.488 295 R N -1.211 119.250 120.500 -0.066 0.000 2.127 295 R HA 0.109 4.449 4.340 0.000 0.000 0.217 295 R C -0.019 175.976 176.300 -0.508 0.000 1.074 295 R CA 0.984 56.884 56.100 -0.334 0.000 0.991 295 R CB 0.006 29.911 30.300 -0.658 0.000 0.895 295 R HN 0.328 nan 8.270 nan 0.000 0.450 296 F N 1.047 120.913 119.950 -0.141 0.000 2.597 296 F HA 0.268 4.795 4.527 0.000 0.000 0.336 296 F C -0.847 174.766 175.800 -0.311 0.000 1.432 296 F CA -1.509 56.097 58.000 -0.656 0.000 1.120 296 F CB 0.459 38.965 39.000 -0.823 0.000 1.253 296 F HN -0.296 nan 8.300 nan 0.000 0.546 297 D N 1.399 121.881 120.400 0.136 0.000 2.313 297 D HA 0.220 4.860 4.640 0.000 0.000 0.239 297 D C 0.212 176.735 176.300 0.372 0.000 1.142 297 D CA -0.017 54.156 54.000 0.289 0.000 0.847 297 D CB 2.191 43.231 40.800 0.400 0.000 1.082 297 D HN -0.068 nan 8.370 nan 0.000 0.480 298 V N 3.588 123.716 119.914 0.356 0.000 2.540 298 V HA -0.034 4.086 4.120 0.000 0.000 0.297 298 V C 1.092 177.283 176.094 0.162 0.000 1.024 298 V CA -0.217 62.233 62.300 0.249 0.000 1.105 298 V CB 0.087 32.005 31.823 0.158 0.000 0.938 298 V HN 0.363 nan 8.190 nan 0.000 0.482 299 L N 8.213 129.429 121.223 -0.012 0.000 2.467 299 L HA 0.293 4.633 4.340 0.000 0.000 0.270 299 L C -1.719 175.014 176.870 -0.228 0.000 1.205 299 L CA -1.269 53.422 54.840 -0.248 0.000 0.828 299 L CB 0.840 42.813 42.059 -0.143 0.000 1.101 299 L HN 0.492 nan 8.230 nan 0.000 0.479 300 P HA 0.151 nan 4.420 nan 0.000 0.282 300 P C -0.923 176.330 177.300 -0.079 0.000 1.249 300 P CA -0.509 62.434 63.100 -0.261 0.000 0.806 300 P CB 1.000 32.361 31.700 -0.564 0.000 0.984 301 L N 2.672 123.938 121.223 0.071 0.000 2.433 301 L HA 0.137 4.477 4.340 0.000 0.000 0.275 301 L C 0.279 177.241 176.870 0.152 0.000 1.128 301 L CA -0.423 54.506 54.840 0.149 0.000 0.875 301 L CB 0.553 42.751 42.059 0.232 0.000 1.171 301 L HN 0.131 nan 8.230 nan 0.000 0.463 302 V N 6.447 126.446 119.914 0.143 0.000 2.318 302 V HA 0.325 4.445 4.120 0.000 0.000 0.271 302 V C 0.247 176.338 176.094 -0.005 0.000 1.030 302 V CA -0.314 61.998 62.300 0.019 0.000 0.844 302 V CB 1.011 32.842 31.823 0.012 0.000 1.015 302 V HN 0.494 nan 8.190 nan 0.000 0.460 303 L N 4.832 126.040 121.223 -0.026 0.000 2.334 303 L HA 0.662 5.002 4.340 0.000 0.000 0.276 303 L C -0.213 176.510 176.870 -0.246 0.000 1.014 303 L CA -0.472 54.326 54.840 -0.070 0.000 0.815 303 L CB 1.848 43.919 42.059 0.021 0.000 1.268 303 L HN 0.589 nan 8.230 nan 0.000 0.428 304 Q N 2.550 122.194 119.800 -0.259 0.000 2.327 304 Q HA 0.715 5.055 4.340 0.000 0.000 0.270 304 Q C -1.613 174.199 176.000 -0.312 0.000 1.022 304 Q CA -0.557 55.050 55.803 -0.327 0.000 0.773 304 Q CB 2.232 30.801 28.738 -0.282 0.000 1.251 304 Q HN 0.807 nan 8.270 nan 0.000 0.457 305 A N 3.540 126.120 122.820 -0.400 0.000 2.350 305 A HA 0.443 4.763 4.320 0.000 0.000 0.324 305 A C -0.357 176.693 177.584 -0.890 0.000 1.118 305 A CA -0.276 51.309 52.037 -0.753 0.000 0.783 305 A CB 1.101 19.869 19.000 -0.388 0.000 1.236 305 A HN 1.005 nan 8.150 nan 0.000 0.457 306 D N 1.071 120.447 120.400 -1.707 0.000 2.810 306 D HA -0.083 4.557 4.640 0.000 0.000 0.224 306 D C 1.350 177.460 176.300 -0.317 0.000 1.222 306 D CA 2.582 56.117 54.000 -0.773 0.000 0.698 306 D CB -1.000 39.586 40.800 -0.356 0.000 0.961 306 D HN 2.001 nan 8.370 nan 0.000 0.403 307 G N -0.235 108.439 108.800 -0.210 0.000 2.238 307 G HA2 -0.432 3.528 3.960 0.000 0.000 0.270 307 G HA3 -0.432 3.528 3.960 0.000 0.000 0.270 307 G C 0.757 175.659 174.900 0.002 0.000 0.977 307 G CA 1.004 46.105 45.100 0.002 0.000 0.639 307 G HN 0.593 nan 8.290 nan 0.000 0.544 308 Q N 0.697 120.424 119.800 -0.123 0.000 2.779 308 Q HA 0.186 4.526 4.340 0.000 0.000 0.187 308 Q C 0.450 176.379 176.000 -0.118 0.000 1.187 308 Q CA 0.413 56.154 55.803 -0.104 0.000 1.274 308 Q CB 0.059 28.704 28.738 -0.156 0.000 1.504 308 Q HN 0.574 nan 8.270 nan 0.000 0.683 309 D N 1.267 121.556 120.400 -0.186 0.000 2.277 309 D HA 0.314 4.954 4.640 0.000 0.000 0.250 309 D C -2.142 173.858 176.300 -0.501 0.000 1.032 309 D CA -1.305 52.490 54.000 -0.342 0.000 0.947 309 D CB 1.266 41.916 40.800 -0.250 0.000 1.159 309 D HN 0.230 nan 8.370 nan 0.000 0.460 310 P HA 0.178 nan 4.420 nan 0.000 0.282 310 P C -0.924 176.088 177.300 -0.480 0.000 1.262 310 P CA -0.061 62.540 63.100 -0.832 0.000 0.773 310 P CB 1.168 31.918 31.700 -1.582 0.000 0.879 311 E N 1.433 121.438 120.200 -0.325 0.000 2.195 311 E HA 0.406 4.756 4.350 0.000 0.000 0.271 311 E C -0.623 175.783 176.600 -0.323 0.000 0.923 311 E CA -1.185 55.031 56.400 -0.305 0.000 0.790 311 E CB 2.003 31.552 29.700 -0.252 0.000 1.155 311 E HN 0.192 nan 8.360 nan 0.000 0.402 312 V N 3.637 123.260 119.914 -0.485 0.000 2.427 312 V HA 0.408 4.528 4.120 0.000 0.000 0.286 312 V C -0.759 174.952 176.094 -0.638 0.000 1.034 312 V CA -0.486 61.592 62.300 -0.370 0.000 0.893 312 V CB 0.168 31.854 31.823 -0.229 0.000 0.982 312 V HN 0.512 nan 8.190 nan 0.000 0.452 313 F N 1.659 121.454 119.950 -0.258 0.000 2.539 313 F HA 0.469 4.996 4.527 0.000 0.000 0.318 313 F C 0.416 176.090 175.800 -0.210 0.000 1.135 313 F CA -0.764 56.973 58.000 -0.439 0.000 0.915 313 F CB 1.625 39.964 39.000 -1.101 0.000 1.176 313 F HN 0.403 nan 8.300 nan 0.000 0.440 314 E N 3.414 123.655 120.200 0.067 0.000 2.338 314 E HA 0.310 4.660 4.350 0.000 0.000 0.272 314 E C -0.439 176.320 176.600 0.265 0.000 1.029 314 E CA -0.413 56.102 56.400 0.193 0.000 0.872 314 E CB 1.448 31.285 29.700 0.229 0.000 1.015 314 E HN 0.478 nan 8.360 nan 0.000 0.417 315 I N 5.189 125.917 120.570 0.263 0.000 2.436 315 I HA 0.064 4.234 4.170 0.000 0.000 0.289 315 I C -2.029 174.215 176.117 0.212 0.000 1.083 315 I CA -1.906 59.557 61.300 0.273 0.000 1.372 315 I CB 0.116 38.209 38.000 0.156 0.000 1.408 315 I HN 0.175 nan 8.210 nan 0.000 0.516 316 P HA -0.002 nan 4.420 nan 0.000 0.255 316 P C -1.947 175.416 177.300 0.106 0.000 1.173 316 P CA -0.674 62.518 63.100 0.153 0.000 0.780 316 P CB 0.031 31.809 31.700 0.129 0.000 0.758 317 P HA -0.230 nan 4.420 nan 0.000 0.218 317 P C 0.772 178.111 177.300 0.064 0.000 1.147 317 P CA 1.434 64.585 63.100 0.086 0.000 0.827 317 P CB -0.033 31.717 31.700 0.084 0.000 0.778 318 D N -1.521 118.912 120.400 0.055 0.000 2.348 318 D HA -0.012 4.628 4.640 0.000 0.000 0.216 318 D C 1.701 178.020 176.300 0.032 0.000 0.970 318 D CA 0.741 54.764 54.000 0.038 0.000 0.889 318 D CB 0.010 40.829 40.800 0.032 0.000 0.912 318 D HN 0.288 nan 8.370 nan 0.000 0.524 319 L N 0.161 121.406 121.223 0.037 0.000 2.416 319 L HA 0.064 4.404 4.340 0.000 0.000 0.216 319 L C 0.702 177.592 176.870 0.034 0.000 1.098 319 L CA 0.191 55.048 54.840 0.027 0.000 0.840 319 L CB 0.569 42.638 42.059 0.016 0.000 0.981 319 L HN -0.236 nan 8.230 nan 0.000 0.462 320 V N 2.549 122.487 119.914 0.041 0.000 2.356 320 V HA 0.099 4.219 4.120 0.000 0.000 0.258 320 V C -0.015 176.107 176.094 0.048 0.000 1.065 320 V CA -0.364 61.961 62.300 0.041 0.000 0.935 320 V CB 1.039 32.887 31.823 0.042 0.000 1.061 320 V HN 0.051 nan 8.190 nan 0.000 0.484 321 L N 6.322 127.574 