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 1m8e_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDXXXXX 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 0.000 176.232 176.000 0.387 0.000 1.003 77 Q CA 0.000 55.981 55.803 0.296 0.000 1.022 77 Q CB 0.000 28.813 28.738 0.124 0.000 1.108 78 Y N -1.220 119.146 120.300 0.109 0.000 2.457 78 Y HA 0.602 5.152 4.550 0.000 0.000 0.322 78 Y C -1.744 174.140 175.900 -0.027 0.000 1.218 78 Y CA -1.242 56.877 58.100 0.031 0.000 1.116 78 Y CB 0.649 39.096 38.460 -0.022 0.000 1.335 78 Y HN -0.164 nan 8.280 nan 0.000 0.452 79 V N 4.348 124.280 119.914 0.030 0.000 2.439 79 V HA 0.537 4.657 4.120 0.000 0.000 0.282 79 V C 0.238 176.378 176.094 0.077 0.000 1.039 79 V CA -0.759 61.489 62.300 -0.087 0.000 0.913 79 V CB 1.384 33.063 31.823 -0.240 0.000 0.983 79 V HN 0.858 nan 8.190 nan 0.000 0.460 80 R N 3.523 124.064 120.500 0.068 0.000 2.357 80 R HA 0.661 5.001 4.340 0.000 0.000 0.296 80 R C -1.034 175.322 176.300 0.094 0.000 1.052 80 R CA -0.286 55.923 56.100 0.182 0.000 0.988 80 R CB 0.715 31.107 30.300 0.154 0.000 1.025 80 R HN 0.683 nan 8.270 nan 0.000 0.469 81 I N 3.303 123.928 120.570 0.092 0.000 2.533 81 I HA 0.280 4.450 4.170 0.000 0.000 0.290 81 I C -0.639 175.465 176.117 -0.021 0.000 1.056 81 I CA -0.736 60.588 61.300 0.040 0.000 1.057 81 I CB 2.170 40.194 38.000 0.041 0.000 1.240 81 I HN 0.457 nan 8.210 nan 0.000 0.423 82 K N 4.671 125.020 120.400 -0.085 0.000 2.221 82 K HA 0.339 4.659 4.320 0.000 0.000 0.258 82 K C -0.548 175.906 176.600 -0.244 0.000 0.944 82 K CA -0.634 55.490 56.287 -0.272 0.000 0.823 82 K CB 1.283 33.413 32.500 -0.618 0.000 1.113 82 K HN 0.473 nan 8.250 nan 0.000 0.431 83 N N 4.551 123.137 118.700 -0.191 0.000 2.767 83 N HA 0.060 4.800 4.740 0.000 0.000 0.238 83 N C -0.224 175.253 175.510 -0.054 0.000 1.083 83 N CA -0.459 52.562 53.050 -0.048 0.000 0.964 83 N CB 0.029 38.506 38.487 -0.017 0.000 1.252 83 N HN 0.626 nan 8.380 nan 0.000 0.512 84 W N 1.973 123.293 121.300 0.032 0.000 2.504 84 W HA -0.012 4.648 4.660 0.000 0.000 0.257 84 W C 1.959 178.497 176.519 0.032 0.000 1.225 84 W CA 0.663 58.029 57.345 0.035 0.000 1.205 84 W CB -0.182 29.298 29.460 0.034 0.000 1.137 84 W HN 0.557 nan 8.180 nan 0.000 0.612 85 G N -0.292 108.619 108.800 0.185 0.000 2.473 85 G HA2 -0.170 3.790 3.960 0.000 0.000 0.212 85 G HA3 -0.170 3.790 3.960 0.000 0.000 0.212 85 G C 1.503 176.452 174.900 0.082 0.000 1.211 85 G CA 1.067 46.242 45.100 0.125 0.000 0.813 85 G HN 0.263 nan 8.290 nan 0.000 0.541 86 S N -0.403 115.325 115.700 0.047 0.000 2.575 86 S HA 0.365 4.835 4.470 0.000 0.000 0.215 86 S C 1.958 176.557 174.600 -0.001 0.000 0.966 86 S CA 0.991 59.205 58.200 0.025 0.000 0.911 86 S CB 0.189 63.398 63.200 0.015 0.000 0.780 86 S HN 1.596 nan 8.310 nan 0.000 0.514 87 G N 1.500 110.285 108.800 -0.025 0.000 2.284 87 G HA2 -0.387 3.573 3.960 0.000 0.000 0.261 87 G HA3 -0.387 3.573 3.960 0.000 0.000 0.261 87 G C -0.026 174.800 174.900 -0.123 0.000 0.997 87 G CA 0.445 45.492 45.100 -0.089 0.000 0.621 87 G HN 0.785 nan 8.290 nan 0.000 0.534 88 E N 0.513 120.665 120.200 -0.080 0.000 2.508 88 E HA 0.271 4.621 4.350 0.000 0.000 0.266 88 E C 0.327 176.862 176.600 -0.109 0.000 1.010 88 E CA 0.219 56.572 56.400 -0.080 0.000 0.955 88 E CB 0.094 29.762 29.700 -0.054 0.000 0.946 88 E HN 0.475 nan 8.360 nan 0.000 0.454 89 I N 3.970 124.479 120.570 -0.102 0.000 2.693 89 I HA 0.415 4.585 4.170 0.000 0.000 0.303 89 I C -0.459 175.588 176.117 -0.117 0.000 1.025 89 I CA -0.883 60.359 61.300 -0.096 0.000 1.086 89 I CB 1.352 39.312 38.000 -0.065 0.000 1.268 89 I HN 0.436 nan 8.210 nan 0.000 0.440 90 L N 3.646 124.826 121.223 -0.071 0.000 2.434 90 L HA 0.462 4.802 4.340 0.000 0.000 0.260 90 L C -1.182 175.737 176.870 0.081 0.000 0.983 90 L CA -0.653 54.134 54.840 -0.089 0.000 0.820 90 L CB 2.353 44.390 42.059 -0.036 0.000 1.361 90 L HN 0.556 nan 8.230 nan 0.000 0.410 91 H N 0.842 119.908 119.070 -0.006 0.000 2.595 91 H HA 0.193 4.749 4.556 0.000 0.000 0.313 91 H C -1.157 174.196 175.328 0.042 0.000 1.023 91 H CA -0.799 55.276 56.048 0.045 0.000 1.218 91 H CB 2.015 31.649 29.762 -0.212 0.000 1.403 91 H HN 0.420 nan 8.280 nan 0.000 0.477 92 D N 2.880 123.394 120.400 0.190 0.000 2.316 92 D HA 0.045 4.685 4.640 0.000 0.000 0.245 92 D C 0.324 176.731 176.300 0.178 0.000 1.171 92 D CA 0.029 54.096 54.000 0.112 0.000 0.856 92 D CB 1.395 42.198 40.800 0.004 0.000 1.090 92 D HN 0.572 nan 8.370 nan 0.000 0.476 93 T N 3.888 118.519 114.554 0.129 0.000 3.018 93 T HA 0.025 4.375 4.350 0.000 0.000 0.246 93 T C 1.939 176.623 174.700 -0.026 0.000 1.026 93 T CA -0.240 61.881 62.100 0.035 0.000 1.081 93 T CB 0.216 69.116 68.868 0.054 0.000 0.970 93 T HN 0.359 nan 8.240 nan 0.000 0.475 94 L N 2.418 123.678 121.223 0.062 0.000 2.127 94 L HA -0.186 4.154 4.340 0.000 0.000 0.211 94 L C 2.871 179.771 176.870 0.049 0.000 1.089 94 L CA 1.613 56.485 54.840 0.053 0.000 0.757 94 L CB -0.412 41.686 42.059 0.064 0.000 0.899 94 L HN 0.532 nan 8.230 nan 0.000 0.434 95 H N -1.917 117.127 119.070 -0.043 0.000 2.518 95 H HA -0.238 4.318 4.556 0.000 0.000 0.292 95 H C 1.617 176.984 175.328 0.066 0.000 1.068 95 H CA 1.729 57.773 56.048 -0.006 0.000 1.275 95 H CB -1.038 28.712 29.762 -0.021 0.000 1.375 95 H HN 0.592 nan 8.280 nan 0.000 0.563 96 H N 1.225 119.999 119.070 -0.494 0.000 2.423 96 H HA 0.018 4.574 4.556 0.000 0.000 0.297 96 H C 1.334 176.576 175.328 -0.144 0.000 1.075 96 H CA 0.783 56.611 56.048 -0.368 0.000 1.342 96 H CB 0.333 29.931 29.762 -0.273 0.000 1.395 96 H HN 0.373 nan 8.280 nan 0.000 0.530 97 K N 1.052 121.479 120.400 0.044 0.000 2.546 97 K HA 0.195 4.515 4.320 0.000 0.000 0.198 97 K C 0.337 176.955 176.600 0.031 0.000 1.028 97 K CA -0.293 56.015 56.287 0.034 0.000 1.150 97 K CB 0.582 33.103 32.500 0.035 0.000 0.876 97 K HN 0.150 nan 8.250 nan 0.000 0.508 98 A N 0.651 123.493 122.820 0.037 0.000 2.386 98 A HA 0.084 4.404 4.320 0.000 0.000 0.248 98 A C 1.156 178.759 177.584 0.031 0.000 1.082 98 A CA -0.121 51.942 52.037 0.044 0.000 0.789 98 A CB 0.399 19.439 19.000 0.066 0.000 1.025 98 A HN 0.168 nan 8.150 nan 0.000 0.490 99 T N 0.498 115.069 114.554 0.029 0.000 2.851 99 T HA 0.145 4.495 4.350 0.000 0.000 0.262 99 T C 0.705 175.418 174.700 0.021 0.000 1.043 99 T CA 1.516 63.629 62.100 0.021 0.000 1.140 99 T CB -0.339 68.540 68.868 0.018 0.000 0.872 99 T HN 1.683 nan 8.240 nan 0.000 0.446 100 S N 0.770 116.486 115.700 0.027 0.000 3.092 100 S HA -0.117 4.353 4.470 0.000 0.000 0.857 100 S C -0.596 174.015 174.600 0.019 0.000 1.014 100 S CA 0.208 58.423 58.200 0.026 0.000 1.283 100 S CB -1.119 62.096 63.200 0.025 0.000 0.910 100 S HN 0.667 nan 8.310 nan 0.000 0.245 110 L N 4.707 125.955 121.223 0.041 0.000 2.791 110 L HA 0.309 4.649 4.340 0.000 0.000 0.239 110 L C 2.063 178.976 176.870 0.071 0.000 1.203 110 L CA 0.755 55.623 54.840 0.047 0.000 1.002 110 L CB -0.061 42.022 42.059 0.041 0.000 1.295 110 L HN 0.964 nan 8.230 nan 0.000 0.504 111 G N -0.294 108.549 108.800 0.073 0.000 2.462 111 G HA2 -0.271 3.689 3.960 0.000 0.000 0.220 111 G HA3 -0.271 3.689 3.960 0.000 0.000 0.220 111 G C 1.613 176.595 174.900 0.137 0.000 1.121 111 G CA 1.091 46.249 45.100 0.098 0.000 0.758 111 G HN 0.375 nan 8.290 nan 0.000 0.559 112 S N -0.322 115.453 115.700 0.124 0.000 2.603 112 S HA 0.222 4.692 4.470 0.000 0.000 0.220 112 S C 0.929 175.637 174.600 0.180 0.000 0.967 112 S CA -0.564 57.726 58.200 0.151 0.000 0.920 112 S CB -0.265 63.006 63.200 0.118 0.000 0.773 112 S HN 0.058 nan 8.310 nan 0.000 0.529 113 I N 2.468 123.137 120.570 0.165 0.000 2.575 113 I HA 0.137 4.307 4.170 0.000 0.000 0.285 113 I C 1.555 177.799 176.117 0.212 0.000 1.085 113 I CA 0.026 61.436 61.300 0.183 0.000 1.403 113 I CB 0.697 38.774 38.000 0.128 0.000 1.409 113 I HN 0.283 nan 8.210 nan 0.000 0.557 114 M N 3.979 123.723 119.600 0.241 0.000 2.074 114 M HA -0.059 4.421 4.480 0.000 0.000 0.258 114 M C 0.471 176.792 176.300 0.034 0.000 1.083 114 M CA 1.610 57.013 55.300 0.171 0.000 1.128 114 M CB -0.343 32.298 32.600 0.069 0.000 1.301 114 M HN 0.479 nan 8.290 nan 0.000 0.417 115 N N 1.521 120.219 118.700 -0.003 0.000 3.112 115 N HA 0.291 5.031 4.740 0.000 0.000 0.270 115 N C -2.418 173.079 175.510 -0.021 0.000 1.385 115 N CA -0.829 52.119 53.050 -0.170 0.000 0.986 115 N CB 0.426 38.759 38.487 -0.257 0.000 1.261 115 N HN 0.277 nan 8.380 nan 0.000 0.495 116 P HA 0.146 nan 4.420 nan 0.000 0.271 116 P C 0.531 177.868 177.300 0.063 0.000 1.216 116 P CA -0.238 62.895 63.100 0.055 0.000 0.776 116 P CB 1.760 33.500 31.700 0.067 0.000 0.881 117 K N 0.986 121.413 120.400 0.045 0.000 2.360 117 K HA -0.104 4.216 4.320 0.000 0.000 0.201 117 K C 1.882 178.522 176.600 0.065 0.000 1.046 117 K CA 1.722 58.036 56.287 0.045 0.000 0.940 117 K CB -0.249 32.262 32.500 0.018 0.000 0.748 117 K HN 0.551 nan 8.250 nan 0.000 0.465 118 S N 0.200 115.941 115.700 0.068 0.000 2.461 118 S HA -0.042 4.428 4.470 0.000 0.000 0.228 118 S C 1.479 176.154 174.600 0.125 0.000 1.005 118 S CA 0.545 58.785 58.200 0.068 0.000 0.942 118 S CB 0.067 63.290 63.200 0.039 0.000 0.776 118 S HN 0.090 nan 8.310 nan 0.000 0.514 119 L N 1.547 122.879 121.223 0.183 0.000 2.728 119 L HA 0.436 4.776 4.340 0.000 0.000 0.238 119 L C 0.056 177.225 176.870 0.499 0.000 1.143 119 L CA 0.504 55.525 54.840 0.303 0.000 0.937 119 L CB 0.102 42.344 42.059 0.305 0.000 1.225 119 L HN 0.214 nan 8.230 nan 0.000 0.507 120 T N -0.733 114.037 114.554 0.359 0.000 2.888 120 T HA 0.550 4.900 4.350 0.000 0.000 0.284 120 T C -0.409 174.377 174.700 0.144 0.000 1.017 120 T CA -0.502 61.772 62.100 0.290 0.000 1.022 120 T CB 2.350 71.305 68.868 0.146 0.000 1.013 120 T HN -0.159 nan 8.240 nan 0.000 0.465 121 R N 1.355 121.904 120.500 0.082 0.000 2.487 121 R HA 0.529 4.869 4.340 0.000 0.000 0.288 121 R C 0.423 176.704 176.300 -0.032 0.000 1.394 121 R CA -0.338 55.708 56.100 -0.091 0.000 1.155 121 R CB 0.174 30.321 30.300 -0.256 0.000 1.156 121 R HN 0.857 nan 8.270 nan 0.000 0.553 122 G N 2.880 111.658 108.800 -0.038 0.000 2.583 122 G HA2 0.241 4.201 3.960 0.000 0.000 0.275 122 G HA3 0.241 4.201 3.960 0.000 0.000 0.275 122 G C -1.917 172.964 174.900 -0.032 0.000 1.342 122 G CA -0.865 44.215 45.100 -0.032 0.000 1.030 122 G HN 0.423 nan 8.290 nan 0.000 0.520 123 P HA 0.369 nan 4.420 nan 0.000 0.272 123 P C -0.130 177.160 177.300 -0.017 0.000 1.254 123 P CA -0.092 62.999 63.100 -0.016 0.000 0.795 123 P CB 0.500 32.191 31.700 -0.014 0.000 1.022 124 R N -0.058 120.437 120.500 -0.009 0.000 2.869 124 R HA 0.496 4.836 4.340 0.000 0.000 0.263 124 R C -0.268 176.025 176.300 -0.013 0.000 1.066 124 R CA -0.297 55.794 56.100 -0.015 0.000 0.960 124 R CB 0.939 31.228 30.300 -0.018 0.000 1.221 124 R HN 0.278 nan 8.270 nan 0.000 0.474 125 D N -0.839 119.549 120.400 -0.019 0.000 2.345 125 D HA 0.237 4.877 4.640 0.000 0.000 0.290 125 D C -0.909 175.372 176.300 -0.031 0.000 1.107 125 D CA 0.417 54.404 54.000 -0.022 0.000 0.836 125 D CB 0.824 41.614 40.800 -0.016 0.000 1.406 125 D HN 0.280 nan 8.370 nan 0.000 0.532 126 K N 0.430 120.812 120.400 -0.030 0.000 2.508 126 K HA 0.531 4.851 4.320 0.000 0.000 0.260 126 K C -2.767 173.815 176.600 -0.030 0.000 0.949 126 K CA -1.671 54.597 56.287 -0.031 0.000 0.834 126 K CB 2.588 35.075 32.500 -0.023 0.000 1.365 126 K HN -0.253 nan 8.250 nan 0.000 0.437 127 P HA 0.014 nan 4.420 nan 0.000 0.274 127 P C -0.629 176.664 177.300 -0.012 0.000 1.264 127 P CA -0.278 62.809 63.100 -0.022 0.000 0.795 127 P CB 0.323 32.012 31.700 -0.017 0.000 1.064 128 T N 2.229 116.781 114.554 -0.002 0.000 2.737 128 T HA 0.217 4.567 4.350 0.000 0.000 0.296 128 T C -2.200 172.506 174.700 0.010 0.000 0.922 128 T CA -0.841 61.264 62.100 0.009 0.000 1.079 128 T CB -0.512 68.373 68.868 0.027 0.000 0.892 128 T HN 0.249 nan 8.240 nan 0.000 0.514 129 P HA 0.007 nan 4.420 nan 0.000 0.256 129 P C 0.748 178.043 177.300 -0.008 0.000 1.173 129 P CA -0.163 62.934 63.100 -0.005 0.000 0.768 129 P CB 0.290 31.985 31.700 -0.009 0.000 0.758 130 L N 3.966 125.184 121.223 -0.008 0.000 2.151 130 L HA -0.268 4.072 4.340 0.000 0.000 0.215 130 L C 2.378 179.228 176.870 -0.033 0.000 1.084 130 L CA 1.922 56.754 54.840 -0.013 0.000 0.764 130 L CB -1.178 40.874 42.059 -0.013 0.000 0.891 130 L HN 0.505 nan 8.230 nan 0.000 0.435 131 E N -0.116 120.062 120.200 -0.038 0.000 2.204 131 E HA -0.223 4.127 4.350 0.000 0.000 0.194 131 E C 1.641 178.187 176.600 -0.090 0.000 0.989 131 E CA 1.470 57.837 56.400 -0.055 0.000 0.824 131 E CB -0.296 29.378 29.700 -0.043 0.000 0.756 131 E HN 0.661 nan 8.360 nan 0.000 0.477 132 E N 0.804 120.953 120.200 -0.085 0.000 2.102 132 E HA 0.075 4.425 4.350 0.000 0.000 0.190 132 E C 2.361 178.847 176.600 -0.190 0.000 0.971 132 E CA 0.182 56.491 56.400 -0.151 0.000 0.821 132 E CB -0.037 29.636 29.700 -0.046 0.000 0.777 132 E HN 0.133 nan 8.360 nan 0.000 0.460 133 L N 1.146 122.344 121.223 -0.042 0.000 2.012 133 L HA -0.195 4.145 4.340 0.000 0.000 0.210 133 L C 2.429 179.292 176.870 -0.011 0.000 1.073 133 L CA 0.758 55.620 54.840 0.037 0.000 0.748 133 L CB -0.123 41.977 42.059 0.068 0.000 0.891 133 L HN 0.188 nan 8.230 nan 0.000 0.431 134 L N 0.375 121.560 121.223 -0.064 0.000 2.013 134 L HA -0.134 4.206 4.340 0.000 0.000 0.212 134 L C -0.498 176.331 176.870 -0.068 0.000 1.073 134 L CA 2.169 56.961 54.840 -0.081 0.000 0.753 134 L CB -1.814 40.199 42.059 -0.076 0.000 0.890 134 L HN 0.115 nan 8.230 nan 0.000 0.432 135 P HA -0.132 nan 4.420 nan 0.000 0.214 135 P C 1.350 178.653 177.300 0.006 0.000 1.162 135 P CA 1.537 64.577 63.100 -0.101 0.000 0.879 135 P CB -0.171 31.399 31.700 -0.217 0.000 0.786 136 H N -0.364 118.745 119.070 0.065 0.000 2.293 136 H HA -0.039 4.517 4.556 0.000 0.000 0.300 136 H C 2.007 177.434 175.328 0.165 0.000 1.082 136 H CA 1.605 57.716 56.048 0.104 0.000 1.308 136 H CB -1.296 28.521 29.762 0.092 0.000 1.375 136 H HN 0.030 nan 8.280 nan 0.000 0.495 137 A N 1.687 124.668 122.820 0.269 0.000 1.892 137 A HA -0.171 4.149 4.320 0.000 0.000 0.218 137 A C 2.479 180.181 177.584 0.197 0.000 1.188 137 A CA 1.761 53.941 52.037 0.239 0.000 0.631 137 A CB -0.636 18.295 19.000 -0.115 0.000 0.822 137 A HN 0.222 nan 8.150 nan 0.000 0.447 138 I N 0.152 120.786 120.570 0.105 0.000 2.208 138 I HA -0.236 3.934 4.170 0.000 0.000 0.245 138 