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 2z87_1_A DATA FIRST_RESID 59 DATA SEQUENCE AVIDIDAATK IMCSNAKAIS LNEVEKNEII SKYREITAKK SERAELKEVE DATA SEQUENCE PIPLDWPSDL TLPPLPESTN DYVWAGKRKE XXXXXXXQLI IDGLSIVIPT DATA SEQUENCE YNRAKILAIT LACLCNQKTI YDYEVIVADD GSKENIEEIV REFESLLNIK DATA SEQUENCE YVRQKDYGYQ LCAVRNLGLR AAKYNYVAIL DCDMAPNPLW VQSYMELLAV DATA SEQUENCE DDNVALIGPR KYIDTSKHTY LDFLSQKSLI NEIPEIITNN QVAGKVEQNK DATA SEQUENCE SVDWRIEHFK NTDNLRLCNT PFRFFSGGNV AFAKKWLFRA GWFDEEFTHW DATA SEQUENCE GGEDNEFGYR LYREGCYFRS VEGAMAYHQE PPXXXXXXXX XXXXNITVQL DATA SEQUENCE LQQKVPYFYR KKEKIESATL KRVPLVSIYI PAYNCSKYIV RCVESALNQT DATA SEQUENCE ITDLEVCICD DGSTDDTLRI LQEHYANHPR VRFISQKNKG IGSASNTAVR DATA SEQUENCE LCRGFYIGQL DSDDFLEPDA VELCLDEFRK DLSLACVYTT NRNIDREGNL DATA SEQUENCE ISNGYNWPIY SREKLTSAMI CHHFRMFTAR AWNLTEGFNE SISNAVDYDM DATA SEQUENCE YLKLSEVGPF KHINKICYNR VLHXXXXSIK KLDIQKENHF KVVNESLSRL DATA SEQUENCE GIKKYKYSPL TNLNECRKYT WEKI 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 59 A HA 0.000 nan 4.320 nan 0.000 0.244 59 A C 0.000 177.577 177.584 -0.012 0.000 1.274 59 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 59 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 60 V N -3.488 116.417 119.914 -0.014 0.000 6.387 60 V HA 0.549 4.726 4.120 0.094 0.000 0.080 60 V C 0.103 176.185 176.094 -0.021 0.000 0.968 60 V CA 0.388 62.677 62.300 -0.019 0.000 0.764 60 V CB -0.133 31.675 31.823 -0.026 0.000 1.166 60 V HN 1.930 nan 8.190 nan 0.000 0.709 61 I N 0.365 120.918 120.570 -0.029 0.000 3.195 61 I HA 0.901 5.127 4.170 0.094 0.000 0.313 61 I C -1.772 174.325 176.117 -0.033 0.000 1.237 61 I CA 0.190 61.471 61.300 -0.033 0.000 0.963 61 I CB 2.202 40.161 38.000 -0.068 0.000 1.278 61 I HN 0.853 nan 8.210 nan 0.000 0.460 62 D N 2.200 122.587 120.400 -0.023 0.000 3.485 62 D HA 0.521 5.218 4.640 0.094 0.000 0.358 62 D C -1.503 174.802 176.300 0.008 0.000 1.487 62 D CA -0.073 53.916 54.000 -0.018 0.000 0.922 62 D CB 1.057 41.854 40.800 -0.005 0.000 1.479 62 D HN 0.602 nan 8.370 nan 0.000 0.567 63 I N -0.900 119.681 120.570 0.017 0.000 2.785 63 I HA 0.529 4.755 4.170 0.094 0.000 0.302 63 I C -0.558 175.617 176.117 0.096 0.000 1.069 63 I CA -0.984 60.359 61.300 0.072 0.000 1.045 63 I CB 1.901 39.876 38.000 -0.043 0.000 1.236 63 I HN 0.315 nan 8.210 nan 0.000 0.429 64 D N 3.959 124.471 120.400 0.186 0.000 2.622 64 D HA -0.152 4.545 4.640 0.094 0.000 0.227 64 D C 0.996 177.359 176.300 0.106 0.000 1.159 64 D CA 0.427 54.525 54.000 0.163 0.000 0.865 64 D CB 1.114 42.043 40.800 0.216 0.000 1.207 64 D HN 0.818 nan 8.370 nan 0.000 0.492 65 A N 2.115 124.998 122.820 0.106 0.000 2.014 65 A HA 0.135 4.512 4.320 0.094 0.000 0.218 65 A C 2.278 179.845 177.584 -0.029 0.000 1.163 65 A CA 1.672 53.746 52.037 0.061 0.000 0.652 65 A CB -0.654 18.415 19.000 0.114 0.000 0.808 65 A HN 0.745 nan 8.150 nan 0.000 0.449 66 A N -0.978 121.833 122.820 -0.016 0.000 1.873 66 A HA -0.200 4.176 4.320 0.094 0.000 0.218 66 A C 2.404 179.904 177.584 -0.140 0.000 1.193 66 A CA 2.554 54.443 52.037 -0.247 0.000 0.629 66 A CB -1.375 17.619 19.000 -0.009 0.000 0.826 66 A HN 0.433 nan 8.150 nan 0.000 0.447 67 T N -1.351 113.205 114.554 0.003 0.000 2.821 67 T HA -0.121 4.285 4.350 0.094 0.000 0.267 67 T C 2.014 176.698 174.700 -0.026 0.000 1.046 67 T CA 1.986 64.105 62.100 0.031 0.000 1.139 67 T CB -0.259 68.702 68.868 0.155 0.000 0.871 67 T HN 0.496 nan 8.240 nan 0.000 0.454 68 K N 0.839 121.221 120.400 -0.031 0.000 2.063 68 K HA 0.000 4.377 4.320 0.094 0.000 0.208 68 K C 2.041 178.611 176.600 -0.051 0.000 1.048 68 K CA 1.579 57.842 56.287 -0.041 0.000 0.928 68 K CB -0.550 31.936 32.500 -0.023 0.000 0.713 68 K HN 0.459 nan 8.250 nan 0.000 0.442 69 I N 0.156 120.680 120.570 -0.076 0.000 2.252 69 I HA -0.272 3.954 4.170 0.094 0.000 0.245 69 I C 2.338 178.412 176.117 -0.072 0.000 1.102 69 I CA 1.309 62.558 61.300 -0.084 0.000 1.385 69 I CB -0.243 37.673 38.000 -0.140 0.000 1.064 69 I HN 0.242 nan 8.210 nan 0.000 0.414 70 M N -0.466 119.089 119.600 -0.074 0.000 2.117 70 M HA -0.237 4.299 4.480 0.094 0.000 0.262 70 M C 2.542 178.821 176.300 -0.035 0.000 1.065 70 M CA 1.554 56.824 55.300 -0.050 0.000 1.114 70 M CB -0.671 31.907 32.600 -0.037 0.000 1.361 70 M HN 0.364 nan 8.290 nan 0.000 0.408 71 C N -0.315 118.965 119.300 -0.034 0.000 2.432 71 C HA -0.092 4.424 4.460 0.094 0.000 0.280 71 C C 3.307 178.280 174.990 -0.029 0.000 1.353 71 C CA 1.425 60.426 59.018 -0.029 0.000 1.766 71 C CB -0.827 26.891 27.740 -0.037 0.000 1.924 71 C HN 0.648 nan 8.230 nan 0.000 0.509 72 S N 1.332 117.012 115.700 -0.033 0.000 2.345 72 S HA -0.120 4.407 4.470 0.094 0.000 0.219 72 S C 1.736 176.320 174.600 -0.028 0.000 1.031 72 S CA 1.471 59.653 58.200 -0.029 0.000 0.984 72 S CB -0.433 62.748 63.200 -0.031 0.000 0.874 72 S HN 0.638 nan 8.310 nan 0.000 0.451 73 N N 1.916 120.597 118.700 -0.032 0.000 2.348 73 N HA -0.043 4.754 4.740 0.094 0.000 0.185 73 N C 1.723 177.217 175.510 -0.026 0.000 1.019 73 N CA 1.169 54.202 53.050 -0.029 0.000 0.880 73 N CB -0.632 37.834 38.487 -0.034 0.000 0.965 73 N HN 0.586 nan 8.380 nan 0.000 0.437 74 A N 1.759 124.564 122.820 -0.025 0.000 1.835 74 A HA -0.043 4.333 4.320 0.094 0.000 0.213 74 A C 0.867 178.439 177.584 -0.020 0.000 1.210 74 A CA 0.575 52.600 52.037 -0.021 0.000 0.605 74 A CB -0.357 18.632 19.000 -0.019 0.000 0.860 74 A HN 0.180 nan 8.150 nan 0.000 0.447 75 K N 0.701 121.090 120.400 -0.019 0.000 2.473 75 K HA 0.165 4.541 4.320 0.094 0.000 0.277 75 K C 0.832 177.422 176.600 -0.017 0.000 1.052 75 K CA 0.150 56.427 56.287 -0.017 0.000 1.114 75 K CB 0.340 32.829 32.500 -0.017 0.000 0.869 75 K HN 0.386 nan 8.250 nan 0.000 0.481 76 A N 4.311 127.122 122.820 -0.016 0.000 2.248 76 A HA -0.036 4.340 4.320 0.094 0.000 0.210 76 A C 0.848 178.424 177.584 -0.014 0.000 1.174 76 A CA 0.526 52.554 52.037 -0.016 0.000 0.750 76 A CB -0.678 18.313 19.000 -0.015 0.000 0.780 76 A HN 0.731 nan 8.150 nan 0.000 0.478 77 I N -0.034 120.528 120.570 -0.014 0.000 2.347 77 I HA 0.268 4.494 4.170 0.094 0.000 0.283 77 I C -0.082 176.027 176.117 -0.013 0.000 1.058 77 I CA -0.628 60.664 61.300 -0.013 0.000 1.202 77 I CB 0.789 38.782 38.000 -0.011 0.000 1.386 77 I HN 0.095 nan 8.210 nan 0.000 0.475 78 S N 6.195 121.887 115.700 -0.013 0.000 2.737 78 S HA 0.088 4.615 4.470 0.094 0.000 0.315 78 S C 0.018 174.611 174.600 -0.012 0.000 1.236 78 S CA -0.488 57.704 58.200 -0.014 0.000 1.093 78 S CB 0.436 63.629 63.200 -0.013 0.000 0.832 78 S HN 0.658 nan 8.310 nan 0.000 0.507 79 L N 3.445 124.660 121.223 -0.014 0.000 2.453 79 L HA 0.075 4.472 4.340 0.094 0.000 0.272 79 L C 0.766 177.630 176.870 -0.010 0.000 1.182 79 L CA -0.538 54.294 54.840 -0.013 0.000 0.858 79 L CB 0.271 42.322 42.059 -0.014 0.000 1.120 79 L HN 0.900 nan 8.230 nan 0.000 0.474 80 N N 3.900 122.594 118.700 -0.009 0.000 2.374 80 N HA -0.182 4.615 4.740 0.094 0.000 0.269 80 N C 0.646 176.153 175.510 -0.006 0.000 1.310 80 N CA 0.530 53.575 53.050 -0.007 0.000 0.877 80 N CB 0.619 39.103 38.487 -0.006 0.000 1.096 80 N HN 0.805 nan 8.380 nan 0.000 0.484 81 E N 2.677 122.873 120.200 -0.006 0.000 2.172 81 E HA -0.304 4.102 4.350 0.094 0.000 0.213 81 E C 1.064 177.663 176.600 -0.002 0.000 1.051 81 E CA 2.392 58.790 56.400 -0.004 0.000 0.860 81 E CB -0.006 29.692 29.700 -0.004 0.000 0.755 81 E HN 0.539 nan 8.360 nan 0.000 0.462 82 V N 0.688 120.601 119.914 -0.002 0.000 2.317 82 V HA -0.319 3.857 4.120 0.094 0.000 0.251 82 V C 2.236 178.331 176.094 0.001 0.000 1.065 82 V CA 2.498 64.798 62.300 0.000 0.000 1.049 82 V CB -0.692 31.130 31.823 -0.001 0.000 0.651 82 V HN 0.335 nan 8.190 nan 0.000 0.450 83 E N -0.132 120.068 120.200 -0.001 0.000 2.016 83 E HA -0.193 4.214 4.350 0.094 0.000 0.190 83 E C 2.327 178.928 176.600 0.001 0.000 0.985 83 E CA 1.093 57.492 56.400 -0.000 0.000 0.802 83 E CB -0.208 29.489 29.700 -0.004 0.000 0.762 83 E HN 0.505 nan 8.360 nan 0.000 0.448 84 K N 0.814 121.213 120.400 -0.002 0.000 2.032 84 K HA -0.275 4.102 4.320 0.094 0.000 0.218 84 K C 1.937 178.540 176.600 0.005 0.000 1.054 84 K CA 1.971 58.256 56.287 -0.003 0.000 0.941 84 K CB -0.065 32.431 32.500 -0.007 0.000 0.720 84 K HN 0.007 nan 8.250 nan 0.000 0.449 85 N N 0.870 119.574 118.700 0.008 0.000 2.036 85 N HA -0.222 4.575 4.740 0.094 0.000 0.195 85 N C 1.670 177.193 175.510 0.023 0.000 1.037 85 N CA 1.332 54.391 53.050 0.015 0.000 0.855 85 N CB -0.456 38.038 38.487 0.012 0.000 1.033 85 N HN 0.369 nan 8.380 nan 0.000 0.423 86 E N 0.731 120.941 120.200 0.017 0.000 2.130 86 E HA -0.177 4.230 4.350 0.094 0.000 0.196 86 E C 1.894 178.512 176.600 0.031 0.000 0.998 86 E CA 0.945 57.357 56.400 0.020 0.000 0.806 86 E CB -0.072 29.636 29.700 0.013 0.000 0.738 86 E HN 0.383 nan 8.360 nan 0.000 0.459 87 I N 0.560 121.148 120.570 0.030 0.000 2.333 87 I HA -0.223 4.003 4.170 0.094 0.000 0.246 87 I C 2.479 178.641 176.117 0.075 0.000 1.106 87 I CA 0.552 61.877 61.300 0.042 0.000 1.411 87 I CB -0.254 37.759 38.000 0.021 0.000 1.082 87 I HN 0.116 nan 8.210 nan 0.000 0.420 88 I N 0.345 120.954 120.570 0.063 0.000 2.163 88 I HA -0.342 3.885 4.170 0.094 0.000 0.243 88 I C 2.845 179.055 176.117 0.155 0.000 1.085 88 I CA 1.644 63.007 61.300 0.106 0.000 1.347 88 I CB -0.556 37.484 38.000 0.067 0.000 1.044 88 I HN 0.239 nan 8.210 nan 0.000 0.408 89 S N 1.067 116.821 115.700 0.091 0.000 2.353 89 S HA -0.284 4.243 4.470 0.094 0.000 0.222 89 S C 2.116 176.758 174.600 0.070 0.000 1.035 89 S CA 2.053 60.295 58.200 0.069 0.000 1.025 89 S CB -0.215 63.009 63.200 0.040 0.000 0.902 89 S HN 0.232 nan 8.310 nan 0.000 0.440 90 K N 0.123 120.568 120.400 0.075 0.000 2.160 90 K HA -0.148 4.228 4.320 0.094 0.000 0.206 90 K C 1.823 178.482 176.600 0.098 0.000 1.047 90 K CA 1.795 58.123 56.287 0.068 0.000 0.930 90 K CB -0.873 31.666 32.500 0.065 0.000 0.720 90 K HN 0.668 nan 8.250 nan 0.000 0.450 91 Y N 0.703 121.010 120.300 0.013 0.000 2.130 91 Y HA -0.090 4.517 4.550 0.094 0.000 0.287 91 Y C 1.842 177.751 175.900 0.015 0.000 1.124 91 Y CA 1.478 59.589 58.100 0.017 0.000 1.118 91 Y CB -0.181 38.291 38.460 0.019 0.000 0.994 91 Y HN -0.065 nan 8.280 nan 0.000 0.497 92 R N 0.918 121.372 120.500 -0.076 0.000 2.119 92 R HA -0.234 4.163 4.340 0.094 0.000 0.246 92 R C 2.043 178.247 176.300 -0.160 0.000 1.146 92 R CA 2.096 58.096 56.100 -0.168 0.000 0.962 92 R CB -0.884 29.410 30.300 -0.011 0.000 0.863 92 R HN 0.798 nan 8.270 nan 0.000 0.442 93 E N -0.043 120.105 120.200 -0.086 0.000 2.216 93 E HA -0.060 4.347 4.350 0.094 0.000 0.192 93 E C 1.949 178.503 176.600 -0.077 0.000 0.988 93 E CA 0.601 56.962 56.400 -0.065 0.000 0.834 93 E CB -0.387 29.296 29.700 -0.028 0.000 0.772 93 E HN 0.350 nan 8.360 nan 0.000 0.479 94 I N 1.834 122.347 120.570 -0.095 0.000 2.876 94 I HA -0.053 4.174 4.170 0.094 0.000 0.264 94 I C 0.924 176.971 176.117 -0.115 0.000 1.204 94 I CA 1.317 62.571 61.300 -0.076 0.000 1.485 94 I CB 0.307 38.287 38.000 -0.033 0.000 1.103 94 I HN 0.190 nan 8.210 nan 0.000 0.446 95 T N -2.399 112.022 114.554 -0.221 0.000 3.316 95 T HA 0.565 