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 3e6t_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATXXXXXXX XXCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIW 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 0.000 176.140 176.000 0.233 0.000 1.003 77 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 77 Q CB 0.000 28.585 28.738 -0.254 0.000 1.108 78 Y N -2.265 118.237 120.300 0.337 0.000 2.953 78 Y HA 0.780 5.330 4.550 0.000 0.000 0.321 78 Y C -1.472 174.614 175.900 0.310 0.000 1.514 78 Y CA -1.204 57.139 58.100 0.405 0.000 1.091 78 Y CB 0.493 39.131 38.460 0.297 0.000 1.700 78 Y HN 0.072 nan 8.280 nan 0.000 0.436 79 V N 1.678 122.032 119.914 0.733 0.000 2.638 79 V HA 0.550 4.670 4.120 0.000 0.000 0.306 79 V C -0.559 175.696 176.094 0.269 0.000 1.052 79 V CA -0.905 61.618 62.300 0.372 0.000 0.885 79 V CB 1.714 33.564 31.823 0.045 0.000 0.999 79 V HN 0.757 nan 8.190 nan 0.000 0.424 80 R N 3.930 124.549 120.500 0.197 0.000 2.265 80 R HA 0.658 4.998 4.340 0.000 0.000 0.314 80 R C -1.095 175.180 176.300 -0.042 0.000 1.053 80 R CA -0.152 55.929 56.100 -0.032 0.000 0.931 80 R CB 0.610 30.929 30.300 0.032 0.000 1.024 80 R HN 0.700 nan 8.270 nan 0.000 0.457 81 I N 3.979 124.480 120.570 -0.115 0.000 2.498 81 I HA 0.314 4.484 4.170 0.000 0.000 0.290 81 I C -0.442 175.622 176.117 -0.088 0.000 1.032 81 I CA -0.770 60.503 61.300 -0.046 0.000 1.073 81 I CB 2.058 40.048 38.000 -0.017 0.000 1.251 81 I HN 0.528 nan 8.210 nan 0.000 0.426 82 K N 5.025 125.394 120.400 -0.052 0.000 2.208 82 K HA 0.375 4.695 4.320 0.000 0.000 0.247 82 K C -0.772 175.751 176.600 -0.129 0.000 0.953 82 K CA -0.703 55.472 56.287 -0.186 0.000 0.837 82 K CB 1.504 33.760 32.500 -0.406 0.000 1.131 82 K HN 0.483 nan 8.250 nan 0.000 0.431 83 N N 3.912 122.495 118.700 -0.195 0.000 2.626 83 N HA 0.097 4.837 4.740 0.000 0.000 0.242 83 N C -0.330 175.114 175.510 -0.110 0.000 1.005 83 N CA -0.388 52.634 53.050 -0.046 0.000 0.905 83 N CB 0.354 38.832 38.487 -0.014 0.000 1.128 83 N HN 0.626 nan 8.380 nan 0.000 0.512 84 W N 2.333 123.647 121.300 0.022 0.000 2.560 84 W HA 0.100 4.760 4.660 0.000 0.000 0.252 84 W C 1.984 178.519 176.519 0.027 0.000 1.242 84 W CA 0.445 57.806 57.345 0.026 0.000 1.242 84 W CB -0.108 29.367 29.460 0.025 0.000 1.136 84 W HN 0.596 nan 8.180 nan 0.000 0.625 85 G N -0.375 108.525 108.800 0.166 0.000 2.408 85 G HA2 -0.158 3.803 3.960 0.000 0.000 0.213 85 G HA3 -0.158 3.803 3.960 0.000 0.000 0.213 85 G C 1.520 176.460 174.900 0.067 0.000 1.177 85 G CA 1.130 46.300 45.100 0.116 0.000 0.802 85 G HN 0.284 nan 8.290 nan 0.000 0.533 86 S N -1.019 114.699 115.700 0.030 0.000 2.524 86 S HA 0.381 4.851 4.470 0.000 0.000 0.215 86 S C 1.912 176.492 174.600 -0.032 0.000 0.986 86 S CA 1.034 59.238 58.200 0.007 0.000 0.911 86 S CB 0.358 63.561 63.200 0.006 0.000 0.805 86 S HN 1.493 nan 8.310 nan 0.000 0.501 87 G N 1.468 110.218 108.800 -0.085 0.000 2.189 87 G HA2 -0.358 3.602 3.960 0.000 0.000 0.267 87 G HA3 -0.358 3.602 3.960 0.000 0.000 0.267 87 G C -0.063 174.742 174.900 -0.158 0.000 0.975 87 G CA 0.566 45.568 45.100 -0.163 0.000 0.644 87 G HN 0.745 nan 8.290 nan 0.000 0.537 88 E N -0.012 120.125 120.200 -0.105 0.000 2.422 88 E HA 0.460 4.810 4.350 0.000 0.000 0.260 88 E C 0.283 176.809 176.600 -0.122 0.000 1.108 88 E CA -0.119 56.231 56.400 -0.084 0.000 0.943 88 E CB 0.219 29.892 29.700 -0.045 0.000 0.961 88 E HN 0.425 nan 8.360 nan 0.000 0.443 89 I N 3.360 123.865 120.570 -0.109 0.000 2.785 89 I HA 0.382 4.552 4.170 0.000 0.000 0.302 89 I C -0.645 175.376 176.117 -0.160 0.000 1.069 89 I CA -0.836 60.365 61.300 -0.165 0.000 1.045 89 I CB 1.577 39.459 38.000 -0.198 0.000 1.236 89 I HN 0.408 nan 8.210 nan 0.000 0.429 90 L N 3.716 124.794 121.223 -0.240 0.000 2.393 90 L HA 0.499 4.839 4.340 0.000 0.000 0.260 90 L C -1.475 175.163 176.870 -0.387 0.000 1.002 90 L CA -0.868 53.867 54.840 -0.176 0.000 0.818 90 L CB 2.322 44.342 42.059 -0.066 0.000 1.369 90 L HN 0.526 nan 8.230 nan 0.000 0.412 91 H N 0.198 119.149 119.070 -0.199 0.000 2.638 91 H HA 0.239 4.795 4.556 0.000 0.000 0.317 91 H C -0.936 174.324 175.328 -0.112 0.000 1.006 91 H CA -0.612 55.224 56.048 -0.353 0.000 1.222 91 H CB 1.326 30.609 29.762 -0.799 0.000 1.419 91 H HN 0.340 nan 8.280 nan 0.000 0.489 92 D N 2.357 122.828 120.400 0.120 0.000 2.295 92 D HA 0.071 4.711 4.640 0.000 0.000 0.248 92 D C 0.197 176.703 176.300 0.344 0.000 1.154 92 D CA 0.094 54.229 54.000 0.224 0.000 0.857 92 D CB 1.244 42.190 40.800 0.243 0.000 1.117 92 D HN 0.598 nan 8.370 nan 0.000 0.468 93 T N 3.617 118.292 114.554 0.200 0.000 3.056 93 T HA -0.062 4.289 4.350 0.000 0.000 0.241 93 T C 1.802 176.511 174.700 0.016 0.000 1.006 93 T CA -0.264 61.928 62.100 0.154 0.000 1.115 93 T CB 0.059 69.009 68.868 0.137 0.000 0.939 93 T HN 0.248 nan 8.240 nan 0.000 0.462 94 L N 2.861 124.111 121.223 0.045 0.000 2.137 94 L HA -0.225 4.115 4.340 0.000 0.000 0.213 94 L C 2.285 179.155 176.870 0.000 0.000 1.085 94 L CA 2.203 57.063 54.840 0.033 0.000 0.760 94 L CB -0.839 41.255 42.059 0.058 0.000 0.893 94 L HN 0.593 nan 8.230 nan 0.000 0.434 95 H N -3.371 115.724 119.070 0.040 0.000 2.539 95 H HA -0.173 4.383 4.556 0.000 0.000 0.292 95 H C 1.797 177.081 175.328 -0.073 0.000 1.069 95 H CA 1.986 58.013 56.048 -0.034 0.000 1.244 95 H CB -0.964 28.748 29.762 -0.083 0.000 1.365 95 H HN 0.574 nan 8.280 nan 0.000 0.575 96 H N 0.508 119.367 119.070 -0.350 0.000 2.462 96 H HA 0.073 4.629 4.556 0.000 0.000 0.292 96 H C 1.413 176.722 175.328 -0.032 0.000 1.049 96 H CA 1.046 57.000 56.048 -0.156 0.000 1.334 96 H CB 0.329 29.968 29.762 -0.204 0.000 1.404 96 H HN 0.233 nan 8.280 nan 0.000 0.544 97 K N 0.947 121.393 120.400 0.077 0.000 2.525 97 K HA 0.172 4.493 4.320 0.000 0.000 0.192 97 K C 0.726 177.359 176.600 0.055 0.000 1.029 97 K CA 0.247 56.569 56.287 0.060 0.000 1.029 97 K CB -0.080 32.447 32.500 0.043 0.000 0.814 97 K HN 0.202 nan 8.250 nan 0.000 0.503 98 A N 1.701 124.560 122.820 0.065 0.000 2.547 98 A HA 0.031 4.351 4.320 0.000 0.000 0.233 98 A C 0.634 178.247 177.584 0.048 0.000 1.067 98 A CA 0.249 52.322 52.037 0.060 0.000 0.763 98 A CB -0.043 19.001 19.000 0.074 0.000 1.007 98 A HN 0.253 nan 8.150 nan 0.000 0.506 110 L N 5.397 126.624 121.223 0.007 0.000 3.094 110 L HA 0.357 4.697 4.340 0.000 0.000 0.254 110 L C 1.785 178.685 176.870 0.050 0.000 1.298 110 L CA 0.614 55.467 54.840 0.023 0.000 1.050 110 L CB 0.230 42.301 42.059 0.020 0.000 1.420 110 L HN 0.967 nan 8.230 nan 0.000 0.548 111 G N -0.573 108.257 108.800 0.050 0.000 2.408 111 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 111 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 111 G C 1.531 176.496 174.900 0.109 0.000 1.150 111 G CA 0.885 46.028 45.100 0.071 0.000 0.776 111 G HN 0.377 nan 8.290 nan 0.000 0.542 112 S N -0.053 115.710 115.700 0.105 0.000 2.603 112 S HA 0.203 4.673 4.470 0.000 0.000 0.220 112 S C 0.867 175.563 174.600 0.160 0.000 0.967 112 S CA -0.520 57.761 58.200 0.134 0.000 0.920 112 S CB -0.350 62.916 63.200 0.111 0.000 0.773 112 S HN 0.059 nan 8.310 nan 0.000 0.529 113 I N 2.511 123.171 120.570 0.151 0.000 2.529 113 I HA 0.119 4.289 4.170 0.000 0.000 0.284 113 I C 1.556 177.790 176.117 0.194 0.000 1.082 113 I CA 0.073 61.479 61.300 0.177 0.000 1.406 113 I CB 0.612 38.697 38.000 0.142 0.000 1.405 113 I HN 0.274 nan 8.210 nan 0.000 0.548 114 M N 4.216 123.942 119.600 0.210 0.000 2.073 114 M HA -0.079 4.401 4.480 0.000 0.000 0.259 114 M C 0.442 176.802 176.300 0.099 0.000 1.079 114 M CA 1.619 56.989 55.300 0.117 0.000 1.131 114 M CB -0.346 32.170 32.600 -0.139 0.000 1.316 114 M HN 0.494 nan 8.290 nan 0.000 0.415 115 N N 1.332 120.095 118.700 0.106 0.000 3.114 115 N HA 0.293 5.033 4.740 0.000 0.000 0.289 115 N C -2.386 173.220 175.510 0.161 0.000 1.519 115 N CA -0.814 52.278 53.050 0.069 0.000 1.026 115 N CB 0.339 38.796 38.487 -0.051 0.000 1.306 115 N HN 0.283 nan 8.380 nan 0.000 0.495 116 P HA 0.126 nan 4.420 nan 0.000 0.272 116 P C 0.609 177.999 177.300 0.149 0.000 1.240 116 P CA -0.249 62.937 63.100 0.144 0.000 0.791 116 P CB 1.902 33.674 31.700 0.121 0.000 0.978 117 K N 0.396 120.861 120.400 0.108 0.000 2.148 117 K HA -0.085 4.235 4.320 0.000 0.000 0.204 117 K C 2.173 178.834 176.600 0.103 0.000 1.050 117 K CA 1.750 58.094 56.287 0.096 0.000 0.942 117 K CB -0.367 32.170 32.500 0.061 0.000 0.724 117 K HN 0.546 nan 8.250 nan 0.000 0.446 118 S N 0.773 116.528 115.700 0.092 0.000 2.419 118 S HA -0.112 4.358 4.470 0.000 0.000 0.235 118 S C 1.486 176.174 174.600 0.145 0.000 1.019 118 S CA 0.915 59.165 58.200 0.082 0.000 0.982 118 S CB -0.084 63.144 63.200 0.047 0.000 0.789 118 S HN 0.078 nan 8.310 nan 0.000 0.490 119 L N 1.628 122.965 121.223 0.190 0.000 2.700 119 L HA 0.432 4.772 4.340 0.000 0.000 0.234 119 L C 0.114 177.238 176.870 0.423 0.000 1.156 119 L CA 0.408 55.402 54.840 0.257 0.000 0.946 119 L CB -0.322 41.831 42.059 0.156 0.000 1.216 119 L HN 0.251 nan 8.230 nan 0.000 0.493 120 T N -0.618 114.139 114.554 0.338 0.000 2.856 120 T HA 0.553 4.903 4.350 0.000 0.000 0.283 120 T C -0.333 174.404 174.700 0.062 0.000 1.008 120 T CA -0.551 61.706 62.100 0.262 0.000 0.997 120 T CB 2.467 71.443 68.868 0.180 0.000 0.992 120 T HN -0.149 nan 8.240 nan 0.000 0.454 121 R N 1.602 122.096 120.500 -0.010 0.000 2.407 121 R HA 0.570 4.910 4.340 0.000 0.000 0.298 121 R C 0.407 176.669 176.300 -0.064 0.000 1.166 121 R CA -0.453 55.538 56.100 -0.182 0.000 1.006 121 R CB 0.152 30.212 30.300 -0.400 0.000 1.145 121 R HN 0.850 nan 8.270 nan 0.000 0.538 122 G N 3.117 111.886 108.800 -0.052 0.000 2.570 122 G HA2 0.296 4.256 3.960 0.000 0.000 0.276 122 G HA3 0.296 4.256 3.960 0.000 0.000 0.276 122 G C -1.889 172.988 174.900 -0.039 0.000 1.346 122 G CA -0.913 44.165 45.100 -0.037 0.000 1.034 122 G HN 0.468 nan 8.290 nan 0.000 0.512 123 P HA 0.332 nan 4.420 nan 0.000 0.285 123 P C -0.163 177.125 177.300 -0.020 0.000 1.282 123 P CA -0.115 62.968 63.100 -0.028 0.000 0.778 123 P CB 0.429 32.111 31.700 -0.031 0.000 1.222 124 R N -0.913 119.581 120.500 -0.011 0.000 2.716 124 R HA 0.264 4.604 4.340 0.000 0.000 0.271 124 R C -0.360 175.942 176.300 0.003 0.000 1.028 124 R CA -0.558 55.539 56.100 -0.005 0.000 0.883 124 R CB 1.446 31.744 30.300 -0.002 0.000 1.250 124 R HN 0.343 nan 8.270 nan 0.000 0.465 125 D N 0.282 120.686 120.400 0.006 0.000 2.469 125 D HA 0.085 4.725 4.640 0.000 0.000 0.240 125 D C -0.501 175.812 176.300 0.021 0.000 1.087 125 D CA 0.908 54.915 54.000 0.011 0.000 0.876 125 D CB 0.979 41.782 40.800 0.006 0.000 1.160 125 D HN 0.382 nan 8.370 nan 0.000 0.497 126 K N 0.263 120.674 120.400 0.018 0.000 2.509 126 K HA 0.624 4.944 4.320 0.000 0.000 0.266 126 K C -3.062 173.548 176.600 0.017 0.000 0.987 126 K CA -1.805 54.494 56.287 0.021 0.000 0.868 126 K CB 1.453 33.962 32.500 0.015 0.000 1.421 126 K HN -0.364 nan 8.250 nan 0.000 0.444 127 P HA -0.079 nan 4.420 nan 0.000 0.267 127 P C -0.473 176.834 177.300 0.012 0.000 1.200 127 P CA 0.035 63.144 63.100 0.014 0.000 0.772 127 P CB 0.411 32.121 31.700 0.016 0.000 0.855 128 T N 3.136 117.697 114.554 0.012 0.000 2.829 128 T HA 0.143 4.493 4.350 0.000 0.000 0.293 128 T C -1.945 172.764 174.700 0.016 0.000 0.970 128 T CA -1.456 60.653 62.100 0.015 0.000 1.168 128 T CB -0.578 68.305 68.868 0.025 0.000 0.911 128 T HN 0.232 nan 8.240 nan 0.000 0.535 129 P HA -0.058 nan 4.420 nan 0.000 0.264 129 P C 1.316 178.611 177.300 -0.008 0.000 1.183 129 P CA -0.613 62.486 63.100 -0.002 0.000 0.763 129 P CB 0.547 32.242 31.700 -0.009 0.000 0.807 130 L N 3.679 124.897 121.223 -0.008 0.000 2.051 130 L HA -0.221 4.119 4.340 0.000 0.000 0.214 130 L C 2.433 179.280 176.870 -0.038 0.000 1.076 130 L CA 2.357 57.187 54.840 -0.016 0.000 0.758 130 L CB -1.172 40.878 42.059 -0.015 0.000 0.890 130 L HN 0.528 nan 8.230 nan 0.000 0.433 131 E N 0.747 120.922 120.200 -0.042 0.000 2.086 131 E HA -0.299 4.051 4.350 0.000 0.000 0.200 131 E C 1.644 178.182 176.600 -0.104 0.000 1.012 131 E CA 2.059 58.422 56.400 -0.061 0.000 0.812 131 E CB -0.645 29.025 29.700 -0.049 0.000 0.743 131 E HN 0.847 nan 8.360 nan 0.000 0.453 132 E N 0.748 120.878 120.200 -0.115 0.000 2.250 132 E HA -0.017 4.333 4.350 0.000 0.000 0.192 132 E C 2.438 178.870 176.600 -0.281 0.000 0.986 132 E CA 0.098 56.359 56.400 -0.231 0.000 0.849 132 E CB -0.255 29.357 29.700 -0.146 0.000 0.797 132 E HN 0.151 nan 8.360 nan 0.000 0.482 133 L N 1.350 122.525 121.223 -0.081 0.000 2.005 133 L HA -0.106 4.234 4.340 0.000 0.000 0.207 133 L C 2.254 179.124 176.870 -0.001 0.000 1.072 133 L CA 1.388 56.242 54.840 0.025 0.000 0.744 133 L CB -0.782 41.311 42.059 0.057 0.000 0.895 133 L HN 0.324 nan 8.230 nan 0.000 0.433 134 L N 0.903 122.092 121.223 -0.055 0.000 1.990 134 L HA -0.150 4.190 4.340 0.000 0.000 0.213 134 L C -0.115 176.723 176.870 -0.054 0.000 1.072 134 L CA 2.330 57.126 54.840 -0.074 0.000 0.755 134 L CB -2.482 39.535 42.059 -0.071 0.000 0.889 134 L HN 0.177 nan 8.230 nan 0.000 0.432 135 P HA -0.107 nan 4.420 nan 0.000 0.220 135 P C 1.296 178.634 177.300 0.064 0.000 1.148 135 P CA 1.204 64.276 63.100 -0.046 0.000 0.803 135 P CB -0.064 31.569 31.700 -0.112 0.000 0.782 136 H N -0.400 118.700 119.070 0.049 0.000 2.333 136 H HA 0.090 4.646 4.556 0.000 0.000 0.302 136 H C 2.033 177.449 175.328 0.145 0.000 1.075 136 H CA 1.359 57.462 56.048 0.092 0.000 1.348 136 H CB -1.094 28.721 29.762 0.087 0.000 1.393 136 H HN 0.008 nan 8.280 nan 0.000 0.509 137 A N 1.223 124.183 122.820 0.233 0.000 1.892 137 A HA -0.158 4.162 4.320 0.000 0.000 0.218 137 A C 2.669 180.347 177.584 0.155 0.000 1.188 137 A CA 1.693 53.825 52.037 0.159 0.000 0.631 137 A CB -0.959 17.880 19.000 -0.269 0.000 0.822 137 A HN 0.331 nan 8.150 nan 0.000 0.447 138 I N -0.439 120.179 120.570 0.079 0.000 2.208 138 I HA -0.287 3.884 4.170 0.000 0.000 0.245 138 I C 2.586 178.784 176.117 0.135 0.000 1.097 138 I CA 1.898 63.246 61.300 0.080 0.000 1.363 138 I CB -0.404 37.620 38.000 0.040 0.000 1.051 138 I HN 0.560 nan 8.210 nan 0.000 0.413 139 E N 1.671 121.971 120.200 0.167 0.000 2.038 139 E HA -0.307 4.043 4.350 0.000 0.000 0.195 139 E C 2.111 178.842 176.600 0.218 0.000 1.000 139 E CA 1.800 58.308 56.400 0.179 0.000 0.803 139 E CB -0.666 29.156 29.700 0.204 0.000 