121.223 0.048 0.000 2.305 321 L HA 0.526 4.866 4.340 0.000 0.000 0.281 321 L C 0.052 176.936 176.870 0.024 0.000 1.085 321 L CA 0.598 55.453 54.840 0.026 0.000 0.813 321 L CB 0.808 42.877 42.059 0.016 0.000 1.157 321 L HN 0.659 nan 8.230 nan 0.000 0.436 322 E N 3.121 123.314 120.200 -0.011 0.000 2.299 322 E HA 0.656 5.006 4.350 0.000 0.000 0.265 322 E C -1.467 175.051 176.600 -0.137 0.000 0.911 322 E CA -1.044 55.335 56.400 -0.035 0.000 0.789 322 E CB 2.464 32.173 29.700 0.015 0.000 1.246 322 E HN 0.411 nan 8.360 nan 0.000 0.427 323 V N 1.469 121.265 119.914 -0.196 0.000 2.540 323 V HA 0.296 4.416 4.120 0.000 0.000 0.302 323 V C -0.427 175.604 176.094 -0.105 0.000 1.035 323 V CA -0.797 61.337 62.300 -0.278 0.000 0.873 323 V CB 1.893 33.298 31.823 -0.698 0.000 0.992 323 V HN 0.701 nan 8.190 nan 0.000 0.428 324 T N 6.189 120.703 114.554 -0.067 0.000 2.749 324 T HA 0.392 4.742 4.350 0.000 0.000 0.295 324 T C 0.153 174.894 174.700 0.068 0.000 0.936 324 T CA -0.562 61.543 62.100 0.008 0.000 1.060 324 T CB 0.580 69.457 68.868 0.014 0.000 0.904 324 T HN 0.349 nan 8.240 nan 0.000 0.500 325 M N 3.650 123.344 119.600 0.157 0.000 2.246 325 M HA 0.256 4.737 4.480 0.000 0.000 0.350 325 M C 0.423 176.907 176.300 0.306 0.000 1.406 325 M CA 0.110 55.572 55.300 0.269 0.000 1.089 325 M CB -0.631 32.209 32.600 0.400 0.000 1.782 325 M HN 0.706 nan 8.290 nan 0.000 0.457 326 E N 2.399 122.739 120.200 0.234 0.000 2.307 326 E HA 0.170 4.520 4.350 0.000 0.000 0.280 326 E C -1.530 175.134 176.600 0.107 0.000 0.900 326 E CA -0.475 56.055 56.400 0.217 0.000 0.790 326 E CB 1.461 31.240 29.700 0.133 0.000 1.261 326 E HN 0.697 nan 8.360 nan 0.000 0.405 327 H N 5.573 124.558 119.070 -0.143 0.000 2.525 327 H HA 0.234 4.790 4.556 0.000 0.000 0.339 327 H C -1.758 173.383 175.328 -0.312 0.000 1.109 327 H CA -1.748 54.053 56.048 -0.412 0.000 1.352 327 H CB 1.876 31.214 29.762 -0.708 0.000 1.461 327 H HN 0.426 nan 8.280 nan 0.000 0.533 328 P HA -0.021 nan 4.420 nan 0.000 0.242 328 P C 0.376 177.538 177.300 -0.231 0.000 1.197 328 P CA 0.718 63.414 63.100 -0.672 0.000 0.765 328 P CB 0.731 31.763 31.700 -1.115 0.000 0.936 329 K N -1.339 119.089 120.400 0.046 0.000 2.567 329 K HA 0.146 4.466 4.320 0.000 0.000 0.199 329 K C 0.759 177.470 176.600 0.185 0.000 1.412 329 K CA 0.286 56.619 56.287 0.077 0.000 1.020 329 K CB 0.077 32.595 32.500 0.030 0.000 1.487 329 K HN 0.260 nan 8.250 nan 0.000 0.531 330 Y N 2.999 123.199 120.300 -0.166 0.000 2.556 330 Y HA 0.149 4.699 4.550 0.000 0.000 0.352 330 Y C 1.245 176.924 175.900 -0.369 0.000 1.006 330 Y CA -0.465 57.313 58.100 -0.537 0.000 1.277 330 Y CB 0.574 38.224 38.460 -1.350 0.000 1.136 330 Y HN 0.033 nan 8.280 nan 0.000 0.523 331 E N 3.854 124.066 120.200 0.020 0.000 2.338 331 E HA -0.162 4.188 4.350 0.000 0.000 0.197 331 E C 1.377 178.061 176.600 0.139 0.000 1.007 331 E CA 0.713 57.166 56.400 0.088 0.000 0.849 331 E CB 0.025 29.798 29.700 0.123 0.000 0.774 331 E HN 0.848 nan 8.360 nan 0.000 0.506 332 W N -0.565 120.834 121.300 0.165 0.000 3.077 332 W HA 0.033 4.693 4.660 0.000 0.000 0.245 332 W C 1.130 177.727 176.519 0.130 0.000 1.316 332 W CA -0.339 57.068 57.345 0.102 0.000 1.537 332 W CB -0.739 28.737 29.460 0.027 0.000 1.131 332 W HN -0.077 nan 8.180 nan 0.000 0.695 333 F N 3.493 123.313 119.950 -0.215 0.000 2.113 333 F HA -0.240 4.287 4.527 0.000 0.000 0.297 333 F C 2.922 178.753 175.800 0.051 0.000 1.103 333 F CA 2.759 60.667 58.000 -0.154 0.000 1.248 333 F CB -0.328 38.516 39.000 -0.260 0.000 0.999 333 F HN -0.154 nan 8.300 nan 0.000 0.475 334 Q N 0.205 120.128 119.800 0.206 0.000 2.181 334 Q HA -0.256 4.084 4.340 0.000 0.000 0.205 334 Q C 1.658 177.716 176.000 0.097 0.000 0.980 334 Q CA 1.809 57.702 55.803 0.150 0.000 0.862 334 Q CB -1.175 27.645 28.738 0.136 0.000 0.905 334 Q HN 0.542 nan 8.270 nan 0.000 0.429 335 E N 0.802 121.072 120.200 0.116 0.000 2.396 335 E HA -0.076 4.274 4.350 0.000 0.000 0.200 335 E C 1.924 178.557 176.600 0.056 0.000 1.023 335 E CA 0.454 56.915 56.400 0.102 0.000 0.857 335 E CB -0.132 29.657 29.700 0.147 0.000 0.775 335 E HN 0.376 nan 8.360 nan 0.000 0.525 336 L N -0.543 120.677 121.223 -0.005 0.000 2.395 336 L HA 0.030 4.370 4.340 0.000 0.000 0.218 336 L C 1.454 178.320 176.870 -0.008 0.000 1.130 336 L CA 0.440 55.237 54.840 -0.071 0.000 0.826 336 L CB -0.220 41.660 42.059 -0.297 0.000 0.941 336 L HN 0.244 nan 8.230 nan 0.000 0.451 337 G N 1.028 109.853 108.800 0.042 0.000 2.249 337 G HA2 -0.280 3.680 3.960 0.000 0.000 0.273 337 G HA3 -0.280 3.680 3.960 0.000 0.000 0.273 337 G C 0.094 175.136 174.900 0.237 0.000 1.036 337 G CA 0.057 45.230 45.100 0.121 0.000 0.824 337 G HN 0.234 nan 8.290 nan 0.000 0.504 338 L N -0.861 120.457 121.223 0.158 0.000 2.416 338 L HA 0.826 5.166 4.340 0.000 0.000 0.262 338 L C 0.688 177.615 176.870 0.093 0.000 1.093 338 L CA -0.325 54.644 54.840 0.215 0.000 0.801 338 L CB 1.565 43.568 42.059 -0.093 0.000 1.191 338 L HN 0.566 nan 8.230 nan 0.000 0.459 339 K N -0.135 120.193 120.400 -0.119 0.000 2.711 339 K HA 0.422 4.742 4.320 0.000 0.000 0.294 339 K C -2.135 174.437 176.600 -0.045 0.000 1.037 339 K CA -1.082 55.121 56.287 -0.140 0.000 0.858 339 K CB 1.590 33.919 32.500 -0.285 0.000 1.521 339 K HN 0.568 nan 8.250 nan 0.000 0.386 340 W N 1.814 123.034 121.300 -0.132 0.000 3.137 340 W HA 0.357 5.017 4.660 0.000 0.000 0.324 340 W C -1.258 175.211 176.519 -0.085 0.000 1.253 340 W CA -0.782 56.494 57.345 -0.114 0.000 1.183 340 W CB 1.640 30.896 29.460 -0.341 0.000 1.424 340 W HN 0.687 nan 8.180 nan 0.000 0.566 341 Y N 0.925 120.961 120.300 -0.440 0.000 2.326 341 Y HA 0.525 5.075 4.550 0.000 0.000 0.333 341 Y C 0.776 176.755 175.900 0.133 0.000 1.240 341 Y CA -0.040 57.947 58.100 -0.188 0.000 1.365 341 Y CB 0.146 38.403 38.460 -0.338 0.000 1.289 341 Y HN 0.340 nan 8.280 nan 0.000 0.548 342 A N 2.289 125.272 122.820 0.272 0.000 2.123 342 A HA 0.134 4.454 4.320 0.000 0.000 0.214 342 A C 0.386 178.307 177.584 0.561 0.000 1.152 342 A CA 0.097 52.370 52.037 0.393 0.000 0.728 342 A CB -0.243 18.852 19.000 0.159 0.000 0.814 342 A HN 0.656 nan 8.150 nan 0.000 0.464 343 L N 2.126 123.648 121.223 0.499 0.000 2.264 343 L HA 0.391 4.731 4.340 0.000 0.000 0.287 343 L C -2.502 174.589 176.870 0.369 0.000 1.039 343 L CA -2.103 52.969 54.840 0.386 0.000 0.829 343 L CB 1.489 43.691 42.059 0.237 0.000 1.211 343 L HN -0.027 nan 8.230 nan 0.000 0.427 344 P HA 0.354 nan 4.420 nan 0.000 0.291 344 P C -1.440 175.799 177.300 -0.100 0.000 1.378 344 P CA -0.318 62.666 63.100 -0.192 0.000 0.853 344 P CB 1.285 32.511 31.700 -0.789 0.000 1.002 345 A N 4.355 127.131 122.820 -0.073 0.000 2.411 345 A HA 0.426 4.746 4.320 0.000 0.000 0.285 345 A C -0.326 177.086 177.584 -0.287 0.000 1.129 345 A CA -0.646 51.292 52.037 -0.164 0.000 0.736 345 A CB 1.082 20.003 19.000 -0.133 0.000 1.186 345 A HN 0.265 nan 8.150 nan 0.000 0.445 346 V N 2.228 121.854 119.914 -0.480 0.000 2.479 346 V HA 0.319 4.439 4.120 0.000 0.000 0.281 346 V C 1.298 176.971 176.094 -0.701 0.000 1.031 346 V CA 