I C 2.360 178.573 176.117 0.159 0.000 1.097 138 I CA 1.681 63.041 61.300 0.100 0.000 1.363 138 I CB -1.777 36.255 38.000 0.053 0.000 1.051 138 I HN 0.488 nan 8.210 nan 0.000 0.413 139 E N 0.179 120.494 120.200 0.191 0.000 2.038 139 E HA -0.268 4.082 4.350 0.000 0.000 0.195 139 E C 2.183 178.937 176.600 0.257 0.000 1.000 139 E CA 1.381 57.905 56.400 0.207 0.000 0.803 139 E CB -0.378 29.454 29.700 0.220 0.000 0.750 139 E HN 0.348 nan 8.360 nan 0.000 0.448 140 F N 1.722 121.769 119.950 0.162 0.000 2.095 140 F HA -0.188 4.339 4.527 0.000 0.000 0.298 140 F C 2.002 177.895 175.800 0.155 0.000 1.104 140 F CA 1.320 59.425 58.000 0.176 0.000 1.232 140 F CB -0.369 38.754 39.000 0.204 0.000 0.987 140 F HN -0.089 nan 8.300 nan 0.000 0.475 141 I N 0.514 121.065 120.570 -0.031 0.000 2.530 141 I HA -0.331 3.839 4.170 0.000 0.000 0.257 141 I C 1.873 177.934 176.117 -0.093 0.000 1.179 141 I CA 1.107 62.349 61.300 -0.096 0.000 1.440 141 I CB -0.615 37.446 38.000 0.101 0.000 1.087 141 I HN 0.234 nan 8.210 nan 0.000 0.440 142 N N 0.241 118.937 118.700 -0.006 0.000 2.333 142 N HA -0.143 4.597 4.740 0.000 0.000 0.178 142 N C 1.816 177.289 175.510 -0.062 0.000 1.018 142 N CA 0.744 53.800 53.050 0.011 0.000 0.882 142 N CB -0.097 38.496 38.487 0.177 0.000 0.984 142 N HN 0.498 nan 8.380 nan 0.000 0.434 143 Q N 0.113 119.893 119.800 -0.034 0.000 2.016 143 Q HA -0.158 4.182 4.340 0.000 0.000 0.200 143 Q C 1.999 177.815 176.000 -0.307 0.000 0.978 143 Q CA 1.164 56.967 55.803 -0.001 0.000 0.833 143 Q CB -0.143 28.747 28.738 0.252 0.000 0.895 143 Q HN 0.413 nan 8.270 nan 0.000 0.427 144 Y N -0.524 119.300 120.300 -0.794 0.000 2.145 144 Y HA -0.291 4.259 4.550 0.000 0.000 0.286 144 Y C 1.598 176.820 175.900 -1.128 0.000 1.145 144 Y CA 1.822 59.064 58.100 -1.429 0.000 1.148 144 Y CB -0.190 37.382 38.460 -1.480 0.000 0.981 144 Y HN 0.193 nan 8.280 nan 0.000 0.507 145 Y N -0.253 119.572 120.300 -0.792 0.000 2.373 145 Y HA 0.084 4.634 4.550 0.000 0.000 0.293 145 Y C 2.210 177.891 175.900 -0.364 0.000 1.129 145 Y CA 1.152 58.858 58.100 -0.656 0.000 1.226 145 Y CB -0.390 37.611 38.460 -0.764 0.000 1.000 145 Y HN 0.183 nan 8.280 nan 0.000 0.549 146 G N -1.689 106.988 108.800 -0.206 0.000 3.678 146 G HA2 0.144 4.104 3.960 0.000 0.000 0.287 146 G HA3 0.144 4.104 3.960 0.000 0.000 0.287 146 G C 1.123 175.958 174.900 -0.109 0.000 1.280 146 G CA 0.465 45.543 45.100 -0.037 0.000 1.118 146 G HN 0.267 nan 8.290 nan 0.000 0.563 147 S N 0.409 115.903 115.700 -0.343 0.000 2.431 147 S HA 0.322 4.792 4.470 0.000 0.000 0.210 147 S C 1.047 175.579 174.600 -0.115 0.000 1.013 147 S CA -0.408 57.590 58.200 -0.337 0.000 0.920 147 S CB -0.312 62.425 63.200 -0.771 0.000 0.882 147 S HN 0.355 nan 8.310 nan 0.000 0.567 148 F N 2.136 121.987 119.950 -0.164 0.000 2.440 148 F HA 0.467 4.994 4.527 0.000 0.000 0.323 148 F C 0.464 176.228 175.800 -0.060 0.000 1.192 148 F CA -1.286 56.658 58.000 -0.094 0.000 1.252 148 F CB 0.271 39.195 39.000 -0.126 0.000 1.214 148 F HN 0.060 nan 8.300 nan 0.000 0.578 149 K N 1.819 122.340 120.400 0.202 0.000 2.380 149 K HA -0.025 4.295 4.320 0.000 0.000 0.267 149 K C -0.137 176.458 176.600 -0.009 0.000 0.990 149 K CA 0.187 56.520 56.287 0.077 0.000 0.946 149 K CB 0.263 32.788 32.500 0.040 0.000 0.937 149 K HN 0.927 nan 8.250 nan 0.000 0.491 150 E N 0.367 120.558 120.200 -0.015 0.000 2.912 150 E HA -0.249 4.101 4.350 0.000 0.000 0.194 150 E C -0.829 175.700 176.600 -0.118 0.000 1.990 150 E CA 0.401 56.766 56.400 -0.058 0.000 0.758 150 E CB -1.576 28.078 29.700 -0.077 0.000 1.013 150 E HN 0.663 nan 8.360 nan 0.000 0.334 151 A N 3.919 126.724 122.820 -0.025 0.000 2.455 151 A HA 0.170 4.490 4.320 0.000 0.000 0.244 151 A C 0.478 178.035 177.584 -0.045 0.000 1.099 151 A CA 0.348 52.396 52.037 0.018 0.000 0.786 151 A CB 0.417 19.495 19.000 0.130 0.000 1.051 151 A HN 0.559 nan 8.150 nan 0.000 0.508 152 K N 1.226 121.648 120.400 0.037 0.000 2.800 152 K HA 0.308 4.628 4.320 0.000 0.000 0.185 152 K C 0.420 177.046 176.600 0.043 0.000 1.082 152 K CA -0.145 56.152 56.287 0.017 0.000 0.978 152 K CB 0.376 32.896 32.500 0.032 0.000 1.364 152 K HN 0.643 nan 8.250 nan 0.000 0.592 153 I N 0.432 121.018 120.570 0.027 0.000 2.181 153 I HA -0.377 3.793 4.170 0.000 0.000 0.247 153 I C 2.456 178.537 176.117 -0.060 0.000 1.081 153 I CA 1.344 62.639 61.300 -0.008 0.000 1.340 153 I CB -0.142 37.837 38.000 -0.034 0.000 1.036 153 I HN 0.528 nan 8.210 nan 0.000 0.417 154 E N 1.223 121.394 120.200 -0.049 0.000 2.049 154 E HA -0.252 4.098 4.350 0.000 0.000 0.198 154 E C 2.059 178.613 176.600 -0.076 0.000 1.007 154 E CA 1.718 58.086 56.400 -0.054 0.000 0.809 154 E CB -0.116 29.566 29.700 -0.031 0.000 0.749 154 E HN 0.536 nan 8.360 nan 0.000 0.450 155 E N -0.798 119.358 120.200 -0.073 0.000 2.077 155 E HA -0.194 4.156 4.350 0.000 0.000 0.193 155 E C 2.132 178.464 176.600 -0.447 0.000 0.989 155 E CA 0.940 57.270 56.400 -0.116 0.000 0.800 155 E CB -0.257 29.491 29.700 0.080 0.000 0.746 155 E HN 0.460 nan 8.360 nan 0.000 0.452 156 H N 0.195 118.781 119.070 -0.807 0.000 2.254 156 H HA -0.195 4.361 4.556 0.000 0.000 0.294 156 H C 2.076 177.110 175.328 -0.489 0.000 1.071 156 H CA 1.458 56.883 56.048 -1.037 0.000 1.228 156 H CB 0.086 29.543 29.762 -0.509 0.000 1.358 156 H HN 0.028 nan 8.280 nan 0.000 0.495 157 L N 0.792 121.912 121.223 -0.172 0.000 2.127 157 L HA -0.165 4.175 4.340 0.000 0.000 0.211 157 L C 2.827 179.643 176.870 -0.091 0.000 1.089 157 L CA 1.634 56.381 54.840 -0.155 0.000 0.757 157 L CB -1.021 40.941 42.059 -0.162 0.000 0.899 157 L HN 0.468 nan 8.230 nan 0.000 0.434 158 A N -0.586 122.176 122.820 -0.097 0.000 1.855 158 A HA -0.223 4.097 4.320 0.000 0.000 0.215 158 A C 2.479 180.049 177.584 -0.023 0.000 1.191 158 A CA 1.681 53.687 52.037 -0.051 0.000 0.613 158 A CB -0.462 18.515 19.000 -0.038 0.000 0.829 158 A HN 0.303 nan 8.150 nan 0.000 0.442 159 R N 0.060 120.534 120.500 -0.043 0.000 2.073 159 R HA -0.007 4.333 4.340 0.000 0.000 0.234 159 R C 1.943 178.276 176.300 0.055 0.000 1.134 159 R CA 1.609 57.744 56.100 0.057 0.000 0.952 159 R CB -1.029 29.381 30.300 0.183 0.000 0.850 159 R HN 0.512 nan 8.270 nan 0.000 0.433 160 L N 0.524 121.769 121.223 0.038 0.000 2.021 160 L HA -0.248 4.092 4.340 0.000 0.000 0.215 160 L C 2.656 179.528 176.870 0.003 0.000 1.074 160 L CA 1.963 56.828 54.840 0.043 0.000 0.760 160 L CB -0.589 41.495 42.059 0.042 0.000 0.889 160 L HN 0.399 nan 8.230 nan 0.000 0.433 161 E N 0.279 120.474 120.200 -0.008 0.000 2.015 161 E HA -0.232 4.118 4.350 0.000 0.000 0.191 161 E C 2.161 178.759 176.600 -0.003 0.000 0.991 161 E CA 1.499 57.891 56.400 -0.013 0.000 0.802 161 E CB -0.067 29.623 29.700 -0.017 0.000 0.759 161 E HN 0.421 nan 8.360 nan 0.000 0.447 162 A N 0.766 123.594 122.820 0.014 0.000 1.986 162 A HA -0.167 4.153 4.320 0.000 0.000 0.220 162 A C 2.545 180.149 177.584 0.033 0.000 1.171 162 A CA 1.827 53.883 52.037 0.031 0.000 0.640 162 A CB -0.637 18.395 19.000 0.053 0.000 0.811 162 A HN 0.215 nan 8.150 nan 0.000 0.451 163 V N -0.583 119.342 119.914 0.018 0.000 2.346 163 V HA -0.183 3.937 4.120 0.000 0.000 0.244 163 V C 2.721 178.743 176.094 -0.119 0.000 1.037 163 V CA 2.307 64.583 62.300 -0.040 0.000 1.029 163 V CB -1.339 30.435 31.823 -0.082 0.000 0.663 163 V HN 0.614 nan 8.190 nan 0.000 0.454 164 T N 0.163 114.663 114.554 -0.091 0.000 2.635 164 T HA -0.319 4.031 4.350 0.000 0.000 0.267 164 T C 1.900 176.568 174.700 -0.055 0.000 1.040 164 T CA 2.159 64.207 62.100 -0.086 0.000 1.156 164 T CB -0.277 68.558 68.868 -0.054 0.000 0.863 164 T HN 0.463 nan 8.240 nan 0.000 0.430 165 K N 1.112 121.496 120.400 -0.027 0.000 2.009 165 K HA -0.215 4.105 4.320 0.000 0.000 0.210 165 K C 2.414 179.016 176.600 0.004 0.000 1.049 165 K CA 1.934 58.216 56.287 -0.008 0.000 0.929 165 K CB -0.206 32.295 32.500 0.003 0.000 0.714 165 K HN 0.440 nan 8.250 nan 0.000 0.440 166 E N 0.427 120.638 120.200 0.018 0.000 2.130 166 E HA -0.222 4.128 4.350 0.000 0.000 0.196 166 E C 1.964 178.593 176.600 0.048 0.000 0.998 166 E CA 1.697 58.127 56.400 0.050 0.000 0.806 166 E CB -0.112 29.645 29.700 0.096 0.000 0.738 166 E HN 0.439 nan 8.360 nan 0.000 0.459 167 I N 1.269 121.843 120.570 0.007 0.000 2.179 167 I HA -0.272 3.898 4.170 0.000 0.000 0.242 167 I C 2.568 178.690 176.117 0.008 0.000 1.088 167 I CA 1.690 62.992 61.300 0.004 0.000 1.357 167 I CB -0.598 37.353 38.000 -0.081 0.000 1.051 167 I HN 0.272 nan 8.210 nan 0.000 0.409 168 E N 1.025 121.221 120.200 -0.006 0.000 2.274 168 E HA -0.175 4.175 4.350 0.000 0.000 0.194 168 E C 1.817 178.421 176.600 0.008 0.000 0.996 168 E CA 1.735 58.134 56.400 -0.003 0.000 0.840 168 E CB -0.344 29.349 29.700 -0.010 0.000 0.772 168 E HN 0.571 nan 8.360 nan 0.000 0.491 169 T N -1.449 113.114 114.554 0.015 0.000 3.010 169 T HA -0.028 4.322 4.350 0.000 0.000 0.252 169 T C 2.162 176.878 174.700 0.027 0.000 1.047 169 T CA 1.090 63.202 62.100 0.020 0.000 1.140 169 T CB -0.062 68.820 68.868 0.022 0.000 0.885 169 T HN 0.305 nan 8.240 nan 0.000 0.464 170 T N -2.358 112.219 114.554 0.038 0.000 3.034 170 T HA 0.579 4.929 4.350 0.000 0.000 0.248 170 T C 1.904 176.630 174.700 0.043 0.000 1.040 170 T CA 0.957 63.084 62.100 0.045 0.000 1.107 170 T CB 0.099 69.004 68.868 0.062 0.000 0.932 170 T HN 0.793 nan 8.240 nan 0.000 0.474 171 G N 0.556 109.384 108.800 0.047 0.000 2.953 171 G HA2 -0.165 3.795 3.960 0.000 0.000 0.201 171 G HA3 -0.165 3.795 3.960 0.000 0.000 0.201 171 G C 0.384 175.328 174.900 0.072 0.000 1.501 171 G CA 0.401 45.526 45.100 0.043 0.000 1.094 171 G HN 0.840 nan 8.290 nan 0.000 0.555 172 T N -0.255 114.356 114.554 0.096 0.000 2.855 172 T HA 0.743 5.093 4.350 0.000 0.000 0.275 172 T C -0.520 174.346 174.700 0.276 0.000 1.022 172 T CA 0.700 62.897 62.100 0.161 0.000 0.977 172 T CB 1.196 70.105 68.868 0.069 0.000 1.559 172 T HN 1.705 nan 8.240 nan 0.000 0.600 173 Y N -0.989 119.321 120.300 0.016 0.000 2.677 173 Y HA 0.673 5.223 4.550 0.000 0.000 0.334 173 Y C -1.616 174.311 175.900 0.044 0.000 1.196 173 Y CA -1.342 56.780 58.100 0.036 0.000 1.059 173 Y CB 0.663 39.155 38.460 0.054 0.000 1.315 173 Y HN 0.381 nan 8.280 nan 0.000 0.455 174 Q N 2.557 122.360 119.800 0.006 0.000 2.282 174 Q HA 0.532 4.872 4.340 0.000 0.000 0.260 174 Q C -0.931 175.044 176.000 -0.041 0.000 0.964 174 Q CA -0.761 54.999 55.803 -0.071 0.000 0.880 174 Q CB 2.735 31.485 28.738 0.019 0.000 1.286 174 Q HN 0.843 nan 8.270 nan 0.000 0.445 175 L N 1.707 122.890 121.223 -0.066 0.000 2.350 175 L HA 0.310 4.650 4.340 0.000 0.000 0.275 175 L C 0.998 177.873 176.870 0.008 0.000 1.099 175 L CA -0.656 54.192 54.840 0.013 0.000 0.808 175 L CB 0.869 42.961 42.059 0.054 0.000 1.149 175 L HN 0.660 nan 8.230 nan 0.000 0.442 176 T N -0.473 114.071 114.554 -0.016 0.000 2.926 176 T HA 0.036 4.386 4.350 0.000 0.000 0.307 176 T C 1.099 175.763 174.700 -0.060 0.000 1.059 176 T CA -0.662 61.419 62.100 -0.032 0.000 1.122 176 T CB 0.923 69.762 68.868 -0.048 0.000 0.972 176 T HN 0.498 nan 8.240 nan 0.000 0.545 177 L N 1.382 122.586 121.223 -0.032 0.000 2.051 177 L HA -0.110 4.230 4.340 0.000 0.000 0.214 177 L C 2.011 178.853 176.870 -0.047 0.000 1.076 177 L CA 2.086 56.904 54.840 -0.036 0.000 0.758 177 L CB -1.256 40.793 42.059 -0.016 0.000 0.890 177 L HN 0.866 nan 8.230 nan 0.000 0.433 178 D N -0.664 119.706 120.400 -0.051 0.000 2.117 178 D HA -0.187 4.453 4.640 0.000 0.000 0.197 178 D C 2.118 178.335 176.300 -0.139 0.000 0.987 178 D CA 1.503 55.487 54.000 -0.027 0.000 0.829 178 D CB 0.029 40.864 40.800 0.059 0.000 0.961 178 D HN 0.540 nan 8.370 nan 0.000 0.460 179 E N -0.357 119.583 120.200 -0.434 0.000 2.077 179 E HA -0.173 4.177 4.350 0.000 0.000 0.193 179 E C 1.989 178.626 176.600 0.062 0.000 0.989 179 E CA 0.430 56.533 56.400 -0.496 0.000 0.800 179 E CB -0.100 29.325 29.700 -0.459 0.000 0.746 179 E HN 0.165 nan 8.360 nan 0.000 0.452 180 L N 1.301 122.521 121.223 -0.006 0.000 2.012 180 L HA -0.176 4.164 4.340 0.000 0.000 0.210 180 L C 2.057 178.906 176.870 -0.035 0.000 1.073 180 L CA 1.552 56.365 54.840 -0.045 0.000 0.748 180 L CB -0.337 41.652 42.059 -0.117 0.000 0.891 180 L HN 0.141 nan 8.230 nan 0.000 0.431 181 I N -1.360 119.208 120.570 -0.004 0.000 2.163 181 I HA -0.356 3.814 4.170 0.000 0.000 0.243 181 I C 2.404 178.578 176.117 0.096 0.000 1.085 181 I CA 1.866 63.173 61.300 0.012 0.000 1.347 181 I CB -0.463 37.553 38.000 0.026 0.000 1.044 181 I HN 0.318 nan 8.210 nan 0.000 0.408 182 F N 1.675 121.654 119.950 0.049 0.000 2.171 182 F HA -0.233 4.294 4.527 0.000 0.000 0.300 182 F C 2.437 178.322 175.800 0.142 0.000 1.090 182 F CA 1.408 59.491 58.000 0.138 0.000 1.293 182 F CB -0.210 38.929 39.000 0.232 0.000 1.013 182 F HN 0.005 nan 8.300 nan 0.000 0.486 183 A N 0.198 123.116 122.820 0.164 0.000 1.877 183 A HA -0.219 4.101 4.320 0.000 0.000 0.216 183 A C 2.297 179.746 177.584 -0.223 0.000 1.186 183 A CA 2.653 54.650 52.037 -0.066 0.000 0.620 183 A CB -1.650 17.276 19.000 -0.122 0.000 0.822 183 A HN 0.538 nan 8.150 nan 0.000 0.443 184 T N -1.397 113.063 114.554 -0.157 0.000 2.708 184 T HA -0.181 4.169 4.350 0.000 0.000 0.266 184 T C 1.834 176.535 174.700 0.002 0.000 1.037 184 T CA 1.668 63.705 62.100 -0.104 0.000 1.146 184 T CB -0.409 68.418 68.868 -0.068 0.000 0.865 184 T HN 0.522 nan 8.240 nan 0.000 0.435 185 K N 0.239 120.665 120.400 0.043 0.000 2.063 185 K HA 0.007 4.327 4.320 0.000 0.000 0.208 185 K C 2.575 179.261 176.600 0.143 0.000 1.048 185 K CA 1.394 57.815 56.287 0.223 0.000 0.928 185 K CB -0.271 32.355 32.500 0.209 0.000 0.713 185 K HN 0.250 nan 8.250 nan 0.000 0.442 186 M N 0.449 119.938 119.600 -0.185 0.000 2.059 186 M HA -0.100 4.380 4.480 0.000 0.000 0.259 186 M C 2.508 178.629 176.300 -0.298 0.000 1.072 186 M CA 1.614 56.698 55.300 -0.360 0.000 1.117 186 M CB -1.168 31.112 32.600 -0.533 0.000 1.320 186 M HN 0.185 nan 8.290 nan 0.000 0.408 187 A N -0.527 122.072 122.820 -0.370 0.000 1.948 187 A HA -0.244 4.076 4.320 0.000 0.000 0.220 187 A C 2.008 179.384 177.584 -0.346 0.000 1.177 187 A CA 1.877 53.563 52.037 -0.585 0.000 0.636 187 A CB -1.256 17.012 19.000 -1.220 0.000 0.815 187 A HN 0.714 nan 8.150 nan 0.000 0.449 188 W N 0.738 121.897 121.300 -0.233 0.000 2.378 188 W HA -0.127 4.533 4.660 0.000 0.000 0.313 188 W C 2.347 178.750 176.519 -0.194 0.000 1.197 188 W CA 