0.750 139 E HN 0.388 nan 8.360 nan 0.000 0.448 140 F N 0.952 120.990 119.950 0.146 0.000 2.069 140 F HA -0.122 4.405 4.527 0.000 0.000 0.298 140 F C 2.075 177.970 175.800 0.159 0.000 1.113 140 F CA 1.844 59.945 58.000 0.167 0.000 1.214 140 F CB -0.682 38.437 39.000 0.198 0.000 0.978 140 F HN 0.112 nan 8.300 nan 0.000 0.474 141 I N 0.614 121.117 120.570 -0.112 0.000 2.151 141 I HA -0.400 3.770 4.170 0.000 0.000 0.243 141 I C 2.269 178.339 176.117 -0.078 0.000 1.080 141 I CA 1.635 62.855 61.300 -0.134 0.000 1.339 141 I CB -0.731 37.342 38.000 0.122 0.000 1.039 141 I HN 0.219 nan 8.210 nan 0.000 0.409 142 N N 0.395 119.108 118.700 0.022 0.000 2.149 142 N HA -0.255 4.485 4.740 0.000 0.000 0.188 142 N C 1.846 177.254 175.510 -0.170 0.000 1.019 142 N CA 1.327 54.375 53.050 -0.003 0.000 0.857 142 N CB -0.293 38.270 38.487 0.127 0.000 0.997 142 N HN 0.526 nan 8.380 nan 0.000 0.426 143 Q N -0.236 119.488 119.800 -0.126 0.000 2.046 143 Q HA -0.171 4.169 4.340 0.000 0.000 0.200 143 Q C 1.998 177.776 176.000 -0.370 0.000 0.975 143 Q CA 1.109 56.846 55.803 -0.109 0.000 0.836 143 Q CB -0.108 28.696 28.738 0.110 0.000 0.896 143 Q HN 0.456 nan 8.270 nan 0.000 0.428 144 Y N -0.271 119.539 120.300 -0.817 0.000 2.049 144 Y HA -0.324 4.226 4.550 0.000 0.000 0.277 144 Y C 1.735 176.860 175.900 -1.291 0.000 1.143 144 Y CA 2.049 59.310 58.100 -1.398 0.000 1.115 144 Y CB -0.556 37.077 38.460 -1.378 0.000 0.975 144 Y HN 0.148 nan 8.280 nan 0.000 0.487 145 Y N 0.451 120.115 120.300 -1.060 0.000 2.465 145 Y HA -0.099 4.451 4.550 0.000 0.000 0.289 145 Y C 2.489 177.658 175.900 -1.218 0.000 1.150 145 Y CA 1.306 58.645 58.100 -1.268 0.000 1.293 145 Y CB -0.776 37.121 38.460 -0.938 0.000 0.977 145 Y HN 0.327 nan 8.280 nan 0.000 0.556 146 G N -1.572 106.781 108.800 -0.745 0.000 2.623 146 G HA2 -0.143 3.817 3.960 0.000 0.000 0.214 146 G HA3 -0.143 3.817 3.960 0.000 0.000 0.214 146 G C 1.759 176.380 174.900 -0.465 0.000 1.138 146 G CA 0.767 45.589 45.100 -0.464 0.000 0.794 146 G HN 0.464 nan 8.290 nan 0.000 0.535 147 S N 1.047 116.347 115.700 -0.667 0.000 2.357 147 S HA 0.080 4.550 4.470 0.000 0.000 0.221 147 S C 1.010 175.444 174.600 -0.278 0.000 1.031 147 S CA 0.209 58.181 58.200 -0.379 0.000 0.982 147 S CB -0.588 62.479 63.200 -0.221 0.000 0.853 147 S HN 0.341 nan 8.310 nan 0.000 0.458 148 F N 2.326 122.135 119.950 -0.235 0.000 2.429 148 F HA 0.622 5.149 4.527 0.000 0.000 0.348 148 F C 0.390 176.129 175.800 -0.103 0.000 1.109 148 F CA -2.221 55.684 58.000 -0.158 0.000 1.232 148 F CB 0.258 39.129 39.000 -0.216 0.000 1.157 148 F HN 0.065 nan 8.300 nan 0.000 0.564 149 K N 1.666 122.182 120.400 0.194 0.000 2.336 149 K HA 0.013 4.333 4.320 0.000 0.000 0.262 149 K C -0.108 176.574 176.600 0.137 0.000 0.992 149 K CA 0.039 56.396 56.287 0.117 0.000 0.927 149 K CB 0.141 32.678 32.500 0.063 0.000 0.956 149 K HN 0.891 nan 8.250 nan 0.000 0.495 150 E N -0.581 119.674 120.200 0.091 0.000 2.393 150 E HA -0.234 4.117 4.350 0.000 0.000 0.169 150 E C -0.575 176.103 176.600 0.129 0.000 1.591 150 E CA 0.253 56.695 56.400 0.070 0.000 0.661 150 E CB -1.568 28.144 29.700 0.020 0.000 1.097 150 E HN 0.693 nan 8.360 nan 0.000 0.356 151 A N 2.465 125.393 122.820 0.179 0.000 2.536 151 A HA 0.057 4.377 4.320 0.000 0.000 0.234 151 A C 0.606 178.322 177.584 0.221 0.000 1.076 151 A CA 0.561 52.768 52.037 0.284 0.000 0.769 151 A CB 0.383 19.491 19.000 0.179 0.000 1.020 151 A HN 0.368 nan 8.150 nan 0.000 0.508 152 K N 2.141 122.736 120.400 0.325 0.000 2.724 152 K HA 0.306 4.626 4.320 0.000 0.000 0.198 152 K C 0.441 177.130 176.600 0.148 0.000 1.099 152 K CA -0.147 56.253 56.287 0.189 0.000 1.025 152 K CB 0.354 32.967 32.500 0.188 0.000 1.509 152 K HN 0.668 nan 8.250 nan 0.000 0.564 153 I N 0.466 121.099 120.570 0.105 0.000 2.145 153 I HA -0.391 3.779 4.170 0.000 0.000 0.244 153 I C 2.429 178.530 176.117 -0.026 0.000 1.075 153 I CA 1.613 62.944 61.300 0.053 0.000 1.332 153 I CB -0.194 37.820 38.000 0.024 0.000 1.033 153 I HN 0.583 nan 8.210 nan 0.000 0.410 154 E N 1.050 121.240 120.200 -0.018 0.000 2.085 154 E HA -0.258 4.092 4.350 0.000 0.000 0.194 154 E C 2.066 178.630 176.600 -0.061 0.000 0.994 154 E CA 1.544 57.922 56.400 -0.038 0.000 0.801 154 E CB 0.049 29.740 29.700 -0.015 0.000 0.743 154 E HN 0.550 nan 8.360 nan 0.000 0.453 155 E N -0.922 119.249 120.200 -0.049 0.000 2.107 155 E HA -0.178 4.172 4.350 0.000 0.000 0.191 155 E C 1.999 178.347 176.600 -0.421 0.000 0.982 155 E CA 0.764 57.120 56.400 -0.074 0.000 0.809 155 E CB -0.203 29.580 29.700 0.138 0.000 0.756 155 E HN 0.461 nan 8.360 nan 0.000 0.459 156 H N 1.034 119.623 119.070 -0.801 0.000 2.267 156 H HA -0.122 4.434 4.556 0.000 0.000 0.297 156 H C 2.238 177.265 175.328 -0.503 0.000 1.080 156 H CA 1.268 56.644 56.048 -1.122 0.000 1.278 156 H CB 0.056 29.474 29.762 -0.574 0.000 1.365 156 H HN 0.055 nan 8.280 nan 0.000 0.489 157 L N 0.333 121.391 121.223 -0.275 0.000 2.012 157 L HA -0.185 4.155 4.340 0.000 0.000 0.210 157 L C 3.110 179.899 176.870 -0.133 0.000 1.073 157 L CA 0.944 55.644 54.840 -0.233 0.000 0.748 157 L CB -0.660 41.287 42.059 -0.187 0.000 0.891 157 L HN 0.416 nan 8.230 nan 0.000 0.431 158 A N 0.219 122.976 122.820 -0.105 0.000 1.883 158 A HA -0.279 4.041 4.320 0.000 0.000 0.217 158 A C 2.374 179.945 177.584 -0.021 0.000 1.186 158 A CA 2.115 54.123 52.037 -0.049 0.000 0.624 158 A CB -0.533 18.453 19.000 -0.024 0.000 0.822 158 A HN 0.281 nan 8.150 nan 0.000 0.444 159 R N -0.087 120.401 120.500 -0.020 0.000 2.075 159 R HA 0.029 4.369 4.340 0.000 0.000 0.232 159 R C 1.969 178.300 176.300 0.052 0.000 1.126 159 R CA 1.467 57.610 56.100 0.070 0.000 0.963 159 R CB -0.940 29.486 30.300 0.210 0.000 0.858 159 R HN 0.538 nan 8.270 nan 0.000 0.435 160 L N 0.307 121.536 121.223 0.011 0.000 1.990 160 L HA -0.231 4.109 4.340 0.000 0.000 0.213 160 L C 2.549 179.405 176.870 -0.024 0.000 1.072 160 L CA 2.256 57.096 54.840 0.001 0.000 0.755 160 L CB -0.560 41.462 42.059 -0.061 0.000 0.889 160 L HN 0.439 nan 8.230 nan 0.000 0.432 161 E N -0.001 120.177 120.200 -0.037 0.000 2.072 161 E HA -0.220 4.130 4.350 0.000 0.000 0.191 161 E C 2.147 178.737 176.600 -0.016 0.000 0.985 161 E CA 1.121 57.501 56.400 -0.033 0.000 0.801 161 E CB -0.031 29.648 29.700 -0.036 0.000 0.750 161 E HN 0.432 nan 8.360 nan 0.000 0.452 162 A N 0.875 123.696 122.820 0.002 0.000 1.865 162 A HA -0.168 4.152 4.320 0.000 0.000 0.217 162 A C 2.482 180.080 177.584 0.022 0.000 1.191 162 A CA 1.792 53.842 52.037 0.021 0.000 0.623 162 A CB -0.991 18.035 19.000 0.044 0.000 0.826 162 A HN 0.237 nan 8.150 nan 0.000 0.444 163 V N -0.063 119.863 119.914 0.020 0.000 2.287 163 V HA -0.271 3.850 4.120 0.000 0.000 0.248 163 V C 2.761 178.796 176.094 -0.100 0.000 1.053 163 V CA 2.560 64.844 62.300 -0.028 0.000 1.027 163 V CB -1.438 30.338 31.823 -0.078 0.000 0.646 163 V HN 0.654 nan 8.190 nan 0.000 0.447 164 T N -0.166 114.338 114.554 -0.083 0.000 2.624 164 T HA -0.305 4.045 4.350 0.000 0.000 0.268 164 T C 1.917 176.586 174.700 -0.052 0.000 1.041 164 T CA 2.033 64.085 62.100 -0.080 0.000 1.159 164 T CB -0.310 68.525 68.868 -0.055 0.000 0.863 164 T HN 0.481 nan 8.240 nan 0.000 0.434 165 K N 0.628 121.012 120.400 -0.027 0.000 2.057 165 K HA -0.111 4.209 4.320 0.000 0.000 0.207 165 K C 2.487 179.088 176.600 0.002 0.000 1.049 165 K CA 1.276 57.556 56.287 -0.011 0.000 0.931 165 K CB -0.165 32.333 32.500 -0.003 0.000 0.714 165 K HN 0.457 nan 8.250 nan 0.000 0.440 166 E N 1.056 121.264 120.200 0.014 0.000 2.085 166 E HA -0.204 4.146 4.350 0.000 0.000 0.194 166 E C 1.935 178.561 176.600 0.043 0.000 0.994 166 E CA 1.078 57.505 56.400 0.045 0.000 0.801 166 E CB 0.009 29.764 29.700 0.091 0.000 0.743 166 E HN 0.259 nan 8.360 nan 0.000 0.453 167 I N 0.847 121.419 120.570 0.004 0.000 2.163 167 I HA -0.248 3.922 4.170 0.000 0.000 0.240 167 I C 2.254 178.371 176.117 0.001 0.000 1.081 167 I CA 1.328 62.627 61.300 -0.002 0.000 1.353 167 I CB -0.315 37.631 38.000 -0.090 0.000 1.054 167 I HN 0.107 nan 8.210 nan 0.000 0.407 168 E N 0.343 120.535 120.200 -0.014 0.000 2.160 168 E HA -0.219 4.131 4.350 0.000 0.000 0.195 168 E C 2.096 178.697 176.600 0.001 0.000 0.991 168 E CA 2.001 58.396 56.400 -0.009 0.000 0.810 168 E CB -0.179 29.511 29.700 -0.016 0.000 0.742 168 E HN 0.647 nan 8.360 nan 0.000 0.466 169 T N -1.988 112.571 114.554 0.008 0.000 2.976 169 T HA -0.049 4.301 4.350 0.000 0.000 0.257 169 T C 2.139 176.850 174.700 0.018 0.000 1.051 169 T CA 1.233 63.340 62.100 0.012 0.000 1.141 169 T CB -0.162 68.715 68.868 0.014 0.000 0.881 169 T HN 0.203 nan 8.240 nan 0.000 0.461 170 T N -2.677 111.894 114.554 0.028 0.000 2.990 170 T HA 0.588 4.938 4.350 0.000 0.000 0.250 170 T C 1.795 176.516 174.700 0.036 0.000 1.041 170 T CA 0.799 62.919 62.100 0.033 0.000 1.010 170 T CB 0.165 69.059 68.868 0.045 0.000 1.003 170 T HN 0.845 nan 8.240 nan 0.000 0.499 171 G N 0.860 109.683 108.800 0.039 0.000 4.686 171 G HA2 -0.252 3.708 3.960 0.000 0.000 0.235 171 G HA3 -0.252 3.708 3.960 0.000 0.000 0.235 171 G C 0.398 175.343 174.900 0.075 0.000 1.589 171 G CA 0.261 45.386 45.100 0.041 0.000 1.172 171 G HN 0.784 nan 8.290 nan 0.000 0.660 172 T N 0.370 114.982 114.554 0.096 0.000 2.865 172 T HA 0.669 5.019 4.350 0.000 0.000 0.302 172 T C -0.188 174.681 174.700 0.281 0.000 1.078 172 T CA 0.945 63.148 62.100 0.172 0.000 0.942 172 T CB 0.700 69.618 68.868 0.083 0.000 1.387 172 T HN 1.681 nan 8.240 nan 0.000 0.557 173 Y N -1.327 118.983 120.300 0.017 0.000 2.713 173 Y HA 0.654 5.204 4.550 0.000 0.000 0.335 173 Y C -1.520 174.404 175.900 0.040 0.000 1.222 173 Y CA -1.362 56.758 58.100 0.034 0.000 1.061 173 Y CB 0.670 39.161 38.460 0.051 0.000 1.314 173 Y HN 0.351 nan 8.280 nan 0.000 0.453 174 Q N 1.749 121.548 119.800 -0.002 0.000 2.309 174 Q HA 0.484 4.824 4.340 0.000 0.000 0.264 174 Q C -1.371 174.591 176.000 -0.064 0.000 1.008 174 Q CA -0.953 54.793 55.803 -0.095 0.000 0.853 174 Q CB 2.978 31.720 28.738 0.007 0.000 1.314 174 Q HN 0.766 nan 8.270 nan 0.000 0.448 175 L N 1.460 122.628 121.223 -0.091 0.000 2.399 175 L HA 0.349 4.689 4.340 0.000 0.000 0.266 175 L C 0.724 177.603 176.870 0.016 0.000 1.114 175 L CA 0.140 54.981 54.840 0.003 0.000 0.804 175 L CB 1.181 43.252 42.059 0.020 0.000 1.146 175 L HN 0.714 nan 8.230 nan 0.000 0.451 176 T N -0.082 114.474 114.554 0.004 0.000 2.913 176 T HA 0.194 4.544 4.350 0.000 0.000 0.287 176 T C 1.319 176.005 174.700 -0.023 0.000 1.008 176 T CA -0.705 61.389 62.100 -0.010 0.000 1.067 176 T CB 0.672 69.525 68.868 -0.026 0.000 0.996 176 T HN 0.494 nan 8.240 nan 0.000 0.513 177 L N 0.929 122.143 121.223 -0.015 0.000 2.010 177 L HA -0.189 4.151 4.340 0.000 0.000 0.219 177 L C 1.893 178.763 176.870 -0.000 0.000 1.077 177 L CA 2.349 57.177 54.840 -0.019 0.000 0.773 177 L CB -1.263 40.785 42.059 -0.017 0.000 0.892 177 L HN 0.792 nan 8.230 nan 0.000 0.436 178 D N -0.412 120.000 120.400 0.020 0.000 2.123 178 D HA -0.223 4.417 4.640 0.000 0.000 0.196 178 D C 1.930 178.303 176.300 0.121 0.000 0.992 178 D CA 1.473 55.530 54.000 0.096 0.000 0.833 178 D CB 0.044 40.939 40.800 0.159 0.000 0.954 178 D HN 0.568 nan 8.370 nan 0.000 0.455 179 E N 0.507 120.636 120.200 -0.118 0.000 2.038 179 E HA -0.177 4.173 4.350 0.000 0.000 0.195 179 E C 2.177 178.924 176.600 0.245 0.000 1.000 179 E CA 0.432 56.743 56.400 -0.149 0.000 0.803 179 E CB -0.163 29.393 29.700 -0.239 0.000 0.750 179 E HN 0.075 nan 8.360 nan 0.000 0.448 180 L N 1.049 122.325 121.223 0.089 0.000 2.013 180 L HA -0.225 4.115 4.340 0.000 0.000 0.212 180 L C 2.036 178.919 176.870 0.023 0.000 1.073 180 L CA 1.594 56.431 54.840 -0.005 0.000 0.753 180 L CB -0.412 41.583 42.059 -0.107 0.000 0.890 180 L HN 0.076 nan 8.230 nan 0.000 0.432 181 I N -0.796 119.812 120.570 0.063 0.000 2.099 181 I HA -0.306 3.864 4.170 0.000 0.000 0.239 181 I C 2.369 178.584 176.117 0.163 0.000 1.066 181 I CA 1.767 63.107 61.300 0.066 0.000 1.324 181 I CB -1.070 36.971 38.000 0.069 0.000 1.037 181 I HN 0.376 nan 8.210 nan 0.000 0.401 182 F N 1.269 121.311 119.950 0.153 0.000 2.154 182 F HA -0.283 4.244 4.527 0.000 0.000 0.301 182 F C 2.326 178.266 175.800 0.233 0.000 1.087 182 F CA 1.662 59.802 58.000 0.234 0.000 1.274 182 F CB -0.368 38.853 39.000 0.369 0.000 1.009 182 F HN 0.054 nan 8.300 nan 0.000 0.485 183 A N 0.080 123.081 122.820 0.302 0.000 1.873 183 A HA -0.185 4.135 4.320 0.000 0.000 0.215 183 A C 2.299 179.816 177.584 -0.111 0.000 1.186 183 A CA 2.444 54.521 52.037 0.066 0.000 0.616 183 A CB -1.657 17.300 19.000 -0.073 0.000 0.823 183 A HN 0.536 nan 8.150 nan 0.000 0.442 184 T N -1.352 113.159 114.554 -0.071 0.000 2.759 184 T HA -0.190 4.160 4.350 0.000 0.000 0.269 184 T C 1.786 176.538 174.700 0.088 0.000 1.042 184 T CA 1.769 63.856 62.100 -0.021 0.000 1.140 184 T CB -0.369 68.493 68.868 -0.009 0.000 0.864 184 T HN 0.549 nan 8.240 nan 0.000 0.455 185 K N -0.041 120.408 120.400 0.083 0.000 2.062 185 K HA 0.148 4.468 4.320 0.000 0.000 0.205 185 K C 2.351 179.032 176.600 0.134 0.000 1.051 185 K CA 1.137 57.555 56.287 0.218 0.000 0.941 185 K CB -0.286 32.324 32.500 0.182 0.000 0.719 185 K HN 0.191 nan 8.250 nan 0.000 0.440 186 M N 1.232 120.750 119.600 -0.138 0.000 2.086 186 M HA -0.121 4.359 4.480 0.000 0.000 0.261 186 M C 2.144 178.330 176.300 -0.189 0.000 1.067 186 M CA 1.574 56.709 55.300 -0.275 0.000 1.116 186 M CB -0.497 31.853 32.600 -0.417 0.000 1.348 186 M HN 0.191 nan 8.290 nan 0.000 0.407 187 A N -0.935 121.753 122.820 -0.219 0.000 1.917 187 A HA -0.248 4.072 4.320 0.000 0.000 0.219 187 A C 2.045 179.572 177.584 -0.095 0.000 1.182 187 A CA 2.012 53.806 52.037 -0.404 0.000 0.633 187 A CB -1.604 16.747 19.000 -1.083 0.000 0.819 187 A HN 0.795 nan 8.150 nan 0.000 0.448 188 W N 0.845 122.132 121.300 -0.023 0.000 2.355 188 W HA -0.138 4.522 4.660 0.000 0.000 0.309 188 W C 2.333 178.777 176.519 -0.125 0.000 1.206 188 W CA 1.574 58.898 57.345 -0.035 0.000 1.284 188 W CB -0.758 28.662 29.460 -0.066 0.000 1.145 188 W HN 0.374 nan 8.180 nan 0.000 0.502 189 R N 0.341 120.782 120.500 -0.098 0.000 2.139 189 R HA -0.189 4.152 4.340 0.000 0.000 0.243 189 R C 1.308 177.452 176.300 -0.260 0.000 1.145 189 R CA 1.857 57.724 56.100 -0.389 0.000 0.976 189 R CB -0.503 29.383 30.300 -0.690 0.000 0.866 189 R HN 