4.972 4.350 0.094 0.000 0.253 95 T C 0.699 175.292 174.700 -0.177 0.000 0.995 95 T CA 0.019 61.986 62.100 -0.223 0.000 1.031 95 T CB 0.801 69.432 68.868 -0.395 0.000 1.125 95 T HN 0.183 nan 8.240 nan 0.000 0.539 96 A N 1.383 124.133 122.820 -0.116 0.000 1.942 96 A HA 0.362 4.738 4.320 0.094 0.000 0.209 96 A C 1.213 178.766 177.584 -0.052 0.000 1.214 96 A CA 0.020 52.008 52.037 -0.082 0.000 0.686 96 A CB -0.122 18.839 19.000 -0.065 0.000 0.871 96 A HN 0.560 nan 8.150 nan 0.000 0.460 97 K N 0.837 121.212 120.400 -0.041 0.000 2.542 97 K HA 0.025 4.402 4.320 0.094 0.000 0.276 97 K C -0.665 175.921 176.600 -0.024 0.000 0.963 97 K CA 0.732 57.004 56.287 -0.026 0.000 0.975 97 K CB 0.190 32.680 32.500 -0.016 0.000 0.901 97 K HN 0.270 nan 8.250 nan 0.000 0.506 98 K N 1.524 121.914 120.400 -0.017 0.000 2.316 98 K HA 0.195 4.571 4.320 0.094 0.000 0.251 98 K C -0.862 175.733 176.600 -0.008 0.000 0.934 98 K CA -0.754 55.525 56.287 -0.013 0.000 0.802 98 K CB 1.993 34.486 32.500 -0.013 0.000 1.171 98 K HN 0.500 nan 8.250 nan 0.000 0.426 99 S N 2.496 118.194 115.700 -0.002 0.000 2.546 99 S HA -0.067 4.460 4.470 0.094 0.000 0.290 99 S C -0.042 174.557 174.600 -0.002 0.000 1.290 99 S CA -0.047 58.154 58.200 0.002 0.000 1.069 99 S CB 0.043 63.253 63.200 0.018 0.000 0.846 99 S HN 0.527 nan 8.310 nan 0.000 0.495 100 E N 4.548 124.745 120.200 -0.004 0.000 2.229 100 E HA 0.211 4.618 4.350 0.094 0.000 0.283 100 E C 0.054 176.650 176.600 -0.007 0.000 1.030 100 E CA -0.962 55.433 56.400 -0.008 0.000 0.836 100 E CB 0.631 30.325 29.700 -0.010 0.000 1.068 100 E HN 0.587 nan 8.360 nan 0.000 0.401 101 R N 2.087 122.578 120.500 -0.014 0.000 2.873 101 R HA 0.298 4.694 4.340 0.094 0.000 0.267 101 R C -0.205 176.082 176.300 -0.022 0.000 1.009 101 R CA -0.027 56.060 56.100 -0.022 0.000 1.152 101 R CB 0.084 30.364 30.300 -0.033 0.000 1.047 101 R HN 0.563 nan 8.270 nan 0.000 0.470 102 A N 0.955 123.757 122.820 -0.030 0.000 2.288 102 A HA 0.269 4.645 4.320 0.094 0.000 0.328 102 A C -0.674 176.882 177.584 -0.045 0.000 1.123 102 A CA -0.981 51.039 52.037 -0.030 0.000 0.861 102 A CB 0.588 19.576 19.000 -0.020 0.000 1.272 102 A HN 0.800 nan 8.150 nan 0.000 0.490 103 E N 1.250 121.425 120.200 -0.041 0.000 2.603 103 E HA 0.128 4.535 4.350 0.094 0.000 0.242 103 E C -0.757 175.802 176.600 -0.069 0.000 1.083 103 E CA 0.226 56.598 56.400 -0.047 0.000 0.950 103 E CB -0.469 29.209 29.700 -0.037 0.000 0.952 103 E HN 0.424 nan 8.360 nan 0.000 0.498 104 L N 3.032 124.213 121.223 -0.070 0.000 2.562 104 L HA 0.119 4.516 4.340 0.094 0.000 0.271 104 L C 0.427 177.239 176.870 -0.097 0.000 1.167 104 L CA 0.148 54.935 54.840 -0.088 0.000 0.917 104 L CB -0.301 41.714 42.059 -0.074 0.000 1.187 104 L HN 0.339 nan 8.230 nan 0.000 0.482 105 K N 2.509 122.828 120.400 -0.134 0.000 2.642 105 K HA 0.655 5.031 4.320 0.094 0.000 0.273 105 K C -0.615 175.888 176.600 -0.162 0.000 1.029 105 K CA -0.748 55.448 56.287 -0.151 0.000 1.071 105 K CB 0.711 33.084 32.500 -0.211 0.000 1.451 105 K HN 0.545 nan 8.250 nan 0.000 0.559 106 E N 0.251 120.340 120.200 -0.184 0.000 2.406 106 E HA 0.383 4.790 4.350 0.094 0.000 0.297 106 E C -1.868 174.624 176.600 -0.180 0.000 0.917 106 E CA -0.546 55.759 56.400 -0.159 0.000 0.795 106 E CB 1.222 30.866 29.700 -0.093 0.000 1.285 106 E HN 0.395 nan 8.360 nan 0.000 0.400 107 V N 0.452 120.245 119.914 -0.201 0.000 3.230 107 V HA 0.491 4.668 4.120 0.094 0.000 0.302 107 V C -0.837 175.250 176.094 -0.011 0.000 1.421 107 V CA -1.263 60.947 62.300 -0.149 0.000 1.065 107 V CB 1.589 33.181 31.823 -0.385 0.000 1.097 107 V HN 0.693 nan 8.190 nan 0.000 0.460 108 E N 2.452 122.729 120.200 0.128 0.000 2.059 108 E HA 0.182 4.589 4.350 0.094 0.000 0.262 108 E C -1.738 175.035 176.600 0.288 0.000 1.230 108 E CA -1.115 55.400 56.400 0.190 0.000 0.951 108 E CB 0.335 30.169 29.700 0.224 0.000 1.038 108 E HN 0.576 nan 8.360 nan 0.000 0.425 109 P HA -0.214 nan 4.420 nan 0.000 0.216 109 P C 0.415 177.781 177.300 0.110 0.000 1.167 109 P CA 1.318 64.520 63.100 0.171 0.000 0.914 109 P CB 0.173 31.906 31.700 0.055 0.000 0.793 110 I N 0.752 121.331 120.570 0.015 0.000 2.388 110 I HA 0.287 4.514 4.170 0.094 0.000 0.281 110 I C -2.345 173.776 176.117 0.007 0.000 1.046 110 I CA -2.648 58.587 61.300 -0.107 0.000 1.187 110 I CB 1.085 38.937 38.000 -0.248 0.000 1.351 110 I HN -0.220 nan 8.210 nan 0.000 0.472 111 P HA -0.165 nan 4.420 nan 0.000 0.261 111 P C 0.698 178.133 177.300 0.225 0.000 1.140 111 P CA 0.134 63.353 63.100 0.198 0.000 0.757 111 P CB 0.367 32.242 31.700 0.291 0.000 0.735 112 L N 4.032 125.368 121.223 0.188 0.000 2.042 112 L HA -0.206 4.191 4.340 0.094 0.000 0.210 112 L C 1.910 178.887 176.870 0.177 0.000 1.076 112 L CA 2.282 57.216 54.840 0.156 0.000 0.749 112 L CB -1.703 40.427 42.059 0.118 0.000 0.893 112 L HN 0.494 nan 8.230 nan 0.000 0.432 113 D N -2.176 118.350 120.400 0.209 0.000 2.311 113 D HA -0.268 4.428 4.640 0.094 0.000 0.212 113 D C 1.114 177.552 176.300 0.229 0.000 0.972 113 D CA 0.110 54.236 54.000 0.210 0.000 0.887 113 D CB -0.562 40.358 40.800 0.201 0.000 0.915 113 D HN 0.336 nan 8.370 nan 0.000 0.497 114 W N 2.489 123.808 121.300 0.032 0.000 2.397 114 W HA 0.159 4.875 4.660 0.094 0.000 0.327 114 W C -2.291 174.007 176.519 -0.367 0.000 1.421 114 W CA -1.898 55.294 57.345 -0.255 0.000 1.288 114 W CB 0.203 29.567 29.460 -0.160 0.000 1.312 114 W HN -0.031 nan 8.180 nan 0.000 0.559 115 P HA -0.075 nan 4.420 nan 0.000 0.263 115 P C 0.241 177.267 177.300 -0.455 0.000 1.175 115 P CA 0.755 63.399 63.100 -0.761 0.000 0.761 115 P CB 0.639 31.536 31.700 -1.339 0.000 0.794 116 S N 0.945 116.533 115.700 -0.186 0.000 2.575 116 S HA -0.027 4.500 4.470 0.094 0.000 0.215 116 S C 0.763 175.319 174.600 -0.072 0.000 0.966 116 S CA 0.291 58.455 58.200 -0.061 0.000 0.911 116 S CB -0.322 62.874 63.200 -0.007 0.000 0.780 116 S HN 0.621 nan 8.310 nan 0.000 0.514 117 D N 0.118 120.429 120.400 -0.149 0.000 2.433 117 D HA 0.114 4.811 4.640 0.094 0.000 0.211 117 D C 0.320 176.519 176.300 -0.168 0.000 1.114 117 D CA -0.199 53.748 54.000 -0.088 0.000 0.837 117 D CB 0.078 40.886 40.800 0.013 0.000 0.984 117 D HN 0.226 nan 8.370 nan 0.000 0.505 118 L N 1.524 122.523 121.223 -0.374 0.000 2.287 118 L HA 0.480 4.877 4.340 0.094 0.000 0.287 118 L C -1.300 175.500 176.870 -0.116 0.000 1.022 118 L CA 0.192 54.774 54.840 -0.429 0.000 0.814 118 L CB 1.395 42.821 42.059 -1.056 0.000 1.217 118 L HN -0.188 nan 8.230 nan 0.000 0.420 119 T N 5.722 120.269 114.554 -0.012 0.000 2.963 119 T HA 0.319 4.725 4.350 0.094 0.000 0.328 119 T C -0.142 174.612 174.700 0.091 0.000 1.048 119 T CA -0.595 61.559 62.100 0.089 0.000 1.033 119 T CB 1.023 69.923 68.868 0.054 0.000 1.010 119 T HN 0.273 nan 8.240 nan 0.000 0.469 120 L N 4.182 125.494 121.223 0.148 0.000 2.543 120 L HA 0.196 4.593 4.340 0.094 0.000 0.285 120 L C -1.898 175.031 176.870 0.097 0.000 1.236 120 L CA -1.664 53.249 54.840 0.122 0.000 0.871 120 L CB -0.814 41.324 42.059 0.133 0.000 1.121 120 L HN 0.375 nan 8.230 nan 0.000 0.501 121 P HA 0.021 nan 4.420 nan 0.000 0.256 121 P C -2.282 175.132 177.300 0.190 0.000 1.173 121 P CA -0.602 62.571 63.100 0.122 0.000 0.768 121 P CB -0.187 31.572 31.700 0.099 0.000 0.758 122 P HA -0.056 nan 4.420 nan 0.000 0.263 122 P C 0.238 177.685 177.300 0.244 0.000 1.175 122 P CA 0.488 63.683 63.100 0.159 0.000 0.761 122 P CB 0.364 32.140 31.700 0.127 0.000 0.794 123 L N 4.822 126.080 121.223 0.059 0.000 2.456 123 L HA 0.252 4.649 4.340 0.094 0.000 0.246 123 L C -1.654 174.848 176.870 -0.613 0.000 1.238 123 L CA -1.660 53.057 54.840 -0.206 0.000 0.826 123 L CB -0.278 41.675 42.059 -0.177 0.000 1.150 123 L HN 0.302 nan 8.230 nan 0.000 0.514 124 P HA 0.115 nan 4.420 nan 0.000 0.282 124 P C -0.764 176.329 177.300 -0.346 0.000 1.249 124 P CA -0.416 62.137 63.100 -0.912 0.000 0.806 124 P CB 0.787 31.766 31.700 -1.201 0.000 0.984 125 E N 0.426 120.530 120.200 -0.160 0.000 2.511 125 E HA 0.047 4.453 4.350 0.094 0.000 0.196 125 E C 0.525 177.103 176.600 -0.036 0.000 1.066 125 E CA 0.323 56.678 56.400 -0.075 0.000 0.871 125 E CB 0.056 29.732 29.700 -0.041 0.000 0.863 125 E HN 0.575 nan 8.360 nan 0.000 0.520 126 S N -1.934 113.745 115.700 -0.035 0.000 2.663 126 S HA 0.043 4.570 4.470 0.094 0.000 0.264 126 S C 0.663 175.302 174.600 0.064 0.000 1.112 126 S CA -0.351 57.870 58.200 0.035 0.000 0.823 126 S CB 0.833 64.070 63.200 0.062 0.000 1.111 126 S HN -0.003 nan 8.310 nan 0.000 0.476 127 T N -1.341 113.295 114.554 0.137 0.000 3.085 127 T HA 0.121 4.528 4.350 0.094 0.000 0.263 127 T C 0.856 175.669 174.700 0.188 0.000 1.127 127 T CA 1.471 63.664 62.100 0.155 0.000 1.103 127 T CB -0.687 68.334 68.868 0.255 0.000 0.921 127 T HN 0.627 nan 8.240 nan 0.000 0.510 128 N N 1.133 120.002 118.700 0.281 0.000 2.200 128 N HA 0.088 4.884 4.740 0.094 0.000 0.224 128 N C -0.663 175.193 175.510 0.577 0.000 1.179 128 N CA -0.329 52.978 53.050 0.428 0.000 0.877 128 N CB 0.094 38.841 38.487 0.433 0.000 1.072 128 N HN 0.192 nan 8.380 nan 0.000 0.519 129 D N 0.367 120.995 120.400 0.379 0.000 2.356 129 D HA -0.120 4.577 4.640 0.094 0.000 0.272 129 D C 0.788 177.221 176.300 0.222 0.000 1.337 129 D CA -0.023 54.076 54.000 0.166 0.000 0.970 129 D CB -0.062 40.784 40.800 0.077 0.000 1.092 129 D HN 0.451 nan 8.370 nan 0.000 0.516 130 Y N 1.616 121.999 120.300 0.139 0.000 2.523 130 Y HA 0.140 4.747 4.550 0.096 0.000 0.279 130 Y C 1.680 177.523 175.900 -0.095 0.000 1.139 130 Y CA -0.386 57.612 58.100 -0.170 0.000 1.296 130 Y CB -0.387 38.011 38.460 -0.103 0.000 1.045 130 Y HN 0.175 nan 8.280 nan 0.000 0.538 131 V N 0.298 120.137 119.914 -0.125 0.000 2.323 131 V HA -0.239 3.937 4.120 0.094 0.000 0.244 131 V C 2.222 178.339 176.094 0.039 0.000 1.041 131 V CA 2.001 64.287 62.300 -0.023 0.000 1.025 131 V CB -0.695 31.080 31.823 -0.080 0.000 0.656 131 V HN 0.747 nan 8.190 nan 0.000 0.451 132 W N 1.051 122.289 121.300 -0.103 0.000 2.374 132 W HA -0.178 4.538 4.660 0.093 0.000 0.288 132 W C 2.261 178.735 176.519 -0.076 0.000 1.218 132 W CA 1.774 59.083 57.345 -0.061 0.000 1.245 132 W CB -0.199 29.247 29.460 -0.022 0.000 1.126 132 W HN 0.197 nan 8.180 nan 0.000 0.545 133 A N 0.522 123.304 122.820 -0.063 0.000 1.969 133 A HA 0.026 4.402 4.320 0.094 0.000 0.218 133 A C 2.209 179.595 177.584 -0.329 0.000 1.169 133 A CA 1.681 53.508 52.037 -0.351 0.000 0.635 133 A CB -1.546 17.092 19.000 -0.602 0.000 0.810 133 A HN 0.412 nan 8.150 nan 0.000 0.445 134 G N 0.066 108.744 108.800 -0.203 0.000 2.402 134 G HA2 -0.182 3.835 3.960 0.094 0.000 0.216 134 G HA3 -0.182 3.835 3.960 0.094 0.000 0.216 134 G C 1.622 176.415 174.900 -0.179 0.000 1.162 134 G CA 0.930 45.943 45.100 -0.145 0.000 0.777 134 G HN 0.439 nan 8.290 nan 0.000 0.539 135 K N 0.749 121.015 120.400 -0.223 0.000 1.991 135 K HA -0.066 4.310 4.320 0.094 0.000 0.212 135 K C 1.160 177.593 176.600 -0.278 0.000 1.049 135 K CA 0.313 56.465 56.287 -0.226 0.000 0.932 135 K CB -0.424 31.928 32.500 -0.247 0.000 0.717 135 K HN 0.192 nan 8.250 nan 0.000 0.441 136 R N 3.134 123.367 120.500 -0.445 