1.537 58.820 57.345 -0.105 0.000 1.304 188 W CB -0.842 28.573 29.460 -0.075 0.000 1.148 188 W HN 0.367 nan 8.180 nan 0.000 0.494 189 R N 0.364 120.774 120.500 -0.150 0.000 2.117 189 R HA -0.202 4.138 4.340 0.000 0.000 0.243 189 R C 1.082 177.199 176.300 -0.305 0.000 1.143 189 R CA 1.865 57.701 56.100 -0.441 0.000 0.968 189 R CB -0.606 29.241 30.300 -0.755 0.000 0.863 189 R HN 0.093 nan 8.270 nan 0.000 0.444 190 N N 0.029 118.575 118.700 -0.256 0.000 2.313 190 N HA 0.074 4.814 4.740 0.000 0.000 0.207 190 N C -0.932 174.427 175.510 -0.251 0.000 1.141 190 N CA 0.397 53.318 53.050 -0.214 0.000 0.830 190 N CB 1.189 39.584 38.487 -0.154 0.000 1.008 190 N HN 0.168 nan 8.380 nan 0.000 0.481 191 A N 1.915 124.593 122.820 -0.236 0.000 2.506 191 A HA 0.304 4.624 4.320 0.000 0.000 0.320 191 A C -1.101 176.369 177.584 -0.191 0.000 1.424 191 A CA -1.218 50.640 52.037 -0.298 0.000 1.044 191 A CB 0.626 19.517 19.000 -0.182 0.000 1.140 191 A HN -0.023 nan 8.150 nan 0.000 0.538 192 P HA -0.166 nan 4.420 nan 0.000 0.223 192 P C 0.857 178.078 177.300 -0.132 0.000 1.144 192 P CA 1.080 64.102 63.100 -0.131 0.000 0.783 192 P CB 0.237 31.866 31.700 -0.119 0.000 0.771 193 R N -1.639 118.747 120.500 -0.189 0.000 2.290 193 R HA 0.135 4.475 4.340 0.000 0.000 0.197 193 R C 1.006 177.277 176.300 -0.048 0.000 0.913 193 R CA -0.154 55.874 56.100 -0.120 0.000 1.040 193 R CB -0.371 29.718 30.300 -0.351 0.000 0.992 193 R HN 0.173 nan 8.270 nan 0.000 0.500 194 C N 0.787 120.035 119.300 -0.088 0.000 2.536 194 C HA 0.281 4.741 4.460 0.000 0.000 0.396 194 C C 1.728 176.645 174.990 -0.121 0.000 1.279 194 C CA -0.461 58.534 59.018 -0.038 0.000 2.148 194 C CB -0.055 27.731 27.740 0.075 0.000 2.584 194 C HN 0.530 nan 8.230 nan 0.000 0.579 195 I N 3.276 123.778 120.570 -0.113 0.000 4.057 195 I HA 0.265 4.435 4.170 0.000 0.000 0.334 195 I C 1.710 177.847 176.117 0.033 0.000 1.308 195 I CA 0.573 61.764 61.300 -0.181 0.000 1.125 195 I CB 0.106 37.985 38.000 -0.202 0.000 1.034 195 I HN 0.869 nan 8.210 nan 0.000 0.401 196 G N 0.649 109.468 108.800 0.032 0.000 3.448 196 G HA2 0.078 4.038 3.960 0.000 0.000 0.261 196 G HA3 0.078 4.038 3.960 0.000 0.000 0.261 196 G C 1.082 175.922 174.900 -0.101 0.000 1.173 196 G CA -0.369 44.739 45.100 0.013 0.000 0.835 196 G HN 0.221 nan 8.290 nan 0.000 0.534 197 R N -0.006 120.363 120.500 -0.218 0.000 2.341 197 R HA 0.036 4.376 4.340 0.000 0.000 0.213 197 R C 1.879 177.596 176.300 -0.972 0.000 1.082 197 R CA 0.282 55.943 56.100 -0.731 0.000 1.017 197 R CB -0.254 29.704 30.300 -0.570 0.000 0.860 197 R HN 0.480 nan 8.270 nan 0.000 0.473 198 I N 1.094 121.291 120.570 -0.622 0.000 2.756 198 I HA -0.203 3.967 4.170 0.000 0.000 0.262 198 I C 1.472 177.442 176.117 -0.244 0.000 1.225 198 I CA 1.134 62.233 61.300 -0.335 0.000 1.472 198 I CB 0.163 38.134 38.000 -0.048 0.000 1.094 198 I HN 0.134 nan 8.210 nan 0.000 0.454 199 Q N 0.537 120.109 119.800 -0.381 0.000 2.403 199 Q HA -0.098 4.242 4.340 0.000 0.000 0.203 199 Q C 1.641 177.188 176.000 -0.755 0.000 0.932 199 Q CA 0.390 55.979 55.803 -0.357 0.000 0.945 199 Q CB -0.194 28.491 28.738 -0.088 0.000 1.045 199 Q HN 0.787 nan 8.270 nan 0.000 0.511 200 W N 1.411 121.909 121.300 -1.337 0.000 2.303 200 W HA -0.275 4.385 4.660 0.000 0.000 0.287 200 W C 1.281 177.549 176.519 -0.418 0.000 1.213 200 W CA 1.613 58.138 57.345 -1.366 0.000 1.203 200 W CB -1.270 27.575 29.460 -1.025 0.000 1.136 200 W HN 0.162 nan 8.180 nan 0.000 0.547 201 S N 0.584 115.530 115.700 -1.256 0.000 2.446 201 S HA -0.044 4.426 4.470 0.000 0.000 0.225 201 S C 0.565 174.943 174.600 -0.369 0.000 1.016 201 S CA 0.357 57.958 58.200 -0.999 0.000 0.943 201 S CB -1.046 61.478 63.200 -1.126 0.000 0.786 201 S HN 0.380 nan 8.310 nan 0.000 0.508 202 N N 1.755 120.329 118.700 -0.210 0.000 2.602 202 N HA 0.517 5.257 4.740 0.000 0.000 0.238 202 N C -1.427 174.150 175.510 0.113 0.000 1.084 202 N CA -0.306 52.729 53.050 -0.025 0.000 0.952 202 N CB 0.854 39.355 38.487 0.024 0.000 1.244 202 N HN 0.250 nan 8.380 nan 0.000 0.512 203 L N 1.802 123.054 121.223 0.048 0.000 2.528 203 L HA 0.269 4.609 4.340 0.000 0.000 0.267 203 L C -0.995 175.796 176.870 -0.131 0.000 0.961 203 L CA -0.744 54.100 54.840 0.007 0.000 0.866 203 L CB 1.837 43.946 42.059 0.085 0.000 1.248 203 L HN 0.275 nan 8.230 nan 0.000 0.404 204 Q N 2.990 122.653 119.800 -0.228 0.000 2.304 204 Q HA 0.554 4.894 4.340 0.000 0.000 0.260 204 Q C -1.520 174.066 176.000 -0.689 0.000 0.965 204 Q CA 0.072 55.583 55.803 -0.486 0.000 0.898 204 Q CB 1.268 29.579 28.738 -0.712 0.000 1.196 204 Q HN 0.529 nan 8.270 nan 0.000 0.402 205 V N 5.753 125.290 119.914 -0.628 0.000 2.409 205 V HA 0.431 4.551 4.120 0.000 0.000 0.291 205 V C -0.936 174.846 176.094 -0.520 0.000 1.020 205 V CA -0.663 61.319 62.300 -0.530 0.000 0.848 205 V CB 0.817 32.474 31.823 -0.276 0.000 0.990 205 V HN 0.627 nan 8.190 nan 0.000 0.430 206 F N 2.531 122.309 119.950 -0.287 0.000 2.361 206 F HA 0.389 4.916 4.527 0.000 0.000 0.364 206 F C 0.459 176.085 175.800 -0.290 0.000 1.117 206 F CA -1.561 56.273 58.000 -0.276 0.000 1.071 206 F CB 1.008 39.836 39.000 -0.287 0.000 1.188 206 F HN 0.448 nan 8.300 nan 0.000 0.464 207 D N 3.189 123.566 120.400 -0.038 0.000 2.359 207 D HA 0.365 5.005 4.640 0.000 0.000 0.250 207 D C 0.267 176.459 176.300 -0.181 0.000 1.264 207 D CA 0.216 54.143 54.000 -0.121 0.000 0.911 207 D CB 0.959 41.717 40.800 -0.069 0.000 1.056 207 D HN 0.600 nan 8.370 nan 0.000 0.499 208 A N 4.615 127.227 122.820 -0.347 0.000 2.637 208 A HA 0.154 4.474 4.320 0.000 0.000 0.293 208 A C 1.691 179.130 177.584 -0.242 0.000 1.216 208 A CA -0.399 51.331 52.037 -0.511 0.000 0.956 208 A CB 0.066 18.387 19.000 -1.131 0.000 1.174 208 A HN 0.531 nan 8.150 nan 0.000 0.525 209 R N 0.549 120.963 120.500 -0.143 0.000 2.241 209 R HA -0.162 4.178 4.340 0.000 0.000 0.224 209 R C 1.233 177.496 176.300 -0.061 0.000 1.101 209 R CA 1.649 57.705 56.100 -0.074 0.000 0.995 209 R CB -0.170 30.128 30.300 -0.005 0.000 0.870 209 R HN 0.823 nan 8.270 nan 0.000 0.463 210 N N -0.658 118.029 118.700 -0.023 0.000 2.422 210 N HA -0.050 4.690 4.740 0.000 0.000 0.181 210 N C 0.630 176.184 175.510 0.074 0.000 1.080 210 N CA -0.077 52.992 53.050 0.032 0.000 0.893 210 N CB -0.130 38.390 38.487 0.056 0.000 0.973 210 N HN 0.025 nan 8.380 nan 0.000 0.456 211 C N 0.564 119.908 119.300 0.073 0.000 2.741 211 C HA 0.302 4.762 4.460 0.000 0.000 0.403 211 C C 1.629 176.756 174.990 0.228 0.000 1.282 211 C CA 0.706 59.840 59.018 0.193 0.000 2.053 211 C CB 0.031 27.931 27.740 0.267 0.000 2.731 211 C HN 0.704 nan 8.230 nan 0.000 0.680 212 S N 0.296 116.196 115.700 0.334 0.000 2.551 212 S HA 0.193 4.663 4.470 0.000 0.000 0.276 212 S C 0.059 174.801 174.600 0.237 0.000 1.051 212 S CA 0.449 58.879 58.200 0.383 0.000 1.377 212 S CB -0.313 63.020 63.200 0.222 0.000 1.208 212 S HN 1.225 nan 8.310 nan 0.000 0.656 213 T N -1.523 113.147 114.554 0.194 0.000 2.907 213 T HA 0.852 5.202 4.350 0.000 0.000 0.290 213 T C 1.240 175.980 174.700 0.066 0.000 1.066 213 T CA -0.081 62.070 62.100 0.085 0.000 1.012 213 T CB 1.371 70.288 68.868 0.082 0.000 1.184 213 T HN 0.354 nan 8.240 nan 0.000 0.522 214 A N 0.581 123.426 122.820 0.041 0.000 1.873 214 A HA -0.033 4.287 4.320 0.000 0.000 0.215 214 A C 2.300 179.873 177.584 -0.018 0.000 1.186 214 A CA 2.111 54.171 52.037 0.039 0.000 0.616 214 A CB -1.406 17.728 19.000 0.223 0.000 0.823 214 A HN 0.918 nan 8.150 nan 0.000 0.442 215 Q N 0.293 120.193 119.800 0.166 0.000 2.197 215 Q HA -0.211 4.129 4.340 0.000 0.000 0.207 215 Q C 1.712 177.764 176.000 0.088 0.000 0.984 215 Q CA 2.359 58.261 55.803 0.165 0.000 0.869 215 Q CB -0.410 28.467 28.738 0.231 0.000 0.906 215 Q HN 0.768 nan 8.270 nan 0.000 0.426 216 E N -0.806 119.453 120.200 0.097 0.000 2.152 216 E HA -0.117 4.233 4.350 0.000 0.000 0.192 216 E C 1.979 178.698 176.600 0.198 0.000 0.983 216 E CA 1.085 57.561 56.400 0.125 0.000 0.818 216 E CB -0.084 29.723 29.700 0.180 0.000 0.758 216 E HN 0.492 nan 8.360 nan 0.000 0.467 217 M N 0.033 119.705 119.600 0.119 0.000 2.077 217 M HA -0.123 4.357 4.480 0.000 0.000 0.261 217 M C 2.234 178.592 176.300 0.097 0.000 1.070 217 M CA 1.245 56.601 55.300 0.093 0.000 1.125 217 M CB -0.403 32.037 32.600 -0.267 0.000 1.339 217 M HN 0.108 nan 8.290 nan 0.000 0.409 218 F N 1.611 121.367 119.950 -0.323 0.000 2.147 218 F HA -0.324 4.203 4.527 0.000 0.000 0.301 218 F C 2.283 178.000 175.800 -0.139 0.000 1.084 218 F CA 1.992 59.757 58.000 -0.392 0.000 1.268 218 F CB -0.380 38.100 39.000 -0.866 0.000 1.009 218 F HN 0.192 nan 8.300 nan 0.000 0.486 219 Q N -1.122 118.596 119.800 -0.136 0.000 2.046 219 Q HA -0.207 4.133 4.340 0.000 0.000 0.200 219 Q C 2.242 178.118 176.000 -0.206 0.000 0.975 219 Q CA 1.617 57.287 55.803 -0.221 0.000 0.836 219 Q CB -0.465 28.183 28.738 -0.151 0.000 0.896 219 Q HN 0.513 nan 8.270 nan 0.000 0.428 220 H N 0.108 119.156 119.070 -0.035 0.000 2.387 220 H HA -0.081 4.475 4.556 0.000 0.000 0.299 220 H C 2.064 177.371 175.328 -0.035 0.000 1.090 220 H CA 1.196 57.228 56.048 -0.027 0.000 1.332 220 H CB 0.033 29.876 29.762 0.135 0.000 1.386 220 H HN 0.268 nan 8.280 nan 0.000 0.516 221 I N -0.375 120.263 120.570 0.113 0.000 2.286 221 I HA -0.254 3.916 4.170 0.000 0.000 0.245 221 I C 2.610 178.670 176.117 -0.095 0.000 1.104 221 I CA 0.589 61.901 61.300 0.019 0.000 1.397 221 I CB -0.158 37.829 38.000 -0.023 0.000 1.072 221 I HN 0.201 nan 8.210 nan 0.000 0.417 222 C N 0.398 119.534 119.300 -0.273 0.000 2.429 222 C HA -0.155 4.305 4.460 0.000 0.000 0.277 222 C C 2.974 177.883 174.990 -0.136 0.000 1.262 222 C CA 0.943 59.790 59.018 -0.285 0.000 1.733 222 C CB -1.141 26.317 27.740 -0.471 0.000 2.010 222 C HN 0.478 nan 8.230 nan 0.000 0.483 223 R N 0.011 120.421 120.500 -0.150 0.000 2.105 223 R HA -0.196 4.144 4.340 0.000 0.000 0.239 223 R C 2.403 178.663 176.300 -0.068 0.000 1.135 223 R CA 1.779 57.780 56.100 -0.165 0.000 0.967 223 R CB -0.690 29.427 30.300 -0.306 0.000 0.861 223 R HN 0.658 nan 8.270 nan 0.000 0.442 224 H N 1.038 120.052 119.070 -0.093 0.000 2.293 224 H HA -0.101 4.455 4.556 0.000 0.000 0.300 224 H C 2.055 177.477 175.328 0.158 0.000 1.082 224 H CA 2.266 58.402 56.048 0.146 0.000 1.308 224 H CB -0.307 29.531 29.762 0.127 0.000 1.375 224 H HN 0.255 nan 8.280 nan 0.000 0.495 225 I N 0.228 120.958 120.570 0.267 0.000 2.208 225 I HA -0.287 3.883 4.170 0.000 0.000 0.245 225 I C 2.704 178.902 176.117 0.134 0.000 1.097 225 I CA 0.993 62.386 61.300 0.155 0.000 1.363 225 I CB -0.308 37.699 38.000 0.012 0.000 1.051 225 I HN 0.186 nan 8.210 nan 0.000 0.413 226 L N 0.072 121.350 121.223 0.092 0.000 2.046 226 L HA -0.260 4.080 4.340 0.000 0.000 0.208 226 L C 2.465 179.393 176.870 0.097 0.000 1.077 226 L CA 1.883 56.761 54.840 0.064 0.000 0.747 226 L CB -0.926 41.146 42.059 0.023 0.000 0.896 226 L HN 0.257 nan 8.230 nan 0.000 0.432 227 Y N 0.016 120.354 120.300 0.063 0.000 2.114 227 Y HA -0.197 4.353 4.550 0.000 0.000 0.284 227 Y C 2.406 178.366 175.900 0.101 0.000 1.143 227 Y CA 2.052 60.214 58.100 0.103 0.000 1.135 227 Y CB -0.661 37.942 38.460 0.238 0.000 0.980 227 Y HN 0.220 nan 8.280 nan 0.000 0.499 228 A N -0.296 122.680 122.820 0.260 0.000 1.873 228 A HA -0.243 4.077 4.320 0.000 0.000 0.218 228 A C 2.228 179.838 177.584 0.043 0.000 1.193 228 A CA 2.647 54.780 52.037 0.160 0.000 0.629 228 A CB -1.504 17.675 19.000 0.297 0.000 0.826 228 A HN 0.552 nan 8.150 nan 0.000 0.447 229 T N -0.315 114.275 114.554 0.059 0.000 2.684 229 T HA -0.166 4.184 4.350 0.000 0.000 0.267 229 T C 1.148 175.838 174.700 -0.015 0.000 1.036 229 T CA 1.484 63.607 62.100 0.038 0.000 1.148 229 T CB -0.497 68.395 68.868 0.040 0.000 0.863 229 T HN 0.654 nan 8.240 nan 0.000 0.436 230 N N 1.728 120.389 118.700 -0.064 0.000 2.707 230 N HA -0.262 4.478 4.740 0.000 0.000 0.253 230 N C 0.046 175.521 175.510 -0.059 0.000 0.998 230 N CA 0.910 53.901 53.050 -0.099 0.000 0.751 230 N CB -2.144 36.236 38.487 -0.179 0.000 0.920 230 N HN 0.662 nan 8.380 nan 0.000 0.539 231 N N -1.710 116.968 118.700 -0.036 0.000 2.735 231 N HA -0.254 4.486 4.740 0.000 0.000 0.248 231 N C 0.934 176.424 175.510 -0.034 0.000 1.083 231 N CA 1.200 54.232 53.050 -0.031 0.000 0.703 231 N CB -1.199 37.268 38.487 -0.033 0.000 1.005 231 N HN 1.025 nan 8.380 nan 0.000 0.550 232 G N 0.236 109.022 108.800 -0.023 0.000 2.308 232 G HA2 -0.327 3.633 3.960 0.000 0.000 0.221 232 G HA3 -0.327 3.633 3.960 0.000 0.000 0.221 232 G C -0.040 174.850 174.900 -0.016 0.000 1.032 232 G CA 0.280 45.368 45.100 -0.020 0.000 0.623 232 G HN 0.599 nan 8.290 nan 0.000 0.506 233 N N 1.917 120.593 118.700 -0.040 0.000 2.739 233 N HA 0.354 5.094 4.740 0.000 0.000 0.266 233 N C 0.558 176.043 175.510 -0.041 0.000 1.168 233 N CA -0.726 52.288 53.050 -0.060 0.000 1.055 233 N CB -0.132 38.310 38.487 -0.074 0.000 1.393 233 N HN 0.215 nan 8.380 nan 0.000 0.514 234 I N 2.406 122.983 120.570 0.011 0.000 2.775 234 I HA -0.036 4.134 4.170 0.000 0.000 0.290 234 I C 0.812 177.020 176.117 0.151 0.000 1.203 234 I CA 0.796 62.160 61.300 0.105 0.000 1.433 234 I CB 0.105 38.248 38.000 0.239 0.000 1.354 234 I HN 0.438 nan 8.210 nan 0.000 0.579 235 R N 3.695 124.262 120.500 0.113 0.000 2.534 235 R HA 0.390 4.730 4.340 0.000 0.000 0.301 235 R C -0.440 175.966 176.300 0.176 0.000 0.961 235 R CA -0.618 55.560 56.100 0.130 0.000 0.871 235 R CB 1.937 32.170 30.300 -0.112 0.000 1.170 235 R HN 0.557 nan 8.270 nan 0.000 0.446 236 S N 1.483 117.283 115.700 0.166 0.000 2.549 236 S HA 0.539 5.009 4.470 0.000 0.000 0.279 236 S C -0.385 174.187 174.600 -0.046 0.000 1.321 236 S CA -0.255 57.939 58.200 -0.011 0.000 1.054 236 S CB 1.304 64.414 63.200 -0.150 0.000 0.899 236 S HN 0.696 nan 8.310 nan 0.000 0.497 237 A N 2.876 125.612 122.820 -0.140 0.000 2.610 237 A HA 0.833 5.153 4.320 0.000 0.000 0.291 237 A C -1.382 176.034 177.584 -0.280 0.000 1.086 237 A CA -0.641 51.178 52.037 -0.364 0.000 0.677 237 A CB 1.189 19.849 19.000 -0.566 0.000 1.278 237 A HN 0.785 nan 8.150 nan 0.000 0.414 238 I N 0.447 120.784 120.570 -0.388 0.000 2.692 238 I HA 0.542 4.712 4.170 0.000 0.000 0.293 238 I C -1.111 174.910 176.117 -0.160 0.000 1.200 238 I CA -0.108 61.140 61.300 -0.087 0.000 1.036 238 I CB 2.363 40.300 38.000 -0.104 0.000 1.258 238 I HN 0.608 nan 8.210 nan 0.000 0.421 239 T N 6.389 