0.105 nan 8.270 nan 0.000 0.449 190 N N 0.032 118.621 118.700 -0.185 0.000 2.336 190 N HA 0.058 4.798 4.740 0.000 0.000 0.189 190 N C -0.629 174.783 175.510 -0.164 0.000 1.113 190 N CA 0.480 53.450 53.050 -0.134 0.000 0.858 190 N CB 0.913 39.378 38.487 -0.036 0.000 0.970 190 N HN 0.149 nan 8.380 nan 0.000 0.471 191 A N 2.494 125.195 122.820 -0.199 0.000 2.410 191 A HA 0.229 4.549 4.320 0.000 0.000 0.292 191 A C -1.078 176.400 177.584 -0.177 0.000 1.232 191 A CA -1.025 50.827 52.037 -0.308 0.000 0.893 191 A CB 0.408 19.286 19.000 -0.204 0.000 1.131 191 A HN 0.002 nan 8.150 nan 0.000 0.530 192 P HA -0.100 nan 4.420 nan 0.000 0.234 192 P C 0.628 177.848 177.300 -0.134 0.000 1.167 192 P CA 0.885 63.917 63.100 -0.114 0.000 0.763 192 P CB 0.198 31.835 31.700 -0.104 0.000 0.835 193 R N -1.087 119.287 120.500 -0.210 0.000 2.427 193 R HA 0.192 4.532 4.340 0.000 0.000 0.262 193 R C 0.246 176.518 176.300 -0.046 0.000 0.943 193 R CA -0.198 55.797 56.100 -0.176 0.000 1.081 193 R CB -0.147 29.823 30.300 -0.550 0.000 1.166 193 R HN 0.131 nan 8.270 nan 0.000 0.534 194 C N 0.808 120.065 119.300 -0.071 0.000 2.271 194 C HA 0.413 4.874 4.460 0.000 0.000 0.323 194 C C 1.474 176.417 174.990 -0.078 0.000 1.245 194 C CA -0.756 58.248 59.018 -0.022 0.000 1.548 194 C CB -0.492 27.288 27.740 0.066 0.000 2.214 194 C HN 0.531 nan 8.230 nan 0.000 0.477 195 I N 4.345 124.823 120.570 -0.153 0.000 3.444 195 I HA 0.108 4.278 4.170 0.000 0.000 0.287 195 I C 2.118 178.304 176.117 0.115 0.000 1.302 195 I CA 1.074 62.233 61.300 -0.237 0.000 1.368 195 I CB -0.150 37.718 38.000 -0.219 0.000 1.048 195 I HN 0.931 nan 8.210 nan 0.000 0.487 196 G N 0.527 109.376 108.800 0.082 0.000 3.284 196 G HA2 0.041 4.001 3.960 0.000 0.000 0.236 196 G HA3 0.041 4.001 3.960 0.000 0.000 0.236 196 G C 1.367 176.284 174.900 0.028 0.000 1.158 196 G CA -0.375 44.768 45.100 0.073 0.000 0.774 196 G HN 0.251 nan 8.290 nan 0.000 0.545 197 R N -0.083 120.377 120.500 -0.066 0.000 2.341 197 R HA 0.049 4.389 4.340 0.000 0.000 0.213 197 R C 1.959 177.732 176.300 -0.878 0.000 1.082 197 R CA 0.277 56.047 56.100 -0.550 0.000 1.017 197 R CB -0.236 29.767 30.300 -0.494 0.000 0.860 197 R HN 0.450 nan 8.270 nan 0.000 0.473 198 I N 1.010 121.228 120.570 -0.586 0.000 2.567 198 I HA -0.244 3.926 4.170 0.000 0.000 0.257 198 I C 1.482 177.486 176.117 -0.188 0.000 1.184 198 I CA 1.274 62.410 61.300 -0.273 0.000 1.451 198 I CB 0.154 38.147 38.000 -0.013 0.000 1.089 198 I HN 0.188 nan 8.210 nan 0.000 0.441 199 Q N 0.442 120.049 119.800 -0.321 0.000 2.360 199 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 199 Q C 1.668 177.140 176.000 -0.879 0.000 0.915 199 Q CA 0.435 56.025 55.803 -0.355 0.000 0.943 199 Q CB -0.192 28.513 28.738 -0.056 0.000 1.064 199 Q HN 0.777 nan 8.270 nan 0.000 0.511 200 W N 1.474 121.861 121.300 -1.521 0.000 2.276 200 W HA -0.279 4.382 4.660 0.000 0.000 0.307 200 W C 1.152 177.258 176.519 -0.688 0.000 1.240 200 W CA 1.660 57.900 57.345 -1.842 0.000 1.249 200 W CB -1.496 27.238 29.460 -1.209 0.000 1.140 200 W HN 0.152 nan 8.180 nan 0.000 0.519 201 S N -0.106 114.691 115.700 -1.505 0.000 2.603 201 S HA 0.014 4.484 4.470 0.000 0.000 0.220 201 S C 0.614 174.933 174.600 -0.469 0.000 0.967 201 S CA 0.093 57.605 58.200 -1.147 0.000 0.920 201 S CB -0.540 61.799 63.200 -1.434 0.000 0.773 201 S HN 0.229 nan 8.310 nan 0.000 0.529 202 N N 1.408 119.946 118.700 -0.271 0.000 2.816 202 N HA 0.457 5.197 4.740 0.000 0.000 0.236 202 N C -1.632 173.958 175.510 0.133 0.000 1.076 202 N CA -0.311 52.709 53.050 -0.050 0.000 0.902 202 N CB 0.920 39.400 38.487 -0.011 0.000 1.149 202 N HN 0.374 nan 8.380 nan 0.000 0.506 203 L N 2.411 123.674 121.223 0.067 0.000 2.516 203 L HA 0.369 4.709 4.340 0.000 0.000 0.267 203 L C -0.782 176.031 176.870 -0.094 0.000 0.957 203 L CA -0.591 54.278 54.840 0.047 0.000 0.860 203 L CB 1.898 44.035 42.059 0.129 0.000 1.265 203 L HN 0.270 nan 8.230 nan 0.000 0.403 204 Q N 2.979 122.677 119.800 -0.170 0.000 2.314 204 Q HA 0.587 4.928 4.340 0.000 0.000 0.258 204 Q C -1.621 174.023 176.000 -0.594 0.000 0.954 204 Q CA -0.003 55.534 55.803 -0.443 0.000 0.890 204 Q CB 1.430 29.778 28.738 -0.649 0.000 1.210 204 Q HN 0.518 nan 8.270 nan 0.000 0.410 205 V N 5.723 125.249 119.914 -0.646 0.000 2.409 205 V HA 0.437 4.558 4.120 0.000 0.000 0.291 205 V C -0.990 174.703 176.094 -0.669 0.000 1.020 205 V CA -0.605 61.380 62.300 -0.525 0.000 0.848 205 V CB 0.870 32.524 31.823 -0.282 0.000 0.990 205 V HN 0.666 nan 8.190 nan 0.000 0.430 206 F N 2.669 122.461 119.950 -0.263 0.000 2.361 206 F HA 0.389 4.916 4.527 0.000 0.000 0.364 206 F C 0.474 176.102 175.800 -0.286 0.000 1.117 206 F CA -1.007 56.838 58.000 -0.258 0.000 1.071 206 F CB 1.075 39.923 39.000 -0.253 0.000 1.188 206 F HN 0.419 nan 8.300 nan 0.000 0.464 207 D N 3.262 123.613 120.400 -0.081 0.000 2.352 207 D HA 0.363 5.003 4.640 0.000 0.000 0.245 207 D C 0.190 176.362 176.300 -0.212 0.000 1.224 207 D CA 0.196 54.102 54.000 -0.157 0.000 0.879 207 D CB 1.170 41.908 40.800 -0.104 0.000 1.057 207 D HN 0.625 nan 8.370 nan 0.000 0.491 208 A N 4.656 127.229 122.820 -0.411 0.000 2.594 208 A HA 0.148 4.468 4.320 0.000 0.000 0.287 208 A C 1.736 179.125 177.584 -0.324 0.000 1.227 208 A CA -0.375 51.303 52.037 -0.598 0.000 0.952 208 A CB 0.078 18.311 19.000 -1.278 0.000 1.161 208 A HN 0.546 nan 8.150 nan 0.000 0.524 209 R N 0.923 121.304 120.500 -0.199 0.000 2.159 209 R HA -0.167 4.173 4.340 0.000 0.000 0.237 209 R C 1.413 177.665 176.300 -0.080 0.000 1.131 209 R CA 1.719 57.755 56.100 -0.106 0.000 0.982 209 R CB -0.317 29.963 30.300 -0.034 0.000 0.868 209 R HN 0.904 nan 8.270 nan 0.000 0.453 210 N N -0.272 118.400 118.700 -0.047 0.000 2.398 210 N HA -0.028 4.712 4.740 0.000 0.000 0.188 210 N C 0.512 176.048 175.510 0.042 0.000 1.122 210 N CA -0.430 52.625 53.050 0.009 0.000 0.866 210 N CB 0.041 38.548 38.487 0.034 0.000 0.970 210 N HN 0.029 nan 8.380 nan 0.000 0.462 211 C N 1.348 120.653 119.300 0.007 0.000 2.703 211 C HA 0.213 4.673 4.460 0.000 0.000 0.411 211 C C 1.780 176.852 174.990 0.137 0.000 1.290 211 C CA 0.564 59.644 59.018 0.103 0.000 2.054 211 C CB 0.618 28.425 27.740 0.112 0.000 2.732 211 C HN 0.623 nan 8.230 nan 0.000 0.650 212 S N 1.181 117.047 115.700 0.277 0.000 2.615 212 S HA 0.203 4.673 4.470 0.000 0.000 0.277 212 S C 0.127 174.931 174.600 0.340 0.000 1.068 212 S CA 0.488 58.922 58.200 0.391 0.000 1.315 212 S CB -0.258 63.085 63.200 0.239 0.000 1.193 212 S HN 1.199 nan 8.310 nan 0.000 0.656 213 T N -1.427 113.289 114.554 0.270 0.000 2.916 213 T HA 0.846 5.196 4.350 0.000 0.000 0.292 213 T C 1.265 176.059 174.700 0.158 0.000 1.055 213 T CA -0.141 62.066 62.100 0.178 0.000 1.009 213 T CB 1.448 70.398 68.868 0.137 0.000 1.118 213 T HN 0.343 nan 8.240 nan 0.000 0.497 214 A N 0.915 123.802 122.820 0.112 0.000 1.877 214 A HA -0.101 4.219 4.320 0.000 0.000 0.216 214 A C 2.281 179.847 177.584 -0.029 0.000 1.186 214 A CA 2.215 54.302 52.037 0.083 0.000 0.620 214 A CB -1.280 17.852 19.000 0.220 0.000 0.822 214 A HN 0.935 nan 8.150 nan 0.000 0.443 215 Q N 0.237 120.104 119.800 0.110 0.000 2.234 215 Q HA -0.181 4.159 4.340 0.000 0.000 0.206 215 Q C 1.679 177.707 176.000 0.046 0.000 0.980 215 Q CA 2.268 58.118 55.803 0.078 0.000 0.869 215 Q CB -0.393 28.467 28.738 0.204 0.000 0.912 215 Q HN 0.760 nan 8.270 nan 0.000 0.436 216 E N -0.660 119.589 120.200 0.082 0.000 2.112 216 E HA -0.090 4.260 4.350 0.000 0.000 0.190 216 E C 1.998 178.711 176.600 0.187 0.000 0.979 216 E CA 1.063 57.531 56.400 0.113 0.000 0.814 216 E CB -0.090 29.722 29.700 0.187 0.000 0.762 216 E HN 0.467 nan 8.360 nan 0.000 0.460 217 M N 0.165 119.844 119.600 0.132 0.000 2.067 217 M HA -0.161 4.319 4.480 0.000 0.000 0.260 217 M C 2.230 178.568 176.300 0.062 0.000 1.069 217 M CA 1.319 56.663 55.300 0.073 0.000 1.117 217 M CB -0.340 32.112 32.600 -0.247 0.000 1.334 217 M HN 0.112 nan 8.290 nan 0.000 0.407 218 F N 1.485 121.241 119.950 -0.323 0.000 2.120 218 F HA -0.301 4.226 4.527 0.000 0.000 0.300 218 F C 2.259 177.945 175.800 -0.191 0.000 1.095 218 F CA 1.908 59.655 58.000 -0.423 0.000 1.249 218 F CB -0.518 37.897 39.000 -0.975 0.000 0.995 218 F HN 0.205 nan 8.300 nan 0.000 0.480 219 Q N -1.152 118.468 119.800 -0.299 0.000 2.079 219 Q HA -0.199 4.141 4.340 0.000 0.000 0.200 219 Q C 2.233 178.048 176.000 -0.309 0.000 0.974 219 Q CA 1.546 57.120 55.803 -0.382 0.000 0.840 219 Q CB -0.519 28.062 28.738 -0.262 0.000 0.898 219 Q HN 0.545 nan 8.270 nan 0.000 0.430 220 H N 0.473 119.487 119.070 -0.092 0.000 2.353 220 H HA -0.084 4.473 4.556 0.000 0.000 0.300 220 H C 2.209 177.479 175.328 -0.096 0.000 1.090 220 H CA 1.258 57.262 56.048 -0.074 0.000 1.327 220 H CB -0.075 29.744 29.762 0.095 0.000 1.383 220 H HN 0.243 nan 8.280 nan 0.000 0.508 221 I N 0.095 120.728 120.570 0.106 0.000 2.163 221 I HA -0.321 3.849 4.170 0.000 0.000 0.243 221 I C 2.782 178.836 176.117 -0.104 0.000 1.085 221 I CA 0.953 62.267 61.300 0.024 0.000 1.347 221 I CB -0.359 37.655 38.000 0.023 0.000 1.044 221 I HN 0.229 nan 8.210 nan 0.000 0.408 222 C N 0.284 119.419 119.300 -0.274 0.000 2.398 222 C HA -0.213 4.247 4.460 0.000 0.000 0.276 222 C C 3.001 177.886 174.990 -0.176 0.000 1.222 222 C CA 1.292 60.139 59.018 -0.286 0.000 1.746 222 C CB -1.235 26.220 27.740 -0.476 0.000 2.039 222 C HN 0.475 nan 8.230 nan 0.000 0.470 223 R N -0.191 120.179 120.500 -0.217 0.000 2.091 223 R HA -0.193 4.147 4.340 0.000 0.000 0.238 223 R C 2.143 178.314 176.300 -0.215 0.000 1.136 223 R CA 2.132 58.084 56.100 -0.246 0.000 0.959 223 R CB -0.646 29.426 30.300 -0.381 0.000 0.856 223 R HN 0.796 nan 8.270 nan 0.000 0.437 224 H N -0.093 118.785 119.070 -0.319 0.000 2.256 224 H HA -0.107 4.449 4.556 0.000 0.000 0.299 224 H C 2.097 177.447 175.328 0.037 0.000 1.071 224 H CA 2.378 58.337 56.048 -0.149 0.000 1.280 224 H CB -0.105 29.618 29.762 -0.064 0.000 1.370 224 H HN 0.176 nan 8.280 nan 0.000 0.490 225 I N 0.536 121.238 120.570 0.220 0.000 2.145 225 I HA -0.345 3.825 4.170 0.000 0.000 0.244 225 I C 2.700 178.887 176.117 0.117 0.000 1.075 225 I CA 1.372 62.753 61.300 0.135 0.000 1.332 225 I CB -0.339 37.671 38.000 0.016 0.000 1.033 225 I HN 0.419 nan 8.210 nan 0.000 0.410 226 L N -0.359 120.904 121.223 0.066 0.000 2.017 226 L HA -0.285 4.055 4.340 0.000 0.000 0.208 226 L C 2.734 179.651 176.870 0.077 0.000 1.073 226 L CA 1.728 56.595 54.840 0.045 0.000 0.745 226 L CB -0.438 41.625 42.059 0.006 0.000 0.894 226 L HN 0.273 nan 8.230 nan 0.000 0.432 227 Y N 0.290 120.600 120.300 0.017 0.000 2.145 227 Y HA -0.246 4.304 4.550 0.000 0.000 0.286 227 Y C 2.360 178.319 175.900 0.098 0.000 1.145 227 Y CA 1.725 59.866 58.100 0.068 0.000 1.148 227 Y CB -0.361 38.184 38.460 0.140 0.000 0.981 227 Y HN 0.209 nan 8.280 nan 0.000 0.507 228 A N -0.690 122.229 122.820 0.165 0.000 1.930 228 A HA -0.132 4.188 4.320 0.000 0.000 0.217 228 A C 2.189 179.794 177.584 0.035 0.000 1.175 228 A CA 2.080 54.184 52.037 0.112 0.000 0.627 228 A CB -1.252 17.941 19.000 0.322 0.000 0.815 228 A HN 0.515 nan 8.150 nan 0.000 0.443 229 T N -0.059 114.526 114.554 0.053 0.000 2.777 229 T HA -0.115 4.235 4.350 0.000 0.000 0.266 229 T C 1.136 175.829 174.700 -0.011 0.000 1.040 229 T CA 1.248 63.375 62.100 0.045 0.000 1.141 229 T CB -0.433 68.466 68.868 0.051 0.000 0.868 229 T HN 0.668 nan 8.240 nan 0.000 0.444 230 N N 1.974 120.636 118.700 -0.063 0.000 2.708 230 N HA -0.291 4.449 4.740 0.000 0.000 0.251 230 N C 0.129 175.608 175.510 -0.051 0.000 1.017 230 N CA 0.989 53.983 53.050 -0.094 0.000 0.742 230 N CB -2.180 36.203 38.487 -0.174 0.000 0.943 230 N HN 0.669 nan 8.380 nan 0.000 0.539 231 N N -1.842 116.841 118.700 -0.027 0.000 2.747 231 N HA -0.243 4.497 4.740 0.000 0.000 0.249 231 N C 0.877 176.372 175.510 -0.024 0.000 1.107 231 N CA 1.195 54.232 53.050 -0.022 0.000 0.707 231 N CB -1.250 37.221 38.487 -0.026 0.000 1.054 231 N HN 1.123 nan 8.380 nan 0.000 0.555 232 G N 0.246 109.038 108.800 -0.013 0.000 2.284 232 G HA2 -0.309 3.651 3.960 0.000 0.000 0.216 232 G HA3 -0.309 3.651 3.960 0.000 0.000 0.216 232 G C -0.100 174.792 174.900 -0.013 0.000 1.009 232 G CA 0.289 45.383 45.100 -0.009 0.000 0.625 232 G HN 0.596 nan 8.290 nan 0.000 0.501 233 N N 1.772 120.450 118.700 -0.036 0.000 3.034 233 N HA 0.371 5.111 4.740 0.000 0.000 0.265 233 N C 0.609 176.094 175.510 -0.042 0.000 1.166 233 N CA -0.792 52.221 53.050 -0.062 0.000 1.081 233 N CB -0.121 38.325 38.487 -0.068 0.000 1.378 233 N HN 0.185 nan 8.380 nan 0.000 0.520 234 I N 2.317 122.890 120.570 0.005 0.000 2.845 234 I HA -0.063 4.107 4.170 0.000 0.000 0.296 234 I C 0.801 177.025 176.117 0.179 0.000 1.216 234 I CA 0.888 62.256 61.300 0.114 0.000 1.438 234 I CB -0.009 38.143 38.000 0.252 0.000 1.342 234 I HN 0.447 nan 8.210 nan 0.000 0.577 235 R N 3.692 124.273 120.500 0.135 0.000 2.621 235 R HA 0.428 4.768 4.340 0.000 0.000 0.292 235 R C -0.578 175.836 176.300 0.190 0.000 0.969 235 R CA -0.721 55.465 56.100 0.142 0.000 0.887 235 R CB 1.992 32.221 30.300 -0.118 0.000 1.180 235 R HN 0.533 nan 8.270 nan 0.000 0.450 236 S N 1.306 117.110 115.700 0.173 0.000 2.523 236 S HA 0.587 5.057 4.470 0.000 0.000 0.275 236 S C -0.437 174.189 174.600 0.043 0.000 1.281 236 S CA -0.387 57.828 58.200 0.025 0.000 1.050 236 S CB 1.380 64.506 63.200 -0.123 0.000 0.937 236 S HN 0.692 nan 8.310 nan 0.000 0.492 237 A N 2.884 125.698 122.820 -0.010 0.000 2.609 237 A HA 0.864 5.184 4.320 0.000 0.000 0.291 237 A C -1.364 176.179 177.584 -0.069 0.000 1.096 237 A CA -0.686 51.264 52.037 -0.145 0.000 0.684 237 A CB 1.196 20.069 19.000 -0.212 0.000 1.282 237 A HN 0.804 nan 8.150 nan 0.000 0.412 238 I N 0.151 120.660 120.570 -0.102 0.000 2.692 238 I HA 0.601 4.771 4.170 0.000 0.000 0.293 238 I C -1.224 174.940 176.117 0.078 0.000 1.200 238 I CA -0.108 61.267 61.300 0.125 0.000 1.036 238 I CB 2.417 40.444 38.000 0.045 0.000 1.258 238 I HN 0.582 nan 8.210 nan 0.000 0.421 239 T N 6.415 121.065 114.554 0.161 0.000 2.772 239 T HA 0.405 4.756 4.350 0.000 0.000 0.288 239 T C -0.614 173.870 174.700 -0.360 0.000 0.994 239 T CA -0.347 61.704 62.100 -0.082 0.000 0.951 239 T CB 1.304 70.132 68.868 -0.067 0.000 0.933 239 T HN 0.267 nan 8.240 nan 0.000 0.447 240 V N 5.444 125.104 119.914 -0.422 0.000 2.348 