1.014 62.953 62.300 -0.602 0.000 1.038 346 V CB 0.844 32.217 31.823 -0.750 0.000 0.981 346 V HN 1.101 nan 8.190 nan 0.000 0.478 347 A N 4.334 126.918 122.820 -0.393 0.000 2.343 347 A HA 0.164 4.484 4.320 0.000 0.000 0.223 347 A C 1.108 178.602 177.584 -0.150 0.000 1.214 347 A CA 0.287 52.164 52.037 -0.267 0.000 0.900 347 A CB -0.121 18.780 19.000 -0.165 0.000 0.942 347 A HN 0.866 nan 8.150 nan 0.000 0.507 348 N N -0.492 118.125 118.700 -0.138 0.000 2.467 348 N HA 0.318 5.058 4.740 0.000 0.000 0.278 348 N C -0.581 174.936 175.510 0.011 0.000 1.306 348 N CA -0.096 52.940 53.050 -0.023 0.000 0.905 348 N CB -0.196 38.301 38.487 0.017 0.000 1.236 348 N HN 0.275 nan 8.380 nan 0.000 0.509 349 M N 0.551 120.139 119.600 -0.020 0.000 2.436 349 M HA 0.366 4.846 4.480 0.000 0.000 0.331 349 M C -0.679 175.753 176.300 0.221 0.000 1.135 349 M CA -0.953 54.401 55.300 0.090 0.000 0.987 349 M CB 2.777 35.414 32.600 0.061 0.000 1.687 349 M HN 0.125 nan 8.290 nan 0.000 0.445 350 L N 3.809 125.191 121.223 0.265 0.000 2.305 350 L HA 0.438 4.778 4.340 0.000 0.000 0.281 350 L C -1.137 175.958 176.870 0.374 0.000 1.085 350 L CA -0.803 54.216 54.840 0.299 0.000 0.813 350 L CB 0.808 43.009 42.059 0.237 0.000 1.157 350 L HN 0.613 nan 8.230 nan 0.000 0.436 351 L N 5.618 127.064 121.223 0.371 0.000 2.255 351 L HA 0.400 4.741 4.340 0.000 0.000 0.289 351 L C -0.344 176.687 176.870 0.267 0.000 1.046 351 L CA 0.211 55.212 54.840 0.268 0.000 0.816 351 L CB 0.982 43.180 42.059 0.232 0.000 1.197 351 L HN 0.624 nan 8.230 nan 0.000 0.427 352 E N 4.868 125.187 120.200 0.200 0.000 2.156 352 E HA 0.452 4.802 4.350 0.000 0.000 0.279 352 E C -1.822 174.798 176.600 0.033 0.000 0.965 352 E CA -0.345 56.136 56.400 0.135 0.000 0.789 352 E CB 1.821 31.633 29.700 0.186 0.000 1.098 352 E HN 0.516 nan 8.360 nan 0.000 0.397 353 V N 3.319 123.204 119.914 -0.048 0.000 2.711 353 V HA 0.485 4.606 4.120 0.000 0.000 0.304 353 V C 0.287 176.223 176.094 -0.264 0.000 1.097 353 V CA 0.405 62.546 62.300 -0.264 0.000 0.906 353 V CB 1.397 32.995 31.823 -0.373 0.000 1.015 353 V HN 0.876 nan 8.190 nan 0.000 0.427 354 G N 4.508 113.168 108.800 -0.234 0.000 2.441 354 G HA2 0.063 4.023 3.960 0.000 0.000 0.298 354 G HA3 0.063 4.023 3.960 0.000 0.000 0.298 354 G C 1.531 176.570 174.900 0.231 0.000 0.949 354 G CA 1.424 46.601 45.100 0.128 0.000 1.072 354 G HN 2.724 nan 8.290 nan 0.000 0.512 355 G N -1.877 106.998 108.800 0.125 0.000 2.267 355 G HA2 -0.286 3.674 3.960 0.000 0.000 0.257 355 G HA3 -0.286 3.674 3.960 0.000 0.000 0.257 355 G C 0.580 175.528 174.900 0.079 0.000 0.998 355 G CA 0.629 45.845 45.100 0.192 0.000 0.620 355 G HN 1.278 nan 8.290 nan 0.000 0.529 356 L N 0.859 122.077 121.223 -0.009 0.000 2.395 356 L HA 0.570 4.910 4.340 0.000 0.000 0.269 356 L C 0.352 177.059 176.870 -0.271 0.000 1.133 356 L CA -0.414 54.304 54.840 -0.202 0.000 0.812 356 L CB 0.989 42.822 42.059 -0.376 0.000 1.125 356 L HN 0.209 nan 8.230 nan 0.000 0.452 357 E N 2.580 122.560 120.200 -0.368 0.000 2.176 357 E HA 0.401 4.751 4.350 0.000 0.000 0.267 357 E C -1.510 174.852 176.600 -0.396 0.000 0.893 357 E CA -0.418 55.829 56.400 -0.255 0.000 0.761 357 E CB 1.932 31.561 29.700 -0.119 0.000 1.133 357 E HN 0.290 nan 8.360 nan 0.000 0.409 358 F N 3.177 123.159 119.950 0.052 0.000 2.359 358 F HA 0.284 4.811 4.527 0.000 0.000 0.369 358 F C -1.801 174.077 175.800 0.131 0.000 1.084 358 F CA -2.055 55.995 58.000 0.083 0.000 1.096 358 F CB 1.544 40.584 39.000 0.066 0.000 1.335 358 F HN 0.352 nan 8.300 nan 0.000 0.457 359 P HA -0.074 nan 4.420 nan 0.000 0.222 359 P C -0.173 177.282 177.300 0.257 0.000 1.147 359 P CA 0.762 63.999 63.100 0.230 0.000 0.790 359 P CB 0.452 32.273 31.700 0.201 0.000 0.780 360 A N -0.147 122.869 122.820 0.328 0.000 2.357 360 A HA 0.596 4.916 4.320 0.000 0.000 0.295 360 A C -0.583 177.226 177.584 0.375 0.000 1.121 360 A CA -0.460 51.778 52.037 0.334 0.000 0.742 360 A CB 0.488 19.700 19.000 0.354 0.000 1.181 360 A HN 0.254 nan 8.150 nan 0.000 0.454 361 C N 1.302 120.759 119.300 0.261 0.000 3.175 361 C HA 0.528 4.988 4.460 0.000 0.000 0.352 361 C C -3.174 171.859 174.990 0.072 0.000 0.938 361 C CA -1.298 57.821 59.018 0.168 0.000 1.236 361 C CB 0.030 27.862 27.740 0.153 0.000 1.623 361 C HN 0.594 nan 8.230 nan 0.000 0.597 362 P HA 0.570 nan 4.420 nan 0.000 0.275 362 P C -0.692 176.491 177.300 -0.195 0.000 1.228 362 P CA 0.491 63.427 63.100 -0.274 0.000 0.786 362 P CB 0.957 32.502 31.700 -0.258 0.000 0.927 363 F N -0.468 119.361 119.950 -0.202 0.000 2.643 363 F HA 0.681 5.208 4.527 0.000 0.000 0.314 363 F C -0.905 174.776 175.800 -0.198 0.000 1.096 363 F CA -1.175 56.721 58.000 -0.172 0.000 0.953 363 F CB 1.488 40.264 39.000 -0.374 0.000 1.345 363 F HN 0.383 nan 8.300 nan 0.000 0.468 364 N N -0.316 118.482 118.700 0.163 0.000 2.610 364 N HA 0.747 5.487 4.740 0.000 0.000 0.264 364 N C -1.221 174.211 175.510 -0.131 0.000 1.348 364 N CA -0.335 52.731 53.050 0.027 0.000 0.819 364 N CB 1.860 40.417 38.487 0.116 0.000 1.521 364 N HN 1.108 nan 8.380 nan 0.000 0.497 365 G N -1.015 107.679 108.800 -0.177 0.000 3.187 365 G HA2 0.660 4.620 3.960 0.000 0.000 0.175 365 G HA3 0.660 4.620 3.960 0.000 0.000 0.175 365 G C -1.857 172.997 174.900 -0.077 0.000 1.112 365 G CA -0.593 44.314 45.100 -0.321 0.000 0.821 365 G HN 0.702 nan 8.290 nan 0.000 0.636 366 W N -1.435 119.859 121.300 -0.009 0.000 2.902 366 W HA 0.829 5.489 4.660 0.000 0.000 0.346 366 W C -1.286 175.216 176.519 -0.028 0.000 1.139 366 W CA -2.334 55.029 57.345 0.031 0.000 1.139 366 W CB 0.269 29.779 29.460 0.084 0.000 1.439 366 W HN 0.458 nan 8.180 nan 0.000 0.558 367 Y N 2.111 122.590 120.300 0.298 0.000 2.426 367 Y HA 0.238 4.788 4.550 0.000 0.000 0.344 367 Y C 0.737 176.668 175.900 0.051 0.000 1.256 367 Y CA -0.038 58.097 58.100 0.058 0.000 1.451 367 Y CB 0.932 39.292 38.460 -0.167 0.000 1.342 367 Y HN 0.442 nan 8.280 nan 0.000 0.600 368 M N 2.206 121.907 119.600 0.168 0.000 2.085 368 M HA 0.333 4.813 4.480 0.000 0.000 0.309 368 M C 0.961 177.226 176.300 -0.058 0.000 0.947 368 M CA -0.189 55.147 55.300 0.061 0.000 0.918 368 M CB 1.101 33.720 32.600 0.032 0.000 1.504 368 M HN 0.850 nan 8.290 nan 0.000 0.420 369 G N 2.212 110.931 108.800 -0.134 0.000 2.869 369 G HA2 -0.433 3.527 3.960 0.000 0.000 0.240 369 G HA3 -0.433 3.527 3.960 0.000 0.000 0.240 369 G C 1.113 175.847 174.900 -0.276 0.000 1.143 369 G CA 2.339 47.299 45.100 -0.233 0.000 0.749 369 G HN 0.875 nan 8.290 nan 0.000 0.646 370 T N -1.450 112.931 114.554 -0.290 0.000 2.897 370 T HA -0.034 4.316 4.350 0.000 0.000 0.271 370 T C 1.934 176.458 174.700 -0.293 0.000 1.084 370 T CA 1.771 63.663 62.100 -0.346 0.000 1.123 370 T CB -0.129 68.462 68.868 -0.463 0.000 0.865 370 T HN 0.343 nan 8.240 nan 0.000 0.496 371 E N 1.066 121.121 120.200 -0.243 0.000 2.051 371 E HA -0.003 4.347 4.350 0.000 0.000 0.192 371 E C 2.165 178.518 176.600 -0.412 0.000 0.991 371 E CA 1.123 57.400 56.400 -0.207 0.000 0.799 371 E CB -0.218 29.488 29.700 0.011 0.000 0.748 371 E HN 0.621 nan 8.360 nan 0.000 0.449 