0.000 3.716 136 R HA -0.123 4.274 4.340 0.094 0.000 0.303 136 R C 1.424 177.581 176.300 -0.239 0.000 0.831 136 R CA 0.251 56.112 56.100 -0.398 0.000 0.969 136 R CB -0.327 29.657 30.300 -0.527 0.000 0.957 136 R HN 0.358 nan 8.270 nan 0.000 0.374 137 K N 1.510 121.804 120.400 -0.177 0.000 1.980 137 K HA -0.227 4.150 4.320 0.094 0.000 0.231 137 K C 0.496 177.027 176.600 -0.114 0.000 1.018 137 K CA 1.179 57.392 56.287 -0.123 0.000 1.063 137 K CB -0.116 32.327 32.500 -0.096 0.000 0.731 137 K HN 0.454 nan 8.250 nan 0.000 0.456 147 L N 2.104 123.338 121.223 0.019 0.000 2.334 147 L HA 0.672 5.068 4.340 0.094 0.000 0.270 147 L C -0.338 176.571 176.870 0.065 0.000 1.018 147 L CA -1.069 53.794 54.840 0.040 0.000 0.811 147 L CB 1.473 43.577 42.059 0.074 0.000 1.271 147 L HN 0.610 nan 8.230 nan 0.000 0.443 148 I N 3.113 123.727 120.570 0.073 0.000 2.337 148 I HA 0.197 4.424 4.170 0.094 0.000 0.285 148 I C -0.178 176.047 176.117 0.181 0.000 1.041 148 I CA -0.357 60.999 61.300 0.093 0.000 1.199 148 I CB 0.952 38.986 38.000 0.056 0.000 1.370 148 I HN 0.313 nan 8.210 nan 0.000 0.470 149 I N 6.332 127.026 120.570 0.207 0.000 2.212 149 I HA 0.011 4.237 4.170 0.094 0.000 0.285 149 I C 1.050 177.300 176.117 0.221 0.000 1.116 149 I CA 0.070 61.542 61.300 0.287 0.000 1.644 149 I CB -1.166 36.967 38.000 0.221 0.000 1.485 149 I HN 0.618 nan 8.210 nan 0.000 0.728 150 D N 2.946 123.458 120.400 0.187 0.000 2.087 150 D HA 0.030 4.726 4.640 0.094 0.000 0.201 150 D C 1.029 177.233 176.300 -0.160 0.000 0.980 150 D CA 0.857 54.912 54.000 0.093 0.000 0.849 150 D CB 0.098 41.031 40.800 0.222 0.000 1.001 150 D HN 0.380 nan 8.370 nan 0.000 0.452 151 G N -1.064 107.398 108.800 -0.564 0.000 2.606 151 G HA2 0.478 4.494 3.960 0.094 0.000 0.300 151 G HA3 0.478 4.494 3.960 0.094 0.000 0.300 151 G C -1.990 172.559 174.900 -0.585 0.000 1.360 151 G CA -0.743 43.788 45.100 -0.948 0.000 0.783 151 G HN 0.241 nan 8.290 nan 0.000 0.484 152 L N 1.811 122.872 121.223 -0.270 0.000 2.366 152 L HA 0.468 4.864 4.340 0.094 0.000 0.266 152 L C -0.064 176.957 176.870 0.251 0.000 1.010 152 L CA -0.549 54.313 54.840 0.037 0.000 0.879 152 L CB 1.199 43.254 42.059 -0.007 0.000 1.228 152 L HN 0.455 nan 8.230 nan 0.000 0.439 153 S N 5.847 121.778 115.700 0.385 0.000 2.457 153 S HA 0.301 4.827 4.470 0.094 0.000 0.294 153 S C 0.177 174.896 174.600 0.199 0.000 1.201 153 S CA -0.108 58.300 58.200 0.346 0.000 1.112 153 S CB -0.243 63.117 63.200 0.268 0.000 1.018 153 S HN 0.415 nan 8.310 nan 0.000 0.511 154 I N 4.129 124.838 120.570 0.233 0.000 2.301 154 I HA 0.182 4.409 4.170 0.094 0.000 0.292 154 I C -0.244 175.961 176.117 0.146 0.000 1.046 154 I CA -0.530 60.904 61.300 0.224 0.000 1.282 154 I CB 0.832 39.051 38.000 0.365 0.000 1.409 154 I HN 0.232 nan 8.210 nan 0.000 0.484 155 V N 8.134 128.105 119.914 0.096 0.000 2.406 155 V HA 0.332 4.509 4.120 0.094 0.000 0.272 155 V C 0.243 176.355 176.094 0.030 0.000 1.043 155 V CA -0.289 62.040 62.300 0.049 0.000 0.915 155 V CB 1.135 32.970 31.823 0.020 0.000 0.988 155 V HN 0.476 nan 8.190 nan 0.000 0.466 156 I N 7.161 127.737 120.570 0.010 0.000 2.405 156 I HA 0.340 4.566 4.170 0.094 0.000 0.280 156 I C -2.573 173.527 176.117 -0.027 0.000 1.027 156 I CA -1.999 59.291 61.300 -0.016 0.000 1.161 156 I CB 1.898 39.873 38.000 -0.040 0.000 1.300 156 I HN 0.389 nan 8.210 nan 0.000 0.463 157 P HA 0.112 nan 4.420 nan 0.000 0.271 157 P C -0.836 176.451 177.300 -0.022 0.000 1.226 157 P CA 0.214 63.285 63.100 -0.049 0.000 0.765 157 P CB 0.646 32.298 31.700 -0.081 0.000 0.835 158 T N 3.214 117.767 114.554 -0.001 0.000 2.848 158 T HA 0.367 4.774 4.350 0.094 0.000 0.285 158 T C -1.370 173.373 174.700 0.071 0.000 0.995 158 T CA -0.330 61.786 62.100 0.026 0.000 0.970 158 T CB 0.858 69.736 68.868 0.017 0.000 0.976 158 T HN 0.198 nan 8.240 nan 0.000 0.441 159 Y N 4.424 124.705 120.300 -0.032 0.000 2.594 159 Y HA 0.335 4.941 4.550 0.093 0.000 0.338 159 Y C 0.384 176.280 175.900 -0.007 0.000 1.019 159 Y CA -0.338 57.748 58.100 -0.024 0.000 1.306 159 Y CB -0.208 38.230 38.460 -0.037 0.000 1.094 159 Y HN 0.825 nan 8.280 nan 0.000 0.534 160 N N 2.443 120.968 118.700 -0.292 0.000 1.275 160 N HA -0.291 4.505 4.740 0.094 0.000 0.130 160 N C -0.440 175.036 175.510 -0.056 0.000 0.862 160 N CA 1.460 54.392 53.050 -0.197 0.000 0.908 160 N CB -0.517 37.835 38.487 -0.225 0.000 1.078 160 N HN 0.842 nan 8.380 nan 0.000 0.600 161 R N -0.402 120.086 120.500 -0.020 0.000 3.322 161 R HA -0.213 4.184 4.340 0.094 0.000 0.253 161 R C 1.124 177.411 176.300 -0.021 0.000 0.987 161 R CA 0.765 56.864 56.100 -0.001 0.000 0.666 161 R CB -2.055 28.254 30.300 0.016 0.000 1.072 161 R HN 0.611 nan 8.270 nan 0.000 0.447 162 A N 0.983 123.783 122.820 -0.033 0.000 1.933 162 A HA -0.195 4.181 4.320 0.094 0.000 0.218 162 A C 1.833 179.394 177.584 -0.038 0.000 1.175 162 A CA 1.455 53.465 52.037 -0.046 0.000 0.628 162 A CB -0.174 18.794 19.000 -0.053 0.000 0.814 162 A HN 0.445 nan 8.150 nan 0.000 0.444 163 K N -0.704 119.693 120.400 -0.007 0.000 2.360 163 K HA -0.002 4.375 4.320 0.094 0.000 0.201 163 K C 1.457 178.083 176.600 0.043 0.000 1.046 163 K CA 1.078 57.383 56.287 0.031 0.000 0.945 163 K CB -0.218 32.318 32.500 0.060 0.000 0.750 163 K HN 0.599 nan 8.250 nan 0.000 0.464 164 I N -0.120 120.453 120.570 0.005 0.000 2.810 164 I HA -0.155 4.072 4.170 0.094 0.000 0.262 164 I C 2.053 178.129 176.117 -0.069 0.000 1.131 164 I CA 0.162 61.453 61.300 -0.015 0.000 1.453 164 I CB -0.059 37.927 38.000 -0.024 0.000 1.161 164 I HN 0.031 nan 8.210 nan 0.000 0.444 165 L N 1.780 122.953 121.223 -0.083 0.000 2.129 165 L HA -0.177 4.219 4.340 0.094 0.000 0.212 165 L C 2.505 179.258 176.870 -0.194 0.000 1.087 165 L CA 2.034 56.794 54.840 -0.133 0.000 0.757 165 L CB -0.687 41.304 42.059 -0.113 0.000 0.896 165 L HN 0.204 nan 8.230 nan 0.000 0.434 166 A N 0.181 122.923 122.820 -0.130 0.000 1.841 166 A HA -0.246 4.131 4.320 0.094 0.000 0.216 166 A C 2.267 179.858 177.584 0.012 0.000 1.199 166 A CA 2.405 54.388 52.037 -0.091 0.000 0.621 166 A CB -1.036 17.903 19.000 -0.103 0.000 0.835 166 A HN 0.495 nan 8.150 nan 0.000 0.445 167 I N -0.296 120.311 120.570 0.062 0.000 2.151 167 I HA -0.294 3.933 4.170 0.094 0.000 0.243 167 I C 2.611 178.604 176.117 -0.206 0.000 1.080 167 I CA 2.005 63.295 61.300 -0.017 0.000 1.339 167 I CB -0.849 37.057 38.000 -0.157 0.000 1.039 167 I HN 0.323 nan 8.210 nan 0.000 0.409 168 T N 1.238 115.652 114.554 -0.233 0.000 2.759 168 T HA -0.154 4.253 4.350 0.094 0.000 0.269 168 T C 1.910 176.444 174.700 -0.276 0.000 1.042 168 T CA 1.230 63.167 62.100 -0.272 0.000 1.140 168 T CB -0.296 68.425 68.868 -0.245 0.000 0.864 168 T HN 0.273 nan 8.240 nan 0.000 0.455 169 L N 0.321 121.328 121.223 -0.361 0.000 2.156 169 L HA 0.019 4.415 4.340 0.094 0.000 0.208 169 L C 2.949 179.655 176.870 -0.273 0.000 1.095 169 L CA 0.810 55.311 54.840 -0.565 0.000 0.770 169 L CB -0.568 40.643 42.059 -1.414 0.000 0.914 169 L HN 0.255 nan 8.230 nan 0.000 0.439 170 A N -0.663 122.163 122.820 0.010 0.000 1.841 170 A HA -0.216 4.161 4.320 0.094 0.000 0.214 170 A C 2.244 179.905 177.584 0.127 0.000 1.195 170 A CA 1.636 53.855 52.037 0.303 0.000 0.611 170 A CB -1.197 18.057 19.000 0.424 0.000 0.835 170 A HN 0.512 nan 8.150 nan 0.000 0.443 171 C N -0.385 118.896 119.300 -0.031 0.000 2.421 171 C HA 0.052 4.569 4.460 0.094 0.000 0.296 171 C C 2.202 177.165 174.990 -0.046 0.000 1.470 171 C CA 0.651 59.623 59.018 -0.076 0.000 1.779 171 C CB -1.769 25.829 27.740 -0.238 0.000 1.715 171 C HN 0.556 nan 8.230 nan 0.000 0.564 172 L N -1.360 119.851 121.223 -0.020 0.000 2.554 172 L HA 0.043 4.440 4.340 0.094 0.000 0.225 172 L C 2.052 179.048 176.870 0.210 0.000 1.104 172 L CA 0.409 55.283 54.840 0.058 0.000 0.866 172 L CB -0.091 41.981 42.059 0.022 0.000 1.047 172 L HN 0.410 nan 8.230 nan 0.000 0.468 173 C N -0.526 118.884 119.300 0.184 0.000 2.504 173 C HA -0.011 4.506 4.460 0.094 0.000 0.279 173 C C 1.908 177.017 174.990 0.197 0.000 1.358 173 C CA 0.169 59.324 59.018 0.228 0.000 1.747 173 C CB -0.981 26.909 27.740 0.249 0.000 2.037 173 C HN 0.511 nan 8.230 nan 0.000 0.503 174 N N 0.985 119.774 118.700 0.149 0.000 2.471 174 N HA -0.014 4.782 4.740 0.094 0.000 0.205 174 N C -0.168 175.400 175.510 0.096 0.000 1.251 174 N CA -0.061 53.057 53.050 0.113 0.000 0.843 174 N CB 0.045 38.586 38.487 0.091 0.000 1.044 174 N HN 0.540 nan 8.380 nan 0.000 0.461 175 Q N 1.232 121.104 119.800 0.119 0.000 2.293 175 Q HA 0.137 4.533 4.340 0.094 0.000 0.263 175 Q C -0.226 175.811 176.000 0.062 0.000 1.002 175 Q CA 0.497 56.333 55.803 0.054 0.000 0.910 175 Q CB 0.956 29.641 28.738 -0.088 0.000 1.185 175 Q HN 0.144 nan 8.270 nan 0.000 0.401 176 K N 2.172 122.596 120.400 0.040 0.000 2.296 176 K HA 0.297 4.674 4.320 0.094 0.000 0.257 176 K C -0.134 176.483 176.600 0.028 0.000 1.088 176 K CA -0.117 56.195 56.287 0.041 0.000 0.980 176 K CB 0.883 33.404 32.500 0.035 0.000 1.430 176 K HN 0.462 nan 8.250 nan 0.000 0.441 177 T N 0.363 114.939 114.554 0.036 0.000 2.841 177 T HA 0.407 4.813 4.350 0.094 0.000 0.296 177 T C 0.483 175.203 174.700 0.033 0.000 1.166 177 T CA -0.840 61.287 62.100 0.046 0.000 1.007 177 T CB 0.948 69.841 68.868 0.042 0.000 1.253 177 T HN 0.501 nan 8.240 nan 0.000 0.511 178 I N -0.553 119.996 120.570 -0.035 0.000 3.956 178 I HA 0.450 4.677 4.170 0.094 0.000 0.333 178 I C -0.665 175.245 176.117 -0.346 0.000 1.302 178 I CA -0.523 60.651 61.300 -0.209 0.000 1.122 178 I CB -0.139 37.654 38.000 -0.345 0.000 1.013 178 I HN 0.326 nan 8.210 nan 0.000 0.405 179 Y N 1.326 121.635 120.300 0.016 0.000 2.453 179 Y HA 0.496 5.102 4.550 0.094 0.000 0.326 179 Y C 0.039 176.013 175.900 0.124 0.000 1.186 179 Y CA -0.735 57.378 58.100 0.021 0.000 1.200 179 Y CB 0.636 39.072 38.460 -0.039 0.000 1.247 179 Y HN -0.050 nan 8.280 nan 0.000 0.482 180 D N 1.248 121.783 120.400 0.226 0.000 2.304 180 D HA 0.213 4.910 4.640 0.094 0.000 0.250 180 D C -1.201 175.238 176.300 0.232 0.000 1.107 180 D CA 0.278 54.397 54.000 0.198 0.000 0.885 180 D CB 0.473 41.325 40.800 0.086 0.000 1.192 180 D HN 0.414 nan 8.370 nan 0.000 0.436 181 Y N -0.892 119.462 120.300 0.091 0.000 2.470 181 Y HA 0.455 5.061 4.550 0.092 0.000 0.341 181 Y C -0.725 175.317 175.900 0.236 0.000 1.021 181 Y CA -1.333 56.847 58.100 0.134 0.000 1.025 181 Y CB 0.766 39.310 38.460 0.140 0.000 1.266 181 Y HN 0.294 nan 8.280 nan 0.000 0.448 182 E N 2.370 122.782 120.200 0.353 0.000 2.207 182 E HA 0.722 5.128 4.350 0.094 0.000 0.270 182 E C -1.721 174.996 176.600 0.195 0.000 0.927 182 E CA -1.220 55.295 56.400 0.192 0.000 0.799 182 E CB 2.495 32.318 29.700 0.204 0.000 1.172 182 E HN 0.504 nan 8.360 nan 0.000 0.404 183 V N 4.460 124.438 119.914 0.107 0.000 2.347 183 V HA 0.282 4.459 4.120 0.094 0.000 0.280 183 V C -0.069 176.069 176.094 0.074 0.000 1.021 183 V CA -0.597 61.768 62.300 0.109 0.000 0.847 183 V CB 0.902 32.762 31.823 0.062 0.000 0.990 183 V HN 0.675 nan 8.190 nan 0.000 0.444 184 I N 5.578 126.194 120.570 0.077 0.000 2.361 184 I HA 0.253 4.480 4.170 0.094 0.000 0.282 184 I C -0.091 176.050 176.117 0.040 0.000 1.075 184 I CA -0.560 60.773 61.300 0.055 0.000 1.205 184 I CB 1.464 39.493 38.000 0.049 0.000 1.406 184 I HN 0.284 nan 8.210 nan 0.000 0.481 185 V N 5.859 125.810 119.914 0.060 0.000 2.421 185 V HA 0.145 4.321 4.120 0.094 0.000 0.271 185 V C 0.906 177.023 176.094 0.038 0.000 1.031 185 V CA -0.123 62.219 62.300 0.072 0.000 1.032 185 V CB 0.789 32.699 31.823 0.144 0.000 1.009 185 V HN 0.786 nan 8.190 nan 0.000 0.477 186 A N 4.446 127.257 122.820 -0.015 0.000 2.280 186 A HA 0.468 4.845 4.320 0.094 0.000 0.320 186 A C -0.145 177.400 177.584 -0.065 0.000 1.366 186 A CA -0.498 51.492 52.037 -0.077 0.000 0.938 186 A CB 0.244 19.205 19.000 -0.065 0.000 1.157 186 A HN 0.755 nan 8.150 nan 0.000 0.536 187 D N 2.162 122.488 120.400 -0.124 0.000 2.347 187 D HA 0.253 4.949 4.640 0.094 0.000 0.235 187 D C -0.677 175.594 176.300 -0.049 0.000 1.149 187 D CA -0.055 53.919 54.000 -0.044 0.000 0.850 187 D CB 1.108 41.934 40.800 0.043 0.000 1.061 187 D HN 0.533 nan 8.370 nan 0.000 0.487 188 D N 2.433 122.835 120.400 0.004 0.000 2.500 188 D HA 0.386 5.082 4.640 0.094 0.000 0.219 188 D C 0.866 177.219 176.300 0.089 0.000 1.137 188 D CA -0.389 53.630 54.000 0.031 0.000 0.946 188 D CB -0.253 40.552 40.800 0.007 0.000 1.022 188 D HN 0.525 nan 8.370 nan 0.000 0.518 189 G N 2.893 111.729 108.800 0.060 0.000 2.393 189 G HA2 -0.285 3.731 3.960 0.094 0.000 0.299 189 G HA3 -0.285 3.731 3.960 0.094 0.000 0.299 189 G C 0.433 175.317 174.900 -0.026 0.000 0.990 189 G CA 0.469 45.607 45.100 0.062 0.000 1.118 189 G HN 0.505 nan 8.290 nan 0.000 0.513 190 S N -1.057 114.572 115.700 -0.118 0.000 2.593 190 S HA 0.353 4.880 4.470 0.094 0.000 0.269 190 S C 1.548 176.030 174.600 -0.197 0.000 1.334 190 S CA 0.295 58.306 58.200 -0.316 0.000 1.015 190 S CB 1.661 64.719 63.200 -0.236 0.000 0.912 190 S HN 0.626 nan 8.310 nan 0.000 0.541 191 K N 1.160 121.413 120.400 -0.244 0.000 2.172 191 K HA 0.125 4.502 4.320 0.094 0.000 0.203 191 K C 0.206 176.748 176.600 -0.097 0.000 1.040 191 K CA 0.341 56.556 56.287 -0.120 0.000 0.974 191 K CB -0.103 32.339 32.500 -0.097 0.000 0.857 191 K HN 0.652 nan 8.250 nan 0.000 0.464 192 E N 1.569 121.696 120.200 -0.121 0.000 2.461 192 E HA -0.104 4.302 4.350 0.094 0.000 0.263 192 E C -0.280 176.277 176.600 -0.072 0.000 1.143 192 E CA 0.038 56.388 56.400 -0.084 0.000 0.994 192 E CB 0.268 29.916 29.700 -0.087 0.000 0.973 192 E HN 0.199 nan 8.360 nan 0.000 0.457 193 N N 2.725 121.389 118.700 -0.059 0.000 2.469 193 N HA 0.016 4.813 4.740 0.094 0.000 0.239 193 N C 0.427 175.885 175.510 -0.086 0.000 1.053 193 N CA -0.189 52.823 53.050 -0.063 0.000 0.937 193 N CB 0.407 38.860 38.487 -0.057 0.000 1.163 193 N HN 0.391 nan 8.380 nan 0.000 0.509 194 I N 1.872 122.388 120.570 -0.091 0.000 2.406 194 I HA -0.127 4.099 4.170 0.094 0.000 0.249 194 I C 2.178 178.120 176.117 -0.292 0.000 1.122 194 I CA 0.756 61.984 61.300 -0.121 0.000 1.431 194 I CB -0.781 37.222 38.000 0.005 0.000 1.087 194 I HN 0.627 nan 8.210 nan 0.000 0.424 195 E N 1.434 121.354 120.200 -0.468 0.000 2.204 195 E HA -0.265 4.141 4.350 0.094 0.000 0.195 195 E C 1.930 178.344 176.600 -0.309 0.000 0.990 195 E CA 1.073 57.082 56.400 -0.651 0.000 0.821 195 E CB 0.169 29.526 29.700 -0.572 0.000 0.750 195 E HN 0.536 nan 8.360 nan 0.000 0.477 196 E N 0.069 120.153 120.200 -0.193 0.000 2.031 196 E HA -0.185 4.221 4.350 0.094 0.000 0.193 196 E C 2.160 178.702 176.600 -0.095 0.000 0.994 196 E CA 1.296 57.627 56.400 -0.116 0.000 0.800 196 E CB 0.030 29.679 29.700 -0.085 0.000 0.752 196 E HN 0.214 nan 8.360 nan 0.000 0.447 197 I N 0.804 121.317 120.570 -0.095 0.000 2.058 197 I HA -0.268 3.958 4.170 0.094 0.000 0.235 197 I C 2.547 178.703 176.117 0.065 0.000 1.053 197 I CA 0.955 62.234 61.300 -0.034 0.000 1.313 197 I CB -1.524 36.445 38.000 -0.052 0.000 1.039 197 I HN 0.109 nan 8.210 nan 0.000 0.396 198 V N 1.119 121.018 119.914 -0.025 0.000 2.277 198 V HA -0.352 3.824 4.120 0.094 0.000 0.253 198 V C 2.812 178.942 176.094 0.061 0.000 1.067 198 V CA 2.167 64.471 62.300 0.006 0.000 1.047 198 V CB -0.814 30.924 31.823 -0.140 0.000 0.649 198 V HN 0.398 nan 8.190 nan 0.000 0.447 199 R N -0.835 119.650 120.500 -0.024 0.000 2.105 199 R HA -0.180 4.216 4.340 0.094 0.000 0.239 199 R C 2.389 178.693 176.300 0.007 0.000 1.135 199 R CA 1.463 57.555 56.100 -0.013 0.000 0.967 199 R CB -0.335 29.936 30.300 -0.047 0.000 0.861 199 R HN 0.554 nan 8.270 nan 0.000 0.442 200 E N -0.190 120.004 120.200 -0.010 0.000 2.118 200 E HA -0.187 4.219 4.350 0.094 0.000 0.195 200 E C 1.600 178.105 176.600 -0.158 0.000 0.992 200 E CA 1.346 57.684 56.400 -0.104 0.000 0.804 200 E CB -0.059 29.523 29.700 -0.196 0.000 0.741 200 E HN 0.296 nan 8.360 nan 0.000 0.458 201 F N 0.820 120.756 119.950 -0.025 0.000 2.743 201 F HA 0.063 4.647 4.527 0.095 0.000 0.297 201 F C 2.147 177.948 175.800 0.002 0.000 1.131 201 F CA 0.194 58.196 58.000 0.003 0.000 1.426 201 F CB 0.006 39.001 39.000 -0.009 0.000 1.116 201 F HN -0.045 nan 8.300 nan 0.000 0.583 202 E N 0.176 120.461 120.200 0.142 0.000 2.253 202 E HA -0.254 4.153 4.350 0.094 0.000 0.202 202 E C 2.018 178.656 176.600 0.064 0.000 1.014 202 E CA 1.627 58.078 56.400 0.084 0.000 0.823 202 E CB -0.179 29.548 29.700 0.045 0.000 0.736 202 E HN 0.402 nan 8.360 nan 0.000 0.478 203 S N -0.931 114.801 115.700 0.053 0.000 2.593 203 S HA 0.091 4.618 4.470 0.094 0.000 0.217 203 S C 1.595 176.227 174.600 0.054 0.000 0.966 203 S CA 0.013 58.235 58.200 0.037 0.000 0.914 203 S CB 0.206 63.413 63.200 0.012 0.000 0.776 203 S HN 0.148 nan 8.310 nan 0.000 0.523 204 L N -0.557 120.724 121.223 0.097 0.000 2.600 204 L HA 0.491 4.888 4.340 0.094 0.000 0.213 204 L C 0.341 177.272 176.870 0.101 0.000 1.045 204 L CA 0.123 55.034 54.840 0.119 0.000 0.863 204 L CB -0.040 42.136 42.059 0.195 0.000 1.189 204 L HN 0.188 nan 8.230 nan 0.000 0.484 205 L N 0.019 121.307 121.223 0.109 0.000 2.332 205 L HA 0.358 4.755 4.340 0.094 0.000 0.269 205 L C -0.114 176.748 176.870 -0.012 0.000 1.016 205 L CA -0.651 54.199 54.840 0.018 0.000 0.809 205 L CB 0.876 42.954 42.059 0.032 0.000 1.280 205 L HN 0.021 nan 8.230 nan 0.000 0.447 206 N N 2.400 121.050 118.700 -0.084 0.000 3.298 206 N HA 0.262 5.058 4.740 0.094 0.000 0.292 206 N C -0.594 174.909 175.510 -0.012 0.000 1.271 206 N CA 0.059 53.084 53.050 -0.042 0.000 1.184 206 N CB 0.494 38.944 38.487 -0.062 0.000 1.452 206 N HN 0.473 nan 8.380 nan 0.000 0.534 207 I N 0.500 121.079 120.570 0.015 0.000 2.440 207 I HA 0.239 4.465 4.170 0.094 0.000 0.294 207 I C -0.260 175.888 176.117 0.051 0.000 0.995 207 I CA -0.404 60.916 61.300 0.035 0.000 1.306 207 I CB 0.858 38.884 38.000 0.043 0.000 1.407 207 I HN -0.063 nan 8.210 nan 0.000 0.501 208 K N 5.172 125.611 120.400 0.065 0.000 2.385 208 K HA 0.421 4.798 4.320 0.094 0.000 0.248 208 K C -1.862 174.824 176.600 0.144 0.000 0.955 208 K CA -0.490 55.846 56.287 0.083 0.000 0.816 208 K CB 1.746 34.274 32.500 0.047 0.000 1.250 208 K HN 0.442 nan 8.250 nan 0.000 0.434 209 Y N 2.625 122.923 120.300 -0.002 0.000 2.338 209 Y HA 0.529 5.138 4.550 0.098 0.000 0.333 209 Y C -1.371 174.527 175.900 -0.004 0.000 0.968 209 Y CA -1.027 57.069 58.100 -0.006 0.000 1.123 209 Y CB 1.207 39.663 38.460 -0.007 0.000 1.165 209 Y HN 0.304 nan 8.280 nan 0.000 0.452 210 V N 5.434 125.042 119.914 -0.509 0.000 2.555 210 V HA 0.768 4.944 4.120 0.094 0.000 0.302 210 V C -1.155 174.536 176.094 -0.672 0.000 1.038 210 V CA -0.816 61.208 62.300 -0.461 0.000 0.887 210 V CB 1.775 33.475 31.823 -0.205 0.000 0.991 210 V HN 0.913 nan 8.190 nan 0.000 0.434 211 R N 3.575 123.785 120.500 -0.483 0.000 2.686 211 R HA 0.648 5.045 4.340 0.094 0.000 0.283 211 R C -1.002 175.219 176.300 -0.132 0.000 0.978 211 R CA -0.529 55.370 56.100 -0.335 0.000 0.897 211 R CB 2.268 32.392 30.300 -0.293 0.000 1.192 211 R HN 1.031 nan 8.270 nan 0.000 0.457 212 Q N 2.686 122.450 119.800 -0.059 0.000 2.394 212 Q HA 0.376 4.773 4.340 0.094 0.000 0.273 212 Q C -1.183 174.857 176.000 0.068 0.000 1.089 212 Q CA -1.237 54.577 55.803 0.018 0.000 0.812 212 Q CB 2.391 31.172 28.738 0.071 0.000 1.353 212 Q HN 0.580 nan 8.270 nan 0.000 0.438 213 K N 0.434 120.886 120.400 0.086 0.000 2.230 213 K HA 0.086 4.462 4.320 0.094 0.000 0.253 213 K C -0.305 176.424 176.600 0.215 0.000 1.008 213 K CA -0.492 55.860 56.287 0.108 0.000 0.910 213 K CB 0.440 32.978 32.500 0.063 0.000 0.994 213 K HN 0.589 nan 8.250 nan 0.000 0.495 214 D N 1.655 122.160 120.400 0.176 0.000 2.336 214 D HA 0.001 4.698 4.640 0.094 0.000 0.249 214 D C -1.111 175.352 176.300 0.272 0.000 1.213 214 D CA -0.287 53.832 54.000 0.197 0.000 0.870 214 D CB 0.212 41.099 40.800 0.145 0.000 1.076 214 D HN 0.676 nan 8.370 nan 0.000 0.483 215 Y N 2.667 123.001 120.300 0.057 0.000 2.685 215 Y HA 0.525 5.130 4.550 0.092 0.000 0.284 215 Y C 0.290 176.225 175.900 0.058 0.000 0.944 215 Y CA -0.372 57.757 58.100 0.049 0.000 1.107 215 Y CB 0.366 38.846 38.460 0.035 0.000 1.188 215 Y HN 0.535 nan 8.280 nan 0.000 0.635 216 G N 0.951 109.728 108.800 -0.039 0.000 2.418 216 G HA2 -0.248 3.768 3.960 0.094 0.000 0.206 216 G HA3 -0.248 3.768 3.960 0.094 0.000 0.206 216 G C -1.663 173.162 174.900 -0.125 0.000 1.202 216 G CA -0.503 44.553 45.100 -0.073 0.000 1.061 216 G HN 0.611 nan 8.290 nan 0.000 0.563 217 Y N 2.474 122.645 120.300 -0.214 0.000 2.595 217 Y HA 0.644 5.252 4.550 0.097 0.000 0.336 217 Y C 0.723 176.508 175.900 -0.191 0.000 0.996 217 Y CA -0.405 57.568 58.100 -0.212 0.000 1.260 217 Y CB 0.855 39.226 38.460 -0.148 0.000 1.108 217 Y HN 0.315 nan 8.280 nan 0.000 0.509 218 Q N 6.617 126.118 119.800 -0.498 0.000 2.211 218 Q HA 0.095 4.491 4.340 0.094 0.000 0.301 218 Q C 1.607 177.402 176.000 -0.341 0.000 0.884 218 Q CA -0.073 55.492 55.803 -0.396 0.000 1.115 218 Q CB 0.663 29.107 28.738 -0.491 0.000 1.217 218 Q HN 0.950 nan 8.270 nan 0.000 0.451 219 L N -0.183 120.727 121.223 -0.522 0.000 2.021 219 L HA -0.322 4.075 4.340 0.094 0.000 0.215 219 L C 1.629 178.368 176.870 -0.218 0.000 1.074 219 L CA 1.669 56.287 54.840 -0.370 0.000 0.760 219 L CB -0.077 41.744 42.059 -0.397 0.000 0.889 219 L HN 0.373 nan 8.230 nan 0.000 0.433 220 C N -0.591 118.648 119.300 -0.102 0.000 2.413 220 C HA -0.175 4.341 4.460 0.094 0.000 0.276 220 C C 3.043 178.035 174.990 0.003 0.000 1.248 220 C CA 0.736 59.756 59.018 0.004 0.000 1.742 220 C CB -1.321 26.550 27.740 0.218 0.000 2.017 220 C HN 0.726 nan 8.230 nan 0.000 0.481 221 A N -0.452 122.367 122.820 -0.002 0.000 1.902 221 A HA -0.126 4.251 4.320 0.094 0.000 0.217 221 A C 2.371 179.945 177.584 -0.017 0.000 1.181 221 A CA 2.008 54.059 52.037 0.022 0.000 0.623 221 A CB -0.878 18.155 19.000 0.055 0.000 0.818 221 A HN 0.383 nan 8.150 nan 0.000 0.443 222 V N -0.334 119.537 119.914 -0.073 0.000 2.453 222 V HA -0.173 4.004 4.120 0.094 0.000 0.247 222 V C 2.521 178.560 176.094 -0.092 0.000 1.048 222 V CA 2.080 64.333 62.300 -0.079 0.000 1.049 222 V CB -0.630 31.132 31.823 -0.100 0.000 0.672 222 V HN 0.597 nan 8.190 nan 0.000 0.457 223 R N 0.179 120.582 120.500 -0.161 0.000 2.091 223 R HA -0.162 4.234 4.340 0.094 0.000 0.238 223 R C 2.165 178.432 176.300 -0.055 0.000 1.136 223 R CA 1.953 57.912 56.100 -0.234 0.000 0.959 223 R CB -0.384 29.527 30.300 -0.648 0.000 0.856 223 R HN 0.560 nan 8.270 nan 0.000 0.437 224 N N 0.649 119.365 118.700 0.027 0.000 2.166 224 N HA -0.163 4.633 4.740 0.094 0.000 0.186 224 N C 1.811 177.363 175.510 0.070 0.000 1.019 224 N CA 0.876 54.023 53.050 0.160 0.000 0.856 224 N CB -0.139 38.390 38.487 0.071 0.000 0.993 224 N HN 0.234 nan 8.380 nan 0.000 0.426 225 L N 0.686 121.911 121.223 0.003 0.000 1.994 225 L HA -0.131 4.266 4.340 0.094 0.000 0.208 225 L C 2.339 179.221 176.870 0.020 0.000 1.071 225 L CA 1.654 56.483 54.840 -0.018 0.000 0.745 225 L CB -0.931 41.102 42.059 -0.044 0.000 0.892 225 L HN 0.193 nan 8.230 nan 0.000 0.431 226 G N -0.139 108.673 108.800 0.021 0.000 2.459 226 G HA2 -0.275 3.742 3.960 0.094 0.000 0.217 226 G HA3 -0.275 3.742 3.960 0.094 0.000 0.217 226 G C 1.550 176.516 174.900 0.109 0.000 1.183 226 G CA 0.790 45.913 45.100 0.039 0.000 0.776 226 G HN 0.319 nan 8.290 nan 0.000 0.552 227 L N -0.272 121.059 121.223 0.180 0.000 2.129 227 L HA -0.096 4.301 4.340 0.094 0.000 0.212 227 L C 3.147 180.263 176.870 0.410 0.000 1.087 227 L CA 0.994 56.013 54.840 0.297 0.000 0.757 227 L CB -0.306 42.008 42.059 0.426 0.000 0.896 227 L HN 0.170 nan 8.230 nan 0.000 0.434 228 R N -0.330 120.376 120.500 0.344 0.000 2.062 228 R HA -0.064 4.332 4.340 0.094 0.000 0.229 228 R C 2.407 178.807 176.300 0.167 0.000 1.128 228 R CA 1.268 57.513 56.100 0.241 0.000 0.960 228 R CB -0.347 29.957 30.300 0.006 0.000 0.855 228 R HN 0.335 nan 8.270 nan 0.000 0.432 229 A N 1.365 124.245 122.820 0.099 0.000 2.015 229 A HA 0.096 4.472 4.320 0.094 0.000 0.219 229 A C 1.112 178.729 177.584 0.055 0.000 1.163 229 A CA 0.781 52.851 52.037 0.055 0.000 0.646 229 A CB -0.306 18.706 19.000 0.020 0.000 0.806 229 A HN 0.360 nan 8.150 nan 0.000 0.448 230 A N 0.542 123.416 122.820 0.090 0.000 2.566 230 A HA 0.266 4.643 4.320 0.094 0.000 0.245 230 A C 1.154 178.759 177.584 0.035 0.000 1.056 230 A CA 0.682 52.762 52.037 0.072 0.000 0.757 230 A CB -0.026 19.047 19.000 0.121 0.000 0.979 230 A HN 0.648 nan 8.150 nan 0.000 0.508 231 K N 1.965 122.304 120.400 -0.101 0.000 2.356 231 K HA 0.122 4.498 4.320 0.094 0.000 0.195 231 K C -0.261 176.245 176.600 -0.158 0.000 1.037 231 K CA 0.129 56.313 56.287 -0.172 0.000 1.014 231 K CB -0.005 32.312 32.500 -0.306 0.000 0.815 231 K HN 0.577 nan 8.250 nan 0.000 0.507 232 Y N 1.792 122.121 120.300 0.049 0.000 2.314 232 Y HA 0.159 4.769 4.550 0.101 0.000 0.359 232 Y C 1.331 177.201 175.900 -0.049 0.000 1.360 232 Y CA -0.952 57.159 58.100 0.018 0.000 1.697 232 Y CB 0.190 38.687 38.460 0.061 0.000 1.630 232 Y HN -0.037 nan 8.280 nan 0.000 0.583 233 N N -0.786 117.922 118.700 0.013 0.000 2.236 233 N HA 0.029 4.826 4.740 0.094 0.000 0.196 233 N C -1.379 173.789 175.510 -0.569 0.000 1.114 233 N CA 0.401 53.258 53.050 -0.321 0.000 0.859 233 N CB 0.473 38.638 38.487 -0.537 0.000 0.982 233 N HN 0.398 nan 8.380 nan 0.000 0.493 234 Y N 0.616 120.974 120.300 0.097 0.000 2.329 234 Y HA 0.381 4.996 4.550 0.108 0.000 0.328 234 Y C 0.251 176.137 175.900 -0.024 0.000 0.992 234 Y CA -1.491 56.612 58.100 0.005 0.000 1.151 234 Y CB 1.269 39.683 38.460 -0.076 0.000 1.150 234 Y HN -0.266 nan 8.280 nan 0.000 0.450 235 V N -0.026 119.882 119.914 -0.009 0.000 2.975 235 V HA 1.074 5.250 4.120 0.094 0.000 0.318 235 V C -0.325 175.555 176.094 -0.357 0.000 1.077 235 V CA -1.050 61.164 62.300 -0.143 0.000 1.000 235 V CB 1.666 33.362 31.823 -0.211 0.000 1.066 235 V HN 0.902 nan 8.190 nan 0.000 0.452 236 A N 2.459 125.115 122.820 -0.272 0.000 2.572 236 A HA 0.908 5.285 4.320 0.094 0.000 0.295 236 A C -1.145 176.387 177.584 -0.087 0.000 1.072 236 A CA -0.696 51.153 52.037 -0.315 0.000 0.691 236 A CB 1.597 20.413 19.000 -0.306 0.000 1.291 236 A HN 0.923 nan 8.150 nan 0.000 0.404 237 I N 0.952 121.514 120.570 -0.014 0.000 2.608 237 I HA 0.602 4.828 4.170 0.094 0.000 0.295 237 I C -1.425 174.798 176.117 0.177 0.000 1.049 237 I CA -0.842 60.500 61.300 0.070 0.000 1.063 237 I CB 2.091 40.116 38.000 0.042 0.000 1.248 237 I HN 0.507 nan 8.210 nan 0.000 0.424 238 L N 5.027 126.322 121.223 0.120 0.000 2.516 238 L HA 0.479 4.875 4.340 0.094 0.000 0.267 238 L C -0.914 175.957 176.870 0.003 0.000 0.957 238 L CA -0.278 54.609 54.840 0.079 0.000 0.860 238 L CB 1.623 43.678 42.059 -0.008 0.000 1.265 238 L HN 0.402 nan 8.230 nan 0.000 0.403 239 D N 1.899 122.304 120.400 0.008 0.000 2.400 239 D HA 0.039 4.736 4.640 0.094 0.000 0.238 239 D C 1.307 177.571 176.300 -0.060 0.000 1.157 239 D CA 0.235 54.229 54.000 -0.010 0.000 0.889 239 D CB 1.051 41.866 40.800 0.025 0.000 1.199 239 D HN 0.827 nan 8.370 nan 0.000 0.436 240 C N 0.140 119.404 119.300 -0.060 0.000 2.430 240 C HA -0.063 4.454 4.460 0.094 0.000 0.288 240 C C 1.166 176.084 174.990 -0.120 0.000 1.448 240 C CA 0.205 59.170 59.018 -0.087 0.000 1.784 240 C CB -0.647 27.059 27.740 -0.057 0.000 1.776 240 C HN 0.590 nan 8.230 nan 0.000 0.547 241 D N -0.843 119.474 120.400 -0.138 0.000 2.363 241 D HA 0.089 4.786 4.640 0.094 0.000 0.214 241 D C 0.529 176.692 176.300 -0.227 0.000 1.093 241 D CA 0.049 53.926 54.000 -0.204 0.000 0.837 241 D CB -0.268 40.353 40.800 -0.297 0.000 0.948 241 D HN 0.362 nan 8.370 nan 0.000 0.507 242 M N 1.823 121.320 119.600 -0.173 0.000 2.289 242 M HA 0.404 4.941 4.480 0.094 0.000 0.354 242 M C -0.329 175.839 176.300 -0.221 0.000 1.210 242 M CA -0.870 54.343 55.300 -0.146 0.000 1.174 242 M CB 0.694 33.242 32.600 -0.088 0.000 1.297 242 M HN -0.013 nan 8.290 nan 0.000 0.423 243 A N 7.123 129.834 122.820 -0.182 0.000 2.395 243 A HA 0.530 4.907 4.320 0.094 0.000 0.286 243 A C -2.076 175.385 177.584 -0.204 0.000 1.193 243 A CA -0.979 50.912 52.037 -0.243 0.000 0.852 243 A CB -0.548 18.280 19.000 -0.287 0.000 1.118 243 A HN 0.416 nan 8.150 nan 0.000 0.524 244 P HA 0.078 nan 4.420 nan 0.000 0.274 244 P C -0.591 176.632 177.300 -0.129 0.000 1.246 244 P CA -0.448 62.350 63.100 -0.504 0.000 0.795 244 P CB 0.760 31.756 31.700 -1.174 0.000 1.006 245 N N 0.906 119.633 118.700 0.045 0.000 2.476 245 N HA 0.169 4.965 4.740 0.094 0.000 0.275 245 N C -2.133 173.428 175.510 0.085 0.000 1.190 245 N CA -1.855 51.270 53.050 0.124 0.000 0.977 245 N CB 0.361 38.985 38.487 0.228 0.000 1.200 245 N HN 0.075 nan 8.380 nan 0.000 0.515 246 P HA -0.108 nan 4.420 nan 0.000 0.217 246 P C 0.961 178.299 177.300 0.063 0.000 1.148 246 P CA 1.319 64.452 63.100 0.056 0.000 0.834 246 P CB 0.185 31.913 31.700 0.046 0.000 0.783 247 L N -3.906 117.358 121.223 0.069 0.000 2.653 247 L HA 0.117 4.514 4.340 0.094 0.000 0.231 247 L C 1.844 178.736 176.870 0.037 0.000 1.153 247 L CA -0.318 54.544 54.840 0.038 0.000 0.933 247 L CB -0.436 41.628 42.059 0.008 0.000 1.175 247 L HN 0.046 nan 8.230 nan 0.000 0.473 248 W N 0.782 122.001 121.300 -0.135 0.000 2.304 248 W HA -0.255 4.461 4.660 0.092 0.000 0.328 248 W C 2.217 178.628 176.519 -0.181 0.000 1.242 248 W CA 2.194 59.425 57.345 -0.190 0.000 1.243 248 W CB -0.453 28.940 29.460 -0.112 0.000 1.170 248 W HN -0.140 nan 8.180 nan 0.000 0.460 249 V N 0.525 120.484 119.914 0.075 0.000 2.231 249 V HA -0.402 3.775 4.120 0.094 0.000 0.248 249 V C 2.326 178.320 176.094 -0.167 0.000 1.054 249 V CA 2.538 64.761 62.300 -0.129 0.000 1.015 249 V CB -1.491 30.183 31.823 -0.249 0.000 0.638 249 V HN 0.317 nan 8.190 nan 0.000 0.444 250 Q N 0.725 120.478 119.800 -0.078 0.000 2.029 250 Q HA -0.231 4.165 4.340 0.094 0.000 0.209 250 Q C 2.311 178.237 176.000 -0.123 0.000 0.999 250 Q CA 2.753 58.546 55.803 -0.016 0.000 0.857 250 Q CB -0.864 27.886 28.738 0.020 0.000 0.926 250 Q HN 0.633 nan 8.270 nan 0.000 0.415 251 S N -0.649 114.940 115.700 -0.184 0.000 2.365 251 S HA -0.190 4.337 4.470 0.094 0.000 0.225 251 S C 1.725 176.142 174.600 -0.305 0.000 1.039 251 S CA 1.526 59.570 58.200 -0.259 0.000 1.033 251 S CB -0.637 62.354 63.200 -0.348 0.000 0.887 251 S HN 0.440 nan 8.310 nan 0.000 0.447 252 Y N 1.216 121.275 120.300 -0.401 0.000 2.109 252 Y HA -0.006 4.603 4.550 0.099 0.000 0.285 252 Y C 2.659 178.281 175.900 -0.463 0.000 1.131 252 Y CA 0.637 58.463 58.100 -0.457 0.000 1.121 252 Y CB -0.758 37.335 38.460 -0.612 0.000 0.987 252 Y HN 0.151 nan 8.280 nan 0.000 0.495 253 M N 0.371 119.743 119.600 -0.380 0.000 2.106 253 M HA -0.245 4.292 4.480 0.094 0.000 0.259 253 M C 2.144 178.021 176.300 -0.706 0.000 1.068 253 M CA 1.993 56.849 55.300 -0.739 0.000 1.100 253 M CB -1.411 30.461 32.600 -1.214 0.000 1.351 253 M HN 0.517 nan 8.290 nan 0.000 0.404 254 E N -0.023 119.926 120.200 -0.418 0.000 2.209 254 E HA -0.194 4.212 4.350 0.094 0.000 0.196 254 E C 1.963 178.459 176.600 -0.173 0.000 0.993 254 E CA 1.199 57.493 56.400 -0.177 0.000 0.819 254 E CB -0.452 29.220 29.700 -0.047 0.000 0.745 254 E HN 0.503 nan 8.360 nan 0.000 0.477 255 L N 0.296 121.396 121.223 -0.205 0.000 2.202 255 L HA 0.036 4.432 4.340 0.094 0.000 0.205 255 L C 2.534 179.283 176.870 -0.202 0.000 1.083 255 L CA 0.277 55.015 54.840 -0.170 0.000 0.790 255 L CB -0.125 41.841 42.059 -0.155 0.000 0.942 255 L HN 0.141 nan 8.230 nan 0.000 0.452 256 L N -0.135 120.909 121.223 -0.299 0.000 2.362 256 L HA -0.091 4.306 4.340 0.094 0.000 0.219 256 L C 2.587 179.199 176.870 -0.430 0.000 1.134 256 L CA 0.629 55.243 54.840 -0.377 0.000 0.807 256 L CB -0.515 41.184 42.059 -0.599 0.000 0.927 256 L HN 0.215 nan 8.230 nan 0.000 0.447 257 A N -0.314 122.290 122.820 -0.361 0.000 2.072 257 A HA -0.031 4.345 4.320 0.094 0.000 0.216 257 A C 2.219 179.744 177.584 -0.099 0.000 1.156 257 A CA 1.198 53.099 52.037 -0.226 0.000 0.701 257 A CB -0.301 18.618 19.000 -0.135 0.000 0.816 257 A HN 0.276 nan 8.150 nan 0.000 0.458 258 V N -2.888 116.967 119.914 -0.097 0.000 2.575 258 V HA 0.200 4.377 4.120 0.094 0.000 0.242 258 V C 0.245 176.310 176.094 -0.048 0.000 1.045 258 V CA 1.255 63.520 62.300 -0.058 0.000 1.065 258 V CB -0.035 31.756 31.823 -0.053 0.000 0.717 258 V HN 0.289 nan 8.190 nan 0.000 0.467 259 D N 0.759 121.126 120.400 -0.055 0.000 2.686 259 D HA 0.247 4.943 4.640 0.094 0.000 0.249 259 D C -0.191 176.119 176.300 0.015 0.000 1.260 259 D CA 0.001 53.985 54.000 -0.025 0.000 0.910 259 D CB 1.774 42.549 40.800 -0.042 0.000 1.323 259 D HN 0.484 nan 8.370 nan 0.000 0.561 260 D N 2.120 122.568 120.400 0.079 0.000 2.339 260 D HA -0.030 4.667 4.640 0.094 0.000 0.217 260 D C -0.278 176.208 176.300 0.309 0.000 1.050 260 D CA -0.103 54.007 54.000 0.184 0.000 0.856 260 D CB 0.162 41.092 40.800 0.218 0.000 0.922 260 D HN 0.136 nan 8.370 nan 0.000 0.518 261 N N 0.731 119.608 118.700 0.294 0.000 2.327 261 N HA 0.082 4.878 4.740 0.094 0.000 0.231 261 N C -0.486 175.246 175.510 0.370 0.000 1.130 261 N CA -0.030 53.356 53.050 0.560 0.000 0.845 261 N CB 1.914 40.678 38.487 0.461 0.000 1.073 261 N HN 0.127 nan 8.380 nan 0.000 0.496 262 V N 0.192 120.225 119.914 0.199 0.000 2.569 262 V HA 0.675 4.851 4.120 0.094 0.000 0.301 262 V C -1.082 174.971 176.094 -0.068 0.000 1.044 262 V CA -0.927 61.374 62.300 0.001 0.000 0.874 