240 V HA 0.415 4.535 4.120 0.000 0.000 0.270 240 V C -0.147 175.652 176.094 -0.492 0.000 1.037 240 V CA -0.636 61.420 62.300 -0.406 0.000 0.872 240 V CB -0.491 31.076 31.823 -0.426 0.000 1.002 240 V HN 0.739 nan 8.190 nan 0.000 0.464 241 F N 5.109 125.004 119.950 -0.092 0.000 2.364 241 F HA 0.465 4.992 4.527 0.000 0.000 0.316 241 F C -1.772 173.950 175.800 -0.130 0.000 1.133 241 F CA -2.476 55.394 58.000 -0.217 0.000 1.051 241 F CB 0.365 39.224 39.000 -0.236 0.000 1.342 241 F HN 0.294 nan 8.300 nan 0.000 0.507 242 P HA -0.027 nan 4.420 nan 0.000 0.262 242 P C -1.163 176.196 177.300 0.099 0.000 1.182 242 P CA -0.064 62.985 63.100 -0.085 0.000 0.761 242 P CB 0.160 31.677 31.700 -0.305 0.000 0.795 243 Q N 3.279 123.084 119.800 0.008 0.000 2.474 243 Q HA 0.047 4.387 4.340 0.000 0.000 0.256 243 Q C 0.169 176.056 176.000 -0.189 0.000 1.048 243 Q CA -0.444 55.079 55.803 -0.467 0.000 0.922 243 Q CB 0.683 28.903 28.738 -0.863 0.000 1.288 243 Q HN 0.340 nan 8.270 nan 0.000 0.484 244 R N 1.059 121.425 120.500 -0.223 0.000 2.491 244 R HA 0.044 4.384 4.340 0.000 0.000 0.283 244 R C 0.032 176.296 176.300 -0.060 0.000 1.072 244 R CA 0.653 56.715 56.100 -0.063 0.000 1.048 244 R CB 0.636 30.900 30.300 -0.059 0.000 0.983 244 R HN 0.949 nan 8.270 nan 0.000 0.450 245 S N 2.675 118.382 115.700 0.011 0.000 2.885 245 S HA -0.044 4.426 4.470 0.000 0.000 0.172 245 S C 1.062 175.674 174.600 0.020 0.000 0.703 245 S CA 0.259 58.461 58.200 0.003 0.000 0.820 245 S CB -0.224 62.976 63.200 -0.000 0.000 0.766 245 S HN 0.826 nan 8.310 nan 0.000 0.605 246 D N 0.328 120.761 120.400 0.055 0.000 2.271 246 D HA 0.232 4.872 4.640 0.000 0.000 0.206 246 D C 1.550 177.894 176.300 0.073 0.000 0.967 246 D CA 1.280 55.321 54.000 0.068 0.000 0.867 246 D CB -0.253 40.610 40.800 0.105 0.000 0.960 246 D HN 0.879 nan 8.370 nan 0.000 0.509 247 G N 0.833 109.689 108.800 0.093 0.000 2.284 247 G HA2 -0.236 3.724 3.960 0.000 0.000 0.201 247 G HA3 -0.236 3.724 3.960 0.000 0.000 0.201 247 G C 1.028 175.957 174.900 0.047 0.000 0.998 247 G CA 0.163 45.296 45.100 0.056 0.000 0.651 247 G HN 0.385 nan 8.290 nan 0.000 0.489 248 K N 0.015 120.460 120.400 0.074 0.000 2.374 248 K HA 0.283 4.603 4.320 0.000 0.000 0.196 248 K C 0.280 176.712 176.600 -0.281 0.000 1.023 248 K CA 0.212 56.456 56.287 -0.072 0.000 1.103 248 K CB 0.270 32.716 32.500 -0.090 0.000 0.848 248 K HN 0.499 nan 8.250 nan 0.000 0.528 249 H N 0.549 119.615 119.070 -0.006 0.000 2.591 249 H HA 0.191 4.747 4.556 0.000 0.000 0.241 249 H C -1.073 174.245 175.328 -0.016 0.000 1.292 249 H CA -0.708 55.324 56.048 -0.027 0.000 1.022 249 H CB 0.201 29.965 29.762 0.004 0.000 1.875 249 H HN -0.008 nan 8.280 nan 0.000 0.570 250 D N 0.528 120.949 120.400 0.036 0.000 2.304 250 D HA 0.075 4.716 4.640 0.000 0.000 0.250 250 D C -0.032 176.272 176.300 0.007 0.000 1.107 250 D CA 0.065 54.113 54.000 0.079 0.000 0.885 250 D CB 0.907 41.745 40.800 0.063 0.000 1.192 250 D HN 0.152 nan 8.370 nan 0.000 0.436 251 F N 2.266 122.249 119.950 0.055 0.000 2.404 251 F HA 0.363 4.891 4.527 0.000 0.000 0.345 251 F C 1.069 176.887 175.800 0.030 0.000 1.110 251 F CA -0.181 57.827 58.000 0.014 0.000 1.130 251 F CB 0.911 39.918 39.000 0.011 0.000 1.129 251 F HN -0.118 nan 8.300 nan 0.000 0.500 252 R N 3.119 123.706 120.500 0.146 0.000 2.707 252 R HA 0.552 4.892 4.340 0.000 0.000 0.272 252 R C -1.914 174.505 176.300 0.199 0.000 1.011 252 R CA -1.163 55.044 56.100 0.178 0.000 0.893 252 R CB 2.278 32.699 30.300 0.202 0.000 1.233 252 R HN 0.464 nan 8.270 nan 0.000 0.464 253 L N 1.294 122.642 121.223 0.209 0.000 2.305 253 L HA 0.383 4.723 4.340 0.000 0.000 0.284 253 L C 0.510 177.602 176.870 0.371 0.000 1.013 253 L CA -0.168 54.802 54.840 0.217 0.000 0.819 253 L CB 1.087 43.208 42.059 0.104 0.000 1.227 253 L HN 0.591 nan 8.230 nan 0.000 0.417 254 W N 0.728 122.103 121.300 0.125 0.000 2.800 254 W HA 0.043 4.703 4.660 0.000 0.000 0.249 254 W C 0.628 177.267 176.519 0.200 0.000 1.294 254 W CA -0.421 57.093 57.345 0.281 0.000 1.402 254 W CB -0.863 28.870 29.460 0.456 0.000 1.126 254 W HN 0.497 nan 8.180 nan 0.000 0.652 255 N N -0.667 118.145 118.700 0.186 0.000 2.467 255 N HA 0.063 4.803 4.740 0.000 0.000 0.262 255 N C 1.156 176.513 175.510 -0.255 0.000 1.234 255 N CA 0.406 53.269 53.050 -0.313 0.000 0.952 255 N CB 0.641 39.033 38.487 -0.158 0.000 1.158 255 N HN -0.300 nan 8.380 nan 0.000 0.463 256 S N -0.371 115.118 115.700 -0.351 0.000 2.348 256 S HA -0.043 4.427 4.470 0.000 0.000 0.219 256 S C 0.385 174.888 174.600 -0.162 0.000 1.033 256 S CA 0.929 59.018 58.200 -0.185 0.000 0.974 256 S CB -0.130 62.986 63.200 -0.140 0.000 0.868 256 S HN 0.644 nan 8.310 nan 0.000 0.459 257 Q N -0.306 119.386 119.800 -0.179 0.000 2.456 257 Q HA 0.452 4.792 4.340 0.000 0.000 0.283 257 Q C 0.188 176.071 176.000 -0.195 0.000 1.084 257 Q CA -0.881 54.818 55.803 -0.174 0.000 0.801 257 Q CB 0.876 29.552 28.738 -0.103 0.000 1.434 257 Q HN -0.008 nan 8.270 nan 0.000 0.419 258 L N 0.356 121.459 121.223 -0.201 0.000 1.971 258 L HA -0.096 4.244 4.340 0.000 0.000 0.215 258 L C 0.760 177.487 176.870 -0.238 0.000 1.072 258 L CA 1.950 56.676 54.840 -0.190 0.000 0.758 258 L CB -0.498 41.441 42.059 -0.199 0.000 0.889 258 L HN 0.634 nan 8.230 nan 0.000 0.433 259 I N -1.522 118.833 120.570 -0.358 0.000 2.412 259 I HA 0.522 4.692 4.170 0.000 0.000 0.296 259 I C -0.040 175.471 176.117 -1.009 0.000 0.987 259 I CA -0.225 60.680 61.300 -0.658 0.000 1.180 259 I CB 1.614 39.140 38.000 -0.790 0.000 1.340 259 I HN 0.054 nan 8.210 nan 0.000 0.455 260 R N 3.773 123.733 120.500 -0.900 0.000 2.664 260 R HA 0.479 4.819 4.340 0.000 0.000 0.260 260 R C -2.030 174.010 176.300 -0.434 0.000 1.062 260 R CA -0.797 54.897 56.100 -0.677 0.000 0.902 260 R CB 0.792 30.924 30.300 -0.280 0.000 1.258 260 R HN 0.316 nan 8.270 nan 0.000 0.465 261 Y N 1.218 121.482 120.300 -0.060 0.000 2.320 261 Y HA 0.680 5.230 4.550 0.000 0.000 0.324 261 Y C 0.853 176.788 175.900 0.058 0.000 1.190 261 Y CA -0.381 57.759 58.100 0.066 0.000 1.215 261 Y CB 1.495 40.110 38.460 0.259 0.000 1.221 261 Y HN 0.731 nan 8.280 nan 0.000 0.486 262 A N 1.258 124.191 122.820 0.189 0.000 2.304 262 A HA 0.717 5.037 4.320 0.000 0.000 0.271 262 A C 0.359 177.803 177.584 -0.234 0.000 1.091 262 A CA 0.149 52.129 52.037 -0.095 0.000 0.812 262 A CB -0.004 18.873 19.000 -0.206 0.000 1.056 262 A HN 0.904 nan 8.150 nan 0.000 0.489 263 G N -0.309 108.259 108.800 -0.386 0.000 2.643 263 G HA2 0.594 4.554 3.960 0.000 0.000 0.305 263 G HA3 0.594 4.554 3.960 0.000 0.000 0.305 263 G C -1.399 173.279 174.900 -0.370 0.000 1.387 263 G CA -0.299 44.632 45.100 -0.283 0.000 0.982 263 G HN 0.536 nan 8.290 nan 0.000 0.501 264 Y N -0.064 120.297 120.300 0.103 0.000 2.462 264 Y HA 0.502 5.052 4.550 0.000 0.000 0.346 264 Y C 0.400 176.367 175.900 0.112 0.000 0.976 264 Y CA -1.121 57.059 58.100 0.133 0.000 1.044 264 Y CB 2.576 41.173 38.460 0.228 0.000 1.230 264 Y HN 0.484 nan 8.280 nan 0.000 0.455 265 Q N 3.897 123.851 119.800 0.257 0.000 2.835 265 Q HA 0.278 4.618 4.340 0.000 0.000 0.235 265 Q C -0.534 175.550 176.000 0.139 0.000 1.313 265 Q CA -0.654 55.241 55.803 0.154 0.000 1.053 265 Q CB 0.202 29.002 28.738 0.103 0.000 1.443 265 Q HN 0.584 nan 8.270 nan 0.000 0.576 266 M N 2.984 122.662 119.600 0.129 0.000 2.185 266 M HA -0.107 4.373 4.480 0.000 0.000 0.308 266 M C -1.331 174.969 176.300 -0.000 0.000 0.967 266 M CA -0.715 54.609 55.300 0.040 0.000 1.027 266 M CB -0.571 32.034 32.600 0.009 0.000 1.463 266 M HN 0.410 nan 8.290 nan 0.000 0.431 267 P HA -0.199 nan 4.420 nan 0.000 0.215 267 P C 0.471 177.752 177.300 -0.031 0.000 1.157 267 P CA 1.870 64.940 63.100 -0.050 0.000 0.874 267 P CB -0.416 31.230 31.700 -0.089 0.000 0.790 268 D N -1.157 119.222 120.400 -0.034 0.000 2.379 268 D HA 0.022 4.662 4.640 0.000 0.000 0.243 268 D C 1.508 177.803 176.300 -0.008 0.000 1.088 268 D CA 0.848 54.835 54.000 -0.023 0.000 0.925 268 D CB -1.174 39.610 40.800 -0.027 0.000 0.888 268 D HN 0.384 nan 8.370 nan 0.000 0.529 269 G N 0.082 108.883 108.800 0.001 0.000 2.304 269 G HA2 -0.325 3.635 3.960 0.000 0.000 0.252 269 G HA3 -0.325 3.635 3.960 0.000 0.000 0.252 269 G C 0.612 175.524 174.900 0.020 0.000 1.014 269 G CA 0.656 45.763 45.100 0.012 0.000 0.619 269 G HN 0.855 nan 8.290 nan 0.000 0.525 270 T N 0.101 114.665 114.554 0.016 0.000 2.919 270 T HA 0.611 4.961 4.350 0.000 0.000 0.302 270 T C 0.609 175.333 174.700 0.039 0.000 1.031 270 T CA -0.278 61.835 62.100 0.021 0.000 1.127 270 T CB 1.515 70.390 68.868 0.011 0.000 0.952 270 T HN 0.525 nan 8.240 nan 0.000 0.540 271 I N 2.364 122.958 120.570 0.039 0.000 2.440 271 I HA 0.465 4.635 4.170 0.000 0.000 0.294 271 I C 0.745 176.892 176.117 0.050 0.000 0.995 271 I CA -0.903 60.431 61.300 0.057 0.000 1.306 271 I CB 1.357 39.379 38.000 0.037 0.000 1.407 271 I HN 0.623 nan 8.210 nan 0.000 0.501 272 R N 3.642 124.205 120.500 0.105 0.000 2.686 272 R HA 0.651 4.991 4.340 0.000 0.000 0.286 272 R C 0.034 176.384 176.300 0.083 0.000 0.969 272 R CA 0.333 56.494 56.100 0.101 0.000 0.898 272 R CB 1.869 32.278 30.300 0.182 0.000 1.183 272 R HN 0.895 nan 8.270 nan 0.000 0.456 273 G N 2.556 111.331 108.800 -0.042 0.000 2.512 273 G HA2 -0.270 3.690 3.960 0.000 0.000 0.240 273 G HA3 -0.270 3.690 3.960 0.000 0.000 0.240 273 G C -1.047 173.660 174.900 -0.323 0.000 1.246 273 G CA 0.103 45.158 45.100 -0.075 0.000 0.919 273 G HN 0.651 nan 8.290 nan 0.000 0.577 274 D N 1.788 122.154 120.400 -0.058 0.000 2.393 274 D HA 0.570 5.210 4.640 0.000 0.000 0.232 274 D C 1.517 177.821 176.300 0.008 0.000 1.192 274 D CA 0.756 54.751 54.000 -0.010 0.000 0.882 274 D CB 0.699 41.765 40.800 0.444 0.000 1.038 274 D HN 0.922 nan 8.370 nan 0.000 0.499 275 A N 3.682 126.474 122.820 -0.047 0.000 2.076 275 A HA -0.110 4.210 4.320 0.000 0.000 0.220 275 A C 2.005 179.631 177.584 0.070 0.000 1.160 275 A CA 1.648 53.693 52.037 0.013 0.000 0.653 275 A CB -0.179 18.827 19.000 0.011 0.000 0.801 275 A HN 0.601 nan 8.150 nan 0.000 0.455 276 A N -0.478 122.414 122.820 0.120 0.000 2.119 276 A HA 0.064 4.384 4.320 0.000 0.000 0.217 276 A C 1.916 179.582 177.584 0.137 0.000 1.153 276 A CA 1.774 53.901 52.037 0.151 0.000 0.692 276 A CB -0.734 18.385 19.000 0.198 0.000 0.799 276 A HN 0.780 nan 8.150 nan 0.000 0.458 277 T N -3.123 111.501 114.554 0.117 0.000 3.214 277 T HA 0.431 4.781 4.350 0.000 0.000 0.264 277 T C 1.254 175.991 174.700 0.062 0.000 1.012 277 T CA -0.139 62.025 62.100 0.107 0.000 0.901 277 T CB -0.336 68.600 68.868 0.114 0.000 1.070 277 T HN 0.210 nan 8.240 nan 0.000 0.561 278 L N 0.715 121.963 121.223 0.042 0.000 1.970 278 L HA -0.098 4.242 4.340 0.000 0.000 0.212 278 L C 2.894 179.767 176.870 0.004 0.000 1.071 278 L CA 1.878 56.726 54.840 0.014 0.000 0.751 278 L CB -0.452 41.626 42.059 0.031 0.000 0.889 278 L HN 0.376 nan 8.230 nan 0.000 0.432 279 E N -0.500 119.705 120.200 0.008 0.000 2.023 279 E HA -0.289 4.061 4.350 0.000 0.000 0.196 279 E C 2.048 178.580 176.600 -0.113 0.000 1.003 279 E CA 1.732 58.101 56.400 -0.052 0.000 0.809 279 E CB -0.304 29.360 29.700 -0.060 0.000 0.755 279 E HN 0.308 nan 8.360 nan 0.000 0.449 280 F N 1.741 121.547 119.950 -0.240 0.000 2.154 280 F HA -0.240 4.287 4.527 0.000 0.000 0.301 280 F C 2.349 178.037 175.800 -0.185 0.000 1.087 280 F CA 1.667 59.500 58.000 -0.277 0.000 1.274 280 F CB -0.370 38.513 39.000 -0.196 0.000 1.009 280 F HN -0.069 nan 8.300 nan 0.000 0.485 281 T N -0.508 113.989 114.554 -0.096 0.000 2.788 281 T HA -0.245 4.105 4.350 0.000 0.000 0.268 281 T C 1.742 176.382 174.700 -0.099 0.000 1.044 281 T CA 1.526 63.535 62.100 -0.153 0.000 1.139 281 T CB -0.284 68.505 68.868 -0.132 0.000 0.867 281 T HN 0.241 nan 8.240 nan 0.000 0.454 282 Q N 1.148 120.898 119.800 -0.085 0.000 2.020 282 Q HA 0.012 4.352 4.340 0.000 0.000 0.202 282 Q C 2.140 178.075 176.000 -0.109 0.000 0.982 282 Q CA 1.374 57.149 55.803 -0.047 0.000 0.838 282 Q CB -0.852 27.860 28.738 -0.042 0.000 0.899 282 Q HN 0.562 nan 8.270 nan 0.000 0.423 283 L N -0.517 120.569 121.223 -0.228 0.000 2.129 283 L HA -0.251 4.089 4.340 0.000 0.000 0.212 283 L C 1.954 178.682 176.870 -0.237 0.000 1.087 283 L CA 1.603 56.297 54.840 -0.243 0.000 0.757 283 L CB -0.303 41.533 42.059 -0.371 0.000 0.896 283 L HN 0.393 nan 8.230 nan 0.000 0.434 284 C N -0.396 118.708 119.300 -0.326 0.000 2.466 284 C HA -0.083 4.377 4.460 0.000 0.000 0.278 284 C C 2.613 177.655 174.990 0.086 0.000 1.288 284 C CA 0.077 58.965 59.018 -0.217 0.000 1.722 284 C CB -0.668 26.822 27.740 -0.417 0.000 2.017 284 C HN 0.547 nan 8.230 nan 0.000 0.488 285 I N 1.724 122.387 120.570 0.155 0.000 2.208 285 I HA -0.169 4.001 4.170 0.000 0.000 0.245 285 I C 2.069 178.208 176.117 0.036 0.000 1.097 285 I CA 1.859 63.242 61.300 0.139 0.000 1.363 285 I CB -1.537 36.523 38.000 0.100 0.000 1.051 285 I HN 0.360 nan 8.210 nan 0.000 0.413 286 D N 0.917 121.312 120.400 -0.009 0.000 2.149 286 D HA -0.133 4.507 4.640 0.000 0.000 0.198 286 D C 2.104 178.369 176.300 -0.057 0.000 0.990 286 D CA 0.996 54.968 54.000 -0.047 0.000 0.839 286 D CB -0.240 40.517 40.800 -0.072 0.000 0.948 286 D HN 0.329 nan 8.370 nan 0.000 0.460 287 L N -0.425 120.771 121.223 -0.044 0.000 2.645 287 L HA 0.190 4.530 4.340 0.000 0.000 0.235 287 L C 1.163 178.014 176.870 -0.032 0.000 1.150 287 L CA 0.266 55.077 54.840 -0.047 0.000 0.911 287 L CB -0.331 41.694 42.059 -0.057 0.000 1.077 287 L HN 0.114 nan 8.230 nan 0.000 0.438 288 G N -0.813 107.982 108.800 -0.008 0.000 2.140 288 G HA2 -0.288 3.672 3.960 0.000 0.000 0.211 288 G HA3 -0.288 3.672 3.960 0.000 0.000 0.211 288 G C -0.399 174.522 174.900 0.035 0.000 1.013 288 G CA -0.389 44.704 45.100 -0.012 0.000 0.705 288 G HN 0.382 nan 8.290 nan 0.000 0.508 289 W N 2.228 123.462 121.300 -0.110 0.000 2.351 289 W HA 0.697 5.357 4.660 0.000 0.000 0.311 289 W C 0.124 176.596 176.519 -0.078 0.000 1.168 289 W CA -1.455 55.830 57.345 -0.100 0.000 1.200 289 W CB 0.814 30.208 29.460 -0.110 0.000 1.221 289 W HN -0.049 nan 8.180 nan 0.000 0.519 290 K N 8.592 128.514 120.400 -0.797 0.000 2.310 290 K HA 0.186 4.507 4.320 0.000 0.000 0.290 290 K C -2.316 173.476 176.600 -1.346 0.000 1.077 290 K CA -1.858 53.962 56.287 -0.779 0.000 0.922 290 K CB 0.174 32.403 32.500 -0.453 0.000 1.057 290 K HN 