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 3e67_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX 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 0.000 176.187 176.000 0.311 0.000 1.003 77 Q CA 0.000 55.866 55.803 0.104 0.000 1.022 77 Q CB 0.000 28.701 28.738 -0.062 0.000 1.108 78 Y N -1.783 118.592 120.300 0.125 0.000 2.625 78 Y HA 0.830 5.380 4.550 0.000 0.000 0.338 78 Y C -0.711 175.207 175.900 0.030 0.000 1.123 78 Y CA -1.810 56.349 58.100 0.099 0.000 1.046 78 Y CB 1.516 39.996 38.460 0.033 0.000 1.299 78 Y HN 0.443 nan 8.280 nan 0.000 0.464 79 V N 2.611 122.661 119.914 0.227 0.000 2.417 79 V HA 0.504 4.624 4.120 0.000 0.000 0.291 79 V C -0.067 176.168 176.094 0.236 0.000 1.024 79 V CA -0.925 61.412 62.300 0.062 0.000 0.861 79 V CB 1.357 33.061 31.823 -0.197 0.000 0.985 79 V HN 0.815 nan 8.190 nan 0.000 0.436 80 R N 4.039 124.667 120.500 0.212 0.000 2.442 80 R HA 0.427 4.767 4.340 0.000 0.000 0.291 80 R C -1.051 175.323 176.300 0.123 0.000 1.069 80 R CA -0.201 56.049 56.100 0.251 0.000 1.022 80 R CB 0.435 30.853 30.300 0.198 0.000 0.976 80 R HN 0.507 nan 8.270 nan 0.000 0.443 81 I N 4.249 124.871 120.570 0.085 0.000 2.466 81 I HA 0.281 4.451 4.170 0.000 0.000 0.289 81 I C -0.417 175.642 176.117 -0.096 0.000 1.026 81 I CA -0.543 60.757 61.300 0.001 0.000 1.078 81 I CB 1.683 39.675 38.000 -0.013 0.000 1.249 81 I HN 0.613 nan 8.210 nan 0.000 0.429 82 K N 5.522 125.838 120.400 -0.140 0.000 2.270 82 K HA 0.372 4.692 4.320 0.000 0.000 0.255 82 K C -0.419 176.015 176.600 -0.276 0.000 0.936 82 K CA -0.552 55.548 56.287 -0.312 0.000 0.809 82 K CB 1.749 33.881 32.500 -0.614 0.000 1.131 82 K HN 0.677 nan 8.250 nan 0.000 0.427 83 N N 4.080 122.638 118.700 -0.237 0.000 2.589 83 N HA 0.097 4.837 4.740 0.000 0.000 0.232 83 N C -0.208 175.270 175.510 -0.055 0.000 1.015 83 N CA -0.622 52.398 53.050 -0.050 0.000 0.931 83 N CB 0.450 38.922 38.487 -0.026 0.000 1.150 83 N HN 0.599 nan 8.380 nan 0.000 0.512 84 W N 2.722 124.083 121.300 0.102 0.000 2.747 84 W HA 0.096 4.756 4.660 0.000 0.000 0.244 84 W C 1.930 178.478 176.519 0.049 0.000 1.270 84 W CA 0.078 57.478 57.345 0.092 0.000 1.333 84 W CB 0.064 29.608 29.460 0.140 0.000 1.139 84 W HN 0.616 nan 8.180 nan 0.000 0.662 85 G N -0.056 108.864 108.800 0.201 0.000 2.473 85 G HA2 -0.177 3.783 3.960 0.000 0.000 0.212 85 G HA3 -0.177 3.783 3.960 0.000 0.000 0.212 85 G C 1.581 176.489 174.900 0.013 0.000 1.211 85 G CA 1.143 46.262 45.100 0.033 0.000 0.813 85 G HN 0.265 nan 8.290 nan 0.000 0.541 86 S N -0.822 114.884 115.700 0.009 0.000 2.503 86 S HA 0.368 4.838 4.470 0.000 0.000 0.217 86 S C 1.932 176.509 174.600 -0.040 0.000 0.999 86 S CA 1.057 59.247 58.200 -0.018 0.000 0.914 86 S CB 0.253 63.438 63.200 -0.025 0.000 0.782 86 S HN 1.632 nan 8.310 nan 0.000 0.520 87 G N 1.011 109.775 108.800 -0.060 0.000 2.241 87 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 87 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 87 G C -0.089 174.717 174.900 -0.157 0.000 0.998 87 G CA 0.066 45.096 45.100 -0.116 0.000 0.621 87 G HN 0.516 nan 8.290 nan 0.000 0.519 88 E N 0.675 120.797 120.200 -0.130 0.000 2.492 88 E HA 0.259 4.609 4.350 0.000 0.000 0.266 88 E C 0.656 177.141 176.600 -0.191 0.000 1.047 88 E CA 0.418 56.729 56.400 -0.148 0.000 0.968 88 E CB 0.759 30.378 29.700 -0.135 0.000 0.960 88 E HN 0.377 nan 8.360 nan 0.000 0.452 89 I N 2.322 122.774 120.570 -0.197 0.000 2.646 89 I HA 0.402 4.572 4.170 0.000 0.000 0.299 89 I C 0.139 176.094 176.117 -0.270 0.000 1.036 89 I CA -0.688 60.487 61.300 -0.207 0.000 1.074 89 I CB 1.209 39.114 38.000 -0.158 0.000 1.258 89 I HN 0.291 nan 8.210 nan 0.000 0.430 90 L N 4.390 125.467 121.223 -0.242 0.000 2.371 90 L HA 0.482 4.822 4.340 0.000 0.000 0.262 90 L C -0.809 176.051 176.870 -0.018 0.000 1.006 90 L CA -0.715 53.964 54.840 -0.267 0.000 0.818 90 L CB 2.540 44.306 42.059 -0.489 0.000 1.354 90 L HN 0.538 nan 8.230 nan 0.000 0.415 91 H N 0.778 119.857 119.070 0.016 0.000 2.638 91 H HA 0.172 4.728 4.556 0.000 0.000 0.317 91 H C -1.106 174.332 175.328 0.184 0.000 1.006 91 H CA -0.743 55.295 56.048 -0.017 0.000 1.222 91 H CB 1.872 31.305 29.762 -0.549 0.000 1.419 91 H HN 0.424 nan 8.280 nan 0.000 0.489 92 D N 3.052 123.684 120.400 0.387 0.000 2.339 92 D HA 0.008 4.648 4.640 0.000 0.000 0.241 92 D C 0.636 177.067 176.300 0.220 0.000 1.183 92 D CA 0.028 54.177 54.000 0.248 0.000 0.859 92 D CB 1.091 42.011 40.800 0.200 0.000 1.067 92 D HN 0.701 nan 8.370 nan 0.000 0.484 93 T N 1.065 115.679 114.554 0.100 0.000 3.084 93 T HA 0.027 4.377 4.350 0.000 0.000 0.270 93 T C 1.390 176.035 174.700 -0.092 0.000 1.008 93 T CA -0.371 61.761 62.100 0.054 0.000 0.900 93 T CB 0.213 69.147 68.868 0.111 0.000 1.084 93 T HN 0.245 nan 8.240 nan 0.000 0.538 94 L N 2.238 123.390 121.223 -0.118 0.000 2.416 94 L HA 0.221 4.561 4.340 0.000 0.000 0.216 94 L C 2.330 178.988 176.870 -0.353 0.000 1.098 94 L CA 1.148 55.897 54.840 -0.153 0.000 0.840 94 L CB -0.634 41.383 42.059 -0.069 0.000 0.981 94 L HN 0.507 nan 8.230 nan 0.000 0.462 95 H N -2.291 116.314 119.070 -0.774 0.000 2.518 95 H HA -0.146 4.410 4.556 0.000 0.000 0.289 95 H C 1.413 176.419 175.328 -0.537 0.000 1.051 95 H CA 1.687 57.011 56.048 -1.206 0.000 1.280 95 H CB -1.059 28.002 29.762 -1.168 0.000 1.380 95 H HN 0.564 nan 8.280 nan 0.000 0.566 96 H N 1.163 119.749 119.070 -0.806 0.000 2.518 96 H HA 0.031 4.587 4.556 0.000 0.000 0.289 96 H C 1.331 176.511 175.328 -0.247 0.000 1.051 96 H CA 0.761 56.502 56.048 -0.511 0.000 1.280 96 H CB 0.340 29.853 29.762 -0.415 0.000 1.380 96 H HN 0.365 nan 8.280 nan 0.000 0.566 97 K N 0.684 121.030 120.400 -0.091 0.000 2.437 97 K HA 0.232 4.552 4.320 0.000 0.000 0.198 97 K C 0.542 177.149 176.600 0.012 0.000 1.024 97 K CA -0.208 56.071 56.287 -0.013 0.000 1.148 97 K CB 0.776 33.285 32.500 0.014 0.000 0.860 97 K HN 0.141 nan 8.250 nan 0.000 0.515 98 A N 1.486 124.297 122.820 -0.016 0.000 2.366 98 A HA 0.170 4.490 4.320 0.000 0.000 0.250 98 A C 1.076 178.674 177.584 0.023 0.000 1.099 98 A CA -0.027 52.029 52.037 0.032 0.000 0.794 98 A CB 0.251 19.271 19.000 0.033 0.000 1.056 98 A HN 0.322 nan 8.150 nan 0.000 0.499 99 T N -1.296 113.267 114.554 0.014 0.000 2.579 99 T HA 0.418 4.768 4.350 0.000 0.000 0.214 99 T C 0.999 175.709 174.700 0.016 0.000 0.899 99 T CA 0.493 62.601 62.100 0.013 0.000 1.323 99 T CB -0.639 68.228 68.868 -0.001 0.000 2.982 99 T HN 0.555 nan 8.240 nan 0.000 0.440 110 L N 6.518 127.772 121.223 0.052 0.000 2.580 110 L HA 0.656 4.996 4.340 0.000 0.000 0.266 110 L C 1.145 178.051 176.870 0.060 0.000 0.955 110 L CA 0.899 55.769 54.840 0.049 0.000 0.886 110 L CB 1.435 43.523 42.059 0.048 0.000 1.263 110 L HN 1.036 nan 8.230 nan 0.000 0.406 111 G N 2.346 111.178 108.800 0.052 0.000 3.451 111 G HA2 -0.400 3.560 3.960 0.000 0.000 0.371 111 G HA3 -0.400 3.560 3.960 0.000 0.000 0.371 111 G C 0.799 175.753 174.900 0.091 0.000 0.895 111 G CA 1.172 46.308 45.100 0.060 0.000 0.744 111 G HN 0.892 nan 8.290 nan 0.000 1.227 112 S N 0.056 115.814 115.700 0.096 0.000 2.552 112 S HA 0.498 4.968 4.470 0.000 0.000 0.246 112 S C 0.477 175.160 174.600 0.139 0.000 1.019 112 S CA -0.669 57.610 58.200 0.132 0.000 1.045 112 S CB 0.213 63.483 63.200 0.118 0.000 0.784 112 S HN 0.407 nan 8.310 nan 0.000 0.453 113 I N 2.194 122.837 120.570 0.122 0.000 2.533 113 I HA 0.149 4.319 4.170 0.000 0.000 0.284 113 I C 1.480 177.690 176.117 0.156 0.000 1.109 113 I CA 0.034 61.404 61.300 0.116 0.000 1.412 113 I CB 0.169 38.223 38.000 0.090 0.000 1.396 113 I HN 0.429 nan 8.210 nan 0.000 0.543 114 M N 5.547 125.244 119.600 0.161 0.000 2.156 114 M HA -0.053 4.427 4.480 0.000 0.000 0.264 114 M C 0.473 176.864 176.300 0.152 0.000 1.067 114 M CA 1.630 57.057 55.300 0.211 0.000 1.131 114 M CB 0.182 32.898 32.600 0.193 0.000 1.368 114 M HN 0.501 nan 8.290 nan 0.000 0.416 115 N N 1.377 120.123 118.700 0.077 0.000 2.914 115 N HA 0.330 5.070 4.740 0.000 0.000 0.304 115 N C -2.534 173.028 175.510 0.087 0.000 1.727 115 N CA -0.859 52.213 53.050 0.037 0.000 0.986 115 N CB 0.359 38.795 38.487 -0.085 0.000 1.297 115 N HN 0.290 nan 8.380 nan 0.000 0.490 116 P HA 0.199 nan 4.420 nan 0.000 0.275 116 P C 0.611 177.982 177.300 0.118 0.000 1.227 116 P CA -0.262 62.900 63.100 0.103 0.000 0.781 116 P CB 1.977 33.736 31.700 0.098 0.000 0.906 117 K N 1.014 121.465 120.400 0.085 0.000 2.113 117 K HA -0.142 4.178 4.320 0.000 0.000 0.208 117 K C 2.097 178.760 176.600 0.105 0.000 1.047 117 K CA 2.113 58.450 56.287 0.083 0.000 0.928 117 K CB -0.411 32.119 32.500 0.050 0.000 0.716 117 K HN 0.569 nan 8.250 nan 0.000 0.446 118 S N 0.780 116.534 115.700 0.090 0.000 2.465 118 S HA -0.122 4.348 4.470 0.000 0.000 0.241 118 S C 1.576 176.251 174.600 0.126 0.000 1.000 118 S CA 0.957 59.207 58.200 0.084 0.000 0.964 118 S CB -0.236 62.993 63.200 0.048 0.000 0.763 118 S HN 0.244 nan 8.310 nan 0.000 0.512 119 L N 0.849 122.173 121.223 0.169 0.000 2.728 119 L HA 0.272 4.612 4.340 0.000 0.000 0.238 119 L C -0.119 176.993 176.870 0.404 0.000 1.143 119 L CA 0.022 54.988 54.840 0.209 0.000 0.937 119 L CB 0.298 42.439 42.059 0.136 0.000 1.225 119 L HN 0.217 nan 8.230 nan 0.000 0.507 120 T N -0.185 114.588 114.554 0.366 0.000 2.829 120 T HA 0.428 4.778 4.350 0.000 0.000 0.280 120 T C -0.464 174.337 174.700 0.168 0.000 0.999 120 T CA -0.450 61.838 62.100 0.314 0.000 0.983 120 T CB 2.345 71.328 68.868 0.192 0.000 0.968 120 T HN -0.090 nan 8.240 nan 0.000 0.446 121 R N 1.883 122.440 120.500 0.094 0.000 2.352 121 R HA 0.576 4.916 4.340 0.000 0.000 0.304 121 R C 0.515 176.792 176.300 -0.038 0.000 1.104 121 R CA -0.377 55.658 56.100 -0.109 0.000 0.991 121 R CB 0.129 30.225 30.300 -0.341 0.000 1.140 121 R HN 0.831 nan 8.270 nan 0.000 0.540 122 G N 3.284 112.058 108.800 -0.042 0.000 2.570 122 G HA2 0.281 4.241 3.960 0.000 0.000 0.276 122 G HA3 0.281 4.241 3.960 0.000 0.000 0.276 122 G C -1.951 172.921 174.900 -0.047 0.000 1.346 122 G CA -0.844 44.231 45.100 -0.040 0.000 1.034 122 G HN 0.571 nan 8.290 nan 0.000 0.512 123 P HA 0.382 nan 4.420 nan 0.000 0.274 123 P C -0.828 176.445 177.300 -0.045 0.000 1.256 123 P CA -0.263 62.810 63.100 -0.045 0.000 0.795 123 P CB 1.152 32.822 31.700 -0.050 0.000 1.038 124 R N 0.026 120.499 120.500 -0.045 0.000 2.707 124 R HA 0.301 4.641 4.340 0.000 0.000 0.272 124 R C -0.399 175.867 176.300 -0.056 0.000 1.011 124 R CA -0.552 55.520 56.100 -0.047 0.000 0.893 124 R CB 1.331 31.604 30.300 -0.045 0.000 1.233 124 R HN 0.423 nan 8.270 nan 0.000 0.464 125 D N 0.325 120.693 120.400 -0.054 0.000 2.513 125 D HA 0.170 4.810 4.640 0.000 0.000 0.222 125 D C -0.456 175.806 176.300 -0.063 0.000 1.210 125 D CA -0.204 53.757 54.000 -0.065 0.000 0.825 125 D CB 0.557 41.324 40.800 -0.055 0.000 1.037 125 D HN 0.223 nan 8.370 nan 0.000 0.506 126 K N 0.248 120.615 120.400 -0.054 0.000 2.546 126 K HA 0.448 4.768 4.320 0.000 0.000 0.264 126 K C -2.942 173.635 176.600 -0.038 0.000 0.937 126 K CA -1.808 54.453 56.287 -0.043 0.000 0.833 126 K CB 2.527 35.009 32.500 -0.031 0.000 1.378 126 K HN -0.206 nan 8.250 nan 0.000 0.432 127 P HA -0.020 nan 4.420 nan 0.000 0.270 127 P C -0.709 176.585 177.300 -0.012 0.000 1.227 127 P CA -0.103 62.986 63.100 -0.019 0.000 0.788 127 P CB 0.341 32.037 31.700 -0.008 0.000 0.926 128 T N 3.144 117.696 114.554 -0.003 0.000 2.752 128 T HA 0.200 4.550 4.350 0.000 0.000 0.295 128 T C -2.108 172.598 174.700 0.010 0.000 0.923 128 T CA -0.771 61.333 62.100 0.006 0.000 1.112 128 T CB -0.516 68.365 68.868 0.022 0.000 0.884 128 T HN 0.284 nan 8.240 nan 0.000 0.525 129 P HA 0.037 nan 4.420 nan 0.000 0.262 129 P C 0.653 177.949 177.300 -0.007 0.000 1.182 129 P CA -0.246 62.852 63.100 -0.003 0.000 0.761 129 P CB 0.435 32.130 31.700 -0.007 0.000 0.795 130 L N 3.496 124.712 121.223 -0.010 0.000 2.079 130 L HA -0.221 4.119 4.340 0.000 0.000 0.210 130 L C 2.369 179.216 176.870 -0.039 0.000 1.081 130 L CA 1.775 56.604 54.840 -0.019 0.000 0.752 130 L CB -1.221 40.828 42.059 -0.016 0.000 0.896 130 L HN 0.511 nan 8.230 nan 0.000 0.433 131 E N 0.155 120.331 120.200 -0.040 0.000 2.160 131 E HA -0.260 4.090 4.350 0.000 0.000 0.195 131 E C 1.647 178.191 176.600 -0.094 0.000 0.991 131 E CA 1.719 58.085 56.400 -0.056 0.000 0.810 131 E CB -0.373 29.301 29.700 -0.043 0.000 0.742 131 E HN 0.655 nan 8.360 nan 0.000 0.466 132 E N 0.388 120.534 120.200 -0.090 0.000 2.075 132 E HA -0.029 4.321 4.350 0.000 0.000 0.190 132 E C 2.185 178.665 176.600 -0.200 0.000 0.969 132 E CA 0.405 56.709 56.400 -0.161 0.000 0.815 132 E CB -0.149 29.524 29.700 -0.045 0.000 0.776 132 E HN 0.095 nan 8.360 nan 0.000 0.457 133 L N 1.705 122.900 121.223 -0.046 0.000 1.970 133 L HA -0.175 4.165 4.340 0.000 0.000 0.212 133 L C 2.238 179.088 176.870 -0.033 0.000 1.071 133 L CA 1.490 56.343 54.840 0.022 0.000 0.751 133 L CB -0.790 41.295 42.059 0.043 0.000 0.889 133 L HN 0.151 nan 8.230 nan 0.000 0.432 134 L N 0.253 121.430 121.223 -0.076 0.000 2.021 134 L HA -0.145 4.195 4.340 0.000 0.000 0.215 134 L C -0.447 176.378 176.870 -0.075 0.000 1.074 134 L CA 2.318 57.103 54.840 -0.092 0.000 0.760 134 L CB -2.046 39.966 42.059 -0.078 0.000 0.889 134 L HN 0.214 nan 8.230 nan 0.000 0.433 135 P HA -0.124 nan 4.420 nan 0.000 0.215 135 P C 1.329 178.633 177.300 0.007 0.000 1.157 135 P CA 1.559 64.600 63.100 -0.098 0.000 0.863 135 P CB -0.197 31.380 31.700 -0.206 0.000 0.787 136 H N -0.460 118.648 119.070 0.063 0.000 2.321 136 H HA -0.009 4.547 4.556 0.000 0.000 0.300 136 H C 1.980 177.409 175.328 0.167 0.000 1.087 136 H CA 1.531 57.647 56.048 0.113 0.000 1.319 136 H CB -1.201 28.622 29.762 0.102 0.000 1.379 136 H HN 0.031 nan 8.280 nan 0.000 0.501 137 A N 1.726 124.679 122.820 0.222 0.000 1.865 137 A HA -0.156 4.164 4.320 0.000 0.000 0.217 137 A C 2.508 180.206 177.584 0.190 0.000 1.191 137 A CA 1.630 53.751 52.037 0.140 0.000 0.623 137 A CB -0.640 18.177 19.000 -0.306 0.000 0.826 137 A HN 0.209 nan 8.150 nan 0.000 0.444 138 I N -0.008 120.623 120.570 0.101 0.000 2.163 138 I HA -0.236 3.934 4.170 0.000 0.000 0.243 138 I C 2.481 178.710 176.117 0.186 0.000 1.085 138 I CA 2.134 63.506 61.300 0.119 0.000 1.347 138 I CB -1.445 36.591 38.000 0.060 0.000 1.044 138 I HN 0.540 nan 8.210 nan 0.000 0.408 139 E N 1.265 121.584 120.200 0.199 0.000 2.070 139 E HA -0.298 4.052 4.350 0.000 0.000 0.197 139 E C 2.228 178.981 