262 V CB 1.513 33.292 31.823 -0.073 0.000 1.002 262 V HN 0.138 nan 8.190 nan 0.000 0.424 263 A N 8.071 130.745 122.820 -0.242 0.000 2.527 263 A HA 0.628 5.005 4.320 0.094 0.000 0.313 263 A C -0.051 177.520 177.584 -0.020 0.000 1.410 263 A CA -0.431 51.538 52.037 -0.113 0.000 1.060 263 A CB -0.337 18.492 19.000 -0.284 0.000 1.137 263 A HN 0.958 nan 8.150 nan 0.000 0.542 264 L N 3.003 124.214 121.223 -0.020 0.000 2.455 264 L HA 0.205 4.602 4.340 0.094 0.000 0.272 264 L C -0.173 176.744 176.870 0.078 0.000 1.174 264 L CA 0.478 55.324 54.840 0.010 0.000 0.869 264 L CB 0.169 42.283 42.059 0.091 0.000 1.130 264 L HN 0.519 nan 8.230 nan 0.000 0.474 265 I N 2.655 123.265 120.570 0.067 0.000 2.382 265 I HA 0.352 4.578 4.170 0.094 0.000 0.286 265 I C 0.690 176.803 176.117 -0.008 0.000 1.002 265 I CA -0.277 61.056 61.300 0.054 0.000 1.135 265 I CB 1.711 39.767 38.000 0.094 0.000 1.288 265 I HN 0.633 nan 8.210 nan 0.000 0.448 266 G N 7.235 116.103 108.800 0.114 0.000 2.425 266 G HA2 0.614 4.631 3.960 0.094 0.000 0.302 266 G HA3 0.614 4.631 3.960 0.094 0.000 0.302 266 G C -2.650 172.274 174.900 0.039 0.000 1.159 266 G CA -1.068 44.027 45.100 -0.008 0.000 0.865 266 G HN 0.292 nan 8.290 nan 0.000 0.515 267 P HA 0.460 nan 4.420 nan 0.000 0.293 267 P C -0.812 176.470 177.300 -0.030 0.000 1.304 267 P CA -0.565 62.578 63.100 0.073 0.000 0.767 267 P CB 1.351 33.091 31.700 0.066 0.000 1.247 268 R N -1.823 118.622 120.500 -0.093 0.000 2.710 268 R HA 0.706 5.102 4.340 0.094 0.000 0.270 268 R C -1.098 175.004 176.300 -0.330 0.000 1.021 268 R CA -1.089 54.865 56.100 -0.244 0.000 0.889 268 R CB 1.627 31.789 30.300 -0.229 0.000 1.243 268 R HN 0.222 nan 8.270 nan 0.000 0.464 269 K N 0.872 120.996 120.400 -0.459 0.000 2.395 269 K HA 0.398 4.775 4.320 0.094 0.000 0.247 269 K C -1.517 174.885 176.600 -0.329 0.000 0.973 269 K CA -0.919 55.179 56.287 -0.314 0.000 0.828 269 K CB 2.084 34.439 32.500 -0.242 0.000 1.272 269 K HN 0.426 nan 8.250 nan 0.000 0.439 270 Y N 2.119 122.480 120.300 0.102 0.000 2.331 270 Y HA 0.424 5.031 4.550 0.094 0.000 0.338 270 Y C 0.147 176.159 175.900 0.187 0.000 0.976 270 Y CA -0.863 57.331 58.100 0.157 0.000 1.137 270 Y CB 0.807 39.328 38.460 0.102 0.000 1.172 270 Y HN 0.369 nan 8.280 nan 0.000 0.478 271 I N -0.399 120.373 120.570 0.337 0.000 2.647 271 I HA 0.535 4.761 4.170 0.094 0.000 0.295 271 I C -1.079 175.176 176.117 0.230 0.000 1.078 271 I CA -1.331 60.127 61.300 0.264 0.000 1.048 271 I CB 2.436 40.580 38.000 0.240 0.000 1.239 271 I HN 0.404 nan 8.210 nan 0.000 0.421 272 D N 2.760 123.280 120.400 0.199 0.000 2.558 272 D HA 0.046 4.743 4.640 0.094 0.000 0.221 272 D C 0.829 177.251 176.300 0.204 0.000 1.143 272 D CA -0.375 53.732 54.000 0.178 0.000 1.010 272 D CB 0.758 41.646 40.800 0.146 0.000 1.068 272 D HN 0.625 nan 8.370 nan 0.000 0.511 273 T N 0.135 114.814 114.554 0.209 0.000 3.228 273 T HA -0.122 4.285 4.350 0.094 0.000 0.261 273 T C 1.820 176.696 174.700 0.293 0.000 1.171 273 T CA 1.031 63.305 62.100 0.289 0.000 1.056 273 T CB -0.226 68.764 68.868 0.204 0.000 0.938 273 T HN 0.482 nan 8.240 nan 0.000 0.539 274 S N 1.542 117.354 115.700 0.187 0.000 2.374 274 S HA -0.156 4.371 4.470 0.094 0.000 0.227 274 S C 1.643 176.274 174.600 0.051 0.000 1.037 274 S CA 1.026 59.295 58.200 0.115 0.000 1.024 274 S CB -0.375 62.873 63.200 0.079 0.000 0.861 274 S HN 0.587 nan 8.310 nan 0.000 0.456 275 K N 1.395 121.769 120.400 -0.043 0.000 2.569 275 K HA 0.147 4.524 4.320 0.094 0.000 0.193 275 K C 0.041 176.292 176.600 -0.582 0.000 1.026 275 K CA 0.280 56.387 56.287 -0.300 0.000 1.093 275 K CB -0.109 32.155 32.500 -0.393 0.000 0.849 275 K HN 0.631 nan 8.250 nan 0.000 0.509 276 H N -0.784 118.324 119.070 0.063 0.000 2.894 276 H HA 0.210 4.823 4.556 0.094 0.000 0.368 276 H C 0.033 175.428 175.328 0.112 0.000 1.181 276 H CA -0.678 55.393 56.048 0.038 0.000 1.146 276 H CB 2.039 31.789 29.762 -0.021 0.000 1.839 276 H HN 0.013 nan 8.280 nan 0.000 0.557 277 T N -2.048 112.630 114.554 0.208 0.000 2.949 277 T HA 0.179 4.586 4.350 0.094 0.000 0.287 277 T C 1.175 176.067 174.700 0.319 0.000 1.034 277 T CA -0.786 61.454 62.100 0.234 0.000 1.018 277 T CB 0.836 69.772 68.868 0.114 0.000 1.135 277 T HN 0.685 nan 8.240 nan 0.000 0.532 278 Y N 0.721 121.169 120.300 0.246 0.000 2.483 278 Y HA 0.092 4.699 4.550 0.095 0.000 0.291 278 Y C 1.682 177.735 175.900 0.255 0.000 1.143 278 Y CA 0.678 58.979 58.100 0.336 0.000 1.289 278 Y CB -0.963 37.679 38.460 0.303 0.000 0.983 278 Y HN 0.449 nan 8.280 nan 0.000 0.556 279 L N 0.627 121.598 121.223 -0.420 0.000 2.093 279 L HA -0.162 4.234 4.340 0.094 0.000 0.208 279 L C 1.978 178.731 176.870 -0.196 0.000 1.085 279 L CA 1.327 55.908 54.840 -0.433 0.000 0.755 279 L CB -0.594 41.199 42.059 -0.444 0.000 0.904 279 L HN 0.175 nan 8.230 nan 0.000 0.435 280 D N 0.024 120.303 120.400 -0.202 0.000 2.149 280 D HA -0.184 4.513 4.640 0.094 0.000 0.198 280 D C 2.068 178.125 176.300 -0.404 0.000 0.990 280 D CA 1.527 55.330 54.000 -0.328 0.000 0.839 280 D CB -0.167 40.356 40.800 -0.461 0.000 0.948 280 D HN 0.263 nan 8.370 nan 0.000 0.460 281 F N 0.460 120.391 119.950 -0.030 0.000 2.187 281 F HA 0.081 4.665 4.527 0.095 0.000 0.295 281 F C 2.421 178.223 175.800 0.003 0.000 1.091 281 F CA 0.324 58.311 58.000 -0.022 0.000 1.308 281 F CB -0.665 38.339 39.000 0.008 0.000 1.030 281 F HN -0.120 nan 8.300 nan 0.000 0.487 282 L N -0.141 121.192 121.223 0.183 0.000 2.191 282 L HA -0.209 4.188 4.340 0.094 0.000 0.212 282 L C 2.578 179.474 176.870 0.043 0.000 1.103 282 L CA 1.422 56.336 54.840 0.123 0.000 0.769 282 L CB -0.879 41.236 42.059 0.094 0.000 0.908 282 L HN 0.289 nan 8.230 nan 0.000 0.438 283 S N -0.239 115.452 115.700 -0.014 0.000 2.325 283 S HA -0.153 4.374 4.470 0.094 0.000 0.214 283 S C 1.162 175.741 174.600 -0.036 0.000 1.031 283 S CA 0.213 58.387 58.200 -0.042 0.000 0.972 283 S CB -0.373 62.777 63.200 -0.084 0.000 0.908 283 S HN 0.420 nan 8.310 nan 0.000 0.453 284 Q N 1.710 121.469 119.800 -0.069 0.000 2.681 284 Q HA 0.292 4.689 4.340 0.094 0.000 0.222 284 Q C -0.258 175.736 176.000 -0.009 0.000 1.258 284 Q CA -0.214 55.551 55.803 -0.062 0.000 1.014 284 Q CB 0.467 29.128 28.738 -0.128 0.000 1.384 284 Q HN 0.485 nan 8.270 nan 0.000 0.570 285 K N 0.375 120.788 120.400 0.021 0.000 2.720 285 K HA -0.080 4.296 4.320 0.094 0.000 0.206 285 K C 1.011 177.635 176.600 0.040 0.000 1.000 285 K CA 0.362 56.680 56.287 0.051 0.000 1.067 285 K CB 0.102 32.630 32.500 0.047 0.000 0.861 285 K HN 0.249 nan 8.250 nan 0.000 0.492 286 S N -0.330 115.385 115.700 0.024 0.000 2.615 286 S HA 0.016 4.542 4.470 0.094 0.000 0.277 286 S C 1.039 175.631 174.600 -0.014 0.000 1.068 286 S CA -0.335 57.869 58.200 0.007 0.000 1.315 286 S CB 0.042 63.242 63.200 0.001 0.000 1.193 286 S HN 0.294 nan 8.310 nan 0.000 0.656 287 L N 2.085 123.296 121.223 -0.020 0.000 2.137 287 L HA 0.029 4.425 4.340 0.094 0.000 0.213 287 L C 1.738 178.601 176.870 -0.012 0.000 1.085 287 L CA 1.904 56.694 54.840 -0.082 0.000 0.760 287 L CB -0.578 41.312 42.059 -0.281 0.000 0.893 287 L HN 0.528 nan 8.230 nan 0.000 0.434 288 I N -0.182 120.429 120.570 0.069 0.000 2.493 288 I HA -0.241 3.986 4.170 0.094 0.000 0.254 288 I C 1.829 177.624 176.117 -0.536 0.000 1.160 288 I CA 1.524 62.712 61.300 -0.186 0.000 1.445 288 I CB -0.560 37.238 38.000 -0.337 0.000 1.086 288 I HN 0.444 nan 8.210 nan 0.000 0.433 289 N N -0.408 118.131 118.700 -0.269 0.000 2.353 289 N HA -0.004 4.792 4.740 0.094 0.000 0.185 289 N C 1.250 176.735 175.510 -0.043 0.000 1.098 289 N CA 0.320 53.285 53.050 -0.141 0.000 0.872 289 N CB 0.199 38.689 38.487 0.005 0.000 0.970 289 N HN 0.444 nan 8.380 nan 0.000 0.467 290 E N 0.427 120.589 120.200 -0.064 0.000 2.340 290 E HA 0.136 4.543 4.350 0.094 0.000 0.198 290 E C -0.000 176.596 176.600 -0.007 0.000 0.961 290 E CA -0.006 56.381 56.400 -0.021 0.000 0.905 290 E CB 0.653 30.333 29.700 -0.034 0.000 0.884 290 E HN 0.273 nan 8.360 nan 0.000 0.491 291 I N 5.013 125.564 120.570 -0.032 0.000 2.668 291 I HA -0.001 4.225 4.170 0.094 0.000 0.285 291 I C -1.893 174.270 176.117 0.078 0.000 1.168 291 I CA -1.539 59.773 61.300 0.020 0.000 1.424 291 I CB -0.026 37.986 38.000 0.021 0.000 1.377 291 I HN -0.102 nan 8.210 nan 0.000 0.560 292 P HA 0.004 nan 4.420 nan 0.000 0.265 292 P C -0.629 176.756 177.300 0.142 0.000 1.193 292 P CA 0.001 63.167 63.100 0.110 0.000 0.765 292 P CB 0.472 32.228 31.700 0.094 0.000 0.823 293 E N 2.117 122.407 120.200 0.151 0.000 2.376 293 E HA 0.106 4.513 4.350 0.094 0.000 0.266 293 E C 0.787 177.481 176.600 0.156 0.000 1.009 293 E CA -0.415 56.093 56.400 0.179 0.000 0.902 293 E CB 0.249 30.050 29.700 0.169 0.000 0.972 293 E HN 0.472 nan 8.360 nan 0.000 0.439 294 I N 0.519 121.195 120.570 0.177 0.000 3.246 294 I HA 0.135 4.361 4.170 0.094 0.000 0.280 294 I C -0.259 175.916 176.117 0.097 0.000 1.239 294 I CA -0.007 61.373 61.300 0.133 0.000 1.336 294 I CB 0.451 38.533 38.000 0.136 0.000 1.383 294 I HN 0.381 nan 8.210 nan 0.000 0.617 295 I N 2.302 122.912 120.570 0.068 0.000 2.603 295 I HA 0.331 4.557 4.170 0.094 0.000 0.300 295 I C -0.051 176.081 176.117 0.025 0.000 1.017 295 I CA -0.567 60.761 61.300 0.047 0.000 1.098 295 I CB 2.038 40.065 38.000 0.044 0.000 1.279 295 I HN 0.669 nan 8.210 nan 0.000 0.437 296 T N 3.846 118.407 114.554 0.012 0.000 2.792 296 T HA 0.321 4.728 4.350 0.094 0.000 0.280 296 T C -0.396 174.304 174.700 -0.001 0.000 0.990 296 T CA -0.766 61.330 62.100 -0.006 0.000 0.960 296 T CB 0.435 69.285 68.868 -0.030 0.000 0.939 296 T HN 0.455 nan 8.240 nan 0.000 0.439 297 N N 5.357 124.056 118.700 -0.002 0.000 2.663 297 N HA 0.176 4.973 4.740 0.094 0.000 0.250 297 N C -0.572 174.935 175.510 -0.004 0.000 1.129 297 N CA -0.201 52.850 53.050 0.001 0.000 0.995 297 N CB 0.241 38.730 38.487 0.003 0.000 1.324 297 N HN 0.538 nan 8.380 nan 0.000 0.512 298 N N 0.872 119.570 118.700 -0.004 0.000 2.524 298 N HA 0.127 4.924 4.740 0.094 0.000 0.283 298 N C -0.267 175.241 175.510 -0.003 0.000 1.142 298 N CA -0.056 52.990 53.050 -0.007 0.000 0.984 298 N CB 0.969 39.453 38.487 -0.005 0.000 1.155 298 N HN 0.211 nan 8.380 nan 0.000 0.467 299 Q N 1.401 121.198 119.800 -0.005 0.000 2.400 299 Q HA 0.313 4.709 4.340 0.094 0.000 0.255 299 Q C -1.121 174.877 176.000 -0.003 0.000 1.008 299 Q CA -0.444 55.357 55.803 -0.003 0.000 0.841 299 Q CB 1.284 30.020 28.738 -0.004 0.000 1.220 299 Q HN 0.311 nan 8.270 nan 0.000 0.474 300 V N 2.218 122.131 119.914 -0.001 0.000 2.294 300 V HA 0.295 4.471 4.120 0.094 0.000 0.272 300 V C 0.283 176.377 176.094 -0.000 0.000 1.027 300 V CA -0.426 61.874 62.300 -0.001 0.000 0.823 300 V CB 0.750 32.574 31.823 0.002 0.000 1.030 300 V HN 0.884 nan 8.190 nan 0.000 0.457 301 A N 4.653 127.472 122.820 -0.002 0.000 1.978 301 A HA 0.062 4.438 4.320 0.094 0.000 0.260 301 A C 1.792 179.375 177.584 -0.001 0.000 1.340 301 A CA 1.291 53.327 52.037 -0.002 0.000 0.740 301 A CB -1.388 17.611 19.000 -0.001 0.000 1.189 301 A HN 2.443 nan 8.150 nan 0.000 0.299 302 G N 0.439 109.239 108.800 -0.001 0.000 2.609 302 G HA2 -0.317 