0.360 nan 8.250 nan 0.000 0.479 291 P HA 0.227 nan 4.420 nan 0.000 0.276 291 P C -0.199 176.610 177.300 -0.818 0.000 1.235 291 P CA -0.332 62.059 63.100 -1.181 0.000 0.772 291 P CB 0.831 31.931 31.700 -0.999 0.000 0.871 292 R N 1.689 121.881 120.500 -0.514 0.000 2.317 292 R HA 0.144 4.484 4.340 0.000 0.000 0.208 292 R C -0.100 176.078 176.300 -0.204 0.000 0.914 292 R CA -0.255 55.705 56.100 -0.234 0.000 1.060 292 R CB -1.008 29.267 30.300 -0.041 0.000 1.015 292 R HN 0.402 nan 8.270 nan 0.000 0.498 293 Y N -0.746 119.187 120.300 -0.611 0.000 2.980 293 Y HA -0.259 4.292 4.550 0.000 0.000 0.199 293 Y C 0.845 176.564 175.900 -0.301 0.000 1.319 293 Y CA 0.756 58.306 58.100 -0.917 0.000 0.877 293 Y CB -1.615 36.473 38.460 -0.620 0.000 1.259 293 Y HN 0.245 nan 8.280 nan 0.000 0.437 294 G N -0.090 108.777 108.800 0.112 0.000 2.816 294 G HA2 0.607 4.567 3.960 0.000 0.000 0.288 294 G HA3 0.607 4.567 3.960 0.000 0.000 0.288 294 G C 0.375 175.364 174.900 0.149 0.000 1.334 294 G CA -1.048 44.128 45.100 0.126 0.000 0.978 294 G HN 0.238 nan 8.290 nan 0.000 0.493 295 R N -1.359 119.083 120.500 -0.097 0.000 2.127 295 R HA 0.128 4.468 4.340 0.000 0.000 0.217 295 R C -0.109 175.828 176.300 -0.605 0.000 1.074 295 R CA 0.900 56.764 56.100 -0.393 0.000 0.991 295 R CB 0.007 29.857 30.300 -0.749 0.000 0.895 295 R HN 0.332 nan 8.270 nan 0.000 0.450 296 F N 0.895 120.811 119.950 -0.057 0.000 2.564 296 F HA 0.279 4.806 4.527 0.000 0.000 0.329 296 F C -0.852 174.899 175.800 -0.081 0.000 1.458 296 F CA -1.453 56.253 58.000 -0.489 0.000 1.117 296 F CB 0.578 39.133 39.000 -0.742 0.000 1.383 296 F HN -0.307 nan 8.300 nan 0.000 0.571 297 D N 1.557 122.142 120.400 0.309 0.000 2.317 297 D HA 0.233 4.873 4.640 0.000 0.000 0.234 297 D C 0.142 176.708 176.300 0.444 0.000 1.112 297 D CA -0.048 54.191 54.000 0.397 0.000 0.840 297 D CB 2.663 43.745 40.800 0.470 0.000 1.078 297 D HN -0.043 nan 8.370 nan 0.000 0.486 298 V N 3.799 123.939 119.914 0.377 0.000 2.540 298 V HA -0.026 4.094 4.120 0.000 0.000 0.297 298 V C 1.045 177.181 176.094 0.069 0.000 1.024 298 V CA -0.157 62.253 62.300 0.183 0.000 1.105 298 V CB 0.178 32.057 31.823 0.094 0.000 0.938 298 V HN 0.346 nan 8.190 nan 0.000 0.482 299 L N 8.483 129.647 121.223 -0.099 0.000 2.467 299 L HA 0.285 4.625 4.340 0.000 0.000 0.270 299 L C -1.628 175.060 176.870 -0.303 0.000 1.205 299 L CA -1.271 53.362 54.840 -0.345 0.000 0.828 299 L CB 0.630 42.569 42.059 -0.200 0.000 1.101 299 L HN 0.488 nan 8.230 nan 0.000 0.479 300 P HA 0.106 nan 4.420 nan 0.000 0.276 300 P C -0.951 176.299 177.300 -0.084 0.000 1.252 300 P CA -0.661 62.269 63.100 -0.284 0.000 0.802 300 P CB 1.058 32.463 31.700 -0.492 0.000 1.035 301 L N 1.857 123.112 121.223 0.053 0.000 2.349 301 L HA 0.199 4.539 4.340 0.000 0.000 0.275 301 L C 0.084 177.046 176.870 0.153 0.000 1.115 301 L CA -0.166 54.758 54.840 0.141 0.000 0.820 301 L CB 0.799 42.992 42.059 0.223 0.000 1.135 301 L HN 0.107 nan 8.230 nan 0.000 0.445 302 V N 5.857 125.876 119.914 0.176 0.000 2.304 302 V HA 0.390 4.510 4.120 0.000 0.000 0.278 302 V C -0.338 175.774 176.094 0.030 0.000 1.018 302 V CA -0.734 61.612 62.300 0.077 0.000 0.814 302 V CB 1.313 33.212 31.823 0.128 0.000 1.021 302 V HN 0.368 nan 8.190 nan 0.000 0.440 303 L N 4.248 125.478 121.223 0.013 0.000 2.331 303 L HA 0.625 4.966 4.340 0.000 0.000 0.275 303 L C -0.092 176.669 176.870 -0.182 0.000 1.022 303 L CA -0.295 54.519 54.840 -0.044 0.000 0.812 303 L CB 1.528 43.581 42.059 -0.009 0.000 1.257 303 L HN 0.689 nan 8.230 nan 0.000 0.435 304 Q N 1.680 121.375 119.800 -0.176 0.000 2.339 304 Q HA 0.708 5.048 4.340 0.000 0.000 0.268 304 Q C -1.314 174.539 176.000 -0.245 0.000 1.027 304 Q CA -0.509 55.155 55.803 -0.231 0.000 0.759 304 Q CB 1.943 30.590 28.738 -0.151 0.000 1.244 304 Q HN 0.819 nan 8.270 nan 0.000 0.464 305 A N 3.760 126.386 122.820 -0.324 0.000 2.312 305 A HA 0.481 4.801 4.320 0.000 0.000 0.326 305 A C 0.212 177.268 177.584 -0.880 0.000 1.172 305 A CA 0.215 51.859 52.037 -0.655 0.000 0.821 305 A CB 1.040 19.907 19.000 -0.220 0.000 1.166 305 A HN 1.089 nan 8.150 nan 0.000 0.493 306 D N 1.064 120.391 120.400 -1.789 0.000 4.597 306 D HA -0.270 4.370 4.640 0.000 0.000 0.241 306 D C 1.167 177.224 176.300 -0.406 0.000 0.587 306 D CA 4.035 57.554 54.000 -0.802 0.000 1.574 306 D CB -1.235 39.406 40.800 -0.265 0.000 0.966 306 D HN 1.203 nan 8.370 nan 0.000 0.383 307 G N -1.484 107.139 108.800 -0.294 0.000 3.584 307 G HA2 0.241 4.201 3.960 0.000 0.000 0.201 307 G HA3 0.241 4.201 3.960 0.000 0.000 0.201 307 G C -0.146 174.666 174.900 -0.146 0.000 1.176 307 G CA 0.120 45.081 45.100 -0.232 0.000 0.902 307 G HN 0.316 nan 8.290 nan 0.000 0.678 308 Q N 1.559 121.265 119.800 -0.155 0.000 2.584 308 Q HA 0.264 4.604 4.340 0.000 0.000 0.235 308 Q C -0.190 175.732 176.000 -0.131 0.000 1.079 308 Q CA 0.249 55.990 55.803 -0.103 0.000 0.977 308 Q CB 0.538 29.221 28.738 -0.091 0.000 1.293 308 Q HN 0.221 nan 8.270 nan 0.000 0.553 309 D N 2.507 122.845 120.400 -0.104 0.000 2.424 309 D HA 0.082 4.722 4.640 0.000 0.000 0.244 309 D C -2.069 174.032 176.300 -0.331 0.000 1.134 309 D CA -0.975 52.880 54.000 -0.241 0.000 0.881 309 D CB 0.050 40.880 40.800 0.051 0.000 1.191 309 D HN 0.310 nan 8.370 nan 0.000 0.445 310 P HA -0.025 nan 4.420 nan 0.000 0.264 310 P C -0.517 176.583 177.300 -0.334 0.000 1.183 310 P CA 0.336 63.047 63.100 -0.648 0.000 0.763 310 P CB 0.857 31.718 31.700 -1.397 0.000 0.807 311 E N 1.201 121.279 120.200 -0.203 0.000 2.171 311 E HA 0.335 4.685 4.350 0.000 0.000 0.271 311 E C -0.466 175.960 176.600 -0.291 0.000 0.916 311 E CA -1.173 55.092 56.400 -0.225 0.000 0.774 311 E CB 1.735 31.339 29.700 -0.161 0.000 1.128 311 E HN 0.191 nan 8.360 nan 0.000 0.403 312 V N 3.742 123.396 119.914 -0.433 0.000 2.583 312 V HA 0.265 4.385 4.120 0.000 0.000 0.287 312 V C -0.489 175.204 176.094 -0.667 0.000 1.051 312 V CA 0.060 62.150 62.300 -0.349 0.000 1.010 312 V CB -0.094 31.598 31.823 -0.218 0.000 0.988 312 V HN 0.516 nan 8.190 nan 0.000 0.478 313 F N 1.716 121.522 119.950 -0.240 0.000 2.585 313 F HA 0.404 4.931 4.527 0.000 0.000 0.319 313 F C 0.240 175.901 175.800 -0.232 0.000 1.165 313 F CA -0.763 56.980 58.000 -0.428 0.000 0.949 313 F CB 1.586 40.034 39.000 -0.921 0.000 1.218 313 F HN 0.353 nan 8.300 nan 0.000 0.453 314 E N 3.536 123.747 120.200 0.020 0.000 2.338 314 E HA 0.277 4.627 4.350 0.000 0.000 0.272 314 E C -0.145 176.595 176.600 0.234 0.000 1.029 314 E CA -0.119 56.364 56.400 0.138 0.000 0.872 314 E CB 1.447 31.245 29.700 0.165 0.000 1.015 314 E HN 0.529 nan 8.360 nan 0.000 0.417 315 I N 5.340 126.048 120.570 0.230 0.000 2.396 315 I HA 0.082 4.252 4.170 0.000 0.000 0.289 315 I C -1.952 174.285 176.117 0.199 0.000 1.056 315 I CA -1.864 59.592 61.300 0.261 0.000 1.365 315 I CB 0.522 38.607 38.000 0.141 0.000 1.407 315 I HN 0.087 nan 8.210 nan 0.000 0.509 316 P HA -0.012 nan 4.420 nan 0.000 0.256 316 P C -1.989 175.370 177.300 0.099 0.000 1.173 316 P CA -0.617 62.569 63.100 0.143 0.000 0.768 316 P CB 0.092 31.861 31.700 0.114 0.000 0.758 317 P HA -0.221 nan 4.420 nan 0.000 0.217 317 P C 0.848 178.186 177.300 0.064 0.000 1.151 317 P CA 1.427 64.578 63.100 0.085 0.000 0.849 317 P CB -0.058 31.695 31.700 0.089 0.000 0.787 318 D N -1.150 119.283 120.400 0.055 0.000 2.354 318 D HA -0.082 4.559 4.640 0.000 0.000 0.216 318 D C 1.472 177.791 176.300 0.032 0.000 0.970 318 D CA 0.905 54.929 54.000 0.040 0.000 0.905 318 D CB -0.093 40.727 40.800 0.034 0.000 0.903 318 D HN 0.300 nan 8.370 nan 0.000 0.508 319 L N 0.165 121.409 121.223 0.034 0.000 2.640 319 L HA 0.109 4.449 4.340 0.000 0.000 0.230 319 L C 0.236 177.123 176.870 0.027 0.000 1.123 319 L CA 0.026 54.879 54.840 0.023 0.000 0.900 319 L CB 1.003 43.067 42.059 0.009 0.000 1.146 319 L HN -0.256 nan 8.230 nan 0.000 0.484 320 V N 1.977 121.913 119.914 0.036 0.000 2.277 320 V HA 0.196 4.316 4.120 0.000 0.000 0.269 320 V C -0.053 176.071 176.094 0.049 0.000 1.036 320 V CA -0.553 61.769 62.300 0.036 0.000 0.821 320 V CB 1.464 33.307 31.823 0.032 0.000 1.052 320 V HN 0.052 nan 8.190 nan 0.000 0.462 321 L N 5.259 126.511 121.223 0.049 0.000 2.367 321 L HA 0.483 4.823 4.340 0.000 0.000 0.275 321 L C 0.132 177.026 176.870 0.039 0.000 1.129 321 L CA 0.846 55.706 54.840 0.033 0.000 0.839 321 L CB 0.519 42.592 42.059 0.023 0.000 1.133 321 L HN 0.661 nan 8.230 nan 0.000 0.453 322 E N 3.062 123.265 120.200 0.004 0.000 2.359 322 E HA 0.621 4.971 4.350 0.000 0.000 0.266 322 E C -1.506 175.023 176.600 -0.118 0.000 0.920 322 E CA -1.051 55.342 56.400 -0.012 0.000 0.788 322 E CB 2.461 32.187 29.700 0.043 0.000 1.279 322 E HN 0.386 nan 8.360 nan 0.000 0.438 323 V N 1.614 121.416 119.914 -0.187 0.000 2.487 323 V HA 0.288 4.408 4.120 0.000 0.000 0.298 323 V C -0.299 175.726 176.094 -0.114 0.000 1.028 323 V CA -0.768 61.366 62.300 -0.278 0.000 0.860 323 V CB 1.737 33.136 31.823 -0.707 0.000 0.991 323 V HN 0.828 nan 8.190 nan 0.000 0.427 324 T N 3.763 118.274 114.554 -0.071 0.000 2.817 324 T HA 0.536 4.886 4.350 0.000 0.000 0.293 324 T C -0.133 174.598 174.700 0.052 0.000 0.964 324 T CA -0.789 61.312 62.100 0.001 0.000 1.085 324 T CB 0.825 69.699 68.868 0.010 0.000 0.921 324 T HN 0.303 nan 8.240 nan 0.000 0.502 325 M N 3.907 123.589 119.600 0.138 0.000 2.185 325 M HA 0.351 4.831 4.480 0.000 0.000 0.357 325 M C 0.393 176.879 176.300 0.311 0.000 1.260 325 M CA -0.148 55.303 55.300 0.252 0.000 1.124 325 M CB -0.077 32.774 32.600 0.418 0.000 1.600 325 M HN 0.955 nan 8.290 nan 0.000 0.467 326 E N 1.369 121.723 120.200 0.257 0.000 2.372 326 E HA 0.386 4.736 4.350 0.000 0.000 0.279 326 E C -1.380 175.306 176.600 0.143 0.000 0.946 326 E CA -0.878 55.686 56.400 0.273 0.000 0.769 326 E CB 1.885 31.691 29.700 0.177 0.000 1.230 326 E HN 0.632 nan 8.360 nan 0.000 0.442 327 H N 2.849 121.890 119.070 -0.047 0.000 2.472 327 H HA 0.244 4.800 4.556 0.000 0.000 0.335 327 H C -1.734 173.450 175.328 -0.239 0.000 1.136 327 H CA -2.184 53.705 56.048 -0.266 0.000 1.264 327 H CB 1.946 31.466 29.762 -0.404 0.000 1.486 327 H HN 0.447 nan 8.280 nan 0.000 0.517 328 P HA -0.027 nan 4.420 nan 0.000 0.237 328 P C 0.373 177.547 177.300 -0.210 0.000 1.178 328 P CA 0.748 63.498 63.100 -0.584 0.000 0.766 328 P CB 0.812 31.890 31.700 -1.036 0.000 0.876 329 K N -1.414 119.007 120.400 0.035 0.000 2.485 329 K HA 0.143 4.463 4.320 0.000 0.000 0.200 329 K C 0.403 176.850 176.600 -0.255 0.000 1.344 329 K CA 0.461 56.633 56.287 -0.191 0.000 0.948 329 K CB -0.315 31.943 32.500 -0.403 0.000 1.454 329 K HN 0.112 nan 8.250 nan 0.000 0.502 330 Y N 3.167 123.275 120.300 -0.321 0.000 2.452 330 Y HA 0.159 4.709 4.550 0.000 0.000 0.348 330 Y C 1.357 176.967 175.900 -0.483 0.000 0.985 330 Y CA -0.569 57.138 58.100 -0.656 0.000 1.214 330 Y CB 0.629 38.189 38.460 -1.501 0.000 1.136 330 Y HN -0.032 nan 8.280 nan 0.000 0.523 331 E N 3.277 123.433 120.200 -0.072 0.000 2.347 331 E HA -0.137 4.213 4.350 0.000 0.000 0.196 331 E C 1.713 178.368 176.600 0.092 0.000 1.008 331 E CA 0.589 57.012 56.400 0.038 0.000 0.852 331 E CB -0.135 29.625 29.700 0.101 0.000 0.783 331 E HN 0.912 nan 8.360 nan 0.000 0.505 332 W N -0.818 120.582 121.300 0.166 0.000 2.800 332 W HA 0.019 4.679 4.660 0.000 0.000 0.249 332 W C 1.473 178.048 176.519 0.095 0.000 1.294 332 W CA -0.296 57.104 57.345 0.092 0.000 1.402 332 W CB -1.131 28.346 29.460 0.028 0.000 1.126 332 W HN -0.096 nan 8.180 nan 0.000 0.652 333 F N 2.662 122.422 119.950 -0.316 0.000 2.126 333 F HA -0.249 4.278 4.527 0.000 0.000 0.299 333 F C 2.958 178.785 175.800 0.046 0.000 1.096 333 F CA 2.774 60.660 58.000 -0.190 0.000 1.255 333 F CB -0.621 38.214 39.000 -0.275 0.000 0.997 333 F HN -0.093 nan 8.300 nan 0.000 0.479 334 Q N 0.258 120.164 119.800 0.177 0.000 2.135 334 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 334 Q C 1.900 177.944 176.000 0.073 0.000 0.981 334 Q CA 1.936 57.822 55.803 0.138 0.000 0.856 334 Q CB -0.226 28.592 28.738 0.134 0.000 0.902 334 Q HN 0.527 nan 8.270 nan 0.000 0.425 335 E N -0.250 120.008 120.200 0.096 0.000 2.396 335 E HA -0.179 4.171 4.350 0.000 0.000 0.200 335 E C 1.385 178.002 176.600 0.028 0.000 1.023 335 E CA 0.385 56.836 56.400 0.084 0.000 0.857 335 E CB 0.097 29.879 29.700 0.136 0.000 0.775 335 E HN 0.293 nan 8.360 nan 0.000 0.525 336 L N -0.498 120.694 121.223 -0.052 0.000 2.395 336 L HA 0.065 4.405 4.340 0.000 0.000 0.218 336 L C 1.515 178.361 176.870 -0.040 0.000 1.130 336 L CA 1.080 55.850 54.840 -0.117 0.000 0.826 336 L CB -0.569 41.270 42.059 -0.367 0.000 0.941 336 L HN 0.176 nan 8.230 nan 0.000 0.451 337 G N 0.115 108.923 108.800 0.013 0.000 2.273 337 G HA2 -0.285 3.675 3.960 0.000 0.000 0.280 337 G HA3 -0.285 3.675 3.960 0.000 0.000 0.280 337 G C 0.193 175.216 174.900 0.204 0.000 1.047 337 G CA 0.201 45.362 45.100 0.102 0.000 0.869 337 G HN 0.279 nan 8.290 nan 0.000 0.502 338 L N -0.621 120.661 121.223 0.098 0.000 2.360 338 L HA 0.799 5.139 4.340 0.000 0.000 0.271 338 L C 0.648 177.531 176.870 0.021 0.000 1.057 338 L CA -0.504 54.391 54.840 0.092 0.000 0.803 338 L CB 1.676 43.617 42.059 -0.196 0.000 1.207 338 L HN 0.549 nan 8.230 nan 0.000 0.445 339 K N 0.998 121.273 120.400 -0.209 0.000 2.615 339 K HA 0.475 4.795 4.320 0.000 0.000 0.291 339 K C -2.084 174.497 176.600 -0.032 0.000 1.017 339 K CA -1.065 55.134 56.287 -0.147 0.000 0.882 339 K CB 2.072 34.418 32.500 -0.257 0.000 1.522 339 K HN 0.571 nan 8.250 nan 0.000 0.412 340 W N 1.757 122.971 121.300 -0.144 0.000 3.137 340 W HA 0.341 5.001 4.660 0.000 0.000 0.324 340 W C -1.307 175.190 176.519 -0.037 0.000 1.253 340 W CA -0.802 56.498 57.345 -0.076 0.000 1.183 340 W CB 1.655 30.944 29.460 -0.284 0.000 1.424 340 W HN 0.684 nan 8.180 nan 0.000 0.566 341 Y N 0.936 121.083 120.300 -0.256 0.000 2.336 341 Y HA 0.524 5.074 4.550 0.000 0.000 0.331 341 Y C 0.768 176.803 175.900 0.225 0.000 1.211 341 Y CA -0.077 57.965 58.100 -0.096 0.000 1.346 341 Y CB 0.196 38.486 38.460 -0.284 0.000 1.271 341 Y HN 0.345 nan 8.280 nan 0.000 0.538 342 A N 2.625 125.615 122.820 0.284 0.000 2.123 342 A HA 0.128 4.448 4.320 0.000 0.000 0.214 342 A C 0.315 178.197 177.584 0.498 0.000 1.152 342 A CA 0.152 52.425 52.037 0.393 0.000 0.728 342 A CB -0.294 18.798 19.000 0.153 0.000 0.814 342 A HN 0.674 