120.975 114.554 0.053 0.000 2.758 239 T HA 0.407 4.757 4.350 0.000 0.000 0.285 239 T C -0.551 173.926 174.700 -0.371 0.000 0.981 239 T CA -0.298 61.732 62.100 -0.116 0.000 0.965 239 T CB 1.324 70.156 68.868 -0.061 0.000 0.927 239 T HN 0.258 nan 8.240 nan 0.000 0.448 240 V N 5.589 125.256 119.914 -0.412 0.000 2.364 240 V HA 0.428 4.548 4.120 0.000 0.000 0.272 240 V C -0.187 175.654 176.094 -0.421 0.000 1.036 240 V CA -0.669 61.400 62.300 -0.385 0.000 0.880 240 V CB -0.045 31.535 31.823 -0.405 0.000 0.991 240 V HN 0.770 nan 8.190 nan 0.000 0.460 241 F N 5.175 125.069 119.950 -0.093 0.000 2.375 241 F HA 0.441 4.968 4.527 0.000 0.000 0.317 241 F C -1.748 173.949 175.800 -0.173 0.000 1.124 241 F CA -2.498 55.378 58.000 -0.207 0.000 1.050 241 F CB 0.695 39.594 39.000 -0.168 0.000 1.314 241 F HN 0.305 nan 8.300 nan 0.000 0.511 242 P HA -0.059 nan 4.420 nan 0.000 0.262 242 P C -1.023 176.243 177.300 -0.058 0.000 1.182 242 P CA 0.070 63.013 63.100 -0.262 0.000 0.761 242 P CB 0.209 31.518 31.700 -0.651 0.000 0.795 243 Q N 3.552 123.282 119.800 -0.117 0.000 2.584 243 Q HA 0.053 4.393 4.340 0.000 0.000 0.235 243 Q C 0.169 176.061 176.000 -0.180 0.000 1.079 243 Q CA -0.370 55.149 55.803 -0.473 0.000 0.977 243 Q CB 0.621 28.752 28.738 -1.012 0.000 1.293 243 Q HN 0.341 nan 8.270 nan 0.000 0.553 244 R N 0.542 120.928 120.500 -0.189 0.000 2.438 244 R HA 0.070 4.410 4.340 0.000 0.000 0.287 244 R C 0.154 176.420 176.300 -0.057 0.000 1.077 244 R CA 0.622 56.696 56.100 -0.043 0.000 1.034 244 R CB 0.685 30.962 30.300 -0.037 0.000 0.993 244 R HN 0.923 nan 8.270 nan 0.000 0.459 245 S N 2.524 118.229 115.700 0.009 0.000 2.885 245 S HA -0.042 4.428 4.470 0.000 0.000 0.172 245 S C 1.048 175.630 174.600 -0.031 0.000 0.703 245 S CA 0.432 58.628 58.200 -0.007 0.000 0.820 245 S CB -0.375 62.846 63.200 0.034 0.000 0.766 245 S HN 0.816 nan 8.310 nan 0.000 0.605 246 D N -0.209 120.153 120.400 -0.064 0.000 2.216 246 D HA 0.427 5.067 4.640 0.000 0.000 0.208 246 D C 1.510 177.771 176.300 -0.065 0.000 0.960 246 D CA 1.017 54.961 54.000 -0.093 0.000 0.861 246 D CB -0.275 40.414 40.800 -0.185 0.000 0.985 246 D HN 0.771 nan 8.370 nan 0.000 0.493 247 G N 0.059 108.834 108.800 -0.041 0.000 3.288 247 G HA2 -0.230 3.730 3.960 0.000 0.000 0.195 247 G HA3 -0.230 3.730 3.960 0.000 0.000 0.195 247 G C 1.021 175.940 174.900 0.032 0.000 1.093 247 G CA -0.020 45.078 45.100 -0.003 0.000 0.852 247 G HN 0.208 nan 8.290 nan 0.000 0.453 248 K N 0.445 120.853 120.400 0.014 0.000 2.486 248 K HA 0.116 4.436 4.320 0.000 0.000 0.194 248 K C 0.032 176.831 176.600 0.332 0.000 1.033 248 K CA 0.541 56.893 56.287 0.109 0.000 1.004 248 K CB 0.011 32.556 32.500 0.075 0.000 0.798 248 K HN 0.426 nan 8.250 nan 0.000 0.495 249 H N 0.901 119.983 119.070 0.020 0.000 2.410 249 H HA 0.280 4.836 4.556 0.000 0.000 0.232 249 H C -1.122 174.246 175.328 0.067 0.000 1.535 249 H CA -1.050 55.013 56.048 0.025 0.000 1.310 249 H CB -0.060 29.730 29.762 0.046 0.000 1.518 249 H HN -0.048 nan 8.280 nan 0.000 0.545 250 D N 0.901 121.390 120.400 0.147 0.000 2.256 250 D HA 0.218 4.858 4.640 0.000 0.000 0.246 250 D C -0.230 176.128 176.300 0.097 0.000 1.042 250 D CA -0.456 53.643 54.000 0.164 0.000 0.841 250 D CB 1.279 42.159 40.800 0.133 0.000 1.223 250 D HN 0.095 nan 8.370 nan 0.000 0.470 251 F N 2.279 122.268 119.950 0.064 0.000 2.411 251 F HA 0.427 4.954 4.527 0.000 0.000 0.350 251 F C 0.871 176.705 175.800 0.057 0.000 1.114 251 F CA -0.164 57.847 58.000 0.019 0.000 1.135 251 F CB 0.809 39.812 39.000 0.005 0.000 1.120 251 F HN -0.139 nan 8.300 nan 0.000 0.495 252 R N 3.704 124.305 120.500 0.168 0.000 2.584 252 R HA 0.445 4.785 4.340 0.000 0.000 0.276 252 R C -1.797 174.662 176.300 0.266 0.000 1.046 252 R CA -1.077 55.152 56.100 0.215 0.000 0.906 252 R CB 2.132 32.563 30.300 0.217 0.000 1.215 252 R HN 0.476 nan 8.270 nan 0.000 0.449 253 L N 1.837 123.210 121.223 0.248 0.000 2.275 253 L HA 0.353 4.693 4.340 0.000 0.000 0.288 253 L C 0.737 177.855 176.870 0.414 0.000 1.046 253 L CA -0.084 54.913 54.840 0.262 0.000 0.805 253 L CB 0.654 42.800 42.059 0.145 0.000 1.193 253 L HN 0.577 nan 8.230 nan 0.000 0.426 254 W N 0.482 121.871 121.300 0.149 0.000 2.770 254 W HA 0.078 4.738 4.660 0.000 0.000 0.256 254 W C 0.552 177.246 176.519 0.293 0.000 1.291 254 W CA -0.529 57.010 57.345 0.324 0.000 1.396 254 W CB -0.876 28.854 29.460 0.449 0.000 1.114 254 W HN 0.476 nan 8.180 nan 0.000 0.637 255 N N -0.072 118.768 118.700 0.234 0.000 2.482 255 N HA 0.024 4.764 4.740 0.000 0.000 0.260 255 N C 1.387 176.772 175.510 -0.209 0.000 1.236 255 N CA 0.770 53.664 53.050 -0.259 0.000 0.938 255 N CB 0.731 39.110 38.487 -0.180 0.000 1.128 255 N HN -0.129 nan 8.380 nan 0.000 0.448 256 S N 0.494 115.998 115.700 -0.327 0.000 2.387 256 S HA -0.126 4.344 4.470 0.000 0.000 0.226 256 S C 0.318 174.818 174.600 -0.166 0.000 1.026 256 S CA 0.631 58.735 58.200 -0.161 0.000 0.972 256 S CB -0.422 62.706 63.200 -0.119 0.000 0.814 256 S HN 0.778 nan 8.310 nan 0.000 0.477 257 Q N -1.085 118.587 119.800 -0.213 0.000 2.435 257 Q HA 0.503 4.843 4.340 0.000 0.000 0.282 257 Q C -0.263 175.582 176.000 -0.259 0.000 1.020 257 Q CA -1.013 54.652 55.803 -0.231 0.000 0.820 257 Q CB 0.809 29.441 28.738 -0.176 0.000 1.436 257 Q HN -0.039 nan 8.270 nan 0.000 0.395 258 L N 0.846 121.906 121.223 -0.270 0.000 1.987 258 L HA -0.133 4.207 4.340 0.000 0.000 0.230 258 L C 0.824 177.512 176.870 -0.303 0.000 1.089 258 L CA 2.055 56.742 54.840 -0.256 0.000 0.802 258 L CB -0.606 41.289 42.059 -0.273 0.000 0.905 258 L HN 0.718 nan 8.230 nan 0.000 0.441 259 I N -1.443 118.863 120.570 -0.439 0.000 2.359 259 I HA 0.424 4.594 4.170 0.000 0.000 0.294 259 I C 0.089 175.539 176.117 -1.112 0.000 0.987 259 I CA -0.120 60.759 61.300 -0.702 0.000 1.225 259 I CB 1.493 39.027 38.000 -0.776 0.000 1.366 259 I HN 0.113 nan 8.210 nan 0.000 0.466 260 R N 4.260 124.224 120.500 -0.894 0.000 2.629 260 R HA 0.480 4.820 4.340 0.000 0.000 0.266 260 R C -1.892 174.146 176.300 -0.437 0.000 1.051 260 R CA -0.676 55.017 56.100 -0.678 0.000 0.895 260 R CB 1.050 31.167 30.300 -0.304 0.000 1.246 260 R HN 0.305 nan 8.270 nan 0.000 0.459 261 Y N 1.107 121.389 120.300 -0.030 0.000 2.307 261 Y HA 0.615 5.165 4.550 0.000 0.000 0.324 261 Y C 0.726 176.635 175.900 0.014 0.000 1.238 261 Y CA -0.280 57.855 58.100 0.058 0.000 1.280 261 Y CB 1.491 40.096 38.460 0.242 0.000 1.248 261 Y HN 0.720 nan 8.280 nan 0.000 0.508 262 A N 1.041 123.940 122.820 0.132 0.000 2.340 262 A HA 0.663 4.983 4.320 0.000 0.000 0.268 262 A C 0.365 177.727 177.584 -0.370 0.000 1.100 262 A CA 0.045 51.967 52.037 -0.191 0.000 0.803 262 A CB -0.045 18.758 19.000 -0.328 0.000 1.043 262 A HN 0.914 nan 8.150 nan 0.000 0.488 263 G N 0.816 109.368 108.800 -0.413 0.000 2.605 263 G HA2 0.556 4.516 3.960 0.000 0.000 0.304 263 G HA3 0.556 4.516 3.960 0.000 0.000 0.304 263 G C -1.058 173.658 174.900 -0.306 0.000 1.333 263 G CA -0.238 44.680 45.100 -0.304 0.000 0.973 263 G HN 0.539 nan 8.290 nan 0.000 0.507 264 Y N 0.723 121.069 120.300 0.078 0.000 2.342 264 Y HA 0.454 5.005 4.550 0.000 0.000 0.334 264 Y C 0.553 176.521 175.900 0.113 0.000 1.067 264 Y CA -1.075 57.093 58.100 0.114 0.000 1.128 264 Y CB 2.094 40.657 38.460 0.172 0.000 1.200 264 Y HN 0.487 nan 8.280 nan 0.000 0.464 265 Q N 3.548 123.506 119.800 0.263 0.000 2.337 265 Q HA 0.259 4.599 4.340 0.000 0.000 0.255 265 Q C -0.776 175.330 176.000 0.176 0.000 0.997 265 Q CA -0.298 55.606 55.803 0.169 0.000 0.925 265 Q CB 0.445 29.257 28.738 0.123 0.000 1.212 265 Q HN 0.552 nan 8.270 nan 0.000 0.436 266 M N 5.813 125.492 119.600 0.131 0.000 2.198 266 M HA 0.147 4.627 4.480 0.000 0.000 0.315 266 M C -1.415 174.902 176.300 0.029 0.000 1.134 266 M CA -2.043 53.301 55.300 0.074 0.000 1.171 266 M CB -0.015 32.616 32.600 0.051 0.000 1.413 266 M HN 0.566 nan 8.290 nan 0.000 0.467 267 P HA -0.169 nan 4.420 nan 0.000 0.215 267 P C 0.398 177.691 177.300 -0.011 0.000 1.157 267 P CA 1.535 64.621 63.100 -0.023 0.000 0.863 267 P CB -0.327 31.338 31.700 -0.058 0.000 0.787 268 D N -0.925 119.467 120.400 -0.013 0.000 2.355 268 D HA 0.015 4.655 4.640 0.000 0.000 0.253 268 D C 1.434 177.736 176.300 0.004 0.000 1.187 268 D CA 0.777 54.773 54.000 -0.007 0.000 0.900 268 D CB -0.923 39.870 40.800 -0.011 0.000 0.915 268 D HN 0.345 nan 8.370 nan 0.000 0.516 269 G N 0.809 109.617 108.800 0.012 0.000 2.458 269 G HA2 -0.364 3.596 3.960 0.000 0.000 0.237 269 G HA3 -0.364 3.596 3.960 0.000 0.000 0.237 269 G C 0.691 175.607 174.900 0.027 0.000 1.113 269 G CA 0.706 45.817 45.100 0.019 0.000 0.655 269 G HN 0.824 nan 8.290 nan 0.000 0.513 270 T N 0.063 114.632 114.554 0.024 0.000 2.906 270 T HA 0.491 4.841 4.350 0.000 0.000 0.320 270 T C 0.484 175.209 174.700 0.042 0.000 1.088 270 T CA 0.205 62.322 62.100 0.027 0.000 1.120 270 T CB 0.997 69.878 68.868 0.020 0.000 1.000 270 T HN 0.708 nan 8.240 nan 0.000 0.550 271 I N 2.496 123.087 120.570 0.035 0.000 2.355 271 I HA 0.379 4.549 4.170 0.000 0.000 0.288 271 I C 0.771 176.901 176.117 0.023 0.000 0.999 271 I CA -0.838 60.487 61.300 0.042 0.000 1.163 271 I CB 1.347 39.362 38.000 0.025 0.000 1.316 271 I HN 0.582 nan 8.210 nan 0.000 0.454 272 R N 3.787 124.331 120.500 0.074 0.000 2.428 272 R HA 0.692 5.032 4.340 0.000 0.000 0.294 272 R C 0.531 176.836 176.300 0.008 0.000 1.000 272 R CA 0.196 56.332 56.100 0.059 0.000 0.960 272 R CB 1.721 32.113 30.300 0.153 0.000 1.076 272 R HN 0.912 nan 8.270 nan 0.000 0.475 273 G N 1.914 110.625 108.800 -0.148 0.000 2.499 273 G HA2 -0.264 3.696 3.960 0.000 0.000 0.232 273 G HA3 -0.264 3.696 3.960 0.000 0.000 0.232 273 G C -1.024 173.534 174.900 -0.570 0.000 1.251 273 G CA -0.217 44.725 45.100 -0.264 0.000 0.917 273 G HN 0.598 nan 8.290 nan 0.000 0.580 274 D N 1.753 122.001 120.400 -0.254 0.000 2.411 274 D HA 0.597 5.237 4.640 0.000 0.000 0.225 274 D C 1.528 177.803 176.300 -0.042 0.000 1.156 274 D CA 0.828 54.758 54.000 -0.117 0.000 0.874 274 D CB 0.653 41.679 40.800 0.377 0.000 1.034 274 D HN 0.933 nan 8.370 nan 0.000 0.502 275 A N 3.733 126.507 122.820 -0.076 0.000 2.032 275 A HA -0.155 4.165 4.320 0.000 0.000 0.221 275 A C 2.045 179.672 177.584 0.072 0.000 1.165 275 A CA 1.837 53.876 52.037 0.003 0.000 0.645 275 A CB -0.252 18.754 19.000 0.011 0.000 0.807 275 A HN 0.600 nan 8.150 nan 0.000 0.453 276 A N -0.573 122.319 122.820 0.119 0.000 2.066 276 A HA 0.026 4.346 4.320 0.000 0.000 0.218 276 A C 2.069 179.744 177.584 0.151 0.000 1.157 276 A CA 1.913 54.045 52.037 0.159 0.000 0.670 276 A CB -0.840 18.278 19.000 0.196 0.000 0.804 276 A HN 0.822 nan 8.150 nan 0.000 0.453 277 T N -2.890 111.739 114.554 0.124 0.000 3.186 277 T HA 0.369 4.719 4.350 0.000 0.000 0.257 277 T C 1.381 176.132 174.700 0.085 0.000 1.029 277 T CA -0.011 62.158 62.100 0.114 0.000 0.916 277 T CB -0.375 68.549 68.868 0.094 0.000 1.041 277 T HN 0.242 nan 8.240 nan 0.000 0.562 278 L N 0.701 121.964 121.223 0.066 0.000 1.971 278 L HA -0.132 4.208 4.340 0.000 0.000 0.215 278 L C 2.945 179.838 176.870 0.039 0.000 1.072 278 L CA 2.232 57.097 54.840 0.042 0.000 0.758 278 L CB -0.428 41.665 42.059 0.056 0.000 0.889 278 L HN 0.430 nan 8.230 nan 0.000 0.433 279 E N -0.473 119.762 120.200 0.059 0.000 2.051 279 E HA -0.286 4.064 4.350 0.000 0.000 0.192 279 E C 2.134 178.680 176.600 -0.091 0.000 0.991 279 E CA 1.442 57.848 56.400 0.010 0.000 0.799 279 E CB -0.144 29.597 29.700 0.068 0.000 0.748 279 E HN 0.375 nan 8.360 nan 0.000 0.449 280 F N 0.999 120.829 119.950 -0.199 0.000 2.186 280 F HA -0.142 4.385 4.527 0.000 0.000 0.299 280 F C 2.271 177.942 175.800 -0.214 0.000 1.090 280 F CA 1.645 59.462 58.000 -0.306 0.000 1.307 280 F CB -0.299 38.569 39.000 -0.219 0.000 1.019 280 F HN -0.030 nan 8.300 nan 0.000 0.489 281 T N -0.272 114.250 114.554 -0.053 0.000 2.788 281 T HA -0.244 4.106 4.350 0.000 0.000 0.268 281 T C 1.736 176.377 174.700 -0.099 0.000 1.044 281 T CA 1.553 63.584 62.100 -0.114 0.000 1.139 281 T CB -0.264 68.543 68.868 -0.102 0.000 0.867 281 T HN 0.235 nan 8.240 nan 0.000 0.454 282 Q N 0.826 120.571 119.800 -0.092 0.000 2.046 282 Q HA -0.023 4.317 4.340 0.000 0.000 0.200 282 Q C 2.127 178.046 176.000 -0.135 0.000 0.975 282 Q CA 1.174 56.943 55.803 -0.056 0.000 0.836 282 Q CB -0.825 27.888 28.738 -0.041 0.000 0.896 282 Q HN 0.410 nan 8.270 nan 0.000 0.428 283 L N -0.184 120.862 121.223 -0.294 0.000 2.043 283 L HA -0.215 4.125 4.340 0.000 0.000 0.212 283 L C 2.146 178.845 176.870 -0.285 0.000 1.075 283 L CA 1.905 56.547 54.840 -0.331 0.000 0.752 283 L CB -0.972 40.745 42.059 -0.570 0.000 0.891 283 L HN 0.401 nan 8.230 nan 0.000 0.432 284 C N -0.683 118.386 119.300 -0.386 0.000 2.425 284 C HA -0.115 4.345 4.460 0.000 0.000 0.277 284 C C 2.691 177.730 174.990 0.082 0.000 1.280 284 C CA 0.375 59.259 59.018 -0.224 0.000 1.744 284 C CB -0.912 26.579 27.740 -0.415 0.000 1.989 284 C HN 0.558 nan 8.230 nan 0.000 0.491 285 I N 1.491 122.133 120.570 0.119 0.000 2.142 285 I HA -0.139 4.031 4.170 0.000 0.000 0.240 285 I C 2.090 178.234 176.117 0.046 0.000 1.078 285 I CA 1.822 63.211 61.300 0.147 0.000 1.343 285 I CB -1.579 36.492 38.000 0.118 0.000 1.046 285 I HN 0.318 nan 8.210 nan 0.000 0.405 286 D N 0.934 121.329 120.400 -0.009 0.000 2.221 286 D HA -0.130 4.510 4.640 0.000 0.000 0.204 286 D C 2.086 178.355 176.300 -0.051 0.000 0.982 286 D CA 0.947 54.921 54.000 -0.043 0.000 0.857 286 D CB -0.148 40.608 40.800 -0.074 0.000 0.934 286 D HN 0.336 nan 8.370 nan 0.000 0.475 287 L N -0.855 120.347 121.223 -0.036 0.000 2.612 287 L HA 0.234 4.574 4.340 0.000 0.000 0.230 287 L C 1.380 178.240 176.870 -0.015 0.000 1.140 287 L CA 0.357 55.177 54.840 -0.033 0.000 0.896 287 L CB -0.002 42.032 42.059 -0.041 0.000 1.065 287 L HN 0.138 nan 8.230 nan 0.000 0.447 288 G N -1.011 107.795 108.800 0.010 0.000 2.179 288 G HA2 -0.287 3.673 3.960 0.000 0.000 0.220 288 G HA3 -0.287 3.673 3.960 0.000 0.000 0.220 288 G C -0.200 174.731 174.900 0.052 0.000 0.990 288 G CA -0.426 44.678 45.100 0.007 0.000 0.646 288 G HN 0.329 nan 8.290 nan 0.000 0.517 289 W N 4.122 125.373 121.300 -0.083 0.000 2.238 289 W HA 0.600 5.260 4.660 0.000 0.000 0.321 289 W C 0.714 177.204 176.519 -0.048 0.000 1.293 289 W CA -0.526 56.780 57.345 -0.065 0.000 1.204 289 W CB 0.777 30.201 29.460 -0.061 0.000 1.167 289 W HN 0.131 nan 8.180 