372 I N -0.049 120.142 120.570 -0.632 0.000 2.270 372 I HA -0.078 4.092 4.170 0.000 0.000 0.239 372 I C 2.555 178.114 176.117 -0.931 0.000 1.080 372 I CA 0.960 61.558 61.300 -1.171 0.000 1.383 372 I CB -0.653 36.563 38.000 -1.307 0.000 1.097 372 I HN 0.086 nan 8.210 nan 0.000 0.420 373 G N 0.774 109.274 108.800 -0.499 0.000 2.491 373 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 373 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 373 G C 1.617 176.461 174.900 -0.094 0.000 1.180 373 G CA 1.423 46.426 45.100 -0.161 0.000 0.774 373 G HN 0.248 nan 8.290 nan 0.000 0.562 374 V N 0.173 119.976 119.914 -0.185 0.000 2.426 374 V HA 0.060 4.180 4.120 0.000 0.000 0.242 374 V C 2.843 178.864 176.094 -0.121 0.000 1.036 374 V CA 1.142 63.363 62.300 -0.132 0.000 1.044 374 V CB -0.306 31.408 31.823 -0.181 0.000 0.688 374 V HN 0.128 nan 8.190 nan 0.000 0.462 375 R N 0.763 121.151 120.500 -0.188 0.000 2.052 375 R HA -0.019 4.321 4.340 0.000 0.000 0.224 375 R C 2.035 178.259 176.300 -0.125 0.000 1.165 375 R CA 1.507 57.518 56.100 -0.148 0.000 0.939 375 R CB -1.214 28.986 30.300 -0.166 0.000 0.834 375 R HN 0.464 nan 8.270 nan 0.000 0.435 376 D N 0.680 120.896 120.400 -0.307 0.000 2.103 376 D HA -0.162 4.478 4.640 0.000 0.000 0.190 376 D C 1.962 178.238 176.300 -0.040 0.000 0.997 376 D CA 1.299 55.084 54.000 -0.359 0.000 0.833 376 D CB -0.322 39.678 40.800 -1.335 0.000 0.961 376 D HN 0.085 nan 8.370 nan 0.000 0.447 377 F N 0.420 120.266 119.950 -0.173 0.000 2.234 377 F HA -0.014 4.513 4.527 0.000 0.000 0.296 377 F C 2.533 178.388 175.800 0.092 0.000 1.089 377 F CA -0.150 57.855 58.000 0.008 0.000 1.343 377 F CB -0.772 38.210 39.000 -0.030 0.000 1.040 377 F HN 0.059 nan 8.300 nan 0.000 0.498 378 C N -1.160 118.272 119.300 0.219 0.000 2.674 378 C HA 0.134 4.594 4.460 0.000 0.000 0.276 378 C C 0.502 175.556 174.990 0.107 0.000 1.300 378 C CA -0.549 58.560 59.018 0.152 0.000 1.732 378 C CB -0.664 27.133 27.740 0.095 0.000 2.076 378 C HN 0.116 nan 8.230 nan 0.000 0.548 379 D N 1.642 122.092 120.400 0.084 0.000 2.443 379 D HA 0.056 4.696 4.640 0.000 0.000 0.239 379 D C 1.443 177.798 176.300 0.091 0.000 1.136 379 D CA 0.514 54.552 54.000 0.063 0.000 0.879 379 D CB 0.767 41.595 40.800 0.047 0.000 1.195 379 D HN 0.395 nan 8.370 nan 0.000 0.443 380 T N -0.737 113.859 114.554 0.070 0.000 2.962 380 T HA -0.214 4.136 4.350 0.000 0.000 0.270 380 T C 1.372 176.115 174.700 0.072 0.000 1.088 380 T CA 0.756 62.902 62.100 0.076 0.000 1.127 380 T CB -0.029 68.876 68.868 0.061 0.000 0.883 380 T HN 0.490 nan 8.240 nan 0.000 0.493 381 Q N 0.362 120.203 119.800 0.068 0.000 2.425 381 Q HA 0.157 4.497 4.340 0.000 0.000 0.204 381 Q C 1.198 177.242 176.000 0.074 0.000 0.933 381 Q CA 0.058 55.900 55.803 0.064 0.000 0.939 381 Q CB 0.184 28.957 28.738 0.059 0.000 1.044 381 Q HN 0.363 nan 8.270 nan 0.000 0.513 382 R N -0.076 120.488 120.500 0.106 0.000 2.261 382 R HA 0.232 4.572 4.340 0.000 0.000 0.116 382 R C 1.630 178.005 176.300 0.125 0.000 1.533 382 R CA -0.307 55.883 56.100 0.149 0.000 1.423 382 R CB -1.135 29.313 30.300 0.248 0.000 1.225 382 R HN 0.080 nan 8.270 nan 0.000 0.476 383 Y N 1.612 122.066 120.300 0.257 0.000 2.497 383 Y HA -0.083 4.467 4.550 0.000 0.000 0.292 383 Y C 0.538 176.560 175.900 0.202 0.000 1.137 383 Y CA 0.626 58.897 58.100 0.286 0.000 1.285 383 Y CB -0.445 38.303 38.460 0.480 0.000 0.991 383 Y HN 0.446 nan 8.280 nan 0.000 0.556 384 N N 1.155 120.026 118.700 0.284 0.000 2.724 384 N HA -0.233 4.507 4.740 0.000 0.000 0.293 384 N C 0.175 175.801 175.510 0.194 0.000 1.090 384 N CA 0.920 54.090 53.050 0.201 0.000 0.793 384 N CB -1.010 37.560 38.487 0.138 0.000 0.958 384 N HN 0.674 nan 8.380 nan 0.000 0.575 385 I N -1.757 118.936 120.570 0.206 0.000 4.081 385 I HA 0.198 4.368 4.170 0.000 0.000 0.333 385 I C 1.348 177.569 176.117 0.173 0.000 1.413 385 I CA -0.566 60.827 61.300 0.155 0.000 1.110 385 I CB 0.019 38.075 38.000 0.094 0.000 1.082 385 I HN 0.196 nan 8.210 nan 0.000 0.402 386 L N 1.945 123.294 121.223 0.209 0.000 2.079 386 L HA -0.171 4.169 4.340 0.000 0.000 0.210 386 L C 2.475 179.578 176.870 0.389 0.000 1.081 386 L CA 2.239 57.242 54.840 0.271 0.000 0.752 386 L CB -0.527 41.659 42.059 0.211 0.000 0.896 386 L HN 0.513 nan 8.230 nan 0.000 0.433 387 E N -0.966 119.428 120.200 0.323 0.000 2.072 387 E HA -0.237 4.113 4.350 0.000 0.000 0.190 387 E C 1.879 178.502 176.600 0.038 0.000 0.982 387 E CA 1.109 57.634 56.400 0.208 0.000 0.803 387 E CB 0.069 29.850 29.700 0.135 0.000 0.755 387 E HN 0.495 nan 8.360 nan 0.000 0.453 388 E N 0.054 120.287 120.200 0.056 0.000 2.110 388 E HA -0.136 4.214 4.350 0.000 0.000 0.193 388 E C 2.054 178.653 176.600 -0.001 0.000 0.988 388 E CA 1.078 57.474 56.400 -0.006 0.000 0.804 388 E CB -0.146 29.557 29.700 0.006 0.000 0.745 388 E HN 0.133 nan 8.360 nan 0.000 0.458 389 V N 0.236 120.223 119.914 0.121 0.000 2.548 389 V HA -0.112 4.008 4.120 0.000 0.000 0.249 389 V C 2.114 178.350 176.094 0.237 0.000 1.055 389 V CA 1.870 64.327 62.300 0.262 0.000 1.065 389 V CB -0.817 31.230 31.823 0.375 0.000 0.681 389 V HN 0.412 nan 8.190 nan 0.000 0.462 390 G N -0.755 108.162 108.800 0.194 0.000 2.396 390 G HA2 -0.181 3.779 3.960 0.000 0.000 0.214 390 G HA3 -0.181 3.779 3.960 0.000 0.000 0.214 390 G C 1.713 176.542 174.900 -0.119 0.000 1.166 390 G CA 0.469 45.655 45.100 0.143 0.000 0.793 390 G HN 0.342 nan 8.290 nan 0.000 0.533 391 R N 0.867 121.238 120.500 -0.214 0.000 2.096 391 R HA -0.108 4.232 4.340 0.000 0.000 0.240 391 R C 2.311 178.439 176.300 -0.286 0.000 1.139 391 R CA 1.653 57.594 56.100 -0.266 0.000 0.952 391 R CB -0.169 29.995 30.300 -0.226 0.000 0.854 391 R HN 0.439 nan 8.270 nan 0.000 0.436 392 R N -0.294 119.979 120.500 -0.378 0.000 2.555 392 R HA 0.101 4.441 4.340 0.000 0.000 0.272 392 R C 1.192 176.994 176.300 -0.829 0.000 1.089 392 R CA 0.281 56.002 56.100 -0.631 0.000 1.126 392 R CB 0.081 29.904 30.300 -0.795 0.000 1.250 392 R HN 0.211 nan 8.270 nan 0.000 0.551 393 M N -0.565 118.803 119.600 -0.388 0.000 2.337 393 M HA 0.269 4.749 4.480 0.000 0.000 0.256 393 M C 0.751 176.969 176.300 -0.136 0.000 1.075 393 M CA 0.999 56.206 55.300 -0.156 0.000 1.024 393 M CB 0.966 33.658 32.600 0.154 0.000 1.429 393 M HN 0.528 nan 8.290 nan 0.000 0.497 394 G N 0.972 109.668 108.800 -0.173 0.000 2.254 394 G HA2 -0.212 3.748 3.960 0.000 0.000 0.225 394 G HA3 -0.212 3.748 3.960 0.000 0.000 0.225 394 G C 0.083 174.930 174.900 -0.088 0.000 1.003 394 G CA -0.007 45.020 45.100 -0.123 0.000 0.622 394 G HN 0.381 nan 8.290 nan 0.000 0.507 395 L N 1.686 122.866 121.223 -0.071 0.000 2.499 395 L HA 0.287 4.627 4.340 0.000 0.000 0.281 395 L C 1.104 177.846 176.870 -0.215 0.000 1.234 395 L CA 0.426 55.226 54.840 -0.067 0.000 0.839 395 L CB 0.275 42.362 42.059 0.048 0.000 1.104 395 L HN 0.510 nan 8.230 nan 0.000 0.500 396 E N 0.029 120.079 120.200 -0.250 0.000 1.856 396 E HA 0.045 4.395 4.350 0.000 0.000 0.263 396 E C 0.755 176.792 176.600 -0.937 0.000 1.137 396 E CA -0.038 56.028 56.400 -0.556 0.000 1.007 396 E CB 0.028 