176.600 0.254 0.000 1.004 139 E CA 1.691 58.219 56.400 0.212 0.000 0.805 139 E CB -0.673 29.165 29.700 0.231 0.000 0.744 139 E HN 0.374 nan 8.360 nan 0.000 0.451 140 F N 0.680 120.753 119.950 0.204 0.000 2.075 140 F HA -0.128 4.399 4.527 0.000 0.000 0.297 140 F C 1.930 177.874 175.800 0.241 0.000 1.113 140 F CA 1.437 59.577 58.000 0.233 0.000 1.218 140 F CB -0.265 38.892 39.000 0.262 0.000 0.984 140 F HN 0.053 nan 8.300 nan 0.000 0.472 141 I N 1.060 121.766 120.570 0.227 0.000 2.315 141 I HA -0.341 3.829 4.170 0.000 0.000 0.251 141 I C 2.034 178.201 176.117 0.083 0.000 1.125 141 I CA 1.359 62.775 61.300 0.193 0.000 1.392 141 I CB -1.611 36.591 38.000 0.337 0.000 1.065 141 I HN 0.348 nan 8.210 nan 0.000 0.424 142 N N 0.541 119.305 118.700 0.106 0.000 2.188 142 N HA -0.212 4.528 4.740 0.000 0.000 0.184 142 N C 1.872 177.359 175.510 -0.039 0.000 1.018 142 N CA 0.980 54.086 53.050 0.093 0.000 0.858 142 N CB -0.103 38.493 38.487 0.183 0.000 0.989 142 N HN 0.549 nan 8.380 nan 0.000 0.426 143 Q N 0.285 120.044 119.800 -0.067 0.000 2.016 143 Q HA -0.185 4.155 4.340 0.000 0.000 0.200 143 Q C 2.085 177.926 176.000 -0.265 0.000 0.978 143 Q CA 1.206 56.965 55.803 -0.073 0.000 0.833 143 Q CB -0.240 28.516 28.738 0.030 0.000 0.895 143 Q HN 0.442 nan 8.270 nan 0.000 0.427 144 Y N -0.333 119.521 120.300 -0.743 0.000 2.081 144 Y HA -0.334 4.216 4.550 0.000 0.000 0.280 144 Y C 1.606 177.098 175.900 -0.681 0.000 1.163 144 Y CA 1.992 59.376 58.100 -1.194 0.000 1.135 144 Y CB -0.295 37.470 38.460 -1.158 0.000 0.970 144 Y HN 0.213 nan 8.280 nan 0.000 0.498 145 Y N -0.020 119.943 120.300 -0.562 0.000 2.571 145 Y HA 0.025 4.575 4.550 0.000 0.000 0.294 145 Y C 2.371 178.138 175.900 -0.222 0.000 1.141 145 Y CA 0.993 58.810 58.100 -0.472 0.000 1.308 145 Y CB -0.483 37.453 38.460 -0.873 0.000 1.002 145 Y HN 0.257 nan 8.280 nan 0.000 0.551 146 G N -1.582 107.146 108.800 -0.118 0.000 2.985 146 G HA2 -0.083 3.877 3.960 0.000 0.000 0.209 146 G HA3 -0.083 3.877 3.960 0.000 0.000 0.209 146 G C 1.575 176.462 174.900 -0.021 0.000 1.165 146 G CA 0.718 45.807 45.100 -0.018 0.000 0.776 146 G HN 0.431 nan 8.290 nan 0.000 0.541 147 S N -0.001 115.624 115.700 -0.124 0.000 2.439 147 S HA 0.246 4.716 4.470 0.000 0.000 0.224 147 S C 0.772 175.293 174.600 -0.131 0.000 1.029 147 S CA -0.601 57.523 58.200 -0.127 0.000 0.946 147 S CB -0.343 62.744 63.200 -0.187 0.000 0.797 147 S HN 0.059 nan 8.310 nan 0.000 0.504 148 F N 3.046 122.870 119.950 -0.211 0.000 2.642 148 F HA 0.151 4.678 4.527 0.000 0.000 0.371 148 F C 1.791 177.548 175.800 -0.072 0.000 1.120 148 F CA 0.219 58.129 58.000 -0.151 0.000 1.331 148 F CB 0.507 39.396 39.000 -0.184 0.000 1.044 148 F HN 0.109 nan 8.300 nan 0.000 0.594 149 K N 1.075 121.546 120.400 0.117 0.000 2.062 149 K HA -0.074 4.246 4.320 0.000 0.000 0.205 149 K C 0.083 176.730 176.600 0.080 0.000 1.051 149 K CA 1.080 57.411 56.287 0.074 0.000 0.941 149 K CB 0.177 32.706 32.500 0.049 0.000 0.719 149 K HN 0.491 nan 8.250 nan 0.000 0.440 150 E N 1.407 121.668 120.200 0.100 0.000 2.035 150 E HA 0.193 4.543 4.350 0.000 0.000 0.271 150 E C -1.031 175.594 176.600 0.041 0.000 0.953 150 E CA -0.249 56.186 56.400 0.058 0.000 0.777 150 E CB 1.329 31.056 29.700 0.044 0.000 1.104 150 E HN 0.306 nan 8.360 nan 0.000 0.408 151 A N 3.858 126.692 122.820 0.024 0.000 2.565 151 A HA -0.010 4.310 4.320 0.000 0.000 0.237 151 A C 0.356 177.889 177.584 -0.086 0.000 1.053 151 A CA 0.381 52.410 52.037 -0.013 0.000 0.755 151 A CB 0.184 19.192 19.000 0.012 0.000 0.980 151 A HN 0.434 nan 8.150 nan 0.000 0.506 152 K N 3.502 123.801 120.400 -0.169 0.000 2.800 152 K HA 0.281 4.601 4.320 0.000 0.000 0.185 152 K C 0.451 176.971 176.600 -0.133 0.000 1.082 152 K CA -0.183 55.994 56.287 -0.184 0.000 0.978 152 K CB 0.385 32.692 32.500 -0.322 0.000 1.364 152 K HN 0.733 nan 8.250 nan 0.000 0.592 153 I N 0.133 120.654 120.570 -0.082 0.000 2.145 153 I HA -0.363 3.807 4.170 0.000 0.000 0.244 153 I C 2.464 178.506 176.117 -0.125 0.000 1.075 153 I CA 1.338 62.592 61.300 -0.077 0.000 1.332 153 I CB -0.189 37.768 38.000 -0.071 0.000 1.033 153 I HN 0.507 nan 8.210 nan 0.000 0.410 154 E N 1.383 121.515 120.200 -0.113 0.000 2.021 154 E HA -0.258 4.092 4.350 0.000 0.000 0.200 154 E C 2.093 178.605 176.600 -0.146 0.000 1.015 154 E CA 1.798 58.131 56.400 -0.112 0.000 0.824 154 E CB -0.208 29.445 29.700 -0.079 0.000 0.762 154 E HN 0.518 nan 8.360 nan 0.000 0.454 155 E N -0.557 119.548 120.200 -0.158 0.000 2.097 155 E HA -0.251 4.099 4.350 0.000 0.000 0.196 155 E C 2.147 178.466 176.600 -0.467 0.000 1.000 155 E CA 1.332 57.618 56.400 -0.190 0.000 0.804 155 E CB -0.390 29.265 29.700 -0.075 0.000 0.740 155 E HN 0.489 nan 8.360 nan 0.000 0.454 156 H N 0.410 118.957 119.070 -0.872 0.000 2.251 156 H HA -0.175 4.381 4.556 0.000 0.000 0.294 156 H C 2.199 177.195 175.328 -0.552 0.000 1.078 156 H CA 1.279 56.628 56.048 -1.164 0.000 1.246 156 H CB 0.105 29.470 29.762 -0.662 0.000 1.358 156 H HN 0.050 nan 8.280 nan 0.000 0.488 157 L N 0.689 121.749 121.223 -0.272 0.000 2.081 157 L HA -0.194 4.146 4.340 0.000 0.000 0.212 157 L C 2.967 179.761 176.870 -0.127 0.000 1.080 157 L CA 1.552 56.258 54.840 -0.223 0.000 0.754 157 L CB -1.826 40.113 42.059 -0.200 0.000 0.893 157 L HN 0.502 nan 8.230 nan 0.000 0.433 158 A N 0.037 122.783 122.820 -0.124 0.000 1.865 158 A HA -0.268 4.052 4.320 0.000 0.000 0.217 158 A C 2.455 180.027 177.584 -0.020 0.000 1.191 158 A CA 1.937 53.935 52.037 -0.064 0.000 0.623 158 A CB -0.536 18.432 19.000 -0.054 0.000 0.826 158 A HN 0.298 nan 8.150 nan 0.000 0.444 159 R N -0.025 120.459 120.500 -0.027 0.000 2.091 159 R HA -0.062 4.278 4.340 0.000 0.000 0.238 159 R C 1.945 178.308 176.300 0.105 0.000 1.136 159 R CA 1.713 57.872 56.100 0.098 0.000 0.959 159 R CB -0.997 29.442 30.300 0.231 0.000 0.856 159 R HN 0.543 nan 8.270 nan 0.000 0.437 160 L N 0.248 121.510 121.223 0.065 0.000 1.990 160 L HA -0.221 4.119 4.340 0.000 0.000 0.213 160 L C 2.668 179.553 176.870 0.024 0.000 1.072 160 L CA 2.046 56.923 54.840 0.062 0.000 0.755 160 L CB -0.603 41.470 42.059 0.023 0.000 0.889 160 L HN 0.399 nan 8.230 nan 0.000 0.432 161 E N 0.031 120.232 120.200 0.001 0.000 2.051 161 E HA -0.250 4.100 4.350 0.000 0.000 0.192 161 E C 2.155 178.764 176.600 0.014 0.000 0.991 161 E CA 1.387 57.785 56.400 -0.004 0.000 0.799 161 E CB 0.019 29.710 29.700 -0.016 0.000 0.748 161 E HN 0.472 nan 8.360 nan 0.000 0.449 162 A N 0.653 123.493 122.820 0.034 0.000 1.940 162 A HA -0.144 4.176 4.320 0.000 0.000 0.219 162 A C 2.474 180.099 177.584 0.068 0.000 1.176 162 A CA 1.496 53.565 52.037 0.054 0.000 0.631 162 A CB -0.654 18.390 19.000 0.073 0.000 0.814 162 A HN 0.203 nan 8.150 nan 0.000 0.446 163 V N -0.091 119.868 119.914 0.075 0.000 2.307 163 V HA -0.232 3.888 4.120 0.000 0.000 0.245 163 V C 2.784 178.857 176.094 -0.036 0.000 1.045 163 V CA 2.483 64.815 62.300 0.053 0.000 1.024 163 V CB -1.327 30.520 31.823 0.040 0.000 0.651 163 V HN 0.650 nan 8.190 nan 0.000 0.449 164 T N -0.404 114.129 114.554 -0.036 0.000 2.652 164 T HA -0.260 4.090 4.350 0.000 0.000 0.267 164 T C 2.004 176.691 174.700 -0.021 0.000 1.039 164 T CA 1.664 63.736 62.100 -0.047 0.000 1.153 164 T CB -0.295 68.555 68.868 -0.031 0.000 0.863 164 T HN 0.240 nan 8.240 nan 0.000 0.428 165 K N 1.121 121.522 120.400 0.001 0.000 2.032 165 K HA -0.070 4.250 4.320 0.000 0.000 0.209 165 K C 2.270 178.885 176.600 0.025 0.000 1.048 165 K CA 1.381 57.675 56.287 0.012 0.000 0.927 165 K CB -0.418 32.093 32.500 0.019 0.000 0.712 165 K HN 0.532 nan 8.250 nan 0.000 0.441 166 E N 0.130 120.355 120.200 0.043 0.000 2.110 166 E HA -0.166 4.184 4.350 0.000 0.000 0.193 166 E C 1.752 178.391 176.600 0.065 0.000 0.988 166 E CA 1.149 57.592 56.400 0.070 0.000 0.804 166 E CB -0.023 29.749 29.700 0.120 0.000 0.745 166 E HN 0.278 nan 8.360 nan 0.000 0.458 167 I N 0.594 121.182 120.570 0.030 0.000 2.286 167 I HA -0.202 3.968 4.170 0.000 0.000 0.245 167 I C 2.273 178.399 176.117 0.015 0.000 1.104 167 I CA 1.028 62.338 61.300 0.017 0.000 1.397 167 I CB -0.340 37.627 38.000 -0.054 0.000 1.072 167 I HN 0.129 nan 8.210 nan 0.000 0.417 168 E N 0.752 120.955 120.200 0.005 0.000 2.058 168 E HA -0.218 4.132 4.350 0.000 0.000 0.194 168 E C 2.213 178.822 176.600 0.015 0.000 0.997 168 E CA 2.250 58.653 56.400 0.005 0.000 0.801 168 E CB -0.153 29.547 29.700 0.001 0.000 0.746 168 E HN 0.596 nan 8.360 nan 0.000 0.450 169 T N -1.577 112.990 114.554 0.022 0.000 2.942 169 T HA -0.087 4.263 4.350 0.000 0.000 0.265 169 T C 2.153 176.873 174.700 0.033 0.000 1.062 169 T CA 1.498 63.614 62.100 0.026 0.000 1.139 169 T CB -0.296 68.589 68.868 0.028 0.000 0.883 169 T HN 0.237 nan 8.240 nan 0.000 0.468 170 T N -2.085 112.495 114.554 0.044 0.000 3.034 170 T HA 0.465 4.815 4.350 0.000 0.000 0.248 170 T C 1.854 176.584 174.700 0.050 0.000 1.040 170 T CA 0.734 62.865 62.100 0.051 0.000 1.107 170 T CB -0.313 68.596 68.868 0.067 0.000 0.932 170 T HN 1.004 nan 8.240 nan 0.000 0.474 171 G N 0.325 109.154 108.800 0.049 0.000 2.142 171 G HA2 -0.015 3.945 3.960 0.000 0.000 0.225 171 G HA3 -0.015 3.945 3.960 0.000 0.000 0.225 171 G C 0.150 175.088 174.900 0.063 0.000 1.015 171 G CA 0.516 45.642 45.100 0.043 0.000 0.716 171 G HN 1.164 nan 8.290 nan 0.000 0.508 172 T N -1.688 112.926 114.554 0.099 0.000 2.640 172 T HA 0.599 4.949 4.350 0.000 0.000 0.279 172 T C -1.981 172.889 174.700 0.284 0.000 1.995 172 T CA 0.588 62.789 62.100 0.169 0.000 0.943 172 T CB 0.670 69.600 68.868 0.102 0.000 2.141 172 T HN 1.869 nan 8.240 nan 0.000 0.444 173 Y N 0.149 120.458 120.300 0.015 0.000 2.592 173 Y HA 0.776 5.326 4.550 0.000 0.000 0.334 173 Y C -1.502 174.419 175.900 0.033 0.000 1.136 173 Y CA -1.266 56.854 58.100 0.034 0.000 1.042 173 Y CB 0.862 39.355 38.460 0.054 0.000 1.325 173 Y HN 0.498 nan 8.280 nan 0.000 0.457 174 Q N 3.511 123.284 119.800 -0.045 0.000 2.257 174 Q HA 0.504 4.844 4.340 0.000 0.000 0.255 174 Q C -0.616 175.303 176.000 -0.134 0.000 0.920 174 Q CA -0.706 55.027 55.803 -0.117 0.000 0.927 174 Q CB 2.617 31.352 28.738 -0.006 0.000 1.229 174 Q HN 0.873 nan 8.270 nan 0.000 0.433 175 L N 1.408 122.528 121.223 -0.171 0.000 2.418 175 L HA 0.281 4.621 4.340 0.000 0.000 0.265 175 L C 1.091 177.949 176.870 -0.020 0.000 1.143 175 L CA -0.497 54.287 54.840 -0.094 0.000 0.809 175 L CB 0.472 42.466 42.059 -0.109 0.000 1.124 175 L HN 0.645 nan 8.230 nan 0.000 0.456 176 T N -0.905 113.651 114.554 0.003 0.000 2.899 176 T HA 0.123 4.473 4.350 0.000 0.000 0.295 176 T C 0.976 175.654 174.700 -0.036 0.000 1.033 176 T CA -0.711 61.392 62.100 0.004 0.000 1.084 176 T CB 1.030 69.918 68.868 0.032 0.000 0.979 176 T HN 0.499 nan 8.240 nan 0.000 0.532 177 L N 1.192 122.402 121.223 -0.022 0.000 2.043 177 L HA -0.122 4.218 4.340 0.000 0.000 0.212 177 L C 2.244 179.086 176.870 -0.047 0.000 1.075 177 L CA 2.075 56.892 54.840 -0.039 0.000 0.752 177 L CB -1.102 40.942 42.059 -0.024 0.000 0.891 177 L HN 0.947 nan 8.230 nan 0.000 0.432 178 D N -0.856 119.526 120.400 -0.030 0.000 2.144 178 D HA -0.219 4.421 4.640 0.000 0.000 0.199 178 D C 1.859 178.083 176.300 -0.127 0.000 0.984 178 D CA 1.530 55.520 54.000 -0.016 0.000 0.834 178 D CB 0.231 41.082 40.800 0.084 0.000 0.955 178 D HN 0.607 nan 8.370 nan 0.000 0.465 179 E N 0.043 120.057 120.200 -0.311 0.000 2.072 179 E HA -0.165 4.185 4.350 0.000 0.000 0.191 179 E C 2.124 178.729 176.600 0.008 0.000 0.985 179 E CA 0.286 56.438 56.400 -0.413 0.000 0.801 179 E CB -0.044 29.472 29.700 -0.306 0.000 0.750 179 E HN 0.143 nan 8.360 nan 0.000 0.452 180 L N 1.329 122.522 121.223 -0.049 0.000 2.012 180 L HA -0.182 4.158 4.340 0.000 0.000 0.210 180 L C 2.027 178.864 176.870 -0.055 0.000 1.073 180 L CA 1.569 56.357 54.840 -0.086 0.000 0.748 180 L CB -0.315 41.653 42.059 -0.153 0.000 0.891 180 L HN 0.138 nan 8.230 nan 0.000 0.431 181 I N -1.332 119.218 120.570 -0.032 0.000 2.163 181 I HA -0.352 3.818 4.170 0.000 0.000 0.243 181 I C 2.401 178.558 176.117 0.067 0.000 1.085 181 I CA 1.866 63.156 61.300 -0.018 0.000 1.347 181 I CB -0.492 37.498 38.000 -0.017 0.000 1.044 181 I HN 0.323 nan 8.210 nan 0.000 0.408 182 F N 1.732 121.673 119.950 -0.015 0.000 2.161 182 F HA -0.243 4.284 4.527 0.000 0.000 0.300 182 F C 2.432 178.298 175.800 0.110 0.000 1.089 182 F CA 1.442 59.479 58.000 0.061 0.000 1.282 182 F CB -0.212 38.838 39.000 0.083 0.000 1.010 182 F HN 0.004 nan 8.300 nan 0.000 0.485 183 A N 0.090 123.035 122.820 0.209 0.000 1.877 183 A HA -0.198 4.122 4.320 0.000 0.000 0.216 183 A C 2.278 179.788 177.584 -0.123 0.000 1.186 183 A CA 2.442 54.526 52.037 0.077 0.000 0.620 183 A CB -1.632 17.382 19.000 0.022 0.000 0.822 183 A HN 0.535 nan 8.150 nan 0.000 0.443 184 T N -1.366 113.126 114.554 -0.103 0.000 2.746 184 T HA -0.157 4.193 4.350 0.000 0.000 0.267 184 T C 1.786 176.491 174.700 0.009 0.000 1.039 184 T CA 1.634 63.691 62.100 -0.072 0.000 1.142 184 T CB -0.361 68.484 68.868 -0.038 0.000 0.866 184 T HN 0.554 nan 8.240 nan 0.000 0.444 185 K N 0.257 120.675 120.400 0.030 0.000 2.097 185 K HA 0.096 4.416 4.320 0.000 0.000 0.205 185 K C 2.489 179.145 176.600 0.094 0.000 1.050 185 K CA 1.064 57.456 56.287 0.175 0.000 0.938 185 K CB -0.232 32.353 32.500 0.143 0.000 0.718 185 K HN 0.245 nan 8.250 nan 0.000 0.442 186 M N 0.682 120.180 119.600 -0.171 0.000 2.099 186 M HA -0.071 4.409 4.480 0.000 0.000 0.262 186 M C 2.468 178.629 176.300 -0.231 0.000 1.067 186 M CA 1.451 56.580 55.300 -0.285 0.000 1.124 186 M CB -1.141 31.200 32.600 -0.430 0.000 1.353 186 M HN 0.159 nan 8.290 nan 0.000 0.410 187 A N -0.675 121.955 122.820 -0.318 0.000 1.940 187 A HA -0.216 4.104 4.320 0.000 0.000 0.219 187 A C 2.030 179.373 177.584 -0.401 0.000 1.176 187 A CA 1.576 53.257 52.037 -0.593 0.000 0.631 187 A CB -1.145 17.084 19.000 -1.284 0.000 0.814 187 A HN 0.681 nan 8.150 nan 0.000 0.446 188 W N 0.895 122.019 121.300 -0.293 0.000 2.379 188 W HA -0.110 4.550 4.660 0.000 0.000 0.307 188 W C 2.304 178.736 176.519 -0.144 0.000 1.200 188 W CA 1.474 58.762 57.345 -0.095 0.000 1.297 188 W CB -0.762 28.663 29.460 -0.058 0.000 1.140 188 W HN 0.358 nan 8.180 nan 0.000 0.507 189 R N 0.375 120.830 120.500 -0.075 0.000 2.139 189 R HA -0.188 4.152 4.340 0.000 0.000 0.243 189 R C 1.019 177.200 176.300 -0.198 0.000 1.145 189 R CA 1.796 57.724 56.100 -0.287 0.000 0.976 189 R CB -0.558 29.464 