nan 0.000 0.553 290 K N 8.021 127.953 120.400 -0.780 0.000 2.263 290 K HA 0.287 4.607 4.320 0.000 0.000 0.282 290 K C -2.592 173.219 176.600 -1.314 0.000 1.089 290 K CA -1.732 54.098 56.287 -0.761 0.000 0.907 290 K CB 0.586 32.807 32.500 -0.465 0.000 1.148 290 K HN 0.322 nan 8.250 nan 0.000 0.470 291 P HA 0.167 nan 4.420 nan 0.000 0.271 291 P C -0.403 176.388 177.300 -0.848 0.000 1.226 291 P CA -0.255 62.210 63.100 -1.058 0.000 0.765 291 P CB 0.587 31.731 31.700 -0.928 0.000 0.835 292 R N 2.177 122.314 120.500 -0.606 0.000 2.426 292 R HA 0.119 4.459 4.340 0.000 0.000 0.263 292 R C -0.061 176.077 176.300 -0.270 0.000 0.961 292 R CA -0.511 55.417 56.100 -0.286 0.000 1.086 292 R CB -0.594 29.653 30.300 -0.089 0.000 1.186 292 R HN 0.446 nan 8.270 nan 0.000 0.537 293 Y N 0.478 120.304 120.300 -0.789 0.000 3.010 293 Y HA -0.302 4.248 4.550 0.000 0.000 0.208 293 Y C 0.967 176.692 175.900 -0.292 0.000 1.265 293 Y CA 0.576 58.115 58.100 -0.936 0.000 0.797 293 Y CB -1.415 36.718 38.460 -0.545 0.000 1.228 293 Y HN 0.296 nan 8.280 nan 0.000 0.393 294 G N 0.300 109.165 108.800 0.108 0.000 2.798 294 G HA2 0.589 4.549 3.960 0.000 0.000 0.286 294 G HA3 0.589 4.549 3.960 0.000 0.000 0.286 294 G C 0.238 175.269 174.900 0.218 0.000 1.389 294 G CA -1.127 44.083 45.100 0.185 0.000 0.894 294 G HN 0.267 nan 8.290 nan 0.000 0.488 295 R N -1.275 119.230 120.500 0.009 0.000 2.127 295 R HA 0.119 4.459 4.340 0.000 0.000 0.217 295 R C 0.023 176.006 176.300 -0.528 0.000 1.074 295 R CA 0.968 56.898 56.100 -0.283 0.000 0.991 295 R CB -0.006 29.992 30.300 -0.503 0.000 0.895 295 R HN 0.338 nan 8.270 nan 0.000 0.450 296 F N 0.933 120.877 119.950 -0.010 0.000 2.597 296 F HA 0.255 4.782 4.527 0.000 0.000 0.336 296 F C -0.783 175.004 175.800 -0.022 0.000 1.432 296 F CA -1.226 56.525 58.000 -0.415 0.000 1.120 296 F CB 0.573 39.200 39.000 -0.621 0.000 1.253 296 F HN -0.303 nan 8.300 nan 0.000 0.546 297 D N 1.590 122.197 120.400 0.345 0.000 2.347 297 D HA 0.194 4.834 4.640 0.000 0.000 0.235 297 D C 0.174 176.762 176.300 0.480 0.000 1.149 297 D CA 0.057 54.321 54.000 0.440 0.000 0.850 297 D CB 2.229 43.353 40.800 0.539 0.000 1.061 297 D HN -0.064 nan 8.370 nan 0.000 0.487 298 V N 4.052 124.218 119.914 0.421 0.000 2.493 298 V HA -0.040 4.080 4.120 0.000 0.000 0.292 298 V C 1.204 177.358 176.094 0.101 0.000 1.016 298 V CA -0.187 62.238 62.300 0.209 0.000 1.097 298 V CB -0.049 31.834 31.823 0.102 0.000 0.947 298 V HN 0.356 nan 8.190 nan 0.000 0.479 299 L N 8.253 129.428 121.223 -0.081 0.000 2.482 299 L HA 0.241 4.581 4.340 0.000 0.000 0.273 299 L C -1.612 175.094 176.870 -0.274 0.000 1.228 299 L CA -1.129 53.523 54.840 -0.314 0.000 0.827 299 L CB 0.510 42.442 42.059 -0.213 0.000 1.099 299 L HN 0.482 nan 8.230 nan 0.000 0.494 300 P HA 0.131 nan 4.420 nan 0.000 0.279 300 P C -0.990 176.297 177.300 -0.021 0.000 1.252 300 P CA -0.703 62.266 63.100 -0.219 0.000 0.811 300 P CB 1.285 32.729 31.700 -0.426 0.000 1.035 301 L N 2.440 123.733 121.223 0.116 0.000 2.313 301 L HA 0.163 4.503 4.340 0.000 0.000 0.282 301 L C -0.146 176.852 176.870 0.214 0.000 1.092 301 L CA -0.076 54.869 54.840 0.175 0.000 0.831 301 L CB 0.553 42.764 42.059 0.253 0.000 1.159 301 L HN 0.090 nan 8.230 nan 0.000 0.442 302 V N 6.447 126.483 119.914 0.203 0.000 2.275 302 V HA 0.376 4.496 4.120 0.000 0.000 0.272 302 V C -0.290 175.826 176.094 0.037 0.000 1.028 302 V CA -0.745 61.623 62.300 0.113 0.000 0.810 302 V CB 1.024 32.937 31.823 0.150 0.000 1.043 302 V HN 0.374 nan 8.190 nan 0.000 0.453 303 L N 5.032 126.262 121.223 0.011 0.000 2.334 303 L HA 0.676 5.016 4.340 0.000 0.000 0.273 303 L C -0.081 176.673 176.870 -0.195 0.000 1.013 303 L CA -0.716 54.086 54.840 -0.064 0.000 0.816 303 L CB 1.598 43.611 42.059 -0.077 0.000 1.278 303 L HN 0.851 nan 8.230 nan 0.000 0.431 304 Q N 1.014 120.692 119.800 -0.202 0.000 2.309 304 Q HA 0.846 5.186 4.340 0.000 0.000 0.270 304 Q C -1.163 174.657 176.000 -0.299 0.000 1.023 304 Q CA -0.638 55.013 55.803 -0.255 0.000 0.758 304 Q CB 2.099 30.700 28.738 -0.229 0.000 1.247 304 Q HN 0.685 nan 8.270 nan 0.000 0.455 305 A N 2.531 125.109 122.820 -0.404 0.000 2.306 305 A HA 0.623 4.943 4.320 0.000 0.000 0.330 305 A C 0.146 177.187 177.584 -0.905 0.000 1.146 305 A CA 0.281 51.817 52.037 -0.834 0.000 0.827 305 A CB 0.807 19.515 19.000 -0.487 0.000 1.178 305 A HN 1.019 nan 8.150 nan 0.000 0.490 306 D N 0.311 119.760 120.400 -1.585 0.000 4.541 306 D HA -0.259 4.381 4.640 0.000 0.000 0.226 306 D C 1.188 177.233 176.300 -0.425 0.000 0.548 306 D CA 3.779 57.340 54.000 -0.732 0.000 1.208 306 D CB -1.343 39.208 40.800 -0.415 0.000 0.737 306 D HN 1.140 nan 8.370 nan 0.000 0.401 307 G N -1.178 107.419 108.800 -0.339 0.000 2.578 307 G HA2 0.232 4.192 3.960 0.000 0.000 0.184 307 G HA3 0.232 4.192 3.960 0.000 0.000 0.184 307 G C 0.092 174.942 174.900 -0.084 0.000 1.289 307 G CA 0.415 45.425 45.100 -0.151 0.000 0.847 307 G HN 0.390 nan 8.290 nan 0.000 0.880 308 Q N 1.592 121.304 119.800 -0.148 0.000 2.539 308 Q HA 0.198 4.538 4.340 0.000 0.000 0.268 308 Q C -0.117 175.839 176.000 -0.074 0.000 1.109 308 Q CA 0.418 56.165 55.803 -0.094 0.000 0.968 308 Q CB 0.464 29.135 28.738 -0.112 0.000 1.309 308 Q HN 0.206 nan 8.270 nan 0.000 0.497 309 D N 1.812 122.178 120.400 -0.056 0.000 2.400 309 D HA 0.066 4.706 4.640 0.000 0.000 0.238 309 D C -2.122 173.988 176.300 -0.317 0.000 1.157 309 D CA -0.864 53.038 54.000 -0.164 0.000 0.889 309 D CB -0.035 40.780 40.800 0.025 0.000 1.199 309 D HN 0.314 nan 8.370 nan 0.000 0.436 310 P HA 0.105 nan 4.420 nan 0.000 0.271 310 P C -0.662 176.428 177.300 -0.350 0.000 1.216 310 P CA -0.009 62.683 63.100 -0.680 0.000 0.771 310 P CB 0.924 31.722 31.700 -1.504 0.000 0.864 311 E N 1.049 121.138 120.200 -0.186 0.000 2.202 311 E HA 0.396 4.746 4.350 0.000 0.000 0.272 311 E C -0.629 175.885 176.600 -0.144 0.000 0.951 311 E CA -1.175 55.127 56.400 -0.164 0.000 0.813 311 E CB 1.783 31.401 29.700 -0.136 0.000 1.151 311 E HN 0.174 nan 8.360 nan 0.000 0.398 312 V N 3.629 123.344 119.914 -0.332 0.000 2.407 312 V HA 0.381 4.501 4.120 0.000 0.000 0.278 312 V C -0.737 175.086 176.094 -0.452 0.000 1.037 312 V CA -0.367 61.807 62.300 -0.209 0.000 0.900 312 V CB 0.068 31.818 31.823 -0.122 0.000 0.983 312 V HN 0.507 nan 8.190 nan 0.000 0.459 313 F N 1.832 121.698 119.950 -0.141 0.000 2.547 313 F HA 0.487 5.014 4.527 0.000 0.000 0.316 313 F C 0.399 176.152 175.800 -0.079 0.000 1.121 313 F CA -0.798 57.031 58.000 -0.285 0.000 0.911 313 F CB 1.741 40.320 39.000 -0.703 0.000 1.179 313 F HN 0.386 nan 8.300 nan 0.000 0.443 314 E N 3.386 123.668 120.200 0.137 0.000 2.283 314 E HA 0.370 4.720 4.350 0.000 0.000 0.278 314 E C -0.483 176.317 176.600 0.333 0.000 1.027 314 E CA -0.559 55.983 56.400 0.236 0.000 0.843 314 E CB 1.750 31.597 29.700 0.245 0.000 1.062 314 E HN 0.471 nan 8.360 nan 0.000 0.401 315 I N 4.505 125.255 120.570 0.300 0.000 2.533 315 I HA 0.065 4.236 4.170 0.000 0.000 0.284 315 I C -2.035 174.212 176.117 0.216 0.000 1.109 315 I CA -1.870 59.597 61.300 0.278 0.000 1.412 315 I CB 0.020 38.093 38.000 0.122 0.000 1.396 315 I HN 0.165 nan 8.210 nan 0.000 0.543 316 P HA 0.055 nan 4.420 nan 0.000 0.261 316 P C -2.002 175.358 177.300 0.100 0.000 1.203 316 P CA -0.792 62.399 63.100 0.152 0.000 0.767 316 P CB 0.143 31.919 31.700 0.125 0.000 0.785 317 P HA -0.213 nan 4.420 nan 0.000 0.218 317 P C 0.699 178.036 177.300 0.062 0.000 1.146 317 P CA 1.412 64.563 63.100 0.086 0.000 0.820 317 P CB -0.013 31.742 31.700 0.091 0.000 0.778 318 D N -1.290 119.143 120.400 0.054 0.000 2.312 318 D HA -0.028 4.612 4.640 0.000 0.000 0.211 318 D C 1.745 178.062 176.300 0.028 0.000 0.964 318 D CA 0.808 54.831 54.000 0.038 0.000 0.877 318 D CB -0.079 40.741 40.800 0.034 0.000 0.924 318 D HN 0.289 nan 8.370 nan 0.000 0.515 319 L N 0.414 121.654 121.223 0.028 0.000 2.375 319 L HA 0.049 4.389 4.340 0.000 0.000 0.215 319 L C 0.638 177.516 176.870 0.014 0.000 1.108 319 L CA 0.200 55.048 54.840 0.014 0.000 0.830 319 L CB 0.501 42.559 42.059 -0.003 0.000 0.959 319 L HN -0.221 nan 8.230 nan 0.000 0.457 320 V N 2.432 122.358 119.914 0.021 0.000 2.322 320 V HA 0.117 4.237 4.120 0.000 0.000 0.258 320 V C 0.042 176.156 176.094 0.033 0.000 1.074 320 V CA -0.440 61.870 62.300 0.017 0.000 0.909 320 V CB 0.926 32.757 31.823 0.013 0.000 1.090 320 V HN 0.062 nan 8.190 nan 0.000 0.486 321 L N 5.743 126.986 121.223 0.033 0.000 2.331 321 L HA 0.495 4.835 4.340 0.000 0.000 0.278 321 L C 0.126 177.012 176.870 0.027 0.000 1.106 321 L CA 0.754 55.606 54.840 0.020 0.000 0.824 321 L CB 0.598 42.663 42.059 0.009 0.000 1.142 321 L HN 0.659 nan 8.230 nan 0.000 0.443 322 E N 3.077 123.275 120.200 -0.004 0.000 2.339 322 E HA 0.686 5.036 4.350 0.000 0.000 0.262 322 E C -1.504 175.020 176.600 -0.126 0.000 0.934 322 E CA -1.099 55.289 56.400 -0.020 0.000 0.802 322 E CB 2.372 32.088 29.700 0.028 0.000 1.275 322 E HN 0.399 nan 8.360 nan 0.000 0.427 323 V N 1.323 121.134 119.914 -0.172 0.000 2.531 323 V HA 0.257 4.377 4.120 0.000 0.000 0.301 323 V C -0.413 175.615 176.094 -0.110 0.000 1.034 323 V CA -0.933 61.212 62.300 -0.258 0.000 0.865 323 V CB 1.705 33.144 31.823 -0.641 0.000 0.995 323 V HN 0.831 nan 8.190 nan 0.000 0.424 324 T N 3.564 118.072 114.554 -0.078 0.000 2.761 324 T HA 0.462 4.812 4.350 0.000 0.000 0.296 324 T C -0.022 174.707 174.700 0.047 0.000 0.934 324 T CA -0.712 61.382 62.100 -0.011 0.000 1.091 324 T CB 0.565 69.432 68.868 -0.002 0.000 0.896 324 T HN 0.320 nan 8.240 nan 0.000 0.515 325 M N 4.386 124.067 119.600 0.135 0.000 2.227 325 M HA 0.248 4.728 4.480 0.000 0.000 0.349 325 M C 0.482 176.966 176.300 0.306 0.000 1.443 325 M CA 0.021 55.470 55.300 0.249 0.000 1.110 325 M CB -0.543 32.303 32.600 0.411 0.000 1.773 325 M HN 0.891 nan 8.290 nan 0.000 0.463 326 E N 2.180 122.499 120.200 0.198 0.000 2.290 326 E HA 0.333 4.683 4.350 0.000 0.000 0.274 326 E C -1.141 175.495 176.600 0.060 0.000 0.889 326 E CA -0.820 55.701 56.400 0.201 0.000 0.760 326 E CB 1.738 31.527 29.700 0.149 0.000 1.206 326 E HN 0.584 nan 8.360 nan 0.000 0.419 327 H N 4.252 123.198 119.070 -0.206 0.000 2.582 327 H HA 0.144 4.700 4.556 0.000 0.000 0.345 327 H C -1.583 173.533 175.328 -0.353 0.000 1.104 327 H CA -1.791 53.990 56.048 -0.444 0.000 1.390 327 H CB 1.701 31.085 29.762 -0.630 0.000 1.461 327 H HN 0.482 nan 8.280 nan 0.000 0.551 328 P HA -0.009 nan 4.420 nan 0.000 0.247 328 P C 0.281 177.442 177.300 -0.231 0.000 1.225 328 P CA 0.673 63.393 63.100 -0.632 0.000 0.768 328 P CB 0.625 31.696 31.700 -1.050 0.000 1.020 329 K N -1.998 118.401 120.400 -0.000 0.000 2.711 329 K HA 0.134 4.454 4.320 0.000 0.000 0.197 329 K C 0.104 176.723 176.600 0.031 0.000 1.535 329 K CA 0.367 56.637 56.287 -0.029 0.000 1.170 329 K CB 0.201 32.630 32.500 -0.118 0.000 1.596 329 K HN 0.047 nan 8.250 nan 0.000 0.584 330 Y N 3.703 123.818 120.300 -0.308 0.000 2.535 330 Y HA 0.217 4.767 4.550 0.000 0.000 0.349 330 Y C 1.411 176.999 175.900 -0.520 0.000 0.992 330 Y CA -0.951 56.727 58.100 -0.704 0.000 1.248 330 Y CB 0.550 38.111 38.460 -1.498 0.000 1.124 330 Y HN -0.035 nan 8.280 nan 0.000 0.520 331 E N 2.900 123.029 120.200 -0.119 0.000 2.153 331 E HA -0.200 4.150 4.350 0.000 0.000 0.194 331 E C 1.861 178.493 176.600 0.053 0.000 0.988 331 E CA 1.066 57.471 56.400 0.009 0.000 0.811 331 E CB -0.211 29.538 29.700 0.082 0.000 0.746 331 E HN 0.893 nan 8.360 nan 0.000 0.466 332 W N -0.395 120.987 121.300 0.137 0.000 2.721 332 W HA 0.012 4.672 4.660 0.000 0.000 0.245 332 W C 1.441 178.021 176.519 0.102 0.000 1.276 332 W CA -0.252 57.140 57.345 0.079 0.000 1.342 332 W CB -1.037 28.424 29.460 0.002 0.000 1.135 332 W HN -0.101 nan 8.180 nan 0.000 0.654 333 F N 2.387 122.200 119.950 -0.227 0.000 2.163 333 F HA -0.173 4.354 4.527 0.000 0.000 0.297 333 F C 2.995 178.827 175.800 0.054 0.000 1.094 333 F CA 2.479 60.410 58.000 -0.114 0.000 1.290 333 F CB -0.499 38.361 39.000 -0.233 0.000 1.017 333 F HN -0.109 nan 8.300 nan 0.000 0.483 334 Q N 0.385 120.323 119.800 0.230 0.000 2.226 334 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 334 Q C 1.639 177.708 176.000 0.114 0.000 0.975 334 Q CA 1.718 57.625 55.803 0.174 0.000 0.866 334 Q CB -0.185 28.637 28.738 0.140 0.000 0.915 334 Q HN 0.514 nan 8.270 nan 0.000 0.440 335 E N -0.233 120.041 120.200 0.123 0.000 2.472 335 E HA -0.124 4.226 4.350 0.000 0.000 0.200 335 E C 1.300 177.939 176.600 0.064 0.000 1.046 335 E CA 0.001 56.464 56.400 0.106 0.000 0.871 335 E CB 0.218 30.004 29.700 0.144 0.000 0.806 335 E HN 0.302 nan 8.360 nan 0.000 0.533 336 L N -0.353 120.875 121.223 0.007 0.000 2.313 336 L HA 0.046 4.386 4.340 0.000 0.000 0.214 336 L C 1.656 178.538 176.870 0.020 0.000 1.119 336 L CA 1.449 56.256 54.840 -0.055 0.000 0.809 336 L CB -1.144 40.748 42.059 -0.278 0.000 0.933 336 L HN 0.277 nan 8.230 nan 0.000 0.449 337 G N -0.036 108.802 108.800 0.063 0.000 2.179 337 G HA2 -0.290 3.670 3.960 0.000 0.000 0.257 337 G HA3 -0.290 3.670 3.960 0.000 0.000 0.257 337 G C 0.408 175.444 174.900 0.226 0.000 1.010 337 G CA 0.372 45.552 45.100 0.133 0.000 0.736 337 G HN 0.328 nan 8.290 nan 0.000 0.513 338 L N -0.538 120.771 121.223 0.143 0.000 2.439 338 L HA 0.747 5.087 4.340 0.000 0.000 0.261 338 L C 0.732 177.596 176.870 -0.009 0.000 1.153 338 L CA 0.016 54.947 54.840 0.152 0.000 0.808 338 L CB 1.365 43.381 42.059 -0.071 0.000 1.126 338 L HN 0.559 nan 8.230 nan 0.000 0.460 339 K N 0.377 120.615 120.400 -0.269 0.000 2.711 339 K HA 0.442 4.762 4.320 0.000 0.000 0.294 339 K C -2.100 174.419 176.600 -0.135 0.000 1.037 339 K CA -1.092 55.057 56.287 -0.231 0.000 0.858 339 K CB 1.636 33.916 32.500 -0.367 0.000 1.521 339 K HN 0.578 nan 8.250 nan 0.000 0.386 340 W N 1.776 122.976 121.300 -0.167 0.000 3.146 340 W HA 0.335 4.995 4.660 0.000 0.000 0.319 340 W C -1.313 175.212 176.519 0.010 0.000 1.258 340 W CA -0.789 56.522 57.345 -0.055 0.000 1.189 340 W CB 1.476 30.770 29.460 -0.277 0.000 1.412 340 W HN 0.687 nan 8.180 nan 0.000 0.567 341 Y N 1.088 121.221 120.300 -0.279 0.000 2.397 341 Y HA 0.498 5.048 4.550 0.000 0.000 0.335 341 Y C 0.781 176.825 175.900 0.241 0.000 1.213 341 Y CA 0.193 58.229 58.100 -0.107 0.000 1.391 341 Y CB 0.203 38.469 38.460 -0.322 0.000 1.293 341 Y HN 0.338 nan 8.280 nan 0.000 0.557 342 A N 2.656 125.673 122.820 0.330 