29.437 29.700 -0.485 0.000 1.117 396 E HN 0.709 nan 8.360 nan 0.000 0.438 397 T N -0.391 113.555 114.554 -1.014 0.000 3.155 397 T HA -0.161 4.189 4.350 0.000 0.000 0.264 397 T C 1.131 175.409 174.700 -0.702 0.000 1.160 397 T CA 1.213 62.389 62.100 -1.539 0.000 1.075 397 T CB -0.580 67.451 68.868 -1.395 0.000 0.921 397 T HN 0.674 nan 8.240 nan 0.000 0.533 398 H N 0.831 119.744 119.070 -0.262 0.000 2.431 398 H HA 0.209 4.765 4.556 0.000 0.000 0.295 398 H C 0.930 176.286 175.328 0.047 0.000 1.038 398 H CA 0.834 56.836 56.048 -0.076 0.000 1.360 398 H CB -0.723 28.996 29.762 -0.072 0.000 1.433 398 H HN 0.429 nan 8.280 nan 0.000 0.536 399 T N -0.433 114.085 114.554 -0.060 0.000 2.801 399 T HA 0.255 4.606 4.350 0.000 0.000 0.306 399 T C 0.945 175.764 174.700 0.200 0.000 1.020 399 T CA -0.757 61.412 62.100 0.115 0.000 0.948 399 T CB 1.368 70.312 68.868 0.126 0.000 0.962 399 T HN 0.105 nan 8.240 nan 0.000 0.465 400 L N 3.419 124.774 121.223 0.220 0.000 2.013 400 L HA -0.018 4.322 4.340 0.000 0.000 0.212 400 L C 2.697 179.618 176.870 0.085 0.000 1.073 400 L CA 2.305 57.253 54.840 0.180 0.000 0.753 400 L CB -1.053 41.066 42.059 0.101 0.000 0.890 400 L HN 0.879 nan 8.230 nan 0.000 0.432 401 A N -1.396 121.470 122.820 0.076 0.000 2.186 401 A HA -0.199 4.121 4.320 0.000 0.000 0.219 401 A C 2.328 179.945 177.584 0.054 0.000 1.159 401 A CA 1.549 53.615 52.037 0.047 0.000 0.680 401 A CB -0.945 18.084 19.000 0.048 0.000 0.787 401 A HN 0.643 nan 8.150 nan 0.000 0.467 402 S N -0.579 115.182 115.700 0.102 0.000 2.555 402 S HA 0.115 4.585 4.470 0.000 0.000 0.230 402 S C 0.892 175.550 174.600 0.096 0.000 0.978 402 S CA 0.625 58.890 58.200 0.110 0.000 0.934 402 S CB -0.762 62.521 63.200 0.138 0.000 0.766 402 S HN 0.861 nan 8.310 nan 0.000 0.533 403 L N 0.044 121.281 121.223 0.023 0.000 4.040 403 L HA -0.190 4.150 4.340 0.000 0.000 0.410 403 L C 1.721 178.567 176.870 -0.041 0.000 1.187 403 L CA 0.921 55.725 54.840 -0.060 0.000 0.956 403 L CB -2.762 39.286 42.059 -0.018 0.000 2.022 403 L HN 0.767 nan 8.230 nan 0.000 0.897 404 W N 0.507 121.801 121.300 -0.010 0.000 2.363 404 W HA -0.156 4.504 4.660 0.000 0.000 0.296 404 W C 1.737 178.270 176.519 0.023 0.000 1.212 404 W CA 1.337 58.681 57.345 -0.001 0.000 1.260 404 W CB -0.776 28.663 29.460 -0.034 0.000 1.131 404 W HN 0.257 nan 8.180 nan 0.000 0.530 405 K N 0.777 120.648 120.400 -0.883 0.000 2.057 405 K HA -0.177 4.144 4.320 0.000 0.000 0.207 405 K C 1.514 177.963 176.600 -0.251 0.000 1.049 405 K CA 2.177 57.998 56.287 -0.776 0.000 0.931 405 K CB -0.365 31.549 32.500 -0.978 0.000 0.714 405 K HN -0.022 nan 8.250 nan 0.000 0.440 406 D N 0.228 120.511 120.400 -0.195 0.000 2.144 406 D HA -0.099 4.541 4.640 0.000 0.000 0.199 406 D C 1.966 178.270 176.300 0.006 0.000 0.984 406 D CA 1.020 54.973 54.000 -0.078 0.000 0.834 406 D CB 0.045 40.805 40.800 -0.066 0.000 0.955 406 D HN 0.118 nan 8.370 nan 0.000 0.465 407 R N 0.311 120.844 120.500 0.055 0.000 2.093 407 R HA 0.120 4.460 4.340 0.000 0.000 0.224 407 R C 2.153 178.551 176.300 0.162 0.000 1.101 407 R CA 0.941 57.110 56.100 0.115 0.000 0.979 407 R CB -0.248 30.143 30.300 0.151 0.000 0.877 407 R HN 0.120 nan 8.270 nan 0.000 0.441 408 A N 0.997 123.939 122.820 0.204 0.000 1.835 408 A HA -0.141 4.179 4.320 0.000 0.000 0.215 408 A C 2.267 179.973 177.584 0.204 0.000 1.199 408 A CA 1.545 53.743 52.037 0.268 0.000 0.615 408 A CB -1.066 18.150 19.000 0.360 0.000 0.838 408 A HN 0.163 nan 8.150 nan 0.000 0.444 409 V N 0.197 120.187 119.914 0.127 0.000 2.370 409 V HA -0.278 3.842 4.120 0.000 0.000 0.252 409 V C 2.528 178.666 176.094 0.074 0.000 1.068 409 V CA 3.165 65.519 62.300 0.089 0.000 1.061 409 V CB -1.024 30.809 31.823 0.016 0.000 0.656 409 V HN 0.680 nan 8.190 nan 0.000 0.455 410 T N -0.427 114.168 114.554 0.069 0.000 2.746 410 T HA -0.187 4.163 4.350 0.000 0.000 0.267 410 T C 1.780 176.516 174.700 0.059 0.000 1.039 410 T CA 1.786 63.922 62.100 0.059 0.000 1.142 410 T CB -0.283 68.624 68.868 0.064 0.000 0.866 410 T HN 0.495 nan 8.240 nan 0.000 0.444 411 E N 0.699 120.959 120.200 0.101 0.000 2.106 411 E HA 0.033 4.383 4.350 0.000 0.000 0.192 411 E C 2.054 178.680 176.600 0.044 0.000 0.984 411 E CA 0.562 57.018 56.400 0.093 0.000 0.806 411 E CB -0.430 29.349 29.700 0.131 0.000 0.750 411 E HN 0.508 nan 8.360 nan 0.000 0.458 412 I N 0.394 121.043 120.570 0.132 0.000 2.226 412 I HA -0.304 3.866 4.170 0.000 0.000 0.245 412 I C 1.957 178.106 176.117 0.054 0.000 1.100 412 I CA 1.122 62.524 61.300 0.170 0.000 1.374 412 I CB -0.287 37.886 38.000 0.289 0.000 1.057 412 I HN 0.159 nan 8.210 nan 0.000 0.413 413 N N 0.119 118.833 118.700 0.023 0.000 2.084 413 N HA -0.154 4.586 4.740 0.000 0.000 0.190 413 N C 1.831 177.300 175.510 -0.068 0.000 1.030 413 N CA 1.253 54.284 53.050 -0.032 0.000 0.849 413 N CB 0.086 38.552 38.487 -0.035 0.000 1.012 413 N HN 0.037 nan 8.380 nan 0.000 0.423 414 V N 0.971 120.825 119.914 -0.100 0.000 2.392 414 V HA -0.234 3.886 4.120 0.000 0.000 0.249 414 V C 2.245 178.170 176.094 -0.280 0.000 1.059 414 V CA 1.878 64.063 62.300 -0.192 0.000 1.051 414 V CB -1.010 30.653 31.823 -0.266 0.000 0.658 414 V HN 0.376 nan 8.190 nan 0.000 0.455 415 A N -0.100 122.508 122.820 -0.353 0.000 1.877 415 A HA -0.151 4.169 4.320 0.000 0.000 0.216 415 A C 2.429 179.957 177.584 -0.095 0.000 1.186 415 A CA 2.106 53.902 52.037 -0.401 0.000 0.620 415 A CB -0.723 17.759 19.000 -0.864 0.000 0.822 415 A HN 0.316 nan 8.150 nan 0.000 0.443 416 V N 0.124 120.030 119.914 -0.014 0.000 2.233 416 V HA -0.285 3.835 4.120 0.000 0.000 0.247 416 V C 2.608 178.730 176.094 0.046 0.000 1.050 416 V CA 2.111 64.450 62.300 0.065 0.000 1.010 416 V CB -0.813 30.974 31.823 -0.060 0.000 0.637 416 V HN 0.581 nan 8.190 nan 0.000 0.444 417 L N -0.631 120.569 121.223 -0.038 0.000 1.990 417 L HA -0.281 4.059 4.340 0.000 0.000 0.213 417 L C 2.612 179.509 176.870 0.045 0.000 1.072 417 L CA 2.348 57.174 54.840 -0.023 0.000 0.755 417 L CB -0.948 41.091 42.059 -0.032 0.000 0.889 417 L HN 0.535 nan 8.230 nan 0.000 0.432 418 H N -0.178 118.837 119.070 -0.092 0.000 2.265 418 H HA -0.193 4.363 4.556 0.000 0.000 0.295 418 H C 2.346 177.653 175.328 -0.035 0.000 1.084 418 H CA 2.056 58.040 56.048 -0.107 0.000 1.261 418 H CB 0.231 29.856 29.762 -0.227 0.000 1.360 418 H HN 0.290 nan 8.280 nan 0.000 0.487 419 S N 0.418 115.999 115.700 -0.198 0.000 2.359 419 S HA -0.176 4.294 4.470 0.000 0.000 0.223 419 S C 1.996 176.534 174.600 -0.104 0.000 1.039 419 S CA 1.579 59.660 58.200 -0.199 0.000 1.042 419 S CB -0.703 62.488 63.200 -0.016 0.000 0.915 419 S HN 0.323 nan 8.310 nan 0.000 0.439 420 F N 1.948 121.817 119.950 -0.135 0.000 2.202 420 F HA -0.120 4.407 4.527 0.000 0.000 0.301 420 F C 2.655 178.387 175.800 -0.112 0.000 1.082 420 F CA 1.126 59.066 58.000 -0.100 0.000 1.313 420 F CB -0.419 38.536 39.000 -0.075 0.000 1.024 420 F HN 0.256 nan 8.300 nan 0.000 0.495 421 Q N -0.418 119.409 119.800 0.045 0.000 2.096 421 Q HA -0.181 4.159 4.340 0.000 0.000 0.197 421 Q C 2.224 178.173 176.000 -0.085 0.000 