30.300 -0.464 0.000 0.866 189 R HN 0.073 nan 8.270 nan 0.000 0.449 190 N N 0.024 118.623 118.700 -0.169 0.000 2.313 190 N HA 0.076 4.816 4.740 0.000 0.000 0.207 190 N C -0.969 174.433 175.510 -0.180 0.000 1.141 190 N CA 0.345 53.316 53.050 -0.131 0.000 0.830 190 N CB 1.276 39.733 38.487 -0.051 0.000 1.008 190 N HN 0.154 nan 8.380 nan 0.000 0.481 191 A N 1.383 124.100 122.820 -0.173 0.000 2.506 191 A HA 0.395 4.715 4.320 0.000 0.000 0.320 191 A C -1.355 176.150 177.584 -0.132 0.000 1.424 191 A CA -1.242 50.652 52.037 -0.239 0.000 1.044 191 A CB 0.582 19.519 19.000 -0.105 0.000 1.140 191 A HN -0.048 nan 8.150 nan 0.000 0.538 192 P HA -0.176 nan 4.420 nan 0.000 0.218 192 P C 1.100 178.354 177.300 -0.077 0.000 1.146 192 P CA 1.293 64.346 63.100 -0.078 0.000 0.813 192 P CB 0.149 31.808 31.700 -0.069 0.000 0.778 193 R N -2.439 117.975 120.500 -0.145 0.000 2.317 193 R HA 0.154 4.494 4.340 0.000 0.000 0.208 193 R C 0.399 176.713 176.300 0.022 0.000 0.914 193 R CA -0.168 55.887 56.100 -0.075 0.000 1.060 193 R CB -0.382 29.664 30.300 -0.422 0.000 1.015 193 R HN 0.198 nan 8.270 nan 0.000 0.498 194 C N 0.618 119.903 119.300 -0.025 0.000 2.369 194 C HA 0.318 4.778 4.460 0.000 0.000 0.358 194 C C 1.737 176.677 174.990 -0.082 0.000 1.274 194 C CA -0.722 58.309 59.018 0.022 0.000 1.935 194 C CB -0.164 27.664 27.740 0.146 0.000 2.431 194 C HN 0.544 nan 8.230 nan 0.000 0.545 195 I N 3.862 124.370 120.570 -0.104 0.000 3.603 195 I HA 0.213 4.383 4.170 0.000 0.000 0.297 195 I C 1.732 177.866 176.117 0.029 0.000 1.269 195 I CA 0.831 62.003 61.300 -0.213 0.000 1.361 195 I CB 0.084 37.967 38.000 -0.196 0.000 1.063 195 I HN 0.909 nan 8.210 nan 0.000 0.448 196 G N 0.079 108.915 108.800 0.059 0.000 3.434 196 G HA2 0.075 4.035 3.960 0.000 0.000 0.258 196 G HA3 0.075 4.035 3.960 0.000 0.000 0.258 196 G C 1.141 176.018 174.900 -0.039 0.000 1.128 196 G CA -0.381 44.753 45.100 0.056 0.000 0.792 196 G HN 0.218 nan 8.290 nan 0.000 0.539 197 R N -0.118 120.278 120.500 -0.173 0.000 2.397 197 R HA 0.077 4.417 4.340 0.000 0.000 0.213 197 R C 1.897 177.618 176.300 -0.965 0.000 1.102 197 R CA 0.202 55.873 56.100 -0.716 0.000 1.040 197 R CB -0.165 29.776 30.300 -0.597 0.000 0.844 197 R HN 0.455 nan 8.270 nan 0.000 0.478 198 I N 0.646 120.884 120.570 -0.554 0.000 2.676 198 I HA -0.224 3.946 4.170 0.000 0.000 0.259 198 I C 1.410 177.430 176.117 -0.162 0.000 1.194 198 I CA 1.166 62.327 61.300 -0.231 0.000 1.473 198 I CB 0.176 38.178 38.000 0.003 0.000 1.096 198 I HN 0.198 nan 8.210 nan 0.000 0.443 199 Q N 0.636 120.247 119.800 -0.315 0.000 2.403 199 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 199 Q C 1.658 177.218 176.000 -0.734 0.000 0.932 199 Q CA 0.459 56.069 55.803 -0.321 0.000 0.945 199 Q CB -0.240 28.460 28.738 -0.064 0.000 1.045 199 Q HN 0.774 nan 8.270 nan 0.000 0.511 200 W N 1.380 121.931 121.300 -1.250 0.000 2.258 200 W HA -0.306 4.354 4.660 0.000 0.000 0.302 200 W C 1.327 177.575 176.519 -0.452 0.000 1.241 200 W CA 1.709 58.268 57.345 -1.310 0.000 1.246 200 W CB -1.399 27.505 29.460 -0.927 0.000 1.134 200 W HN 0.201 nan 8.180 nan 0.000 0.531 201 S N 0.639 115.534 115.700 -1.340 0.000 2.478 201 S HA -0.006 4.464 4.470 0.000 0.000 0.222 201 S C 0.457 174.803 174.600 -0.424 0.000 1.008 201 S CA 0.302 57.868 58.200 -1.057 0.000 0.928 201 S CB -0.707 61.740 63.200 -1.254 0.000 0.781 201 S HN 0.164 nan 8.310 nan 0.000 0.518 202 N N 1.783 120.333 118.700 -0.251 0.000 2.868 202 N HA 0.559 5.299 4.740 0.000 0.000 0.252 202 N C -1.301 174.264 175.510 0.091 0.000 1.130 202 N CA -0.218 52.802 53.050 -0.050 0.000 1.026 202 N CB 0.975 39.470 38.487 0.014 0.000 1.335 202 N HN 0.393 nan 8.380 nan 0.000 0.516 203 L N 1.345 122.588 121.223 0.032 0.000 2.505 203 L HA 0.436 4.776 4.340 0.000 0.000 0.266 203 L C -1.101 175.698 176.870 -0.118 0.000 0.954 203 L CA -0.812 54.035 54.840 0.012 0.000 0.852 203 L CB 1.910 44.025 42.059 0.094 0.000 1.282 203 L HN 0.206 nan 8.230 nan 0.000 0.403 204 Q N 3.081 122.754 119.800 -0.210 0.000 2.267 204 Q HA 0.637 4.977 4.340 0.000 0.000 0.255 204 Q C -1.702 173.915 176.000 -0.639 0.000 0.923 204 Q CA -0.199 55.326 55.803 -0.463 0.000 0.925 204 Q CB 1.583 29.923 28.738 -0.664 0.000 1.195 204 Q HN 0.538 nan 8.270 nan 0.000 0.417 205 V N 5.632 125.169 119.914 -0.629 0.000 2.409 205 V HA 0.447 4.567 4.120 0.000 0.000 0.291 205 V C -0.963 174.777 176.094 -0.591 0.000 1.020 205 V CA -0.621 61.363 62.300 -0.526 0.000 0.848 205 V CB 0.818 32.469 31.823 -0.285 0.000 0.990 205 V HN 0.659 nan 8.190 nan 0.000 0.430 206 F N 2.521 122.320 119.950 -0.252 0.000 2.361 206 F HA 0.379 4.906 4.527 0.000 0.000 0.364 206 F C 0.540 176.167 175.800 -0.288 0.000 1.120 206 F CA -1.326 56.520 58.000 -0.257 0.000 1.102 206 F CB 1.049 39.898 39.000 -0.252 0.000 1.183 206 F HN 0.427 nan 8.300 nan 0.000 0.476 207 D N 3.425 123.788 120.400 -0.061 0.000 2.435 207 D HA 0.311 4.951 4.640 0.000 0.000 0.230 207 D C 0.318 176.476 176.300 -0.237 0.000 1.215 207 D CA 0.208 54.118 54.000 -0.150 0.000 0.947 207 D CB 0.764 41.509 40.800 -0.092 0.000 1.048 207 D HN 0.595 nan 8.370 nan 0.000 0.512 208 A N 4.437 126.988 122.820 -0.448 0.000 2.610 208 A HA 0.151 4.471 4.320 0.000 0.000 0.286 208 A C 1.751 179.091 177.584 -0.407 0.000 1.306 208 A CA -0.386 51.233 52.037 -0.696 0.000 0.942 208 A CB -0.001 18.134 19.000 -1.442 0.000 1.112 208 A HN 0.476 nan 8.150 nan 0.000 0.527 209 R N 0.675 121.038 120.500 -0.228 0.000 2.189 209 R HA -0.128 4.212 4.340 0.000 0.000 0.223 209 R C 0.903 177.152 176.300 -0.084 0.000 1.092 209 R CA 1.445 57.474 56.100 -0.119 0.000 0.989 209 R CB -0.080 30.199 30.300 -0.035 0.000 0.876 209 R HN 0.737 nan 8.270 nan 0.000 0.457 210 N N -0.440 118.225 118.700 -0.059 0.000 2.322 210 N HA -0.038 4.702 4.740 0.000 0.000 0.194 210 N C 0.351 175.888 175.510 0.045 0.000 1.126 210 N CA -0.185 52.869 53.050 0.007 0.000 0.845 210 N CB -0.350 38.154 38.487 0.029 0.000 0.976 210 N HN 0.040 nan 8.380 nan 0.000 0.475 211 C N 0.442 119.746 119.300 0.007 0.000 2.705 211 C HA 0.464 4.924 4.460 0.000 0.000 0.382 211 C C 1.563 176.677 174.990 0.207 0.000 1.322 211 C CA 0.584 59.676 59.018 0.123 0.000 2.290 211 C CB 0.165 28.000 27.740 0.159 0.000 2.650 211 C HN 0.694 nan 8.230 nan 0.000 0.695 212 S N -0.249 115.654 115.700 0.338 0.000 2.391 212 S HA 0.170 4.640 4.470 0.000 0.000 0.275 212 S C 0.034 174.812 174.600 0.296 0.000 1.032 212 S CA 0.413 58.853 58.200 0.400 0.000 1.421 212 S CB -0.394 62.940 63.200 0.224 0.000 1.176 212 S HN 1.132 nan 8.310 nan 0.000 0.615 213 T N -0.929 113.779 114.554 0.256 0.000 2.916 213 T HA 0.870 5.220 4.350 0.000 0.000 0.292 213 T C 1.246 176.047 174.700 0.169 0.000 1.055 213 T CA -0.173 62.027 62.100 0.166 0.000 1.009 213 T CB 1.559 70.506 68.868 0.133 0.000 1.118 213 T HN 0.316 nan 8.240 nan 0.000 0.497 214 A N 0.761 123.658 122.820 0.127 0.000 1.877 214 A HA -0.104 4.216 4.320 0.000 0.000 0.216 214 A C 2.309 179.912 177.584 0.032 0.000 1.186 214 A CA 2.192 54.293 52.037 0.107 0.000 0.620 214 A CB -1.306 17.837 19.000 0.238 0.000 0.822 214 A HN 0.921 nan 8.150 nan 0.000 0.443 215 Q N 0.084 120.011 119.800 0.212 0.000 2.152 215 Q HA -0.213 4.127 4.340 0.000 0.000 0.206 215 Q C 1.776 177.849 176.000 0.121 0.000 0.985 215 Q CA 2.350 58.280 55.803 0.212 0.000 0.863 215 Q CB -0.378 28.531 28.738 0.284 0.000 0.904 215 Q HN 0.763 nan 8.270 nan 0.000 0.422 216 E N -0.877 119.404 120.200 0.136 0.000 2.152 216 E HA -0.128 4.222 4.350 0.000 0.000 0.192 216 E C 1.936 178.682 176.600 0.245 0.000 0.983 216 E CA 1.105 57.598 56.400 0.155 0.000 0.818 216 E CB -0.053 29.771 29.700 0.206 0.000 0.758 216 E HN 0.476 nan 8.360 nan 0.000 0.467 217 M N -0.239 119.488 119.600 0.212 0.000 2.099 217 M HA -0.123 4.357 4.480 0.000 0.000 0.262 217 M C 2.118 178.511 176.300 0.155 0.000 1.067 217 M CA 1.120 56.572 55.300 0.253 0.000 1.124 217 M CB -0.245 32.277 32.600 -0.129 0.000 1.353 217 M HN 0.126 nan 8.290 nan 0.000 0.410 218 F N 1.534 121.313 119.950 -0.284 0.000 2.154 218 F HA -0.283 4.244 4.527 0.000 0.000 0.301 218 F C 2.241 177.950 175.800 -0.151 0.000 1.087 218 F CA 1.847 59.611 58.000 -0.395 0.000 1.274 218 F CB -0.350 38.095 39.000 -0.924 0.000 1.009 218 F HN 0.190 nan 8.300 nan 0.000 0.485 219 Q N -1.265 118.416 119.800 -0.198 0.000 2.083 219 Q HA -0.183 4.157 4.340 0.000 0.000 0.198 219 Q C 2.188 178.023 176.000 -0.274 0.000 0.969 219 Q CA 1.416 57.044 55.803 -0.292 0.000 0.838 219 Q CB -0.452 28.167 28.738 -0.199 0.000 0.900 219 Q HN 0.510 nan 8.270 nan 0.000 0.436 220 H N 0.428 119.436 119.070 -0.105 0.000 2.387 220 H HA -0.056 4.500 4.556 0.000 0.000 0.299 220 H C 2.132 177.387 175.328 -0.121 0.000 1.090 220 H CA 1.146 57.118 56.048 -0.127 0.000 1.332 220 H CB 0.031 29.751 29.762 -0.070 0.000 1.386 220 H HN 0.247 nan 8.280 nan 0.000 0.516 221 I N -0.141 120.470 120.570 0.068 0.000 2.226 221 I HA -0.294 3.877 4.170 0.000 0.000 0.245 221 I C 2.669 178.725 176.117 -0.100 0.000 1.100 221 I CA 0.809 62.108 61.300 -0.002 0.000 1.374 221 I CB -0.277 37.712 38.000 -0.018 0.000 1.057 221 I HN 0.225 nan 8.210 nan 0.000 0.413 222 C N 0.340 119.474 119.300 -0.277 0.000 2.429 222 C HA -0.174 4.286 4.460 0.000 0.000 0.277 222 C C 2.987 177.885 174.990 -0.154 0.000 1.262 222 C CA 1.006 59.856 59.018 -0.279 0.000 1.733 222 C CB -1.202 26.260 27.740 -0.464 0.000 2.010 222 C HN 0.478 nan 8.230 nan 0.000 0.483 223 R N -0.055 120.332 120.500 -0.188 0.000 2.096 223 R HA -0.188 4.152 4.340 0.000 0.000 0.235 223 R C 2.102 178.307 176.300 -0.158 0.000 1.127 223 R CA 2.029 58.001 56.100 -0.213 0.000 0.968 223 R CB -0.592 29.497 30.300 -0.351 0.000 0.861 223 R HN 0.783 nan 8.270 nan 0.000 0.440 224 H N 0.044 118.996 119.070 -0.196 0.000 2.276 224 H HA -0.039 4.517 4.556 0.000 0.000 0.301 224 H C 2.091 177.486 175.328 0.113 0.000 1.073 224 H CA 2.289 58.345 56.048 0.014 0.000 1.311 224 H CB -0.059 29.733 29.762 0.049 0.000 1.379 224 H HN 0.154 nan 8.280 nan 0.000 0.494 225 I N 0.103 120.830 120.570 0.262 0.000 2.194 225 I HA -0.275 3.895 4.170 0.000 0.000 0.246 225 I C 2.409 178.597 176.117 0.117 0.000 1.093 225 I CA 1.105 62.502 61.300 0.162 0.000 1.355 225 I CB -0.217 37.803 38.000 0.034 0.000 1.046 225 I HN 0.340 nan 8.210 nan 0.000 0.413 226 L N 0.005 121.270 121.223 0.071 0.000 2.056 226 L HA -0.252 4.088 4.340 0.000 0.000 0.207 226 L C 2.500 179.412 176.870 0.070 0.000 1.078 226 L CA 1.769 56.636 54.840 0.044 0.000 0.749 226 L CB -0.784 41.279 42.059 0.006 0.000 0.901 226 L HN 0.246 nan 8.230 nan 0.000 0.433 227 Y N -0.010 120.302 120.300 0.020 0.000 2.163 227 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 227 Y C 2.347 178.291 175.900 0.074 0.000 1.136 227 Y CA 1.851 59.989 58.100 0.063 0.000 1.147 227 Y CB -0.547 38.010 38.460 0.162 0.000 0.987 227 Y HN 0.217 nan 8.280 nan 0.000 0.509 228 A N -0.421 122.485 122.820 0.145 0.000 1.877 228 A HA -0.181 4.139 4.320 0.000 0.000 0.216 228 A C 2.212 179.802 177.584 0.010 0.000 1.186 228 A CA 2.313 54.398 52.037 0.081 0.000 0.620 228 A CB -1.411 17.733 19.000 0.240 0.000 0.822 228 A HN 0.518 nan 8.150 nan 0.000 0.443 229 T N 0.080 114.659 114.554 0.042 0.000 2.759 229 T HA -0.151 4.199 4.350 0.000 0.000 0.269 229 T C 1.148 175.838 174.700 -0.016 0.000 1.042 229 T CA 1.280 63.402 62.100 0.037 0.000 1.140 229 T CB -0.497 68.397 68.868 0.044 0.000 0.864 229 T HN 0.614 nan 8.240 nan 0.000 0.455 230 N N 1.639 120.293 118.700 -0.077 0.000 2.696 230 N HA -0.260 4.480 4.740 0.000 0.000 0.254 230 N C -0.009 175.465 175.510 -0.059 0.000 0.988 230 N CA 0.915 53.900 53.050 -0.108 0.000 0.775 230 N CB -1.792 36.584 38.487 -0.186 0.000 0.933 230 N HN 0.464 nan 8.380 nan 0.000 0.539 231 N N -1.475 117.205 118.700 -0.034 0.000 2.735 231 N HA -0.204 4.536 4.740 0.000 0.000 0.248 231 N C 0.978 176.472 175.510 -0.026 0.000 1.083 231 N CA 2.344 55.378 53.050 -0.026 0.000 0.703 231 N CB -1.262 37.208 38.487 -0.030 0.000 1.005 231 N HN 1.112 nan 8.380 nan 0.000 0.550 232 G N -0.811 107.981 108.800 -0.012 0.000 2.258 232 G HA2 -0.352 3.609 3.960 0.000 0.000 0.233 232 G HA3 -0.352 3.609 3.960 0.000 0.000 0.233 232 G C 0.128 175.025 174.900 -0.005 0.000 1.006 232 G CA 0.256 45.353 45.100 -0.005 0.000 0.620 232 G HN 0.734 nan 8.290 nan 0.000 0.511 233 N N 2.078 120.759 118.700 -0.031 0.000 3.124 233 N HA 0.316 5.056 4.740 0.000 0.000 0.284 233 N C 0.900 176.389 175.510 -0.037 0.000 1.209 233 N CA -0.603 52.414 53.050 -0.054 0.000 1.149 233 N CB -0.512 37.934 38.487 -0.068 0.000 1.434 233 N HN 0.348 nan 8.380 nan 0.000 0.529 234 I N 1.434 122.018 120.570 0.024 0.000 2.989 234 I HA -0.155 4.015 4.170 0.000 0.000 0.311 234 I C 0.865 177.087 176.117 0.175 0.000 1.221 234 I CA 0.908 62.282 61.300 0.123 0.000 1.449 234 I CB -0.361 37.802 38.000 0.272 0.000 1.325 234 I HN 0.300 nan 8.210 nan 0.000 0.557 235 R N 3.781 124.351 120.500 0.117 0.000 2.534 235 R HA 0.393 4.733 4.340 0.000 0.000 0.301 235 R C -0.445 175.963 176.300 0.180 0.000 0.961 235 R CA -0.658 55.521 56.100 0.132 0.000 0.871 235 R CB 1.947 32.168 30.300 -0.132 0.000 1.170 235 R HN 0.554 nan 8.270 nan 0.000 0.446 236 S N 1.523 117.323 115.700 0.168 0.000 2.505 236 S HA 0.521 4.991 4.470 0.000 0.000 0.276 236 S C -0.438 174.160 174.600 -0.003 0.000 1.274 236 S CA -0.255 57.947 58.200 0.004 0.000 1.053 236 S CB 1.232 64.353 63.200 -0.131 0.000 0.919 236 S HN 0.680 nan 8.310 nan 0.000 0.490 237 A N 3.178 125.964 122.820 -0.057 0.000 2.609 237 A HA 0.861 5.181 4.320 0.000 0.000 0.291 237 A C -1.325 176.212 177.584 -0.080 0.000 1.096 237 A CA -0.663 51.249 52.037 -0.208 0.000 0.684 237 A CB 1.206 19.993 19.000 -0.355 0.000 1.282 237 A HN 0.781 nan 8.150 nan 0.000 0.412 238 I N 0.164 120.654 120.570 -0.132 0.000 2.752 238 I HA 0.573 4.743 4.170 0.000 0.000 0.295 238 I C -1.159 175.013 176.117 0.091 0.000 1.219 238 I CA -0.133 61.248 61.300 0.135 0.000 1.030 238 I CB 2.441 40.449 38.000 0.012 0.000 1.259 238 I HN 0.589 nan 8.210 nan 0.000 0.423 239 T N 6.288 120.965 114.554 0.206 0.000 2.772 239 T HA 0.384 4.734 4.350 0.000 0.000 0.288 239 T C -0.589 173.960 174.700 -0.252 0.000 0.994 239 T CA -0.310 61.786 62.100 -0.007 0.000 0.951 239 T CB 1.244 70.102 68.868 -0.017 0.000 0.933 239 T HN 0.248 nan 8.240 nan 0.000 0.447 240 V N 5.538 125.255 119.914 -0.327 0.000 2.368 240 V HA 0.388 4.508 4.120 0.000 0.000 0.266 