nan 8.150 nan 0.000 0.464 343 L N 1.669 123.156 121.223 0.439 0.000 2.280 343 L HA 0.482 4.822 4.340 0.000 0.000 0.287 343 L C -2.680 174.368 176.870 0.297 0.000 1.023 343 L CA -2.111 52.915 54.840 0.310 0.000 0.819 343 L CB 1.823 43.998 42.059 0.192 0.000 1.212 343 L HN -0.072 nan 8.230 nan 0.000 0.420 344 P HA 0.462 nan 4.420 nan 0.000 0.295 344 P C -1.667 175.559 177.300 -0.123 0.000 1.397 344 P CA -0.391 62.589 63.100 -0.200 0.000 0.903 344 P CB 1.552 32.738 31.700 -0.856 0.000 1.028 345 A N 4.078 126.840 122.820 -0.097 0.000 2.375 345 A HA 0.483 4.803 4.320 0.000 0.000 0.295 345 A C -0.443 176.970 177.584 -0.286 0.000 1.066 345 A CA -0.669 51.258 52.037 -0.184 0.000 0.722 345 A CB 1.354 20.242 19.000 -0.186 0.000 1.206 345 A HN 0.271 nan 8.150 nan 0.000 0.435 346 V N 1.904 121.529 119.914 -0.481 0.000 2.637 346 V HA 0.387 4.507 4.120 0.000 0.000 0.296 346 V C 1.226 176.956 176.094 -0.606 0.000 1.046 346 V CA 1.097 63.031 62.300 -0.610 0.000 1.066 346 V CB 1.208 32.422 31.823 -1.015 0.000 0.968 346 V HN 1.216 nan 8.190 nan 0.000 0.483 347 A N 3.753 126.357 122.820 -0.361 0.000 2.287 347 A HA 0.153 4.473 4.320 0.000 0.000 0.214 347 A C 1.223 178.729 177.584 -0.131 0.000 1.228 347 A CA 0.389 52.287 52.037 -0.232 0.000 0.939 347 A CB -0.052 18.856 19.000 -0.152 0.000 0.992 347 A HN 0.925 nan 8.150 nan 0.000 0.502 348 N N -1.321 117.302 118.700 -0.127 0.000 2.204 348 N HA 0.307 5.047 4.740 0.000 0.000 0.219 348 N C 0.265 175.788 175.510 0.022 0.000 1.151 348 N CA -0.261 52.766 53.050 -0.038 0.000 0.867 348 N CB 0.201 38.660 38.487 -0.046 0.000 1.043 348 N HN 0.291 nan 8.380 nan 0.000 0.516 349 M N 1.073 120.682 119.600 0.016 0.000 2.369 349 M HA 0.379 4.859 4.480 0.000 0.000 0.291 349 M C -0.567 175.870 176.300 0.228 0.000 1.178 349 M CA -0.787 54.605 55.300 0.152 0.000 0.996 349 M CB 1.732 34.445 32.600 0.188 0.000 1.472 349 M HN 0.115 nan 8.290 nan 0.000 0.496 350 L N 1.755 123.158 121.223 0.300 0.000 2.362 350 L HA 0.550 4.890 4.340 0.000 0.000 0.275 350 L C -1.614 175.478 176.870 0.370 0.000 0.998 350 L CA -1.038 53.988 54.840 0.311 0.000 0.820 350 L CB 1.577 43.774 42.059 0.229 0.000 1.270 350 L HN 0.557 nan 8.230 nan 0.000 0.415 351 L N 5.006 126.446 121.223 0.362 0.000 2.260 351 L HA 0.454 4.794 4.340 0.000 0.000 0.289 351 L C -0.374 176.651 176.870 0.257 0.000 1.057 351 L CA 0.393 55.367 54.840 0.223 0.000 0.811 351 L CB 0.936 43.095 42.059 0.165 0.000 1.184 351 L HN 0.647 nan 8.230 nan 0.000 0.429 352 E N 5.101 125.394 120.200 0.155 0.000 2.166 352 E HA 0.527 4.877 4.350 0.000 0.000 0.275 352 E C -1.888 174.719 176.600 0.011 0.000 0.941 352 E CA -0.428 56.047 56.400 0.125 0.000 0.784 352 E CB 1.866 31.695 29.700 0.215 0.000 1.115 352 E HN 0.510 nan 8.360 nan 0.000 0.399 353 V N 3.101 122.988 119.914 -0.045 0.000 2.852 353 V HA 0.475 4.595 4.120 0.000 0.000 0.300 353 V C 0.261 176.229 176.094 -0.209 0.000 1.205 353 V CA 0.412 62.570 62.300 -0.236 0.000 0.940 353 V CB 1.430 32.987 31.823 -0.443 0.000 1.047 353 V HN 0.880 nan 8.190 nan 0.000 0.429 354 G N 4.307 113.027 108.800 -0.133 0.000 2.422 354 G HA2 0.083 4.043 3.960 0.000 0.000 0.301 354 G HA3 0.083 4.043 3.960 0.000 0.000 0.301 354 G C 1.596 176.658 174.900 0.270 0.000 0.981 354 G CA 1.506 46.720 45.100 0.190 0.000 0.994 354 G HN 2.762 nan 8.290 nan 0.000 0.514 355 G N -2.101 106.787 108.800 0.146 0.000 2.225 355 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 355 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 355 G C 0.546 175.504 174.900 0.096 0.000 0.988 355 G CA 0.596 45.819 45.100 0.205 0.000 0.625 355 G HN 1.233 nan 8.290 nan 0.000 0.527 356 L N 0.398 121.629 121.223 0.014 0.000 2.421 356 L HA 0.693 5.034 4.340 0.000 0.000 0.263 356 L C 0.391 177.143 176.870 -0.197 0.000 1.122 356 L CA -0.519 54.224 54.840 -0.162 0.000 0.804 356 L CB 1.120 43.003 42.059 -0.292 0.000 1.150 356 L HN 0.181 nan 8.230 nan 0.000 0.457 357 E N 1.451 121.435 120.200 -0.359 0.000 2.246 357 E HA 0.371 4.721 4.350 0.000 0.000 0.266 357 E C -1.642 174.710 176.600 -0.414 0.000 0.880 357 E CA -0.410 55.848 56.400 -0.236 0.000 0.762 357 E CB 2.019 31.648 29.700 -0.118 0.000 1.180 357 E HN 0.254 nan 8.360 nan 0.000 0.416 358 F N 3.734 123.708 119.950 0.039 0.000 2.359 358 F HA 0.263 4.790 4.527 0.000 0.000 0.370 358 F C -1.486 174.387 175.800 0.122 0.000 1.077 358 F CA -2.027 56.018 58.000 0.074 0.000 1.136 358 F CB 1.282 40.316 39.000 0.058 0.000 1.387 358 F HN 0.327 nan 8.300 nan 0.000 0.468 359 P HA -0.042 nan 4.420 nan 0.000 0.239 359 P C -0.048 177.392 177.300 0.233 0.000 1.184 359 P CA 0.644 63.860 63.100 0.195 0.000 0.760 359 P CB 0.423 32.205 31.700 0.137 0.000 0.884 360 A N 0.199 123.209 122.820 0.317 0.000 2.446 360 A HA 0.549 4.869 4.320 0.000 0.000 0.282 360 A C -0.285 177.551 177.584 0.420 0.000 1.102 360 A CA -0.408 51.840 52.037 0.352 0.000 0.737 360 A CB 0.403 19.622 19.000 0.365 0.000 1.212 360 A HN 0.264 nan 8.150 nan 0.000 0.434 361 C N 0.886 120.365 119.300 0.299 0.000 2.993 361 C HA 0.468 4.928 4.460 0.000 0.000 0.298 361 C C -2.971 172.086 174.990 0.111 0.000 0.906 361 C CA -1.349 57.789 59.018 0.201 0.000 1.090 361 C CB -0.332 27.536 27.740 0.214 0.000 1.656 361 C HN 0.587 nan 8.230 nan 0.000 0.648 362 P HA 0.416 nan 4.420 nan 0.000 0.268 362 P C -0.616 176.617 177.300 -0.112 0.000 1.205 362 P CA 0.870 63.842 63.100 -0.213 0.000 0.771 362 P CB 0.609 32.201 31.700 -0.181 0.000 0.858 363 F N -0.198 119.668 119.950 -0.140 0.000 2.645 363 F HA 0.674 5.201 4.527 0.000 0.000 0.310 363 F C -0.874 174.819 175.800 -0.179 0.000 1.102 363 F CA -1.238 56.689 58.000 -0.121 0.000 0.952 363 F CB 1.511 40.309 39.000 -0.338 0.000 1.326 363 F HN 0.367 nan 8.300 nan 0.000 0.456 364 N N -0.177 118.617 118.700 0.156 0.000 2.494 364 N HA 0.731 5.471 4.740 0.000 0.000 0.270 364 N C -1.184 174.245 175.510 -0.134 0.000 1.285 364 N CA -0.337 52.721 53.050 0.014 0.000 0.812 364 N CB 1.914 40.457 38.487 0.093 0.000 1.557 364 N HN 1.071 nan 8.380 nan 0.000 0.487 365 G N -0.834 107.849 108.800 -0.195 0.000 3.291 365 G HA2 0.690 4.651 3.960 0.000 0.000 0.173 365 G HA3 0.690 4.651 3.960 0.000 0.000 0.173 365 G C -1.635 173.209 174.900 -0.094 0.000 1.099 365 G CA -0.564 44.335 45.100 -0.335 0.000 0.794 365 G HN 0.710 nan 8.290 nan 0.000 0.651 366 W N -1.913 119.351 121.300 -0.060 0.000 3.040 366 W HA 0.817 5.477 4.660 0.000 0.000 0.344 366 W C -1.627 174.833 176.519 -0.098 0.000 1.201 366 W CA -2.225 55.096 57.345 -0.040 0.000 1.119 366 W CB 0.328 29.811 29.460 0.038 0.000 1.478 366 W HN 0.394 nan 8.180 nan 0.000 0.586 367 Y N 2.089 122.562 120.300 0.288 0.000 2.326 367 Y HA 0.363 4.913 4.550 0.000 0.000 0.333 367 Y C 0.609 176.521 175.900 0.021 0.000 1.240 367 Y CA -0.668 57.458 58.100 0.044 0.000 1.365 367 Y CB 1.324 39.680 38.460 -0.173 0.000 1.289 367 Y HN 0.400 nan 8.280 nan 0.000 0.548 368 M N 2.267 121.978 119.600 0.185 0.000 2.114 368 M HA 0.358 4.838 4.480 0.000 0.000 0.332 368 M C 1.036 177.289 176.300 -0.079 0.000 1.014 368 M CA -0.188 55.145 55.300 0.055 0.000 0.956 368 M CB 1.213 33.831 32.600 0.030 0.000 1.551 368 M HN 0.854 nan 8.290 nan 0.000 0.427 369 G N 1.887 110.588 108.800 -0.165 0.000 2.597 369 G HA2 -0.359 3.601 3.960 0.000 0.000 0.222 369 G HA3 -0.359 3.601 3.960 0.000 0.000 0.222 369 G C 1.164 175.880 174.900 -0.307 0.000 1.135 369 G CA 1.996 46.928 45.100 -0.280 0.000 0.759 369 G HN 0.866 nan 8.290 nan 0.000 0.595 370 T N -1.068 113.319 114.554 -0.279 0.000 2.881 370 T HA -0.038 4.312 4.350 0.000 0.000 0.270 370 T C 1.927 176.435 174.700 -0.319 0.000 1.068 370 T CA 1.653 63.546 62.100 -0.345 0.000 1.131 370 T CB -0.286 68.315 68.868 -0.444 0.000 0.871 370 T HN 0.560 nan 8.240 nan 0.000 0.479 371 E N 0.965 121.003 120.200 -0.271 0.000 2.038 371 E HA -0.079 4.271 4.350 0.000 0.000 0.195 371 E C 2.142 178.461 176.600 -0.468 0.000 1.000 371 E CA 1.591 57.845 56.400 -0.243 0.000 0.803 371 E CB -0.318 29.388 29.700 0.009 0.000 0.750 371 E HN 0.565 nan 8.360 nan 0.000 0.448 372 I N 0.522 120.652 120.570 -0.732 0.000 2.235 372 I HA -0.102 4.068 4.170 0.000 0.000 0.241 372 I C 2.606 178.121 176.117 -1.002 0.000 1.085 372 I CA 1.040 61.609 61.300 -1.218 0.000 1.378 372 I CB -0.482 36.678 38.000 -1.399 0.000 1.076 372 I HN 0.131 nan 8.210 nan 0.000 0.415 373 G N 0.364 108.822 108.800 -0.570 0.000 2.418 373 G HA2 -0.156 3.804 3.960 0.000 0.000 0.217 373 G HA3 -0.156 3.804 3.960 0.000 0.000 0.217 373 G C 1.610 176.440 174.900 -0.116 0.000 1.158 373 G CA 1.152 46.118 45.100 -0.222 0.000 0.771 373 G HN 0.236 nan 8.290 nan 0.000 0.545 374 V N 0.229 120.021 119.914 -0.203 0.000 2.403 374 V HA 0.058 4.178 4.120 0.000 0.000 0.239 374 V C 2.831 178.852 176.094 -0.121 0.000 1.041 374 V CA 1.028 63.244 62.300 -0.140 0.000 1.051 374 V CB -0.299 31.409 31.823 -0.192 0.000 0.704 374 V HN 0.122 nan 8.190 nan 0.000 0.472 375 R N 0.792 121.179 120.500 -0.189 0.000 2.060 375 R HA -0.062 4.279 4.340 0.000 0.000 0.225 375 R C 2.006 178.240 176.300 -0.109 0.000 1.155 375 R CA 1.641 57.654 56.100 -0.144 0.000 0.930 375 R CB -1.308 28.886 30.300 -0.176 0.000 0.829 375 R HN 0.454 nan 8.270 nan 0.000 0.433 376 D N 0.471 120.700 120.400 -0.285 0.000 2.116 376 D HA -0.156 4.484 4.640 0.000 0.000 0.193 376 D C 1.868 178.180 176.300 0.019 0.000 0.998 376 D CA 1.265 55.072 54.000 -0.322 0.000 0.836 376 D CB -0.226 39.838 40.800 -1.228 0.000 0.951 376 D HN 0.118 nan 8.370 nan 0.000 0.449 377 F N -0.118 119.751 119.950 -0.134 0.000 2.387 377 F HA 0.070 4.597 4.527 0.000 0.000 0.294 377 F C 2.260 178.119 175.800 0.098 0.000 1.093 377 F CA -0.231 57.786 58.000 0.028 0.000 1.420 377 F CB -0.477 38.517 39.000 -0.008 0.000 1.086 377 F HN 0.035 nan 8.300 nan 0.000 0.531 378 C N -1.336 118.097 119.300 0.222 0.000 3.070 378 C HA 0.219 4.679 4.460 0.000 0.000 0.280 378 C C 0.462 175.517 174.990 0.108 0.000 1.264 378 C CA -0.738 58.371 59.018 0.152 0.000 1.690 378 C CB -0.536 27.260 27.740 0.093 0.000 2.049 378 C HN 0.054 nan 8.230 nan 0.000 0.636 379 D N 2.046 122.505 120.400 0.099 0.000 2.455 379 D HA 0.064 4.704 4.640 0.000 0.000 0.241 379 D C 1.558 177.927 176.300 0.114 0.000 1.138 379 D CA 0.547 54.597 54.000 0.084 0.000 0.877 379 D CB 1.153 42.003 40.800 0.083 0.000 1.187 379 D HN 0.424 nan 8.370 nan 0.000 0.451 380 T N -0.341 114.270 114.554 0.095 0.000 2.867 380 T HA -0.224 4.126 4.350 0.000 0.000 0.268 380 T C 1.339 176.098 174.700 0.098 0.000 1.057 380 T CA 0.775 62.934 62.100 0.097 0.000 1.136 380 T CB -0.016 68.901 68.868 0.083 0.000 0.874 380 T HN 0.475 nan 8.240 nan 0.000 0.466 381 Q N 0.765 120.628 119.800 0.105 0.000 2.365 381 Q HA 0.163 4.504 4.340 0.000 0.000 0.203 381 Q C 0.776 176.846 176.000 0.115 0.000 0.929 381 Q CA -0.042 55.823 55.803 0.104 0.000 0.948 381 Q CB 0.111 28.922 28.738 0.120 0.000 1.043 381 Q HN 0.375 nan 8.270 nan 0.000 0.505 382 R N -0.386 120.198 120.500 0.140 0.000 3.006 382 R HA 0.255 4.595 4.340 0.000 0.000 0.150 382 R C 1.269 177.659 176.300 0.149 0.000 1.285 382 R CA -0.499 55.718 56.100 0.194 0.000 0.813 382 R CB -1.054 29.426 30.300 0.299 0.000 1.582 382 R HN 0.063 nan 8.270 nan 0.000 0.441 383 Y N 1.544 122.012 120.300 0.279 0.000 2.571 383 Y HA -0.069 4.481 4.550 0.000 0.000 0.294 383 Y C 0.673 176.685 175.900 0.187 0.000 1.141 383 Y CA 0.699 58.966 58.100 0.278 0.000 1.308 383 Y CB -0.604 38.118 38.460 0.437 0.000 1.002 383 Y HN 0.517 nan 8.280 nan 0.000 0.551 384 N N 1.178 120.044 118.700 0.278 0.000 2.696 384 N HA -0.239 4.501 4.740 0.000 0.000 0.271 384 N C 0.475 176.090 175.510 0.174 0.000 0.997 384 N CA 0.782 53.947 53.050 0.193 0.000 0.801 384 N CB -1.129 37.439 38.487 0.135 0.000 0.913 384 N HN 0.663 nan 8.380 nan 0.000 0.557 385 I N -2.742 117.941 120.570 0.188 0.000 3.812 385 I HA 0.071 4.241 4.170 0.000 0.000 0.320 385 I C 1.515 177.725 176.117 0.156 0.000 1.276 385 I CA -0.381 60.998 61.300 0.131 0.000 1.164 385 I CB -0.155 37.879 38.000 0.055 0.000 1.009 385 I HN 0.253 nan 8.210 nan 0.000 0.431 386 L N 1.521 122.859 121.223 0.192 0.000 1.971 386 L HA -0.240 4.100 4.340 0.000 0.000 0.215 386 L C 2.717 179.804 176.870 0.361 0.000 1.072 386 L CA 2.373 57.364 54.840 0.252 0.000 0.758 386 L CB -0.397 41.782 42.059 0.200 0.000 0.889 386 L HN 0.485 nan 8.230 nan 0.000 0.433 387 E N -0.196 120.195 120.200 0.318 0.000 2.085 387 E HA -0.315 4.035 4.350 0.000 0.000 0.194 387 E C 1.955 178.561 176.600 0.010 0.000 0.994 387 E CA 1.550 58.048 56.400 0.163 0.000 0.801 387 E CB 0.077 29.819 29.700 0.071 0.000 0.743 387 E HN 0.347 nan 8.360 nan 0.000 0.453 388 E N 0.142 120.361 120.200 0.032 0.000 2.077 388 E HA -0.154 4.196 4.350 0.000 0.000 0.193 388 E C 1.936 178.510 176.600 -0.044 0.000 0.989 388 E CA 1.537 57.918 56.400 -0.032 0.000 0.800 388 E CB -0.157 29.535 29.700 -0.013 0.000 0.746 388 E HN 0.196 nan 8.360 nan 0.000 0.452 389 V N 0.089 120.049 119.914 0.078 0.000 2.548 389 V HA -0.074 4.046 4.120 0.000 0.000 0.249 389 V C 2.289 178.446 176.094 0.105 0.000 1.055 389 V CA 1.623 64.026 62.300 0.172 0.000 1.065 389 V CB -0.976 31.046 31.823 0.332 0.000 0.681 389 V HN 0.458 nan 8.190 nan 0.000 0.462 390 G N 0.159 109.039 108.800 0.132 0.000 2.421 390 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 390 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 390 G C 1.767 176.566 174.900 -0.168 0.000 1.171 390 G CA 0.672 45.820 45.100 0.081 0.000 0.775 390 G HN 0.420 nan 8.290 nan 0.000 0.543 391 R N -0.027 120.318 120.500 -0.260 0.000 2.081 391 R HA 0.026 4.366 4.340 0.000 0.000 0.235 391 R C 2.677 178.756 176.300 -0.367 0.000 1.131 391 R CA 1.015 56.929 56.100 -0.309 0.000 0.960 391 R CB -0.224 29.908 30.300 -0.279 0.000 0.856 391 R HN 0.240 nan 8.270 nan 0.000 0.436 392 R N -0.082 120.116 120.500 -0.504 0.000 2.280 392 R HA 0.022 4.362 4.340 0.000 0.000 0.207 392 R C 1.685 177.467 176.300 -0.864 0.000 1.043 392 R CA 0.780 56.319 56.100 -0.935 0.000 1.006 392 R CB 0.025 29.315 30.300 -1.684 0.000 0.885 392 R HN 0.276 nan 8.270 nan 0.000 0.467 393 M N -0.632 118.710 119.600 -0.429 0.000 2.441 393 M HA 0.141 4.621 4.480 0.000 0.000 0.244 393 M C 0.543 176.756 176.300 -0.145 0.000 1.122 393 M CA 0.262 55.434 55.300 -0.215 0.000 1.041 393 M CB 0.919 33.500 32.600 -0.032 0.000 1.438 393 