0.000 2.178 342 A HA 0.143 4.463 4.320 0.000 0.000 0.211 342 A C 0.289 178.173 177.584 0.500 0.000 1.157 342 A CA 0.079 52.370 52.037 0.423 0.000 0.780 342 A CB -0.228 18.872 19.000 0.168 0.000 0.828 342 A HN 0.663 nan 8.150 nan 0.000 0.476 343 L N 1.793 123.271 121.223 0.425 0.000 2.276 343 L HA 0.446 4.786 4.340 0.000 0.000 0.286 343 L C -2.621 174.367 176.870 0.196 0.000 1.024 343 L CA -2.156 52.838 54.840 0.257 0.000 0.826 343 L CB 1.674 43.815 42.059 0.137 0.000 1.211 343 L HN -0.072 nan 8.230 nan 0.000 0.422 344 P HA 0.350 nan 4.420 nan 0.000 0.270 344 P C -1.435 175.717 177.300 -0.247 0.000 1.551 344 P CA -0.311 62.573 63.100 -0.360 0.000 1.049 344 P CB 1.206 32.319 31.700 -0.979 0.000 1.397 345 A N 4.399 127.087 122.820 -0.219 0.000 2.363 345 A HA 0.439 4.759 4.320 0.000 0.000 0.296 345 A C -0.132 177.178 177.584 -0.457 0.000 1.237 345 A CA -0.677 51.157 52.037 -0.338 0.000 0.773 345 A CB 0.933 19.753 19.000 -0.300 0.000 1.153 345 A HN 0.274 nan 8.150 nan 0.000 0.473 346 V N 2.252 121.729 119.914 -0.729 0.000 2.521 346 V HA 0.311 4.431 4.120 0.000 0.000 0.286 346 V C 1.266 176.899 176.094 -0.768 0.000 1.034 346 V CA 1.034 62.872 62.300 -0.769 0.000 1.045 346 V CB 0.887 32.068 31.823 -1.070 0.000 0.974 346 V HN 1.061 nan 8.190 nan 0.000 0.480 347 A N 4.082 126.651 122.820 -0.419 0.000 2.382 347 A HA 0.138 4.458 4.320 0.000 0.000 0.228 347 A C 1.238 178.744 177.584 -0.129 0.000 1.217 347 A CA 0.321 52.194 52.037 -0.272 0.000 0.923 347 A CB -0.164 18.723 19.000 -0.189 0.000 0.979 347 A HN 0.926 nan 8.150 nan 0.000 0.515 348 N N -1.022 117.612 118.700 -0.110 0.000 2.275 348 N HA 0.289 5.029 4.740 0.000 0.000 0.236 348 N C 0.005 175.536 175.510 0.035 0.000 1.154 348 N CA -0.254 52.788 53.050 -0.013 0.000 0.866 348 N CB 0.194 38.677 38.487 -0.007 0.000 1.093 348 N HN 0.287 nan 8.380 nan 0.000 0.515 349 M N 1.182 120.800 119.600 0.029 0.000 2.444 349 M HA 0.357 4.837 4.480 0.000 0.000 0.319 349 M C -0.676 175.736 176.300 0.188 0.000 1.183 349 M CA -0.836 54.530 55.300 0.110 0.000 1.032 349 M CB 2.433 35.091 32.600 0.096 0.000 1.569 349 M HN 0.113 nan 8.290 nan 0.000 0.468 350 L N 2.863 124.230 121.223 0.239 0.000 2.313 350 L HA 0.504 4.844 4.340 0.000 0.000 0.283 350 L C -1.326 175.753 176.870 0.349 0.000 1.013 350 L CA -0.990 54.016 54.840 0.276 0.000 0.816 350 L CB 1.240 43.435 42.059 0.227 0.000 1.236 350 L HN 0.600 nan 8.230 nan 0.000 0.419 351 L N 5.361 126.792 121.223 0.346 0.000 2.260 351 L HA 0.416 4.756 4.340 0.000 0.000 0.289 351 L C -0.239 176.772 176.870 0.234 0.000 1.057 351 L CA 0.378 55.351 54.840 0.223 0.000 0.811 351 L CB 0.879 43.018 42.059 0.134 0.000 1.184 351 L HN 0.631 nan 8.230 nan 0.000 0.429 352 E N 4.840 125.142 120.200 0.170 0.000 2.216 352 E HA 0.525 4.875 4.350 0.000 0.000 0.279 352 E C -1.797 174.807 176.600 0.007 0.000 0.997 352 E CA -0.444 56.043 56.400 0.144 0.000 0.817 352 E CB 1.920 31.758 29.700 0.231 0.000 1.096 352 E HN 0.540 nan 8.360 nan 0.000 0.393 353 V N 2.964 122.855 119.914 -0.038 0.000 2.852 353 V HA 0.435 4.555 4.120 0.000 0.000 0.300 353 V C 0.207 176.159 176.094 -0.237 0.000 1.205 353 V CA 0.409 62.561 62.300 -0.247 0.000 0.940 353 V CB 1.391 32.986 31.823 -0.380 0.000 1.047 353 V HN 0.898 nan 8.190 nan 0.000 0.429 354 G N 4.323 112.965 108.800 -0.263 0.000 2.422 354 G HA2 0.069 4.029 3.960 0.000 0.000 0.301 354 G HA3 0.069 4.029 3.960 0.000 0.000 0.301 354 G C 1.647 176.675 174.900 0.213 0.000 0.981 354 G CA 1.612 46.761 45.100 0.081 0.000 0.994 354 G HN 2.751 nan 8.290 nan 0.000 0.514 355 G N -1.919 106.941 108.800 0.100 0.000 2.284 355 G HA2 -0.272 3.688 3.960 0.000 0.000 0.247 355 G HA3 -0.272 3.688 3.960 0.000 0.000 0.247 355 G C 0.564 175.505 174.900 0.069 0.000 1.012 355 G CA 0.572 45.767 45.100 0.158 0.000 0.618 355 G HN 1.310 nan 8.290 nan 0.000 0.521 356 L N 1.464 122.693 121.223 0.010 0.000 2.350 356 L HA 0.616 4.956 4.340 0.000 0.000 0.275 356 L C 0.450 177.220 176.870 -0.168 0.000 1.099 356 L CA -0.519 54.232 54.840 -0.149 0.000 0.808 356 L CB 1.102 42.985 42.059 -0.293 0.000 1.149 356 L HN 0.521 nan 8.230 nan 0.000 0.442 357 E N 1.965 121.999 120.200 -0.276 0.000 2.256 357 E HA 0.470 4.820 4.350 0.000 0.000 0.268 357 E C -1.619 174.825 176.600 -0.259 0.000 0.877 357 E CA -0.685 55.634 56.400 -0.134 0.000 0.757 357 E CB 1.591 31.258 29.700 -0.055 0.000 1.183 357 E HN 0.229 nan 8.360 nan 0.000 0.418 358 F N 3.237 123.203 119.950 0.026 0.000 2.311 358 F HA 0.294 4.821 4.527 0.000 0.000 0.371 358 F C -1.550 174.315 175.800 0.108 0.000 1.083 358 F CA -2.640 55.395 58.000 0.058 0.000 1.113 358 F CB 1.503 40.526 39.000 0.038 0.000 1.349 358 F HN 0.397 nan 8.300 nan 0.000 0.470 359 P HA -0.051 nan 4.420 nan 0.000 0.231 359 P C -0.010 177.435 177.300 0.242 0.000 1.158 359 P CA 0.666 63.892 63.100 0.209 0.000 0.763 359 P CB 0.445 32.241 31.700 0.160 0.000 0.805 360 A N 0.237 123.246 122.820 0.315 0.000 2.357 360 A HA 0.557 4.877 4.320 0.000 0.000 0.295 360 A C -0.248 177.551 177.584 0.359 0.000 1.121 360 A CA -0.419 51.827 52.037 0.349 0.000 0.742 360 A CB 0.494 19.746 19.000 0.420 0.000 1.181 360 A HN 0.280 nan 8.150 nan 0.000 0.454 361 C N 0.981 120.424 119.300 0.237 0.000 2.993 361 C HA 0.446 4.906 4.460 0.000 0.000 0.298 361 C C -3.040 171.985 174.990 0.058 0.000 0.906 361 C CA -1.349 57.738 59.018 0.116 0.000 1.090 361 C CB -0.173 27.633 27.740 0.110 0.000 1.656 361 C HN 0.598 nan 8.230 nan 0.000 0.648 362 P HA 0.351 nan 4.420 nan 0.000 0.271 362 P C -0.499 176.707 177.300 -0.157 0.000 1.226 362 P CA 0.809 63.780 63.100 -0.215 0.000 0.765 362 P CB 0.540 32.102 31.700 -0.228 0.000 0.835 363 F N 1.511 121.311 119.950 -0.250 0.000 2.618 363 F HA 0.756 5.283 4.527 0.000 0.000 0.332 363 F C -0.368 175.272 175.800 -0.267 0.000 1.061 363 F CA -1.118 56.730 58.000 -0.254 0.000 0.974 363 F CB 1.682 40.378 39.000 -0.507 0.000 1.310 363 F HN 0.352 nan 8.300 nan 0.000 0.491 364 N N -0.461 118.243 118.700 0.006 0.000 2.745 364 N HA 0.573 5.313 4.740 0.000 0.000 0.256 364 N C -1.334 174.070 175.510 -0.177 0.000 1.268 364 N CA -0.338 52.656 53.050 -0.094 0.000 0.887 364 N CB 1.610 40.089 38.487 -0.013 0.000 1.575 364 N HN 1.060 nan 8.380 nan 0.000 0.496 365 G N -0.407 108.254 108.800 -0.232 0.000 3.356 365 G HA2 0.705 4.665 3.960 0.000 0.000 0.178 365 G HA3 0.705 4.665 3.960 0.000 0.000 0.178 365 G C -1.622 173.224 174.900 -0.090 0.000 1.130 365 G CA -0.527 44.363 45.100 -0.349 0.000 0.800 365 G HN 0.702 nan 8.290 nan 0.000 0.669 366 W N -1.708 119.569 121.300 -0.039 0.000 3.031 366 W HA 0.796 5.456 4.660 0.000 0.000 0.337 366 W C -1.531 174.965 176.519 -0.037 0.000 1.187 366 W CA -2.284 55.055 57.345 -0.010 0.000 1.166 366 W CB 0.338 29.829 29.460 0.052 0.000 1.437 366 W HN 0.407 nan 8.180 nan 0.000 0.551 367 Y N 2.510 122.979 120.300 0.282 0.000 2.550 367 Y HA 0.210 4.760 4.550 0.000 0.000 0.343 367 Y C 0.748 176.678 175.900 0.049 0.000 1.245 367 Y CA -0.263 57.874 58.100 0.062 0.000 1.462 367 Y CB 0.869 39.260 38.460 -0.116 0.000 1.340 367 Y HN 0.471 nan 8.280 nan 0.000 0.604 368 M N 2.487 122.221 119.600 0.223 0.000 2.181 368 M HA 0.343 4.823 4.480 0.000 0.000 0.323 368 M C 1.074 177.322 176.300 -0.086 0.000 1.004 368 M CA -0.201 55.145 55.300 0.075 0.000 0.941 368 M CB 1.309 33.943 32.600 0.057 0.000 1.579 368 M HN 0.850 nan 8.290 nan 0.000 0.427 369 G N 2.034 110.742 108.800 -0.153 0.000 2.783 369 G HA2 -0.401 3.559 3.960 0.000 0.000 0.225 369 G HA3 -0.401 3.559 3.960 0.000 0.000 0.225 369 G C 1.129 175.845 174.900 -0.307 0.000 1.191 369 G CA 2.268 47.214 45.100 -0.258 0.000 0.774 369 G HN 0.889 nan 8.290 nan 0.000 0.632 370 T N -0.961 113.412 114.554 -0.302 0.000 2.822 370 T HA -0.143 4.207 4.350 0.000 0.000 0.270 370 T C 1.987 176.493 174.700 -0.324 0.000 1.064 370 T CA 1.971 63.850 62.100 -0.368 0.000 1.131 370 T CB -0.183 68.390 68.868 -0.492 0.000 0.858 370 T HN 0.402 nan 8.240 nan 0.000 0.483 371 E N 1.288 121.317 120.200 -0.286 0.000 2.077 371 E HA -0.013 4.337 4.350 0.000 0.000 0.193 371 E C 1.894 178.196 176.600 -0.496 0.000 0.989 371 E CA 1.190 57.431 56.400 -0.265 0.000 0.800 371 E CB -0.460 29.218 29.700 -0.037 0.000 0.746 371 E HN 0.713 nan 8.360 nan 0.000 0.452 372 I N -0.731 119.388 120.570 -0.752 0.000 2.270 372 I HA -0.002 4.168 4.170 0.000 0.000 0.239 372 I C 2.402 177.943 176.117 -0.959 0.000 1.080 372 I CA 0.916 61.490 61.300 -1.211 0.000 1.383 372 I CB -0.678 36.502 38.000 -1.366 0.000 1.097 372 I HN 0.233 nan 8.210 nan 0.000 0.420 373 G N 0.553 109.036 108.800 -0.528 0.000 2.442 373 G HA2 -0.158 3.802 3.960 0.000 0.000 0.219 373 G HA3 -0.158 3.802 3.960 0.000 0.000 0.219 373 G C 1.587 176.447 174.900 -0.067 0.000 1.141 373 G CA 1.256 46.281 45.100 -0.124 0.000 0.763 373 G HN 0.255 nan 8.290 nan 0.000 0.554 374 V N -0.041 119.760 119.914 -0.189 0.000 2.521 374 V HA 0.094 4.214 4.120 0.000 0.000 0.239 374 V C 2.762 178.777 176.094 -0.131 0.000 1.053 374 V CA 0.878 63.096 62.300 -0.137 0.000 1.073 374 V CB -0.253 31.455 31.823 -0.191 0.000 0.746 374 V HN 0.098 nan 8.190 nan 0.000 0.476 375 R N 0.948 121.324 120.500 -0.207 0.000 2.054 375 R HA -0.029 4.311 4.340 0.000 0.000 0.223 375 R C 2.030 178.243 176.300 -0.144 0.000 1.176 375 R CA 1.583 57.582 56.100 -0.168 0.000 0.934 375 R CB -1.262 28.925 30.300 -0.188 0.000 0.828 375 R HN 0.447 nan 8.270 nan 0.000 0.441 376 D N 0.554 120.757 120.400 -0.328 0.000 2.116 376 D HA -0.160 4.480 4.640 0.000 0.000 0.193 376 D C 1.916 178.162 176.300 -0.090 0.000 0.998 376 D CA 1.225 54.990 54.000 -0.391 0.000 0.836 376 D CB -0.259 39.755 40.800 -1.309 0.000 0.951 376 D HN 0.089 nan 8.370 nan 0.000 0.449 377 F N 0.264 120.083 119.950 -0.218 0.000 2.219 377 F HA 0.011 4.538 4.527 0.000 0.000 0.294 377 F C 2.400 178.236 175.800 0.060 0.000 1.086 377 F CA -0.093 57.883 58.000 -0.040 0.000 1.330 377 F CB -0.688 38.273 39.000 -0.065 0.000 1.047 377 F HN 0.034 nan 8.300 nan 0.000 0.495 378 C N -1.031 118.393 119.300 0.206 0.000 2.799 378 C HA 0.181 4.641 4.460 0.000 0.000 0.267 378 C C 0.333 175.381 174.990 0.097 0.000 1.257 378 C CA -0.724 58.377 59.018 0.138 0.000 1.702 378 C CB -0.859 26.934 27.740 0.087 0.000 1.934 378 C HN 0.076 nan 8.230 nan 0.000 0.594 379 D N 1.824 122.278 120.400 0.090 0.000 2.424 379 D HA 0.106 4.746 4.640 0.000 0.000 0.244 379 D C 1.543 177.907 176.300 0.107 0.000 1.134 379 D CA 0.420 54.466 54.000 0.077 0.000 0.881 379 D CB 1.081 41.921 40.800 0.067 0.000 1.191 379 D HN 0.387 nan 8.370 nan 0.000 0.445 380 T N -0.411 114.197 114.554 0.089 0.000 2.929 380 T HA -0.230 4.120 4.350 0.000 0.000 0.271 380 T C 1.259 176.016 174.700 0.094 0.000 1.085 380 T CA 0.818 62.973 62.100 0.091 0.000 1.125 380 T CB -0.050 68.864 68.868 0.077 0.000 0.874 380 T HN 0.513 nan 8.240 nan 0.000 0.494 381 Q N 0.500 120.363 119.800 0.106 0.000 2.280 381 Q HA 0.185 4.525 4.340 0.000 0.000 0.202 381 Q C 0.718 176.792 176.000 0.124 0.000 0.903 381 Q CA -0.222 55.650 55.803 0.114 0.000 0.948 381 Q CB 0.249 29.072 28.738 0.141 0.000 1.058 381 Q HN 0.393 nan 8.270 nan 0.000 0.493 382 R N -0.437 120.147 120.500 0.139 0.000 2.792 382 R HA 0.239 4.579 4.340 0.000 0.000 0.100 382 R C 1.162 177.546 176.300 0.140 0.000 0.904 382 R CA -0.406 55.809 56.100 0.192 0.000 0.707 382 R CB -1.014 29.469 30.300 0.305 0.000 0.663 382 R HN 0.043 nan 8.270 nan 0.000 0.354 383 Y N 1.679 122.115 120.300 0.227 0.000 2.516 383 Y HA 0.024 4.574 4.550 0.000 0.000 0.291 383 Y C 0.474 176.469 175.900 0.158 0.000 1.131 383 Y CA 0.301 58.538 58.100 0.228 0.000 1.281 383 Y CB -0.313 38.378 38.460 0.385 0.000 1.013 383 Y HN 0.425 nan 8.280 nan 0.000 0.554 384 N N 1.241 120.100 118.700 0.265 0.000 2.676 384 N HA -0.227 4.513 4.740 0.000 0.000 0.290 384 N C 0.259 175.866 175.510 0.161 0.000 1.109 384 N CA 0.859 54.016 53.050 0.179 0.000 0.779 384 N CB -1.038 37.524 38.487 0.125 0.000 0.947 384 N HN 0.676 nan 8.380 nan 0.000 0.566 385 I N -1.793 118.876 120.570 0.165 0.000 4.018 385 I HA 0.123 4.293 4.170 0.000 0.000 0.337 385 I C 1.623 177.817 176.117 0.128 0.000 1.327 385 I CA -0.520 60.844 61.300 0.107 0.000 1.100 385 I CB -0.024 37.988 38.000 0.020 0.000 1.025 385 I HN 0.210 nan 8.210 nan 0.000 0.396 386 L N 1.451 122.778 121.223 0.174 0.000 2.012 386 L HA -0.213 4.127 4.340 0.000 0.000 0.210 386 L C 2.706 179.781 176.870 0.343 0.000 1.073 386 L CA 2.178 57.171 54.840 0.255 0.000 0.748 386 L CB -0.284 41.902 42.059 0.212 0.000 0.891 386 L HN 0.408 nan 8.230 nan 0.000 0.431 387 E N 0.847 121.205 120.200 0.263 0.000 2.065 387 E HA -0.313 4.037 4.350 0.000 0.000 0.201 387 E C 1.864 178.443 176.600 -0.035 0.000 1.016 387 E CA 2.334 58.803 56.400 0.114 0.000 0.818 387 E CB -0.087 29.652 29.700 0.065 0.000 0.749 387 E HN 0.665 nan 8.360 nan 0.000 0.453 388 E N -0.694 119.502 120.200 -0.007 0.000 2.170 388 E HA -0.066 4.284 4.350 0.000 0.000 0.191 388 E C 2.057 178.607 176.600 -0.084 0.000 0.981 388 E CA 1.028 57.383 56.400 -0.074 0.000 0.830 388 E CB -0.243 29.418 29.700 -0.064 0.000 0.775 388 E HN 0.166 nan 8.360 nan 0.000 0.470 389 V N 1.559 121.492 119.914 0.032 0.000 2.594 389 V HA -0.143 3.977 4.120 0.000 0.000 0.253 389 V C 2.327 178.482 176.094 0.101 0.000 1.069 389 V CA 1.768 64.148 62.300 0.134 0.000 1.082 389 V CB -0.692 31.302 31.823 0.284 0.000 0.680 389 V HN 0.553 nan 8.190 nan 0.000 0.469 390 G N 0.300 109.144 108.800 0.074 0.000 2.434 390 G HA2 -0.211 3.749 3.960 0.000 0.000 0.214 390 G HA3 -0.211 3.749 3.960 0.000 0.000 0.214 390 G C 1.676 176.461 174.900 -0.191 0.000 1.202 390 G CA 0.643 45.750 45.100 0.011 0.000 0.788 390 G HN 0.427 nan 8.290 nan 0.000 0.539 391 R N 0.214 120.540 120.500 -0.289 0.000 2.096 391 R HA -0.070 4.270 4.340 0.000 0.000 0.240 391 R C 2.595 178.656 176.300 -0.398 0.000 1.139 391 R CA 1.303 57.212 56.100 -0.320 0.000 0.952 391 R CB -0.419 29.711 30.300 -0.284 0.000 0.854 391 R HN 0.249 nan 8.270 nan 0.000 0.436 392 R N 0.263 120.418 120.500 -0.575 0.000 2.341 392 R HA -0.040 4.300 4.340 0.000 0.000 0.213 392 R C 1.691 177.380 176.300 -1.019 0.000 1.082 392 R CA 0.897 56.351 56.100 -1.077 0.000 1.017 392 R CB -0.077 29.135 30.300 -1.812 0.000 0.860 392 R HN 0.350 nan 8.270 nan 0.000 0.473 393 M N -0.999 118.316 119.600 -0.475 0.000 2.371 393 M HA 0.161 4.641 4.480 0.000 0.000 0.246 393 M C 0.685 176.894 