240 V C -0.109 175.757 176.094 -0.380 0.000 1.045 240 V CA -0.602 61.511 62.300 -0.312 0.000 0.899 240 V CB -0.384 31.211 31.823 -0.380 0.000 1.006 240 V HN 0.745 nan 8.190 nan 0.000 0.470 241 F N 5.567 125.454 119.950 -0.105 0.000 2.368 241 F HA 0.418 4.945 4.527 0.000 0.000 0.315 241 F C -1.690 174.016 175.800 -0.156 0.000 1.145 241 F CA -2.320 55.541 58.000 -0.232 0.000 1.095 241 F CB 0.511 39.368 39.000 -0.237 0.000 1.286 241 F HN 0.312 nan 8.300 nan 0.000 0.530 242 P HA -0.061 nan 4.420 nan 0.000 0.260 242 P C -1.090 176.266 177.300 0.093 0.000 1.172 242 P CA 0.048 63.080 63.100 -0.114 0.000 0.760 242 P CB 0.166 31.663 31.700 -0.338 0.000 0.773 243 Q N 3.560 123.364 119.800 0.007 0.000 2.474 243 Q HA 0.039 4.379 4.340 0.000 0.000 0.256 243 Q C 0.189 176.129 176.000 -0.100 0.000 1.048 243 Q CA -0.423 55.186 55.803 -0.324 0.000 0.922 243 Q CB 0.697 28.959 28.738 -0.794 0.000 1.288 243 Q HN 0.350 nan 8.270 nan 0.000 0.484 244 R N 1.172 121.595 120.500 -0.128 0.000 2.570 244 R HA 0.003 4.343 4.340 0.000 0.000 0.277 244 R C 0.184 176.462 176.300 -0.037 0.000 1.039 244 R CA 0.732 56.818 56.100 -0.024 0.000 1.065 244 R CB 0.566 30.843 30.300 -0.039 0.000 0.964 244 R HN 0.946 nan 8.270 nan 0.000 0.428 245 S N 2.546 118.257 115.700 0.019 0.000 2.650 245 S HA -0.050 4.420 4.470 0.000 0.000 0.182 245 S C 1.011 175.603 174.600 -0.014 0.000 0.832 245 S CA 0.324 58.535 58.200 0.019 0.000 0.860 245 S CB -0.156 63.096 63.200 0.087 0.000 0.818 245 S HN 0.828 nan 8.310 nan 0.000 0.600 246 D N 0.081 120.452 120.400 -0.048 0.000 2.355 246 D HA 0.285 4.925 4.640 0.000 0.000 0.206 246 D C 1.512 177.745 176.300 -0.111 0.000 1.010 246 D CA 1.073 55.017 54.000 -0.092 0.000 0.875 246 D CB -0.190 40.522 40.800 -0.147 0.000 0.966 246 D HN 0.875 nan 8.370 nan 0.000 0.512 247 G N 0.709 109.440 108.800 -0.115 0.000 2.218 247 G HA2 -0.272 3.688 3.960 0.000 0.000 0.216 247 G HA3 -0.272 3.688 3.960 0.000 0.000 0.216 247 G C 1.046 175.874 174.900 -0.120 0.000 0.994 247 G CA 0.217 45.263 45.100 -0.091 0.000 0.637 247 G HN 0.415 nan 8.290 nan 0.000 0.505 248 K N 0.070 120.320 120.400 -0.249 0.000 2.367 248 K HA 0.238 4.558 4.320 0.000 0.000 0.194 248 K C 0.430 176.927 176.600 -0.171 0.000 1.027 248 K CA 0.293 56.425 56.287 -0.259 0.000 1.075 248 K CB 0.227 32.513 32.500 -0.357 0.000 0.845 248 K HN 0.435 nan 8.250 nan 0.000 0.529 249 H N 0.879 119.935 119.070 -0.023 0.000 2.534 249 H HA 0.241 4.797 4.556 0.000 0.000 0.250 249 H C -0.893 174.403 175.328 -0.053 0.000 1.256 249 H CA -0.939 55.078 56.048 -0.052 0.000 1.000 249 H CB -0.274 29.476 29.762 -0.020 0.000 1.801 249 H HN 0.008 nan 8.280 nan 0.000 0.569 250 D N 0.492 120.923 120.400 0.052 0.000 2.350 250 D HA 0.091 4.731 4.640 0.000 0.000 0.249 250 D C 0.068 176.372 176.300 0.007 0.000 1.119 250 D CA 0.017 54.063 54.000 0.077 0.000 0.886 250 D CB 0.777 41.620 40.800 0.072 0.000 1.195 250 D HN 0.068 nan 8.370 nan 0.000 0.437 251 F N 2.758 122.746 119.950 0.065 0.000 2.411 251 F HA 0.340 4.867 4.527 0.000 0.000 0.355 251 F C 0.957 176.768 175.800 0.020 0.000 1.117 251 F CA -0.174 57.832 58.000 0.009 0.000 1.139 251 F CB 0.708 39.707 39.000 -0.002 0.000 1.120 251 F HN -0.146 nan 8.300 nan 0.000 0.493 252 R N 3.862 124.453 120.500 0.152 0.000 2.604 252 R HA 0.491 4.831 4.340 0.000 0.000 0.281 252 R C -1.725 174.717 176.300 0.238 0.000 1.020 252 R CA -1.141 55.073 56.100 0.190 0.000 0.899 252 R CB 2.141 32.572 30.300 0.219 0.000 1.205 252 R HN 0.485 nan 8.270 nan 0.000 0.450 253 L N 1.841 123.190 121.223 0.209 0.000 2.282 253 L HA 0.369 4.709 4.340 0.000 0.000 0.288 253 L C 0.630 177.749 176.870 0.415 0.000 1.033 253 L CA -0.134 54.843 54.840 0.228 0.000 0.807 253 L CB 0.788 42.899 42.059 0.086 0.000 1.209 253 L HN 0.571 nan 8.230 nan 0.000 0.423 254 W N 0.657 122.044 121.300 0.146 0.000 2.800 254 W HA 0.064 4.724 4.660 0.000 0.000 0.249 254 W C 0.525 177.236 176.519 0.321 0.000 1.294 254 W CA -0.573 56.973 57.345 0.336 0.000 1.402 254 W CB -1.041 28.677 29.460 0.431 0.000 1.126 254 W HN 0.490 nan 8.180 nan 0.000 0.652 255 N N -0.334 118.508 118.700 0.237 0.000 2.467 255 N HA 0.086 4.826 4.740 0.000 0.000 0.262 255 N C 1.300 176.678 175.510 -0.220 0.000 1.234 255 N CA 0.627 53.507 53.050 -0.283 0.000 0.952 255 N CB 0.719 39.084 38.487 -0.203 0.000 1.158 255 N HN -0.177 nan 8.380 nan 0.000 0.463 256 S N 0.080 115.581 115.700 -0.332 0.000 2.388 256 S HA 0.016 4.486 4.470 0.000 0.000 0.223 256 S C 0.228 174.716 174.600 -0.187 0.000 1.034 256 S CA 0.501 58.588 58.200 -0.188 0.000 0.963 256 S CB -0.088 63.022 63.200 -0.150 0.000 0.827 256 S HN 0.643 nan 8.310 nan 0.000 0.481 257 Q N -0.417 119.253 119.800 -0.217 0.000 2.451 257 Q HA 0.559 4.899 4.340 0.000 0.000 0.281 257 Q C 0.341 176.191 176.000 -0.249 0.000 1.099 257 Q CA -0.570 55.103 55.803 -0.216 0.000 0.806 257 Q CB 2.011 30.660 28.738 -0.148 0.000 1.419 257 Q HN 0.076 nan 8.270 nan 0.000 0.427 258 L N 0.383 121.456 121.223 -0.250 0.000 1.970 258 L HA -0.060 4.280 4.340 0.000 0.000 0.212 258 L C 0.679 177.380 176.870 -0.282 0.000 1.071 258 L CA 1.120 55.824 54.840 -0.225 0.000 0.751 258 L CB -0.089 41.844 42.059 -0.210 0.000 0.889 258 L HN 0.533 nan 8.230 nan 0.000 0.432 259 I N 0.365 120.683 120.570 -0.420 0.000 2.331 259 I HA 0.347 4.517 4.170 0.000 0.000 0.292 259 I C -0.086 175.387 176.117 -1.075 0.000 0.998 259 I CA 0.032 60.917 61.300 -0.691 0.000 1.267 259 I CB 1.057 38.565 38.000 -0.821 0.000 1.386 259 I HN 0.184 nan 8.210 nan 0.000 0.476 260 R N 4.775 124.787 120.500 -0.813 0.000 2.561 260 R HA 0.437 4.777 4.340 0.000 0.000 0.266 260 R C -1.767 174.350 176.300 -0.305 0.000 1.091 260 R CA -0.581 55.174 56.100 -0.574 0.000 0.927 260 R CB 1.185 31.311 30.300 -0.291 0.000 1.240 260 R HN 0.269 nan 8.270 nan 0.000 0.449 261 Y N 1.598 121.910 120.300 0.021 0.000 2.304 261 Y HA 0.568 5.118 4.550 0.000 0.000 0.327 261 Y C 0.909 176.830 175.900 0.035 0.000 1.209 261 Y CA -0.189 57.966 58.100 0.092 0.000 1.299 261 Y CB 1.195 39.810 38.460 0.259 0.000 1.249 261 Y HN 0.737 nan 8.280 nan 0.000 0.519 262 A N 1.210 124.126 122.820 0.159 0.000 2.332 262 A HA 0.663 4.983 4.320 0.000 0.000 0.258 262 A C 0.414 177.794 177.584 -0.339 0.000 1.087 262 A CA 0.121 52.067 52.037 -0.152 0.000 0.802 262 A CB -0.057 18.796 19.000 -0.246 0.000 1.042 262 A HN 0.916 nan 8.150 nan 0.000 0.489 263 G N 0.343 108.873 108.800 -0.450 0.000 2.675 263 G HA2 0.560 4.520 3.960 0.000 0.000 0.297 263 G HA3 0.560 4.520 3.960 0.000 0.000 0.297 263 G C -1.124 173.541 174.900 -0.392 0.000 1.399 263 G CA -0.247 44.642 45.100 -0.352 0.000 0.981 263 G HN 0.531 nan 8.290 nan 0.000 0.519 264 Y N 0.731 121.049 120.300 0.031 0.000 2.387 264 Y HA 0.447 4.997 4.550 0.000 0.000 0.336 264 Y C 0.516 176.463 175.900 0.078 0.000 1.067 264 Y CA -1.146 56.984 58.100 0.051 0.000 1.114 264 Y CB 2.294 40.787 38.460 0.055 0.000 1.208 264 Y HN 0.444 nan 8.280 nan 0.000 0.458 265 Q N 3.523 123.471 119.800 0.248 0.000 2.472 265 Q HA 0.227 4.567 4.340 0.000 0.000 0.227 265 Q C -0.781 175.326 176.000 0.178 0.000 1.156 265 Q CA -0.307 55.594 55.803 0.163 0.000 0.924 265 Q CB 0.134 28.944 28.738 0.120 0.000 1.354 265 Q HN 0.519 nan 8.270 nan 0.000 0.525 266 M N 4.744 124.437 119.600 0.155 0.000 2.245 266 M HA 0.053 4.533 4.480 0.000 0.000 0.312 266 M C -1.396 174.937 176.300 0.055 0.000 1.070 266 M CA -1.783 53.583 55.300 0.109 0.000 1.162 266 M CB -0.471 32.177 32.600 0.081 0.000 1.448 266 M HN 0.398 nan 8.290 nan 0.000 0.446 267 P HA -0.148 nan 4.420 nan 0.000 0.215 267 P C 0.073 177.374 177.300 0.002 0.000 1.157 267 P CA 1.354 64.449 63.100 -0.007 0.000 0.868 267 P CB -0.049 31.626 31.700 -0.042 0.000 0.788 268 D N -1.211 119.191 120.400 0.003 0.000 2.856 268 D HA 0.095 4.735 4.640 0.000 0.000 0.242 268 D C 1.395 177.704 176.300 0.015 0.000 1.226 268 D CA 0.467 54.471 54.000 0.005 0.000 0.855 268 D CB -1.013 39.787 40.800 0.000 0.000 1.065 268 D HN 0.236 nan 8.370 nan 0.000 0.462 269 G N 1.343 110.156 108.800 0.022 0.000 2.494 269 G HA2 -0.388 3.572 3.960 0.000 0.000 0.252 269 G HA3 -0.388 3.572 3.960 0.000 0.000 0.252 269 G C 0.758 175.677 174.900 0.032 0.000 1.025 269 G CA 1.122 46.238 45.100 0.027 0.000 0.638 269 G HN 0.732 nan 8.290 nan 0.000 0.544 270 T N 0.509 115.081 114.554 0.031 0.000 2.918 270 T HA 0.606 4.956 4.350 0.000 0.000 0.302 270 T C 0.646 175.371 174.700 0.043 0.000 1.045 270 T CA -0.507 61.612 62.100 0.032 0.000 1.114 270 T CB 1.596 70.479 68.868 0.026 0.000 0.965 270 T HN 0.383 nan 8.240 nan 0.000 0.540 271 I N 1.626 122.216 120.570 0.034 0.000 2.677 271 I HA 0.510 4.680 4.170 0.000 0.000 0.305 271 I C 0.642 176.772 176.117 0.022 0.000 0.988 271 I CA -0.683 60.637 61.300 0.034 0.000 1.260 271 I CB 1.219 39.224 38.000 0.008 0.000 1.410 271 I HN 0.815 nan 8.210 nan 0.000 0.523 272 R N 1.546 122.069 120.500 0.039 0.000 2.564 272 R HA 0.565 4.905 4.340 0.000 0.000 0.284 272 R C -0.072 176.207 176.300 -0.034 0.000 1.031 272 R CA 0.245 56.363 56.100 0.029 0.000 0.904 272 R CB 1.718 32.099 30.300 0.137 0.000 1.199 272 R HN 0.960 nan 8.270 nan 0.000 0.443 273 G N 2.668 111.356 108.800 -0.186 0.000 2.481 273 G HA2 -0.251 3.709 3.960 0.000 0.000 0.230 273 G HA3 -0.251 3.709 3.960 0.000 0.000 0.230 273 G C -1.206 173.335 174.900 -0.599 0.000 1.210 273 G CA -0.012 44.913 45.100 -0.292 0.000 0.936 273 G HN 0.611 nan 8.290 nan 0.000 0.583 274 D N 1.880 122.121 120.400 -0.266 0.000 2.422 274 D HA 0.595 5.235 4.640 0.000 0.000 0.227 274 D C 1.532 177.792 176.300 -0.067 0.000 1.190 274 D CA 0.819 54.746 54.000 -0.122 0.000 0.905 274 D CB 0.671 41.690 40.800 0.366 0.000 1.034 274 D HN 0.920 nan 8.370 nan 0.000 0.507 275 A N 3.651 126.408 122.820 -0.105 0.000 2.084 275 A HA -0.141 4.179 4.320 0.000 0.000 0.221 275 A C 2.049 179.651 177.584 0.031 0.000 1.161 275 A CA 1.784 53.803 52.037 -0.030 0.000 0.653 275 A CB -0.200 18.788 19.000 -0.021 0.000 0.802 275 A HN 0.592 nan 8.150 nan 0.000 0.457 276 A N -0.423 122.441 122.820 0.072 0.000 2.014 276 A HA 0.002 4.322 4.320 0.000 0.000 0.218 276 A C 2.094 179.732 177.584 0.091 0.000 1.163 276 A CA 1.905 54.000 52.037 0.097 0.000 0.652 276 A CB -0.929 18.152 19.000 0.136 0.000 0.808 276 A HN 0.780 nan 8.150 nan 0.000 0.449 277 T N -2.356 112.246 114.554 0.080 0.000 3.235 277 T HA 0.352 4.702 4.350 0.000 0.000 0.251 277 T C 1.404 176.139 174.700 0.058 0.000 1.060 277 T CA 0.026 62.170 62.100 0.074 0.000 0.949 277 T CB -0.378 68.526 68.868 0.060 0.000 1.020 277 T HN 0.263 nan 8.240 nan 0.000 0.564 278 L N 0.766 122.012 121.223 0.040 0.000 1.963 278 L HA -0.175 4.165 4.340 0.000 0.000 0.220 278 L C 2.958 179.846 176.870 0.030 0.000 1.076 278 L CA 2.293 57.147 54.840 0.025 0.000 0.772 278 L CB -0.483 41.599 42.059 0.038 0.000 0.892 278 L HN 0.413 nan 8.230 nan 0.000 0.435 279 E N -0.437 119.795 120.200 0.053 0.000 2.058 279 E HA -0.290 4.060 4.350 0.000 0.000 0.194 279 E C 2.148 178.699 176.600 -0.083 0.000 0.997 279 E CA 1.561 57.972 56.400 0.019 0.000 0.801 279 E CB -0.180 29.578 29.700 0.096 0.000 0.746 279 E HN 0.374 nan 8.360 nan 0.000 0.450 280 F N 1.103 120.925 119.950 -0.213 0.000 2.171 280 F HA -0.162 4.365 4.527 0.000 0.000 0.300 280 F C 2.262 177.918 175.800 -0.239 0.000 1.090 280 F CA 1.749 59.546 58.000 -0.338 0.000 1.293 280 F CB -0.347 38.511 39.000 -0.236 0.000 1.013 280 F HN -0.017 nan 8.300 nan 0.000 0.486 281 T N -0.138 114.397 114.554 -0.030 0.000 2.746 281 T HA -0.269 4.082 4.350 0.000 0.000 0.267 281 T C 1.742 176.380 174.700 -0.104 0.000 1.039 281 T CA 1.636 63.677 62.100 -0.098 0.000 1.142 281 T CB -0.349 68.468 68.868 -0.084 0.000 0.866 281 T HN 0.227 nan 8.240 nan 0.000 0.444 282 Q N 0.822 120.570 119.800 -0.086 0.000 2.061 282 Q HA -0.064 4.276 4.340 0.000 0.000 0.204 282 Q C 2.151 178.068 176.000 -0.138 0.000 0.984 282 Q CA 1.422 57.190 55.803 -0.058 0.000 0.846 282 Q CB -0.897 27.814 28.738 -0.044 0.000 0.902 282 Q HN 0.479 nan 8.270 nan 0.000 0.421 283 L N -0.458 120.591 121.223 -0.291 0.000 2.013 283 L HA -0.266 4.074 4.340 0.000 0.000 0.212 283 L C 2.329 179.010 176.870 -0.315 0.000 1.073 283 L CA 2.054 56.685 54.840 -0.348 0.000 0.753 283 L CB -0.770 40.935 42.059 -0.591 0.000 0.890 283 L HN 0.392 nan 8.230 nan 0.000 0.432 284 C N -0.465 118.566 119.300 -0.448 0.000 2.413 284 C HA -0.190 4.270 4.460 0.000 0.000 0.277 284 C C 2.661 177.661 174.990 0.017 0.000 1.265 284 C CA 1.063 59.892 59.018 -0.315 0.000 1.752 284 C CB -1.005 26.430 27.740 -0.509 0.000 1.998 284 C HN 0.591 nan 8.230 nan 0.000 0.489 285 I N 0.827 121.448 120.570 0.084 0.000 2.202 285 I HA -0.174 3.996 4.170 0.000 0.000 0.242 285 I C 2.088 178.224 176.117 0.032 0.000 1.091 285 I CA 1.527 62.909 61.300 0.137 0.000 1.368 285 I CB -0.660 37.413 38.000 0.122 0.000 1.058 285 I HN 0.315 nan 8.210 nan 0.000 0.410 286 D N 1.030 121.412 120.400 -0.030 0.000 2.271 286 D HA -0.138 4.502 4.640 0.000 0.000 0.207 286 D C 1.783 178.038 176.300 -0.076 0.000 0.983 286 D CA 1.250 55.211 54.000 -0.066 0.000 0.878 286 D CB -0.127 40.612 40.800 -0.102 0.000 0.920 286 D HN 0.380 nan 8.370 nan 0.000 0.479 287 L N -0.593 120.594 121.223 -0.060 0.000 2.685 287 L HA 0.270 4.610 4.340 0.000 0.000 0.233 287 L C 1.271 178.125 176.870 -0.025 0.000 1.173 287 L CA 0.032 54.837 54.840 -0.058 0.000 0.961 287 L CB -0.028 41.983 42.059 -0.080 0.000 1.217 287 L HN 0.017 nan 8.230 nan 0.000 0.478 288 G N -0.612 108.187 108.800 -0.001 0.000 2.136 288 G HA2 -0.309 3.651 3.960 0.000 0.000 0.242 288 G HA3 -0.309 3.651 3.960 0.000 0.000 0.242 288 G C -0.168 174.765 174.900 0.056 0.000 0.989 288 G CA -0.203 44.900 45.100 0.004 0.000 0.682 288 G HN 0.425 nan 8.290 nan 0.000 0.522 289 W N 1.629 122.877 121.300 -0.087 0.000 2.218 289 W HA 0.644 5.304 4.660 0.000 0.000 0.326 289 W C 0.203 176.697 176.519 -0.043 0.000 1.276 289 W CA -0.931 56.372 57.345 -0.069 0.000 1.210 289 W CB 0.717 30.134 29.460 -0.071 0.000 1.143 289 W HN -0.077 nan 8.180 nan 0.000 0.563 290 K N 7.746 127.647 120.400 -0.832 0.000 2.250 290 K HA 0.181 4.501 4.320 0.000 0.000 0.285 290 K C -2.336 173.482 176.600 -1.304 0.000 1.097 290 K CA -1.933 53.881 56.287 -0.787 0.000 0.913 290 K CB 0.114 32.320 32.500 -0.490 0.000 1.179 290 K HN 0.298 nan 8.250 nan 0.000 0.462 291 P HA 0.197 nan 4.420 nan 0.000 0.275 291 P C -0.135 176.748 177.300 -0.695 0.000 1.276 291 P CA -0.193 62.331 63.100 -0.961 0.000 0.782 291 P CB 0.551 31.795 31.700 -0.760 0.000 0.851 292 R N 2.211 122.378 120.500 -0.554 0.000 2.320 292 R HA 0.074 4.414 4.340 0.000 0.000 0.211 292 R C 0.012 176.199 176.300 -0.189 0.000 0.931 292 R CA -0.261 55.700 56.100 -0.232 0.000 1.071 292 R CB -0.763 29.487 30.300 -0.083 0.000 1.025 292 R HN 0.446 nan 8.270 nan 0.000 0.495 293 Y N -0.130 119.736 120.300 -0.723 0.000 2.995 293 Y HA -0.299 4.251 4.550 0.000 0.000 0.201 293 Y C 0.803 176.569 175.900 -0.224 0.000 1.337 293 Y CA 0.523 58.120 58.100 -0.840 0.000 0.814 293 Y CB -1.413 36.714 38.460 -0.556 0.000 1.271 293 Y HN 0.263 nan 8.280 nan 0.000 0.390 294 G N 0.261 109.157 108.800 0.159 0.000 2.694 294 G HA2 0.568 4.528 3.960 0.000 0.000 0.290 294 G HA3 0.568 4.528 3.960 0.000 0.000 0.290 294 G C 0.105 175.100 174.900 0.158 0.000 1.386 294 G CA -1.147 44.051 45.100 0.162 0.000 0.872 294 G HN 0.217 nan 8.290 nan 0.000 0.475 295 R N -1.047 119.416 120.500 -0.062 0.000 2.115 295 R HA 0.085 4.425 4.340 0.000 0.000 0.230 295 R C 0.156 176.044 176.300 -0.687 0.000 1.111 295 R CA 1.310 57.171 56.100 -0.398 0.000 0.976 295 R CB -0.129 29.781 30.300 -0.650 0.000 0.870 295 R HN 0.342 nan 8.270 nan 0.000 0.445 296 F N 0.579 120.509 119.950 -0.032 0.000 2.577 296 F HA 0.260 4.787 4.527 0.000 0.000 0.342 296 F C -0.915 174.866 175.800 -0.032 0.000 1.479 296 F CA -1.363 56.397 58.000 -0.399 0.000 1.110 296 F CB 0.545 39.105 39.000 -0.733 0.000 1.306 296 F HN -0.272 nan 8.300 nan 0.000 0.554 297 D N 1.674 122.256 120.400 0.302 0.000 2.339 297 D HA 0.191 4.831 4.640 0.000 0.000 0.241 297 D C 0.223 176.797 176.300 0.456 0.000 1.183 297 D CA 0.033 54.280 54.000 0.412 0.000 0.859 297 D CB 2.212 43.326 40.800 0.524 0.000 1.067 297 D HN -0.039 nan 8.370 nan 0.000 0.484 298 V N 3.918 124.083 119.914 0.419 0.000 2.493 298 V HA -0.045 4.075 4.120 0.000 0.000 0.292 298 V C 1.116 177.293 176.094 0.138 0.000 1.016 298 V CA -0.170 62.282 62.300 0.254 0.000 1.097 298 V CB -0.045 31.875 31.823 0.162 0.000 0.947 298 V HN 0.342 nan 8.190 nan 0.000 0.479 299 L N 8.380 129.571 121.223 -0.052 0.000 2.467 299 L HA 0.279 4.619 4.340 0.000 0.000 0.270 299 L C -1.696 175.013 176.870 -0.269 0.000 1.205 299 L CA -1.212 53.441 54.840 -0.312 0.000 0.828 299 L CB 0.531 42.478 42.059 -0.186 0.000 1.101 299 L HN 0.479 nan 8.230 nan 0.000 0.479 300 P HA 0.194 nan 4.420 nan 0.000 0.284 300 P C -0.979 176.285 177.300 -0.060 0.000 1.258 300 P CA -0.584 62.373 63.100 -0.238 0.000 0.824 300 P CB 1.085 32.517 31.700 -0.446 0.000 1.038 301 L N 2.043 123.308 121.223 0.070 0.000 2.418 301 L HA 0.161 4.501 4.340 0.000 0.000 0.274 301 L C 0.293 177.247 176.870 0.140 0.000 1.135 301 L CA -0.484 54.434 54.840 0.129 0.000 0.870 301 L CB 0.671 42.846 42.059 0.194 0.000 1.154 301 L HN 0.121 nan 8.230 nan 0.000 0.462 302 V N 6.324 126.324 119.914 0.142 0.000 2.277 302 V HA 0.294 4.414 4.120 0.000 0.000 0.269 302 V C 0.305 176.375 176.094 -0.041 0.000 1.036 302 V CA -0.314 61.997 62.300 0.018 0.000 0.821 302 V CB 0.751 32.587 31.823 0.022 0.000 1.052 302 V HN 0.499 nan 8.190 nan 0.000 0.462 303 L N 4.171 125.373 121.223 -0.035 0.000 2.343 303 L HA 0.674 5.014 4.340 0.000 0.000 0.275 303 L C -0.087 176.667 176.870 -0.194 0.000 1.056 303 L CA -0.437 54.355 54.840 -0.079 0.000 0.804 303 L CB 1.460 43.474 42.059 -0.075 0.000 1.203 303 L HN 0.575 nan 8.230 nan 0.000 0.440 304 Q N 2.167 121.873 119.800 -0.158 0.000 2.292 304 Q HA 0.716 5.056 4.340 0.000 0.000 0.270 304 Q C -1.749 174.142 176.000 -0.181 0.000 1.024 304 Q CA -0.593 55.102 55.803 -0.180 0.000 0.768 304 Q CB 2.254 30.961 28.738 -0.052 0.000 1.250 304 Q HN 0.805 nan 8.270 nan 0.000 0.447 305 A N 3.452 126.108 122.820 -0.273 0.000 2.365 305 A HA 0.491 4.811 4.320 0.000 0.000 0.318 305 A C -0.275 176.847 177.584 -0.770 0.000 1.091 305 A CA -0.114 51.555 52.037 -0.614 0.000 0.763 305 A CB 1.214 20.078 19.000 -0.228 0.000 1.248 305 A HN 1.019 nan 8.150 nan 0.000 0.442 306 D N 1.062 120.571 120.400 -1.485 0.000 2.702 306 D HA -0.118 4.522 4.640 0.000 0.000 0.233 306 D C 1.243 177.382 176.300 -0.268 0.000 1.164 306 D CA 2.726 56.298 54.000 -0.713 0.000 0.638 306 D CB -1.083 39.474 40.800 -0.405 0.000 1.041 306 D HN 2.140 nan 8.370 nan 0.000 0.422 307 G N -1.052 107.631 108.800 -0.194 0.000 2.189 307 G HA2 -0.414 3.546 3.960 0.000 0.000 0.267 307 G HA3 -0.414 3.546 3.960 0.000 0.000 0.267 307 G C 0.444 175.354 174.900 0.018 0.000 0.975 307 G CA 0.884 45.986 45.100 0.003 0.000 0.644 307 G HN 0.626 nan 8.290 nan 0.000 0.537 308 Q N 0.698 120.457 119.800 -0.069 0.000 2.407 308 Q HA 0.493 4.833 4.340 0.000 0.000 0.214 308 Q C 0.413 176.385 176.000 -0.045 0.000 1.043 308 Q CA -0.216 55.562 55.803 -0.043 0.000 0.983 308 Q CB 0.354 29.043 28.738 -0.081 0.000 1.211 308 Q HN 0.324 nan 8.270 nan 0.000 0.564 309 D N 1.634 121.997 120.400 -0.062 0.000 2.399 309 D HA 0.098 4.738 4.640 0.000 0.000 0.241 309 D C -2.180 173.913 176.300 -0.345 0.000 1.133 309 D CA -0.961 52.907 54.000 -0.222 0.000 0.890 309 D CB 0.169 40.939 40.800 -0.051 0.000 1.201 309 D HN 0.266 nan 8.370 nan 0.000 0.432 310 P HA 0.117 nan 4.420 nan 0.000 0.276 310 P C -0.787 176.305 177.300 -0.347 0.000 1.230 310 P CA -0.114 62.592 63.100 -0.656 0.000 0.776 310 P CB 0.893 31.765 31.700 -1.380 0.000 0.888 311 E N 1.181 121.269 120.200 -0.187 0.000 2.183 311 E HA 0.382 4.732 4.350 0.000 0.000 0.271 311 E C -0.588 175.934 176.600 -0.130 0.000 0.919 311 E CA -1.177 55.132 56.400 -0.151 0.000 0.781 311 E CB 1.887 31.538 29.700 -0.081 0.000 1.140 311 E HN 0.183 nan 8.360 nan 0.000 0.402 312 V N 3.585 123.308 119.914 -0.319 0.000 2.465 312 V HA 0.389 4.509 4.120 0.000 0.000 0.279 312 V C -0.589 175.212 176.094 -0.488 0.000 1.045 312 V CA -0.344 61.819 62.300 -0.229 0.000 0.938 312 V CB 0.012 31.735 31.823 -0.167 0.000 0.986 312 V HN 0.521 nan 8.190 nan 0.000 0.467 313 F N 1.504 121.307 119.950 -0.246 0.000 2.561 313 F HA 0.457 4.984 4.527 0.000 0.000 0.313 313 F C 0.334 176.007 175.800 -0.211 0.000 1.126 313 F CA -0.755 56.980 58.000 -0.442 0.000 0.918 313 F CB 1.760 40.111 39.000 -1.081 0.000 1.199 313 F HN 0.393 nan 8.300 nan 0.000 0.444 314 E N 3.605 123.837 120.200 0.053 0.000 2.259 314 E HA 0.350 4.700 4.350 0.000 0.000 0.281 314 E C -0.412 176.364 176.600 0.294 0.000 1.027 314 E CA -0.510 56.001 56.400 0.185 0.000 0.838 314 E CB 1.520 31.349 29.700 0.215 0.000 1.066 314 E HN 0.476 nan 8.360 nan 0.000 0.401 315 I N 5.084 125.824 120.570 0.282 0.000 2.598 315 I HA 0.043 4.213 4.170 0.000 0.000 0.284 315 I C -2.019 174.227 176.117 0.216 0.000 1.140 315 I CA -1.766 59.702 61.300 0.280 0.000 1.420 315 I CB -0.081 38.005 38.000 0.142 0.000 1.387 315 I HN 0.170 nan 8.210 nan 0.000 0.553 316 P HA 0.063 nan 4.420 nan 0.000 0.261 316 P C -1.982 175.380 177.300 0.103 0.000 1.203 316 P CA -0.823 62.367 63.100 0.149 0.000 0.767 316 P CB 0.193 31.964 31.700 0.118 0.000 0.785 317 P HA -0.228 nan 4.420 nan 0.000 0.217 317 P C 0.419 177.759 177.300 0.066 0.000 1.148 317 P CA 1.472 64.626 63.100 0.090 0.000 0.834 317 P CB -0.061 31.694 31.700 0.092 0.000 0.783 318 D N -1.438 118.996 120.400 0.057 0.000 2.310 318 D HA -0.087 4.553 4.640 0.000 0.000 0.212 318 D C 1.717 178.036 176.300 0.031 0.000 0.965 318 D CA 0.770 54.794 54.000 0.040 0.000 0.879 318 D CB -0.608 40.213 40.800 0.034 0.000 0.921 318 D HN 0.221 nan 8.370 nan 0.000 0.510 319 L N 0.035 121.279 121.223 0.033 0.000 2.249 319 L HA 0.067 4.407 4.340 0.000 0.000 0.207 319 L C 0.436 177.321 176.870 0.025 0.000 1.090 319 L CA 0.214 55.067 54.840 0.021 0.000 0.802 319 L CB 0.209 42.273 42.059 0.008 0.000 0.947 319 L HN -0.105 nan 8.230 nan 0.000 0.453 320 V N 2.787 122.722 119.914 0.034 0.000 2.352 320 V HA 0.035 4.155 4.120 0.000 0.000 0.253 320 V C 0.115 176.237 176.094 0.046 0.000 1.083 320 V CA -0.316 62.004 62.300 0.032 0.000 0.993 320 V CB 0.399 32.242 31.823 0.035 0.000 1.111 320 V HN 0.071 nan 8.190 nan 0.000 0.490 321 L N 6.069 127.320 121.223 0.046 0.000 2.319 321 L HA 0.464 4.804 4.340 0.000 0.000 0.280 321 L C 0.139 177.035 176.870 0.042 0.000 1.099 321 L CA 0.598 55.459 54.840 0.034 0.000 0.828 321 L CB 0.468 42.543 42.059 0.026 0.000 1.150 321 L HN 0.662 nan 8.230 nan 0.000 0.442 322 E N 3.315 123.519 120.200 0.008 0.000 2.359 322 E HA 0.642 4.992 4.350 0.000 0.000 0.266 322 E C -1.450 175.078 176.600 -0.119 0.000 0.920 322 E CA -1.095 55.298 56.400 -0.011 0.000 0.788 322 E CB 2.445 32.168 29.700 0.037 0.000 1.279 322 E HN 0.393 nan 8.360 nan 0.000 0.438 323 V N 1.466 121.269 119.914 -0.184 0.000 2.540 323 V HA 0.291 4.411 4.120 0.000 0.000 0.302 323 V C -0.385 175.631 176.094 -0.129 0.000 1.035 323 V CA -0.781 61.347 62.300 -0.287 0.000 0.873 323 V CB 1.876 33.255 31.823 -0.740 0.000 0.992 323 V HN 0.733 nan 8.190 nan 0.000 0.428 324 T N 5.462 119.961 114.554 -0.092 0.000 2.817 324 T HA 0.446 4.796 4.350 0.000 0.000 0.293 324 T C -0.009 174.712 174.700 0.035 0.000 0.964 324 T CA -0.657 61.429 62.100 -0.023 0.000 1.085 324 T CB 0.695 69.556 68.868 -0.011 0.000 0.921 324 T HN 0.337 nan 8.240 nan 0.000 0.502 325 M N 3.519 123.189 119.600 0.116 0.000 2.146 325 M HA 0.329 4.809 4.480 0.000 0.000 0.352 325 M C 0.299 176.785 176.300 0.310 0.000 1.343 325 M CA 0.044 55.490 55.300 0.244 0.000 1.115 325 M CB -0.387 32.457 32.600 0.407 0.000 1.657 325 M HN 0.668 nan 8.290 nan 0.000 0.471 326 E N 1.369 121.684 120.200 0.192 0.000 2.272 326 E HA 0.302 4.652 4.350 0.000 0.000 0.269 326 E C -1.053 175.545 176.600 -0.002 0.000 0.877 326 E CA -0.677 55.828 56.400 0.175 0.000 0.755 326 E CB 2.412 32.197 29.700 0.142 0.000 1.192 326 E HN 0.471 nan 8.360 nan 0.000 0.422 327 H N 4.322 123.229 119.070 -0.271 0.000 2.473 327 H HA 0.197 4.753 4.556 0.000 0.000 0.327 327 H C -1.798 173.246 175.328 -0.473 0.000 1.105 327 H CA -2.360 53.345 56.048 -0.572 0.000 1.280 327 H CB 1.548 30.820 29.762 -0.816 0.000 1.450 327 H HN 0.342 nan 8.280 nan 0.000 0.492 328 P HA -0.076 nan 4.420 nan 0.000 0.236 328 P C 0.350 177.546 177.300 -0.173 0.000 1.172 328 P CA 0.904 63.657 63.100 -0.578 0.000 0.759 328 P CB 0.717 31.871 31.700 -0.909 0.000 0.843 329 K N -1.478 118.906 120.400 -0.028 0.000 2.703 329 K HA 0.128 4.448 4.320 0.000 0.000 0.196 329 K C 0.804 177.374 176.600 -0.049 0.000 1.457 329 K CA 0.266 56.499 56.287 -0.090 0.000 1.115 329 K CB 0.021 32.441 32.500 -0.134 0.000 1.661 329 K HN 0.247 nan 8.250 nan 0.000 0.552 330 Y N 3.309 123.285 120.300 -0.539 0.000 2.613 330 Y HA 0.131 4.681 4.550 0.000 0.000 0.354 330 Y C 1.169 176.730 175.900 -0.566 0.000 1.063 330 Y CA -0.452 57.176 58.100 -0.787 0.000 1.384 330 Y CB 0.248 37.760 38.460 -1.581 0.000 1.199 330 Y HN 0.070 nan 8.280 nan 0.000 0.517 331 E N 3.515 123.660 120.200 -0.091 0.000 2.333 331 E HA -0.178 4.172 4.350 0.000 0.000 0.198 331 E C 1.389 178.044 176.600 0.092 0.000 1.007 331 E CA 0.841 57.257 56.400 0.026 0.000 0.845 331 E CB -0.012 29.738 29.700 0.084 0.000 0.766 331 E HN 0.854 nan 8.360 nan 0.000 0.507 332 W N -0.338 121.054 121.300 0.153 0.000 2.937 332 W HA 0.004 4.664 4.660 0.000 0.000 0.245 332 W C 1.241 177.841 176.519 0.136 0.000 1.306 332 W CA -0.294 57.112 57.345 0.103 0.000 1.470 332 W CB -0.747 28.736 29.460 0.039 0.000 1.132 332 W HN -0.051 nan 8.180 nan 0.000 0.675 333 F N 3.498 123.312 119.950 -0.226 0.000 2.084 333 F HA -0.282 4.245 4.527 0.000 0.000 0.296 333 F C 2.748 178.577 175.800 0.047 0.000 1.111 333 F CA 3.050 60.960 58.000 -0.150 0.000 1.224 333 F CB -0.470 38.370 39.000 -0.267 0.000 0.991 333 F HN -0.061 nan 8.300 nan 0.000 0.471 334 Q N 0.296 120.228 119.800 0.219 0.000 2.368 334 Q HA -0.204 4.136 4.340 0.000 0.000 0.210 334 Q C 1.374 177.421 176.000 0.079 0.000 0.982 334 Q CA 1.935 57.825 55.803 0.146 0.000 0.884 334 Q CB -1.182 27.640 28.738 0.141 0.000 0.933 334 Q HN 0.514 nan 8.270 nan 0.000 0.460 335 E N 0.356 120.617 120.200 0.101 0.000 2.472 335 E HA -0.040 4.310 4.350 0.000 0.000 0.200 335 E C 1.278 177.906 176.600 0.046 0.000 1.046 335 E CA 0.512 56.968 56.400 0.094 0.000 0.871 335 E CB -0.074 29.714 29.700 0.147 0.000 0.806 335 E HN 0.488 nan 8.360 nan 0.000 0.533 336 L N -0.490 120.718 121.223 -0.026 0.000 2.492 336 L HA 0.109 4.449 4.340 0.000 0.000 0.223 336 L C 1.387 178.242 176.870 -0.025 0.000 1.132 336 L CA 0.269 55.059 54.840 -0.084 0.000 0.850 336 L CB -0.157 41.721 42.059 -0.301 0.000 0.966 336 L HN 0.175 nan 8.230 nan 0.000 0.454 337 G N 1.402 110.209 108.800 0.012 0.000 2.305 337 G HA2 -0.284 3.676 3.960 0.000 0.000 0.287 337 G HA3 -0.284 3.676 3.960 0.000 0.000 0.287 337 G C 0.087 175.067 174.900 0.133 0.000 1.036 337 G CA 0.079 45.226 45.100 0.079 0.000 0.887 337 G HN 0.240 nan 8.290 nan 0.000 0.505 338 L N -0.713 120.528 121.223 0.029 0.000 2.399 338 L HA 0.782 5.122 4.340 0.000 0.000 0.266 338 L C 0.679 177.492 176.870 -0.096 0.000 1.114 338 L CA -0.306 54.524 54.840 -0.017 0.000 0.804 338 L CB 1.540 43.460 42.059 -0.231 0.000 1.146 338 L HN 0.564 nan 8.230 nan 0.000 0.451 339 K N 0.852 121.068 120.400 -0.308 0.000 2.625 339 K HA 0.411 4.731 4.320 0.000 0.000 0.284 339 K C -2.141 174.402 176.600 -0.095 0.000 0.984 339 K CA -1.061 55.096 56.287 -0.216 0.000 0.865 339 K CB 1.714 34.022 32.500 -0.319 0.000 1.468 339 K HN 0.570 nan 8.250 nan 0.000 0.407 340 W N 2.632 123.868 121.300 -0.107 0.000 3.118 340 W HA 0.374 5.034 4.660 0.000 0.000 0.328 340 W C -1.229 175.276 176.519 -0.024 0.000 1.239 340 W CA -0.884 56.433 57.345 -0.046 0.000 1.176 340 W CB 1.670 30.980 29.460 -0.251 0.000 1.433 340 W HN 0.702 nan 8.180 nan 0.000 0.562 341 Y N 1.026 121.139 120.300 -0.311 0.000 2.346 341 Y HA 0.502 5.052 4.550 0.000 0.000 0.330 341 Y C 0.723 176.771 175.900 0.247 0.000 1.178 341 Y CA 0.012 58.041 58.100 -0.118 0.000 1.331 341 Y CB 0.379 38.639 38.460 -0.334 0.000 1.253 341 Y HN 0.351 nan 8.280 nan 0.000 0.529 342 A N 3.350 126.392 122.820 0.369 0.000 2.238 342 A HA 0.174 4.494 4.320 0.000 0.000 0.208 342 A C 0.080 178.011 177.584 0.577 0.000 1.177 342 A CA 0.040 52.383 52.037 0.510 0.000 0.804 342 A CB -0.371 18.776 19.000 0.245 0.000 0.823 342 A HN 0.652 nan 8.150 nan 0.000 0.482 343 L N 1.563 123.106 121.223 0.533 0.000 2.318 343 L HA 0.448 4.788 4.340 0.000 0.000 0.277 343 L C -2.667 174.359 176.870 0.260 0.000 1.008 343 L CA -2.183 52.856 54.840 0.331 0.000 0.846 343 L CB 1.887 