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 2nod_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.191 176.000 0.318 0.000 1.003 77 Q CA 0.000 55.853 55.803 0.084 0.000 1.022 77 Q CB 0.000 28.642 28.738 -0.159 0.000 1.108 78 Y N -1.674 118.774 120.300 0.247 0.000 2.750 78 Y HA 0.751 5.301 4.550 0.000 0.000 0.335 78 Y C -1.589 174.413 175.900 0.171 0.000 1.252 78 Y CA -1.421 56.841 58.100 0.269 0.000 1.064 78 Y CB 0.674 39.240 38.460 0.176 0.000 1.321 78 Y HN 0.061 nan 8.280 nan 0.000 0.451 79 V N 2.609 122.820 119.914 0.494 0.000 2.448 79 V HA 0.548 4.668 4.120 0.000 0.000 0.295 79 V C -0.104 176.152 176.094 0.271 0.000 1.025 79 V CA -0.902 61.526 62.300 0.214 0.000 0.859 79 V CB 1.462 33.173 31.823 -0.186 0.000 0.988 79 V HN 0.794 nan 8.190 nan 0.000 0.431 80 R N 3.954 124.625 120.500 0.285 0.000 2.389 80 R HA 0.612 4.952 4.340 0.000 0.000 0.295 80 R C -1.063 175.254 176.300 0.029 0.000 1.075 80 R CA -0.129 56.084 56.100 0.187 0.000 1.005 80 R CB 0.560 31.001 30.300 0.235 0.000 0.987 80 R HN 0.678 nan 8.270 nan 0.000 0.452 81 I N 3.665 124.192 120.570 -0.071 0.000 2.582 81 I HA 0.308 4.478 4.170 0.000 0.000 0.292 81 I C -0.600 175.430 176.117 -0.146 0.000 1.066 81 I CA -0.771 60.485 61.300 -0.074 0.000 1.053 81 I CB 2.196 40.155 38.000 -0.069 0.000 1.241 81 I HN 0.519 nan 8.210 nan 0.000 0.421 82 K N 5.285 125.592 120.400 -0.155 0.000 2.318 82 K HA 0.367 4.687 4.320 0.000 0.000 0.249 82 K C -0.972 175.433 176.600 -0.325 0.000 0.942 82 K CA -0.696 55.389 56.287 -0.338 0.000 0.808 82 K CB 1.783 33.914 32.500 -0.615 0.000 1.189 82 K HN 0.544 nan 8.250 nan 0.000 0.428 83 N N 3.901 122.406 118.700 -0.325 0.000 2.558 83 N HA 0.086 4.826 4.740 0.000 0.000 0.242 83 N C -0.262 175.124 175.510 -0.207 0.000 0.979 83 N CA -0.365 52.590 53.050 -0.158 0.000 0.931 83 N CB 0.407 38.844 38.487 -0.082 0.000 1.122 83 N HN 0.632 nan 8.380 nan 0.000 0.508 84 W N 2.540 123.844 121.300 0.005 0.000 2.662 84 W HA 0.099 4.759 4.660 0.000 0.000 0.249 84 W C 1.889 178.415 176.519 0.012 0.000 1.251 84 W CA 0.251 57.603 57.345 0.013 0.000 1.277 84 W CB 0.114 29.584 29.460 0.016 0.000 1.140 84 W HN 0.632 nan 8.180 nan 0.000 0.645 85 G N -1.579 107.299 108.800 0.130 0.000 2.641 85 G HA2 -0.074 3.886 3.960 0.000 0.000 0.207 85 G HA3 -0.074 3.886 3.960 0.000 0.000 0.207 85 G C 1.534 176.459 174.900 0.041 0.000 1.137 85 G CA 0.628 45.782 45.100 0.090 0.000 0.824 85 G HN 0.146 nan 8.290 nan 0.000 0.547 86 S N -0.306 115.395 115.700 0.002 0.000 2.470 86 S HA 0.306 4.776 4.470 0.000 0.000 0.222 86 S C 1.963 176.533 174.600 -0.050 0.000 1.024 86 S CA 1.046 59.234 58.200 -0.019 0.000 0.931 86 S CB 0.259 63.441 63.200 -0.031 0.000 0.791 86 S HN 1.189 nan 8.310 nan 0.000 0.513 87 G N 1.810 110.549 108.800 -0.102 0.000 2.199 87 G HA2 -0.296 3.664 3.960 0.000 0.000 0.254 87 G HA3 -0.296 3.664 3.960 0.000 0.000 0.254 87 G C -0.014 174.780 174.900 -0.176 0.000 0.982 87 G CA 0.346 45.349 45.100 -0.161 0.000 0.632 87 G HN 0.533 nan 8.290 nan 0.000 0.529 88 E N 0.436 120.554 120.200 -0.138 0.000 2.481 88 E HA 0.341 4.691 4.350 0.000 0.000 0.263 88 E C 0.306 176.792 176.600 -0.190 0.000 0.992 88 E CA 0.146 56.466 56.400 -0.133 0.000 0.938 88 E CB 0.125 29.765 29.700 -0.100 0.000 0.933 88 E HN 0.476 nan 8.360 nan 0.000 0.453 89 I N 4.802 125.251 120.570 -0.201 0.000 2.509 89 I HA 0.365 4.535 4.170 0.000 0.000 0.293 89 I C -0.512 175.375 176.117 -0.383 0.000 1.020 89 I CA -0.767 60.367 61.300 -0.276 0.000 1.088 89 I CB 1.338 39.189 38.000 -0.249 0.000 1.267 89 I HN 0.336 nan 8.210 nan 0.000 0.430 90 L N 4.725 125.690 121.223 -0.431 0.000 2.354 90 L HA 0.543 4.884 4.340 0.000 0.000 0.264 90 L C -1.177 175.327 176.870 -0.610 0.000 1.008 90 L CA -0.835 53.721 54.840 -0.473 0.000 0.819 90 L CB 2.171 44.092 42.059 -0.230 0.000 1.339 90 L HN 0.578 nan 8.230 nan 0.000 0.420 91 H N 0.003 118.930 119.070 -0.238 0.000 2.638 91 H HA 0.201 4.758 4.556 0.000 0.000 0.317 91 H C -0.978 174.237 175.328 -0.188 0.000 1.006 91 H CA -0.686 55.129 56.048 -0.388 0.000 1.222 91 H CB 1.421 30.611 29.762 -0.953 0.000 1.419 91 H HN 0.378 nan 8.280 nan 0.000 0.489 92 D N 2.442 122.865 120.400 0.039 0.000 2.343 92 D HA 0.020 4.660 4.640 0.000 0.000 0.255 92 D C 0.301 176.759 176.300 0.264 0.000 1.187 92 D CA 0.305 54.371 54.000 0.110 0.000 0.875 92 D CB 1.226 42.057 40.800 0.052 0.000 1.136 92 D HN 0.613 nan 8.370 nan 0.000 0.469 93 T N 3.588 118.238 114.554 0.160 0.000 3.018 93 T HA -0.036 4.314 4.350 0.000 0.000 0.246 93 T C 1.849 176.510 174.700 -0.065 0.000 1.026 93 T CA -0.237 61.915 62.100 0.087 0.000 1.081 93 T CB 0.189 69.118 68.868 0.102 0.000 0.970 93 T HN 0.240 nan 8.240 nan 0.000 0.475 94 L N 2.327 123.560 121.223 0.016 0.000 2.127 94 L HA -0.158 4.182 4.340 0.000 0.000 0.211 94 L C 2.348 179.185 176.870 -0.055 0.000 1.089 94 L CA 1.955 56.793 54.840 -0.003 0.000 0.757 94 L CB -0.587 41.492 42.059 0.035 0.000 0.899 94 L HN 0.569 nan 8.230 nan 0.000 0.434 95 H N -3.698 115.302 119.070 -0.115 0.000 2.539 95 H HA -0.209 4.347 4.556 0.000 0.000 0.292 95 H C 1.774 177.054 175.328 -0.080 0.000 1.069 95 H CA 1.875 57.857 56.048 -0.111 0.000 1.244 95 H CB -0.842 28.841 29.762 -0.131 0.000 1.365 95 H HN 0.564 nan 8.280 nan 0.000 0.575 96 H N 0.994 119.834 119.070 -0.383 0.000 2.428 96 H HA 0.051 4.607 4.556 0.000 0.000 0.296 96 H C 1.205 176.479 175.328 -0.091 0.000 1.062 96 H CA 0.782 56.682 56.048 -0.246 0.000 1.350 96 H CB 0.299 29.912 29.762 -0.250 0.000 1.403 96 H HN 0.294 nan 8.280 nan 0.000 0.533 97 K N 1.346 121.775 120.400 0.047 0.000 2.630 97 K HA 0.186 4.506 4.320 0.000 0.000 0.204 97 K C 0.398 177.018 176.600 0.034 0.000 1.024 97 K CA -0.009 56.301 56.287 0.038 0.000 1.157 97 K CB 0.098 32.615 32.500 0.028 0.000 0.899 97 K HN 0.171 nan 8.250 nan 0.000 0.501 98 A N 1.390 124.235 122.820 0.043 0.000 2.386 98 A HA 0.156 4.476 4.320 0.000 0.000 0.248 98 A C 0.457 178.063 177.584 0.037 0.000 1.082 98 A CA -0.116 51.947 52.037 0.045 0.000 0.789 98 A CB 0.178 19.216 19.000 0.064 0.000 1.025 98 A HN 0.219 nan 8.150 nan 0.000 0.490 99 T N 1.946 116.518 114.554 0.030 0.000 2.791 99 T HA 0.228 4.579 4.350 0.000 0.000 0.323 99 T C 1.150 175.865 174.700 0.024 0.000 1.082 99 T CA 0.405 62.519 62.100 0.023 0.000 1.084 99 T CB 0.158 69.037 68.868 0.019 0.000 0.992 99 T HN 0.762 nan 8.240 nan 0.000 0.547 109 C N 5.708 125.014 119.300 0.010 0.000 2.648 109 C HA 0.266 4.726 4.460 0.000 0.000 0.419 109 C C 1.927 176.923 174.990 0.011 0.000 1.352 109 C CA -0.422 58.603 59.018 0.012 0.000 1.816 109 C CB -0.651 27.095 27.740 0.010 0.000 2.598 109 C HN 0.874 nan 8.230 nan 0.000 0.598 110 L N 4.806 126.038 121.223 0.016 0.000 2.313 110 L HA 0.081 4.421 4.340 0.000 0.000 0.214 110 L C 2.553 179.447 176.870 0.041 0.000 1.119 110 L CA 1.743 56.595 54.840 0.019 0.000 0.809 110 L CB -1.787 40.283 42.059 0.019 0.000 0.933 110 L HN 1.115 nan 8.230 nan 0.000 0.449 111 G N 0.242 109.070 108.800 0.047 0.000 3.010 111 G HA2 -0.489 3.471 3.960 0.000 0.000 0.260 111 G HA3 -0.489 3.471 3.960 0.000 0.000 0.260 111 G C 1.751 176.713 174.900 0.103 0.000 1.068 111 G CA 1.706 46.848 45.100 0.070 0.000 0.731 111 G HN 0.440 nan 8.290 nan 0.000 0.663 112 S N -0.251 115.507 115.700 0.097 0.000 2.515 112 S HA 0.143 4.613 4.470 0.000 0.000 0.231 112 S C 1.109 175.798 174.600 0.148 0.000 0.987 112 S CA -0.278 57.998 58.200 0.127 0.000 0.936 112 S CB -0.275 62.985 63.200 0.100 0.000 0.766 112 S HN 0.217 nan 8.310 nan 0.000 0.528 113 I N 2.354 122.996 120.570 0.121 0.000 2.556 113 I HA 0.094 4.264 4.170 0.000 0.000 0.284 113 I C 1.310 177.504 176.117 0.128 0.000 1.114 113 I CA 0.314 61.693 61.300 0.133 0.000 1.418 113 I CB 0.608 38.659 38.000 0.084 0.000 1.394 113 I HN 0.380 nan 8.210 nan 0.000 0.552 114 M N 4.875 124.573 119.600 0.162 0.000 2.216 114 M HA 0.011 4.491 4.480 0.000 0.000 0.264 114 M C 0.431 176.646 176.300 -0.142 0.000 1.080 114 M CA 1.377 56.712 55.300 0.057 0.000 1.153 114 M CB 0.231 32.775 32.600 -0.094 0.000 1.356 114 M HN 0.504 nan 8.290 nan 0.000 0.432 115 N N 1.358 120.003 118.700 -0.092 0.000 2.914 115 N HA 0.313 5.053 4.740 0.000 0.000 0.304 115 N C -2.485 172.954 175.510 -0.118 0.000 1.727 115 N CA -0.873 52.016 53.050 -0.268 0.000 0.986 115 N CB 0.246 38.639 38.487 -0.157 0.000 1.297 115 N HN 0.296 nan 8.380 nan 0.000 0.490 116 P HA 0.152 nan 4.420 nan 0.000 0.272 116 P C 0.520 177.821 177.300 0.003 0.000 1.223 116 P CA -0.232 62.861 63.100 -0.012 0.000 0.784 116 P CB 1.856 33.560 31.700 0.007 0.000 0.923 117 K N 0.540 120.952 120.400 0.021 0.000 2.362 117 K HA -0.066 4.254 4.320 0.000 0.000 0.200 117 K C 1.898 178.537 176.600 0.064 0.000 1.046 117 K CA 1.516 57.823 56.287 0.034 0.000 0.952 117 K CB -0.232 32.280 32.500 0.020 0.000 0.753 117 K HN 0.535 nan 8.250 nan 0.000 0.466 118 S N 0.211 115.949 115.700 0.064 0.000 2.515 118 S HA -0.032 4.438 4.470 0.000 0.000 0.231 118 S C 1.363 176.055 174.600 0.152 0.000 0.987 118 S CA 0.608 58.857 58.200 0.082 0.000 0.936 118 S CB 0.081 63.310 63.200 0.049 0.000 0.766 118 S HN 0.085 nan 8.310 nan 0.000 0.528 119 L N 1.181 122.517 121.223 0.188 0.000 2.906 119 L HA 0.442 4.782 4.340 0.000 0.000 0.255 119 L C 0.070 177.245 176.870 0.509 0.000 1.166 119 L CA 0.437 55.470 54.840 0.323 0.000 0.977 119 L CB 0.512 42.727 42.059 0.260 0.000 1.313 119 L HN 0.172 nan 8.230 nan 0.000 0.549 120 T N -0.470 114.297 114.554 0.356 0.000 2.888 120 T HA 0.547 4.897 4.350 0.000 0.000 0.284 120 T C -0.382 174.421 174.700 0.171 0.000 1.017 120 T CA -0.472 61.804 62.100 0.294 0.000 1.022 120 T CB 2.273 71.220 68.868 0.132 0.000 1.013 120 T HN -0.167 nan 8.240 nan 0.000 0.465 121 R N 1.514 122.071 120.500 0.095 0.000 2.407 121 R HA 0.547 4.887 4.340 0.000 0.000 0.298 121 R C 0.362 176.642 176.300 -0.032 0.000 1.166 121 R CA -0.456 55.583 56.100 -0.103 0.000 1.006 121 R CB 0.194 30.315 30.300 -0.299 0.000 1.145 121 R HN 0.840 nan 8.270 nan 0.000 0.538 122 G N 3.159 111.938 108.800 -0.036 0.000 2.653 122 G HA2 0.297 4.257 3.960 0.000 0.000 0.265 122 G HA3 0.297 4.257 3.960 0.000 0.000 0.265 122 G C -1.923 172.959 174.900 -0.030 0.000 1.237 122 G CA -0.909 44.174 45.100 -0.029 0.000 0.946 122 G HN 0.456 nan 8.290 nan 0.000 0.522 123 P HA 0.303 nan 4.420 nan 0.000 0.272 123 P C -0.069 177.219 177.300 -0.020 0.000 1.248 123 P CA 0.005 63.095 63.100 -0.017 0.000 0.799 123 P CB 0.486 32.174 31.700 -0.020 0.000 0.997 124 R N -0.189 120.302 120.500 -0.015 0.000 2.781 124 R HA 0.348 4.689 4.340 0.000 0.000 0.269 124 R C -0.525 175.760 176.300 -0.026 0.000 1.025 124 R CA -0.574 55.514 56.100 -0.021 0.000 0.914 124 R CB 1.467 31.755 30.300 -0.021 0.000 1.236 124 R HN 0.338 nan 8.270 nan 0.000 0.465 125 D N -0.169 120.213 120.400 -0.030 0.000 2.267 125 D HA 0.135 4.775 4.640 0.000 0.000 0.297 125 D C -0.670 175.607 176.300 -0.039 0.000 1.087 125 D CA 0.586 54.563 54.000 -0.039 0.000 0.864 125 D CB 1.042 41.822 40.800 -0.033 0.000 1.557 125 D HN 0.173 nan 8.370 nan 0.000 0.523 126 K N 1.240 121.623 120.400 -0.028 0.000 2.316 126 K HA 0.518 4.838 4.320 0.000 0.000 0.251 126 K C -2.774 173.817 176.600 -0.016 0.000 0.934 126 K CA -1.755 54.519 56.287 -0.021 0.000 0.802 126 K CB 2.491 34.981 32.500 -0.016 0.000 1.171 126 K HN -0.245 nan 8.250 nan 0.000 0.426 127 P HA -0.081 nan 4.420 nan 0.000 0.266 127 P C -0.407 176.894 177.300 0.001 0.000 1.195 127 P CA -0.084 63.015 63.100 -0.001 0.000 0.768 127 P CB 0.441 32.147 31.700 0.009 0.000 0.838 128 T N 4.906 119.461 114.554 0.003 0.000 2.708 128 T HA 0.054 4.404 4.350 0.000 0.000 0.271 128 T C -1.886 172.821 174.700 0.012 0.000 0.985 128 T CA -1.306 60.800 62.100 0.009 0.000 1.229 128 T CB -0.884 67.997 68.868 0.023 0.000 0.934 128 T HN 0.228 nan 8.240 nan 0.000 0.522 129 P HA -0.073 nan 4.420 nan 0.000 0.263 129 P C 1.460 178.753 177.300 -0.011 0.000 1.175 129 P CA -0.489 62.608 63.100 -0.006 0.000 0.761 129 P CB 0.548 32.240 31.700 -0.013 0.000 0.794 130 L N 2.969 124.186 121.223 -0.009 0.000 2.021 130 L HA -0.220 4.120 4.340 0.000 0.000 0.215 130 L C 2.538 179.384 176.870 -0.039 0.000 1.074 130 L CA 2.445 57.276 54.840 -0.015 0.000 0.760 130 L CB -1.172 40.881 42.059 -0.011 0.000 0.889 130 L HN 0.557 nan 8.230 nan 0.000 0.433 131 E N 0.557 120.730 120.200 -0.045 0.000 2.160 131 E HA -0.270 4.080 4.350 0.000 0.000 0.195 131 E C 1.549 178.083 176.600 -0.110 0.000 0.991 131 E CA 1.872 58.235 56.400 -0.063 0.000 0.810 131 E CB -0.336 29.334 29.700 -0.050 0.000 0.742 131 E HN 0.836 nan 8.360 nan 0.000 0.466 132 E N 0.363 120.482 120.200 -0.134 0.000 2.290 132 E HA 0.032 4.382 4.350 0.000 0.000 0.197 132 E C 2.383 178.765 176.600 -0.365 0.000 0.948 132 E CA -0.178 56.052 56.400 -0.283 0.000 0.895 132 E CB -0.383 29.195 29.700 -0.203 0.000 0.865 132 E HN 0.110 nan 8.360 nan 0.000 0.486 133 L N 1.258 122.413 121.223 -0.115 0.000 2.141 133 L HA -0.052 4.288 4.340 0.000 0.000 0.209 133 L C 2.069 178.948 176.870 0.016 0.000 1.094 133 L CA 1.141 55.992 54.840 0.019 0.000 0.763 133 L CB -0.498 41.602 42.059 0.069 0.000 0.908 133 L HN 0.340 nan 8.230 nan 0.000 0.437 134 L N 0.821 122.014 121.223 -0.049 0.000 2.005 134 L HA -0.075 4.265 4.340 0.000 0.000 0.207 134 L C -0.149 176.698 176.870 -0.039 0.000 1.072 134 L CA 1.880 56.688 54.840 -0.053 0.000 0.744 134 L CB -2.270 39.755 42.059 -0.057 0.000 0.895 134 L HN 0.157 nan 8.230 nan 0.000 0.433 135 P HA -0.103 nan 4.420 nan 0.000 0.218 135 P C 1.240 178.597 177.300 0.094 0.000 1.149 135 P CA 1.163 64.248 63.100 -0.026 0.000 0.817 135 P CB -0.023 31.624 31.700 -0.089 0.000 0.785 136 H N -0.245 118.865 119.070 0.067 0.000 2.299 136 H HA 0.036 4.592 4.556 0.000 0.000 0.302 136 H C 2.035 177.464 175.328 0.167 0.000 1.078 136 H CA 1.450 57.562 56.048 0.107 0.000 1.323 136 H CB -1.179 28.642 29.762 0.097 0.000 1.381 136 H HN 0.009 nan 8.280 nan 0.000 0.498 137 A N 1.194 124.184 122.820 0.282 0.000 1.883 137 A HA -0.149 4.171 4.320 0.000 0.000 0.217 137 A C 2.665 180.369 177.584 0.199 0.000 1.186 137 A CA 1.697 53.876 52.037 0.238 0.000 0.624 137 A CB -0.913 18.009 19.000 -0.130 0.000 0.822 137 A HN 0.347 nan 8.150 nan 0.000 0.444 138 I N -0.472 120.163 120.570 0.108 0.000 2.226 138 I HA -0.253 3.917 4.170 0.000 0.000 0.245 138 I C 2.554 178.759 176.117 0.146 0.000 1.100 138 I CA 1.818 63.173 61.300 0.093 0.000 1.374 138 