M HN 0.312 nan 8.290 nan 0.000 0.484 394 G N 2.355 111.036 108.800 -0.199 0.000 2.272 394 G HA2 -0.229 3.731 3.960 0.000 0.000 0.280 394 G HA3 -0.229 3.731 3.960 0.000 0.000 0.280 394 G C -0.253 174.584 174.900 -0.105 0.000 1.067 394 G CA -0.025 44.984 45.100 -0.151 0.000 0.902 394 G HN 0.402 nan 8.290 nan 0.000 0.500 395 L N -1.384 119.765 121.223 -0.123 0.000 2.376 395 L HA 0.538 4.878 4.340 0.000 0.000 0.267 395 L C 0.847 177.596 176.870 -0.202 0.000 1.035 395 L CA -1.080 53.712 54.840 -0.080 0.000 0.800 395 L CB 0.827 42.913 42.059 0.046 0.000 1.290 395 L HN 0.152 nan 8.230 nan 0.000 0.462 396 E N -0.083 120.032 120.200 -0.143 0.000 1.972 396 E HA 0.044 4.394 4.350 0.000 0.000 0.292 396 E C 0.357 176.655 176.600 -0.504 0.000 1.193 396 E CA -0.146 56.130 56.400 -0.206 0.000 1.228 396 E CB 0.001 29.679 29.700 -0.035 0.000 1.167 396 E HN 0.509 nan 8.360 nan 0.000 0.479 397 T N 0.623 114.606 114.554 -0.952 0.000 3.052 397 T HA -0.139 4.211 4.350 0.000 0.000 0.270 397 T C 0.923 175.028 174.700 -0.993 0.000 1.147 397 T CA 0.921 62.019 62.100 -1.670 0.000 1.089 397 T CB -0.145 67.825 68.868 -1.497 0.000 0.875 397 T HN 0.474 nan 8.240 nan 0.000 0.541 398 H N 0.167 119.050 119.070 -0.312 0.000 2.648 398 H HA 0.205 4.761 4.556 0.000 0.000 0.265 398 H C 0.477 175.810 175.328 0.008 0.000 0.961 398 H CA 0.304 56.287 56.048 -0.108 0.000 1.185 398 H CB 0.479 30.185 29.762 -0.094 0.000 1.449 398 H HN 0.203 nan 8.280 nan 0.000 0.523 399 T N 2.772 117.395 114.554 0.114 0.000 2.947 399 T HA 0.092 4.442 4.350 0.000 0.000 0.337 399 T C 1.300 176.171 174.700 0.284 0.000 1.139 399 T CA -0.291 61.908 62.100 0.166 0.000 0.992 399 T CB 1.303 70.243 68.868 0.120 0.000 1.043 399 T HN -0.026 nan 8.240 nan 0.000 0.498 400 L N 3.512 124.898 121.223 0.271 0.000 2.042 400 L HA -0.053 4.287 4.340 0.000 0.000 0.210 400 L C 2.473 179.434 176.870 0.152 0.000 1.076 400 L CA 1.871 56.863 54.840 0.254 0.000 0.749 400 L CB -0.741 41.414 42.059 0.160 0.000 0.893 400 L HN 0.725 nan 8.230 nan 0.000 0.432 401 A N -1.501 121.393 122.820 0.124 0.000 2.178 401 A HA -0.150 4.170 4.320 0.000 0.000 0.218 401 A C 2.341 179.980 177.584 0.092 0.000 1.157 401 A CA 1.377 53.464 52.037 0.084 0.000 0.689 401 A CB -0.845 18.197 19.000 0.070 0.000 0.787 401 A HN 0.626 nan 8.150 nan 0.000 0.465 402 S N -0.478 115.310 115.700 0.147 0.000 2.515 402 S HA 0.095 4.565 4.470 0.000 0.000 0.231 402 S C 0.860 175.538 174.600 0.129 0.000 0.987 402 S CA 0.669 58.957 58.200 0.147 0.000 0.936 402 S CB -0.754 62.561 63.200 0.191 0.000 0.766 402 S HN 0.896 nan 8.310 nan 0.000 0.528 403 L N 0.117 121.387 121.223 0.078 0.000 3.898 403 L HA -0.169 4.171 4.340 0.000 0.000 0.407 403 L C 1.601 178.464 176.870 -0.012 0.000 1.207 403 L CA 0.737 55.565 54.840 -0.020 0.000 0.931 403 L CB -2.783 39.278 42.059 0.003 0.000 2.014 403 L HN 0.743 nan 8.230 nan 0.000 0.858 404 W N 0.416 121.726 121.300 0.016 0.000 2.374 404 W HA -0.124 4.536 4.660 0.000 0.000 0.288 404 W C 1.715 178.249 176.519 0.025 0.000 1.218 404 W CA 1.319 58.672 57.345 0.014 0.000 1.245 404 W CB -0.715 28.738 29.460 -0.011 0.000 1.126 404 W HN 0.267 nan 8.180 nan 0.000 0.545 405 K N 1.087 120.860 120.400 -1.044 0.000 2.057 405 K HA -0.169 4.151 4.320 0.000 0.000 0.207 405 K C 1.488 177.885 176.600 -0.338 0.000 1.049 405 K CA 2.354 58.066 56.287 -0.958 0.000 0.931 405 K CB -0.395 31.464 32.500 -1.070 0.000 0.714 405 K HN 0.065 nan 8.250 nan 0.000 0.440 406 D N 0.123 120.384 120.400 -0.233 0.000 2.178 406 D HA -0.125 4.515 4.640 0.000 0.000 0.201 406 D C 1.924 178.214 176.300 -0.017 0.000 0.980 406 D CA 0.922 54.863 54.000 -0.099 0.000 0.842 406 D CB 0.064 40.823 40.800 -0.068 0.000 0.948 406 D HN 0.020 nan 8.370 nan 0.000 0.472 407 R N 0.687 121.199 120.500 0.020 0.000 2.062 407 R HA 0.026 4.366 4.340 0.000 0.000 0.231 407 R C 2.042 178.425 176.300 0.138 0.000 1.136 407 R CA 1.474 57.633 56.100 0.097 0.000 0.948 407 R CB -0.600 29.785 30.300 0.141 0.000 0.845 407 R HN 0.149 nan 8.270 nan 0.000 0.430 408 A N -0.168 122.746 122.820 0.158 0.000 1.841 408 A HA -0.177 4.143 4.320 0.000 0.000 0.216 408 A C 2.273 179.961 177.584 0.174 0.000 1.199 408 A CA 1.874 54.039 52.037 0.214 0.000 0.621 408 A CB -1.336 17.826 19.000 0.270 0.000 0.835 408 A HN 0.247 nan 8.150 nan 0.000 0.445 409 V N 0.004 119.973 119.914 0.092 0.000 2.428 409 V HA -0.287 3.833 4.120 0.000 0.000 0.255 409 V C 2.575 178.711 176.094 0.070 0.000 1.080 409 V CA 3.007 65.347 62.300 0.067 0.000 1.083 409 V CB -0.899 30.919 31.823 -0.009 0.000 0.665 409 V HN 0.700 nan 8.190 nan 0.000 0.461 410 T N -0.559 114.042 114.554 0.079 0.000 2.777 410 T HA -0.112 4.238 4.350 0.000 0.000 0.266 410 T C 1.784 176.546 174.700 0.103 0.000 1.040 410 T CA 1.394 63.544 62.100 0.082 0.000 1.141 410 T CB -0.235 68.684 68.868 0.086 0.000 0.868 410 T HN 0.514 nan 8.240 nan 0.000 0.444 411 E N 1.108 121.411 120.200 0.172 0.000 2.110 411 E HA -0.028 4.322 4.350 0.000 0.000 0.193 411 E C 2.206 178.882 176.600 0.127 0.000 0.988 411 E CA 0.756 57.303 56.400 0.246 0.000 0.804 411 E CB -0.448 29.495 29.700 0.404 0.000 0.745 411 E HN 0.530 nan 8.360 nan 0.000 0.458 412 I N 1.490 122.149 120.570 0.148 0.000 2.226 412 I HA -0.257 3.913 4.170 0.000 0.000 0.245 412 I C 2.071 178.204 176.117 0.027 0.000 1.100 412 I CA 0.790 62.164 61.300 0.123 0.000 1.374 412 I CB -0.319 37.849 38.000 0.280 0.000 1.057 412 I HN 0.046 nan 8.210 nan 0.000 0.413 413 N N 0.726 119.436 118.700 0.016 0.000 2.120 413 N HA -0.141 4.599 4.740 0.000 0.000 0.188 413 N C 2.005 177.481 175.510 -0.057 0.000 1.024 413 N CA 1.803 54.834 53.050 -0.032 0.000 0.852 413 N CB -0.277 38.197 38.487 -0.022 0.000 1.003 413 N HN 0.403 nan 8.380 nan 0.000 0.424 414 V N -0.774 119.092 119.914 -0.081 0.000 2.667 414 V HA 0.059 4.179 4.120 0.000 0.000 0.252 414 V C 2.229 178.182 176.094 -0.235 0.000 1.065 414 V CA 1.567 63.774 62.300 -0.154 0.000 1.083 414 V CB -0.860 30.832 31.823 -0.218 0.000 0.692 414 V HN 0.162 nan 8.190 nan 0.000 0.468 415 A N 0.752 123.378 122.820 -0.323 0.000 1.845 415 A HA -0.093 4.227 4.320 0.000 0.000 0.215 415 A C 2.405 179.929 177.584 -0.101 0.000 1.195 415 A CA 2.471 54.278 52.037 -0.384 0.000 0.616 415 A CB -1.088 17.387 19.000 -0.875 0.000 0.832 415 A HN 0.486 nan 8.150 nan 0.000 0.443 416 V N -0.226 119.669 119.914 -0.031 0.000 2.231 416 V HA -0.279 3.841 4.120 0.000 0.000 0.248 416 V C 2.536 178.665 176.094 0.058 0.000 1.054 416 V CA 2.135 64.470 62.300 0.057 0.000 1.015 416 V CB -0.895 30.887 31.823 -0.067 0.000 0.638 416 V HN 0.497 nan 8.190 nan 0.000 0.444 417 L N -0.310 120.895 121.223 -0.029 0.000 1.990 417 L HA -0.231 4.109 4.340 0.000 0.000 0.213 417 L C 2.510 179.411 176.870 0.052 0.000 1.072 417 L CA 2.385 57.214 54.840 -0.019 0.000 0.755 417 L CB -1.358 40.685 42.059 -0.028 0.000 0.889 417 L HN 0.536 nan 8.230 nan 0.000 0.432 418 H N -1.486 117.537 119.070 -0.078 0.000 2.353 418 H HA -0.124 4.432 4.556 0.000 0.000 0.300 418 H C 2.084 177.398 175.328 -0.024 0.000 1.090 418 H CA 1.580 57.575 56.048 -0.087 0.000 1.327 418 H CB 0.502 30.148 29.762 -0.193 0.000 1.383 418 H HN 0.322 nan 8.280 nan 0.000 0.508 419 S N 0.179 115.814 115.700 -0.109 0.000 2.368 419 S HA -0.108 4.362 4.470 0.000 0.000 0.224 419 S C 1.890 176.450 174.600 -0.066 0.000 1.029 419 S CA 1.086 59.203 58.200 -0.138 0.000 0.988 419 S CB -0.440 62.764 63.200 0.008 0.000 0.838 419 S HN 0.296 nan 8.310 nan 0.000 0.462 420 F N 2.180 122.060 119.950 -0.117 0.000 2.171 420 F HA -0.107 4.420 4.527 0.000 0.000 0.300 420 F C 2.620 178.359 175.800 -0.103 0.000 1.090 420 F CA 1.085 59.033 58.000 -0.086 0.000 1.293 420 F CB -0.607 38.355 39.000 -0.064 0.000 1.013 420 F HN 0.236 nan 8.300 nan 0.000 0.486 421 Q N -0.121 119.722 119.800 0.072 0.000 2.046 421 Q HA -0.235 4.105 4.340 0.000 0.000 0.200 421 Q C 2.207 178.163 176.000 -0.073 0.000 0.975 421 Q CA 1.599 57.398 55.803 -0.007 0.000 0.836 421 Q CB -0.352 28.382 28.738 -0.007 0.000 0.896 421 Q HN 0.334 nan 8.270 nan 0.000 0.428 422 K N 0.825 121.124 120.400 -0.168 0.000 2.147 422 K HA -0.165 4.155 4.320 0.000 0.000 0.205 422 K C 1.231 177.753 176.600 -0.130 0.000 1.049 422 K CA 1.172 57.346 56.287 -0.189 0.000 0.936 422 K CB 0.209 32.494 32.500 -0.359 0.000 0.722 422 K HN 0.180 nan 8.250 nan 0.000 0.446 423 Q N 0.326 120.047 119.800 -0.132 0.000 2.201 423 Q HA 0.135 4.475 4.340 0.000 0.000 0.217 423 Q C -0.751 175.192 176.000 -0.095 0.000 0.860 423 Q CA -0.286 55.446 55.803 -0.118 0.000 0.984 423 Q CB 0.624 29.267 28.738 -0.157 0.000 1.095 423 Q HN 0.246 nan 8.270 nan 0.000 0.477 424 N N 0.197 118.856 118.700 -0.069 0.000 2.714 424 N HA -0.151 4.589 4.740 0.000 0.000 0.252 424 N C -1.303 174.184 175.510 -0.038 0.000 1.014 424 N CA 0.629 53.650 53.050 -0.049 0.000 0.735 424 N CB -1.070 37.388 38.487 -0.049 0.000 0.924 424 N HN 0.049 nan 8.380 nan 0.000 0.540 425 V N 0.806 120.715 119.914 -0.009 0.000 2.448 425 V HA 0.235 4.355 4.120 0.000 0.000 0.295 425 V C 0.806 177.007 176.094 0.179 0.000 1.025 425 V CA -0.698 61.634 62.300 0.053 0.000 0.859 425 V CB 2.039 33.823 31.823 -0.066 0.000 0.988 425 V HN 0.165 nan 8.190 nan 0.000 0.431 426 T N 6.492 121.083 114.554 0.062 0.000 2.905 426 T HA 0.372 4.722 4.350 0.000 0.000 0.299 426 T C -0.222 174.476 174.700 -0.004 0.000 1.024 426 T CA 1.015 63.055 62.100 -0.100 0.000 1.151 426 T CB 0.039 68.699 68.868 -0.346 0.000 0.987 426 T HN 0.584 nan 8.240 nan 0.000 0.535 427 I N 2.252 122.736 120.570 -0.145 0.000 3.021 427 I HA 0.623 4.793 4.170 0.000 0.000 0.305 427 I C -1.708 174.338 176.117 -0.118 0.000 1.434 427 I CA -1.183 60.025 61.300 -0.153 0.000 0.969 427 I CB 2.139 39.918 38.000 -0.368 0.000 1.328 427 I HN 0.668 nan 8.210 nan 0.000 0.486 428 M N 5.329 124.919 119.600 -0.018 0.000 2.324 428 M HA 0.368 4.848 4.480 0.000 0.000 0.288 428 M C -1.714 174.611 176.300 0.043 0.000 1.097 428 M CA -0.626 54.703 55.300 0.049 0.000 0.928 428 M CB 1.709 34.430 32.600 0.202 0.000 1.648 428 M HN 0.621 nan 8.290 nan 0.000 0.460 429 D N 3.395 123.825 120.400 0.051 0.000 2.358 429 D HA 0.041 4.681 4.640 0.000 0.000 0.244 429 D C 0.622 176.985 176.300 0.105 0.000 1.163 429 D CA -0.087 53.973 54.000 0.100 0.000 0.945 429 D CB 0.512 41.371 40.800 0.100 0.000 1.152 429 D HN 0.860 nan 8.370 nan 0.000 0.451 430 H N -0.107 118.897 119.070 -0.110 0.000 2.495 430 H HA -0.097 4.459 4.556 0.000 0.000 0.287 430 H C 1.310 176.513 175.328 -0.209 0.000 1.033 430 H CA 1.060 56.993 56.048 -0.192 0.000 1.307 430 H CB -0.610 28.978 29.762 -0.290 0.000 1.401 430 H HN 0.510 nan 8.280 nan 0.000 0.555 431 H N 0.986 119.873 119.070 -0.306 0.000 2.284 431 H HA -0.023 4.533 4.556 0.000 0.000 0.304 431 H C 1.955 177.245 175.328 -0.063 0.000 1.069 431 H CA 1.869 57.792 56.048 -0.209 0.000 1.327 431 H CB -0.319 29.288 29.762 -0.260 0.000 1.387 431 H HN 0.352 nan 8.280 nan 0.000 0.498 432 T N 1.448 116.057 114.554 0.090 0.000 2.699 432 T HA -0.156 4.194 4.350 0.000 0.000 0.268 432 T C 2.324 177.081 174.700 0.095 0.000 1.036 432 T CA 1.345 63.493 62.100 0.080 0.000 1.147 432 T CB -0.470 68.440 68.868 0.069 0.000 0.862 432 T HN 0.441 nan 8.240 nan 0.000 0.446 433 A N 1.370 124.246 122.820 0.093 0.000 1.883 433 A HA -0.123 4.197 4.320 0.000 0.000 0.217 433 A C 2.644 180.304 177.584 0.128 0.000 1.186 433 A CA 2.087 54.193 52.037 0.115 0.000 0.624 433 A CB -1.025 18.031 19.000 0.093 0.000 0.822 433 A HN 0.442 nan 8.150 nan 0.000 0.444 434 S N -0.286 115.467 115.700 0.088 0.000 2.353 434 S HA -0.211 4.259 4.470 0.000 0.000 0.222 434 S C 1.866 176.567 174.600 0.168 0.000 1.035 434 S CA 1.687 59.956 58.200 0.116 0.000 1.025 434 S CB -0.405 62.832 63.200 0.063 0.000 0.902 434 S HN 0.698 nan 8.310 nan 0.000 0.440 435 E N 0.631 120.907 120.200 0.126 0.000 2.118 435 E HA -0.134 4.216 4.350 0.000 0.000 0.195 435 E C 2.277 178.949 176.600 0.121 0.000 0.992 435 E CA 1.123 57.590 56.400 0.113 0.000 0.804 435 E CB -0.206 29.544 29.700 0.084 0.000 0.741 435 E HN 0.406 nan 8.360 nan 0.000 0.458 436 S N 0.259 116.043 115.700 0.140 0.000 2.356 436 S HA -0.187 4.283 4.470 0.000 0.000 0.223 436 S C 1.748 176.451 174.600 0.172 0.000 1.032 436 S CA 1.010 59.297 58.200 0.144 0.000 1.005 436 S CB -0.291 63.005 63.200 0.159 0.000 0.867 436 S HN 0.334 nan 8.310 nan 0.000 0.449 437 F N 1.723 121.722 119.950 0.081 0.000 2.171 437 F HA 0.005 4.532 4.527 0.000 0.000 0.300 437 F C 2.155 178.031 175.800 0.128 0.000 1.090 437 F CA 1.401 59.463 58.000 0.104 0.000 1.293 437 F CB -0.291 38.749 39.000 0.065 0.000 1.013 437 F HN 0.198 nan 8.300 nan 0.000 0.486 438 M N 0.111 119.769 119.600 0.097 0.000 2.086 438 M HA -0.203 4.277 4.480 0.000 0.000 0.261 438 M C 2.272 178.529 176.300 -0.071 0.000 1.067 438 M CA 1.639 56.946 55.300 0.010 0.000 1.116 438 M CB -1.187 31.465 32.600 0.087 0.000 1.348 438 M HN 0.058 nan 8.290 nan 0.000 0.407 439 K N -0.305 120.087 120.400 -0.013 0.000 2.063 439 K HA -0.223 4.097 4.320 0.000 0.000 0.208 439 K C 1.945 178.514 176.600 -0.052 0.000 1.048 439 K CA 1.876 58.154 56.287 -0.014 0.000 0.928 439 K CB -0.640 31.878 32.500 0.030 0.000 0.713 439 K HN 0.387 nan 8.250 nan 0.000 0.442 440 H N -0.277 118.687 119.070 -0.177 0.000 2.321 440 H HA -0.057 4.499 4.556 0.000 0.000 0.300 440 H C 2.030 177.186 175.328 -0.286 0.000 1.087 440 H CA 2.478 58.390 56.048 -0.226 0.000 1.319 440 H CB -0.207 29.375 29.762 -0.299 0.000 1.379 440 H HN 0.255 nan 8.280 nan 0.000 0.501 441 M N 0.014 119.278 119.600 -0.559 0.000 2.082 441 M HA -0.276 4.204 4.480 0.000 0.000 0.258 441 M C 2.208 178.418 176.300 -0.150 0.000 1.069 441 M CA 2.142 57.190 55.300 -0.420 0.000 1.102 441 M CB -0.056 32.337 32.600 -0.344 0.000 1.336 441 M HN 0.475 nan 8.290 nan 0.000 0.404 442 Q N -0.023 119.691 119.800 -0.144 0.000 2.030 442 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 442 Q C 1.760 177.727 176.000 -0.056 0.000 0.986 442 Q CA 1.820 57.582 55.803 -0.069 0.000 0.843 442 Q CB -0.381 28.316 28.738 -0.068 0.000 0.904 442 Q HN 0.579 nan 8.270 nan 0.000 0.420 443 N N 0.726 119.357 118.700 -0.114 0.000 2.094 443 N HA -0.203 4.538 4.740 0.000 0.000 0.191 443 N C 1.649 177.072 175.510 -0.145 0.000 1.023 443 N CA 1.281 54.272 53.050 -0.099 0.000 0.857 443 N CB -0.253 38.187 38.487 -0.079 0.000 1.013 