0.964 421 Q CA 1.222 57.013 55.803 -0.020 0.000 0.838 421 Q CB -0.170 28.560 28.738 -0.014 0.000 0.906 421 Q HN 0.339 nan 8.270 nan 0.000 0.444 422 K N 1.095 121.386 120.400 -0.182 0.000 2.025 422 K HA -0.151 4.169 4.320 0.000 0.000 0.207 422 K C 1.336 177.851 176.600 -0.142 0.000 1.049 422 K CA 1.251 57.417 56.287 -0.201 0.000 0.933 422 K CB 0.179 32.456 32.500 -0.371 0.000 0.714 422 K HN 0.139 nan 8.250 nan 0.000 0.438 423 Q N 0.886 120.592 119.800 -0.156 0.000 2.253 423 Q HA 0.082 4.422 4.340 0.000 0.000 0.210 423 Q C -0.639 175.291 176.000 -0.117 0.000 0.907 423 Q CA -0.226 55.495 55.803 -0.137 0.000 0.948 423 Q CB 0.145 28.780 28.738 -0.172 0.000 1.033 423 Q HN 0.281 nan 8.270 nan 0.000 0.471 424 N N 0.437 119.082 118.700 -0.091 0.000 2.714 424 N HA -0.149 4.591 4.740 0.000 0.000 0.253 424 N C -1.444 174.028 175.510 -0.063 0.000 1.024 424 N CA 0.557 53.566 53.050 -0.068 0.000 0.726 424 N CB -0.872 37.578 38.487 -0.061 0.000 0.908 424 N HN 0.057 nan 8.380 nan 0.000 0.542 425 V N 0.718 120.603 119.914 -0.048 0.000 2.540 425 V HA 0.289 4.409 4.120 0.000 0.000 0.302 425 V C 0.802 176.968 176.094 0.120 0.000 1.035 425 V CA -0.717 61.583 62.300 -0.000 0.000 0.873 425 V CB 2.166 33.905 31.823 -0.140 0.000 0.992 425 V HN 0.179 nan 8.190 nan 0.000 0.428 426 T N 5.867 120.456 114.554 0.060 0.000 2.946 426 T HA 0.479 4.830 4.350 0.000 0.000 0.311 426 T C -0.239 174.498 174.700 0.062 0.000 1.063 426 T CA 0.750 62.810 62.100 -0.068 0.000 1.139 426 T CB 0.183 68.891 68.868 -0.266 0.000 0.994 426 T HN 0.600 nan 8.240 nan 0.000 0.547 427 I N 1.933 122.437 120.570 -0.110 0.000 2.721 427 I HA 0.359 4.529 4.170 0.000 0.000 0.292 427 I C -1.802 174.257 176.117 -0.097 0.000 1.674 427 I CA -0.701 60.553 61.300 -0.078 0.000 0.993 427 I CB 1.644 39.504 38.000 -0.233 0.000 1.448 427 I HN 0.603 nan 8.210 nan 0.000 0.500 428 M N 6.729 126.336 119.600 0.012 0.000 2.326 428 M HA 0.369 4.850 4.480 0.000 0.000 0.306 428 M C -1.187 175.152 176.300 0.064 0.000 1.054 428 M CA -0.690 54.642 55.300 0.053 0.000 0.922 428 M CB 1.586 34.292 32.600 0.178 0.000 1.632 428 M HN 0.599 nan 8.290 nan 0.000 0.436 429 D N 3.489 123.926 120.400 0.063 0.000 2.360 429 D HA -0.028 4.612 4.640 0.000 0.000 0.242 429 D C 0.695 177.079 176.300 0.140 0.000 1.184 429 D CA -0.058 54.017 54.000 0.124 0.000 0.930 429 D CB 0.541 41.416 40.800 0.125 0.000 1.161 429 D HN 0.799 nan 8.370 nan 0.000 0.447 430 H N 0.302 119.322 119.070 -0.083 0.000 2.457 430 H HA -0.124 4.432 4.556 0.000 0.000 0.294 430 H C 1.371 176.594 175.328 -0.175 0.000 1.064 430 H CA 1.212 57.164 56.048 -0.159 0.000 1.330 430 H CB -0.731 28.878 29.762 -0.256 0.000 1.395 430 H HN 0.532 nan 8.280 nan 0.000 0.541 431 H N 0.798 119.656 119.070 -0.352 0.000 2.307 431 H HA -0.026 4.530 4.556 0.000 0.000 0.303 431 H C 1.904 177.187 175.328 -0.076 0.000 1.073 431 H CA 1.882 57.787 56.048 -0.239 0.000 1.338 431 H CB -0.291 29.308 29.762 -0.273 0.000 1.389 431 H HN 0.366 nan 8.280 nan 0.000 0.503 432 T N 1.274 115.878 114.554 0.083 0.000 2.759 432 T HA -0.114 4.236 4.350 0.000 0.000 0.269 432 T C 2.288 177.041 174.700 0.089 0.000 1.042 432 T CA 1.113 63.257 62.100 0.073 0.000 1.140 432 T CB -0.358 68.547 68.868 0.062 0.000 0.864 432 T HN 0.434 nan 8.240 nan 0.000 0.455 433 A N 1.217 124.090 122.820 0.088 0.000 1.877 433 A HA -0.087 4.233 4.320 0.000 0.000 0.216 433 A C 2.631 180.285 177.584 0.116 0.000 1.186 433 A CA 1.946 54.049 52.037 0.111 0.000 0.620 433 A CB -0.878 18.179 19.000 0.095 0.000 0.822 433 A HN 0.440 nan 8.150 nan 0.000 0.443 434 S N -0.247 115.498 115.700 0.076 0.000 2.356 434 S HA -0.165 4.305 4.470 0.000 0.000 0.223 434 S C 1.853 176.543 174.600 0.149 0.000 1.032 434 S CA 1.518 59.778 58.200 0.100 0.000 1.005 434 S CB -0.360 62.866 63.200 0.043 0.000 0.867 434 S HN 0.690 nan 8.310 nan 0.000 0.449 435 E N 0.807 121.074 120.200 0.111 0.000 2.153 435 E HA -0.122 4.228 4.350 0.000 0.000 0.194 435 E C 2.224 178.886 176.600 0.103 0.000 0.988 435 E CA 1.062 57.520 56.400 0.097 0.000 0.811 435 E CB -0.203 29.539 29.700 0.070 0.000 0.746 435 E HN 0.386 nan 8.360 nan 0.000 0.466 436 S N 0.270 116.044 115.700 0.123 0.000 2.356 436 S HA -0.183 4.287 4.470 0.000 0.000 0.223 436 S C 1.732 176.420 174.600 0.148 0.000 1.032 436 S CA 0.979 59.256 58.200 0.127 0.000 1.005 436 S CB -0.268 63.020 63.200 0.147 0.000 0.867 436 S HN 0.325 nan 8.310 nan 0.000 0.449 437 F N 1.994 121.977 119.950 0.055 0.000 2.102 437 F HA -0.035 4.492 4.527 0.000 0.000 0.298 437 F C 2.187 178.042 175.800 0.093 0.000 1.105 437 F CA 1.604 59.644 58.000 0.067 0.000 1.239 437 F CB -0.373 38.646 39.000 0.032 0.000 0.991 437 F HN 0.174 nan 8.300 nan 0.000 0.474 438 M N 0.328 119.983 119.600 0.092 0.000 2.082 438 M HA -0.244 4.236 4.480 0.000 0.000 0.258 438 M C 2.216 178.447 176.300 -0.116 0.000 1.069 438 M CA 1.777 57.067 55.300 -0.017 0.000 1.102 438 M CB -1.367 31.273 32.600 0.066 0.000 1.336 438 M HN 0.106 nan 8.290 nan 0.000 0.404 439 K N -0.288 120.081 120.400 -0.050 0.000 2.057 439 K HA -0.213 4.107 4.320 0.000 0.000 0.207 439 K C 1.976 178.520 176.600 -0.092 0.000 1.049 439 K CA 1.937 58.195 56.287 -0.049 0.000 0.931 439 K CB -0.679 31.822 32.500 0.003 0.000 0.714 439 K HN 0.451 nan 8.250 nan 0.000 0.440 440 H N -0.423 118.516 119.070 -0.218 0.000 2.352 440 H HA -0.053 4.503 4.556 0.000 0.000 0.299 440 H C 2.016 177.144 175.328 -0.334 0.000 1.097 440 H CA 2.409 58.301 56.048 -0.260 0.000 1.311 440 H CB -0.103 29.459 29.762 -0.333 0.000 1.377 440 H HN 0.223 nan 8.280 nan 0.000 0.504 441 M N 0.068 119.330 119.600 -0.564 0.000 2.067 441 M HA -0.244 4.236 4.480 0.000 0.000 0.260 441 M C 2.232 178.361 176.300 -0.286 0.000 1.069 441 M CA 2.111 57.114 55.300 -0.495 0.000 1.117 441 M CB -0.099 32.211 32.600 -0.482 0.000 1.334 441 M HN 0.497 nan 8.290 nan 0.000 0.407 442 Q N -0.034 119.624 119.800 -0.238 0.000 2.096 442 Q HA -0.208 4.132 4.340 0.000 0.000 0.204 442 Q C 1.638 177.586 176.000 -0.087 0.000 0.982 442 Q CA 1.729 57.448 55.803 -0.139 0.000 0.850 442 Q CB -0.350 28.323 28.738 -0.108 0.000 0.901 442 Q HN 0.550 nan 8.270 nan 0.000 0.422 443 N N 0.415 119.030 118.700 -0.141 0.000 2.120 443 N HA -0.150 4.590 4.740 0.000 0.000 0.188 443 N C 1.550 176.978 175.510 -0.137 0.000 1.024 443 N CA 1.032 54.012 53.050 -0.118 0.000 0.852 443 N CB -0.137 38.279 38.487 -0.118 0.000 1.003 443 N HN 0.258 nan 8.380 nan 0.000 0.424 444 E N -0.032 120.024 120.200 -0.240 0.000 2.106 444 E HA -0.095 4.255 4.350 0.000 0.000 0.192 444 E C 1.479 178.045 176.600 -0.057 0.000 0.984 444 E CA 0.700 56.970 56.400 -0.216 0.000 0.806 444 E CB -0.316 29.177 29.700 -0.344 0.000 0.750 444 E HN 0.470 nan 8.360 nan 0.000 0.458 445 Y N 0.763 120.972 120.300 -0.152 0.000 2.571 445 Y HA -0.009 4.541 4.550 0.000 0.000 0.294 445 Y C 2.286 178.158 175.900 -0.047 0.000 1.141 445 Y CA 0.606 58.661 58.100 -0.075 0.000 1.308 445 Y CB 0.049 38.468 38.460 -0.069 0.000 1.002 445 Y HN -0.035 nan 8.280 nan 0.000 0.551 446 R N -1.180 119.353 120.500 0.056 0.000 2.074 446 R HA 