176.300 -0.152 0.000 1.103 393 M CA 0.255 55.433 55.300 -0.204 0.000 1.010 393 M CB 1.089 33.719 32.600 0.050 0.000 1.457 393 M HN 0.306 nan 8.290 nan 0.000 0.486 394 G N 1.949 110.624 108.800 -0.208 0.000 2.221 394 G HA2 -0.211 3.749 3.960 0.000 0.000 0.265 394 G HA3 -0.211 3.749 3.960 0.000 0.000 0.265 394 G C -0.366 174.472 174.900 -0.104 0.000 1.041 394 G CA -0.255 44.755 45.100 -0.151 0.000 0.807 394 G HN 0.256 nan 8.290 nan 0.000 0.502 395 L N 0.094 121.247 121.223 -0.117 0.000 2.399 395 L HA 0.394 4.734 4.340 0.000 0.000 0.266 395 L C 1.109 177.860 176.870 -0.200 0.000 1.114 395 L CA -0.551 54.242 54.840 -0.079 0.000 0.804 395 L CB 0.778 42.851 42.059 0.023 0.000 1.146 395 L HN 0.315 nan 8.230 nan 0.000 0.451 396 E N 1.256 121.379 120.200 -0.129 0.000 2.323 396 E HA -0.006 4.344 4.350 0.000 0.000 0.313 396 E C 0.690 177.008 176.600 -0.471 0.000 1.236 396 E CA -0.031 56.269 56.400 -0.167 0.000 1.333 396 E CB -0.158 29.536 29.700 -0.010 0.000 1.138 396 E HN 0.589 nan 8.360 nan 0.000 0.492 397 T N 0.778 114.853 114.554 -0.800 0.000 2.869 397 T HA -0.180 4.170 4.350 0.000 0.000 0.270 397 T C 1.001 175.122 174.700 -0.964 0.000 1.082 397 T CA 1.111 62.365 62.100 -1.411 0.000 1.123 397 T CB -0.112 68.094 68.868 -1.102 0.000 0.856 397 T HN 0.499 nan 8.240 nan 0.000 0.499 398 H N -0.241 118.658 119.070 -0.284 0.000 2.652 398 H HA 0.243 4.799 4.556 0.000 0.000 0.274 398 H C 0.190 175.529 175.328 0.019 0.000 1.021 398 H CA 0.272 56.270 56.048 -0.083 0.000 1.187 398 H CB 0.627 30.341 29.762 -0.081 0.000 1.505 398 H HN 0.164 nan 8.280 nan 0.000 0.530 399 T N 2.346 116.968 114.554 0.114 0.000 3.060 399 T HA 0.072 4.422 4.350 0.000 0.000 0.367 399 T C 1.213 176.081 174.700 0.280 0.000 1.229 399 T CA -0.278 61.918 62.100 0.159 0.000 1.104 399 T CB 1.080 70.015 68.868 0.110 0.000 1.083 399 T HN 0.016 nan 8.240 nan 0.000 0.524 400 L N 3.291 124.679 121.223 0.276 0.000 2.043 400 L HA -0.063 4.277 4.340 0.000 0.000 0.212 400 L C 2.448 179.406 176.870 0.147 0.000 1.075 400 L CA 2.006 56.999 54.840 0.256 0.000 0.752 400 L CB -0.646 41.505 42.059 0.154 0.000 0.891 400 L HN 0.677 nan 8.230 nan 0.000 0.432 401 A N -1.540 121.352 122.820 0.120 0.000 2.178 401 A HA -0.138 4.182 4.320 0.000 0.000 0.218 401 A C 2.320 179.960 177.584 0.094 0.000 1.157 401 A CA 1.290 53.375 52.037 0.081 0.000 0.689 401 A CB -0.887 18.153 19.000 0.067 0.000 0.787 401 A HN 0.632 nan 8.150 nan 0.000 0.465 402 S N -0.411 115.382 115.700 0.156 0.000 2.603 402 S HA 0.097 4.567 4.470 0.000 0.000 0.229 402 S C 0.897 175.585 174.600 0.147 0.000 0.972 402 S CA 0.629 58.925 58.200 0.160 0.000 0.935 402 S CB -0.804 62.519 63.200 0.206 0.000 0.769 402 S HN 0.834 nan 8.310 nan 0.000 0.536 403 L N 0.099 121.374 121.223 0.087 0.000 4.001 403 L HA -0.192 4.148 4.340 0.000 0.000 0.413 403 L C 1.718 178.601 176.870 0.022 0.000 1.185 403 L CA 0.905 55.743 54.840 -0.003 0.000 0.963 403 L CB -2.777 39.291 42.059 0.016 0.000 1.976 403 L HN 0.770 nan 8.230 nan 0.000 0.939 404 W N 0.479 121.793 121.300 0.023 0.000 2.342 404 W HA -0.176 4.484 4.660 0.000 0.000 0.297 404 W C 1.751 178.291 176.519 0.036 0.000 1.213 404 W CA 1.382 58.743 57.345 0.026 0.000 1.251 404 W CB -0.754 28.709 29.460 0.004 0.000 1.136 404 W HN 0.251 nan 8.180 nan 0.000 0.526 405 K N 0.799 120.679 120.400 -0.866 0.000 2.057 405 K HA -0.178 4.142 4.320 0.000 0.000 0.207 405 K C 1.565 178.005 176.600 -0.265 0.000 1.049 405 K CA 2.274 58.069 56.287 -0.819 0.000 0.931 405 K CB -0.317 31.572 32.500 -1.018 0.000 0.714 405 K HN -0.020 nan 8.250 nan 0.000 0.440 406 D N 0.196 120.487 120.400 -0.181 0.000 2.097 406 D HA -0.129 4.511 4.640 0.000 0.000 0.195 406 D C 1.926 178.237 176.300 0.018 0.000 0.989 406 D CA 1.081 55.042 54.000 -0.064 0.000 0.827 406 D CB -0.071 40.705 40.800 -0.040 0.000 0.966 406 D HN 0.013 nan 8.370 nan 0.000 0.456 407 R N 0.504 121.042 120.500 0.063 0.000 2.083 407 R HA -0.069 4.271 4.340 0.000 0.000 0.237 407 R C 2.026 178.434 176.300 0.179 0.000 1.137 407 R CA 1.568 57.746 56.100 0.131 0.000 0.951 407 R CB -0.463 29.940 30.300 0.171 0.000 0.851 407 R HN 0.164 nan 8.270 nan 0.000 0.434 408 A N -0.337 122.610 122.820 0.211 0.000 1.835 408 A HA -0.150 4.170 4.320 0.000 0.000 0.215 408 A C 2.248 179.967 177.584 0.224 0.000 1.199 408 A CA 1.672 53.874 52.037 0.275 0.000 0.615 408 A CB -1.274 17.936 19.000 0.349 0.000 0.838 408 A HN 0.242 nan 8.150 nan 0.000 0.444 409 V N 0.131 120.128 119.914 0.137 0.000 2.370 409 V HA -0.292 3.828 4.120 0.000 0.000 0.252 409 V C 2.573 178.725 176.094 0.097 0.000 1.068 409 V CA 3.089 65.450 62.300 0.101 0.000 1.061 409 V CB -0.963 30.872 31.823 0.020 0.000 0.656 409 V HN 0.685 nan 8.190 nan 0.000 0.455 410 T N -0.408 114.202 114.554 0.093 0.000 2.788 410 T HA -0.135 4.215 4.350 0.000 0.000 0.268 410 T C 1.771 176.527 174.700 0.093 0.000 1.044 410 T CA 1.530 63.680 62.100 0.084 0.000 1.139 410 T CB -0.249 68.669 68.868 0.084 0.000 0.867 410 T HN 0.540 nan 8.240 nan 0.000 0.454 411 E N 0.947 121.244 120.200 0.161 0.000 2.106 411 E HA 0.027 4.377 4.350 0.000 0.000 0.192 411 E C 2.209 178.896 176.600 0.144 0.000 0.984 411 E CA 0.630 57.153 56.400 0.205 0.000 0.806 411 E CB -0.367 29.537 29.700 0.339 0.000 0.750 411 E HN 0.544 nan 8.360 nan 0.000 0.458 412 I N 1.496 122.199 120.570 0.221 0.000 2.315 412 I HA -0.236 3.934 4.170 0.000 0.000 0.248 412 I C 2.086 178.257 176.117 0.090 0.000 1.117 412 I CA 0.715 62.162 61.300 0.245 0.000 1.404 412 I CB -0.326 37.877 38.000 0.338 0.000 1.071 412 I HN 0.026 nan 8.210 nan 0.000 0.419 413 N N 0.868 119.595 118.700 0.045 0.000 2.120 413 N HA -0.139 4.601 4.740 0.000 0.000 0.188 413 N C 2.041 177.512 175.510 -0.065 0.000 1.024 413 N CA 1.872 54.910 53.050 -0.020 0.000 0.852 413 N CB -0.206 38.269 38.487 -0.021 0.000 1.003 413 N HN 0.398 nan 8.380 nan 0.000 0.424 414 V N -1.037 118.810 119.914 -0.112 0.000 2.515 414 V HA 0.027 4.147 4.120 0.000 0.000 0.250 414 V C 2.316 178.235 176.094 -0.291 0.000 1.058 414 V CA 1.581 63.755 62.300 -0.210 0.000 1.064 414 V CB -1.048 30.584 31.823 -0.318 0.000 0.675 414 V HN 0.156 nan 8.190 nan 0.000 0.461 415 A N 0.797 123.387 122.820 -0.382 0.000 1.858 415 A HA -0.087 4.233 4.320 0.000 0.000 0.216 415 A C 2.407 179.927 177.584 -0.107 0.000 1.190 415 A CA 2.379 54.154 52.037 -0.436 0.000 0.617 415 A CB -1.036 17.422 19.000 -0.904 0.000 0.827 415 A HN 0.449 nan 8.150 nan 0.000 0.443 416 V N -0.238 119.670 119.914 -0.011 0.000 2.252 416 V HA -0.263 3.857 4.120 0.000 0.000 0.249 416 V C 2.535 178.668 176.094 0.066 0.000 1.056 416 V CA 2.077 64.427 62.300 0.082 0.000 1.022 416 V CB -0.843 30.955 31.823 -0.042 0.000 0.641 416 V HN 0.491 nan 8.190 nan 0.000 0.445 417 L N -0.399 120.804 121.223 -0.033 0.000 2.017 417 L HA -0.187 4.153 4.340 0.000 0.000 0.208 417 L C 2.484 179.379 176.870 0.041 0.000 1.073 417 L CA 2.263 57.087 54.840 -0.026 0.000 0.745 417 L CB -1.364 40.672 42.059 -0.038 0.000 0.894 417 L HN 0.547 nan 8.230 nan 0.000 0.432 418 H N -1.350 117.666 119.070 -0.090 0.000 2.293 418 H HA -0.126 4.430 4.556 0.000 0.000 0.300 418 H C 2.104 177.410 175.328 -0.037 0.000 1.082 418 H CA 1.700 57.685 56.048 -0.106 0.000 1.308 418 H CB 0.402 30.029 29.762 -0.225 0.000 1.375 418 H HN 0.278 nan 8.280 nan 0.000 0.495 419 S N 0.318 115.892 115.700 -0.211 0.000 2.370 419 S HA -0.152 4.318 4.470 0.000 0.000 0.226 419 S C 1.961 176.493 174.600 -0.115 0.000 1.033 419 S CA 1.476 59.548 58.200 -0.213 0.000 1.011 419 S CB -0.529 62.655 63.200 -0.027 0.000 0.852 419 S HN 0.314 nan 8.310 nan 0.000 0.457 420 F N 1.779 121.647 119.950 -0.138 0.000 2.171 420 F HA -0.099 4.428 4.527 0.000 0.000 0.300 420 F C 2.641 178.374 175.800 -0.112 0.000 1.090 420 F CA 1.128 59.072 58.000 -0.095 0.000 1.293 420 F CB -0.511 38.452 39.000 -0.063 0.000 1.013 420 F HN 0.215 nan 8.300 nan 0.000 0.486 421 Q N -0.238 119.592 119.800 0.051 0.000 2.079 421 Q HA -0.211 4.129 4.340 0.000 0.000 0.200 421 Q C 2.230 178.180 176.000 -0.083 0.000 0.974 421 Q CA 1.469 57.261 55.803 -0.017 0.000 0.840 421 Q CB -0.211 28.518 28.738 -0.014 0.000 0.898 421 Q HN 0.315 nan 8.270 nan 0.000 0.430 422 K N 0.790 121.081 120.400 -0.182 0.000 2.057 422 K HA -0.153 4.167 4.320 0.000 0.000 0.207 422 K C 1.237 177.751 176.600 -0.143 0.000 1.049 422 K CA 1.184 57.351 56.287 -0.201 0.000 0.931 422 K CB 0.188 32.462 32.500 -0.376 0.000 0.714 422 K HN 0.169 nan 8.250 nan 0.000 0.440 423 Q N 0.672 120.378 119.800 -0.156 0.000 2.228 423 Q HA 0.101 4.441 4.340 0.000 0.000 0.211 423 Q C -0.666 175.265 176.000 -0.115 0.000 0.890 423 Q CA -0.252 55.467 55.803 -0.140 0.000 0.953 423 Q CB 0.298 28.926 28.738 -0.184 0.000 1.053 423 Q HN 0.270 nan 8.270 nan 0.000 0.471 424 N N 0.276 118.925 118.700 -0.086 0.000 2.708 424 N HA -0.163 4.577 4.740 0.000 0.000 0.251 424 N C -1.269 174.209 175.510 -0.053 0.000 1.017 424 N CA 0.591 53.603 53.050 -0.062 0.000 0.742 424 N CB -0.840 37.613 38.487 -0.057 0.000 0.943 424 N HN 0.057 nan 8.380 nan 0.000 0.539 425 V N 0.930 120.821 119.914 -0.038 0.000 2.417 425 V HA 0.213 4.333 4.120 0.000 0.000 0.291 425 V C 0.881 177.063 176.094 0.146 0.000 1.024 425 V CA -0.665 61.645 62.300 0.017 0.000 0.861 425 V CB 1.992 33.751 31.823 -0.107 0.000 0.985 425 V HN 0.129 nan 8.190 nan 0.000 0.436 426 T N 6.201 120.794 114.554 0.065 0.000 2.946 426 T HA 0.376 4.726 4.350 0.000 0.000 0.312 426 T C -0.205 174.535 174.700 0.067 0.000 1.066 426 T CA 0.935 63.003 62.100 -0.053 0.000 1.138 426 T CB 0.102 68.831 68.868 -0.232 0.000 1.014 426 T HN 0.611 nan 8.240 nan 0.000 0.544 427 I N 1.923 122.434 120.570 -0.100 0.000 2.721 427 I HA 0.400 4.570 4.170 0.000 0.000 0.292 427 I C -1.784 174.281 176.117 -0.086 0.000 1.674 427 I CA -0.791 60.464 61.300 -0.075 0.000 0.993 427 I CB 1.694 39.545 38.000 -0.248 0.000 1.448 427 I HN 0.659 nan 8.210 nan 0.000 0.500 428 M N 5.504 125.120 119.600 0.026 0.000 2.395 428 M HA 0.410 4.890 4.480 0.000 0.000 0.307 428 M C -1.434 174.906 176.300 0.066 0.000 1.091 428 M CA -0.450 54.890 55.300 0.066 0.000 0.919 428 M CB 1.794 34.519 32.600 0.207 0.000 1.662 428 M HN 0.602 nan 8.290 nan 0.000 0.440 429 D N 1.899 122.338 120.400 0.066 0.000 2.344 429 D HA 0.077 4.717 4.640 0.000 0.000 0.244 429 D C 1.160 177.547 176.300 0.144 0.000 1.134 429 D CA -0.138 53.935 54.000 0.122 0.000 0.930 429 D CB 0.578 41.451 40.800 0.123 0.000 1.175 429 D HN 0.701 nan 8.370 nan 0.000 0.437 430 H N 0.744 119.778 119.070 -0.061 0.000 2.422 430 H HA -0.187 4.369 4.556 0.000 0.000 0.298 430 H C 1.151 176.390 175.328 -0.149 0.000 1.098 430 H CA 1.661 57.627 56.048 -0.137 0.000 1.315 430 H CB -0.849 28.773 29.762 -0.234 0.000 1.382 430 H HN 0.568 nan 8.280 nan 0.000 0.523 431 H N 1.162 120.021 119.070 -0.351 0.000 2.270 431 H HA -0.087 4.469 4.556 0.000 0.000 0.299 431 H C 2.464 177.748 175.328 -0.074 0.000 1.077 431 H CA 2.514 58.419 56.048 -0.239 0.000 1.294 431 H CB -0.411 29.186 29.762 -0.275 0.000 1.371 431 H HN 0.601 nan 8.280 nan 0.000 0.491 432 T N -0.356 114.252 114.554 0.091 0.000 2.803 432 T HA -0.078 4.272 4.350 0.000 0.000 0.269 432 T C 2.283 177.037 174.700 0.091 0.000 1.052 432 T CA 1.156 63.302 62.100 0.077 0.000 1.136 432 T CB -0.487 68.419 68.868 0.063 0.000 0.864 432 T HN 0.367 nan 8.240 nan 0.000 0.467 433 A N 1.578 124.454 122.820 0.093 0.000 1.898 433 A HA 0.030 4.350 4.320 0.000 0.000 0.216 433 A C 2.719 180.374 177.584 0.119 0.000 1.181 433 A CA 1.732 53.839 52.037 0.116 0.000 0.620 433 A CB -1.002 18.062 19.000 0.106 0.000 0.819 433 A HN 0.510 nan 8.150 nan 0.000 0.442 434 S N -0.242 115.507 115.700 0.081 0.000 2.355 434 S HA -0.152 4.318 4.470 0.000 0.000 0.222 434 S C 1.834 176.522 174.600 0.146 0.000 1.031 434 S CA 1.405 59.667 58.200 0.104 0.000 0.993 434 S CB -0.333 62.890 63.200 0.037 0.000 0.859 434 S HN 0.673 nan 8.310 nan 0.000 0.453 435 E N 1.124 121.388 120.200 0.107 0.000 2.160 435 E HA -0.149 4.201 4.350 0.000 0.000 0.195 435 E C 2.379 179.038 176.600 0.099 0.000 0.991 435 E CA 1.413 57.869 56.400 0.094 0.000 0.810 435 E CB -0.202 29.541 29.700 0.071 0.000 0.742 435 E HN 0.616 nan 8.360 nan 0.000 0.466 436 S N 0.589 116.361 115.700 0.121 0.000 2.371 436 S HA -0.158 4.312 4.470 0.000 0.000 0.224 436 S C 1.929 176.620 174.600 0.151 0.000 1.029 436 S CA 0.508 58.782 58.200 0.122 0.000 0.978 436 S CB -0.467 62.813 63.200 0.133 0.000 0.833 436 S HN 0.309 nan 8.310 nan 0.000 0.466 437 F N 2.324 122.309 119.950 0.058 0.000 2.171 437 F HA 0.017 4.544 4.527 0.000 0.000 0.300 437 F C 2.298 178.148 175.800 0.084 0.000 1.090 437 F CA 1.486 59.531 58.000 0.075 0.000 1.293 437 F CB -0.363 38.659 39.000 0.037 0.000 1.013 437 F HN 0.123 nan 8.300 nan 0.000 0.486 438 M N 0.134 119.747 119.600 0.021 0.000 2.117 438 M HA -0.194 4.286 4.480 0.000 0.000 0.262 438 M C 2.239 178.457 176.300 -0.136 0.000 1.065 438 M CA 1.644 56.896 55.300 -0.080 0.000 1.114 438 M CB -1.162 31.461 32.600 0.037 0.000 1.361 438 M HN 0.102 nan 8.290 nan 0.000 0.408 439 K N -0.202 120.168 120.400 -0.051 0.000 2.026 439 K HA -0.212 4.108 4.320 0.000 0.000 0.208 439 K C 1.966 178.524 176.600 -0.069 0.000 1.048 439 K CA 1.934 58.198 56.287 -0.038 0.000 0.929 439 K CB -0.679 31.832 32.500 0.017 0.000 0.713 439 K HN 0.385 nan 8.250 nan 0.000 0.439 440 H N -0.059 118.904 119.070 -0.178 0.000 2.293 440 H HA -0.084 4.472 4.556 0.000 0.000 0.300 440 H C 2.037 177.190 175.328 -0.292 0.000 1.082 440 H CA 2.585 58.513 56.048 -0.199 0.000 1.308 440 H CB -0.292 29.347 29.762 -0.205 0.000 1.375 440 H HN 0.272 nan 8.280 nan 0.000 0.495 441 M N 0.361 119.573 119.600 -0.646 0.000 2.144 441 M HA -0.267 4.213 4.480 0.000 0.000 0.260 441 M C 2.367 178.424 176.300 -0.406 0.000 1.067 441 M CA 2.408 57.313 55.300 -0.658 0.000 1.095 441 M CB -0.184 31.966 32.600 -0.750 0.000 1.365 441 M HN 0.721 nan 8.290 nan 0.000 0.406 442 Q N -1.143 118.471 119.800 -0.310 0.000 2.187 442 Q HA -0.131 4.209 4.340 0.000 0.000 0.199 442 Q C 1.260 177.190 176.000 -0.116 0.000 0.957 442 Q CA 1.264 56.949 55.803 -0.196 0.000 0.857 442 Q CB -0.457 28.196 28.738 -0.142 0.000 0.929 442 Q HN 0.481 nan 8.270 nan 0.000 0.453 443 N N 0.889 119.499 118.700 -0.150 0.000 2.309 443 N HA -0.133 4.607 4.740 0.000 0.000 0.182 443 N C 1.394 176.834 175.510 -0.117 0.000 1.018 443 N CA 1.329 54.322 53.050 -0.094 0.000 0.876 443 N CB 0.015 38.470 38.487 -0.053 0.000 0.972 443 N HN 0.340 nan 8.380 nan 0.000 0.434 444 E N -0.268 119.791 120.200 -0.236 0.000 2.072 444 E HA -0.048 4.302 4.350 0.000 0.000 0.190 444 E C 1.349 177.938 176.600 -0.018 0.000 0.982 444 E CA 0.914 57.184 56.400 -0.216 0.000 0.803 444 E CB -0.143 29.315 29.700 -0.404 0.000 0.755 444 E HN 0.320 nan 8.360 nan 0.000 0.453 445 Y N 0.113 120.311 120.300 -0.170 0.000 2.220 445 Y HA 0.019 4.569 4.550 0.000 0.000 0.291 445 Y C 2.345 178.201 175.900 -0.072 0.000 1.129 445 Y CA 1.017 59.059 58.100 -0.097 0.000 1.161 445 Y CB -0.196 38.218 38.460 -0.078 0.000 0.997 445 Y HN -0.020 nan 8.280 nan 0.000 0.522 446 R N 0.485 121.037 120.500 0.086 0.000 2.115 446 R HA -0.099 4.241 4.340 0.000 0.000 0.230 446 R C 2.011 178.316 176.300 0.008 0.000 1.111 446 R CA 1.283 57.404 56.100 0.035 0.000 0.976 446 R CB -0.392 29.919 30.300 0.019 0.000 0.870 446 R HN 0.340 nan 8.270 nan 0.000 0.445 447 A N 1.063 123.878 122.820 -0.008 0.000 1.975 447 A HA -0.065 4.255 4.320 0.000 0.000 0.215 447 A C 1.531 179.096 177.584 -0.032 0.000 1.170 447 A CA 1.119 53.149 52.037 -0.012 0.000 0.656 447 A CB 0.062 19.058 19.000 -0.006 0.000 0.821 447 A HN 0.469 nan 8.150 nan 0.000 0.449 448 R N -2.726 117.732 120.500 -0.069 0.000 2.494 448 R HA 0.331 4.671 4.340 0.000 0.000 0.400 448 R C 0.595 176.804 176.300 -0.152 0.000 0.856 448 R CA 0.286 56.331 56.100 -0.091 0.000 1.112 448 R CB -0.992 29.252 30.300 -0.094 0.000 1.697 448 R HN 0.848 nan 8.270 nan 0.000 0.544 449 G N 0.210 108.900 108.800 -0.183 0.000 2.371 449 G HA2 0.029 3.989 3.960 0.000 0.000 0.299 449 G HA3 0.029 3.989 3.960 0.000 0.000 0.299 449 G C 0.246 174.760 174.900 -0.644 0.000 1.014 449 G CA 0.400 45.303 45.100 -0.329 0.000 1.097 449 G HN 1.012 nan 8.290 nan 0.000 0.512 450 G N -2.393 105.848 108.800 -0.931 0.000 2.358 450 G HA2 0.567 4.527 3.960 0.000 0.000 0.301 450 G HA3 0.567 4.527 3.960 0.000 0.000 0.301 450 G C -0.823 173.910 174.900 -0.277 0.000 1.539 450 G CA 0.220 44.810 45.100 -0.849 0.000 0.893 450 G HN 1.938 nan 8.290 nan 0.000 0.636 451 C N 2.653 122.001 119.300 0.080 0.000 3.080 451 C HA 0.561 5.021 4.460 0.000 0.000 0.388 451 C C -2.561 172.426 174.990 -0.005 0.000 1.079 451 C CA -1.073 57.997 59.018 0.088 0.000 1.289 451 C CB 0.924 28.761 27.740 0.162 0.000 1.702 451 C HN 0.708 nan 8.230 nan 0.000 0.516 452 P HA 0.305 nan 4.420 nan 0.000 0.258 452 P C -0.495 176.701 177.300 -0.173 0.000 1.187 452 P CA 0.847 63.549 63.100 -0.664 0.000 0.767 452 P CB 0.662 31.921 31.700 -0.735 0.000 0.770 453 A N 3.189 125.979 122.820 -0.051 0.000 2.375 453 A HA 0.336 4.656 4.320 0.000 0.000 0.295 453 A C -0.657 176.980 177.584 0.087 0.000 1.066 453 A CA -0.602 51.487 52.037 0.088 0.000 0.722 453 A CB 1.015 20.179 19.000 0.273 0.000 1.206 453 A HN 0.457 nan 8.150 nan 0.000 0.435 454 D N 2.633 123.064 120.400 0.052 0.000 2.428 454 D HA 0.080 4.720 4.640 0.000 0.000 0.221 454 D C 0.817 177.232 176.300 0.191 0.000 1.123 454 D CA -0.426 53.645 54.000 0.119 0.000 0.869 454 D CB 0.419 41.247 40.800 0.047 0.000 1.032 454 D HN 0.655 nan 8.370 nan 0.000 0.506 455 W N 4.778 126.102 121.300 0.040 0.000 2.317 455 W HA -0.225 4.435 4.660 0.000 0.000 0.318 455 W C 1.877 178.414 176.519 0.030 0.000 1.227 455 W CA 1.200 58.550 57.345 0.009 0.000 1.269 455 W CB -0.118 29.326 29.460 -0.026 0.000 1.155 455 W HN 0.478 nan 8.180 nan 0.000 0.484 456 I N -0.780 120.088 120.570 0.498 0.000 2.399 456 I HA -0.316 3.855 4.170 0.000 0.000 0.254 456 I C 1.562 177.742 176.117 0.105 0.000 1.146 456 I CA 1.470 62.987 61.300 0.361 0.000 1.412 456 I CB -0.640 37.590 38.000 0.383 0.000 1.076 456 I HN 0.175 nan 8.210 nan 0.000 0.432 457 W N -0.196 121.059 121.300 -0.075 0.000 2.808 457 W HA 0.183 4.843 4.660 0.000 0.000 0.266 457 W C 2.156 178.537 176.519 -0.230 0.000 1.247 457 W CA 0.006 57.272 57.345 -0.131 0.000 1.440 457 W CB -0.214 29.189 29.460 -0.094 0.000 1.040 457 W HN -0.083 nan 8.180 nan 0.000 0.606 458 L N -0.168 120.980 121.223 -0.125 0.000 2.240 458 L HA 0.029 4.369 4.340 0.000 0.000 0.211 458 L C 0.610 177.247 176.870 -0.388 0.000 1.106 458 L CA 0.340 54.988 54.840 -0.320 0.000 0.793 458 L CB -0.773 40.998 42.059 -0.480 0.000 0.927 458 L HN -0.402 nan 8.230 nan 0.000 0.446 459 V N 1.723 121.323 119.914 -0.524 0.000 2.439 459 V HA 0.113 4.233 4.120 0.000 0.000 0.271 459 V C -1.867 174.027 176.094 -0.333 0.000 1.040 459 V CA -1.308 60.673 62.300 -0.531 0.000 1.002 459 V CB 0.296 31.579 31.823 -0.899 0.000 1.000 459 V HN 0.040 nan 8.190 nan 0.000 0.477 460 P HA 0.057 nan 4.420 nan 0.000 0.265 460 P C -1.684 175.498 177.300 -0.196 0.000 1.187 460 P CA -0.870 62.115 63.100 -0.192 0.000 0.766 460 P CB 0.091 31.734 31.700 -0.095 0.000 0.820 461 P HA -0.079 nan 4.420 nan 0.000 0.236 461 P C -0.036 177.168 177.300 -0.160 0.000 1.172 461 P CA 1.077 64.061 63.100 -0.194 0.000 0.759 461 P CB 0.082 31.653 31.700 -0.214 0.000 0.843 462 V N -6.724 113.088 119.914 -0.170 0.000 3.087 462 V HA 0.557 4.677 4.120 0.000 0.000 0.306 462 V C 0.040 176.111 176.094 -0.038 0.000 1.187 462 V CA -1.018 61.213 62.300 -0.114 0.000 0.999 462 V CB 1.427 33.166 31.823 -0.141 0.000 1.049 462 V HN -0.118 nan 8.190 nan 0.000 0.431 463 S N 1.287 116.984 115.700 -0.005 0.000 3.706 463 S HA -0.164 4.306 4.470 0.000 0.000 0.363 463 S C 1.452 176.014 174.600 -0.064 0.000 0.999 463 S CA 1.018 59.226 58.200 0.013 0.000 1.143 463 S CB -1.532 61.745 63.200 0.129 0.000 0.902 463 S HN 2.054 nan 8.310 nan 0.000 0.476 464 G N 2.629 111.358 108.800 -0.118 0.000 2.739 464 G HA2 -0.286 3.674 3.960 0.000 0.000 0.216 464 G HA3 -0.286 3.674 3.960 0.000 0.000 0.216 464 G C 1.479 176.154 174.900 -0.376 0.000 1.298 464 G CA 1.411 46.404 45.100 -0.179 0.000 0.804 464 G HN 1.256 nan 8.290 nan 0.000 0.623 465 S N 0.332 115.517 115.700 -0.859 0.000 2.507 465 S HA 0.025 4.495 4.470 0.000 0.000 0.235 465 S C 2.056 176.583 174.600 -0.122 0.000 0.988 465 S CA 0.688 58.353 58.200 -0.891 0.000 0.944 465 S CB -0.083 62.523 63.200 -0.990 0.000 0.762 465 S HN 0.198 nan 8.310 nan 0.000 0.526 466 I N 1.982 122.501 120.570 -0.085 0.000 3.001 466 I HA 0.055 4.225 4.170 0.000 0.000 0.268 466 I C 0.805 176.986 176.117 0.107 0.000 1.267 466 I CA 0.640 61.969 61.300 0.050 0.000 1.472 466 I CB -1.796 36.259 38.000 0.091 0.000 1.089 466 I HN 0.268 nan 8.210 nan 0.000 0.468 467 T N 1.748 116.335 114.554 0.056 0.000 2.902 467 T HA 0.253 4.603 4.350 0.000 0.000 0.283 467 T C -1.520 173.291 174.700 0.185 0.000 1.009 467 T CA -1.069 61.075 62.100 0.073 0.000 1.051 467 T CB 2.452 71.300 68.868 -0.033 0.000 0.999 467 T HN -0.106 nan 8.240 nan 0.000 0.474 468 P HA -0.088 nan 4.420 nan 0.000 0.215 468 P C 1.839 179.301 177.300 0.269 0.000 1.157 468 P CA 0.654 63.908 63.100 0.256 0.000 0.859 468 P CB -0.189 31.611 31.700 0.166 0.000 0.786 469 V N -2.429 117.590 119.914 0.175 0.000 2.660 469 V HA -0.277 3.843 4.120 0.000 0.000 0.257 469 V C 2.027 178.176 176.094 0.092 0.000 1.088 469 V CA 1.679 64.059 62.300 0.134 0.000 1.106 469 V CB -2.004 29.841 31.823 0.038 0.000 0.686 469 V HN -0.033 nan 8.190 nan 0.000 0.481 470 F N 2.223 122.118 119.950 -0.091 0.000 2.171 470 F HA -0.083 4.444 4.527 0.000 0.000 0.300 470 F C 2.101 178.007 175.800 0.176 0.000 1.090 470 F CA 2.360 60.320 58.000 -0.068 0.000 1.293 470 F CB -0.341 38.491 39.000 -0.279 0.000 1.013 470 F HN 0.352 nan 8.300 nan 0.000 0.486 471 H N -1.732 117.632 119.070 0.492 0.000 2.551 471 H HA 0.114 4.670 4.556 0.000 0.000 0.266 471 H C 0.440 175.896 175.328 0.212 0.000 0.964 471 H CA 0.215 56.462 56.048 0.332 0.000 1.180 471 H CB -0.056 29.884 29.762 0.297 0.000 1.408 471 H HN 0.126 nan 8.280 nan 0.000 0.563 472 Q N 2.056 122.046 119.800 0.317 0.000 2.294 472 Q HA 0.107 4.447 4.340 0.000 0.000 0.257 472 Q C -0.699 175.442 176.000 0.235 0.000 0.955 472 Q CA -0.216 55.721 55.803 0.223 0.000 0.936 472 Q CB 0.521 29.372 28.738 0.189 0.000 1.188 472 Q HN 0.333 nan 8.270 nan 0.000 0.420 473 E N 3.847 124.125 120.200 0.130 0.000 2.373 473 E HA 0.344 4.694 4.350 0.000 0.000 0.267 473 E C -0.341 176.341 176.600 0.137 0.000 1.032 473 E CA 0.011 56.463 56.400 0.087 0.000 0.889 473 E CB 0.689 30.409 29.700 0.033 0.000 0.984 473 E HN 0.676 nan 8.360 nan 0.000 0.425 474 M N 0.779 120.478 119.600 0.164 0.000 2.520 474 M HA 0.423 4.903 4.480 0.000 0.000 0.283 474 M C -1.756 174.664 176.300 0.200 0.000 1.237 474 M CA -1.239 54.186 55.300 0.208 0.000 0.885 474 M CB 1.180 33.940 32.600 0.266 0.000 1.727 474 M HN 0.163 nan 8.290 nan 0.000 0.468 475 L N 2.893 124.270 121.223 0.258 0.000 2.272 475 L HA 0.484 4.824 4.340 0.000 0.000 0.289 475 L C -0.394 176.641 176.870 0.276 0.000 1.032 475 L CA 0.094 55.115 54.840 0.301 0.000 0.810 475 L CB 1.049 43.349 42.059 0.402 0.000 1.205 475 L HN 0.748 nan 8.230 nan 0.000 0.422 476 N N 3.621 122.453 118.700 0.219 0.000 2.422 476 N HA 0.487 5.227 4.740 0.000 0.000 0.266 476 N C -1.564 174.059 175.510 0.188 0.000 1.007 476 N CA -0.201 52.904 53.050 0.092 0.000 0.941 476 N CB 0.503 39.041 38.487 0.085 0.000 1.115 476 N HN 0.382 nan 8.380 nan 0.000 0.492 477 Y N 0.007 120.323 120.300 0.026 0.000 2.519 477 Y HA 0.470 5.020 4.550 0.000 0.000 0.336 477 Y C -1.143 174.733 175.900 -0.039 0.000 1.089 477 Y CA -1.370 56.721 58.100 -0.015 0.000 1.025 477 Y CB 0.360 38.808 38.460 -0.019 0.000 1.318 477 Y HN 0.006 nan 8.280 nan 0.000 0.452 478 V N 5.181 125.085 119.914 -0.017 0.000 2.387 478 V HA 0.219 4.339 4.120 0.000 0.000 0.260 478 V C 0.461 176.468 176.094 -0.145 0.000 1.054 478 V CA -0.134 61.982 62.300 -0.307 0.000 0.967 478 V CB -0.256 31.178 31.823 -0.648 0.000 1.036 478 V HN 0.784 nan 8.190 nan 0.000 0.481 479 L N 3.125 124.346 121.223 -0.004 0.000 2.985 479 L HA 0.668 5.008 4.340 0.000 0.000 0.201 479 L C 0.524 177.408 176.870 0.024 0.000 1.291 479 L CA -0.287 54.584 54.840 0.053 0.000 1.141 479 L CB 0.933 43.044 42.059 0.087 0.000 2.131 479 L HN 0.614 nan 8.230 nan 0.000 0.538 480 S N -0.410 115.311 115.700 0.035 0.000 2.543 480 S HA 0.441 4.911 4.470 0.000 0.000 0.273 480 S C -2.758 171.841 174.600 -0.002 0.000 1.152 480 S CA -1.068 57.144 58.200 0.019 0.000 0.910 480 S CB 1.757 64.957 63.200 0.001 0.000 1.105 480 S HN 0.243 nan 8.310 nan 0.000 0.465 481 P HA 0.336 nan 4.420 nan 0.000 0.271 481 P C -1.046 176.184 177.300 -0.116 0.000 1.233 481 P CA -0.143 62.868 63.100 -0.148 0.000 0.789 481 P CB 0.259 31.783 31.700 -0.294 0.000 0.951 482 F N 0.364 120.115 119.950 -0.332 0.000 2.631 482 F HA 0.406 4.933 4.527 0.000 0.000 0.308 482 F C -1.267 174.254 175.800 -0.465 0.000 1.097 482 F CA -0.951 56.782 58.000 -0.445 0.000 0.952 482 F CB 1.521 40.205 39.000 -0.527 0.000 1.307 482 F HN 0.101 nan 8.300 nan 0.000 0.450 483 Y N 4.649 124.438 120.300 -0.852 0.000 2.804 483 Y HA 0.345 4.895 4.550 0.000 0.000 0.330 483 Y C -0.762 174.860 175.900 -0.464 0.000 1.092 483 Y CA -0.880 56.909 58.100 -0.519 0.000 1.315 483 Y CB -0.427 37.668 38.460 -0.607 0.000 1.188 483 Y HN 0.366 nan 8.280 nan 0.000 0.512 484 Y N 0.398 120.818 120.300 0.200 0.000 2.281 484 Y HA 0.158 4.708 4.550 0.000 0.000 0.337 484 Y C 0.302 176.247 175.900 0.076 0.000 1.304 484 Y CA -0.304 57.944 58.100 0.248 0.000 1.465 484 Y CB 0.472 39.082 38.460 0.251 0.000 1.350 484 Y HN 0.366 nan 8.280 nan 0.000 0.575 485 Y N 0.107 120.574 120.300 0.280 0.000 2.436 485 Y HA 0.404 4.954 4.550 0.000 0.000 0.336 485 Y C -0.285 175.684 175.900 0.114 0.000 1.318 485 Y CA -0.806 57.373 58.100 0.132 0.000 1.493 485 Y CB 0.871 39.377 38.460 0.076 0.000 1.547 485 Y HN 0.425 nan 8.280 nan 0.000 0.549 486 Q N -0.259 119.686 119.800 0.242 0.000 2.472 486 Q HA 0.468 4.808 4.340 0.000 0.000 0.281 486 Q C -1.656 174.329 176.000 -0.025 0.000 0.997 486 Q CA -0.918 54.938 55.803 0.088 0.000 0.828 486 Q CB 1.870 30.645 28.738 0.061 0.000 1.443 486 Q HN 0.506 nan 8.270 nan 0.000 0.390 487 I N 1.886 122.411 120.570 -0.075 0.000 2.741 487 I HA -0.076 4.094 4.170 0.000 0.000 0.288 487 I C 0.402 176.335 176.117 -0.306 0.000 1.192 487 I CA 0.356 61.559 61.300 -0.162 0.000 1.426 487 I CB 0.084 38.004 38.000 -0.134 0.000 1.367 487 I HN 0.508 nan 8.210 nan 0.000 0.563 488 E N 9.292 129.213 120.200 -0.465 0.000 2.606 488 E HA -0.076 4.274 4.350 0.000 0.000 0.248 488 E C -1.277 174.743 176.600 -0.966 0.000 1.005 488 E CA -0.940 54.920 56.400 -0.899 0.000 0.946 488 E CB 0.145 29.045 29.700 -1.333 0.000 0.928 488 E HN 0.473 nan 8.360 nan 0.000 0.494 489 P HA -0.224 nan 4.420 nan 0.000 0.218 489 P C 0.972 177.769 177.300 -0.838 0.000 1.154 489 P CA 1.706 64.273 63.100 -0.889 0.000 0.872 489 P CB -0.258 30.642 31.700 -1.334 0.000 0.790 490 W N 0.518 121.300 121.300 -0.864 0.000 2.747 490 W HA 0.115 4.775 4.660 0.000 0.000 0.244 490 W C 1.664 178.179 176.519 -0.007 0.000 1.270 490 W CA 0.231 57.363 57.345 -0.356 0.000 1.333 490 W CB -1.197 28.219 29.460 -0.073 0.000 1.139 490 W HN -0.037 nan 8.180 nan 0.000 0.662 491 K N 0.553 120.840 120.400 -0.188 0.000 2.102 491 K HA 0.027 4.347 4.320 0.000 0.000 0.206 491 K C 1.095 177.709 176.600 0.024 0.000 1.031 491 K CA 1.359 57.618 56.287 -0.048 0.000 0.962 491 K CB -0.582 31.814 32.500 -0.174 0.000 0.811 491 K HN 0.029 nan 8.250 nan 0.000 0.453 492 T N 0.041 114.568 114.554 -0.046 0.000 3.477 492 T HA 0.224 4.574 4.350 0.000 0.000 0.347 492 T C -0.900 173.856 174.700 0.094 0.000 1.567 492 T CA -0.494 61.615 62.100 0.014 0.000 1.169 492 T CB -0.278 68.574 68.868 -0.028 0.000 1.196 492 T HN 0.251 nan 8.240 nan 0.000 0.768 493 H N 1.524 120.611 119.070 0.028 0.000 3.235 493 H HA 0.458 5.014 4.556 0.000 0.000 0.324 493 H C -1.689 173.680 175.328 0.069 0.000 1.059 493 H CA -0.864 55.188 56.048 0.006 0.000 1.497 493 H CB 0.720 30.459 29.762 -0.038 0.000 1.986 493 H HN 0.513 nan 8.280 nan 0.000 0.444 494 I N 5.586 125.974 120.570 -0.304 0.000 2.371 494 I HA 0.285 4.455 4.170 0.000 0.000 0.290 494 I C -0.791 175.178 176.117 -0.246 0.000 1.028 494 I CA -0.139 61.108 61.300 -0.088 0.000 1.345 494 I CB -0.085 37.895 38.000 -0.033 0.000 1.407 494 I HN 0.537 nan 8.210 nan 0.000 0.501 495 W N 0.000 121.249 121.300 -0.085 0.000 2.388 495 W HA 0.000 4.660 4.660 0.000 0.000 0.303 495 W CA 0.000 57.339 57.345 -0.010 0.000 1.226 495 W CB 0.000 29.520 29.460 0.100 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535