443 N HN 0.210 nan 8.380 nan 0.000 0.426 444 E N -0.101 119.924 120.200 -0.290 0.000 2.153 444 E HA -0.102 4.248 4.350 0.000 0.000 0.194 444 E C 1.534 177.998 176.600 -0.228 0.000 0.988 444 E CA 0.923 57.117 56.400 -0.345 0.000 0.811 444 E CB -0.188 29.166 29.700 -0.577 0.000 0.746 444 E HN 0.425 nan 8.360 nan 0.000 0.466 445 Y N 0.073 120.264 120.300 -0.182 0.000 2.263 445 Y HA -0.016 4.534 4.550 0.000 0.000 0.292 445 Y C 2.221 178.071 175.900 -0.085 0.000 1.130 445 Y CA 1.292 59.327 58.100 -0.109 0.000 1.179 445 Y CB 0.045 38.455 38.460 -0.083 0.000 0.998 445 Y HN -0.027 nan 8.280 nan 0.000 0.532 446 R N -0.533 119.997 120.500 0.050 0.000 2.092 446 R HA -0.092 4.248 4.340 0.000 0.000 0.231 446 R C 2.442 178.727 176.300 -0.026 0.000 1.119 446 R CA 1.019 57.127 56.100 0.013 0.000 0.970 446 R CB -0.588 29.716 30.300 0.006 0.000 0.864 446 R HN 0.288 nan 8.270 nan 0.000 0.440 447 A N 2.100 124.885 122.820 -0.058 0.000 1.841 447 A HA -0.172 4.148 4.320 0.000 0.000 0.214 447 A C 1.729 179.259 177.584 -0.090 0.000 1.195 447 A CA 1.581 53.577 52.037 -0.069 0.000 0.611 447 A CB -0.172 18.774 19.000 -0.091 0.000 0.835 447 A HN 0.430 nan 8.150 nan 0.000 0.443 448 R N -2.278 118.136 120.500 -0.144 0.000 2.615 448 R HA 0.422 4.762 4.340 0.000 0.000 0.448 448 R C 0.572 176.761 176.300 -0.184 0.000 1.009 448 R CA 0.223 56.236 56.100 -0.145 0.000 1.111 448 R CB -0.776 29.431 30.300 -0.155 0.000 1.461 448 R HN 0.872 nan 8.270 nan 0.000 0.587 449 G N 0.173 108.859 108.800 -0.190 0.000 2.386 449 G HA2 0.007 3.968 3.960 0.000 0.000 0.295 449 G HA3 0.007 3.968 3.960 0.000 0.000 0.295 449 G C 0.275 174.886 174.900 -0.483 0.000 0.979 449 G CA 0.361 45.328 45.100 -0.222 0.000 1.193 449 G HN 0.999 nan 8.290 nan 0.000 0.508 450 G N -2.327 105.874 108.800 -1.000 0.000 2.352 450 G HA2 0.532 4.493 3.960 0.000 0.000 0.305 450 G HA3 0.532 4.493 3.960 0.000 0.000 0.305 450 G C -0.796 173.639 174.900 -0.776 0.000 1.537 450 G CA 0.167 44.589 45.100 -1.129 0.000 0.959 450 G HN 1.919 nan 8.290 nan 0.000 0.668 451 C N 2.829 121.870 119.300 -0.432 0.000 2.887 451 C HA 0.640 5.100 4.460 0.000 0.000 0.379 451 C C -2.488 172.435 174.990 -0.112 0.000 1.064 451 C CA -1.142 57.763 59.018 -0.188 0.000 1.282 451 C CB 1.133 28.825 27.740 -0.080 0.000 1.749 451 C HN 0.712 nan 8.230 nan 0.000 0.489 452 P HA 0.368 nan 4.420 nan 0.000 0.265 452 P C -0.549 176.650 177.300 -0.170 0.000 1.222 452 P CA 0.676 63.409 63.100 -0.612 0.000 0.767 452 P CB 0.916 32.121 31.700 -0.825 0.000 0.801 453 A N 3.050 125.842 122.820 -0.047 0.000 2.449 453 A HA 0.450 4.770 4.320 0.000 0.000 0.302 453 A C -0.867 176.759 177.584 0.071 0.000 1.048 453 A CA -0.560 51.530 52.037 0.088 0.000 0.708 453 A CB 1.344 20.509 19.000 0.276 0.000 1.274 453 A HN 0.436 nan 8.150 nan 0.000 0.410 454 D N 1.917 122.346 120.400 0.049 0.000 2.485 454 D HA 0.128 4.768 4.640 0.000 0.000 0.229 454 D C 0.802 177.217 176.300 0.193 0.000 1.101 454 D CA -0.572 53.490 54.000 0.104 0.000 0.906 454 D CB 0.257 41.068 40.800 0.018 0.000 1.019 454 D HN 0.604 nan 8.370 nan 0.000 0.516 455 W N 4.450 125.766 121.300 0.026 0.000 2.290 455 W HA -0.273 4.387 4.660 0.000 0.000 0.318 455 W C 1.757 178.294 176.519 0.030 0.000 1.248 455 W CA 1.460 58.808 57.345 0.005 0.000 1.263 455 W CB -0.129 29.315 29.460 -0.026 0.000 1.147 455 W HN 0.463 nan 8.180 nan 0.000 0.494 456 I N -1.009 119.873 120.570 0.520 0.000 2.315 456 I HA -0.329 3.841 4.170 0.000 0.000 0.251 456 I C 1.796 178.006 176.117 0.155 0.000 1.125 456 I CA 1.600 63.134 61.300 0.390 0.000 1.392 456 I CB -0.666 37.569 38.000 0.393 0.000 1.065 456 I HN 0.151 nan 8.210 nan 0.000 0.424 457 W N 0.173 121.435 121.300 -0.063 0.000 2.574 457 W HA 0.132 4.792 4.660 0.000 0.000 0.282 457 W C 2.298 178.681 176.519 -0.225 0.000 1.197 457 W CA 0.165 57.434 57.345 -0.127 0.000 1.376 457 W CB -0.552 28.848 29.460 -0.100 0.000 1.091 457 W HN -0.087 nan 8.180 nan 0.000 0.569 458 L N 0.070 121.242 121.223 -0.085 0.000 2.191 458 L HA -0.087 4.253 4.340 0.000 0.000 0.212 458 L C 0.622 177.271 176.870 -0.369 0.000 1.103 458 L CA 0.454 55.110 54.840 -0.306 0.000 0.769 458 L CB -1.093 40.700 42.059 -0.444 0.000 0.908 458 L HN -0.365 nan 8.230 nan 0.000 0.438 459 V N 1.082 120.702 119.914 -0.490 0.000 2.488 459 V HA 0.158 4.278 4.120 0.000 0.000 0.277 459 V C -1.860 174.041 176.094 -0.322 0.000 1.046 459 V CA -1.472 60.525 62.300 -0.504 0.000 0.986 459 V CB 0.650 31.950 31.823 -0.872 0.000 0.989 459 V HN 0.030 nan 8.190 nan 0.000 0.475 460 P HA 0.094 nan 4.420 nan 0.000 0.267 460 P C -1.834 175.338 177.300 -0.212 0.000 1.200 460 P CA -1.041 61.935 63.100 -0.208 0.000 0.772 460 P CB -0.009 31.609 31.700 -0.138 0.000 0.855 461 P HA -0.054 nan 4.420 nan 0.000 0.236 461 P C 0.090 177.287 177.300 -0.173 0.000 1.172 461 P CA 1.112 64.089 63.100 -0.205 0.000 0.759 461 P CB 0.400 31.966 31.700 -0.224 0.000 0.843 462 V N -1.677 118.122 119.914 -0.192 0.000 3.048 462 V HA 0.324 4.445 4.120 0.000 0.000 0.303 462 V C -0.142 175.909 176.094 -0.071 0.000 1.214 462 V CA -0.389 61.826 62.300 -0.141 0.000 0.984 462 V CB 1.800 33.518 31.823 -0.175 0.000 1.054 462 V HN -0.017 nan 8.190 nan 0.000 0.430 463 S N 2.909 118.595 115.700 -0.025 0.000 3.635 463 S HA -0.189 4.281 4.470 0.000 0.000 0.328 463 S C 1.408 175.974 174.600 -0.057 0.000 1.135 463 S CA 1.286 59.493 58.200 0.011 0.000 0.942 463 S CB -1.480 61.806 63.200 0.145 0.000 0.930 463 S HN 1.836 nan 8.310 nan 0.000 0.512 464 G N 2.320 111.053 108.800 -0.113 0.000 2.672 464 G HA2 -0.348 3.612 3.960 0.000 0.000 0.218 464 G HA3 -0.348 3.612 3.960 0.000 0.000 0.218 464 G C 1.470 176.170 174.900 -0.333 0.000 1.238 464 G CA 1.709 46.718 45.100 -0.153 0.000 0.791 464 G HN 1.313 nan 8.290 nan 0.000 0.606 465 S N 0.149 115.385 115.700 -0.773 0.000 2.515 465 S HA 0.094 4.564 4.470 0.000 0.000 0.231 465 S C 2.013 176.522 174.600 -0.152 0.000 0.987 465 S CA 0.525 58.140 58.200 -0.976 0.000 0.936 465 S CB -0.029 62.434 63.200 -1.228 0.000 0.766 465 S HN 0.198 nan 8.310 nan 0.000 0.528 466 I N 1.899 122.420 120.570 -0.083 0.000 3.176 466 I HA 0.090 4.260 4.170 0.000 0.000 0.275 466 I C 0.765 176.951 176.117 0.116 0.000 1.298 466 I CA 0.590 61.922 61.300 0.052 0.000 1.445 466 I CB -1.798 36.253 38.000 0.086 0.000 1.075 466 I HN 0.263 nan 8.210 nan 0.000 0.482 467 T N 1.962 116.565 114.554 0.081 0.000 2.859 467 T HA 0.263 4.613 4.350 0.000 0.000 0.281 467 T C -1.490 173.336 174.700 0.210 0.000 1.005 467 T CA -1.192 60.972 62.100 0.107 0.000 1.025 467 T CB 2.522 71.397 68.868 0.011 0.000 0.977 467 T HN -0.113 nan 8.240 nan 0.000 0.458 468 P HA -0.163 nan 4.420 nan 0.000 0.213 468 P C 1.844 179.306 177.300 0.269 0.000 1.170 468 P CA 1.147 64.408 63.100 0.268 0.000 0.902 468 P CB -0.250 31.558 31.700 0.179 0.000 0.789 469 V N -2.463 117.554 119.914 0.171 0.000 2.428 469 V HA -0.309 3.811 4.120 0.000 0.000 0.255 469 V C 2.082 178.217 176.094 0.068 0.000 1.080 469 V CA 2.011 64.380 62.300 0.115 0.000 1.083 469 V CB -2.084 29.730 31.823 -0.016 0.000 0.665 469 V HN -0.020 nan 8.190 nan 0.000 0.461 470 F N 1.818 121.692 119.950 -0.127 0.000 2.216 470 F HA -0.110 4.417 4.527 0.000 0.000 0.300 470 F C 2.275 178.126 175.800 0.084 0.000 1.085 470 F CA 2.148 60.081 58.000 -0.113 0.000 1.326 470 F CB -0.325 38.490 39.000 -0.307 0.000 1.027 470 F HN 0.356 nan 8.300 nan 0.000 0.497 471 H N -0.724 118.609 119.070 0.440 0.000 2.538 471 H HA 0.162 4.718 4.556 0.000 0.000 0.286 471 H C 0.053 175.496 175.328 0.192 0.000 1.035 471 H CA 0.086 56.315 56.048 0.301 0.000 1.169 471 H CB -0.135 29.794 29.762 0.279 0.000 1.417 471 H HN 0.242 nan 8.280 nan 0.000 0.567 472 Q N 1.753 121.728 119.800 0.291 0.000 2.348 472 Q HA 0.182 4.522 4.340 0.000 0.000 0.265 472 Q C -0.671 175.459 176.000 0.216 0.000 0.998 472 Q CA -0.469 55.467 55.803 0.221 0.000 0.831 472 Q CB 0.874 29.741 28.738 0.215 0.000 1.251 472 Q HN 0.205 nan 8.270 nan 0.000 0.456 473 E N 3.503 123.765 120.200 0.104 0.000 2.384 473 E HA 0.234 4.584 4.350 0.000 0.000 0.266 473 E C -0.569 176.099 176.600 0.114 0.000 1.012 473 E CA 0.437 56.869 56.400 0.052 0.000 0.901 473 E CB 0.669 30.372 29.700 0.005 0.000 0.967 473 E HN 0.599 nan 8.360 nan 0.000 0.435 474 M N 2.710 122.392 119.600 0.135 0.000 2.501 474 M HA 0.350 4.831 4.480 0.000 0.000 0.293 474 M C -1.393 175.007 176.300 0.167 0.000 1.192 474 M CA -1.100 54.316 55.300 0.192 0.000 0.886 474 M CB 1.527 34.289 32.600 0.270 0.000 1.710 474 M HN 0.176 nan 8.290 nan 0.000 0.457 475 L N 2.475 123.827 121.223 0.215 0.000 2.296 475 L HA 0.486 4.826 4.340 0.000 0.000 0.286 475 L C -0.530 176.447 176.870 0.178 0.000 1.023 475 L CA -0.152 54.837 54.840 0.249 0.000 0.812 475 L CB 1.278 43.567 42.059 0.383 0.000 1.223 475 L HN 0.606 nan 8.230 nan 0.000 0.421 476 N N 3.217 122.008 118.700 0.152 0.000 2.479 476 N HA 0.534 5.274 4.740 0.000 0.000 0.261 476 N C -1.591 173.976 175.510 0.094 0.000 0.979 476 N CA -0.337 52.719 53.050 0.011 0.000 0.930 476 N CB 0.621 39.128 38.487 0.034 0.000 1.172 476 N HN 0.372 nan 8.380 nan 0.000 0.499 477 Y N 0.211 120.510 120.300 -0.002 0.000 2.588 477 Y HA 0.648 5.198 4.550 0.000 0.000 0.343 477 Y C -0.989 174.852 175.900 -0.098 0.000 1.065 477 Y CA -1.442 56.628 58.100 -0.050 0.000 1.038 477 Y CB 0.664 39.096 38.460 -0.047 0.000 1.297 477 Y HN -0.004 nan 8.280 nan 0.000 0.467 478 V N 4.326 124.200 119.914 -0.065 0.000 2.385 478 V HA 0.325 4.445 4.120 0.000 0.000 0.269 478 V C 0.256 176.208 176.094 -0.236 0.000 1.043 478 V CA -0.396 61.649 62.300 -0.425 0.000 0.906 478 V CB 0.336 31.718 31.823 -0.734 0.000 0.995 478 V HN 0.738 nan 8.190 nan 0.000 0.467 479 L N 3.039 124.176 121.223 -0.142 0.000 2.805 479 L HA 0.748 5.088 4.340 0.000 0.000 0.242 479 L C 0.328 177.180 176.870 -0.029 0.000 1.180 479 L CA -0.480 54.355 54.840 -0.009 0.000 1.001 479 L CB 1.382 43.482 42.059 0.067 0.000 1.864 479 L HN 0.628 nan 8.230 nan 0.000 0.551 480 S N -0.253 115.466 115.700 0.032 0.000 2.543 480 S HA 0.489 4.959 4.470 0.000 0.000 0.273 480 S C -2.796 171.840 174.600 0.061 0.000 1.152 480 S CA -1.062 57.163 58.200 0.042 0.000 0.910 480 S CB 1.965 65.162 63.200 -0.004 0.000 1.105 480 S HN 0.270 nan 8.310 nan 0.000 0.465 481 P HA 0.361 nan 4.420 nan 0.000 0.270 481 P C -1.086 176.188 177.300 -0.043 0.000 1.223 481 P CA -0.142 62.920 63.100 -0.062 0.000 0.785 481 P CB 0.249 31.841 31.700 -0.180 0.000 0.923 482 F N 0.431 120.201 119.950 -0.302 0.000 2.645 482 F HA 0.432 4.959 4.527 0.000 0.000 0.310 482 F C -1.344 174.158 175.800 -0.497 0.000 1.102 482 F CA -0.884 56.858 58.000 -0.430 0.000 0.952 482 F CB 1.463 40.178 39.000 -0.475 0.000 1.326 482 F HN 0.131 nan 8.300 nan 0.000 0.456 483 Y N 3.772 123.611 120.300 -0.768 0.000 2.353 483 Y HA 0.464 5.015 4.550 0.000 0.000 0.340 483 Y C -0.976 174.642 175.900 -0.470 0.000 0.972 483 Y CA -0.659 57.189 58.100 -0.421 0.000 1.157 483 Y CB 0.537 38.733 38.460 -0.438 0.000 1.157 483 Y HN 0.373 nan 8.280 nan 0.000 0.495 484 Y N 1.230 121.586 120.300 0.093 0.000 2.534 484 Y HA 0.444 4.994 4.550 0.000 0.000 0.329 484 Y C -0.421 175.495 175.900 0.027 0.000 1.154 484 Y CA -1.201 56.938 58.100 0.065 0.000 1.192 484 Y CB 0.908 39.455 38.460 0.146 0.000 1.275 484 Y HN 0.404 nan 8.280 nan 0.000 0.491 485 Y N 0.463 120.924 120.300 0.267 0.000 2.334 485 Y HA 0.417 4.967 4.550 0.000 0.000 0.325 485 Y C -0.030 175.939 175.900 0.114 0.000 1.308 485 Y CA -1.155 57.023 58.100 0.130 0.000 1.389 485 Y CB 0.736 39.244 38.460 0.080 0.000 1.328 485 Y HN 0.446 nan 8.280 nan 0.000 0.532 486 Q N 0.170 120.098 119.800 0.212 0.000 2.544 486 Q HA 0.600 4.940 4.340 0.000 0.000 0.291 486 Q C -1.463 174.519 176.000 -0.030 0.000 1.068 486 Q CA -1.084 54.762 55.803 0.072 0.000 0.785 486 Q CB 2.250 31.004 28.738 0.027 0.000 1.481 486 Q HN 0.480 nan 8.270 nan 0.000 0.430 487 I N 1.487 122.003 120.570 -0.090 0.000 2.496 487 I HA 0.044 4.214 4.170 0.000 0.000 0.285 487 I C 0.144 176.047 176.117 -0.357 0.000 1.080 487 I CA -0.183 61.013 61.300 -0.174 0.000 1.404 487 I CB 0.525 38.441 38.000 -0.141 0.000 1.403 487 I HN 0.533 nan 8.210 nan 0.000 0.539 488 E N 8.750 128.632 120.200 -0.529 0.000 2.729 488 E HA -0.093 4.257 4.350 0.000 0.000 0.246 488 E C -1.309 174.591 176.600 -1.166 0.000 0.984 488 E CA -0.775 54.971 56.400 -1.091 0.000 0.951 488 E CB 0.305 29.105 29.700 -1.500 0.000 0.914 488 E HN 0.437 nan 8.360 nan 0.000 0.509 489 P HA -0.218 nan 4.420 nan 0.000 0.216 489 P C 0.965 177.725 177.300 -0.899 0.000 1.157 489 P CA 1.648 64.178 63.100 -0.949 0.000 0.880 489 P CB -0.245 30.727 31.700 -1.214 0.000 0.791 490 W N 0.987 121.697 121.300 -0.984 0.000 2.560 490 W HA 0.045 4.705 4.660 0.000 0.000 0.252 490 W C 1.546 178.044 176.519 -0.035 0.000 1.242 490 W CA 0.545 57.616 57.345 -0.456 0.000 1.242 490 W CB -1.430 27.895 29.460 -0.225 0.000 1.136 490 W HN -0.021 nan 8.180 nan 0.000 0.625 491 K N -0.128 120.108 120.400 -0.273 0.000 2.313 491 K HA 0.036 4.356 4.320 0.000 0.000 0.197 491 K C 0.804 177.393 176.600 -0.019 0.000 1.061 491 K CA 1.177 57.430 56.287 -0.056 0.000 0.980 491 K CB 0.151 32.549 32.500 -0.169 0.000 0.888 491 K HN 0.061 nan 8.250 nan 0.000 0.502 492 T N -0.072 114.426 114.554 -0.094 0.000 3.253 492 T HA 0.257 4.607 4.350 0.000 0.000 0.391 492 T C -1.419 173.305 174.700 0.040 0.000 1.527 492 T CA -0.591 61.489 62.100 -0.032 0.000 1.268 492 T CB -0.011 68.812 68.868 -0.075 0.000 1.126 492 T HN 0.291 nan 8.240 nan 0.000 0.620 493 H N 3.444 122.496 119.070 -0.031 0.000 3.174 493 H HA 0.359 4.915 4.556 0.000 0.000 0.307 493 H C -1.081 174.236 175.328 -0.018 0.000 1.116 493 H CA -0.847 55.167 56.048 -0.058 0.000 1.489 493 H CB 0.584 30.297 29.762 -0.081 0.000 2.104 493 H HN 0.700 nan 8.280 nan 0.000 0.414 494 I N 1.940 122.196 120.570 -0.524 0.000 2.315 494 I HA 0.391 4.561 4.170 0.000 0.000 0.291 494 I C -0.341 175.455 176.117 -0.535 0.000 1.006 494 I CA -0.706 60.406 61.300 -0.314 0.000 1.265 494 I CB 0.482 38.403 38.000 -0.132 0.000 1.387 494 I HN 0.328 nan 8.210 nan 0.000 0.475 495 W N 0.000 121.124 121.300 -0.293 0.000 2.388 495 W HA 0.000 4.660 4.660 0.000 0.000 0.303 495 W CA 0.000 57.266 57.345 -0.132 0.000 1.226 495 W CB 0.000 29.475 29.460 0.024 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535