3.699 3.960 0.094 0.000 0.235 302 G HA3 -0.317 3.699 3.960 0.094 0.000 0.235 302 G C 0.353 175.253 174.900 0.001 0.000 1.177 302 G CA 1.198 46.298 45.100 -0.000 0.000 0.707 302 G HN 1.306 nan 8.290 nan 0.000 0.513 303 K N 0.949 121.350 120.400 0.001 0.000 2.164 303 K HA 0.645 5.022 4.320 0.094 0.000 0.258 303 K C 0.447 177.048 176.600 0.003 0.000 0.951 303 K CA -0.650 55.639 56.287 0.002 0.000 0.844 303 K CB 2.058 34.560 32.500 0.003 0.000 1.099 303 K HN 0.363 nan 8.250 nan 0.000 0.435 304 V N 1.593 121.509 119.914 0.003 0.000 2.655 304 V HA 0.097 4.274 4.120 0.094 0.000 0.300 304 V C 0.469 176.566 176.094 0.005 0.000 1.044 304 V CA -0.008 62.294 62.300 0.004 0.000 1.095 304 V CB 0.122 31.948 31.823 0.004 0.000 0.952 304 V HN 0.622 nan 8.190 nan 0.000 0.485 305 E N 3.429 123.632 120.200 0.005 0.000 2.325 305 E HA 0.242 4.648 4.350 0.094 0.000 0.248 305 E C -0.738 175.867 176.600 0.008 0.000 0.912 305 E CA -0.577 55.827 56.400 0.007 0.000 0.782 305 E CB 1.415 31.119 29.700 0.007 0.000 1.264 305 E HN 0.823 nan 8.360 nan 0.000 0.417 306 Q N 3.671 123.478 119.800 0.011 0.000 2.235 306 Q HA 0.395 4.791 4.340 0.094 0.000 0.250 306 Q C -0.853 175.158 176.000 0.017 0.000 0.909 306 Q CA -0.235 55.575 55.803 0.012 0.000 0.910 306 Q CB 1.691 30.437 28.738 0.014 0.000 1.223 306 Q HN 0.382 nan 8.270 nan 0.000 0.432 307 N N 1.477 120.188 118.700 0.018 0.000 2.902 307 N HA 0.264 5.061 4.740 0.094 0.000 0.268 307 N C -1.344 174.186 175.510 0.033 0.000 1.450 307 N CA -0.797 52.269 53.050 0.026 0.000 0.819 307 N CB 1.726 40.228 38.487 0.026 0.000 1.540 307 N HN 0.516 nan 8.380 nan 0.000 0.545 308 K N 1.227 121.654 120.400 0.045 0.000 2.273 308 K HA 0.226 4.602 4.320 0.094 0.000 0.287 308 K C -0.474 176.167 176.600 0.068 0.000 1.089 308 K CA -0.128 56.196 56.287 0.061 0.000 0.909 308 K CB 0.206 32.748 32.500 0.070 0.000 1.123 308 K HN 0.391 nan 8.250 nan 0.000 0.473 309 S N 2.303 118.034 115.700 0.051 0.000 2.563 309 S HA 0.051 4.578 4.470 0.094 0.000 0.294 309 S C -0.065 174.626 174.600 0.151 0.000 1.279 309 S CA -0.522 57.694 58.200 0.026 0.000 1.069 309 S CB 0.503 63.623 63.200 -0.132 0.000 0.828 309 S HN 0.513 nan 8.310 nan 0.000 0.497 310 V N 0.256 120.276 119.914 0.178 0.000 3.130 310 V HA 0.578 4.754 4.120 0.094 0.000 0.310 310 V C -0.599 175.679 176.094 0.307 0.000 1.158 310 V CA -1.374 61.075 62.300 0.250 0.000 1.029 310 V CB 1.918 33.831 31.823 0.150 0.000 1.057 310 V HN 0.583 nan 8.190 nan 0.000 0.436 311 D N 3.315 123.855 120.400 0.235 0.000 2.368 311 D HA 0.018 4.714 4.640 0.094 0.000 0.268 311 D C 1.223 177.565 176.300 0.070 0.000 1.298 311 D CA -0.159 53.933 54.000 0.153 0.000 0.938 311 D CB 0.470 41.275 40.800 0.009 0.000 1.101 311 D HN 0.831 nan 8.370 nan 0.000 0.509 312 W N 5.116 126.480 121.300 0.107 0.000 2.424 312 W HA -0.151 4.565 4.660 0.093 0.000 0.264 312 W C 0.760 177.347 176.519 0.113 0.000 1.229 312 W CA 0.061 57.462 57.345 0.094 0.000 1.208 312 W CB -0.548 28.959 29.460 0.078 0.000 1.127 312 W HN 0.370 nan 8.180 nan 0.000 0.588 313 R N 0.672 120.494 120.500 -1.130 0.000 2.119 313 R HA 0.026 4.422 4.340 0.094 0.000 0.222 313 R C 2.374 178.080 176.300 -0.989 0.000 1.088 313 R CA 1.407 56.714 56.100 -1.323 0.000 0.984 313 R CB -0.520 28.930 30.300 -1.416 0.000 0.884 313 R HN 0.200 nan 8.270 nan 0.000 0.447 314 I N 1.163 121.433 120.570 -0.500 0.000 2.248 314 I HA -0.294 3.933 4.170 0.094 0.000 0.248 314 I C 2.418 178.470 176.117 -0.109 0.000 1.107 314 I CA 1.282 62.499 61.300 -0.138 0.000 1.373 314 I CB -0.287 37.731 38.000 0.031 0.000 1.055 314 I HN 0.144 nan 8.210 nan 0.000 0.418 315 E N 0.882 121.012 120.200 -0.118 0.000 2.058 315 E HA -0.243 4.163 4.350 0.094 0.000 0.194 315 E C 2.190 178.676 176.600 -0.190 0.000 0.997 315 E CA 1.698 58.026 56.400 -0.120 0.000 0.801 315 E CB -0.237 29.387 29.700 -0.128 0.000 0.746 315 E HN 0.508 nan 8.360 nan 0.000 0.450 316 H N -1.262 117.669 119.070 -0.232 0.000 2.456 316 H HA -0.107 4.506 4.556 0.095 0.000 0.296 316 H C 1.819 176.967 175.328 -0.300 0.000 1.079 316 H CA 1.229 57.112 56.048 -0.275 0.000 1.322 316 H CB -0.132 29.414 29.762 -0.360 0.000 1.388 316 H HN 0.231 nan 8.280 nan 0.000 0.538 317 F N 1.966 121.815 119.950 -0.168 0.000 2.146 317 F HA -0.146 4.438 4.527 0.094 0.000 0.298 317 F C 2.460 178.192 175.800 -0.112 0.000 1.096 317 F CA 1.047 58.933 58.000 -0.190 0.000 1.275 317 F CB -0.320 38.583 39.000 -0.161 0.000 1.008 317 F HN 0.184 nan 8.300 nan 0.000 0.480 318 K N -0.433 120.031 120.400 0.107 0.000 2.365 318 K HA -0.081 4.296 4.320 0.094 0.000 0.199 318 K C 0.361 176.970 176.600 0.015 0.000 1.045 318 K CA 1.363 57.678 56.287 0.047 0.000 0.962 318 K CB -0.517 32.000 32.500 0.028 0.000 0.759 318 K HN 0.177 nan 8.250 nan 0.000 0.469 319 N N 1.094 119.792 118.700 -0.004 0.000 2.320 319 N HA 0.019 4.816 4.740 0.094 0.000 0.237 319 N C -0.418 175.090 175.510 -0.004 0.000 1.129 319 N CA 0.372 53.413 53.050 -0.015 0.000 0.854 319 N CB 1.243 39.704 38.487 -0.043 0.000 1.083 319 N HN 0.403 nan 8.380 nan 0.000 0.504 320 T N -5.292 109.265 114.554 0.006 0.000 3.412 320 T HA 0.079 4.486 4.350 0.094 0.000 0.305 320 T C -0.056 174.654 174.700 0.017 0.000 0.892 320 T CA -0.369 61.735 62.100 0.006 0.000 0.936 320 T CB 0.104 68.963 68.868 -0.015 0.000 1.202 320 T HN -0.064 nan 8.240 nan 0.000 0.621 321 D N 3.050 123.462 120.400 0.021 0.000 2.718 321 D HA -0.171 4.525 4.640 0.094 0.000 0.242 321 D C -0.273 176.066 176.300 0.064 0.000 1.123 321 D CA 1.029 55.042 54.000 0.022 0.000 0.690 321 D CB -1.954 38.838 40.800 -0.013 0.000 1.059 321 D HN 0.587 nan 8.370 nan 0.000 0.429 322 N N 0.189 118.929 118.700 0.066 0.000 2.746 322 N HA -0.235 4.561 4.740 0.094 0.000 0.250 322 N C 1.007 176.606 175.510 0.147 0.000 1.055 322 N CA 1.029 54.104 53.050 0.042 0.000 0.699 322 N CB -1.324 37.171 38.487 0.012 0.000 0.919 322 N HN 0.716 nan 8.380 nan 0.000 0.548 323 L N -3.017 118.277 121.223 0.118 0.000 4.625 323 L HA -0.349 4.048 4.340 0.094 0.000 0.428 323 L C 1.818 178.823 176.870 0.224 0.000 1.129 323 L CA 1.424 56.341 54.840 0.129 0.000 0.978 323 L CB -1.056 41.092 42.059 0.149 0.000 2.043 323 L HN 0.445 nan 8.230 nan 0.000 0.847 324 R N 0.179 120.773 120.500 0.157 0.000 2.189 324 R HA -0.093 4.303 4.340 0.094 0.000 0.223 324 R C 1.651 177.943 176.300 -0.014 0.000 1.092 324 R CA 1.152 57.205 56.100 -0.079 0.000 0.989 324 R CB 0.157 30.168 30.300 -0.480 0.000 0.876 324 R HN 0.323 nan 8.270 nan 0.000 0.457 325 L N -0.693 120.540 121.223 0.016 0.000 2.556 325 L HA 0.138 4.535 4.340 0.094 0.000 0.226 325 L C 0.569 177.463 176.870 0.040 0.000 1.089 325 L CA 0.272 55.125 54.840 0.020 0.000 0.864 325 L CB -0.343 41.718 42.059 0.004 0.000 1.067 325 L HN 0.088 nan 8.230 nan 0.000 0.477 326 C N 1.254 120.578 119.300 0.040 0.000 2.648 326 C HA 0.044 4.560 4.460 0.094 0.000 0.419 326 C C 1.899 176.901 174.990 0.019 0.000 1.352 326 C CA -0.254 58.770 59.018 0.009 0.000 1.816 326 C CB -0.388 27.338 27.740 -0.024 0.000 2.598 326 C HN 0.410 nan 8.230 nan 0.000 0.598 327 N N 1.558 120.242 118.700 -0.027 0.000 2.336 327 N HA 0.031 4.828 4.740 0.094 0.000 0.189 327 N C 0.554 175.965 175.510 -0.165 0.000 1.113 327 N CA 0.606 53.670 53.050 0.024 0.000 0.858 327 N CB 0.267 38.809 38.487 0.091 0.000 0.970 327 N HN 0.912 nan 8.380 nan 0.000 0.471 328 T N -2.312 111.977 114.554 -0.443 0.000 3.732 328 T HA 0.231 4.638 4.350 0.094 0.000 0.234 328 T C -2.033 172.040 174.700 -1.044 0.000 1.146 328 T CA -1.165 60.316 62.100 -1.032 0.000 1.454 328 T CB 1.555 69.625 68.868 -1.331 0.000 0.910 328 T HN -0.122 nan 8.240 nan 0.000 0.640 329 P HA -0.183 nan 4.420 nan 0.000 0.217 329 P C 1.586 178.495 177.300 -0.651 0.000 1.148 329 P CA 1.100 63.950 63.100 -0.415 0.000 0.828 329 P CB -0.354 31.195 31.700 -0.251 0.000 0.783 330 F N 0.483 119.963 119.950 -0.784 0.000 2.346 330 F HA -0.050 4.534 4.527 0.095 0.000 0.301 330 F C 2.105 177.804 175.800 -0.168 0.000 1.070 330 F CA 0.522 58.183 58.000 -0.565 0.000 1.407 330 F CB -1.628 37.137 39.000 -0.392 0.000 1.072 330 F HN -0.246 nan 8.300 nan 0.000 0.543 331 R N -0.195 120.063 120.500 -0.405 0.000 2.237 331 R HA -0.050 4.346 4.340 0.094 0.000 0.219 331 R C 0.903 176.938 176.300 -0.441 0.000 1.080 331 R CA 1.190 57.080 56.100 -0.351 0.000 0.995 331 R CB -0.474 29.405 30.300 -0.702 0.000 0.875 331 R HN 0.406 nan 8.270 nan 0.000 0.462 332 F N -1.616 118.351 119.950 0.028 0.000 2.720 332 F HA 0.148 4.731 4.527 0.093 0.000 0.301 332 F C 0.546 176.483 175.800 0.227 0.000 1.103 332 F CA -0.794 57.249 58.000 0.072 0.000 1.291 332 F CB 0.149 39.148 39.000 -0.002 0.000 1.086 332 F HN -0.172 nan 8.300 nan 0.000 0.592 333 F N 2.112 122.215 119.950 0.255 0.000 2.519 333 F HA 0.303 4.885 4.527 0.092 0.000 0.375 333 F C 0.473 176.467 175.800 0.323 0.000 1.084 333 F CA -0.447 57.757 58.000 0.340 0.000 1.147 333 F CB 0.324 39.552 39.000 0.380 0.000 1.088 333 F HN -0.206 nan 8.300 nan 0.000 0.555 334 S N 4.785 120.585 115.700 0.167 0.000 2.718 334 S HA 0.396 4.922 4.470 0.094 0.000 0.294 334 S C 1.063 175.733 174.600 0.116 0.000 1.157 334 S CA -0.176 58.172 58.200 0.245 0.000 1.121 334 S CB 0.622 63.961 63.200 0.232 0.000 1.015 334 S HN 0.968 nan 8.310 nan 0.000 0.479 335 G N 3.082 112.070 108.800 0.313 0.000 2.621 335 G HA2 -0.097 3.920 3.960 0.094 0.000 0.215 335 G HA3 -0.097 3.920 3.960 0.094 0.000 0.215 335 G C 1.126 176.125 174.900 0.165 0.000 1.127 335 G CA 0.536 45.819 45.100 0.305 0.000 0.747 335 G HN 0.902 nan 8.290 nan 0.000 0.561 336 G N -0.475 108.418 108.800 0.154 0.000 2.848 336 G HA2 0.140 4.156 3.960 0.094 0.000 0.208 336 G HA3 0.140 4.156 3.960 0.094 0.000 0.208 336 G C 0.427 175.416 174.900 0.148 0.000 1.152 336 G CA 0.379 45.562 45.100 0.137 0.000 0.789 336 G HN 0.549 nan 8.290 nan 0.000 0.531 337 N N -1.018 117.781 118.700 0.166 0.000 4.308 337 N HA 0.131 4.928 4.740 0.094 0.000 0.168 337 N C -0.970 174.660 175.510 0.201 0.000 1.348 337 N CA 0.165 53.386 53.050 0.285 0.000 0.882 337 N CB 0.135 38.805 38.487 0.304 0.000 1.713 337 N HN 0.408 nan 8.380 nan 0.000 0.818 338 V N -0.438 119.516 119.914 0.066 0.000 3.226 338 V HA 1.092 5.268 4.120 0.094 0.000 0.304 338 V C -1.017 174.757 176.094 -0.532 0.000 1.336 338 V CA -0.550 61.647 62.300 -0.172 0.000 1.066 338 V CB 1.303 32.973 31.823 -0.256 0.000 1.087 338 V HN 0.851 nan 8.190 nan 0.000 0.451 339 A N 1.244 123.682 122.820 -0.636 0.000 2.574 339 A HA 1.073 5.450 4.320 0.094 0.000 0.297 339 A C -1.192 176.268 177.584 -0.207 0.000 1.062 339 A CA -0.306 51.268 52.037 -0.772 0.000 0.686 339 A CB 1.776 19.869 19.000 -1.513 0.000 1.285 339 A HN 2.376 nan 8.150 nan 0.000 0.403 340 F N -1.345 118.565 119.950 -0.066 0.000 2.858 340 F HA 0.783 5.361 4.527 0.085 0.000 0.319 340 F C -0.190 175.754 175.800 0.240 0.000 1.166 340 F CA -0.871 57.186 58.000 0.096 0.000 0.899 340 F CB 0.834 39.918 39.000 0.140 0.000 1.332 340 F HN 1.060 nan 8.300 nan 0.000 0.461 341 A N 1.715 124.973 122.820 0.729 0.000 2.409 341 A HA 0.324 4.700 4.320 0.094 0.000 0.267 341 A C 1.237 179.109 177.584 0.480 0.000 1.127 