I CB -0.474 37.554 38.000 0.047 0.000 1.057 138 I HN 0.511 nan 8.210 nan 0.000 0.413 139 E N 1.857 122.166 120.200 0.182 0.000 2.058 139 E HA -0.297 4.053 4.350 0.000 0.000 0.194 139 E C 2.097 178.833 176.600 0.228 0.000 0.997 139 E CA 1.736 58.249 56.400 0.189 0.000 0.801 139 E CB -0.643 29.181 29.700 0.206 0.000 0.746 139 E HN 0.389 nan 8.360 nan 0.000 0.450 140 F N 1.033 121.074 119.950 0.153 0.000 2.046 140 F HA -0.124 4.403 4.527 0.000 0.000 0.297 140 F C 2.075 177.968 175.800 0.155 0.000 1.123 140 F CA 1.940 60.044 58.000 0.173 0.000 1.199 140 F CB -0.664 38.459 39.000 0.206 0.000 0.972 140 F HN 0.105 nan 8.300 nan 0.000 0.474 141 I N 0.577 121.076 120.570 -0.119 0.000 2.264 141 I HA -0.352 3.818 4.170 0.000 0.000 0.248 141 I C 2.182 178.264 176.117 -0.058 0.000 1.111 141 I CA 1.424 62.621 61.300 -0.171 0.000 1.382 141 I CB -0.697 37.349 38.000 0.076 0.000 1.060 141 I HN 0.262 nan 8.210 nan 0.000 0.418 142 N N 0.299 119.027 118.700 0.047 0.000 2.309 142 N HA -0.202 4.538 4.740 0.000 0.000 0.182 142 N C 1.863 177.337 175.510 -0.060 0.000 1.018 142 N CA 1.038 54.150 53.050 0.103 0.000 0.876 142 N CB -0.045 38.548 38.487 0.177 0.000 0.972 142 N HN 0.538 nan 8.380 nan 0.000 0.434 143 Q N -0.204 119.541 119.800 -0.092 0.000 2.062 143 Q HA -0.142 4.198 4.340 0.000 0.000 0.196 143 Q C 1.943 177.709 176.000 -0.390 0.000 0.967 143 Q CA 0.898 56.645 55.803 -0.093 0.000 0.832 143 Q CB -0.083 28.716 28.738 0.102 0.000 0.899 143 Q HN 0.352 nan 8.270 nan 0.000 0.442 144 Y N -0.144 119.639 120.300 -0.862 0.000 2.097 144 Y HA -0.303 4.247 4.550 0.000 0.000 0.282 144 Y C 1.497 176.617 175.900 -1.301 0.000 1.152 144 Y CA 1.994 59.222 58.100 -1.453 0.000 1.136 144 Y CB -0.422 37.197 38.460 -1.402 0.000 0.975 144 Y HN 0.180 nan 8.280 nan 0.000 0.498 145 Y N -0.198 119.623 120.300 -0.799 0.000 2.571 145 Y HA 0.042 4.592 4.550 0.000 0.000 0.294 145 Y C 2.365 177.844 175.900 -0.702 0.000 1.141 145 Y CA 0.991 58.597 58.100 -0.823 0.000 1.308 145 Y CB -0.441 37.503 38.460 -0.859 0.000 1.002 145 Y HN 0.259 nan 8.280 nan 0.000 0.551 146 G N -1.617 106.889 108.800 -0.490 0.000 3.042 146 G HA2 -0.066 3.894 3.960 0.000 0.000 0.212 146 G HA3 -0.066 3.894 3.960 0.000 0.000 0.212 146 G C 1.583 176.304 174.900 -0.300 0.000 1.166 146 G CA 0.652 45.599 45.100 -0.256 0.000 0.767 146 G HN 0.424 nan 8.290 nan 0.000 0.546 147 S N 1.149 116.493 115.700 -0.594 0.000 2.336 147 S HA 0.136 4.606 4.470 0.000 0.000 0.216 147 S C 1.024 175.465 174.600 -0.265 0.000 1.032 147 S CA 0.001 57.958 58.200 -0.405 0.000 0.973 147 S CB -0.619 62.330 63.200 -0.419 0.000 0.888 147 S HN 0.275 nan 8.310 nan 0.000 0.455 148 F N 2.596 122.431 119.950 -0.193 0.000 2.506 148 F HA 0.560 5.087 4.527 0.000 0.000 0.351 148 F C 0.514 176.269 175.800 -0.075 0.000 1.136 148 F CA -2.245 55.678 58.000 -0.128 0.000 1.298 148 F CB 0.027 38.923 39.000 -0.174 0.000 1.145 148 F HN 0.168 nan 8.300 nan 0.000 0.593 149 K N 2.179 122.700 120.400 0.201 0.000 2.380 149 K HA 0.008 4.328 4.320 0.000 0.000 0.267 149 K C 0.013 176.667 176.600 0.090 0.000 0.990 149 K CA 0.260 56.613 56.287 0.110 0.000 0.946 149 K CB 0.162 32.698 32.500 0.059 0.000 0.937 149 K HN 0.940 nan 8.250 nan 0.000 0.491 150 E N 0.057 120.294 120.200 0.063 0.000 2.596 150 E HA -0.245 4.106 4.350 0.000 0.000 0.154 150 E C -0.983 175.637 176.600 0.033 0.000 1.849 150 E CA 0.355 56.774 56.400 0.031 0.000 0.629 150 E CB -1.801 27.893 29.700 -0.010 0.000 1.066 150 E HN 0.631 nan 8.360 nan 0.000 0.334 151 A N 3.633 126.529 122.820 0.126 0.000 2.498 151 A HA 0.089 4.409 4.320 0.000 0.000 0.239 151 A C 0.587 178.250 177.584 0.132 0.000 1.068 151 A CA 0.014 52.189 52.037 0.230 0.000 0.766 151 A CB 0.422 19.581 19.000 0.265 0.000 1.003 151 A HN 0.464 nan 8.150 nan 0.000 0.497 152 K N 3.556 124.057 120.400 0.170 0.000 2.480 152 K HA 0.180 4.500 4.320 0.000 0.000 0.241 152 K C 0.649 177.347 176.600 0.164 0.000 1.261 152 K CA -0.093 56.264 56.287 0.117 0.000 1.193 152 K CB -0.170 32.399 32.500 0.114 0.000 1.598 152 K HN 0.716 nan 8.250 nan 0.000 0.278 153 I N 1.145 121.789 120.570 0.122 0.000 2.091 153 I HA -0.422 3.748 4.170 0.000 0.000 0.240 153 I C 2.572 178.699 176.117 0.017 0.000 1.046 153 I CA 1.724 63.078 61.300 0.091 0.000 1.306 153 I CB -0.084 37.947 38.000 0.051 0.000 1.018 153 I HN 0.607 nan 8.210 nan 0.000 0.404 154 E N 0.729 120.930 120.200 0.002 0.000 2.077 154 E HA -0.257 4.093 4.350 0.000 0.000 0.193 154 E C 1.983 178.556 176.600 -0.045 0.000 0.989 154 E CA 1.394 57.780 56.400 -0.024 0.000 0.800 154 E CB 0.023 29.717 29.700 -0.010 0.000 0.746 154 E HN 0.521 nan 8.360 nan 0.000 0.452 155 E N -0.860 119.323 120.200 -0.028 0.000 2.204 155 E HA -0.188 4.162 4.350 0.000 0.000 0.194 155 E C 1.900 178.286 176.600 -0.357 0.000 0.989 155 E CA 0.712 57.083 56.400 -0.048 0.000 0.824 155 E CB -0.169 29.615 29.700 0.140 0.000 0.756 155 E HN 0.482 nan 8.360 nan 0.000 0.477 156 H N 0.721 119.392 119.070 -0.664 0.000 2.270 156 H HA -0.110 4.446 4.556 0.000 0.000 0.299 156 H C 2.173 177.206 175.328 -0.492 0.000 1.077 156 H CA 1.211 56.646 56.048 -1.021 0.000 1.294 156 H CB 0.128 29.588 29.762 -0.504 0.000 1.371 156 H HN 0.020 nan 8.280 nan 0.000 0.491 157 L N 0.649 121.749 121.223 -0.204 0.000 2.042 157 L HA -0.174 4.166 4.340 0.000 0.000 0.210 157 L C 3.045 179.847 176.870 -0.112 0.000 1.076 157 L CA 1.232 55.964 54.840 -0.182 0.000 0.749 157 L CB -0.655 41.315 42.059 -0.149 0.000 0.893 157 L HN 0.377 nan 8.230 nan 0.000 0.432 158 A N 0.136 122.898 122.820 -0.096 0.000 1.892 158 A HA -0.288 4.032 4.320 0.000 0.000 0.218 158 A C 2.439 180.003 177.584 -0.034 0.000 1.188 158 A CA 2.220 54.226 52.037 -0.051 0.000 0.631 158 A CB -0.571 18.412 19.000 -0.029 0.000 0.822 158 A HN 0.320 nan 8.150 nan 0.000 0.447 159 R N -0.131 120.337 120.500 -0.054 0.000 2.073 159 R HA 0.007 4.348 4.340 0.000 0.000 0.234 159 R C 1.978 178.285 176.300 0.013 0.000 1.134 159 R CA 1.603 57.714 56.100 0.019 0.000 0.952 159 R CB -0.915 29.438 30.300 0.089 0.000 0.850 159 R HN 0.534 nan 8.270 nan 0.000 0.433 160 L N 0.238 121.453 121.223 -0.013 0.000 1.970 160 L HA -0.207 4.133 4.340 0.000 0.000 0.212 160 L C 2.578 179.427 176.870 -0.036 0.000 1.071 160 L CA 2.186 57.017 54.840 -0.014 0.000 0.751 160 L CB -0.623 41.411 42.059 -0.041 0.000 0.889 160 L HN 0.410 nan 8.230 nan 0.000 0.432 161 E N -0.032 120.143 120.200 -0.043 0.000 2.058 161 E HA -0.278 4.072 4.350 0.000 0.000 0.194 161 E C 2.119 178.704 176.600 -0.024 0.000 0.997 161 E CA 1.367 57.744 56.400 -0.037 0.000 0.801 161 E CB -0.026 29.652 29.700 -0.037 0.000 0.746 161 E HN 0.478 nan 8.360 nan 0.000 0.450 162 A N 0.476 123.289 122.820 -0.012 0.000 1.858 162 A HA -0.147 4.173 4.320 0.000 0.000 0.216 162 A C 2.447 180.031 177.584 -0.001 0.000 1.190 162 A CA 1.645 53.685 52.037 0.005 0.000 0.617 162 A CB -0.828 18.188 19.000 0.027 0.000 0.827 162 A HN 0.231 nan 8.150 nan 0.000 0.443 163 V N 0.016 119.920 119.914 -0.017 0.000 2.332 163 V HA -0.251 3.869 4.120 0.000 0.000 0.248 163 V C 2.742 178.758 176.094 -0.129 0.000 1.055 163 V CA 2.497 64.748 62.300 -0.083 0.000 1.038 163 V CB -1.448 30.284 31.823 -0.151 0.000 0.651 163 V HN 0.628 nan 8.190 nan 0.000 0.450 164 T N -0.134 114.363 114.554 -0.095 0.000 2.684 164 T HA -0.239 4.111 4.350 0.000 0.000 0.267 164 T C 1.920 176.589 174.700 -0.051 0.000 1.036 164 T CA 1.736 63.788 62.100 -0.081 0.000 1.148 164 T CB -0.250 68.584 68.868 -0.057 0.000 0.863 164 T HN 0.502 nan 8.240 nan 0.000 0.436 165 K N 0.789 121.171 120.400 -0.030 0.000 2.057 165 K HA -0.121 4.199 4.320 0.000 0.000 0.207 165 K C 2.457 179.058 176.600 0.001 0.000 1.049 165 K CA 1.395 57.675 56.287 -0.012 0.000 0.931 165 K CB -0.185 32.312 32.500 -0.004 0.000 0.714 165 K HN 0.476 nan 8.250 nan 0.000 0.440 166 E N 1.362 121.567 120.200 0.008 0.000 2.118 166 E HA -0.204 4.146 4.350 0.000 0.000 0.195 166 E C 1.878 178.507 176.600 0.048 0.000 0.992 166 E CA 1.182 57.606 56.400 0.041 0.000 0.804 166 E CB -0.037 29.708 29.700 0.075 0.000 0.741 166 E HN 0.265 nan 8.360 nan 0.000 0.458 167 I N 0.571 121.147 120.570 0.010 0.000 2.193 167 I HA -0.201 3.969 4.170 0.000 0.000 0.240 167 I C 2.280 178.407 176.117 0.017 0.000 1.084 167 I CA 1.271 62.582 61.300 0.019 0.000 1.365 167 I CB -0.323 37.643 38.000 -0.057 0.000 1.064 167 I HN 0.127 nan 8.210 nan 0.000 0.410 168 E N 0.485 120.683 120.200 -0.002 0.000 2.160 168 E HA -0.212 4.138 4.350 0.000 0.000 0.195 168 E C 2.138 178.744 176.600 0.010 0.000 0.991 168 E CA 2.038 58.438 56.400 -0.000 0.000 0.810 168 E CB -0.119 29.576 29.700 -0.009 0.000 0.742 168 E HN 0.639 nan 8.360 nan 0.000 0.466 169 T N -1.829 112.734 114.554 0.016 0.000 2.852 169 T HA -0.072 4.278 4.350 0.000 0.000 0.256 169 T C 2.164 176.881 174.700 0.029 0.000 1.038 169 T CA 1.414 63.526 62.100 0.021 0.000 1.141 169 T CB -0.395 68.487 68.868 0.022 0.000 0.869 169 T HN 0.171 nan 8.240 nan 0.000 0.439 170 T N -2.198 112.380 114.554 0.040 0.000 3.015 170 T HA 0.604 4.954 4.350 0.000 0.000 0.250 170 T C 1.712 176.442 174.700 0.050 0.000 1.057 170 T CA 0.586 62.714 62.100 0.046 0.000 1.066 170 T CB 0.196 69.098 68.868 0.057 0.000 0.959 170 T HN 0.875 nan 8.240 nan 0.000 0.488 171 G N 0.942 109.774 108.800 0.054 0.000 3.405 171 G HA2 -0.210 3.750 3.960 0.000 0.000 0.246 171 G HA3 -0.210 3.750 3.960 0.000 0.000 0.246 171 G C 0.421 175.375 174.900 0.091 0.000 1.852 171 G CA 0.167 45.300 45.100 0.055 0.000 1.510 171 G HN 0.702 nan 8.290 nan 0.000 0.570 172 T N 0.451 115.066 114.554 0.100 0.000 2.885 172 T HA 0.590 4.940 4.350 0.000 0.000 0.356 172 T C -0.074 174.782 174.700 0.261 0.000 1.137 172 T CA 1.403 63.592 62.100 0.148 0.000 1.014 172 T CB 0.414 69.314 68.868 0.053 0.000 1.410 172 T HN 1.898 nan 8.240 nan 0.000 0.532 173 Y N -1.429 118.881 120.300 0.018 0.000 2.620 173 Y HA 0.548 5.098 4.550 0.000 0.000 0.331 173 Y C -1.518 174.407 175.900 0.041 0.000 1.173 173 Y CA -1.337 56.784 58.100 0.035 0.000 1.076 173 Y CB 0.674 39.164 38.460 0.050 0.000 1.336 173 Y HN 0.432 nan 8.280 nan 0.000 0.459 174 Q N 3.310 123.129 119.800 0.030 0.000 2.245 174 Q HA 0.452 4.792 4.340 0.000 0.000 0.256 174 Q C -0.786 175.229 176.000 0.025 0.000 0.942 174 Q CA -0.942 54.829 55.803 -0.053 0.000 0.896 174 Q CB 2.658 31.412 28.738 0.027 0.000 1.272 174 Q HN 0.655 nan 8.270 nan 0.000 0.442 175 L N 1.528 122.743 121.223 -0.015 0.000 2.456 175 L HA 0.325 4.665 4.340 0.000 0.000 0.257 175 L C 1.122 178.034 176.870 0.070 0.000 1.162 175 L CA 0.019 54.910 54.840 0.086 0.000 0.808 175 L CB 0.358 42.471 42.059 0.091 0.000 1.136 175 L HN 0.734 nan 8.230 nan 0.000 0.466 176 T N -1.377 113.207 114.554 0.049 0.000 2.904 176 T HA 0.194 4.544 4.350 0.000 0.000 0.290 176 T C 1.332 176.049 174.700 0.028 0.000 1.018 176 T CA -0.695 61.422 62.100 0.028 0.000 1.075 176 T CB 1.047 69.914 68.868 -0.001 0.000 0.986 176 T HN 0.470 nan 8.240 nan 0.000 0.523 177 L N 0.657 121.901 121.223 0.034 0.000 2.043 177 L HA -0.129 4.211 4.340 0.000 0.000 0.212 177 L C 2.059 178.967 176.870 0.063 0.000 1.075 177 L CA 2.286 57.147 54.840 0.033 0.000 0.752 177 L CB -1.228 40.850 42.059 0.030 0.000 0.891 177 L HN 0.902 nan 8.230 nan 0.000 0.432 178 D N -0.175 120.277 120.400 0.088 0.000 2.144 178 D HA -0.219 4.421 4.640 0.000 0.000 0.199 178 D C 1.968 178.413 176.300 0.241 0.000 0.984 178 D CA 1.184 55.285 54.000 0.168 0.000 0.834 178 D CB 0.258 41.184 40.800 0.211 0.000 0.955 178 D HN 0.534 nan 8.370 nan 0.000 0.465 179 E N -0.215 120.013 120.200 0.047 0.000 2.047 179 E HA -0.164 4.186 4.350 0.000 0.000 0.191 179 E C 2.075 178.859 176.600 0.306 0.000 0.987 179 E CA 0.317 56.711 56.400 -0.009 0.000 0.799 179 E CB -0.052 29.544 29.700 -0.174 0.000 0.752 179 E HN 0.130 nan 8.360 nan 0.000 0.449 180 L N 0.959 122.272 121.223 0.150 0.000 2.079 180 L HA -0.174 4.166 4.340 0.000 0.000 0.210 180 L C 1.927 178.846 176.870 0.081 0.000 1.081 180 L CA 1.359 56.232 54.840 0.055 0.000 0.752 180 L CB -0.345 41.678 42.059 -0.060 0.000 0.896 180 L HN 0.078 nan 8.230 nan 0.000 0.433 181 I N -0.965 119.684 120.570 0.131 0.000 2.099 181 I HA -0.316 3.854 4.170 0.000 0.000 0.239 181 I C 2.353 178.593 176.117 0.205 0.000 1.066 181 I CA 1.748 63.123 61.300 0.125 0.000 1.324 181 I CB -0.882 37.199 38.000 0.135 0.000 1.037 181 I HN 0.347 nan 8.210 nan 0.000 0.401 182 F N 1.168 121.228 119.950 0.183 0.000 2.126 182 F HA -0.281 4.246 4.527 0.000 0.000 0.299 182 F C 2.351 178.296 175.800 0.242 0.000 1.096 182 F CA 1.691 59.828 58.000 0.229 0.000 1.255 182 F CB -0.458 38.736 39.000 0.322 0.000 0.997 182 F HN 0.061 nan 8.300 nan 0.000 0.479 183 A N 0.255 123.300 122.820 0.376 0.000 1.858 183 A HA -0.228 4.092 4.320 0.000 0.000 0.216 183 A C 2.308 179.853 177.584 -0.066 0.000 1.190 183 A CA 2.830 54.953 52.037 0.143 0.000 0.617 183 A CB -1.706 17.309 19.000 0.026 0.000 0.827 183 A HN 0.549 nan 8.150 nan 0.000 0.443 184 T N -1.162 113.368 114.554 -0.040 0.000 2.699 184 T HA -0.232 4.118 4.350 0.000 0.000 0.268 184 T C 1.792 176.550 174.700 0.096 0.000 1.036 184 T CA 1.835 63.931 62.100 -0.007 0.000 1.147 184 T CB -0.425 68.440 68.868 -0.004 0.000 0.862 184 T HN 0.566 nan 8.240 nan 0.000 0.446 185 K N 0.091 120.551 120.400 0.100 0.000 2.057 185 K HA 0.122 4.443 4.320 0.000 0.000 0.206 185 K C 2.367 179.084 176.600 0.194 0.000 1.050 185 K CA 1.287 57.720 56.287 0.243 0.000 0.935 185 K CB -0.296 32.318 32.500 0.189 0.000 0.715 185 K HN 0.187 nan 8.250 nan 0.000 0.439 186 M N 0.995 120.532 119.600 -0.106 0.000 2.159 186 M HA -0.080 4.400 4.480 0.000 0.000 0.263 186 M C 2.056 178.243 176.300 -0.187 0.000 1.063 186 M CA 1.373 56.511 55.300 -0.271 0.000 1.110 186 M CB -0.349 31.955 32.600 -0.493 0.000 1.374 186 M HN 0.184 nan 8.290 nan 0.000 0.411 187 A N -1.212 121.486 122.820 -0.204 0.000 1.933 187 A HA -0.210 4.110 4.320 0.000 0.000 0.218 187 A C 2.012 179.504 177.584 -0.154 0.000 1.175 187 A CA 1.651 53.444 52.037 -0.407 0.000 0.628 187 A CB -1.379 17.009 19.000 -1.020 0.000 0.814 187 A HN 0.780 nan 8.150 nan 0.000 0.444 188 W N 0.966 122.241 121.300 -0.042 0.000 2.381 188 W HA -0.093 4.567 4.660 0.000 0.000 0.301 188 W C 2.267 178.721 176.519 -0.108 0.000 1.205 188 W CA 1.360 58.705 57.345 -0.001 0.000 1.285 188 W CB -0.694 28.755 29.460 -0.020 0.000 1.133 188 W HN 0.364 nan 8.180 nan 0.000 0.521 189 R N 0.435 120.882 