44.055 42.059 0.182 0.000 1.220 343 L HN -0.083 nan 8.230 nan 0.000 0.423 344 P HA 0.374 nan 4.420 nan 0.000 0.284 344 P C -1.361 175.833 177.300 -0.175 0.000 1.432 344 P CA -0.275 62.647 63.100 -0.297 0.000 0.929 344 P CB 1.254 32.406 31.700 -0.912 0.000 1.158 345 A N 4.398 127.128 122.820 -0.149 0.000 2.340 345 A HA 0.441 4.761 4.320 0.000 0.000 0.297 345 A C -0.251 177.126 177.584 -0.344 0.000 1.195 345 A CA -0.708 51.192 52.037 -0.228 0.000 0.769 345 A CB 1.122 20.007 19.000 -0.192 0.000 1.163 345 A HN 0.288 nan 8.150 nan 0.000 0.472 346 V N 2.371 121.941 119.914 -0.574 0.000 2.521 346 V HA 0.342 4.462 4.120 0.000 0.000 0.286 346 V C 1.230 176.901 176.094 -0.705 0.000 1.034 346 V CA 1.119 62.986 62.300 -0.721 0.000 1.045 346 V CB 1.035 32.115 31.823 -1.238 0.000 0.974 346 V HN 1.112 nan 8.190 nan 0.000 0.480 347 A N 4.186 126.757 122.820 -0.415 0.000 2.127 347 A HA 0.117 4.437 4.320 0.000 0.000 0.204 347 A C 1.288 178.773 177.584 -0.165 0.000 1.243 347 A CA 0.418 52.288 52.037 -0.279 0.000 0.887 347 A CB -0.037 18.846 19.000 -0.194 0.000 0.933 347 A HN 0.899 nan 8.150 nan 0.000 0.479 348 N N -0.862 117.754 118.700 -0.139 0.000 2.321 348 N HA 0.304 5.044 4.740 0.000 0.000 0.242 348 N C -0.108 175.411 175.510 0.015 0.000 1.141 348 N CA -0.210 52.816 53.050 -0.041 0.000 0.864 348 N CB 0.181 38.650 38.487 -0.031 0.000 1.100 348 N HN 0.308 nan 8.380 nan 0.000 0.510 349 M N 1.287 120.886 119.600 -0.002 0.000 2.478 349 M HA 0.358 4.838 4.480 0.000 0.000 0.327 349 M C -0.640 175.786 176.300 0.210 0.000 1.187 349 M CA -0.868 54.507 55.300 0.124 0.000 1.022 349 M CB 2.614 35.288 32.600 0.124 0.000 1.629 349 M HN 0.144 nan 8.290 nan 0.000 0.461 350 L N 2.891 124.285 121.223 0.285 0.000 2.309 350 L HA 0.537 4.877 4.340 0.000 0.000 0.282 350 L C -1.355 175.777 176.870 0.437 0.000 1.036 350 L CA -0.983 54.050 54.840 0.322 0.000 0.806 350 L CB 1.220 43.429 42.059 0.251 0.000 1.220 350 L HN 0.591 nan 8.230 nan 0.000 0.429 351 L N 5.190 126.677 121.223 0.440 0.000 2.257 351 L HA 0.429 4.769 4.340 0.000 0.000 0.290 351 L C -0.367 176.713 176.870 0.350 0.000 1.044 351 L CA 0.241 55.315 54.840 0.390 0.000 0.810 351 L CB 1.020 43.267 42.059 0.312 0.000 1.193 351 L HN 0.619 nan 8.230 nan 0.000 0.425 352 E N 4.857 125.223 120.200 0.277 0.000 2.175 352 E HA 0.531 4.881 4.350 0.000 0.000 0.278 352 E C -1.832 174.839 176.600 0.118 0.000 0.969 352 E CA -0.392 56.137 56.400 0.214 0.000 0.796 352 E CB 1.858 31.726 29.700 0.281 0.000 1.104 352 E HN 0.532 nan 8.360 nan 0.000 0.395 353 V N 3.059 123.004 119.914 0.053 0.000 2.823 353 V HA 0.434 4.554 4.120 0.000 0.000 0.296 353 V C 0.199 176.198 176.094 -0.158 0.000 1.250 353 V CA 0.434 62.676 62.300 -0.095 0.000 0.939 353 V CB 1.302 32.989 31.823 -0.226 0.000 1.062 353 V HN 0.881 nan 8.190 nan 0.000 0.433 354 G N 4.352 113.096 108.800 -0.093 0.000 2.422 354 G HA2 0.077 4.037 3.960 0.000 0.000 0.301 354 G HA3 0.077 4.037 3.960 0.000 0.000 0.301 354 G C 1.634 176.671 174.900 0.228 0.000 0.981 354 G CA 1.468 46.652 45.100 0.140 0.000 0.994 354 G HN 2.792 nan 8.290 nan 0.000 0.514 355 G N -2.185 106.691 108.800 0.126 0.000 2.205 355 G HA2 -0.256 3.704 3.960 0.000 0.000 0.261 355 G HA3 -0.256 3.704 3.960 0.000 0.000 0.261 355 G C 0.468 175.416 174.900 0.080 0.000 0.980 355 G CA 0.653 45.849 45.100 0.160 0.000 0.632 355 G HN 1.284 nan 8.290 nan 0.000 0.533 356 L N 0.375 121.605 121.223 0.012 0.000 2.357 356 L HA 0.686 5.026 4.340 0.000 0.000 0.273 356 L C 0.340 177.099 176.870 -0.184 0.000 1.080 356 L CA -0.693 54.059 54.840 -0.147 0.000 0.803 356 L CB 1.318 43.202 42.059 -0.291 0.000 1.174 356 L HN 0.165 nan 8.230 nan 0.000 0.443 357 E N 1.818 121.831 120.200 -0.311 0.000 2.222 357 E HA 0.434 4.784 4.350 0.000 0.000 0.267 357 E C -1.574 174.807 176.600 -0.365 0.000 0.884 357 E CA -0.465 55.821 56.400 -0.191 0.000 0.764 357 E CB 2.197 31.838 29.700 -0.098 0.000 1.169 357 E HN 0.283 nan 8.360 nan 0.000 0.413 358 F N 2.716 122.702 119.950 0.060 0.000 2.451 358 F HA 0.293 4.820 4.527 0.000 0.000 0.367 358 F C -1.901 173.978 175.800 0.132 0.000 1.100 358 F CA -1.936 56.118 58.000 0.089 0.000 1.171 358 F CB 1.498 40.545 39.000 0.079 0.000 1.405 358 F HN 0.348 nan 8.300 nan 0.000 0.482 359 P HA -0.101 nan 4.420 nan 0.000 0.223 359 P C -0.097 177.339 177.300 0.226 0.000 1.144 359 P CA 0.820 64.042 63.100 0.203 0.000 0.783 359 P CB 0.401 32.195 31.700 0.156 0.000 0.771 360 A N -0.147 122.851 122.820 0.295 0.000 2.411 360 A HA 0.557 4.877 4.320 0.000 0.000 0.285 360 A C -0.382 177.430 177.584 0.379 0.000 1.129 360 A CA -0.425 51.790 52.037 0.295 0.000 0.736 360 A CB 0.359 19.509 19.000 0.250 0.000 1.186 360 A HN 0.239 nan 8.150 nan 0.000 0.445 361 C N 0.852 120.312 119.300 0.267 0.000 3.079 361 C HA 0.458 4.918 4.460 0.000 0.000 0.246 361 C C -2.918 172.132 174.990 0.100 0.000 1.025 361 C CA -1.501 57.631 59.018 0.189 0.000 1.081 361 C CB -0.272 27.574 27.740 0.176 0.000 1.757 361 C HN 0.580 nan 8.230 nan 0.000 0.646 362 P HA 0.315 nan 4.420 nan 0.000 0.264 362 P C -0.573 176.636 177.300 -0.152 0.000 1.193 362 P CA 0.966 63.938 63.100 -0.213 0.000 0.763 362 P CB 0.455 32.026 31.700 -0.216 0.000 0.810 363 F N 0.904 120.715 119.950 -0.232 0.000 2.603 363 F HA 0.693 5.220 4.527 0.000 0.000 0.317 363 F C -0.522 175.145 175.800 -0.222 0.000 1.066 363 F CA -1.208 56.662 58.000 -0.216 0.000 0.941 363 F CB 1.720 40.468 39.000 -0.421 0.000 1.291 363 F HN 0.333 nan 8.300 nan 0.000 0.472 364 N N 0.036 118.800 118.700 0.107 0.000 2.525 364 N HA 0.761 5.501 4.740 0.000 0.000 0.270 364 N C -1.224 174.206 175.510 -0.134 0.000 1.321 364 N CA -0.422 52.623 53.050 -0.008 0.000 0.797 364 N CB 2.030 40.577 38.487 0.099 0.000 1.529 364 N HN 1.076 nan 8.380 nan 0.000 0.491 365 G N -0.844 107.849 108.800 -0.177 0.000 3.195 365 G HA2 0.661 4.621 3.960 0.000 0.000 0.217 365 G HA3 0.661 4.621 3.960 0.000 0.000 0.217 365 G C -1.880 172.981 174.900 -0.066 0.000 1.166 365 G CA -0.794 44.129 45.100 -0.296 0.000 0.812 365 G HN 0.692 nan 8.290 nan 0.000 0.617 366 W N -1.311 119.982 121.300 -0.013 0.000 2.781 366 W HA 0.818 5.478 4.660 0.000 0.000 0.345 366 W C -1.215 175.303 176.519 -0.003 0.000 1.085 366 W CA -2.168 55.192 57.345 0.024 0.000 1.198 366 W CB 0.375 29.879 29.460 0.072 0.000 1.423 366 W HN 0.448 nan 8.180 nan 0.000 0.532 367 Y N 2.347 122.814 120.300 0.278 0.000 2.385 367 Y HA 0.214 4.764 4.550 0.000 0.000 0.346 367 Y C 0.743 176.679 175.900 0.059 0.000 1.270 367 Y CA -0.200 57.940 58.100 0.067 0.000 1.472 367 Y CB 0.813 39.205 38.460 -0.113 0.000 1.354 367 Y HN 0.469 nan 8.280 nan 0.000 0.611 368 M N 1.485 121.210 119.600 0.208 0.000 2.259 368 M HA 0.360 4.840 4.480 0.000 0.000 0.304 368 M C 0.968 177.222 176.300 -0.076 0.000 1.019 368 M CA -0.243 55.102 55.300 0.075 0.000 0.922 368 M CB 1.559 34.198 32.600 0.065 0.000 1.600 368 M HN 0.821 nan 8.290 nan 0.000 0.433 369 G N 1.916 110.628 108.800 -0.146 0.000 2.783 369 G HA2 -0.402 3.558 3.960 0.000 0.000 0.225 369 G HA3 -0.402 3.558 3.960 0.000 0.000 0.225 369 G C 1.111 175.826 174.900 -0.309 0.000 1.191 369 G CA 2.348 47.298 45.100 -0.249 0.000 0.774 369 G HN 0.906 nan 8.290 nan 0.000 0.632 370 T N -0.929 113.436 114.554 -0.315 0.000 2.869 370 T HA -0.093 4.257 4.350 0.000 0.000 0.270 370 T C 1.931 176.437 174.700 -0.322 0.000 1.082 370 T CA 1.887 63.763 62.100 -0.373 0.000 1.123 370 T CB -0.355 68.223 68.868 -0.484 0.000 0.856 370 T HN 0.600 nan 8.240 nan 0.000 0.499 371 E N 0.819 120.859 120.200 -0.267 0.000 2.051 371 E HA -0.059 4.291 4.350 0.000 0.000 0.192 371 E C 2.128 178.450 176.600 -0.463 0.000 0.991 371 E CA 1.535 57.797 56.400 -0.230 0.000 0.799 371 E CB -0.267 29.449 29.700 0.027 0.000 0.748 371 E HN 0.590 nan 8.360 nan 0.000 0.449 372 I N 0.359 120.505 120.570 -0.707 0.000 2.270 372 I HA -0.074 4.096 4.170 0.000 0.000 0.239 372 I C 2.603 178.119 176.117 -1.003 0.000 1.080 372 I CA 1.022 61.612 61.300 -1.184 0.000 1.383 372 I CB -0.464 36.749 38.000 -1.312 0.000 1.097 372 I HN 0.101 nan 8.210 nan 0.000 0.420 373 G N 0.301 108.764 108.800 -0.562 0.000 2.432 373 G HA2 -0.133 3.827 3.960 0.000 0.000 0.219 373 G HA3 -0.133 3.827 3.960 0.000 0.000 0.219 373 G C 1.572 176.395 174.900 -0.128 0.000 1.135 373 G CA 1.117 46.097 45.100 -0.201 0.000 0.767 373 G HN 0.242 nan 8.290 nan 0.000 0.550 374 V N 0.030 119.806 119.914 -0.230 0.000 2.521 374 V HA 0.089 4.209 4.120 0.000 0.000 0.239 374 V C 2.767 178.769 176.094 -0.153 0.000 1.053 374 V CA 0.857 63.058 62.300 -0.166 0.000 1.073 374 V CB -0.216 31.480 31.823 -0.212 0.000 0.746 374 V HN 0.108 nan 8.190 nan 0.000 0.476 375 R N 0.715 121.082 120.500 -0.221 0.000 2.051 375 R HA -0.028 4.312 4.340 0.000 0.000 0.225 375 R C 1.986 178.189 176.300 -0.162 0.000 1.155 375 R CA 1.498 57.493 56.100 -0.174 0.000 0.945 375 R CB -1.152 29.037 30.300 -0.184 0.000 0.840 375 R HN 0.452 nan 8.270 nan 0.000 0.432 376 D N 0.516 120.700 120.400 -0.360 0.000 2.104 376 D HA -0.143 4.497 4.640 0.000 0.000 0.194 376 D C 1.891 178.108 176.300 -0.139 0.000 0.994 376 D CA 1.237 54.964 54.000 -0.454 0.000 0.830 376 D CB -0.232 39.736 40.800 -1.388 0.000 0.959 376 D HN 0.090 nan 8.370 nan 0.000 0.452 377 F N 0.233 120.058 119.950 -0.208 0.000 2.219 377 F HA 0.027 4.554 4.527 0.000 0.000 0.294 377 F C 2.475 178.314 175.800 0.064 0.000 1.086 377 F CA -0.157 57.824 58.000 -0.031 0.000 1.330 377 F CB -0.794 38.171 39.000 -0.059 0.000 1.047 377 F HN 0.041 nan 8.300 nan 0.000 0.495 378 C N -1.021 118.398 119.300 0.199 0.000 2.590 378 C HA 0.109 4.569 4.460 0.000 0.000 0.272 378 C C 0.454 175.499 174.990 0.091 0.000 1.338 378 C CA -0.651 58.446 59.018 0.132 0.000 1.746 378 C CB -0.809 26.976 27.740 0.074 0.000 2.020 378 C HN 0.129 nan 8.230 nan 0.000 0.531 379 D N 1.812 122.254 120.400 0.070 0.000 2.488 379 D HA 0.052 4.692 4.640 0.000 0.000 0.238 379 D C 1.516 177.866 176.300 0.083 0.000 1.138 379 D CA 0.552 54.585 54.000 0.053 0.000 0.873 379 D CB 0.812 41.636 40.800 0.040 0.000 1.183 379 D HN 0.429 nan 8.370 nan 0.000 0.458 380 T N -0.476 114.115 114.554 0.062 0.000 2.833 380 T HA -0.238 4.112 4.350 0.000 0.000 0.269 380 T C 1.341 176.081 174.700 0.066 0.000 1.054 380 T CA 0.815 62.956 62.100 0.068 0.000 1.135 380 T CB -0.066 68.835 68.868 0.055 0.000 0.869 380 T HN 0.512 nan 8.240 nan 0.000 0.466 381 Q N 0.845 120.682 119.800 0.062 0.000 2.373 381 Q HA 0.146 4.486 4.340 0.000 0.000 0.206 381 Q C 0.787 176.831 176.000 0.072 0.000 0.942 381 Q CA -0.049 55.789 55.803 0.059 0.000 0.953 381 Q CB 0.148 28.918 28.738 0.054 0.000 1.022 381 Q HN 0.390 nan 8.270 nan 0.000 0.502 382 R N -0.434 120.127 120.500 0.101 0.000 2.721 382 R HA 0.240 4.580 4.340 0.000 0.000 0.104 382 R C 1.241 177.610 176.300 0.115 0.000 1.052 382 R CA -0.340 55.852 56.100 0.153 0.000 0.852 382 R CB -1.040 29.418 30.300 0.264 0.000 0.799 382 R HN 0.075 nan 8.270 nan 0.000 0.373 383 Y N 1.662 122.093 120.300 0.218 0.000 2.561 383 Y HA 0.030 4.580 4.550 0.000 0.000 0.291 383 Y C 0.580 176.576 175.900 0.160 0.000 1.141 383 Y CA 0.365 58.602 58.100 0.230 0.000 1.303 383 Y CB -0.216 38.477 38.460 0.388 0.000 1.015 383 Y HN 0.404 nan 8.280 nan 0.000 0.547 384 N N 1.210 120.068 118.700 0.263 0.000 2.689 384 N HA -0.233 4.507 4.740 0.000 0.000 0.263 384 N C 0.392 176.007 175.510 0.174 0.000 0.987 384 N CA 0.865 54.024 53.050 0.181 0.000 0.782 384 N CB -1.276 37.284 38.487 0.123 0.000 0.903 384 N HN 0.689 nan 8.380 nan 0.000 0.547 385 I N -3.121 117.565 120.570 0.193 0.000 3.812 385 I HA 0.071 4.241 4.170 0.000 0.000 0.320 385 I C 1.665 177.878 176.117 0.160 0.000 1.276 385 I CA -0.340 61.043 61.300 0.138 0.000 1.164 385 I CB -0.045 37.991 38.000 0.060 0.000 1.009 385 I HN 0.110 nan 8.210 nan 0.000 0.431 386 L N 1.462 122.797 121.223 0.188 0.000 1.994 386 L HA -0.153 4.187 4.340 0.000 0.000 0.208 386 L C 2.563 179.649 176.870 0.360 0.000 1.071 386 L CA 1.963 56.949 54.840 0.244 0.000 0.745 386 L CB -0.800 41.362 42.059 0.172 0.000 0.892 386 L HN 0.361 nan 8.230 nan 0.000 0.431 387 E N -0.768 119.620 120.200 0.313 0.000 2.153 387 E HA -0.235 4.115 4.350 0.000 0.000 0.194 387 E C 2.001 178.627 176.600 0.043 0.000 0.988 387 E CA 0.910 57.440 56.400 0.216 0.000 0.811 387 E CB 0.110 29.892 29.700 0.137 0.000 0.746 387 E HN 0.479 nan 8.360 nan 0.000 0.466 388 E N 0.210 120.452 120.200 0.069 0.000 2.046 388 E HA -0.099 4.251 4.350 0.000 0.000 0.190 388 E C 2.148 178.762 176.600 0.023 0.000 0.982 388 E CA 0.593 57.001 56.400 0.013 0.000 0.800 388 E CB 0.028 29.742 29.700 0.023 0.000 0.756 388 E HN 0.106 nan 8.360 nan 0.000 0.449 389 V N 0.561 120.555 119.914 0.133 0.000 2.759 389 V HA -0.158 3.962 4.120 0.000 0.000 0.256 389 V C 2.267 178.489 176.094 0.214 0.000 1.080 389 V CA 1.542 63.994 62.300 0.254 0.000 1.101 389 V CB -0.696 31.351 31.823 0.373 0.000 0.698 389 V HN 0.298 nan 8.190 nan 0.000 0.477 390 G N 0.339 109.233 108.800 0.157 0.000 2.464 390 G HA2 -0.211 3.749 3.960 0.000 0.000 0.214 390 G HA3 -0.211 3.749 3.960 0.000 0.000 0.214 390 G C 1.673 176.482 174.900 -0.153 0.000 1.218 390 G CA 0.648 45.779 45.100 0.052 0.000 0.794 390 G HN 0.415 nan 8.290 nan 0.000 0.542 391 R N 0.206 120.559 120.500 -0.245 0.000 2.112 391 R HA -0.094 4.246 4.340 0.000 0.000 0.242 391 R C 2.700 178.805 176.300 -0.325 0.000 1.137 391 R CA 1.493 57.426 56.100 -0.278 0.000 0.944 391 R CB -0.429 29.725 30.300 -0.244 0.000 0.857 391 R HN 0.265 nan 8.270 nan 0.000 0.435 392 R N 0.256 120.495 120.500 -0.436 0.000 2.200 392 R HA -0.068 4.272 4.340 0.000 0.000 0.234 392 R C 2.027 177.826 176.300 -0.835 0.000 1.127 392 R CA 1.121 56.710 56.100 -0.852 0.000 0.989 392 R CB -0.187 29.270 30.300 -1.404 0.000 0.869 392 R HN 0.345 nan 8.270 nan 0.000 0.459 393 M N -0.653 118.730 119.600 -0.361 0.000 2.541 393 M HA 0.109 4.589 4.480 0.000 0.000 0.252 393 M C 0.687 176.900 176.300 -0.145 0.000 1.125 393 M CA 0.589 55.807 55.300 -0.137 0.000 1.091 393 M CB 0.648 33.320 32.600 0.120 0.000 1.420 393 M HN 0.366 nan 8.290 nan 0.000 0.486 394 G N 2.272 110.959 108.800 -0.189 0.000 2.248 394 G HA2 -0.214 3.746 3.960 0.000 0.000 0.263 394 G HA3 -0.214 3.746 3.960 0.000 0.000 0.263 394 G C -0.319 174.522 174.900 -0.098 0.000 1.082 394 G CA -0.205 44.806 45.100 -0.149 0.000 0.863 394 G HN 0.386 nan 8.290 nan 0.000 0.495 395 L N -1.097 120.058 121.223 -0.114 0.000 2.358 