0.115 4.455 4.340 0.000 0.000 0.218 446 R C 2.378 178.676 176.300 -0.002 0.000 1.137 446 R CA 0.851 56.966 56.100 0.026 0.000 0.998 446 R CB -0.385 29.923 30.300 0.013 0.000 0.895 446 R HN 0.216 nan 8.270 nan 0.000 0.442 447 A N 1.319 124.125 122.820 -0.025 0.000 1.823 447 A HA -0.080 4.240 4.320 0.000 0.000 0.214 447 A C 2.027 179.585 177.584 -0.042 0.000 1.225 447 A CA 1.032 53.052 52.037 -0.027 0.000 0.604 447 A CB -0.347 18.633 19.000 -0.033 0.000 0.878 447 A HN 0.125 nan 8.150 nan 0.000 0.450 448 R N -1.408 119.040 120.500 -0.085 0.000 2.240 448 R HA 0.146 4.486 4.340 0.000 0.000 0.203 448 R C 0.936 177.168 176.300 -0.114 0.000 1.011 448 R CA 0.621 56.665 56.100 -0.093 0.000 1.007 448 R CB -0.066 30.158 30.300 -0.127 0.000 0.911 448 R HN 0.828 nan 8.270 nan 0.000 0.468 449 G N 0.637 109.344 108.800 -0.154 0.000 2.256 449 G HA2 -0.183 3.778 3.960 0.000 0.000 0.272 449 G HA3 -0.183 3.778 3.960 0.000 0.000 0.272 449 G C 0.068 174.690 174.900 -0.464 0.000 1.076 449 G CA 0.145 45.120 45.100 -0.208 0.000 0.882 449 G HN 0.700 nan 8.290 nan 0.000 0.497 450 G N -2.397 105.938 108.800 -0.775 0.000 2.358 450 G HA2 0.577 4.537 3.960 0.000 0.000 0.301 450 G HA3 0.577 4.537 3.960 0.000 0.000 0.301 450 G C -0.786 173.882 174.900 -0.386 0.000 1.539 450 G CA 0.313 44.864 45.100 -0.915 0.000 0.893 450 G HN 2.024 nan 8.290 nan 0.000 0.636 451 C N 2.564 121.853 119.300 -0.020 0.000 2.928 451 C HA 0.668 5.128 4.460 0.000 0.000 0.396 451 C C -2.588 172.403 174.990 0.003 0.000 1.052 451 C CA -1.121 57.952 59.018 0.092 0.000 1.251 451 C CB 1.278 29.144 27.740 0.211 0.000 1.684 451 C HN 0.727 nan 8.230 nan 0.000 0.501 452 P HA 0.375 nan 4.420 nan 0.000 0.267 452 P C -0.617 176.589 177.300 -0.156 0.000 1.209 452 P CA 0.635 63.366 63.100 -0.615 0.000 0.763 452 P CB 0.972 32.319 31.700 -0.589 0.000 0.816 453 A N 2.878 125.648 122.820 -0.084 0.000 2.408 453 A HA 0.353 4.673 4.320 0.000 0.000 0.295 453 A C -0.780 176.845 177.584 0.069 0.000 1.040 453 A CA -0.574 51.500 52.037 0.062 0.000 0.707 453 A CB 1.127 20.248 19.000 0.202 0.000 1.235 453 A HN 0.467 nan 8.150 nan 0.000 0.418 454 D N 2.551 122.985 120.400 0.058 0.000 2.456 454 D HA 0.086 4.726 4.640 0.000 0.000 0.219 454 D C 0.838 177.258 176.300 0.199 0.000 1.126 454 D CA -0.454 53.619 54.000 0.122 0.000 0.890 454 D CB 0.327 41.160 40.800 0.055 0.000 1.025 454 D HN 0.660 nan 8.370 nan 0.000 0.511 455 W N 4.595 125.915 121.300 0.034 0.000 2.304 455 W HA -0.255 4.405 4.660 0.000 0.000 0.315 455 W C 1.803 178.348 176.519 0.043 0.000 1.233 455 W CA 1.308 58.659 57.345 0.010 0.000 1.261 455 W CB -0.110 29.336 29.460 -0.023 0.000 1.150 455 W HN 0.460 nan 8.180 nan 0.000 0.494 456 I N -0.927 119.944 120.570 0.501 0.000 2.315 456 I HA -0.326 3.845 4.170 0.000 0.000 0.251 456 I C 1.758 177.965 176.117 0.150 0.000 1.125 456 I CA 1.579 63.104 61.300 0.374 0.000 1.392 456 I CB -0.651 37.600 38.000 0.418 0.000 1.065 456 I HN 0.142 nan 8.210 nan 0.000 0.424 457 W N -0.025 121.240 121.300 -0.059 0.000 2.630 457 W HA 0.149 4.809 4.660 0.000 0.000 0.271 457 W C 2.157 178.547 176.519 -0.215 0.000 1.244 457 W CA 0.129 57.409 57.345 -0.108 0.000 1.353 457 W CB -0.378 29.047 29.460 -0.059 0.000 1.080 457 W HN -0.078 nan 8.180 nan 0.000 0.594 458 L N 0.121 121.287 121.223 -0.096 0.000 2.465 458 L HA 0.016 4.356 4.340 0.000 0.000 0.224 458 L C 0.347 176.981 176.870 -0.394 0.000 1.145 458 L CA 0.336 54.986 54.840 -0.316 0.000 0.834 458 L CB -0.711 41.073 42.059 -0.460 0.000 0.944 458 L HN -0.362 nan 8.230 nan 0.000 0.451 459 V N 0.988 120.611 119.914 -0.485 0.000 2.383 459 V HA 0.241 4.361 4.120 0.000 0.000 0.275 459 V C -1.902 174.000 176.094 -0.319 0.000 1.036 459 V CA -1.578 60.426 62.300 -0.493 0.000 0.889 459 V CB 1.111 32.416 31.823 -0.863 0.000 0.985 459 V HN 0.008 nan 8.190 nan 0.000 0.459 460 P HA 0.058 nan 4.420 nan 0.000 0.265 460 P C -1.772 175.412 177.300 -0.193 0.000 1.187 460 P CA -0.775 62.215 63.100 -0.183 0.000 0.766 460 P CB 0.134 31.786 31.700 -0.079 0.000 0.820 461 P HA -0.081 nan 4.420 nan 0.000 0.231 461 P C -0.014 177.190 177.300 -0.160 0.000 1.158 461 P CA 1.122 64.106 63.100 -0.193 0.000 0.763 461 P CB 0.092 31.666 31.700 -0.211 0.000 0.805 462 V N -6.627 113.185 119.914 -0.170 0.000 3.049 462 V HA 0.557 4.677 4.120 0.000 0.000 0.309 462 V C 0.286 176.355 176.094 -0.042 0.000 1.148 462 V CA -0.991 61.240 62.300 -0.114 0.000 0.990 462 V CB 1.402 33.145 31.823 -0.133 0.000 1.039 462 V HN -0.118 nan 8.190 nan 0.000 0.430 463 S N 1.160 116.851 115.700 -0.014 0.000 3.641 463 S HA -0.188 4.282 4.470 0.000 0.000 0.346 463 S C 1.535 176.103 174.600 -0.054 0.000 1.074 463 S CA 1.144 59.349 58.200 0.009 0.000 1.026 463 S CB -1.560 61.717 63.200 0.127 0.000 0.908 463 S HN 2.043 nan 8.310 nan 0.000 0.479 464 G N 2.692 111.426 108.800 -0.110 0.000 2.777 464 G HA2 -0.336 3.624 3.960 0.000 0.000 0.217 464 G HA3 -0.336 3.624 3.960 0.000 0.000 0.217 464 G C 1.506 176.225 174.900 -0.302 0.000 1.295 464 G CA 1.726 46.733 45.100 -0.154 0.000 0.800 464 G HN 1.363 nan 8.290 nan 0.000 0.637 465 S N 0.294 115.518 115.700 -0.793 0.000 2.493 465 S HA -0.034 4.436 4.470 0.000 0.000 0.243 465 S C 2.075 176.624 174.600 -0.084 0.000 0.991 465 S CA 1.082 58.738 58.200 -0.907 0.000 0.957 465 S CB -0.180 62.389 63.200 -1.051 0.000 0.756 465 S HN 0.233 nan 8.310 nan 0.000 0.521 466 I N 2.646 123.181 120.570 -0.058 0.000 2.928 466 I HA 0.031 4.201 4.170 0.000 0.000 0.266 466 I C 1.341 177.530 176.117 0.119 0.000 1.234 466 I CA 0.696 62.031 61.300 0.059 0.000 1.483 466 I CB -1.969 36.084 38.000 0.087 0.000 1.097 466 I HN 0.500 nan 8.210 nan 0.000 0.455 467 T N -0.742 113.869 114.554 0.094 0.000 2.875 467 T HA 0.305 4.655 4.350 0.000 0.000 0.284 467 T C -1.301 173.542 174.700 0.239 0.000 0.995 467 T CA -1.761 60.405 62.100 0.111 0.000 1.060 467 T CB 2.155 71.028 68.868 0.008 0.000 0.967 467 T HN -0.069 nan 8.240 nan 0.000 0.476 468 P HA -0.144 nan 4.420 nan 0.000 0.216 468 P C 1.911 179.406 177.300 0.326 0.000 1.150 468 P CA 1.395 64.663 63.100 0.280 0.000 0.837 468 P CB -0.364 31.437 31.700 0.168 0.000 0.786 469 V N -2.895 117.149 119.914 0.217 0.000 2.469 469 V HA -0.250 3.870 4.120 0.000 0.000 0.251 469 V C 2.393 178.596 176.094 0.181 0.000 1.064 469 V CA 1.705 64.100 62.300 0.160 0.000 1.066 469 V CB -2.379 29.442 31.823 -0.004 0.000 0.667 469 V HN -0.094 nan 8.190 nan 0.000 0.461 470 F N 1.865 121.826 119.950 0.018 0.000 2.192 470 F HA -0.185 4.342 4.527 0.000 0.000 0.301 470 F C 2.359 178.310 175.800 0.252 0.000 1.079 470 F CA 2.321 60.362 58.000 0.069 0.000 1.303 470 F CB -0.308 38.615 39.000 -0.130 0.000 1.024 470 F HN 0.327 nan 8.300 nan 0.000 0.494 471 H N -1.120 118.252 119.070 0.503 0.000 2.551 471 H HA 0.127 4.683 4.556 0.000 0.000 0.271 471 H C 0.225 175.752 175.328 0.332 0.000 0.984 471 H CA 0.108 56.399 56.048 0.406 0.000 1.164 471 H CB -0.041 29.959 29.762 0.397 0.000 1.437 471 H HN 0.265 nan 8.280 nan 0.000 0.550 472 Q N 1.946 121.972 119.800 0.377 0.000 2.290 472 Q HA 0.165 4.505 4.340 0.000 