120.500 -0.088 0.000 2.127 189 R HA -0.186 4.154 4.340 0.000 0.000 0.238 189 R C 1.173 177.319 176.300 -0.258 0.000 1.134 189 R CA 1.841 57.703 56.100 -0.396 0.000 0.975 189 R CB -0.522 29.347 30.300 -0.718 0.000 0.865 189 R HN 0.051 nan 8.270 nan 0.000 0.447 190 N N 0.043 118.637 118.700 -0.177 0.000 2.314 190 N HA 0.066 4.807 4.740 0.000 0.000 0.200 190 N C -0.834 174.579 175.510 -0.161 0.000 1.135 190 N CA 0.452 53.435 53.050 -0.112 0.000 0.835 190 N CB 1.124 39.612 38.487 0.002 0.000 0.989 190 N HN 0.162 nan 8.380 nan 0.000 0.478 191 A N 2.123 124.835 122.820 -0.180 0.000 2.527 191 A HA 0.269 4.589 4.320 0.000 0.000 0.313 191 A C -1.110 176.390 177.584 -0.140 0.000 1.410 191 A CA -1.161 50.717 52.037 -0.265 0.000 1.060 191 A CB 0.453 19.377 19.000 -0.127 0.000 1.137 191 A HN -0.013 nan 8.150 nan 0.000 0.542 192 P HA -0.137 nan 4.420 nan 0.000 0.228 192 P C 0.662 177.907 177.300 -0.092 0.000 1.151 192 P CA 0.949 64.004 63.100 -0.075 0.000 0.770 192 P CB 0.190 31.848 31.700 -0.069 0.000 0.786 193 R N -1.330 119.071 120.500 -0.164 0.000 2.466 193 R HA 0.205 4.545 4.340 0.000 0.000 0.279 193 R C 0.252 176.543 176.300 -0.014 0.000 0.976 193 R CA -0.235 55.785 56.100 -0.133 0.000 1.081 193 R CB -0.151 29.840 30.300 -0.515 0.000 1.215 193 R HN 0.150 nan 8.270 nan 0.000 0.546 194 C N 0.310 119.580 119.300 -0.050 0.000 2.351 194 C HA 0.437 4.897 4.460 0.000 0.000 0.326 194 C C 1.594 176.528 174.990 -0.094 0.000 1.272 194 C CA -0.722 58.292 59.018 -0.008 0.000 1.650 194 C CB 0.190 27.995 27.740 0.109 0.000 2.257 194 C HN 0.496 nan 8.230 nan 0.000 0.505 195 I N 3.886 124.377 120.570 -0.133 0.000 3.030 195 I HA 0.136 4.306 4.170 0.000 0.000 0.270 195 I C 2.166 178.340 176.117 0.095 0.000 1.211 195 I CA 0.935 62.113 61.300 -0.204 0.000 1.479 195 I CB -0.194 37.687 38.000 -0.198 0.000 1.105 195 I HN 0.926 nan 8.210 nan 0.000 0.447 196 G N 1.131 109.967 108.800 0.060 0.000 3.379 196 G HA2 0.030 3.990 3.960 0.000 0.000 0.253 196 G HA3 0.030 3.990 3.960 0.000 0.000 0.253 196 G C 1.233 176.115 174.900 -0.029 0.000 1.262 196 G CA -0.369 44.755 45.100 0.039 0.000 0.959 196 G HN 0.251 nan 8.290 nan 0.000 0.524 197 R N -0.172 120.234 120.500 -0.157 0.000 2.328 197 R HA 0.085 4.425 4.340 0.000 0.000 0.207 197 R C 1.843 177.553 176.300 -0.984 0.000 1.056 197 R CA 0.156 55.846 56.100 -0.682 0.000 1.016 197 R CB -0.141 29.853 30.300 -0.510 0.000 0.872 197 R HN 0.480 nan 8.270 nan 0.000 0.471 198 I N 0.955 121.120 120.570 -0.674 0.000 2.830 198 I HA -0.185 3.986 4.170 0.000 0.000 0.263 198 I C 1.419 177.420 176.117 -0.193 0.000 1.230 198 I CA 1.027 62.144 61.300 -0.305 0.000 1.480 198 I CB 0.201 38.182 38.000 -0.031 0.000 1.095 198 I HN 0.110 nan 8.210 nan 0.000 0.455 199 Q N 0.549 120.139 119.800 -0.350 0.000 2.360 199 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 199 Q C 1.605 177.144 176.000 -0.769 0.000 0.915 199 Q CA 0.287 55.899 55.803 -0.318 0.000 0.943 199 Q CB -0.156 28.571 28.738 -0.019 0.000 1.064 199 Q HN 0.765 nan 8.270 nan 0.000 0.511 200 W N 1.222 121.703 121.300 -1.366 0.000 2.292 200 W HA -0.251 4.409 4.660 0.000 0.000 0.304 200 W C 1.215 177.471 176.519 -0.438 0.000 1.228 200 W CA 1.642 58.126 57.345 -1.435 0.000 1.241 200 W CB -1.395 27.430 29.460 -1.060 0.000 1.142 200 W HN 0.136 nan 8.180 nan 0.000 0.520 201 S N 0.207 115.029 115.700 -1.464 0.000 2.489 201 S HA -0.038 4.432 4.470 0.000 0.000 0.228 201 S C 0.720 175.056 174.600 -0.441 0.000 0.995 201 S CA 0.328 57.834 58.200 -1.157 0.000 0.934 201 S CB -0.624 61.816 63.200 -1.267 0.000 0.771 201 S HN 0.187 nan 8.310 nan 0.000 0.522 202 N N 1.718 120.273 118.700 -0.242 0.000 2.801 202 N HA 0.490 5.230 4.740 0.000 0.000 0.235 202 N C -1.384 174.215 175.510 0.148 0.000 1.069 202 N CA -0.110 52.930 53.050 -0.017 0.000 0.946 202 N CB 1.131 39.643 38.487 0.042 0.000 1.212 202 N HN 0.306 nan 8.380 nan 0.000 0.509 203 L N 1.754 123.035 121.223 0.097 0.000 2.409 203 L HA 0.417 4.757 4.340 0.000 0.000 0.262 203 L C -0.940 175.919 176.870 -0.018 0.000 0.992 203 L CA -0.679 54.215 54.840 0.090 0.000 0.817 203 L CB 2.313 44.461 42.059 0.148 0.000 1.350 203 L HN 0.174 nan 8.230 nan 0.000 0.411 204 Q N 2.462 122.198 119.800 -0.108 0.000 2.307 204 Q HA 0.680 5.020 4.340 0.000 0.000 0.262 204 Q C -1.873 173.844 176.000 -0.472 0.000 0.961 204 Q CA -0.470 55.155 55.803 -0.296 0.000 0.882 204 Q CB 1.825 30.296 28.738 -0.445 0.000 1.264 204 Q HN 0.509 nan 8.270 nan 0.000 0.446 205 V N 5.103 124.786 119.914 -0.385 0.000 2.398 205 V HA 0.477 4.597 4.120 0.000 0.000 0.286 205 V C -0.835 175.097 176.094 -0.270 0.000 1.026 205 V CA -0.615 61.488 62.300 -0.330 0.000 0.868 205 V CB 0.823 32.553 31.823 -0.154 0.000 0.982 205 V HN 0.660 nan 8.190 nan 0.000 0.443 206 F N 2.632 122.451 119.950 -0.217 0.000 2.308 206 F HA 0.349 4.876 4.527 0.000 0.000 0.370 206 F C 0.515 176.140 175.800 -0.291 0.000 1.100 206 F CA -1.728 56.133 58.000 -0.231 0.000 1.108 206 F CB 0.881 39.740 39.000 -0.235 0.000 1.293 206 F HN 0.488 nan 8.300 nan 0.000 0.478 207 D N 3.275 123.654 120.400 -0.034 0.000 2.367 207 D HA 0.263 4.903 4.640 0.000 0.000 0.255 207 D C 0.422 176.578 176.300 -0.239 0.000 1.300 207 D CA 0.277 54.193 54.000 -0.141 0.000 0.959 207 D CB 0.745 41.501 40.800 -0.075 0.000 1.064 207 D HN 0.563 nan 8.370 nan 0.000 0.509 208 A N 4.639 127.190 122.820 -0.448 0.000 2.630 208 A HA 0.153 4.473 4.320 0.000 0.000 0.290 208 A C 1.752 179.064 177.584 -0.453 0.000 1.267 208 A CA -0.418 51.196 52.037 -0.706 0.000 0.950 208 A CB 0.043 18.193 19.000 -1.416 0.000 1.144 208 A HN 0.515 nan 8.150 nan 0.000 0.527 209 R N 0.906 121.250 120.500 -0.260 0.000 2.193 209 R HA -0.115 4.225 4.340 0.000 0.000 0.229 209 R C 1.206 177.426 176.300 -0.133 0.000 1.110 209 R CA 1.510 57.521 56.100 -0.149 0.000 0.988 209 R CB -0.180 30.091 30.300 -0.050 0.000 0.871 209 R HN 0.871 nan 8.270 nan 0.000 0.458 210 N N -0.270 118.362 118.700 -0.115 0.000 2.322 210 N HA -0.016 4.724 4.740 0.000 0.000 0.194 210 N C 0.360 175.856 175.510 -0.023 0.000 1.126 210 N CA -0.394 52.627 53.050 -0.048 0.000 0.845 210 N CB 0.137 38.616 38.487 -0.013 0.000 0.976 210 N HN 0.012 nan 8.380 nan 0.000 0.475 211 C N 1.650 120.899 119.300 -0.084 0.000 2.689 211 C HA 0.284 4.744 4.460 0.000 0.000 0.409 211 C C 1.702 176.760 174.990 0.114 0.000 1.293 211 C CA 0.321 59.361 59.018 0.037 0.000 2.136 211 C CB 0.568 28.326 27.740 0.030 0.000 2.719 211 C HN 0.587 nan 8.230 nan 0.000 0.644 212 S N 1.080 116.940 115.700 0.268 0.000 2.820 212 S HA 0.238 4.708 4.470 0.000 0.000 0.265 212 S C -0.032 174.766 174.600 0.331 0.000 1.043 212 S CA 0.309 58.729 58.200 0.367 0.000 1.245 212 S CB -0.225 63.102 63.200 0.211 0.000 1.187 212 S HN 1.093 nan 8.310 nan 0.000 0.673 213 T N -1.357 113.382 114.554 0.308 0.000 2.896 213 T HA 0.838 5.188 4.350 0.000 0.000 0.297 213 T C 1.087 175.935 174.700 0.246 0.000 1.108 213 T CA -0.256 61.976 62.100 0.221 0.000 1.004 213 T CB 1.368 70.331 68.868 0.158 0.000 1.159 213 T HN 0.207 nan 8.240 nan 0.000 0.499 214 A N 0.451 123.398 122.820 0.212 0.000 1.933 214 A HA -0.081 4.239 4.320 0.000 0.000 0.218 214 A C 2.222 179.972 177.584 0.276 0.000 1.175 214 A CA 1.192 53.399 52.037 0.283 0.000 0.628 214 A CB -0.851 18.337 19.000 0.314 0.000 0.814 214 A HN 0.753 nan 8.150 nan 0.000 0.444 215 Q N -0.542 119.394 119.800 0.226 0.000 2.167 215 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 215 Q C 1.832 177.840 176.000 0.013 0.000 0.970 215 Q CA 1.616 57.435 55.803 0.028 0.000 0.855 215 Q CB -0.126 28.685 28.738 0.121 0.000 0.911 215 Q HN 0.855 nan 8.270 nan 0.000 0.438 216 E N -0.662 119.611 120.200 0.123 0.000 2.112 216 E HA -0.047 4.303 4.350 0.000 0.000 0.190 216 E C 2.018 178.808 176.600 0.318 0.000 0.979 216 E CA 0.353 56.852 56.400 0.165 0.000 0.814 216 E CB 0.152 29.989 29.700 0.227 0.000 0.762 216 E HN 0.287 nan 8.360 nan 0.000 0.460 217 M N -0.077 119.734 119.600 0.353 0.000 2.067 217 M HA -0.145 4.335 4.480 0.000 0.000 0.260 217 M C 2.139 178.670 176.300 0.384 0.000 1.069 217 M CA 1.090 56.662 55.300 0.454 0.000 1.117 217 M CB -0.350 32.341 32.600 0.152 0.000 1.334 217 M HN 0.186 nan 8.290 nan 0.000 0.407 218 F N 1.745 121.665 119.950 -0.049 0.000 2.115 218 F HA -0.292 4.235 4.527 0.000 0.000 0.300 218 F C 2.216 177.954 175.800 -0.104 0.000 1.092 218 F CA 1.900 59.776 58.000 -0.206 0.000 1.245 218 F CB -0.848 37.670 39.000 -0.803 0.000 0.995 218 F HN 0.214 nan 8.300 nan 0.000 0.481 219 Q N -1.409 118.304 119.800 -0.146 0.000 2.119 219 Q HA -0.195 4.146 4.340 0.000 0.000 0.201 219 Q C 1.997 177.872 176.000 -0.209 0.000 0.972 219 Q CA 1.843 57.464 55.803 -0.304 0.000 0.847 219 Q CB -0.308 28.236 28.738 -0.323 0.000 0.903 219 Q HN 0.576 nan 8.270 nan 0.000 0.433 220 H N -0.295 118.791 119.070 0.026 0.000 2.395 220 H HA -0.008 4.548 4.556 0.000 0.000 0.299 220 H C 1.785 177.172 175.328 0.099 0.000 1.070 220 H CA 1.183 57.233 56.048 0.003 0.000 1.356 220 H CB 0.193 29.953 29.762 -0.003 0.000 1.401 220 H HN 0.155 nan 8.280 nan 0.000 0.524 221 I N -0.437 120.346 120.570 0.355 0.000 2.315 221 I HA -0.302 3.868 4.170 0.000 0.000 0.248 221 I C 1.921 178.189 176.117 0.252 0.000 1.117 221 I CA 0.703 62.219 61.300 0.360 0.000 1.404 221 I CB -0.186 38.040 38.000 0.377 0.000 1.071 221 I HN 0.409 nan 8.210 nan 0.000 0.419 222 C N 0.248 119.612 119.300 0.107 0.000 2.446 222 C HA -0.136 4.324 4.460 0.000 0.000 0.277 222 C C 2.960 177.960 174.990 0.018 0.000 1.275 222 C CA 0.732 59.757 59.018 0.012 0.000 1.727 222 C CB -1.132 26.494 27.740 -0.190 0.000 2.010 222 C HN 0.479 nan 8.230 nan 0.000 0.486 223 R N 0.073 120.550 120.500 -0.038 0.000 2.105 223 R HA -0.189 4.151 4.340 0.000 0.000 0.239 223 R C 2.303 178.656 176.300 0.089 0.000 1.135 223 R CA 1.727 57.776 56.100 -0.086 0.000 0.967 223 R CB -0.695 29.431 30.300 -0.289 0.000 0.861 223 R HN 0.746 nan 8.270 nan 0.000 0.442 224 H N 0.218 119.355 119.070 0.112 0.000 2.276 224 H HA -0.106 4.450 4.556 0.000 0.000 0.301 224 H C 2.182 177.691 175.328 0.302 0.000 1.073 224 H CA 2.086 58.358 56.048 0.373 0.000 1.311 224 H CB -0.077 29.884 29.762 0.332 0.000 1.379 224 H HN 0.206 nan 8.280 nan 0.000 0.494 225 I N 0.920 121.557 120.570 0.112 0.000 2.145 225 I HA -0.343 3.827 4.170 0.000 0.000 0.244 225 I C 2.915 179.048 176.117 0.027 0.000 1.075 225 I CA 1.151 62.451 61.300 0.001 0.000 1.332 225 I CB -0.300 37.729 38.000 0.049 0.000 1.033 225 I HN 0.340 nan 8.210 nan 0.000 0.410 226 L N -0.337 120.928 121.223 0.070 0.000 2.017 226 L HA -0.288 4.052 4.340 0.000 0.000 0.208 226 L C 2.726 179.647 176.870 0.086 0.000 1.073 226 L CA 1.648 56.523 54.840 0.058 0.000 0.745 226 L CB -0.448 41.637 42.059 0.043 0.000 0.894 226 L HN 0.248 nan 8.230 nan 0.000 0.432 227 Y N 0.245 120.591 120.300 0.077 0.000 2.145 227 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 227 Y C 2.360 178.306 175.900 0.077 0.000 1.145 227 Y CA 1.736 59.916 58.100 0.134 0.000 1.148 227 Y CB -0.458 38.219 38.460 0.361 0.000 0.981 227 Y HN 0.236 nan 8.280 nan 0.000 0.507 228 A N -0.337 122.550 122.820 0.112 0.000 1.877 228 A HA -0.194 4.126 4.320 0.000 0.000 0.216 228 A C 2.220 179.755 177.584 -0.082 0.000 1.186 228 A CA 2.416 54.433 52.037 -0.033 0.000 0.620 228 A CB -1.432 17.479 19.000 -0.148 0.000 0.822 228 A HN 0.534 nan 8.150 nan 0.000 0.443 229 T N -0.199 114.325 114.554 -0.051 0.000 2.652 229 T HA -0.168 4.182 4.350 0.000 0.000 0.267 229 T C 1.168 175.834 174.700 -0.056 0.000 1.039 229 T CA 1.534 63.619 62.100 -0.025 0.000 1.153 229 T CB -0.489 68.376 68.868 -0.006 0.000 0.863 229 T HN 0.668 nan 8.240 nan 0.000 0.428 230 N N 1.676 120.319 118.700 -0.095 0.000 2.716 230 N HA -0.273 4.467 4.740 0.000 0.000 0.250 230 N C 0.085 175.551 175.510 -0.073 0.000 1.033 230 N CA 0.972 53.952 53.050 -0.117 0.000 0.727 230 N CB -2.147 36.224 38.487 -0.194 0.000 0.950 230 N HN 0.665 nan 8.380 nan 0.000 0.541 231 N N -1.853 116.818 118.700 -0.048 0.000 2.754 231 N HA -0.242 4.498 4.740 0.000 0.000 0.248 231 N C 0.917 176.401 175.510 -0.043 0.000 1.093 231 N CA 1.277 54.303 53.050 -0.040 0.000 0.699 231 N CB -1.255 37.207 38.487 -0.041 0.000 1.016 231 N HN 1.113 nan 8.380 nan 0.000 0.552 232 G N 0.308 109.088 108.800 -0.034 0.000 2.308 232 G HA2 -0.321 3.639 3.960 0.000 0.000 0.221 232 G HA3 -0.321 3.639 3.960 0.000 0.000 0.221 232 G C -0.071 174.810 174.900 -0.032 0.000 1.032 232 G CA 0.285 45.368 45.100 -0.029 0.000 0.623 232 G HN 0.583 nan 8.290 nan 0.000 0.506 233 N N 2.025 120.691 118.700 -0.058 0.000 2.739 233 N HA 0.316 5.056 4.740 0.000 0.000 0.266 233 N C 0.625 176.091 175.510 -0.074 0.000 1.168 233 N CA -0.657 52.343 53.050 -0.084 0.000 1.055 233 N CB -0.178 38.256 38.487 -0.089 0.000 1.393 233 N HN 0.236 nan 8.380 nan 0.000 0.514 234 I N 2.264 122.815 120.570 -0.032 0.000 2.880 234 I HA -0.075 4.095 4.170 0.000 0.000 0.296 234 I C 0.810 176.980 176.117 0.089 0.000 1.220 234 I CA 0.963 62.293 61.300 0.051 0.000 1.435 234 I CB 0.067 38.178 38.000 0.185 0.000 1.339 234 I HN 0.430 nan 8.210 nan 0.000 0.583 235 R N 3.525 124.068 120.500 0.073 0.000 2.575 235 R HA 0.350 4.691 4.340 0.000 0.000 0.293 235 R C -0.592 175.811 176.300 0.172 0.000 0.983 235 R CA -0.643 55.523 56.100 0.110 0.000 0.887 235 R CB 1.955 32.172 30.300 -0.138 0.000 1.184 235 R HN 0.551 nan 8.270 nan 0.000 0.445 236 S N 1.623 117.441 115.700 0.197 0.000 2.533 236 S HA 0.478 4.948 4.470 0.000 0.000 0.282 236 S C -0.289 174.345 174.600 0.056 0.000 1.304 236 S CA -0.175 58.046 58.200 0.035 0.000 1.063 236 S CB 1.161 64.316 63.200 -0.075 0.000 0.881 236 S HN 0.691 nan 8.310 nan 0.000 0.493 237 A N 3.006 125.840 122.820 0.024 0.000 2.602 237 A HA 0.870 5.190 4.320 0.000 0.000 0.290 237 A C -1.315 176.314 177.584 0.075 0.000 1.114 237 A CA -0.700 51.334 52.037 -0.005 0.000 0.683 237 A CB 1.229 20.250 19.000 0.035 0.000 1.281 237 A HN 0.802 nan 8.150 nan 0.000 0.416 238 I N 0.161 120.607 120.570 -0.206 0.000 2.722 238 I HA 0.613 4.783 4.170 0.000 0.000 0.292 238 I C -0.934 174.930 176.117 -0.422 0.000 1.267 238 I CA -0.046 61.101 61.300 -0.256 0.000 1.036 238 I CB 2.366 40.288 38.000 -0.130 0.000 1.281 238 I HN 0.736 nan 8.210 nan 0.000 0.423 239 T N 6.765 121.045 114.554 -0.457 0.000 2.842 239 T HA 0.490 4.840 4.350 0.000 0.000 0.308 239 T C -0.894 173.564 174.700 -0.404 0.000 1.041 239 T CA -0.368 61.498 62.100 -0.389 0.000 0.964 239 T CB 0.443 69.076 68.868 -0.391 0.000 0.972 239 T HN 0.303 nan 8.240 nan 0.000 0.460 240 V N 7.403 127.083 119.914 -0.390 0.000 2.405 240 V HA 0.386 4.506 4.120 0.000 0.000 0.264 240 V C -0.021 175.823 176.094 -0.416 0.000 1.048 240 V CA -0.384 61.712 62.300 -0.340 0.000 0.966 240 V CB -0.552 31.025 31.823 -0.410 0.000 1.015 240 V HN 0.772 nan 8.190 nan 0.000 0.477 241 F N 5.801 125.683 119.950 -0.113 0.000 2.380 241 F HA 0.453 4.980 4.527 0.000 0.000 0.319 241 F C -1.715 173.998 175.800 -0.145 0.000 1.113 241 F CA -2.498 55.380 58.000 -0.202 0.000 1.056 241 F CB 0.314 39.217 39.000 -0.163 0.000 1.289 241 F HN 0.316 nan 8.300 nan 0.000 0.515 242 P HA -0.075 nan 4.420 nan 0.000 0.261 242 P C -0.841 176.488 177.300 0.048 0.000 1.165 242 P CA 0.165 63.148 63.100 -0.194 0.000 0.759 242 P CB 0.141 31.477 31.700 -0.607 0.000 0.772 243 Q N 3.555 123.374 119.800 0.031 0.000 2.793 243 Q HA 0.047 4.387 4.340 0.000 0.000 0.220 243 Q C 0.178 176.102 176.000 -0.127 0.000 1.123 243 Q CA -0.325 55.270 55.803 -0.346 0.000 1.073 243 Q CB 0.517 28.773 28.738 -0.803 0.000 1.315 243 Q HN 0.331 nan 8.270 nan 0.000 0.619 244 R N 0.328 120.705 120.500 -0.206 0.000 2.390 244 R HA 0.103 4.443 4.340 0.000 0.000 0.291 244 R C 0.213 176.490 176.300 -0.038 0.000 1.070 244 R CA 0.537 56.612 56.100 -0.042 0.000 1.014 244 R CB 0.775 31.043 30.300 -0.054 0.000 1.007 244 R HN 0.907 nan 8.270 nan 0.000 0.466 245 S N 2.934 118.663 115.700 0.049 0.000 2.696 245 S HA -0.043 4.427 4.470 0.000 0.000 0.172 245 S C 1.050 175.670 174.600 0.034 0.000 0.767 245 S CA 0.393 58.627 58.200 0.055 0.000 0.856 245 S CB -0.226 63.055 63.200 0.135 0.000 0.782 245 S HN 0.818 nan 8.310 nan 0.000 0.582 246 D N 0.216 120.638 120.400 0.036 0.000 2.290 246 D HA 0.286 4.926 4.640 0.000 0.000 0.224 246 D C 1.568 177.848 176.300 -0.033 0.000 0.967 246 D CA 1.365 55.356 54.000 -0.015 0.000 0.893 246 D CB -0.370 40.393 40.800 -0.061 0.000 1.037 246 D HN 0.744 nan 8.370 nan 0.000 0.477 247 G N 0.235 109.010 108.800 -0.042 0.000 3.302 247 G HA2 -0.151 3.809 3.960 0.000 0.000 0.216 247 G HA3 -0.151 3.809 3.960 0.000 0.000 0.216 247 G C 1.108 175.983 174.900 -0.041 0.000 1.008 247 G CA -0.007 45.075 45.100 -0.029 0.000 0.852 247 G HN 0.241 nan 8.290 nan 0.000 0.485 248 K N 0.180 120.497 120.400 -0.138 0.000 2.404 248 K HA 0.214 4.534 4.320 0.000 0.000 0.194 248 K C 0.189 176.724 176.600 -0.109 0.000 1.023 248 K CA 0.120 56.312 56.287 -0.159 0.000 1.094 248 K CB 0.110 32.459 32.500 -0.253 0.000 0.841 248 K HN 0.551 nan 8.250 nan 0.000 0.523 249 H N 0.764 119.852 119.070 0.028 0.000 2.474 249 H HA 0.154 4.710 4.556 0.000 0.000 0.250 249 H C -0.965 174.375 175.328 0.020 0.000 1.307 249 H CA -0.735 55.317 56.048 0.007 0.000 1.058 249 H CB 0.407 30.189 29.762 0.034 0.000 1.693 249 H HN -0.042 nan 8.280 nan 0.000 0.552 250 D N 0.943 121.421 120.400 0.130 0.000 2.308 250 D HA 0.051 4.691 4.640 0.000 0.000 0.251 250 D C -0.174 176.170 176.300 0.075 0.000 1.127 250 D CA 0.010 54.100 54.000 0.150 0.000 0.876 250 D CB 0.857 41.747 40.800 0.150 0.000 1.176 250 D HN 0.216 nan 8.370 nan 0.000 0.446 251 F N 2.952 122.977 119.950 0.124 0.000 2.411 251 F HA 0.319 4.847 4.527 0.000 0.000 0.355 251 F C 0.996 176.841 175.800 0.075 0.000 1.117 251 F CA -0.245 57.801 58.000 0.075 0.000 1.139 251 F CB 0.726 39.761 39.000 0.059 0.000 1.120 251 F HN -0.137 nan 8.300 nan 0.000 0.493 252 R N 3.803 124.424 120.500 0.201 0.000 2.604 252 R HA 0.511 4.851 4.340 0.000 0.000 0.281 252 R C -1.645 174.812 176.300 0.261 0.000 1.020 252 R CA -1.146 55.098 56.100 0.240 0.000 0.899 252 R CB 2.110 32.606 30.300 0.327 0.000 1.205 252 R HN 0.475 nan 8.270 nan 0.000 0.450 253 L N 1.682 123.038 121.223 0.221 0.000 2.289 253 L HA 0.370 4.710 4.340 0.000 0.000 0.285 253 L C 0.679 177.804 176.870 0.424 0.000 1.049 253 L CA -0.114 54.858 54.840 0.221 0.000 0.804 253 L CB 0.724 42.842 42.059 0.098 0.000 1.195 253 L HN 0.564 nan 8.230 nan 0.000 0.428 254 W N 0.534 121.918 121.300 0.141 0.000 3.003 254 W HA 0.103 4.763 4.660 0.000 0.000 0.257 254 W C 0.435 177.071 176.519 0.195 0.000 1.308 254 W CA -0.652 56.877 57.345 0.306 0.000 1.529 254 W CB -0.954 28.786 29.460 0.467 0.000 1.115 254 W HN 0.497 nan 8.180 nan 0.000 0.659 255 N N -0.449 118.349 118.700 0.164 0.000 2.525 255 N HA 0.073 4.813 4.740 0.000 0.000 0.271 255 N C 1.137 176.480 175.510 -0.278 0.000 1.194 255 N CA 0.365 53.199 53.050 -0.360 0.000 0.964 255 N CB 0.860 39.257 38.487 -0.151 0.000 1.126 255 N HN -0.283 nan 8.380 nan 0.000 0.452 256 S N 0.219 115.683 115.700 -0.392 0.000 2.368 256 S HA -0.148 4.322 4.470 0.000 0.000 0.225 256 S C 0.446 174.951 174.600 -0.159 0.000 1.030 256 S CA 1.115 59.200 58.200 -0.191 0.000 0.999 256 S CB -0.392 62.723 63.200 -0.141 0.000 0.844 256 S HN 0.790 nan 8.310 nan 0.000 0.459 257 Q N -1.072 118.622 119.800 -0.177 0.000 2.462 257 Q HA 0.495 4.835 4.340 0.000 0.000 0.285 257 Q C -0.174 175.726 176.000 -0.165 0.000 1.035 257 Q CA -0.951 54.756 55.803 -0.160 0.000 0.799 257 Q CB 0.754 29.431 28.738 -0.102 0.000 1.452 257 Q HN -0.121 nan 8.270 nan 0.000 0.404 258 L N 0.602 121.745 121.223 -0.134 0.000 1.941 258 L HA -0.069 4.271 4.340 0.000 0.000 0.224 258 L C 0.899 177.654 176.870 -0.192 0.000 1.081 258 L CA 1.889 56.671 54.840 -0.097 0.000 0.784 258 L CB -0.654 41.387 42.059 -0.030 0.000 0.894 258 L HN 0.678 nan 8.230 nan 0.000 0.436 259 I N -1.288 119.085 120.570 -0.328 0.000 2.396 259 I HA 0.420 4.590 4.170 0.000 0.000 0.292 259 I C 0.089 175.592 176.117 -1.023 0.000 0.999 259 I CA -0.112 60.812 61.300 -0.627 0.000 1.310 259 I CB 1.313 38.874 38.000 -0.731 0.000 1.404 259 I HN 0.132 nan 8.210 nan 0.000 0.496 260 R N 4.020 123.970 120.500 -0.917 0.000 2.664 260 R HA 0.436 4.776 4.340 0.000 0.000 0.260 260 R C -2.002 174.038 176.300 -0.434 0.000 1.062 260 R CA -0.754 54.925 56.100 -0.701 0.000 0.902 260 R CB 0.813 30.938 30.300 -0.292 0.000 1.258 260 R HN 0.316 nan 8.270 nan 0.000 0.465 261 Y N 1.169 121.450 120.300 -0.032 0.000 2.335 261 Y HA 0.687 5.237 4.550 0.000 0.000 0.323 261 Y C 0.859 176.751 175.900 -0.013 0.000 1.224 261 Y CA -0.366 57.760 58.100 0.042 0.000 1.241 261 Y CB 1.448 40.025 38.460 0.196 0.000 1.235 261 Y HN 0.742 nan 8.280 nan 0.000 0.492 262 A N 0.954 123.841 122.820 0.112 0.000 2.313 262 A HA 0.700 5.020 4.320 0.000 0.000 0.261 262 A C 0.337 177.693 177.584 -0.381 0.000 1.090 262 A CA 0.154 52.077 52.037 -0.191 0.000 0.807 262 A CB -0.078 18.767 19.000 -0.259 0.000 1.055 262 A HN 0.935 nan 8.150 nan 0.000 0.492 263 G N 0.133 108.613 108.800 -0.533 0.000 2.744 263 G HA2 0.572 4.533 3.960 0.000 0.000 0.286 263 G HA3 0.572 4.533 3.960 0.000 0.000 0.286 263 G C -1.290 173.363 174.900 -0.412 0.000 1.497 263 G CA -0.285 44.564 45.100 -0.418 0.000 1.070 263 G HN 0.541 nan 8.290 nan 0.000 0.539 264 Y N 0.230 120.570 120.300 0.067 0.000 2.429 264 Y HA 0.573 5.123 4.550 0.000 0.000 0.342 264 Y C 0.398 176.356 175.900 0.097 0.000 1.004 264 Y CA -1.273 56.888 58.100 0.102 0.000 1.075 264 Y CB 2.086 40.655 38.460 0.180 0.000 1.214 264 Y HN 0.496 nan 8.280 nan 0.000 0.455 265 Q N 3.628 123.572 119.800 0.240 0.000 2.337 265 Q HA 0.305 4.645 4.340 0.000 0.000 0.255 265 Q C -0.673 175.421 176.000 0.157 0.000 0.997 265 Q CA -0.653 55.242 55.803 0.152 0.000 0.925 265 Q CB 0.531 29.330 28.738 0.102 0.000 1.212 265 Q HN 0.581 nan 8.270 nan 0.000 0.436 266 M N 5.357 125.031 119.600 0.124 0.000 2.226 266 M HA 0.115 4.595 4.480 0.000 0.000 0.324 266 M C -1.436 174.881 176.300 0.029 0.000 1.112 266 M CA -2.079 53.262 55.300 0.069 0.000 1.176 266 M CB -0.217 32.412 32.600 0.048 0.000 1.430 266 M HN 0.556 nan 8.290 nan 0.000 0.462 267 P HA -0.158 nan 4.420 nan 0.000 0.216 267 P C 0.050 177.345 177.300 -0.009 0.000 1.153 267 P CA 1.479 64.568 63.100 -0.018 0.000 0.848 267 P CB -0.390 31.279 31.700 -0.052 0.000 0.787 268 D N -1.190 119.204 120.400 -0.011 0.000 2.490 268 D HA 0.224 4.865 4.640 0.000 0.000 0.255 268 D C 1.382 177.686 176.300 0.007 0.000 1.248 268 D CA 0.393 54.391 54.000 -0.004 0.000 0.887 268 D CB -0.930 39.865 40.800 -0.009 0.000 0.978 268 D HN 0.250 nan 8.370 nan 0.000 0.491 269 G N 0.186 108.993 108.800 0.013 0.000 2.377 269 G HA2 -0.406 3.554 3.960 0.000 0.000 0.250 269 G HA3 -0.406 3.554 3.960 0.000 0.000 0.250 269 G C 0.888 175.804 174.900 0.027 0.000 1.039 269 G CA 0.898 46.010 45.100 0.020 0.000 0.625 269 G HN 0.763 nan 8.290 nan 0.000 0.526 270 T N -0.744 113.826 114.554 0.028 0.000 2.681 270 T HA 0.602 4.952 4.350 0.000 0.000 0.333 270 T C 0.479 175.207 174.700 0.047 0.000 1.049 270 T CA 0.346 62.466 62.100 0.033 0.000 1.002 270 T CB 1.225 70.112 68.868 0.031 0.000 1.161 270 T HN 0.801 nan 8.240 nan 0.000 0.519 271 I N 0.174 120.771 120.570 0.045 0.000 2.571 271 I HA 0.417 4.587 4.170 0.000 0.000 0.289 271 I C 0.139 176.281 176.117 0.041 0.000 1.115 271 I CA -0.839 60.492 61.300 0.052 0.000 1.045 271 I CB 2.255 40.269 38.000 0.024 0.000 1.238 271 I HN 0.560 nan 8.210 nan 0.000 0.424 272 R N 2.960 123.518 120.500 0.096 0.000 2.598 272 R HA 0.724 5.064 4.340 0.000 0.000 0.279 272 R C 0.466 176.760 176.300 -0.010 0.000 0.984 272 R CA 0.371 56.524 56.100 0.089 0.000 0.999 272 R CB 1.865 32.299 30.300 0.224 0.000 1.114 272 R HN 0.914 nan 8.270 nan 0.000 0.493 273 G N 1.885 110.610 108.800 -0.125 0.000 2.569 273 G HA2 -0.294 3.666 3.960 0.000 0.000 0.259 273 G HA3 -0.294 3.666 3.960 0.000 0.000 0.259 273 G C -0.745 173.749 174.900 -0.677 0.000 1.263 273 G CA 0.003 44.934 45.100 -0.281 0.000 0.928 273 G HN 0.624 nan 8.290 nan 0.000 0.572 274 D N 1.599 121.753 120.400 -0.411 0.000 2.359 274 D HA 0.543 5.183 4.640 0.000 0.000 0.250 274 D C 1.477 177.685 176.300 -0.153 0.000 1.264 274 D CA 0.876 54.695 54.000 -0.302 0.000 0.911 274 D CB 0.625 41.572 40.800 0.244 0.000 1.056 274 D HN 0.913 nan 8.370 nan 0.000 0.499 275 A N 3.811 126.529 122.820 -0.170 0.000 2.125 275 A HA -0.059 4.261 4.320 0.000 0.000 0.219 275 A C 2.048 179.647 177.584 0.024 0.000 1.156 275 A CA 1.580 53.583 52.037 -0.056 0.000 0.671 275 A CB -0.184 18.794 19.000 -0.036 0.000 0.794 275 A HN 0.603 nan 8.150 nan 0.000 0.459 276 A N -0.224 122.636 122.820 0.067 0.000 1.929 276 A HA -0.013 4.307 4.320 0.000 0.000 0.216 276 A C 2.043 179.694 177.584 0.111 0.000 1.176 276 A CA 1.876 53.984 52.037 0.118 0.000 0.628 276 A CB -0.976 18.119 19.000 0.158 0.000 0.816 276 A HN 0.777 nan 8.150 nan 0.000 0.444 277 T N -2.264 112.342 114.554 0.086 0.000 3.330 277 T HA 0.433 4.783 4.350 0.000 0.000 0.249 277 T C 1.194 175.923 174.700 0.049 0.000 0.980 277 T CA -0.108 62.043 62.100 0.086 0.000 0.920 277 T CB -0.278 68.638 68.868 0.080 0.000 1.065 277 T HN 0.250 nan 8.240 nan 0.000 0.588 278 L N 0.370 121.615 121.223 0.036 0.000 1.976 278 L HA -0.032 4.308 4.340 0.000 0.000 0.209 278 L C 2.964 179.839 176.870 0.008 0.000 1.071 278 L CA 1.832 56.676 54.840 0.008 0.000 0.746 278 L CB -0.327 41.748 42.059 0.026 0.000 0.890 278 L HN 0.444 nan 8.230 nan 0.000 0.432 279 E N -0.291 119.928 120.200 0.031 0.000 2.038 279 E HA -0.306 4.044 4.350 0.000 0.000 0.195 279 E C 2.167 178.694 176.600 -0.123 0.000 1.000 279 E CA 1.597 57.986 56.400 -0.019 0.000 0.803 279 E CB -0.197 29.526 29.700 0.037 0.000 0.750 279 E HN 0.359 nan 8.360 nan 0.000 0.448 280 F N 1.329 121.121 119.950 -0.263 0.000 2.202 280 F HA -0.184 4.343 4.527 0.000 0.000 0.301 280 F C 2.268 177.908 175.800 -0.268 0.000 1.082 280 F CA 1.797 59.571 58.000 -0.376 0.000 1.313 280 F CB -0.373 38.466 39.000 -0.267 0.000 1.024 280 F HN 0.002 nan 8.300 nan 0.000 0.495 281 T N -0.448 114.018 114.554 -0.147 0.000 2.737 281 T HA -0.238 4.112 4.350 0.000 0.000 0.265 281 T C 1.756 176.367 174.700 -0.148 0.000 1.038 281 T CA 1.520 63.501 62.100 -0.198 0.000 1.144 281 T CB -0.345 68.430 68.868 -0.156 0.000 0.866 281 T HN 0.230 nan 8.240 nan 0.000 0.434 282 Q N 0.923 120.665 119.800 -0.096 0.000 2.112 282 Q HA -0.106 4.234 4.340 0.000 0.000 0.206 282 Q C 2.106 178.039 176.000 -0.111 0.000 0.987 282 Q CA 1.401 57.177 55.803 -0.046 0.000 0.858 282 Q CB -0.849 27.870 28.738 -0.032 0.000 0.905 282 Q HN 0.456 nan 8.270 nan 0.000 0.420 283 L N -0.398 120.670 121.223 -0.257 0.000 2.012 283 L HA -0.220 4.120 4.340 0.000 0.000 0.210 283 L C 2.235 178.959 176.870 -0.244 0.000 1.073 283 L CA 2.108 56.774 54.840 -0.290 0.000 0.748 283 L CB -0.904 40.840 42.059 -0.525 0.000 0.891 283 L HN 0.425 nan 8.230 nan 0.000 0.431 284 C N -0.414 118.660 119.300 -0.378 0.000 2.425 284 C HA -0.141 4.319 4.460 0.000 0.000 0.277 284 C C 2.675 177.689 174.990 0.040 0.000 1.280 284 C CA 0.400 59.257 59.018 -0.269 0.000 1.744 284 C CB -1.107 26.334 27.740 -0.499 0.000 1.989 284 C HN 0.572 nan 8.230 nan 0.000 0.491 285 I N 1.496 122.125 120.570 0.100 0.000 2.286 285 I HA -0.131 4.039 4.170 0.000 0.000 0.248 285 I C 2.078 178.237 176.117 0.071 0.000 1.115 285 I CA 1.713 63.100 61.300 0.144 0.000 1.392 285 I CB -1.471 36.605 38.000 0.126 0.000 1.065 285 I HN 0.340 nan 8.210 nan 0.000 0.418 286 D N 0.980 121.404 120.400 0.039 0.000 2.117 286 D HA -0.113 4.527 4.640 0.000 0.000 0.197 286 D C 1.900 178.232 176.300 0.053 0.000 0.987 286 D CA 0.980 55.012 54.000 0.053 0.000 0.829 286 D CB -0.219 40.620 40.800 0.065 0.000 0.961 286 D HN 0.304 nan 8.370 nan 0.000 0.460 287 L N 0.036 121.273 121.223 0.023 0.000 2.718 287 L HA 0.214 4.554 4.340 0.000 0.000 0.242 287 L C 1.192 178.052 176.870 -0.017 0.000 1.203 287 L CA 0.042 54.868 54.840 -0.023 0.000 1.011 287 L CB -0.692 41.310 42.059 -0.094 0.000 1.250 287 L HN 0.076 nan 8.230 nan 0.000 0.437 288 G N -0.506 108.305 108.800 0.019 0.000 2.179 288 G HA2 -0.316 3.644 3.960 0.000 0.000 0.257 288 G HA3 -0.316 3.644 3.960 0.000 0.000 0.257 288 G C -0.097 174.834 174.900 0.051 0.000 1.010 288 G CA -0.010 45.100 45.100 0.016 0.000 0.736 288 G HN 0.553 nan 8.290 nan 0.000 0.513 289 W N 1.647 122.888 121.300 -0.098 0.000 2.190 289 W HA 0.587 5.247 4.660 0.000 0.000 0.330 289 W C 0.453 176.931 176.519 -0.067 0.000 1.299 289 W CA -0.985 56.304 57.345 -0.093 0.000 1.215 289 W CB 0.691 30.083 29.460 -0.113 0.000 1.147 289 W HN 0.014 nan 8.180 nan 0.000 0.563 290 K N 8.331 128.233 120.400 -0.830 0.000 2.278 290 K HA 0.131 4.451 4.320 0.000 0.000 0.289 290 K C -2.293 173.500 176.600 -1.344 0.000 1.080 290 K CA -1.532 54.272 56.287 -0.805 0.000 0.934 290 K CB 0.040 32.230 32.500 -0.518 0.000 1.093 290 K HN 0.327 nan 8.250 nan 0.000 0.459 291 P HA 0.171 nan 4.420 nan 0.000 0.275 291 P C -0.294 176.536 177.300 -0.783 0.000 1.276 291 P CA -0.315 62.163 63.100 -1.037 0.000 0.782 291 P CB 0.588 31.741 31.700 -0.912 0.000 0.851 292 R N 2.130 122.302 120.500 -0.547 0.000 2.313 292 R HA 0.082 4.422 4.340 0.000 0.000 0.199 292 R C -0.020 176.215 176.300 -0.108 0.000 0.958 292 R CA -0.227 55.742 56.100 -0.218 0.000 1.047 292 R CB -1.139 29.119 30.300 -0.071 0.000 0.955 292 R HN 0.384 nan 8.270 nan 0.000 0.481 293 Y N -0.323 119.743 120.300 -0.390 0.000 2.905 293 Y HA -0.222 4.329 4.550 0.000 0.000 0.159 293 Y C 0.895 176.728 175.900 -0.111 0.000 1.680 293 Y CA 0.833 58.593 58.100 -0.567 0.000 0.983 293 Y CB -1.411 36.760 38.460 -0.481 0.000 1.567 293 Y HN 0.338 nan 8.280 nan 0.000 0.337 294 G N 1.020 109.986 108.800 0.278 0.000 2.721 294 G HA2 0.576 4.536 3.960 0.000 0.000 0.296 294 G HA3 0.576 4.536 3.960 0.000 0.000 0.296 294 G C 0.113 175.148 174.900 0.225 0.000 1.383 294 G CA -0.975 44.264 45.100 0.231 0.000 0.788 294 G HN 0.247 nan 8.290 nan 0.000 0.500 295 R N -1.272 119.254 120.500 0.043 0.000 2.100 295 R HA 0.151 4.491 4.340 0.000 0.000 0.220 295 R C 0.011 175.961 176.300 -0.584 0.000 1.091 295 R CA 1.013 56.958 56.100 -0.258 0.000 0.986 295 R CB -0.005 30.042 30.300 -0.422 0.000 0.888 295 R HN 0.319 nan 8.270 nan 0.000 0.444 296 F N 1.065 120.977 119.950 -0.065 0.000 2.523 296 F HA 0.271 4.798 4.527 0.000 0.000 0.322 296 F C -0.845 174.889 175.800 -0.109 0.000 1.361 296 F CA -1.061 56.640 58.000 -0.498 0.000 1.151 296 F CB 0.768 39.331 39.000 -0.727 0.000 1.391 296 F HN -0.305 nan 8.300 nan 0.000 0.566 297 D N 1.685 122.240 120.400 0.258 0.000 2.373 297 D HA 0.237 4.877 4.640 0.000 0.000 0.227 297 D C 0.088 176.656 176.300 0.446 0.000 1.091 297 D CA -0.068 54.160 54.000 0.379 0.000 0.840 297 D CB 2.171 43.244 40.800 0.455 0.000 1.060 297 D HN -0.021 nan 8.370 nan 0.000 0.502 298 V N 3.427 123.589 119.914 0.414 0.000 2.617 298 V HA -0.065 4.056 4.120 0.000 0.000 0.304 298 V C 1.084 177.249 176.094 0.118 0.000 1.040 298 V CA 0.008 62.451 62.300 0.237 0.000 1.149 298 V CB 0.161 32.068 31.823 0.141 0.000 0.914 298 V HN 0.364 nan 8.190 nan 0.000 0.487 299 L N 7.997 129.172 121.223 -0.080 0.000 2.436 299 L HA 0.335 4.675 4.340 0.000 0.000 0.265 299 L C -1.727 174.948 176.870 -0.325 0.000 1.168 299 L CA -1.416 53.225 54.840 -0.332 0.000 0.815 299 L CB 0.904 42.835 42.059 -0.214 0.000 1.109 299 L HN 0.494 nan 8.230 nan 0.000 0.462 300 P HA 0.098 nan 4.420 nan 0.000 0.277 300 P C -0.967 176.198 177.300 -0.225 0.000 1.240 300 P CA -0.645 62.217 63.100 -0.396 0.000 0.798 300 P CB 1.229 32.510 31.700 -0.699 0.000 0.979 301 L N 2.801 123.941 121.223 -0.138 0.000 2.319 301 L HA 0.189 4.529 4.340 0.000 0.000 0.280 301 L C -0.138 176.677 176.870 -0.091 0.000 1.099 301 L CA -0.177 54.627 54.840 -0.061 0.000 0.828 301 L CB 0.704 42.736 42.059 -0.044 0.000 1.150 301 L HN 0.107 nan 8.230 nan 0.000 0.442 302 V N 6.451 126.356 119.914 -0.014 0.000 2.357 302 V HA 0.512 4.632 4.120 0.000 0.000 0.284 302 V C -0.322 175.707 176.094 -0.110 0.000 1.018 302 V CA -0.597 61.627 62.300 -0.127 0.000 0.841 302 V CB 1.462 33.259 31.823 -0.043 0.000 0.991 302 V HN 0.469 nan 8.190 nan 0.000 0.437 303 L N 4.913 126.017 121.223 -0.197 0.000 2.371 303 L HA 0.722 5.062 4.340 0.000 0.000 0.262 303 L C -0.397 176.332 176.870 -0.235 0.000 1.006 303 L CA -0.546 54.222 54.840 -0.121 0.000 0.818 303 L CB 2.165 44.260 42.059 0.059 0.000 1.354 303 L HN 0.809 nan 8.230 nan 0.000 0.415 304 Q N 1.133 120.836 119.800 -0.162 0.000 2.274 304 Q HA 0.906 5.246 4.340 0.000 0.000 0.268 304 Q C -1.355 174.561 176.000 -0.140 0.000 1.015 304 Q CA -0.769 54.939 55.803 -0.158 0.000 0.775 304 Q CB 2.120 30.778 28.738 -0.134 0.000 1.256 304 Q HN 0.708 nan 8.270 nan 0.000 0.442 305 A N 2.599 125.300 122.820 -0.199 0.000 2.295 305 A HA 0.592 4.912 4.320 0.000 0.000 0.318 305 A C 0.102 177.263 177.584 -0.705 0.000 1.134 305 A CA 0.287 52.027 52.037 -0.495 0.000 0.827 305 A CB 0.570 19.496 19.000 -0.124 0.000 1.136 305 A HN 1.018 nan 8.150 nan 0.000 0.493 306 D N 0.478 119.985 120.400 -1.488 0.000 4.187 306 D HA -0.259 4.381 4.640 0.000 0.000 0.175 306 D C 1.332 177.468 176.300 -0.274 0.000 0.709 306 D CA 3.379 56.943 54.000 -0.725 0.000 1.055 306 D CB -1.220 39.373 40.800 -0.345 0.000 0.477 306 D HN 0.939 nan 8.370 nan 0.000 0.438 307 G N -1.007 107.770 108.800 -0.039 0.000 2.944 307 G HA2 0.202 4.162 3.960 0.000 0.000 0.223 307 G HA3 0.202 4.162 3.960 0.000 0.000 0.223 307 G C 0.156 175.132 174.900 0.126 0.000 1.071 307 G CA 0.204 45.372 45.100 0.113 0.000 0.806 307 G HN 0.315 nan 8.290 nan 0.000 0.538 308 Q N 1.538 121.357 119.800 0.032 0.000 2.498 308 Q HA 0.070 4.410 4.340 0.000 0.000 0.299 308 Q C 0.005 176.065 176.000 0.101 0.000 1.178 308 Q CA 0.570 56.391 55.803 0.029 0.000 0.997 308 Q CB 0.420 29.129 28.738 -0.047 0.000 1.306 308 Q HN 0.256 nan 8.270 nan 0.000 0.468 309 D N 2.058 122.479 120.400 0.036 0.000 2.362 309 D HA 0.131 4.771 4.640 0.000 0.000 0.242 309 D C -2.092 174.059 176.300 -0.248 0.000 1.132 309 D CA -1.044 52.947 54.000 -0.015 0.000 0.907 309 D CB 0.153 40.799 40.800 -0.258 0.000 1.195 309 D HN 0.328 nan 8.370 nan 0.000 0.429 310 P HA 0.048 nan 4.420 nan 0.000 0.268 310 P C -0.658 176.327 177.300 -0.524 0.000 1.204 310 P CA 0.175 62.868 63.100 -0.678 0.000 0.768 310 P CB 0.848 31.774 31.700 -1.290 0.000 0.842 311 E N 1.402 121.309 120.200 -0.488 0.000 2.145 311 E HA 0.297 4.647 4.350 0.000 0.000 0.270 311 E C -0.552 175.555 176.600 -0.822 0.000 0.906 311 E CA -1.074 54.960 56.400 -0.610 0.000 0.761 311 E CB 1.698 31.049 29.700 -0.582 0.000 1.116 311 E HN 0.198 nan 8.360 nan 0.000 0.408 312 V N 4.569 124.040 119.914 -0.738 0.000 2.470 312 V HA 0.154 4.274 4.120 0.000 0.000 0.276 312 V C -0.549 175.075 176.094 -0.782 0.000 1.040 312 V CA 0.130 62.071 62.300 -0.599 0.000 1.008 312 V CB -0.303 31.319 31.823 -0.336 0.000 0.990 312 V HN 0.499 nan 8.190 nan 0.000 0.477 313 F N 2.695 122.428 119.950 -0.362 0.000 2.496 313 F HA 0.433 4.960 4.527 0.000 0.000 0.341 313 F C 0.211 175.757 175.800 -0.424 0.000 1.134 313 F CA -1.204 56.448 58.000 -0.580 0.000 0.968 313 F CB 1.581 39.768 39.000 -1.355 0.000 1.205 313 F HN 0.495 nan 8.300 nan 0.000 0.436 314 E N 3.787 124.002 120.200 0.025 0.000 2.366 314 E HA 0.212 4.562 4.350 0.000 0.000 0.266 314 E C -0.469 176.240 176.600 0.181 0.000 1.015 314 E CA 0.122 56.605 56.400 0.139 0.000 0.906 314 E CB 0.398 30.229 29.700 0.219 0.000 0.979 314 E HN 0.498 nan 8.360 nan 0.000 0.443 315 I N 7.071 127.741 120.570 0.167 0.000 2.471 315 I HA 0.148 4.318 4.170 0.000 0.000 0.286 315 I C -1.787 174.463 176.117 0.222 0.000 1.079 315 I CA -2.046 59.397 61.300 0.239 0.000 1.398 315 I CB 0.666 38.751 38.000 0.143 0.000 1.403 315 I HN 0.460 nan 8.210 nan 0.000 0.530 316 P HA 0.054 nan 4.420 nan 0.000 0.259 316 P C -1.967 175.396 177.300 0.105 0.000 1.211 316 P CA -0.769 62.418 63.100 0.146 0.000 0.810 316 P CB 0.136 31.890 31.700 0.089 0.000 0.815 317 P HA -0.240 nan 4.420 nan 0.000 0.218 317 P C 0.853 178.190 177.300 0.062 0.000 1.152 317 P CA 1.453 64.605 63.100 0.086 0.000 0.857 317 P CB -0.063 31.689 31.700 0.086 0.000 0.787 318 D N -1.269 119.161 120.400 0.049 0.000 2.351 318 D HA -0.081 4.559 4.640 0.000 0.000 0.216 318 D C 1.662 177.978 176.300 0.027 0.000 0.968 318 D CA 0.871 54.890 54.000 0.031 0.000 0.899 318 D CB -0.117 40.695 40.800 0.020 0.000 0.907 318 D HN 0.297 nan 8.370 nan 0.000 0.514 319 L N 0.208 121.452 121.223 0.036 0.000 2.477 319 L HA 0.063 4.403 4.340 0.000 0.000 0.220 319 L C 0.551 177.441 176.870 0.034 0.000 1.106 319 L CA 0.112 54.971 54.840 0.031 0.000 0.851 319 L CB 0.663 42.745 42.059 0.037 0.000 0.994 319 L HN -0.233 nan 8.230 nan 0.000 0.462 320 V N 2.393 122.332 119.914 0.042 0.000 2.339 320 V HA 0.124 4.244 4.120 0.000 0.000 0.261 320 V C 0.057 176.181 176.094 0.050 0.000 1.058 320 V CA -0.419 61.907 62.300 0.043 0.000 0.897 320 V CB 1.019 32.871 31.823 0.049 0.000 1.052 320 V HN 0.055 nan 8.190 nan 0.000 0.480 321 L N 5.718 126.969 121.223 0.046 0.000 2.349 321 L HA 0.525 4.865 4.340 0.000 0.000 0.275 321 L C 0.067 176.961 176.870 0.041 0.000 1.115 321 L CA 0.680 55.537 54.840 0.028 0.000 0.820 321 L CB 0.756 42.822 42.059 0.013 0.000 1.135 321 L HN 0.665 nan 8.230 nan 0.000 0.445 322 E N 3.148 123.348 120.200 0.001 0.000 2.343 322 E HA 0.559 4.909 4.350 0.000 0.000 0.270 322 E C -1.538 174.987 176.600 -0.124 0.000 0.895 322 E CA -1.013 55.379 56.400 -0.013 0.000 0.767 322 E CB 2.519 32.240 29.700 0.036 0.000 1.248 322 E HN 0.388 nan 8.360 nan 0.000 0.440 323 V N 1.899 121.696 119.914 -0.196 0.000 2.409 323 V HA 0.251 4.371 4.120 0.000 0.000 0.291 323 V C -0.174 175.836 176.094 -0.139 0.000 1.020 323 V CA -0.756 61.362 62.300 -0.303 0.000 0.848 323 V CB 1.477 32.826 31.823 -0.790 0.000 0.990 323 V HN 0.801 nan 8.190 nan 0.000 0.430 324 T N 3.991 118.482 114.554 -0.104 0.000 2.749 324 T HA 0.464 4.814 4.350 0.000 0.000 0.295 324 T C -0.019 174.692 174.700 0.017 0.000 0.936 324 T CA -0.792 61.275 62.100 -0.054 0.000 1.060 324 T CB 0.631 69.470 68.868 -0.047 0.000 0.904 324 T HN 0.302 nan 8.240 nan 0.000 0.500 325 M N 4.286 123.935 119.600 0.083 0.000 2.227 325 M HA 0.241 4.722 4.480 0.000 0.000 0.349 325 M C 0.500 176.980 176.300 0.299 0.000 1.443 325 M CA 0.151 55.588 55.300 0.228 0.000 1.110 325 M CB -0.698 32.104 32.600 0.337 0.000 1.773 325 M HN 0.932 nan 8.290 nan 0.000 0.463 326 E N 2.226 122.598 120.200 0.288 0.000 2.311 326 E HA 0.285 4.635 4.350 0.000 0.000 0.281 326 E C -1.212 175.471 176.600 0.138 0.000 0.905 326 E CA -0.797 55.778 56.400 0.292 0.000 0.778 326 E CB 1.416 31.228 29.700 0.187 0.000 1.240 326 E HN 0.595 nan 8.360 nan 0.000 0.410 327 H N 4.438 123.423 119.070 -0.142 0.000 2.652 327 H HA 0.135 4.691 4.556 0.000 0.000 0.349 327 H C -1.531 173.596 175.328 -0.334 0.000 1.099 327 H CA -1.606 54.184 56.048 -0.430 0.000 1.417 327 H CB 1.659 31.010 29.762 -0.686 0.000 1.457 327 H HN 0.496 nan 8.280 nan 0.000 0.568 328 P HA -0.036 nan 4.420 nan 0.000 0.237 328 P C 0.443 177.696 177.300 -0.078 0.000 1.178 328 P CA 0.866 63.642 63.100 -0.540 0.000 0.766 328 P CB 0.779 31.942 31.700 -0.894 0.000 0.876 329 K N -1.838 118.688 120.400 0.210 0.000 2.556 329 K HA 0.133 4.453 4.320 0.000 0.000 0.201 329 K C 0.177 176.875 176.600 0.165 0.000 1.423 329 K CA 0.403 56.801 56.287 0.186 0.000 1.010 329 K CB 0.161 32.821 32.500 0.267 0.000 1.409 329 K HN 0.075 nan 8.250 nan 0.000 0.538 330 Y N 3.444 123.503 120.300 -0.401 0.000 2.691 330 Y HA 0.197 4.747 4.550 0.000 0.000 0.338 330 Y C 1.161 176.740 175.900 -0.535 0.000 1.148 330 Y CA -0.910 56.790 58.100 -0.668 0.000 1.430 330 Y CB 0.321 37.988 38.460 -1.322 0.000 1.303 330 Y HN -0.054 nan 8.280 nan 0.000 0.499 331 E N 1.922 122.066 120.200 -0.094 0.000 2.333 331 E HA -0.191 4.159 4.350 0.000 0.000 0.198 331 E C 1.712 178.360 176.600 0.080 0.000 1.007 331 E CA 0.684 57.093 56.400 0.016 0.000 0.845 331 E CB -0.189 29.551 29.700 0.067 0.000 0.766 331 E HN 0.872 nan 8.360 nan 0.000 0.507 332 W N -0.917 120.479 121.300 0.160 0.000 2.800 332 W HA 0.037 4.697 4.660 0.000 0.000 0.249 332 W C 1.450 178.059 176.519 0.150 0.000 1.294 332 W CA -0.349 57.068 57.345 0.120 0.000 1.402 332 W CB -1.052 28.456 29.460 0.080 0.000 1.126 332 W HN -0.100 nan 8.180 nan 0.000 0.652 333 F N 2.679 122.436 119.950 -0.321 0.000 2.134 333 F HA -0.221 4.306 4.527 0.000 0.000 0.299 333 F C 2.983 178.783 175.800 0.001 0.000 1.097 333 F CA 2.702 60.555 58.000 -0.245 0.000 1.264 333 F CB -0.619 38.142 39.000 -0.399 0.000 1.001 333 F HN -0.091 nan 8.300 nan 0.000 0.479 334 Q N 0.376 120.261 119.800 0.143 0.000 2.135 334 Q HA -0.259 4.081 4.340 0.000 0.000 0.204 334 Q C 1.909 177.934 176.000 0.041 0.000 0.981 334 Q CA 2.029 57.889 55.803 0.094 0.000 0.856 334 Q CB -0.271 28.529 28.738 0.102 0.000 0.902 334 Q HN 0.533 nan 8.270 nan 0.000 0.425 335 E N -0.109 120.143 120.200 0.087 0.000 2.331 335 E HA -0.191 4.159 4.350 0.000 0.000 0.199 335 E C 1.570 178.192 176.600 0.037 0.000 1.008 335 E CA 0.548 56.999 56.400 0.085 0.000 0.843 335 E CB 0.043 29.831 29.700 0.146 0.000 0.761 335 E HN 0.301 nan 8.360 nan 0.000 0.507 336 L N -0.451 120.748 121.223 -0.040 0.000 2.376 336 L HA 0.046 4.386 4.340 0.000 0.000 0.219 336 L C 1.494 178.328 176.870 -0.060 0.000 1.133 336 L CA 1.129 55.909 54.840 -0.101 0.000 0.816 336 L CB -0.485 41.381 42.059 -0.320 0.000 0.933 336 L HN 0.200 nan 8.230 nan 0.000 0.449 337 G N -0.017 108.758 108.800 -0.041 0.000 2.273 337 G HA2 -0.283 3.677 3.960 0.000 0.000 0.280 337 G HA3 -0.283 3.677 3.960 0.000 0.000 0.280 337 G C 0.215 175.117 174.900 0.003 0.000 1.047 337 G CA 0.212 45.316 45.100 0.008 0.000 0.869 337 G HN 0.274 nan 8.290 nan 0.000 0.502 338 L N -0.733 120.425 121.223 -0.109 0.000 2.399 338 L HA 0.810 5.150 4.340 0.000 0.000 0.265 338 L C 0.702 177.417 176.870 -0.258 0.000 1.089 338 L CA -0.357 54.375 54.840 -0.180 0.000 0.802 338 L CB 1.592 43.454 42.059 -0.329 0.000 1.180 338 L HN 0.576 nan 8.230 nan 0.000 0.454 339 K N 0.439 120.585 120.400 -0.424 0.000 2.672 339 K HA 0.454 4.774 4.320 0.000 0.000 0.295 339 K C -2.079 174.562 176.600 0.070 0.000 1.042 339 K CA -1.093 55.053 56.287 -0.234 0.000 0.869 339 K CB 1.798 34.048 32.500 -0.416 0.000 1.541 339 K HN 0.587 nan 8.250 nan 0.000 0.396 340 W N 1.478 122.748 121.300 -0.049 0.000 3.153 340 W HA 0.332 4.992 4.660 0.000 0.000 0.316 340 W C -1.419 175.147 176.519 0.079 0.000 1.255 340 W CA -0.780 56.614 57.345 0.081 0.000 1.192 340 W CB 1.457 30.842 29.460 -0.125 0.000 1.400 340 W HN 0.669 nan 8.180 nan 0.000 0.568 341 Y N 1.225 121.408 120.300 -0.195 0.000 2.346 341 Y HA 0.504 5.054 4.550 0.000 0.000 0.330 341 Y C 0.855 176.938 175.900 0.305 0.000 1.178 341 Y CA 0.088 58.162 58.100 -0.044 0.000 1.331 341 Y CB 0.178 38.488 38.460 -0.249 0.000 1.253 341 Y HN 0.351 nan 8.280 nan 0.000 0.529 342 A N 2.978 126.011 122.820 0.355 0.000 2.067 342 A HA 0.047 4.367 4.320 0.000 0.000 0.217 342 A C 0.536 178.451 177.584 0.553 0.000 1.156 342 A CA 0.307 52.617 52.037 0.455 0.000 0.683 342 A CB -0.285 18.825 19.000 0.183 0.000 0.808 342 A HN 0.673 