395 L HA 0.536 4.876 4.340 0.000 0.000 0.268 395 L C 0.766 177.518 176.870 -0.196 0.000 1.032 395 L CA -1.092 53.699 54.840 -0.082 0.000 0.805 395 L CB 1.100 43.172 42.059 0.023 0.000 1.253 395 L HN 0.162 nan 8.230 nan 0.000 0.452 396 E N 0.106 120.227 120.200 -0.131 0.000 1.999 396 E HA -0.011 4.339 4.350 0.000 0.000 0.296 396 E C 0.757 177.104 176.600 -0.421 0.000 1.187 396 E CA -0.081 56.224 56.400 -0.158 0.000 1.229 396 E CB -0.069 29.623 29.700 -0.013 0.000 1.131 396 E HN 0.625 nan 8.360 nan 0.000 0.478 397 T N -1.753 112.303 114.554 -0.830 0.000 3.219 397 T HA -0.147 4.203 4.350 0.000 0.000 0.264 397 T C 0.846 174.947 174.700 -0.997 0.000 1.178 397 T CA 0.733 61.867 62.100 -1.609 0.000 1.057 397 T CB -0.086 67.869 68.868 -1.522 0.000 0.919 397 T HN 0.412 nan 8.240 nan 0.000 0.545 398 H N -0.135 118.772 119.070 -0.271 0.000 3.058 398 H HA 0.251 4.807 4.556 0.000 0.000 0.266 398 H C -0.090 175.263 175.328 0.042 0.000 1.135 398 H CA -0.045 55.965 56.048 -0.064 0.000 1.174 398 H CB 0.954 30.672 29.762 -0.074 0.000 1.581 398 H HN 0.364 nan 8.280 nan 0.000 0.553 399 T N 2.247 116.897 114.554 0.159 0.000 3.060 399 T HA 0.227 4.577 4.350 0.000 0.000 0.367 399 T C 1.579 176.453 174.700 0.290 0.000 1.229 399 T CA -0.283 61.928 62.100 0.185 0.000 1.104 399 T CB 1.250 70.195 68.868 0.128 0.000 1.083 399 T HN 0.071 nan 8.240 nan 0.000 0.524 400 L N 1.743 123.126 121.223 0.267 0.000 2.021 400 L HA -0.229 4.111 4.340 0.000 0.000 0.215 400 L C 2.849 179.798 176.870 0.131 0.000 1.074 400 L CA 1.751 56.717 54.840 0.210 0.000 0.760 400 L CB -0.473 41.657 42.059 0.119 0.000 0.889 400 L HN 0.719 nan 8.230 nan 0.000 0.433 401 A N -0.437 122.448 122.820 0.109 0.000 2.139 401 A HA -0.226 4.094 4.320 0.000 0.000 0.221 401 A C 2.373 180.012 177.584 0.092 0.000 1.159 401 A CA 1.757 53.840 52.037 0.077 0.000 0.662 401 A CB -0.653 18.386 19.000 0.065 0.000 0.796 401 A HN 0.598 nan 8.150 nan 0.000 0.463 402 S N -0.589 115.201 115.700 0.150 0.000 2.515 402 S HA 0.075 4.545 4.470 0.000 0.000 0.231 402 S C 0.887 175.578 174.600 0.152 0.000 0.987 402 S CA 0.695 58.990 58.200 0.159 0.000 0.936 402 S CB -0.739 62.582 63.200 0.202 0.000 0.766 402 S HN 0.874 nan 8.310 nan 0.000 0.528 403 L N 0.426 121.711 121.223 0.104 0.000 3.865 403 L HA -0.168 4.172 4.340 0.000 0.000 0.408 403 L C 1.545 178.443 176.870 0.047 0.000 1.209 403 L CA 0.846 55.696 54.840 0.016 0.000 0.940 403 L CB -2.659 39.414 42.059 0.023 0.000 1.971 403 L HN 0.785 nan 8.230 nan 0.000 0.899 404 W N 0.190 121.505 121.300 0.025 0.000 2.388 404 W HA -0.111 4.549 4.660 0.000 0.000 0.294 404 W C 1.703 178.245 176.519 0.039 0.000 1.212 404 W CA 1.158 58.520 57.345 0.029 0.000 1.271 404 W CB -0.647 28.819 29.460 0.009 0.000 1.126 404 W HN 0.243 nan 8.180 nan 0.000 0.535 405 K N 0.780 120.627 120.400 -0.920 0.000 2.057 405 K HA -0.162 4.158 4.320 0.000 0.000 0.207 405 K C 1.660 178.091 176.600 -0.282 0.000 1.049 405 K CA 1.991 57.762 56.287 -0.860 0.000 0.931 405 K CB -0.334 31.554 32.500 -1.020 0.000 0.714 405 K HN 0.049 nan 8.250 nan 0.000 0.440 406 D N 0.469 120.757 120.400 -0.187 0.000 2.117 406 D HA -0.126 4.514 4.640 0.000 0.000 0.197 406 D C 2.048 178.356 176.300 0.013 0.000 0.987 406 D CA 0.940 54.898 54.000 -0.070 0.000 0.829 406 D CB -0.005 40.767 40.800 -0.047 0.000 0.961 406 D HN 0.159 nan 8.370 nan 0.000 0.460 407 R N 0.830 121.368 120.500 0.064 0.000 2.073 407 R HA -0.080 4.260 4.340 0.000 0.000 0.234 407 R C 2.320 178.725 176.300 0.174 0.000 1.134 407 R CA 1.105 57.283 56.100 0.130 0.000 0.952 407 R CB -0.443 29.962 30.300 0.174 0.000 0.850 407 R HN 0.097 nan 8.270 nan 0.000 0.433 408 A N 0.814 123.760 122.820 0.210 0.000 1.835 408 A HA -0.156 4.164 4.320 0.000 0.000 0.215 408 A C 2.311 180.019 177.584 0.206 0.000 1.199 408 A CA 1.706 53.905 52.037 0.271 0.000 0.615 408 A CB -1.102 18.102 19.000 0.340 0.000 0.838 408 A HN 0.188 nan 8.150 nan 0.000 0.444 409 V N 0.077 120.062 119.914 0.118 0.000 2.439 409 V HA -0.268 3.852 4.120 0.000 0.000 0.253 409 V C 2.548 178.680 176.094 0.063 0.000 1.074 409 V CA 3.025 65.370 62.300 0.075 0.000 1.076 409 V CB -0.915 30.907 31.823 -0.002 0.000 0.664 409 V HN 0.683 nan 8.190 nan 0.000 0.461 410 T N -0.427 114.167 114.554 0.068 0.000 2.821 410 T HA -0.110 4.240 4.350 0.000 0.000 0.267 410 T C 1.764 176.490 174.700 0.043 0.000 1.046 410 T CA 1.432 63.564 62.100 0.053 0.000 1.139 410 T CB -0.209 68.698 68.868 0.065 0.000 0.871 410 T HN 0.535 nan 8.240 nan 0.000 0.454 411 E N 0.974 121.236 120.200 0.104 0.000 2.107 411 E HA 0.059 4.409 4.350 0.000 0.000 0.191 411 E C 2.217 178.816 176.600 -0.001 0.000 0.982 411 E CA 0.571 57.028 56.400 0.095 0.000 0.809 411 E CB -0.330 29.549 29.700 0.297 0.000 0.756 411 E HN 0.522 nan 8.360 nan 0.000 0.459 412 I N 1.538 122.183 120.570 0.126 0.000 2.286 412 I HA -0.237 3.933 4.170 0.000 0.000 0.248 412 I C 2.175 178.308 176.117 0.027 0.000 1.115 412 I CA 0.733 62.131 61.300 0.163 0.000 1.392 412 I CB -0.260 37.910 38.000 0.284 0.000 1.065 412 I HN 0.037 nan 8.210 nan 0.000 0.418 413 N N 0.625 119.317 118.700 -0.013 0.000 2.188 413 N HA -0.104 4.636 4.740 0.000 0.000 0.184 413 N C 1.943 177.385 175.510 -0.114 0.000 1.018 413 N CA 1.102 54.111 53.050 -0.067 0.000 0.858 413 N CB -0.022 38.423 38.487 -0.069 0.000 0.989 413 N HN 0.127 nan 8.380 nan 0.000 0.426 414 V N 1.630 121.438 119.914 -0.176 0.000 2.407 414 V HA -0.203 3.917 4.120 0.000 0.000 0.248 414 V C 2.457 178.331 176.094 -0.367 0.000 1.055 414 V CA 1.741 63.873 62.300 -0.280 0.000 1.049 414 V CB -0.937 30.634 31.823 -0.420 0.000 0.662 414 V HN 0.270 nan 8.190 nan 0.000 0.455 415 A N 0.063 122.586 122.820 -0.495 0.000 1.865 415 A HA -0.182 4.138 4.320 0.000 0.000 0.217 415 A C 2.418 179.917 177.584 -0.141 0.000 1.191 415 A CA 2.301 54.025 52.037 -0.522 0.000 0.623 415 A CB -0.865 17.575 19.000 -0.933 0.000 0.826 415 A HN 0.307 nan 8.150 nan 0.000 0.444 416 V N 0.184 120.076 119.914 -0.038 0.000 2.231 416 V HA -0.330 3.790 4.120 0.000 0.000 0.248 416 V C 2.619 178.769 176.094 0.093 0.000 1.054 416 V CA 2.283 64.632 62.300 0.082 0.000 1.015 416 V CB -0.957 30.841 31.823 -0.041 0.000 0.638 416 V HN 0.583 nan 8.190 nan 0.000 0.444 417 L N -0.697 120.512 121.223 -0.023 0.000 2.013 417 L HA -0.266 4.074 4.340 0.000 0.000 0.212 417 L C 2.635 179.540 176.870 0.059 0.000 1.073 417 L CA 2.284 57.118 54.840 -0.010 0.000 0.753 417 L CB -0.938 41.103 42.059 -0.031 0.000 0.890 417 L HN 0.539 nan 8.230 nan 0.000 0.432 418 H N -0.238 118.782 119.070 -0.083 0.000 2.290 418 H HA -0.167 4.389 4.556 0.000 0.000 0.298 418 H C 2.341 177.648 175.328 -0.034 0.000 1.087 418 H CA 1.942 57.932 56.048 -0.097 0.000 1.291 418 H CB 0.268 29.903 29.762 -0.212 0.000 1.369 418 H HN 0.256 nan 8.280 nan 0.000 0.492 419 S N 0.214 115.839 115.700 -0.124 0.000 2.383 419 S HA -0.147 4.323 4.470 0.000 0.000 0.229 419 S C 1.970 176.506 174.600 -0.106 0.000 1.030 419 S CA 1.404 59.517 58.200 -0.145 0.000 1.002 419 S CB -0.487 62.717 63.200 0.008 0.000 0.829 419 S HN 0.303 nan 8.310 nan 0.000 0.467 420 F N 1.796 121.674 119.950 -0.121 0.000 2.113 420 F HA -0.079 4.448 4.527 0.000 0.000 0.297 420 F C 2.666 178.401 175.800 -0.108 0.000 1.103 420 F CA 1.153 59.101 58.000 -0.087 0.000 1.248 420 F CB -0.584 38.380 39.000 -0.060 0.000 0.999 420 F HN 0.184 nan 8.300 nan 0.000 0.475 421 Q N -0.076 119.760 119.800 0.060 0.000 2.084 421 Q HA -0.254 4.086 4.340 0.000 0.000 0.202 421 Q C 2.197 178.144 176.000 -0.089 0.000 0.978 421 Q CA 1.822 57.613 55.803 -0.019 0.000 0.844 421 Q CB -0.265 28.458 28.738 -0.025 0.000 0.898 421 Q HN 0.340 nan 8.270 nan 0.000 0.426 422 K N 0.945 121.234 120.400 -0.185 0.000 2.026 422 K HA -0.172 4.148 4.320 0.000 0.000 0.208 422 K C 1.526 178.041 176.600 -0.142 0.000 1.048 422 K CA 1.333 57.497 56.287 -0.205 0.000 0.929 422 K CB 0.132 32.414 32.500 -0.362 0.000 0.713 422 K HN 0.152 nan 8.250 nan 0.000 0.439 423 Q N 0.718 120.426 119.800 -0.152 0.000 2.373 423 Q HA 0.062 4.403 4.340 0.000 0.000 0.206 423 Q C -0.669 175.267 176.000 -0.107 0.000 0.942 423 Q CA -0.100 55.623 55.803 -0.134 0.000 0.953 423 Q CB 0.189 28.821 28.738 -0.176 0.000 1.022 423 Q HN 0.323 nan 8.270 nan 0.000 0.502 424 N N -0.226 118.425 118.700 -0.081 0.000 2.740 424 N HA -0.147 4.594 4.740 0.000 0.000 0.248 424 N C -1.360 174.125 175.510 -0.042 0.000 1.062 424 N CA 0.598 53.614 53.050 -0.056 0.000 0.704 424 N CB -1.447 37.008 38.487 -0.054 0.000 0.968 424 N HN 0.031 nan 8.380 nan 0.000 0.547 425 V N 0.841 120.746 119.914 -0.016 0.000 2.384 425 V HA 0.238 4.358 4.120 0.000 0.000 0.287 425 V C 0.834 177.035 176.094 0.179 0.000 1.020 425 V CA -0.671 61.661 62.300 0.053 0.000 0.850 425 V CB 1.970 33.759 31.823 -0.057 0.000 0.987 425 V HN 0.201 nan 8.190 nan 0.000 0.436 426 T N 6.588 121.189 114.554 0.078 0.000 2.891 426 T HA 0.327 4.677 4.350 0.000 0.000 0.296 426 T C -0.221 174.507 174.700 0.047 0.000 1.025 426 T CA 1.070 63.137 62.100 -0.055 0.000 1.149 426 T CB -0.022 68.707 68.868 -0.232 0.000 1.007 426 T HN 0.589 nan 8.240 nan 0.000 0.528 427 I N 2.391 122.904 120.570 -0.095 0.000 2.897 427 I HA 0.539 4.709 4.170 0.000 0.000 0.299 427 I C -1.699 174.368 176.117 -0.082 0.000 1.527 427 I CA -1.034 60.214 61.300 -0.087 0.000 0.979 427 I CB 2.023 39.859 38.000 -0.274 0.000 1.360 427 I HN 0.657 nan 8.210 nan 0.000 0.495 428 M N 5.023 124.636 119.600 0.022 0.000 2.327 428 M HA 0.396 4.876 4.480 0.000 0.000 0.298 428 M C -1.641 174.696 176.300 0.062 0.000 1.065 428 M CA -0.477 54.862 55.300 0.064 0.000 0.916 428 M CB 1.802 34.519 32.600 0.195 0.000 1.630 428 M HN 0.608 nan 8.290 nan 0.000 0.442 429 D N 2.171 122.610 120.400 0.064 0.000 2.362 429 D HA 0.078 4.718 4.640 0.000 0.000 0.242 429 D C 1.181 177.562 176.300 0.136 0.000 1.132 429 D CA -0.125 53.947 54.000 0.120 0.000 0.907 429 D CB 0.583 41.459 40.800 0.126 0.000 1.195 429 D HN 0.693 nan 8.370 nan 0.000 0.429 430 H N 0.848 119.862 119.070 -0.093 0.000 2.387 430 H HA -0.194 4.362 4.556 0.000 0.000 0.299 430 H C 1.199 176.446 175.328 -0.134 0.000 1.099 430 H CA 1.693 57.650 56.048 -0.151 0.000 1.315 430 H CB -0.892 28.716 29.762 -0.256 0.000 1.380 430 H HN 0.568 nan 8.280 nan 0.000 0.513 431 H N 0.866 119.693 119.070 -0.405 0.000 2.293 431 H HA -0.063 4.493 4.556 0.000 0.000 0.300 431 H C 2.070 177.350 175.328 -0.081 0.000 1.082 431 H CA 2.123 58.010 56.048 -0.269 0.000 1.308 431 H CB -0.482 29.101 29.762 -0.299 0.000 1.375 431 H HN 0.413 nan 8.280 nan 0.000 0.495 432 T N 1.133 115.738 114.554 0.085 0.000 2.833 432 T HA -0.086 4.264 4.350 0.000 0.000 0.269 432 T C 2.279 177.037 174.700 0.098 0.000 1.054 432 T CA 1.051 63.199 62.100 0.079 0.000 1.135 432 T CB -0.332 68.577 68.868 0.068 0.000 0.869 432 T HN 0.443 nan 8.240 nan 0.000 0.466 433 A N 1.271 124.150 122.820 0.099 0.000 1.898 433 A HA -0.043 4.277 4.320 0.000 0.000 0.216 433 A C 2.624 180.290 177.584 0.137 0.000 1.181 433 A CA 1.705 53.817 52.037 0.125 0.000 0.620 433 A CB -0.806 18.259 19.000 0.109 0.000 0.819 433 A HN 0.426 nan 8.150 nan 0.000 0.442 434 S N -0.015 115.746 115.700 0.103 0.000 2.356 434 S HA -0.178 4.292 4.470 0.000 0.000 0.223 434 S C 1.857 176.562 174.600 0.176 0.000 1.032 434 S CA 1.580 59.859 58.200 0.132 0.000 1.005 434 S CB -0.368 62.878 63.200 0.077 0.000 0.867 434 S HN 0.703 nan 8.310 nan 0.000 0.449 435 E N 0.909 121.187 120.200 0.130 0.000 2.085 435 E HA -0.134 4.216 4.350 0.000 0.000 0.194 435 E C 2.259 178.930 176.600 0.118 0.000 0.994 435 E CA 1.188 57.655 56.400 0.111 0.000 0.801 435 E CB -0.306 29.442 29.700 0.080 0.000 0.743 435 E HN 0.397 nan 8.360 nan 0.000 0.453 436 S N 0.440 116.222 115.700 0.137 0.000 2.365 436 S HA -0.207 4.263 4.470 0.000 0.000 0.225 436 S C 1.749 176.455 174.600 0.177 0.000 1.039 436 S CA 1.145 59.431 58.200 0.144 0.000 1.033 436 S CB -0.320 62.975 63.200 0.160 0.000 0.887 436 S HN 0.325 nan 8.310 nan 0.000 0.447 437 F N 1.854 121.854 119.950 0.082 0.000 2.134 437 F HA -0.019 4.508 4.527 0.000 0.000 0.299 437 F C 2.123 177.997 175.800 0.123 0.000 1.097 437 F CA 1.489 59.553 58.000 0.106 0.000 1.264 437 F CB -0.383 38.661 39.000 0.073 0.000 1.001 437 F HN 0.190 nan 8.300 nan 0.000 0.479 438 M N 0.185 119.796 119.600 0.018 0.000 2.108 438 M HA -0.207 4.274 4.480 0.000 0.000 0.261 438 M C 2.215 178.444 176.300 -0.118 0.000 1.066 438 M CA 1.628 56.884 55.300 -0.074 0.000 1.107 438 M CB -1.297 31.328 32.600 0.041 0.000 1.356 438 M HN 0.090 nan 8.290 nan 0.000 0.406 439 K N -0.378 119.999 120.400 -0.039 0.000 2.057 439 K HA -0.203 4.117 4.320 0.000 0.000 0.207 439 K C 1.978 178.546 176.600 -0.053 0.000 1.049 439 K CA 1.764 58.035 56.287 -0.027 0.000 0.931 439 K CB -0.517 31.998 32.500 0.025 0.000 0.714 439 K HN 0.402 nan 8.250 nan 0.000 0.440 440 H N -0.155 118.813 119.070 -0.170 0.000 2.293 440 H HA -0.056 4.500 4.556 0.000 0.000 0.300 440 H C 2.038 177.201 175.328 -0.276 0.000 1.082 440 H CA 2.532 58.461 56.048 -0.198 0.000 1.308 440 H CB -0.279 29.359 29.762 -0.206 0.000 1.375 440 H HN 0.240 nan 8.280 nan 0.000 0.495 441 M N 0.083 119.317 119.600 -0.609 0.000 2.106 441 M HA -0.278 4.202 4.480 0.000 0.000 0.259 441 M C 2.520 178.676 176.300 -0.239 0.000 1.068 441 M CA 2.350 57.341 55.300 -0.515 0.000 1.100 441 M CB -0.232 32.032 32.600 -0.558 0.000 1.351 441 M HN 0.610 nan 8.290 nan 0.000 0.404 442 Q N 0.005 119.668 119.800 -0.229 0.000 2.084 442 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 442 Q C 1.382 177.320 176.000 -0.102 0.000 0.978 442 Q CA 1.921 57.636 55.803 -0.147 0.000 0.844 442 Q CB -0.162 28.499 28.738 -0.128 0.000 0.898 442 Q HN 0.563 nan 8.270 nan 0.000 0.426 443 N N 0.518 119.131 118.700 -0.144 0.000 2.244 443 N HA -0.124 4.616 4.740 0.000 0.000 0.183 443 N C 1.556 176.971 175.510 -0.158 0.000 1.016 443 N CA 1.110 54.091 53.050 -0.116 0.000 0.866 443 N CB -0.132 38.308 38.487 -0.079 0.000 0.980 443 N HN 0.320 nan 8.380 nan 0.000 0.430 444 E N 0.126 120.159 120.200 -0.278 0.000 2.047 444 E HA -0.114 4.237 4.350 0.000 0.000 0.191 444 E C 1.760 178.253 176.600 -0.177 0.000 0.987 444 E CA 0.810 57.025 56.400 -0.308 0.000 0.799 444 E CB -0.440 28.985 29.700 -0.457 0.000 0.752 444 E HN 0.452 nan 8.360 nan 0.000 0.449 445 Y N 1.056 121.238 120.300 -0.196 0.000 2.274 445 Y HA -0.135 4.415 4.550 0.000 0.000 0.290 445 Y C 2.546 178.380 175.900 -0.110 