0.000 0.259 472 Q C -0.542 175.603 176.000 0.240 0.000 0.941 472 Q CA -0.470 55.479 55.803 0.244 0.000 0.912 472 Q CB 1.006 29.858 28.738 0.191 0.000 1.244 472 Q HN 0.214 nan 8.270 nan 0.000 0.441 473 E N 3.315 123.599 120.200 0.140 0.000 2.404 473 E HA 0.293 4.643 4.350 0.000 0.000 0.261 473 E C -0.561 176.101 176.600 0.104 0.000 1.074 473 E CA 0.270 56.728 56.400 0.098 0.000 0.917 473 E CB 0.808 30.544 29.700 0.060 0.000 0.965 473 E HN 0.604 nan 8.360 nan 0.000 0.433 474 M N 1.913 121.582 119.600 0.116 0.000 2.470 474 M HA 0.303 4.783 4.480 0.000 0.000 0.285 474 M C -1.648 174.735 176.300 0.138 0.000 1.213 474 M CA -0.977 54.416 55.300 0.155 0.000 0.901 474 M CB 1.662 34.401 32.600 0.230 0.000 1.718 474 M HN 0.131 nan 8.290 nan 0.000 0.469 475 L N 2.553 123.883 121.223 0.179 0.000 2.305 475 L HA 0.504 4.844 4.340 0.000 0.000 0.284 475 L C -0.481 176.478 176.870 0.149 0.000 1.013 475 L CA -0.361 54.612 54.840 0.222 0.000 0.819 475 L CB 1.049 43.314 42.059 0.343 0.000 1.227 475 L HN 0.602 nan 8.230 nan 0.000 0.417 476 N N 3.720 122.500 118.700 0.133 0.000 2.421 476 N HA 0.598 5.338 4.740 0.000 0.000 0.285 476 N C -1.512 174.083 175.510 0.142 0.000 1.027 476 N CA -0.146 52.911 53.050 0.012 0.000 0.918 476 N CB 0.770 39.292 38.487 0.058 0.000 1.152 476 N HN 0.392 nan 8.380 nan 0.000 0.485 477 Y N -0.347 119.987 120.300 0.057 0.000 2.521 477 Y HA 0.420 4.970 4.550 0.000 0.000 0.328 477 Y C -1.312 174.568 175.900 -0.034 0.000 1.151 477 Y CA -1.409 56.700 58.100 0.014 0.000 1.054 477 Y CB 0.350 38.826 38.460 0.027 0.000 1.338 477 Y HN 0.045 nan 8.280 nan 0.000 0.453 478 V N 5.112 125.030 119.914 0.008 0.000 2.405 478 V HA 0.222 4.342 4.120 0.000 0.000 0.264 478 V C 0.455 176.409 176.094 -0.232 0.000 1.048 478 V CA -0.097 61.969 62.300 -0.390 0.000 0.966 478 V CB -0.125 31.320 31.823 -0.631 0.000 1.015 478 V HN 0.775 nan 8.190 nan 0.000 0.477 479 L N 3.119 124.262 121.223 -0.132 0.000 2.884 479 L HA 0.725 5.065 4.340 0.000 0.000 0.199 479 L C 0.437 177.296 176.870 -0.020 0.000 1.828 479 L CA -0.402 54.447 54.840 0.016 0.000 2.124 479 L CB 0.953 43.093 42.059 0.134 0.000 2.736 479 L HN 0.626 nan 8.230 nan 0.000 0.592 480 S N -1.331 114.414 115.700 0.076 0.000 2.556 480 S HA 0.437 4.907 4.470 0.000 0.000 0.280 480 S C -2.731 171.937 174.600 0.113 0.000 1.141 480 S CA -0.836 57.419 58.200 0.092 0.000 0.883 480 S CB 1.800 65.022 63.200 0.036 0.000 1.103 480 S HN 0.116 nan 8.310 nan 0.000 0.453 481 P HA 0.469 nan 4.420 nan 0.000 0.271 481 P C -1.241 176.097 177.300 0.063 0.000 1.238 481 P CA -0.029 63.071 63.100 0.001 0.000 0.794 481 P CB 0.233 31.864 31.700 -0.115 0.000 0.959 482 F N -0.476 119.342 119.950 -0.220 0.000 2.678 482 F HA 0.392 4.920 4.527 0.000 0.000 0.308 482 F C -1.586 174.003 175.800 -0.351 0.000 1.118 482 F CA -0.706 57.102 58.000 -0.320 0.000 0.959 482 F CB 1.125 39.943 39.000 -0.303 0.000 1.305 482 F HN 0.146 nan 8.300 nan 0.000 0.443 483 Y N 4.418 124.347 120.300 -0.618 0.000 2.595 483 Y HA 0.399 4.949 4.550 0.000 0.000 0.336 483 Y C -0.949 174.725 175.900 -0.377 0.000 0.996 483 Y CA -0.740 57.149 58.100 -0.351 0.000 1.260 483 Y CB -0.016 38.203 38.460 -0.400 0.000 1.108 483 Y HN 0.313 nan 8.280 nan 0.000 0.509 484 Y N 1.120 121.520 120.300 0.168 0.000 2.335 484 Y HA 0.314 4.864 4.550 0.000 0.000 0.323 484 Y C 0.114 176.073 175.900 0.098 0.000 1.224 484 Y CA -1.110 57.109 58.100 0.198 0.000 1.241 484 Y CB 0.612 39.224 38.460 0.255 0.000 1.235 484 Y HN 0.437 nan 8.280 nan 0.000 0.492 485 Y N 0.789 121.248 120.300 0.265 0.000 2.258 485 Y HA 0.260 4.810 4.550 0.000 0.000 0.345 485 Y C 0.289 176.272 175.900 0.139 0.000 1.303 485 Y CA -0.171 58.016 58.100 0.144 0.000 1.537 485 Y CB 0.508 39.020 38.460 0.087 0.000 1.383 485 Y HN 0.453 nan 8.280 nan 0.000 0.606 486 Q N 0.116 120.066 119.800 0.251 0.000 2.553 486 Q HA 0.438 4.778 4.340 0.000 0.000 0.293 486 Q C -1.473 174.541 176.000 0.023 0.000 1.038 486 Q CA -1.191 54.682 55.803 0.117 0.000 0.777 486 Q CB 2.412 31.200 28.738 0.083 0.000 1.487 486 Q HN 0.338 nan 8.270 nan 0.000 0.426 487 I N 1.646 122.189 120.570 -0.045 0.000 2.519 487 I HA 0.085 4.255 4.170 0.000 0.000 0.287 487 I C 0.172 176.132 176.117 -0.263 0.000 1.047 487 I CA -0.135 61.082 61.300 -0.139 0.000 1.381 487 I CB 0.582 38.506 38.000 -0.128 0.000 1.417 487 I HN 0.615 nan 8.210 nan 0.000 0.540 488 E N 8.056 127.986 120.200 -0.450 0.000 2.585 488 E HA -0.044 4.306 4.350 0.000 0.000 0.252 488 E C -1.372 174.753 176.600 -0.792 0.000 0.981 488 E CA -0.670 55.214 56.400 -0.860 0.000 0.943 488 E CB 0.136 28.861 29.700 -1.624 0.000 0.923 488 E HN 0.378 nan 8.360 nan 0.000 0.486 489 P HA -0.198 nan 4.420 nan 0.000 0.217 489 P C 0.648 177.610 177.300 -0.564 0.000 1.148 489 P CA 1.284 64.029 63.100 -0.593 0.000 0.828 489 P CB -0.123 31.055 31.700 -0.869 0.000 0.783 490 W N 0.661 121.515 121.300 -0.742 0.000 3.216 490 W HA 0.206 4.866 4.660 0.000 0.000 0.247 490 W C 1.052 177.582 176.519 0.018 0.000 1.326 490 W CA -0.047 57.126 57.345 -0.287 0.000 1.564 490 W CB -0.900 28.492 29.460 -0.113 0.000 1.113 490 W HN -0.089 nan 8.180 nan 0.000 0.722 491 K N 0.137 120.391 120.400 -0.243 0.000 2.438 491 K HA 0.114 4.434 4.320 0.000 0.000 0.206 491 K C 1.109 177.680 176.600 -0.049 0.000 1.081 491 K CA 0.938 57.133 56.287 -0.153 0.000 1.053 491 K CB 0.708 33.019 32.500 -0.315 0.000 0.908 491 K HN 0.222 nan 8.250 nan 0.000 0.556 492 T N -3.141 111.404 114.554 -0.014 0.000 3.192 492 T HA 0.078 4.428 4.350 0.000 0.000 0.295 492 T C -0.395 174.382 174.700 0.128 0.000 0.947 492 T CA -0.410 61.709 62.100 0.031 0.000 0.916 492 T CB -0.231 68.624 68.868 -0.020 0.000 1.169 492 T HN 0.028 nan 8.240 nan 0.000 0.540 493 H N 3.179 122.310 119.070 0.103 0.000 2.705 493 H HA 0.510 5.066 4.556 0.000 0.000 0.291 493 H C 0.517 175.971 175.328 0.210 0.000 1.085 493 H CA -1.740 54.389 56.048 0.134 0.000 1.357 493 H CB 0.257 30.133 29.762 0.190 0.000 1.419 493 H HN 0.497 nan 8.280 nan 0.000 0.462 494 I N 2.424 122.859 120.570 -0.225 0.000 2.349 494 I HA 0.120 4.290 4.170 0.000 0.000 0.302 494 I C -0.505 175.419 176.117 -0.322 0.000 1.180 494 I CA -0.655 60.561 61.300 -0.140 0.000 1.405 494 I CB -0.447 37.510 38.000 -0.072 0.000 1.474 494 I HN 0.411 nan 8.210 nan 0.000 0.632 495 W N 4.750 125.871 121.300 -0.299 0.000 2.443 495 W HA 0.239 4.899 4.660 0.000 0.000 0.335 495 W C 1.304 177.767 176.519 -0.093 0.000 1.382 495 W CA 1.004 58.244 57.345 -0.175 0.000 1.305 495 W CB 0.103 29.581 29.460 0.029 0.000 1.283 495 W HN 0.754 nan 8.180 nan 0.000 0.567 496 Q N 2.767 122.619 119.800 0.086 0.000 2.696 496 Q HA 0.165 4.506 4.340 0.000 0.000 0.305 496 Q C 1.062 177.136 176.000 0.124 0.000 1.153 496 Q CA 0.967 56.814 55.803 0.074 0.000 0.862 496 Q CB -1.210 27.548 28.738 0.033 0.000 3.939 496 Q HN 0.771 nan 8.270 nan 0.000 0.458 497 N N 0.000 118.753 118.700 0.089 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.098 53.050 0.079 0.000 0.885 497 N CB 0.000 38.517 38.487 0.050 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667