nan 8.150 nan 0.000 0.455 343 L N 1.802 123.287 121.223 0.436 0.000 2.262 343 L HA 0.406 4.746 4.340 0.000 0.000 0.288 343 L C -2.534 174.457 176.870 0.202 0.000 1.035 343 L CA -2.190 52.799 54.840 0.249 0.000 0.820 343 L CB 1.521 43.646 42.059 0.111 0.000 1.204 343 L HN -0.047 nan 8.230 nan 0.000 0.424 344 P HA 0.312 nan 4.420 nan 0.000 0.258 344 P C -1.345 175.827 177.300 -0.214 0.000 1.647 344 P CA -0.304 62.593 63.100 -0.339 0.000 1.099 344 P CB 1.094 32.163 31.700 -1.051 0.000 1.604 345 A N 4.463 127.202 122.820 -0.135 0.000 2.293 345 A HA 0.423 4.743 4.320 0.000 0.000 0.312 345 A C 0.035 177.444 177.584 -0.291 0.000 1.309 345 A CA -0.685 51.237 52.037 -0.192 0.000 0.839 345 A CB 0.770 19.714 19.000 -0.093 0.000 1.155 345 A HN 0.280 nan 8.150 nan 0.000 0.501 346 V N 2.542 122.131 119.914 -0.541 0.000 2.529 346 V HA 0.256 4.376 4.120 0.000 0.000 0.292 346 V C 1.309 177.014 176.094 -0.648 0.000 1.028 346 V CA 1.058 62.964 62.300 -0.656 0.000 1.074 346 V CB 0.565 31.785 31.823 -1.004 0.000 0.958 346 V HN 1.047 nan 8.190 nan 0.000 0.481 347 A N 4.536 127.146 122.820 -0.350 0.000 1.938 347 A HA 0.047 4.367 4.320 0.000 0.000 0.207 347 A C 1.584 179.092 177.584 -0.126 0.000 1.292 347 A CA 0.575 52.490 52.037 -0.202 0.000 0.700 347 A CB -0.312 18.628 19.000 -0.101 0.000 0.947 347 A HN 0.903 nan 8.150 nan 0.000 0.476 348 N N -0.379 118.260 118.700 -0.101 0.000 2.523 348 N HA 0.090 4.830 4.740 0.000 0.000 0.208 348 N C 0.071 175.580 175.510 -0.002 0.000 1.313 348 N CA -0.034 52.999 53.050 -0.028 0.000 0.853 348 N CB -0.154 38.319 38.487 -0.023 0.000 1.090 348 N HN 0.415 nan 8.380 nan 0.000 0.463 349 M N 1.075 120.671 119.600 -0.007 0.000 2.598 349 M HA 0.344 4.824 4.480 0.000 0.000 0.317 349 M C -0.618 175.808 176.300 0.210 0.000 1.201 349 M CA -0.920 54.432 55.300 0.087 0.000 0.971 349 M CB 2.608 35.259 32.600 0.084 0.000 1.657 349 M HN 0.112 nan 8.290 nan 0.000 0.470 350 L N 2.971 124.347 121.223 0.255 0.000 2.295 350 L HA 0.526 4.866 4.340 0.000 0.000 0.285 350 L C -1.350 175.739 176.870 0.364 0.000 1.035 350 L CA -0.937 54.079 54.840 0.293 0.000 0.806 350 L CB 1.184 43.383 42.059 0.233 0.000 1.214 350 L HN 0.597 nan 8.230 nan 0.000 0.426 351 L N 5.296 126.733 121.223 0.357 0.000 2.265 351 L HA 0.457 4.797 4.340 0.000 0.000 0.289 351 L C -0.396 176.636 176.870 0.271 0.000 1.033 351 L CA 0.259 55.237 54.840 0.229 0.000 0.814 351 L CB 1.072 43.223 42.059 0.154 0.000 1.203 351 L HN 0.622 nan 8.230 nan 0.000 0.423 352 E N 4.614 124.936 120.200 0.203 0.000 2.191 352 E HA 0.565 4.915 4.350 0.000 0.000 0.278 352 E C -1.828 174.808 176.600 0.060 0.000 0.972 352 E CA -0.425 56.071 56.400 0.160 0.000 0.804 352 E CB 1.991 31.809 29.700 0.197 0.000 1.110 352 E HN 0.548 nan 8.360 nan 0.000 0.394 353 V N 2.750 122.665 119.914 0.001 0.000 2.924 353 V HA 0.442 4.562 4.120 0.000 0.000 0.300 353 V C 0.309 176.296 176.094 -0.178 0.000 1.227 353 V CA 0.429 62.625 62.300 -0.174 0.000 0.954 353 V CB 1.483 33.117 31.823 -0.315 0.000 1.055 353 V HN 0.886 nan 8.190 nan 0.000 0.429 354 G N 4.026 112.737 108.800 -0.149 0.000 2.402 354 G HA2 0.052 4.012 3.960 0.000 0.000 0.300 354 G HA3 0.052 4.012 3.960 0.000 0.000 0.300 354 G C 1.712 176.775 174.900 0.273 0.000 0.987 354 G CA 1.774 46.980 45.100 0.176 0.000 0.881 354 G HN 2.743 nan 8.290 nan 0.000 0.512 355 G N -2.145 106.746 108.800 0.152 0.000 2.317 355 G HA2 -0.207 3.754 3.960 0.000 0.000 0.227 355 G HA3 -0.207 3.754 3.960 0.000 0.000 0.227 355 G C 0.421 175.368 174.900 0.078 0.000 1.042 355 G CA 0.456 45.683 45.100 0.212 0.000 0.623 355 G HN 1.208 nan 8.290 nan 0.000 0.509 356 L N 2.293 123.512 121.223 -0.008 0.000 2.375 356 L HA 0.618 4.958 4.340 0.000 0.000 0.271 356 L C 0.417 177.147 176.870 -0.233 0.000 1.107 356 L CA -0.145 54.586 54.840 -0.183 0.000 0.806 356 L CB 1.150 42.984 42.059 -0.375 0.000 1.146 356 L HN 0.642 nan 8.230 nan 0.000 0.447 357 E N 2.678 122.692 120.200 -0.310 0.000 2.238 357 E HA 0.402 4.752 4.350 0.000 0.000 0.267 357 E C -1.730 174.665 176.600 -0.342 0.000 0.887 357 E CA -0.639 55.645 56.400 -0.192 0.000 0.769 357 E CB 1.580 31.237 29.700 -0.072 0.000 1.187 357 E HN 0.262 nan 8.360 nan 0.000 0.416 358 F N 2.538 122.513 119.950 0.041 0.000 2.311 358 F HA 0.282 4.809 4.527 0.000 0.000 0.371 358 F C -1.590 174.287 175.800 0.127 0.000 1.083 358 F CA -2.504 55.544 58.000 0.080 0.000 1.113 358 F CB 1.694 40.732 39.000 0.064 0.000 1.349 358 F HN 0.366 nan 8.300 nan 0.000 0.470 359 P HA -0.023 nan 4.420 nan 0.000 0.234 359 P C -0.029 177.412 177.300 0.235 0.000 1.167 359 P CA 0.636 63.864 63.100 0.214 0.000 0.763 359 P CB 0.488 32.289 31.700 0.168 0.000 0.835 360 A N 0.281 123.279 122.820 0.298 0.000 2.411 360 A HA 0.557 4.877 4.320 0.000 0.000 0.285 360 A C -0.199 177.618 177.584 0.388 0.000 1.129 360 A CA -0.413 51.791 52.037 0.280 0.000 0.736 360 A CB 0.430 19.552 19.000 0.204 0.000 1.186 360 A HN 0.287 nan 8.150 nan 0.000 0.445 361 C N 0.859 120.343 119.300 0.308 0.000 2.993 361 C HA 0.439 4.899 4.460 0.000 0.000 0.298 361 C C -3.078 172.007 174.990 0.159 0.000 0.906 361 C CA -1.357 57.814 59.018 0.255 0.000 1.090 361 C CB -0.372 27.493 27.740 0.209 0.000 1.656 361 C HN 0.575 nan 8.230 nan 0.000 0.648 362 P HA 0.386 nan 4.420 nan 0.000 0.268 362 P C -0.537 176.687 177.300 -0.125 0.000 1.205 362 P CA 0.878 63.903 63.100 -0.125 0.000 0.771 362 P CB 0.560 32.263 31.700 0.004 0.000 0.858 363 F N 0.100 119.965 119.950 -0.140 0.000 2.650 363 F HA 0.712 5.239 4.527 0.000 0.000 0.320 363 F C -0.603 175.097 175.800 -0.166 0.000 1.091 363 F CA -1.127 56.757 58.000 -0.193 0.000 0.962 363 F CB 1.698 40.425 39.000 -0.455 0.000 1.363 363 F HN 0.384 nan 8.300 nan 0.000 0.482 364 N N -0.462 118.265 118.700 0.046 0.000 2.710 364 N HA 0.651 5.391 4.740 0.000 0.000 0.257 364 N C -1.352 174.027 175.510 -0.218 0.000 1.327 364 N CA -0.413 52.572 53.050 -0.108 0.000 0.861 364 N CB 1.839 40.268 38.487 -0.097 0.000 1.532 364 N HN 1.090 nan 8.380 nan 0.000 0.499 365 G N -0.640 108.000 108.800 -0.265 0.000 3.253 365 G HA2 0.686 4.646 3.960 0.000 0.000 0.175 365 G HA3 0.686 4.646 3.960 0.000 0.000 0.175 365 G C -1.729 173.108 174.900 -0.105 0.000 1.098 365 G CA -0.641 44.248 45.100 -0.352 0.000 0.790 365 G HN 0.706 nan 8.290 nan 0.000 0.648 366 W N -1.591 119.661 121.300 -0.080 0.000 2.902 366 W HA 0.826 5.486 4.660 0.000 0.000 0.346 366 W C -1.318 175.146 176.519 -0.092 0.000 1.139 366 W CA -2.074 55.237 57.345 -0.057 0.000 1.139 366 W CB 0.368 29.843 29.460 0.025 0.000 1.439 366 W HN 0.419 nan 8.180 nan 0.000 0.558 367 Y N 1.962 122.415 120.300 0.255 0.000 2.330 367 Y HA 0.308 4.858 4.550 0.000 0.000 0.341 367 Y C 0.658 176.577 175.900 0.032 0.000 1.278 367 Y CA -0.507 57.612 58.100 0.032 0.000 1.453 367 Y CB 0.955 39.323 38.460 -0.153 0.000 1.342 367 Y HN 0.400 nan 8.280 nan 0.000 0.590 368 M N 1.446 121.139 119.600 0.154 0.000 2.142 368 M HA 0.334 4.814 4.480 0.000 0.000 0.299 368 M C 0.971 177.204 176.300 -0.111 0.000 0.960 368 M CA -0.265 55.056 55.300 0.035 0.000 0.920 368 M CB 1.385 33.992 32.600 0.011 0.000 1.541 368 M HN 0.849 nan 8.290 nan 0.000 0.429 369 G N 2.053 110.745 108.800 -0.179 0.000 2.805 369 G HA2 -0.408 3.552 3.960 0.000 0.000 0.227 369 G HA3 -0.408 3.552 3.960 0.000 0.000 0.227 369 G C 1.112 175.805 174.900 -0.346 0.000 1.143 369 G CA 2.328 47.253 45.100 -0.291 0.000 0.759 369 G HN 0.872 nan 8.290 nan 0.000 0.634 370 T N -1.016 113.335 114.554 -0.337 0.000 2.849 370 T HA -0.067 4.283 4.350 0.000 0.000 0.270 370 T C 1.941 176.422 174.700 -0.364 0.000 1.066 370 T CA 1.784 63.642 62.100 -0.403 0.000 1.130 370 T CB -0.333 68.235 68.868 -0.500 0.000 0.864 370 T HN 0.591 nan 8.240 nan 0.000 0.481 371 E N 0.909 120.921 120.200 -0.312 0.000 2.058 371 E HA -0.065 4.285 4.350 0.000 0.000 0.194 371 E C 2.128 178.419 176.600 -0.515 0.000 0.997 371 E CA 1.557 57.786 56.400 -0.284 0.000 0.801 371 E CB -0.293 29.382 29.700 -0.041 0.000 0.746 371 E HN 0.613 nan 8.360 nan 0.000 0.450 372 I N 0.100 120.208 120.570 -0.771 0.000 2.270 372 I HA -0.047 4.123 4.170 0.000 0.000 0.239 372 I C 2.625 178.094 176.117 -1.080 0.000 1.080 372 I CA 0.874 61.411 61.300 -1.271 0.000 1.383 372 I CB -0.629 36.511 38.000 -1.433 0.000 1.097 372 I HN 0.108 nan 8.210 nan 0.000 0.420 373 G N 0.864 109.284 108.800 -0.633 0.000 2.418 373 G HA2 -0.146 3.814 3.960 0.000 0.000 0.217 373 G HA3 -0.146 3.814 3.960 0.000 0.000 0.217 373 G C 1.621 176.422 174.900 -0.165 0.000 1.158 373 G CA 1.150 46.088 45.100 -0.270 0.000 0.771 373 G HN 0.223 nan 8.290 nan 0.000 0.545 374 V N 0.392 120.152 119.914 -0.257 0.000 2.391 374 V HA 0.044 4.164 4.120 0.000 0.000 0.237 374 V C 2.830 178.825 176.094 -0.165 0.000 1.046 374 V CA 1.078 63.266 62.300 -0.187 0.000 1.053 374 V CB -0.369 31.311 31.823 -0.239 0.000 0.704 374 V HN 0.136 nan 8.190 nan 0.000 0.475 375 R N 0.835 121.195 120.500 -0.234 0.000 2.070 375 R HA -0.081 4.259 4.340 0.000 0.000 0.227 375 R C 1.995 178.206 176.300 -0.148 0.000 1.147 375 R CA 1.716 57.705 56.100 -0.186 0.000 0.924 375 R CB -1.337 28.834 30.300 -0.216 0.000 0.827 375 R HN 0.467 nan 8.270 nan 0.000 0.431 376 D N 0.540 120.749 120.400 -0.318 0.000 2.106 376 D HA -0.165 4.475 4.640 0.000 0.000 0.191 376 D C 1.974 178.280 176.300 0.009 0.000 0.997 376 D CA 1.310 55.112 54.000 -0.331 0.000 0.834 376 D CB -0.290 39.790 40.800 -1.200 0.000 0.956 376 D HN 0.096 nan 8.370 nan 0.000 0.448 377 F N 0.402 120.260 119.950 -0.153 0.000 2.179 377 F HA 0.001 4.528 4.527 0.000 0.000 0.292 377 F C 2.524 178.367 175.800 0.072 0.000 1.089 377 F CA -0.080 57.919 58.000 -0.003 0.000 1.295 377 F CB -0.894 38.077 39.000 -0.048 0.000 1.041 377 F HN 0.042 nan 8.300 nan 0.000 0.487 378 C N -1.064 118.360 119.300 0.208 0.000 2.673 378 C HA 0.145 4.606 4.460 0.000 0.000 0.264 378 C C 0.480 175.523 174.990 0.088 0.000 1.304 378 C CA -0.825 58.272 59.018 0.131 0.000 1.727 378 C CB -0.979 26.803 27.740 0.070 0.000 1.932 378 C HN 0.106 nan 8.230 nan 0.000 0.563 379 D N 1.785 122.232 120.400 0.079 0.000 2.455 379 D HA 0.076 4.716 4.640 0.000 0.000 0.241 379 D C 1.582 177.937 176.300 0.091 0.000 1.138 379 D CA 0.494 54.532 54.000 0.063 0.000 0.877 379 D CB 1.042 41.879 40.800 0.062 0.000 1.187 379 D HN 0.420 nan 8.370 nan 0.000 0.451 380 T N -0.193 114.404 114.554 0.073 0.000 2.915 380 T HA -0.222 4.128 4.350 0.000 0.000 0.269 380 T C 1.390 176.136 174.700 0.077 0.000 1.071 380 T CA 0.794 62.939 62.100 0.076 0.000 1.132 380 T CB -0.051 68.855 68.868 0.062 0.000 0.878 380 T HN 0.508 nan 8.240 nan 0.000 0.479 381 Q N 0.454 120.305 119.800 0.085 0.000 2.451 381 Q HA 0.116 4.456 4.340 0.000 0.000 0.206 381 Q C 1.111 177.165 176.000 0.090 0.000 0.947 381 Q CA 0.169 56.026 55.803 0.091 0.000 0.937 381 Q CB 0.110 28.921 28.738 0.121 0.000 1.025 381 Q HN 0.402 nan 8.270 nan 0.000 0.511 382 R N -0.212 120.352 120.500 0.106 0.000 2.769 382 R HA 0.236 4.576 4.340 0.000 0.000 0.117 382 R C 1.526 177.885 176.300 0.100 0.000 1.152 382 R CA -0.437 55.742 56.100 0.133 0.000 0.887 382 R CB -1.106 29.334 30.300 0.234 0.000 1.099 382 R HN 0.062 nan 8.270 nan 0.000 0.398 383 Y N 1.652 122.075 120.300 0.205 0.000 2.574 383 Y HA -0.097 4.453 4.550 0.000 0.000 0.294 383 Y C 0.654 176.640 175.900 0.142 0.000 1.142 383 Y CA 0.851 59.073 58.100 0.203 0.000 1.314 383 Y CB -0.424 38.238 38.460 0.338 0.000 0.991 383 Y HN 0.458 nan 8.280 nan 0.000 0.555 384 N N 0.856 119.702 118.700 0.243 0.000 2.689 384 N HA -0.237 4.503 4.740 0.000 0.000 0.263 384 N C 0.451 176.060 175.510 0.165 0.000 0.987 384 N CA 0.875 54.026 53.050 0.170 0.000 0.782 384 N CB -1.249 37.307 38.487 0.116 0.000 0.903 384 N HN 0.678 nan 8.380 nan 0.000 0.547 385 I N -3.566 117.113 120.570 0.181 0.000 3.728 385 I HA 0.035 4.205 4.170 0.000 0.000 0.307 385 I C 1.797 178.012 176.117 0.164 0.000 1.276 385 I CA -0.414 60.969 61.300 0.138 0.000 1.285 385 I CB -0.085 37.953 38.000 0.063 0.000 1.038 385 I HN 0.149 nan 8.210 nan 0.000 0.445 386 L N 1.919 123.252 121.223 0.183 0.000 2.034 386 L HA -0.276 4.064 4.340 0.000 0.000 0.217 386 L C 2.575 179.670 176.870 0.375 0.000 1.077 386 L CA 2.628 57.605 54.840 0.229 0.000 0.769 386 L CB -0.667 41.473 42.059 0.135 0.000 0.890 386 L HN 0.586 nan 8.230 nan 0.000 0.435 387 E N -0.325 120.073 120.200 0.330 0.000 2.047 387 E HA -0.300 4.050 4.350 0.000 0.000 0.191 387 E C 1.937 178.602 176.600 0.108 0.000 0.987 387 E CA 1.454 58.010 56.400 0.259 0.000 0.799 387 E CB 0.031 29.811 29.700 0.134 0.000 0.752 387 E HN 0.398 nan 8.360 nan 0.000 0.449 388 E N 0.020 120.280 120.200 0.101 0.000 2.153 388 E HA -0.142 4.208 4.350 0.000 0.000 0.194 388 E C 1.828 178.479 176.600 0.084 0.000 0.988 388 E CA 1.284 57.715 56.400 0.052 0.000 0.811 388 E CB 0.041 29.771 29.700 0.049 0.000 0.746 388 E HN 0.204 nan 8.360 nan 0.000 0.466 389 V N -0.462 119.570 119.914 0.197 0.000 2.649 389 V HA 0.044 4.164 4.120 0.000 0.000 0.248 389 V C 2.204 178.491 176.094 0.322 0.000 1.054 389 V CA 1.454 63.957 62.300 0.338 0.000 1.073 389 V CB -0.389 31.680 31.823 0.410 0.000 0.699 389 V HN 0.439 nan 8.190 nan 0.000 0.463 390 G N -0.197 108.780 108.800 0.295 0.000 2.464 390 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 390 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 390 G C 1.691 176.588 174.900 -0.005 0.000 1.138 390 G CA 0.500 45.762 45.100 0.269 0.000 0.793 390 G HN 0.390 nan 8.290 nan 0.000 0.539 391 R N 0.311 120.757 120.500 -0.091 0.000 2.062 391 R HA 0.124 4.464 4.340 0.000 0.000 0.229 391 R C 2.509 178.685 176.300 -0.208 0.000 1.128 391 R CA 0.851 56.849 56.100 -0.171 0.000 0.960 391 R CB -0.193 30.015 30.300 -0.153 0.000 0.855 391 R HN 0.177 nan 8.270 nan 0.000 0.432 392 R N -0.639 119.682 120.500 -0.298 0.000 2.307 392 R HA 0.055 4.395 4.340 0.000 0.000 0.199 392 R C 1.566 177.482 176.300 -0.641 0.000 1.000 392 R CA 0.701 56.401 56.100 -0.667 0.000 1.023 392 R CB 0.068 29.651 30.300 -1.195 0.000 0.908 392 R HN 0.290 nan 8.270 nan 0.000 0.473 393 M N -0.937 118.570 119.600 -0.154 0.000 2.502 393 M HA 0.124 4.604 4.480 0.000 0.000 0.243 393 M C 0.770 177.085 176.300 0.025 0.000 1.130 393 M CA 0.440 55.816 55.300 0.126 0.000 1.055 393 M CB 0.938 33.757 32.600 0.366 0.000 1.457 393 M HN 0.399 nan 8.290 nan 0.000 0.488 394 G N 1.515 110.274 108.800 -0.068 0.000 2.148 394 G HA2 -0.238 3.722 