0.000 1.145 445 Y CA 1.148 59.172 58.100 -0.128 0.000 1.203 445 Y CB -0.108 38.281 38.460 -0.120 0.000 0.984 445 Y HN -0.024 nan 8.280 nan 0.000 0.533 446 R N -0.730 119.778 120.500 0.013 0.000 2.057 446 R HA -0.065 4.275 4.340 0.000 0.000 0.229 446 R C 2.500 178.774 176.300 -0.044 0.000 1.136 446 R CA 1.055 57.143 56.100 -0.020 0.000 0.952 446 R CB -0.613 29.670 30.300 -0.028 0.000 0.848 446 R HN 0.272 nan 8.270 nan 0.000 0.430 447 A N 1.565 124.345 122.820 -0.067 0.000 1.972 447 A HA -0.179 4.141 4.320 0.000 0.000 0.219 447 A C 1.603 179.134 177.584 -0.089 0.000 1.169 447 A CA 1.709 53.703 52.037 -0.072 0.000 0.635 447 A CB -0.157 18.792 19.000 -0.085 0.000 0.810 447 A HN 0.488 nan 8.150 nan 0.000 0.446 448 R N -3.367 117.057 120.500 -0.127 0.000 2.494 448 R HA 0.348 4.688 4.340 0.000 0.000 0.400 448 R C 0.622 176.824 176.300 -0.164 0.000 0.856 448 R CA 0.292 56.314 56.100 -0.129 0.000 1.112 448 R CB -1.047 29.168 30.300 -0.141 0.000 1.697 448 R HN 0.929 nan 8.270 nan 0.000 0.544 449 G N 0.262 108.948 108.800 -0.189 0.000 2.350 449 G HA2 0.071 4.031 3.960 0.000 0.000 0.298 449 G HA3 0.071 4.031 3.960 0.000 0.000 0.298 449 G C 0.259 174.839 174.900 -0.532 0.000 1.037 449 G CA 0.371 45.324 45.100 -0.245 0.000 1.074 449 G HN 1.016 nan 8.290 nan 0.000 0.511 450 G N -2.317 105.856 108.800 -1.045 0.000 2.347 450 G HA2 0.557 4.517 3.960 0.000 0.000 0.303 450 G HA3 0.557 4.517 3.960 0.000 0.000 0.303 450 G C -0.760 173.732 174.900 -0.679 0.000 1.481 450 G CA 0.240 44.665 45.100 -1.125 0.000 0.914 450 G HN 2.027 nan 8.290 nan 0.000 0.638 451 C N 2.537 121.673 119.300 -0.273 0.000 3.044 451 C HA 0.604 5.064 4.460 0.000 0.000 0.382 451 C C -2.565 172.374 174.990 -0.086 0.000 1.071 451 C CA -1.080 57.882 59.018 -0.094 0.000 1.296 451 C CB 1.001 28.748 27.740 0.012 0.000 1.730 451 C HN 0.721 nan 8.230 nan 0.000 0.513 452 P HA 0.338 nan 4.420 nan 0.000 0.262 452 P C -0.549 176.657 177.300 -0.158 0.000 1.199 452 P CA 0.783 63.485 63.100 -0.663 0.000 0.763 452 P CB 0.795 32.057 31.700 -0.729 0.000 0.790 453 A N 2.977 125.773 122.820 -0.041 0.000 2.402 453 A HA 0.351 4.671 4.320 0.000 0.000 0.291 453 A C -0.819 176.838 177.584 0.122 0.000 1.051 453 A CA -0.577 51.529 52.037 0.115 0.000 0.716 453 A CB 1.061 20.241 19.000 0.300 0.000 1.223 453 A HN 0.429 nan 8.150 nan 0.000 0.425 454 D N 2.471 122.929 120.400 0.097 0.000 2.456 454 D HA 0.104 4.744 4.640 0.000 0.000 0.219 454 D C 0.870 177.313 176.300 0.239 0.000 1.126 454 D CA -0.458 53.639 54.000 0.161 0.000 0.890 454 D CB 0.292 41.153 40.800 0.100 0.000 1.025 454 D HN 0.628 nan 8.370 nan 0.000 0.511 455 W N 4.675 126.019 121.300 0.074 0.000 2.318 455 W HA -0.223 4.437 4.660 0.000 0.000 0.313 455 W C 1.757 178.311 176.519 0.058 0.000 1.221 455 W CA 1.208 58.581 57.345 0.048 0.000 1.266 455 W CB -0.082 29.387 29.460 0.017 0.000 1.150 455 W HN 0.470 nan 8.180 nan 0.000 0.496 456 I N -0.965 119.902 120.570 0.496 0.000 2.423 456 I HA -0.296 3.874 4.170 0.000 0.000 0.254 456 I C 1.672 177.872 176.117 0.138 0.000 1.151 456 I CA 1.361 62.877 61.300 0.360 0.000 1.421 456 I CB -0.659 37.571 38.000 0.383 0.000 1.079 456 I HN 0.137 nan 8.210 nan 0.000 0.431 457 W N 0.174 121.456 121.300 -0.030 0.000 2.683 457 W HA 0.160 4.820 4.660 0.000 0.000 0.267 457 W C 2.239 178.647 176.519 -0.184 0.000 1.243 457 W CA 0.128 57.424 57.345 -0.081 0.000 1.380 457 W CB -0.236 29.197 29.460 -0.045 0.000 1.063 457 W HN -0.083 nan 8.180 nan 0.000 0.599 458 L N -0.141 121.034 121.223 -0.081 0.000 2.156 458 L HA -0.042 4.298 4.340 0.000 0.000 0.208 458 L C 0.637 177.296 176.870 -0.351 0.000 1.095 458 L CA 0.460 55.128 54.840 -0.285 0.000 0.770 458 L CB -0.959 40.850 42.059 -0.416 0.000 0.914 458 L HN -0.403 nan 8.230 nan 0.000 0.439 459 V N 1.393 121.014 119.914 -0.489 0.000 2.439 459 V HA 0.122 4.242 4.120 0.000 0.000 0.271 459 V C -1.852 174.055 176.094 -0.311 0.000 1.040 459 V CA -1.362 60.646 62.300 -0.488 0.000 1.002 459 V CB 0.274 31.586 31.823 -0.851 0.000 1.000 459 V HN 0.045 nan 8.190 nan 0.000 0.477 460 P HA 0.047 nan 4.420 nan 0.000 0.267 460 P C -1.699 175.488 177.300 -0.188 0.000 1.201 460 P CA -0.819 62.172 63.100 -0.181 0.000 0.775 460 P CB 0.069 31.716 31.700 -0.087 0.000 0.854 461 P HA -0.048 nan 4.420 nan 0.000 0.239 461 P C -0.218 176.986 177.300 -0.160 0.000 1.184 461 P CA 0.936 63.921 63.100 -0.192 0.000 0.760 461 P CB 0.099 31.669 31.700 -0.216 0.000 0.884 462 V N -5.409 114.407 119.914 -0.163 0.000 3.087 462 V HA 0.540 4.660 4.120 0.000 0.000 0.306 462 V C 0.076 176.145 176.094 -0.042 0.000 1.187 462 V CA -0.651 61.582 62.300 -0.111 0.000 0.999 462 V CB 1.324 33.067 31.823 -0.134 0.000 1.049 462 V HN 0.049 nan 8.190 nan 0.000 0.431 463 S N 0.431 116.123 115.700 -0.015 0.000 3.550 463 S HA -0.180 4.290 4.470 0.000 0.000 0.372 463 S C 1.344 175.920 174.600 -0.040 0.000 0.966 463 S CA 1.095 59.299 58.200 0.006 0.000 1.229 463 S CB -2.104 61.163 63.200 0.113 0.000 0.917 463 S HN 2.480 nan 8.310 nan 0.000 0.496 464 G N 2.710 111.456 108.800 -0.089 0.000 2.587 464 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 464 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 464 G C 1.579 176.323 174.900 -0.259 0.000 1.240 464 G CA 1.468 46.510 45.100 -0.097 0.000 0.794 464 G HN 1.679 nan 8.290 nan 0.000 0.580 465 S N 0.289 115.534 115.700 -0.759 0.000 2.507 465 S HA 0.038 4.508 4.470 0.000 0.000 0.235 465 S C 2.103 176.617 174.600 -0.144 0.000 0.988 465 S CA 0.642 58.245 58.200 -0.996 0.000 0.944 465 S CB -0.100 62.352 63.200 -1.246 0.000 0.762 465 S HN 0.186 nan 8.310 nan 0.000 0.526 466 I N 2.798 123.324 120.570 -0.073 0.000 2.546 466 I HA 0.006 4.176 4.170 0.000 0.000 0.255 466 I C 1.558 177.754 176.117 0.133 0.000 1.163 466 I CA 0.872 62.208 61.300 0.059 0.000 1.457 466 I CB -1.885 36.170 38.000 0.092 0.000 1.092 466 I HN 0.514 nan 8.210 nan 0.000 0.434 467 T N -0.661 113.959 114.554 0.110 0.000 2.909 467 T HA 0.285 4.635 4.350 0.000 0.000 0.286 467 T C -1.314 173.527 174.700 0.236 0.000 1.002 467 T CA -1.707 60.476 62.100 0.139 0.000 1.074 467 T CB 2.141 71.037 68.868 0.046 0.000 0.984 467 T HN -0.052 nan 8.240 nan 0.000 0.495 468 P HA -0.064 nan 4.420 nan 0.000 0.220 468 P C 1.693 179.192 177.300 0.331 0.000 1.148 468 P CA 0.494 63.778 63.100 0.308 0.000 0.803 468 P CB -0.123 31.694 31.700 0.194 0.000 0.782 469 V N -0.241 119.812 119.914 0.230 0.000 2.469 469 V HA -0.234 3.886 4.120 0.000 0.000 0.251 469 V C 2.401 178.582 176.094 0.144 0.000 1.064 469 V CA 1.760 64.165 62.300 0.175 0.000 1.066 469 V CB -1.547 30.305 31.823 0.049 0.000 0.667 469 V HN -0.010 nan 8.190 nan 0.000 0.461 470 F N 1.295 121.223 119.950 -0.036 0.000 2.134 470 F HA -0.209 4.318 4.527 0.000 0.000 0.299 470 F C 2.173 178.113 175.800 0.234 0.000 1.097 470 F CA 2.152 60.141 58.000 -0.017 0.000 1.264 470 F CB -0.303 38.549 39.000 -0.247 0.000 1.001 470 F HN 0.345 nan 8.300 nan 0.000 0.479 471 H N -1.517 117.889 119.070 0.560 0.000 2.539 471 H HA 0.136 4.692 4.556 0.000 0.000 0.267 471 H C 0.282 175.849 175.328 0.399 0.000 0.982 471 H CA 0.175 56.500 56.048 0.462 0.000 1.146 471 H CB -0.157 29.871 29.762 0.443 0.000 1.382 471 H HN 0.149 nan 8.280 nan 0.000 0.577 472 Q N 1.992 122.060 119.800 0.447 0.000 2.331 472 Q HA 0.136 4.476 4.340 0.000 0.000 0.257 472 Q C -0.732 175.476 176.000 0.347 0.000 0.957 472 Q CA -0.371 55.633 55.803 0.335 0.000 0.923 472 Q CB 0.553 29.454 28.738 0.271 0.000 1.212 472 Q HN 0.342 nan 8.270 nan 0.000 0.443 473 E N 3.824 124.169 120.200 0.241 0.000 2.360 473 E HA 0.298 4.648 4.350 0.000 0.000 0.269 473 E C -0.541 176.163 176.600 0.174 0.000 1.022 473 E CA 0.262 56.765 56.400 0.171 0.000 0.887 473 E CB 0.714 30.500 29.700 0.143 0.000 0.990 473 E HN 0.610 nan 8.360 nan 0.000 0.426 474 M N 2.184 121.898 119.600 0.190 0.000 2.550 474 M HA 0.399 4.879 4.480 0.000 0.000 0.292 474 M C -1.420 174.995 176.300 0.190 0.000 1.221 474 M CA -1.194 54.242 55.300 0.226 0.000 0.873 474 M CB 1.421 34.209 32.600 0.312 0.000 1.727 474 M HN 0.111 nan 8.290 nan 0.000 0.459 475 L N 2.278 123.640 121.223 0.230 0.000 2.307 475 L HA 0.505 4.845 4.340 0.000 0.000 0.284 475 L C -0.547 176.455 176.870 0.220 0.000 1.023 475 L CA -0.166 54.821 54.840 0.246 0.000 0.810 475 L CB 1.128 43.378 42.059 0.319 0.000 1.231 475 L HN 0.677 nan 8.230 nan 0.000 0.423 476 N N 3.407 122.221 118.700 0.190 0.000 2.501 476 N HA 0.464 5.204 4.740 0.000 0.000 0.245 476 N C -1.492 174.111 175.510 0.155 0.000 0.974 476 N CA -0.262 52.833 53.050 0.075 0.000 0.941 476 N CB 0.436 38.973 38.487 0.084 0.000 1.122 476 N HN 0.384 nan 8.380 nan 0.000 0.507 477 Y N 0.156 120.483 120.300 0.046 0.000 2.553 477 Y HA 0.615 5.165 4.550 0.000 0.000 0.347 477 Y C -0.834 175.047 175.900 -0.031 0.000 1.019 477 Y CA -1.441 56.665 58.100 0.010 0.000 1.032 477 Y CB 0.662 39.144 38.460 0.036 0.000 1.284 477 Y HN -0.032 nan 8.280 nan 0.000 0.466 478 V N 4.836 124.752 119.914 0.004 0.000 2.353 478 V HA 0.242 4.362 4.120 0.000 0.000 0.264 478 V C 0.376 176.378 176.094 -0.154 0.000 1.049 478 V CA -0.304 61.799 62.300 -0.328 0.000 0.896 478 V CB -0.226 31.199 31.823 -0.664 0.000 1.025 478 V HN 0.758 nan 8.190 nan 0.000 0.475 479 L N 2.960 124.177 121.223 -0.010 0.000 2.985 479 L HA 0.671 5.011 4.340 0.000 0.000 0.201 479 L C 0.522 177.429 176.870 0.062 0.000 1.291 479 L CA -0.290 54.599 54.840 0.080 0.000 1.141 479 L CB 0.955 43.095 42.059 0.134 0.000 2.131 479 L HN 0.618 nan 8.230 nan 0.000 0.538 480 S N -1.073 114.691 115.700 0.106 0.000 2.543 480 S HA 0.467 4.937 4.470 0.000 0.000 0.273 480 S C -2.706 171.980 174.600 0.144 0.000 1.152 480 S CA -0.992 57.286 58.200 0.131 0.000 0.910 480 S CB 1.746 65.008 63.200 0.104 0.000 1.105 480 S HN 0.132 nan 8.310 nan 0.000 0.465 481 P HA 0.415 nan 4.420 nan 0.000 0.269 481 P C -1.277 176.046 177.300 0.038 0.000 1.217 481 P CA -0.005 63.130 63.100 0.058 0.000 0.783 481 P CB 0.211 31.890 31.700 -0.034 0.000 0.898 482 F N 0.617 120.452 119.950 -0.191 0.000 2.668 482 F HA 0.452 4.979 4.527 0.000 0.000 0.309 482 F C -1.547 174.087 175.800 -0.278 0.000 1.117 482 F CA -0.761 57.059 58.000 -0.300 0.000 0.951 482 F CB 1.285 40.087 39.000 -0.331 0.000 1.323 482 F HN 0.151 nan 8.300 nan 0.000 0.451 483 Y N 4.186 124.069 120.300 -0.695 0.000 2.417 483 Y HA 0.419 4.969 4.550 0.000 0.000 0.336 483 Y C -0.930 174.759 175.900 -0.352 0.000 0.961 483 Y CA -0.948 56.940 58.100 -0.354 0.000 1.215 483 Y CB 0.201 38.416 38.460 -0.408 0.000 1.120 483 Y HN 0.362 nan 8.280 nan 0.000 0.499 484 Y N 1.125 121.550 120.300 0.207 0.000 2.374 484 Y HA 0.350 4.900 4.550 0.000 0.000 0.322 484 Y C -0.171 175.805 175.900 0.126 0.000 1.275 484 Y CA -0.870 57.349 58.100 0.198 0.000 1.307 484 Y CB 0.661 39.263 38.460 0.237 0.000 1.282 484 Y HN 0.377 nan 8.280 nan 0.000 0.509 485 Y N 0.669 121.140 120.300 0.285 0.000 2.316 485 Y HA 0.345 4.895 4.550 0.000 0.000 0.324 485 Y C -0.009 175.957 175.900 0.111 0.000 1.267 485 Y CA -1.113 57.066 58.100 0.133 0.000 1.311 485 Y CB 0.698 39.205 38.460 0.079 0.000 1.267 485 Y HN 0.438 nan 8.280 nan 0.000 0.516 486 Q N 1.244 121.168 119.800 0.206 0.000 2.433 486 Q HA 0.464 4.804 4.340 0.000 0.000 0.279 486 Q C -1.180 174.790 176.000 -0.050 0.000 1.105 486 Q CA -1.170 54.673 55.803 0.067 0.000 0.815 486 Q CB 2.652 31.411 28.738 0.035 0.000 1.403 486 Q HN 0.390 nan 8.270 nan 0.000 0.435 487 I N 1.917 122.429 120.570 -0.098 0.000 2.556 487 I HA -0.007 4.163 4.170 0.000 0.000 0.284 487 I C 0.495 176.412 176.117 -0.333 0.000 1.114 487 I CA 0.379 61.565 61.300 -0.190 0.000 1.418 487 I CB 0.244 38.145 38.000 -0.164 0.000 1.394 487 I HN 0.613 nan 8.210 nan 0.000 0.552 488 E N 8.813 128.711 120.200 -0.503 0.000 2.606 488 E HA -0.068 4.282 4.350 0.000 0.000 0.248 488 E C -1.234 174.790 176.600 -0.960 0.000 1.005 488 E CA -0.954 54.896 56.400 -0.916 0.000 0.946 488 E CB 0.321 29.160 29.700 -1.435 0.000 0.928 488 E HN 0.412 nan 8.360 nan 0.000 0.494 489 P HA -0.221 nan 4.420 nan 0.000 0.216 489 P C 0.974 177.779 177.300 -0.826 0.000 1.154 489 P CA 1.663 64.256 63.100 -0.845 0.000 0.865 489 P CB -0.218 30.723 31.700 -1.266 0.000 0.789 490 W N 0.751 121.514 121.300 -0.895 0.000 2.721 490 W HA 0.127 4.787 4.660 0.000 0.000 0.245 490 W C 1.570 178.067 176.519 -0.037 0.000 1.276 490 W CA 0.361 57.465 57.345 -0.402 0.000 1.342 490 W CB -1.189 28.215 29.460 -0.093 0.000 1.135 490 W HN -0.074 nan 8.180 nan 0.000 0.654 491 K N 0.218 120.433 120.400 -0.309 0.000 2.334 491 K HA 0.062 4.382 4.320 0.000 0.000 0.195 491 K C 1.646 178.211 176.600 -0.059 0.000 1.045 491 K CA 1.451 57.651 56.287 -0.145 0.000 1.004 491 K CB 0.039 32.367 32.500 -0.287 0.000 0.837 491 K HN 0.259 nan 8.250 nan 0.000 0.510 492 T N -2.811 111.686 114.554 -0.096 0.000 3.044 492 T HA 0.057 4.407 4.350 0.000 0.000 0.260 492 T C 0.131 174.837 174.700 0.011 0.000 1.019 492 T CA -0.357 61.716 62.100 -0.045 0.000 0.921 492 T CB -0.227 68.588 68.868 -0.087 0.000 1.053 492 T HN 0.070 nan 8.240 nan 0.000 0.533 493 H N 1.596 120.637 119.070 -0.048 0.000 2.767 493 H HA 0.474 5.030 4.556 0.000 0.000 0.316 493 H C -0.325 175.006 175.328 0.006 0.000 1.059 493 H CA -0.848 55.172 56.048 -0.046 0.000 1.461 493 H CB 0.156 29.885 29.762 -0.054 0.000 1.475 493 H HN 0.268 nan 8.280 nan 0.000 0.531 494 I N 6.458 126.728 120.570 -0.501 0.000 2.281 494 I HA 0.037 4.207 4.170 0.000 0.000 0.293 494 I C -0.208 175.664 176.117 -0.409 0.000 1.085 494 I CA -0.467 60.676 61.300 -0.262 0.000 1.257 494 I CB 0.077 37.984 38.000 -0.155 0.000 1.430 494 I HN 0.532 nan 8.210 nan 0.000 0.489 495 W N 5.562 126.793 121.300 -0.115 0.000 2.170 495 W HA 0.085 4.745 4.660 0.000 0.000 0.342 495 W C 1.421 177.947 176.519 0.012 0.000 1.294 495 W CA -0.006 57.365 57.345 0.043 0.000 1.246 495 W CB 0.428 29.980 29.460 0.154 0.000 1.156 495 W HN 0.535 nan 8.180 nan 0.000 0.572 496 Q N 2.013 121.994 119.800 0.302 0.000 2.123 496 Q HA 0.029 4.369 4.340 0.000 0.000 0.193 496 Q C 1.283 177.397 176.000 0.189 0.000 0.981 496 Q CA 0.932 56.841 55.803 0.177 0.000 0.833 496 Q CB -0.554 28.257 28.738 0.122 0.000 0.914 496 Q HN 0.643 nan 8.270 nan 0.000 0.484 497 N N 0.000 118.835 118.700 0.225 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.139 53.050 0.148 0.000 0.885 497 N CB 0.000 38.557 38.487 0.117 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667