3.960 0.000 0.000 0.254 394 G HA3 -0.238 3.722 3.960 0.000 0.000 0.254 394 G C 0.046 174.929 174.900 -0.029 0.000 0.981 394 G CA -0.097 44.965 45.100 -0.064 0.000 0.670 394 G HN 0.401 nan 8.290 nan 0.000 0.528 395 L N -0.309 120.910 121.223 -0.007 0.000 2.466 395 L HA 0.427 4.767 4.340 0.000 0.000 0.257 395 L C 0.923 177.728 176.870 -0.108 0.000 1.189 395 L CA -0.616 54.233 54.840 0.016 0.000 0.813 395 L CB 0.399 42.547 42.059 0.148 0.000 1.118 395 L HN 0.127 nan 8.230 nan 0.000 0.471 396 E N 0.258 120.412 120.200 -0.077 0.000 1.842 396 E HA 0.014 4.364 4.350 0.000 0.000 0.278 396 E C 0.526 176.848 176.600 -0.462 0.000 1.171 396 E CA -0.141 56.178 56.400 -0.135 0.000 1.127 396 E CB 0.113 29.814 29.700 0.001 0.000 1.100 396 E HN 0.529 nan 8.360 nan 0.000 0.456 397 T N 0.924 115.024 114.554 -0.756 0.000 2.946 397 T HA -0.150 4.200 4.350 0.000 0.000 0.271 397 T C 0.854 174.976 174.700 -0.963 0.000 1.104 397 T CA 0.980 62.193 62.100 -1.479 0.000 1.114 397 T CB -0.117 68.058 68.868 -1.154 0.000 0.867 397 T HN 0.519 nan 8.240 nan 0.000 0.513 398 H N 0.090 118.966 119.070 -0.324 0.000 2.520 398 H HA 0.236 4.792 4.556 0.000 0.000 0.284 398 H C -0.012 175.326 175.328 0.017 0.000 1.037 398 H CA 0.192 56.180 56.048 -0.100 0.000 1.168 398 H CB 0.546 30.258 29.762 -0.084 0.000 1.497 398 H HN 0.167 nan 8.280 nan 0.000 0.547 399 T N 2.603 117.241 114.554 0.141 0.000 2.930 399 T HA 0.109 4.459 4.350 0.000 0.000 0.313 399 T C 1.162 176.058 174.700 0.327 0.000 1.019 399 T CA -0.507 61.709 62.100 0.193 0.000 1.004 399 T CB 1.666 70.618 68.868 0.138 0.000 0.987 399 T HN -0.021 nan 8.240 nan 0.000 0.456 400 L N 2.167 123.557 121.223 0.279 0.000 2.042 400 L HA -0.096 4.244 4.340 0.000 0.000 0.210 400 L C 2.760 179.720 176.870 0.149 0.000 1.076 400 L CA 2.035 57.009 54.840 0.224 0.000 0.749 400 L CB -1.548 40.582 42.059 0.118 0.000 0.893 400 L HN 0.786 nan 8.230 nan 0.000 0.432 401 A N -0.179 122.718 122.820 0.128 0.000 2.076 401 A HA -0.201 4.119 4.320 0.000 0.000 0.220 401 A C 2.402 180.050 177.584 0.107 0.000 1.160 401 A CA 1.722 53.814 52.037 0.093 0.000 0.653 401 A CB -0.618 18.428 19.000 0.077 0.000 0.801 401 A HN 0.603 nan 8.150 nan 0.000 0.455 402 S N -0.540 115.262 115.700 0.171 0.000 2.507 402 S HA 0.058 4.528 4.470 0.000 0.000 0.235 402 S C 0.883 175.583 174.600 0.167 0.000 0.988 402 S CA 0.754 59.060 58.200 0.177 0.000 0.944 402 S CB -0.789 62.546 63.200 0.225 0.000 0.762 402 S HN 0.908 nan 8.310 nan 0.000 0.526 403 L N 0.144 121.438 121.223 0.119 0.000 3.865 403 L HA -0.171 4.169 4.340 0.000 0.000 0.408 403 L C 1.612 178.503 176.870 0.035 0.000 1.209 403 L CA 0.775 55.624 54.840 0.014 0.000 0.940 403 L CB -2.729 39.343 42.059 0.022 0.000 1.971 403 L HN 0.760 nan 8.230 nan 0.000 0.899 404 W N 0.257 121.579 121.300 0.036 0.000 2.392 404 W HA -0.132 4.528 4.660 0.000 0.000 0.279 404 W C 1.683 178.231 176.519 0.048 0.000 1.225 404 W CA 1.244 58.616 57.345 0.044 0.000 1.233 404 W CB -0.680 28.802 29.460 0.037 0.000 1.122 404 W HN 0.295 nan 8.180 nan 0.000 0.561 405 K N 1.019 120.956 120.400 -0.772 0.000 2.057 405 K HA -0.149 4.171 4.320 0.000 0.000 0.206 405 K C 1.465 177.907 176.600 -0.264 0.000 1.050 405 K CA 2.207 58.053 56.287 -0.736 0.000 0.935 405 K CB -0.361 31.591 32.500 -0.913 0.000 0.715 405 K HN 0.018 nan 8.250 nan 0.000 0.439 406 D N 0.230 120.519 120.400 -0.184 0.000 2.219 406 D HA -0.114 4.526 4.640 0.000 0.000 0.205 406 D C 1.888 178.181 176.300 -0.012 0.000 0.970 406 D CA 0.906 54.857 54.000 -0.082 0.000 0.851 406 D CB 0.053 40.819 40.800 -0.056 0.000 0.943 406 D HN 0.021 nan 8.370 nan 0.000 0.488 407 R N 0.535 121.054 120.500 0.031 0.000 2.062 407 R HA 0.106 4.446 4.340 0.000 0.000 0.229 407 R C 2.035 178.405 176.300 0.117 0.000 1.128 407 R CA 1.301 57.458 56.100 0.095 0.000 0.960 407 R CB -0.438 29.956 30.300 0.157 0.000 0.855 407 R HN 0.138 nan 8.270 nan 0.000 0.432 408 A N -0.100 122.812 122.820 0.153 0.000 1.835 408 A HA -0.165 4.155 4.320 0.000 0.000 0.215 408 A C 2.239 179.897 177.584 0.123 0.000 1.199 408 A CA 1.805 53.960 52.037 0.197 0.000 0.615 408 A CB -1.299 17.869 19.000 0.279 0.000 0.838 408 A HN 0.247 nan 8.150 nan 0.000 0.444 409 V N 0.069 120.019 119.914 0.059 0.000 2.370 409 V HA -0.262 3.858 4.120 0.000 0.000 0.252 409 V C 2.500 178.597 176.094 0.005 0.000 1.068 409 V CA 3.095 65.411 62.300 0.026 0.000 1.061 409 V CB -0.961 30.842 31.823 -0.032 0.000 0.656 409 V HN 0.669 nan 8.190 nan 0.000 0.455 410 T N -0.257 114.302 114.554 0.007 0.000 2.821 410 T HA -0.116 4.234 4.350 0.000 0.000 0.267 410 T C 1.766 176.448 174.700 -0.030 0.000 1.046 410 T CA 1.499 63.599 62.100 0.000 0.000 1.139 410 T CB -0.238 68.643 68.868 0.021 0.000 0.871 410 T HN 0.547 nan 8.240 nan 0.000 0.454 411 E N 1.014 121.202 120.200 -0.020 0.000 2.106 411 E HA 0.036 4.386 4.350 0.000 0.000 0.192 411 E C 2.210 178.706 176.600 -0.173 0.000 0.984 411 E CA 0.621 56.975 56.400 -0.077 0.000 0.806 411 E CB -0.359 29.269 29.700 -0.119 0.000 0.750 411 E HN 0.535 nan 8.360 nan 0.000 0.458 412 I N 1.484 122.028 120.570 -0.043 0.000 2.315 412 I HA -0.233 3.937 4.170 0.000 0.000 0.248 412 I C 2.014 178.094 176.117 -0.063 0.000 1.117 412 I CA 0.692 61.998 61.300 0.010 0.000 1.404 412 I CB -0.316 37.811 38.000 0.212 0.000 1.071 412 I HN 0.022 nan 8.210 nan 0.000 0.419 413 N N 0.896 119.549 118.700 -0.078 0.000 2.084 413 N HA -0.139 4.601 4.740 0.000 0.000 0.190 413 N C 2.025 177.451 175.510 -0.139 0.000 1.030 413 N CA 1.891 54.878 53.050 -0.106 0.000 0.849 413 N CB -0.394 38.044 38.487 -0.081 0.000 1.012 413 N HN 0.374 nan 8.380 nan 0.000 0.423 414 V N -1.045 118.753 119.914 -0.194 0.000 2.515 414 V HA 0.017 4.137 4.120 0.000 0.000 0.250 414 V C 2.307 178.186 176.094 -0.358 0.000 1.058 414 V CA 1.589 63.735 62.300 -0.258 0.000 1.064 414 V CB -1.192 30.442 31.823 -0.316 0.000 0.675 414 V HN 0.172 nan 8.190 nan 0.000 0.461 415 A N 0.715 123.231 122.820 -0.507 0.000 1.877 415 A HA -0.094 4.226 4.320 0.000 0.000 0.216 415 A C 2.408 179.914 177.584 -0.130 0.000 1.186 415 A CA 2.325 54.050 52.037 -0.521 0.000 0.620 415 A CB -0.959 17.496 19.000 -0.908 0.000 0.822 415 A HN 0.429 nan 8.150 nan 0.000 0.443 416 V N -0.289 119.593 119.914 -0.053 0.000 2.255 416 V HA -0.256 3.865 4.120 0.000 0.000 0.247 416 V C 2.550 178.670 176.094 0.044 0.000 1.051 416 V CA 2.072 64.401 62.300 0.048 0.000 1.018 416 V CB -0.825 30.935 31.823 -0.106 0.000 0.641 416 V HN 0.488 nan 8.190 nan 0.000 0.445 417 L N -0.434 120.755 121.223 -0.056 0.000 2.046 417 L HA -0.199 4.141 4.340 0.000 0.000 0.208 417 L C 2.471 179.360 176.870 0.032 0.000 1.077 417 L CA 2.198 57.017 54.840 -0.035 0.000 0.747 417 L CB -1.217 40.814 42.059 -0.046 0.000 0.896 417 L HN 0.489 nan 8.230 nan 0.000 0.432 418 H N -0.969 118.050 119.070 -0.086 0.000 2.321 418 H HA -0.130 4.426 4.556 0.000 0.000 0.300 418 H C 2.170 177.486 175.328 -0.019 0.000 1.087 418 H CA 1.741 57.736 56.048 -0.088 0.000 1.319 418 H CB 0.411 30.058 29.762 -0.192 0.000 1.379 418 H HN 0.297 nan 8.280 nan 0.000 0.501 419 S N 0.322 115.964 115.700 -0.097 0.000 2.359 419 S HA -0.141 4.329 4.470 0.000 0.000 0.224 419 S C 1.989 176.547 174.600 -0.070 0.000 1.035 419 S CA 1.408 59.544 58.200 -0.107 0.000 1.018 419 S CB -0.541 62.689 63.200 0.050 0.000 0.876 419 S HN 0.301 nan 8.310 nan 0.000 0.448 420 F N 1.606 121.484 119.950 -0.119 0.000 2.171 420 F HA -0.089 4.438 4.527 0.000 0.000 0.300 420 F C 2.682 178.414 175.800 -0.113 0.000 1.090 420 F CA 1.161 59.108 58.000 -0.089 0.000 1.293 420 F CB -0.638 38.325 39.000 -0.061 0.000 1.013 420 F HN 0.163 nan 8.300 nan 0.000 0.486 421 Q N 0.643 120.472 119.800 0.049 0.000 2.020 421 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 421 Q C 2.304 178.241 176.000 -0.104 0.000 0.982 421 Q CA 1.983 57.765 55.803 -0.036 0.000 0.838 421 Q CB -0.212 28.496 28.738 -0.050 0.000 0.899 421 Q HN 0.276 nan 8.270 nan 0.000 0.423 422 K N -0.243 120.027 120.400 -0.217 0.000 2.026 422 K HA -0.171 4.149 4.320 0.000 0.000 0.208 422 K C 1.567 178.081 176.600 -0.143 0.000 1.048 422 K CA 1.715 57.869 56.287 -0.222 0.000 0.929 422 K CB 0.026 32.296 32.500 -0.383 0.000 0.713 422 K HN 0.309 nan 8.250 nan 0.000 0.439 423 Q N 0.812 120.522 119.800 -0.149 0.000 2.329 423 Q HA 0.054 4.394 4.340 0.000 0.000 0.208 423 Q C -0.638 175.299 176.000 -0.105 0.000 0.934 423 Q CA -0.140 55.586 55.803 -0.128 0.000 0.951 423 Q CB 0.082 28.721 28.738 -0.165 0.000 1.017 423 Q HN 0.295 nan 8.270 nan 0.000 0.490 424 N N 0.137 118.787 118.700 -0.083 0.000 2.714 424 N HA -0.154 4.586 4.740 0.000 0.000 0.252 424 N C -1.369 174.110 175.510 -0.052 0.000 1.014 424 N CA 0.605 53.618 53.050 -0.062 0.000 0.735 424 N CB -1.129 37.322 38.487 -0.059 0.000 0.924 424 N HN 0.046 nan 8.380 nan 0.000 0.540 425 V N 0.813 120.711 119.914 -0.027 0.000 2.487 425 V HA 0.246 4.366 4.120 0.000 0.000 0.298 425 V C 0.757 176.944 176.094 0.155 0.000 1.028 425 V CA -0.705 61.612 62.300 0.029 0.000 0.860 425 V CB 2.094 33.874 31.823 -0.073 0.000 0.991 425 V HN 0.192 nan 8.190 nan 0.000 0.427 426 T N 6.256 120.847 114.554 0.061 0.000 2.946 426 T HA 0.433 4.783 4.350 0.000 0.000 0.312 426 T C -0.209 174.521 174.700 0.050 0.000 1.066 426 T CA 0.804 62.862 62.100 -0.069 0.000 1.138 426 T CB 0.208 68.894 68.868 -0.304 0.000 1.014 426 T HN 0.596 nan 8.240 nan 0.000 0.544 427 I N 1.917 122.429 120.570 -0.096 0.000 2.793 427 I HA 0.439 4.609 4.170 0.000 0.000 0.295 427 I C -1.763 174.325 176.117 -0.048 0.000 1.610 427 I CA -0.868 60.398 61.300 -0.057 0.000 0.986 427 I CB 1.863 39.694 38.000 -0.282 0.000 1.402 427 I HN 0.666 nan 8.210 nan 0.000 0.500 428 M N 6.295 125.936 119.600 0.069 0.000 2.393 428 M HA 0.398 4.878 4.480 0.000 0.000 0.299 428 M C -1.403 174.938 176.300 0.068 0.000 1.103 428 M CA -0.612 54.744 55.300 0.093 0.000 0.910 428 M CB 1.728 34.472 32.600 0.239 0.000 1.659 428 M HN 0.578 nan 8.290 nan 0.000 0.445 429 D N 3.120 123.558 120.400 0.064 0.000 2.360 429 D HA 0.018 4.658 4.640 0.000 0.000 0.242 429 D C 0.667 177.040 176.300 0.121 0.000 1.184 429 D CA -0.121 53.945 54.000 0.109 0.000 0.930 429 D CB 0.495 41.359 40.800 0.106 0.000 1.161 429 D HN 0.835 nan 8.370 nan 0.000 0.447 430 H N 0.270 119.273 119.070 -0.113 0.000 2.421 430 H HA -0.145 4.411 4.556 0.000 0.000 0.298 430 H C 1.473 176.690 175.328 -0.185 0.000 1.087 430 H CA 1.312 57.246 56.048 -0.191 0.000 1.330 430 H CB -0.857 28.724 29.762 -0.302 0.000 1.388 430 H HN 0.533 nan 8.280 nan 0.000 0.526 431 H N 0.917 119.802 119.070 -0.309 0.000 2.276 431 H HA -0.047 4.509 4.556 0.000 0.000 0.301 431 H C 2.025 177.313 175.328 -0.067 0.000 1.073 431 H CA 2.055 57.975 56.048 -0.214 0.000 1.311 431 H CB -0.377 29.228 29.762 -0.262 0.000 1.379 431 H HN 0.397 nan 8.280 nan 0.000 0.494 432 T N 1.287 115.898 114.554 0.094 0.000 2.788 432 T HA -0.096 4.254 4.350 0.000 0.000 0.268 432 T C 2.341 177.099 174.700 0.096 0.000 1.044 432 T CA 1.112 63.262 62.100 0.082 0.000 1.139 432 T CB -0.420 68.491 68.868 0.072 0.000 0.867 432 T HN 0.430 nan 8.240 nan 0.000 0.454 433 A N 1.547 124.422 122.820 0.093 0.000 1.877 433 A HA -0.105 4.215 4.320 0.000 0.000 0.216 433 A C 2.635 180.287 177.584 0.114 0.000 1.186 433 A CA 1.971 54.073 52.037 0.109 0.000 0.620 433 A CB -0.920 18.130 19.000 0.084 0.000 0.822 433 A HN 0.446 nan 8.150 nan 0.000 0.443 434 S N -0.251 115.493 115.700 0.073 0.000 2.368 434 S HA -0.155 4.315 4.470 0.000 0.000 0.225 434 S C 1.825 176.514 174.600 0.149 0.000 1.030 434 S CA 1.427 59.682 58.200 0.092 0.000 0.999 434 S CB -0.334 62.881 63.200 0.024 0.000 0.844 434 S HN 0.689 nan 8.310 nan 0.000 0.459 435 E N 1.266 121.535 120.200 0.115 0.000 2.110 435 E HA -0.129 4.221 4.350 0.000 0.000 0.193 435 E C 2.409 179.078 176.600 0.115 0.000 0.988 435 E CA 1.438 57.901 56.400 0.106 0.000 0.804 435 E CB -0.215 29.534 29.700 0.081 0.000 0.745 435 E HN 0.645 nan 8.360 nan 0.000 0.458 436 S N 0.634 116.413 115.700 0.133 0.000 2.387 436 S HA -0.145 4.325 4.470 0.000 0.000 0.226 436 S C 1.907 176.603 174.600 0.159 0.000 1.026 436 S CA 0.426 58.706 58.200 0.132 0.000 0.972 436 S CB -0.488 62.796 63.200 0.140 0.000 0.814 436 S HN 0.277 nan 8.310 nan 0.000 0.477 437 F N 2.204 122.193 119.950 0.065 0.000 2.171 437 F HA 0.053 4.580 4.527 0.000 0.000 0.300 437 F C 2.309 178.179 175.800 0.116 0.000 1.090 437 F CA 1.264 59.314 58.000 0.084 0.000 1.293 437 F CB -0.307 38.716 39.000 0.039 0.000 1.013 437 F HN 0.101 nan 8.300 nan 0.000 0.486 438 M N -0.001 119.660 119.600 0.102 0.000 2.099 438 M HA -0.174 4.306 4.480 0.000 0.000 0.262 438 M C 2.230 178.493 176.300 -0.062 0.000 1.067 438 M CA 1.522 56.828 55.300 0.010 0.000 1.124 438 M CB -1.128 31.521 32.600 0.081 0.000 1.353 438 M HN 0.052 nan 8.290 nan 0.000 0.410 439 K N -0.344 120.052 120.400 -0.007 0.000 2.147 439 K HA -0.200 4.120 4.320 0.000 0.000 0.205 439 K C 1.867 178.444 176.600 -0.039 0.000 1.049 439 K CA 1.578 57.860 56.287 -0.009 0.000 0.936 439 K CB -0.519 31.999 32.500 0.030 0.000 0.722 439 K HN 0.350 nan 8.250 nan 0.000 0.446 440 H N -0.208 118.756 119.070 -0.176 0.000 2.321 440 H HA 0.017 4.573 4.556 0.000 0.000 0.300 440 H C 1.836 177.003 175.328 -0.268 0.000 1.087 440 H CA 2.411 58.322 56.048 -0.229 0.000 1.319 440 H CB -0.088 29.459 29.762 -0.358 0.000 1.379 440 H HN 0.142 nan 8.280 nan 0.000 0.501 441 M N 0.094 119.407 119.600 -0.478 0.000 2.065 441 M HA -0.268 4.212 4.480 0.000 0.000 0.259 441 M C 2.378 178.572 176.300 -0.175 0.000 1.069 441 M CA 2.161 57.241 55.300 -0.366 0.000 1.110 441 M CB -0.246 32.167 32.600 -0.312 0.000 1.328 441 M HN 0.478 nan 8.290 nan 0.000 0.405 442 Q N -0.055 119.651 119.800 -0.156 0.000 2.077 442 Q HA -0.206 4.134 4.340 0.000 0.000 0.206 442 Q C 1.721 177.688 176.000 -0.055 0.000 0.989 442 Q CA 1.593 57.345 55.803 -0.085 0.000 0.853 442 Q CB -0.380 28.318 28.738 -0.067 0.000 0.907 442 Q HN 0.533 nan 8.270 nan 0.000 0.418 443 N N 0.542 119.180 118.700 -0.103 0.000 2.120 443 N HA -0.169 4.572 4.740 0.000 0.000 0.188 443 N C 1.639 177.074 175.510 -0.124 0.000 1.024 443 N CA 1.155 54.152 53.050 -0.088 0.000 0.852 443 N CB -0.214 38.227 38.487 -0.077 0.000 1.003 443 N HN 0.200 nan 8.380 nan 0.000 0.424 444 E N -0.090 119.962 120.200 -0.246 0.000 2.110 444 E HA -0.094 4.256 4.350 0.000 0.000 0.193 444 E C 1.465 177.987 176.600 -0.131 0.000 0.988 444 E CA 1.013 57.246 56.400 -0.279 0.000 0.804 444 E CB -0.160 29.251 29.700 -0.482 0.000 0.745 444 E HN 0.392 nan 8.360 nan 0.000 0.458 445 Y N -0.054 120.144 120.300 -0.171 0.000 2.243 445 Y HA 0.068 4.618 4.550 0.000 0.000 0.293 445 Y C 2.415 178.269 175.900 -0.076 0.000 1.124 445 Y CA 1.273 59.313 58.100 -0.100 0.000 1.159 445 Y CB -0.207 38.209 38.460 -0.073 0.000 1.008 445 Y HN -0.033 nan 8.280 nan 0.000 0.527 446 R N 0.261 120.806 120.500 0.076 0.000 2.105 446 R HA -0.176 4.164 4.340 0.000 0.000 0.239 446 R C 2.063 178.357 176.300 -0.009 0.000 1.135 446 R CA 1.187 57.303 56.100 0.027 0.000 0.967 446 R CB -0.285 30.023 30.300 0.014 0.000 0.861 446 R HN 0.336 nan 8.270 nan 0.000 0.442 447 A N 1.736 124.534 122.820 -0.037 0.000 1.824 447 A HA -0.139 4.181 4.320 0.000 0.000 0.215 447 A C 1.815 179.358 177.584 -0.070 0.000 1.244 447 A CA 1.402 53.410 52.037 -0.049 0.000 0.604 447 A CB -0.339 18.624 19.000 -0.061 0.000 0.900 447 A HN 0.512 nan 8.150 nan 0.000 0.455 448 R N -1.015 119.413 120.500 -0.121 0.000 2.507 448 R HA 0.405 4.745 4.340 0.000 0.000 0.298 448 R C 0.803 177.002 176.300 -0.169 0.000 0.999 448 R CA 0.588 56.612 56.100 -0.128 0.000 1.082 448 R CB -0.386 29.833 30.300 -0.136 0.000 1.246 448 R HN 1.024 nan 8.270 nan 0.000 0.553 449 G N -0.266 108.416 108.800 -0.198 0.000 2.198 449 G HA2 -0.192 3.768 3.960 0.000 0.000 0.260 449 G HA3 -0.192 3.768 3.960 0.000 0.000 0.260 449 G C 0.190 174.759 174.900 -0.552 0.000 1.025 449 G CA 0.131 45.074 45.100 -0.261 0.000 0.769 449 G HN 0.911 nan 8.290 nan 0.000 0.507 450 G N -2.627 105.684 108.800 -0.816 0.000 2.430 450 G HA2 0.614 4.574 3.960 0.000 0.000 0.300 450 G HA3 0.614 4.574 3.960 0.000 0.000 0.300 450 G C -0.955 173.559 174.900 -0.643 0.000 1.330 450 G CA 0.302 44.802 45.100 -1.000 0.000 0.813 450 G HN 1.855 nan 8.290 nan 0.000 0.487 451 C N 1.750 120.909 119.300 -0.236 0.000 3.098 451 C HA 0.484 4.944 4.460 0.000 0.000 0.391 451 C C -2.702 172.255 174.990 -0.054 0.000 1.088 451 C CA -0.951 58.023 59.018 -0.073 0.000 1.294 451 C CB 0.583 28.364 27.740 0.068 0.000 1.677 451 C HN 0.692 nan 8.230 nan 0.000 0.510 452 P HA 0.404 nan 4.420 nan 0.000 0.267 452 P C -0.541 176.666 177.300 -0.155 0.000 1.209 452 P CA 0.656 63.371 63.100 -0.642 0.000 0.763 452 P CB 1.080 32.304 31.700 -0.792 0.000 0.816 453 A N 2.664 125.461 122.820 -0.040 0.000 2.427 453 A HA 0.372 4.692 4.320 0.000 0.000 0.298 453 A C -0.884 176.757 177.584 0.095 0.000 1.036 453 A CA -0.563 51.537 52.037 0.105 0.000 0.701 453 A CB 1.201 20.368 19.000 0.279 0.000 1.250 453 A HN 0.447 nan 8.150 nan 0.000 0.412 454 D N 2.324 122.763 120.400 0.065 0.000 2.479 454 D HA 0.110 4.750 4.640 0.000 0.000 0.218 454 D C 0.910 177.327 176.300 0.195 0.000 1.131 454 D CA -0.494 53.578 54.000 0.120 0.000 0.916 454 D CB 0.187 41.013 40.800 0.043 0.000 1.022 454 D HN 0.625 nan 8.370 nan 0.000 0.515 455 W N 4.490 125.814 121.300 0.041 0.000 2.290 455 W HA -0.290 4.370 4.660 0.000 0.000 0.323 455 W C 1.804 178.344 176.519 0.036 0.000 1.260 455 W CA 1.442 58.797 57.345 0.016 0.000 1.266 455 W CB -0.136 29.317 29.460 -0.012 0.000 1.149 455 W HN 0.449 nan 8.180 nan 0.000 0.482 456 I N -1.061 119.815 120.570 0.511 0.000 2.236 456 I HA -0.343 3.827 4.170 0.000 0.000 0.249 456 I C 1.894 178.103 176.117 0.153 0.000 1.102 456 I CA 1.780 63.313 61.300 0.388 0.000 1.365 456 I CB -0.733 37.501 38.000 0.390 0.000 1.051 456 I HN 0.151 nan 8.210 nan 0.000 0.420 457 W N 0.258 121.519 121.300 -0.065 0.000 2.588 457 W HA 0.109 4.769 4.660 0.000 0.000 0.277 457 W C 2.280 178.659 176.519 -0.234 0.000 1.221 457 W CA 0.279 57.546 57.345 -0.130 0.000 1.355 457 W CB -0.460 28.942 29.460 -0.097 0.000 1.083 457 W HN -0.059 nan 8.180 nan 0.000 0.581 458 L N -0.006 121.159 121.223 -0.097 0.000 2.376 458 L HA -0.033 4.307 4.340 0.000 0.000 0.219 458 L C 0.533 177.162 176.870 -0.402 0.000 1.133 458 L CA 0.315 54.958 54.840 -0.328 0.000 0.816 458 L CB -0.866 40.896 42.059 -0.494 0.000 0.933 458 L HN -0.370 nan 8.230 nan 0.000 0.449 459 V N 1.402 121.019 119.914 -0.494 0.000 2.408 459 V HA 0.174 4.294 4.120 0.000 0.000 0.267 459 V C -1.854 174.039 176.094 -0.336 0.000 1.047 459 V CA -1.508 60.480 62.300 -0.520 0.000 0.937 459 V CB 0.643 31.938 31.823 -0.880 0.000 0.999 459 V HN 0.012 nan 8.190 nan 0.000 0.472 460 P HA 0.005 nan 4.420 nan 0.000 0.264 460 P C -1.767 175.393 177.300 -0.233 0.000 1.179 460 P CA -0.691 62.273 63.100 -0.227 0.000 0.763 460 P CB 0.102 31.717 31.700 -0.141 0.000 0.806 461 P HA -0.049 nan 4.420 nan 0.000 0.236 461 P C -0.018 177.166 177.300 -0.194 0.000 1.172 461 P CA 1.111 64.074 63.100 -0.229 0.000 0.759 461 P CB 0.386 31.933 31.700 -0.255 0.000 0.843 462 V N -1.578 118.214 119.914 -0.203 0.000 3.077 462 V HA 0.262 4.382 4.120 0.000 0.000 0.299 462 V C -0.183 175.861 176.094 -0.083 0.000 1.276 462 V CA -0.386 61.824 62.300 -0.151 0.000 0.993 462 V CB 1.789 33.499 31.823 -0.189 0.000 1.076 462 V HN -0.015 nan 8.190 nan 0.000 0.434 463 S N 3.012 118.681 115.700 -0.052 0.000 3.641 463 S HA -0.191 4.279 4.470 0.000 0.000 0.346 463 S C 1.432 175.967 174.600 -0.108 0.000 1.074 463 S CA 1.263 59.441 58.200 -0.036 0.000 1.026 463 S CB -1.438 61.806 63.200 0.074 0.000 0.908 463 S HN 1.815 nan 8.310 nan 0.000 0.479 464 G N 2.351 111.056 108.800 -0.158 0.000 2.586 464 G HA2 -0.325 3.635 3.960 0.000 0.000 0.218 464 G HA3 -0.325 3.635 3.960 0.000 0.000 0.218 464 G C 1.488 176.116 174.900 -0.454 0.000 1.216 464 G CA 1.575 46.547 45.100 -0.212 0.000 0.786 464 G HN 1.272 nan 8.290 nan 0.000 0.583 465 S N 0.208 115.346 115.700 -0.935 0.000 2.507 465 S HA 0.051 4.521 4.470 0.000 0.000 0.235 465 S C 1.978 176.424 174.600 -0.257 0.000 0.988 465 S CA 0.675 58.201 58.200 -1.123 0.000 0.944 465 S CB -0.077 62.439 63.200 -1.141 0.000 0.762 465 S HN 0.190 nan 8.310 nan 0.000 0.526 466 I N 1.782 122.266 120.570 -0.144 0.000 3.428 466 I HA 0.126 4.296 4.170 0.000 0.000 0.286 466 I C 0.691 176.855 176.117 0.078 0.000 1.287 466 I CA 0.476 61.792 61.300 0.026 0.000 1.396 466 I CB -1.705 36.333 38.000 0.064 0.000 1.062 466 I HN 0.250 nan 8.210 nan 0.000 0.471 467 T N 2.278 116.831 114.554 -0.003 0.000 2.867 467 T HA 0.257 4.607 4.350 0.000 0.000 0.282 467 T C -1.533 173.225 174.700 0.096 0.000 1.000 467 T CA -1.064 61.049 62.100 0.020 0.000 1.042 467 T CB 2.486 71.308 68.868 -0.077 0.000 0.973 467 T HN -0.095 nan 8.240 nan 0.000 0.465 468 P HA -0.091 nan 4.420 nan 0.000 0.216 468 P C 1.779 179.194 177.300 0.192 0.000 1.153 468 P CA 0.614 63.847 63.100 0.222 0.000 0.848 468 P CB -0.137 31.661 31.700 0.164 0.000 0.787 469 V N -2.825 117.151 119.914 0.104 0.000 2.568 469 V HA -0.252 3.868 4.120 0.000 0.000 0.253 469 V C 2.026 178.117 176.094 -0.005 0.000 1.072 469 V CA 1.579 63.908 62.300 0.049 0.000 1.084 469 V CB -1.965 29.812 31.823 -0.077 0.000 0.676 469 V HN -0.035 nan 8.190 nan 0.000 0.469 470 F N 1.621 121.442 119.950 -0.214 0.000 2.186 470 F HA -0.060 4.467 4.527 0.000 0.000 0.299 470 F C 2.334 178.228 175.800 0.156 0.000 1.090 470 F CA 2.008 59.941 58.000 -0.112 0.000 1.307 470 F CB -0.229 38.574 39.000 -0.328 0.000 1.019 470 F HN 0.310 nan 8.300 nan 0.000 0.489 471 H N -0.675 118.685 119.070 0.485 0.000 2.526 471 H HA 0.149 4.705 4.556 0.000 0.000 0.274 471 H C 0.149 175.606 175.328 0.215 0.000 0.999 471 H CA 0.191 56.433 56.048 0.325 0.000 1.157 471 H CB -0.252 29.674 29.762 0.274 0.000 1.407 471 H HN 0.277 nan 8.280 nan 0.000 0.568 472 Q N 1.734 121.725 119.800 0.318 0.000 2.325 472 Q HA 0.190 4.530 4.340 0.000 0.000 0.262 472 Q C -0.639 175.511 176.000 0.250 0.000 0.968 472 Q CA -0.476 55.467 55.803 0.233 0.000 0.877 472 Q CB 1.053 29.913 28.738 0.203 0.000 1.253 472 Q HN 0.214 nan 8.270 nan 0.000 0.448 473 E N 3.993 124.272 120.200 0.132 0.000 2.373 473 E HA 0.404 4.754 4.350 0.000 0.000 0.267 473 E C -0.411 176.272 176.600 0.139 0.000 1.032 473 E CA 0.029 56.480 56.400 0.084 0.000 0.889 473 E CB 0.763 30.477 29.700 0.023 0.000 0.984 473 E HN 0.669 nan 8.360 nan 0.000 0.425 474 M N 0.493 120.193 119.600 0.167 0.000 2.465 474 M HA 0.418 4.898 4.480 0.000 0.000 0.284 474 M C -1.793 174.628 176.300 0.202 0.000 1.212 474 M CA -1.227 54.202 55.300 0.215 0.000 0.910 474 M CB 1.182 33.951 32.600 0.280 0.000 1.725 474 M HN 0.102 nan 8.290 nan 0.000 0.477 475 L N 2.533 123.909 121.223 0.256 0.000 2.309 475 L HA 0.565 4.905 4.340 0.000 0.000 0.282 475 L C -0.515 176.509 176.870 0.256 0.000 1.036 475 L CA -0.124 54.891 54.840 0.292 0.000 0.806 475 L CB 1.147 43.444 42.059 0.396 0.000 1.220 475 L HN 0.816 nan 8.230 nan 0.000 0.429 476 N N 3.064 121.892 118.700 0.213 0.000 2.446 476 N HA 0.533 5.273 4.740 0.000 0.000 0.265 476 N C -1.601 174.008 175.510 0.165 0.000 0.975 476 N CA -0.269 52.822 53.050 0.069 0.000 0.928 476 N CB 0.653 39.187 38.487 0.078 0.000 1.160 476 N HN 0.409 nan 8.380 nan 0.000 0.495 477 Y N 0.267 120.584 120.300 0.028 0.000 2.519 477 Y HA 0.502 5.052 4.550 0.000 0.000 0.336 477 Y C -1.036 174.822 175.900 -0.070 0.000 1.089 477 Y CA -1.398 56.688 58.100 -0.023 0.000 1.025 477 Y CB 0.293 38.738 38.460 -0.025 0.000 1.318 477 Y HN 0.014 nan 8.280 nan 0.000 0.452 478 V N 4.925 124.794 119.914 -0.075 0.000 2.508 478 V HA 0.264 4.384 4.120 0.000 0.000 0.281 478 V C 0.329 176.260 176.094 -0.271 0.000 1.041 478 V CA -0.069 61.941 62.300 -0.485 0.000 1.016 478 V CB 0.301 31.695 31.823 -0.715 0.000 0.984 478 V HN 0.798 nan 8.190 nan 0.000 0.478 479 L N 3.144 124.227 121.223 -0.233 0.000 2.558 479 L HA 0.759 5.099 4.340 0.000 0.000 0.260 479 L C 0.143 176.989 176.870 -0.041 0.000 1.130 479 L CA -0.553 54.267 54.840 -0.033 0.000 1.049 479 L CB 1.778 43.879 42.059 0.071 0.000 1.758 479 L HN 0.612 nan 8.230 nan 0.000 0.555 480 S N -0.053 115.673 115.700 0.043 0.000 2.543 480 S HA 0.514 4.984 4.470 0.000 0.000 0.271 480 S C -2.761 171.900 174.600 0.102 0.000 1.148 480 S CA -1.079 57.162 58.200 0.067 0.000 0.914 480 S CB 1.949 65.165 63.200 0.027 0.000 1.096 480 S HN 0.243 nan 8.310 nan 0.000 0.471 481 P HA 0.385 nan 4.420 nan 0.000 0.271 481 P C -1.021 176.287 177.300 0.013 0.000 1.244 481 P CA -0.161 62.932 63.100 -0.013 0.000 0.793 481 P CB 0.287 31.915 31.700 -0.120 0.000 0.984 482 F N -0.491 119.289 119.950 -0.283 0.000 2.688 482 F HA 0.345 4.872 4.527 0.000 0.000 0.308 482 F C -1.483 174.050 175.800 -0.445 0.000 1.117 482 F CA -0.823 56.938 58.000 -0.400 0.000 0.976 482 F CB 1.189 39.969 39.000 -0.368 0.000 1.291 482 F HN 0.103 nan 8.300 nan 0.000 0.439 483 Y N 4.758 124.672 120.300 -0.643 0.000 2.518 483 Y HA 0.384 4.934 4.550 0.000 0.000 0.344 483 Y C -0.812 174.870 175.900 -0.364 0.000 0.982 483 Y CA -0.620 57.243 58.100 -0.395 0.000 1.234 483 Y CB -0.041 38.115 38.460 -0.507 0.000 1.114 483 Y HN 0.343 nan 8.280 nan 0.000 0.515 484 Y N 1.232 121.634 120.300 0.170 0.000 2.354 484 Y HA 0.306 4.856 4.550 0.000 0.000 0.322 484 Y C 0.123 176.090 175.900 0.112 0.000 1.253 484 Y CA -0.919 57.318 58.100 0.228 0.000 1.272 484 Y CB 0.688 39.296 38.460 0.245 0.000 1.255 484 Y HN 0.455 nan 8.280 nan 0.000 0.500 485 Y N 0.912 121.365 120.300 0.256 0.000 2.240 485 Y HA 0.315 4.866 4.550 0.000 0.000 0.341 485 Y C -0.041 175.936 175.900 0.129 0.000 1.326 485 Y CA -0.303 57.876 58.100 0.132 0.000 1.569 485 Y CB 0.706 39.212 38.460 0.076 0.000 1.426 485 Y HN 0.454 nan 8.280 nan 0.000 0.587 486 Q N -0.474 119.472 119.800 0.245 0.000 2.472 486 Q HA 0.444 4.784 4.340 0.000 0.000 0.281 486 Q C -1.693 174.306 176.000 -0.002 0.000 0.997 486 Q CA -0.898 54.967 55.803 0.102 0.000 0.828 486 Q CB 1.514 30.296 28.738 0.073 0.000 1.443 486 Q HN 0.562 nan 8.270 nan 0.000 0.390 487 I N 1.876 122.408 120.570 -0.064 0.000 2.752 487 I HA -0.082 4.088 4.170 0.000 0.000 0.289 487 I C 0.271 176.192 176.117 -0.327 0.000 1.197 487 I CA 0.401 61.602 61.300 -0.165 0.000 1.432 487 I CB 0.248 38.157 38.000 -0.152 0.000 1.359 487 I HN 0.601 nan 8.210 nan 0.000 0.571 488 E N 9.181 129.076 120.200 -0.508 0.000 2.606 488 E HA -0.070 4.280 4.350 0.000 0.000 0.248 488 E C -1.288 174.643 176.600 -1.115 0.000 1.005 488 E CA -0.891 54.894 56.400 -1.025 0.000 0.946 488 E CB 0.213 29.004 29.700 -1.515 0.000 0.928 488 E HN 0.443 nan 8.360 nan 0.000 0.494 489 P HA -0.225 nan 4.420 nan 0.000 0.216 489 P C 0.917 177.666 177.300 -0.918 0.000 1.154 489 P CA 1.622 64.175 63.100 -0.912 0.000 0.865 489 P CB -0.188 30.758 31.700 -1.257 0.000 0.789 490 W N 1.040 121.746 121.300 -0.991 0.000 2.538 490 W HA 0.059 4.719 4.660 0.000 0.000 0.254 490 W C 1.712 178.079 176.519 -0.253 0.000 1.249 490 W CA 0.535 57.524 57.345 -0.595 0.000 1.253 490 W CB -1.353 27.914 29.460 -0.322 0.000 1.130 490 W HN -0.070 nan 8.180 nan 0.000 0.618 491 K N -0.064 120.069 120.400 -0.445 0.000 2.166 491 K HA -0.011 4.309 4.320 0.000 0.000 0.201 491 K C 0.849 177.362 176.600 -0.145 0.000 1.052 491 K CA 1.321 57.462 56.287 -0.245 0.000 0.969 491 K CB -0.168 32.134 32.500 -0.330 0.000 0.761 491 K HN -0.006 nan 8.250 nan 0.000 0.459 492 T N 0.994 115.452 114.554 -0.161 0.000 3.332 492 T HA 0.171 4.521 4.350 0.000 0.000 0.385 492 T C -1.829 172.918 174.700 0.078 0.000 1.695 492 T CA -0.519 61.547 62.100 -0.057 0.000 1.397 492 T CB -0.257 68.563 68.868 -0.080 0.000 1.100 492 T HN 0.185 nan 8.240 nan 0.000 0.669 493 H N 2.568 121.634 119.070 -0.006 0.000 3.026 493 H HA 0.425 4.981 4.556 0.000 0.000 0.352 493 H C -0.952 174.466 175.328 0.151 0.000 1.090 493 H CA -0.677 55.445 56.048 0.123 0.000 1.268 493 H CB 1.008 30.942 29.762 0.286 0.000 1.816 493 H HN 0.466 nan 8.280 nan 0.000 0.518 494 I N 4.899 125.259 120.570 -0.349 0.000 2.308 494 I HA 0.030 4.200 4.170 0.000 0.000 0.293 494 I C -0.135 175.940 176.117 -0.070 0.000 1.078 494 I CA -0.197 61.002 61.300 -0.168 0.000 1.292 494 I CB 0.055 37.977 38.000 -0.131 0.000 1.423 494 I HN 0.372 nan 8.210 nan 0.000 0.493 495 W N 5.648 126.894 121.300 -0.091 0.000 1.966 495 W HA 0.161 4.821 4.660 0.000 0.000 0.367 495 W C 0.872 177.386 176.519 -0.007 0.000 1.451 495 W CA -0.488 56.866 57.345 0.015 0.000 1.538 495 W CB 0.318 29.837 29.460 0.097 0.000 1.251 495 W HN 0.435 nan 8.180 nan 0.000 0.671 496 Q N 0.000 119.864 119.800 0.107 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.820 55.803 0.028 0.000 1.022 496 Q CB 0.000 28.701 28.738 -0.061 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481