341 A CA -0.139 52.200 52.037 0.503 0.000 0.795 341 A CB 0.459 19.653 19.000 0.323 0.000 1.061 341 A HN 0.960 nan 8.150 nan 0.000 0.502 342 K N 2.533 123.082 120.400 0.248 0.000 2.218 342 K HA -0.227 4.149 4.320 0.094 0.000 0.205 342 K C 1.863 178.580 176.600 0.195 0.000 1.046 342 K CA 2.023 58.452 56.287 0.236 0.000 0.933 342 K CB -0.121 32.471 32.500 0.153 0.000 0.728 342 K HN 0.855 nan 8.250 nan 0.000 0.454 343 K N -0.776 119.669 120.400 0.075 0.000 2.160 343 K HA -0.192 4.184 4.320 0.094 0.000 0.206 343 K C 1.566 178.145 176.600 -0.035 0.000 1.047 343 K CA 1.779 58.074 56.287 0.014 0.000 0.930 343 K CB -0.589 31.750 32.500 -0.270 0.000 0.720 343 K HN 0.282 nan 8.250 nan 0.000 0.450 344 W N 1.583 122.875 121.300 -0.013 0.000 2.392 344 W HA 0.013 4.731 4.660 0.096 0.000 0.279 344 W C 1.890 178.231 176.519 -0.298 0.000 1.225 344 W CA 0.161 57.399 57.345 -0.179 0.000 1.233 344 W CB -0.131 29.135 29.460 -0.324 0.000 1.122 344 W HN -0.021 nan 8.180 nan 0.000 0.561 345 L N -1.303 119.805 121.223 -0.191 0.000 2.083 345 L HA -0.194 4.202 4.340 0.094 0.000 0.209 345 L C 1.831 178.272 176.870 -0.714 0.000 1.083 345 L CA 1.226 55.617 54.840 -0.747 0.000 0.752 345 L CB -0.688 40.453 42.059 -1.529 0.000 0.899 345 L HN -0.024 nan 8.230 nan 0.000 0.433 346 F N -1.048 118.819 119.950 -0.138 0.000 2.661 346 F HA -0.010 4.553 4.527 0.061 0.000 0.298 346 F C 2.570 178.379 175.800 0.014 0.000 1.137 346 F CA 0.537 58.548 58.000 0.019 0.000 1.454 346 F CB -0.278 38.741 39.000 0.033 0.000 1.103 346 F HN -0.063 nan 8.300 nan 0.000 0.577 347 R N -0.055 120.507 120.500 0.103 0.000 2.103 347 R HA 0.249 4.646 4.340 0.094 0.000 0.212 347 R C 1.927 178.265 176.300 0.064 0.000 1.107 347 R CA 0.915 57.070 56.100 0.093 0.000 1.025 347 R CB -0.130 30.224 30.300 0.091 0.000 0.929 347 R HN 0.119 nan 8.270 nan 0.000 0.456 348 A N 0.078 122.900 122.820 0.003 0.000 2.348 348 A HA 0.422 4.798 4.320 0.094 0.000 0.224 348 A C 0.597 178.133 177.584 -0.080 0.000 1.227 348 A CA 0.532 52.504 52.037 -0.109 0.000 0.885 348 A CB 0.347 19.162 19.000 -0.309 0.000 0.933 348 A HN 0.565 nan 8.150 nan 0.000 0.506 349 G N -1.896 106.884 108.800 -0.033 0.000 2.627 349 G HA2 -0.092 3.925 3.960 0.094 0.000 0.214 349 G HA3 -0.092 3.925 3.960 0.094 0.000 0.214 349 G C -0.517 174.418 174.900 0.058 0.000 1.331 349 G CA -0.307 44.859 45.100 0.111 0.000 0.891 349 G HN 0.624 nan 8.290 nan 0.000 0.539 350 W N -1.271 120.116 121.300 0.146 0.000 3.075 350 W HA 0.781 5.462 4.660 0.035 0.000 0.334 350 W C 0.237 176.782 176.519 0.044 0.000 1.288 350 W CA -1.231 56.195 57.345 0.135 0.000 1.095 350 W CB 0.034 29.566 29.460 0.121 0.000 1.564 350 W HN 0.424 nan 8.180 nan 0.000 0.629 351 F N 1.831 121.858 119.950 0.129 0.000 2.538 351 F HA 0.003 4.582 4.527 0.086 0.000 0.371 351 F C 1.150 177.082 175.800 0.220 0.000 1.087 351 F CA 0.260 58.289 58.000 0.048 0.000 1.250 351 F CB 0.129 39.089 39.000 -0.066 0.000 1.110 351 F HN -0.017 nan 8.300 nan 0.000 0.570 352 D N 4.091 124.752 120.400 0.435 0.000 2.349 352 D HA -0.024 4.672 4.640 0.094 0.000 0.266 352 D C 0.806 177.372 176.300 0.443 0.000 1.293 352 D CA 0.303 54.574 54.000 0.451 0.000 0.926 352 D CB 0.440 41.610 40.800 0.617 0.000 1.090 352 D HN 0.644 nan 8.370 nan 0.000 0.502 353 E N 2.057 122.421 120.200 0.274 0.000 2.515 353 E HA -0.112 4.295 4.350 0.094 0.000 0.201 353 E C 0.962 177.660 176.600 0.163 0.000 1.071 353 E CA 0.379 56.907 56.400 0.214 0.000 0.880 353 E CB 0.364 30.160 29.700 0.159 0.000 0.828 353 E HN 0.582 nan 8.360 nan 0.000 0.540 354 E N -0.063 120.188 120.200 0.085 0.000 2.435 354 E HA -0.028 4.378 4.350 0.094 0.000 0.195 354 E C -0.242 176.314 176.600 -0.073 0.000 1.029 354 E CA -0.053 56.325 56.400 -0.036 0.000 0.865 354 E CB 0.178 29.785 29.700 -0.155 0.000 0.833 354 E HN 0.103 nan 8.360 nan 0.000 0.510 355 F N 1.591 121.619 119.950 0.130 0.000 2.484 355 F HA -0.011 4.571 4.527 0.091 0.000 0.360 355 F C 1.480 177.383 175.800 0.170 0.000 1.101 355 F CA -0.052 58.034 58.000 0.143 0.000 1.251 355 F CB 0.635 39.734 39.000 0.165 0.000 1.132 355 F HN -0.145 nan 8.300 nan 0.000 0.570 356 T N -0.417 114.343 114.554 0.343 0.000 2.891 356 T HA 0.115 4.521 4.350 0.094 0.000 0.294 356 T C 1.463 176.254 174.700 0.153 0.000 1.065 356 T CA -0.119 62.141 62.100 0.268 0.000 0.936 356 T CB 0.444 69.458 68.868 0.244 0.000 1.415 356 T HN 0.717 nan 8.240 nan 0.000 0.572 357 H N -1.378 117.553 119.070 -0.231 0.000 2.545 357 H HA -0.043 4.569 4.556 0.094 0.000 0.282 357 H C 1.315 176.330 175.328 -0.521 0.000 1.020 357 H CA 0.822 56.323 56.048 -0.911 0.000 1.243 357 H CB -0.661 28.283 29.762 -1.364 0.000 1.377 357 H HN 0.691 nan 8.280 nan 0.000 0.581 358 W N 2.148 123.062 121.300 -0.643 0.000 2.595 358 W HA 0.238 4.954 4.660 0.093 0.000 0.257 358 W C 1.371 177.810 176.519 -0.134 0.000 1.267 358 W CA 1.335 58.455 57.345 -0.376 0.000 1.300 358 W CB 0.119 29.377 29.460 -0.336 0.000 1.120 358 W HN 0.611 nan 8.180 nan 0.000 0.618 359 G N -0.649 108.228 108.800 0.128 0.000 2.660 359 G HA2 0.235 4.252 3.960 0.094 0.000 0.247 359 G HA3 0.235 4.252 3.960 0.094 0.000 0.247 359 G C 0.635 175.558 174.900 0.040 0.000 1.328 359 G CA 0.037 45.196 45.100 0.098 0.000 0.884 359 G HN 1.041 nan 8.290 nan 0.000 0.531 360 G N -2.044 106.681 108.800 -0.125 0.000 2.316 360 G HA2 0.008 4.024 3.960 0.094 0.000 0.203 360 G HA3 0.008 4.024 3.960 0.094 0.000 0.203 360 G C 1.018 175.507 174.900 -0.686 0.000 0.999 360 G CA 1.036 45.977 45.100 -0.266 0.000 0.649 360 G HN 1.973 nan 8.290 nan 0.000 0.489 361 E N 1.720 121.333 120.200 -0.979 0.000 2.160 361 E HA -0.014 4.392 4.350 0.094 0.000 0.195 361 E C 1.556 178.070 176.600 -0.143 0.000 0.991 361 E CA 1.627 57.521 56.400 -0.843 0.000 0.810 361 E CB -0.358 29.171 29.700 -0.286 0.000 0.742 361 E HN 0.429 nan 8.360 nan 0.000 0.466 362 D N 0.381 120.817 120.400 0.059 0.000 2.075 362 D HA -0.098 4.598 4.640 0.094 0.000 0.196 362 D C 1.701 178.141 176.300 0.233 0.000 0.985 362 D CA 1.257 55.451 54.000 0.323 0.000 0.834 362 D CB -0.579 40.461 40.800 0.399 0.000 0.987 362 D HN 0.099 nan 8.370 nan 0.000 0.452 363 N N 0.651 119.444 118.700 0.155 0.000 2.036 363 N HA -0.163 4.634 4.740 0.094 0.000 0.195 363 N C 1.544 177.092 175.510 0.062 0.000 1.037 363 N CA 1.002 54.156 53.050 0.173 0.000 0.855 363 N CB -0.151 38.437 38.487 0.168 0.000 1.033 363 N HN 0.139 nan 8.380 nan 0.000 0.423 364 E N -0.341 119.859 120.200 -0.000 0.000 2.118 364 E HA -0.197 4.210 4.350 0.094 0.000 0.195 364 E C 1.752 178.379 176.600 0.044 0.000 0.992 364 E CA 0.821 57.258 56.400 0.061 0.000 0.804 364 E CB -0.222 29.565 29.700 0.146 0.000 0.741 364 E HN 0.362 nan 8.360 nan 0.000 0.458 365 F N 0.628 120.447 119.950 -0.218 0.000 2.128 365 F HA 0.033 4.612 4.527 0.088 0.000 0.295 365 F C 2.223 177.731 175.800 -0.486 0.000 1.100 365 F CA 1.871 59.620 58.000 -0.420 0.000 1.260 365 F CB -0.810 37.760 39.000 -0.716 0.000 1.009 365 F HN 0.025 nan 8.300 nan 0.000 0.476 366 G N -0.830 107.660 108.800 -0.517 0.000 2.469 366 G HA2 -0.383 3.634 3.960 0.094 0.000 0.220 366 G HA3 -0.383 3.634 3.960 0.094 0.000 0.220 366 G C 1.626 176.415 174.900 -0.185 0.000 1.136 366 G CA 1.138 45.955 45.100 -0.472 0.000 0.759 366 G HN 0.527 nan 8.290 nan 0.000 0.562 367 Y N 1.615 121.656 120.300 -0.431 0.000 2.145 367 Y HA -0.072 4.536 4.550 0.096 0.000 0.286 367 Y C 2.842 178.541 175.900 -0.334 0.000 1.145 367 Y CA 1.716 59.406 58.100 -0.682 0.000 1.148 367 Y CB -0.345 37.627 38.460 -0.815 0.000 0.981 367 Y HN 0.121 nan 8.280 nan 0.000 0.507 368 R N -0.718 119.401 120.500 -0.635 0.000 2.189 368 R HA -0.102 4.295 4.340 0.094 0.000 0.223 368 R C 1.973 177.930 176.300 -0.573 0.000 1.092 368 R CA 0.950 56.659 56.100 -0.653 0.000 0.989 368 R CB -0.336 29.709 30.300 -0.425 0.000 0.876 368 R HN 0.304 nan 8.270 nan 0.000 0.457 369 L N -0.423 120.414 121.223 -0.644 0.000 2.072 369 L HA -0.153 4.243 4.340 0.094 0.000 0.205 369 L C 2.009 178.591 176.870 -0.480 0.000 1.079 369 L CA 1.606 56.006 54.840 -0.734 0.000 0.752 369 L CB -0.786 40.740 42.059 -0.887 0.000 0.906 369 L HN 0.113 nan 8.230 nan 0.000 0.436 370 Y N 0.115 120.253 120.300 -0.269 0.000 2.163 370 Y HA -0.219 4.387 4.550 0.093 0.000 0.288 370 Y C 2.798 178.581 175.900 -0.195 0.000 1.136 370 Y CA 1.665 59.716 58.100 -0.083 0.000 1.147 370 Y CB -0.117 38.435 38.460 0.154 0.000 0.987 370 Y HN 0.051 nan 8.280 nan 0.000 0.509 371 R N 0.368 120.738 120.500 -0.217 0.000 2.293 371 R HA -0.136 4.260 4.340 0.094 0.000 0.219 371 R C 1.129 177.314 176.300 -0.191 0.000 1.091 371 R CA 1.442 57.429 56.100 -0.189 0.000 1.004 371 R CB 0.011 30.069 30.300 -0.402 0.000 0.865 371 R HN 0.451 nan 8.270 nan 0.000 0.469 372 E N -1.652 118.417 120.200 -0.218 0.000 2.307 372 E HA 0.089 4.496 4.350 0.094 0.000 0.195 372 E C 1.116 177.685 176.600 -0.051 0.000 0.975 372 E CA 0.920 57.274 56.400 -0.076 0.000 0.878 372 E CB 0.952 30.670 29.700 0.030 0.000 0.845 372 E HN 0.509 nan 8.360 nan 0.000 0.488 373 G N 1.162 109.818 108.800 -0.240 0.000 2.227 373 G HA2 -0.215 3.802 3.960 0.094 0.000 0.168 373 G HA3 -0.215 3.802 3.960 0.094 0.000 0.168 373 G C 0.344 175.042 174.900 -0.336 0.000 1.006 373 G CA -0.123 44.839 45.100 -0.230 0.000 0.684 373 G HN 0.300 nan 8.290 nan 0.000 0.489 374 C N 1.398 120.225 119.300 -0.789 0.000 2.676 374 C HA 0.707 5.223 4.460 0.094 0.000 0.416 374 C C 0.962 175.547 174.990 -0.675 0.000 1.299 374 C CA -0.422 57.900 59.018 -1.160 0.000 2.048 374 C CB -0.737 25.640 27.740 -2.271 0.000 2.713 374 C HN 0.324 nan 8.230 nan 0.000 0.624 375 Y N 2.148 122.203 120.300 -0.409 0.000 2.480 375 Y HA 0.643 5.249 4.550 0.093 0.000 0.323 375 Y C 0.075 175.715 175.900 -0.432 0.000 1.267 375 Y CA -0.360 57.648 58.100 -0.154 0.000 1.336 375 Y CB 0.881 39.388 38.460 0.078 0.000 1.361 375 Y HN 0.582 nan 8.280 nan 0.000 0.518 376 F N 0.576 120.669 119.950 0.238 0.000 2.540 376 F HA 0.649 5.234 4.527 0.096 0.000 0.317 376 F C -0.226 175.600 175.800 0.043 0.000 1.104 376 F CA -0.878 57.210 58.000 0.147 0.000 0.913 376 F CB 2.083 41.209 39.000 0.211 0.000 1.170 376 F HN 0.233 nan 8.300 nan 0.000 0.450 377 R N 0.903 121.421 120.500 0.029 0.000 2.707 377 R HA 0.668 5.065 4.340 0.094 0.000 0.272 377 R C -1.638 174.559 176.300 -0.171 0.000 1.011 377 R CA -0.548 55.424 56.100 -0.213 0.000 0.893 377 R CB 2.063 31.952 30.300 -0.686 0.000 1.233 377 R HN 0.687 nan 8.270 nan 0.000 0.464 378 S N 1.494 117.033 115.700 -0.269 0.000 2.489 378 S HA 0.540 5.067 4.470 0.094 0.000 0.291 378 S C -0.996 173.393 174.600 -0.353 0.000 1.151 378 S CA -0.654 57.245 58.200 -0.502 0.000 1.082 378 S CB 1.827 64.409 63.200 -1.029 0.000 1.019 378 S HN 0.321 nan 8.310 nan 0.000 0.492 379 V N 2.894 122.606 119.914 -0.336 0.000 2.531 379 V HA 0.336 4.512 4.120 0.094 0.000 0.301 379 V C 0.861 176.787 176.094 -0.279 0.000 1.034 379 V CA -0.588 61.542 62.300 -0.285 0.000 0.865 379 V CB 1.805 33.433 31.823 -0.325 0.000 0.995 379 V HN 0.887 nan 8.190 nan 0.000 0.424 380 E N 3.402 123.476 120.200 -0.210 0.000 2.230 380 E HA -0.024 4.383 4.350 0.094 0.000 0.192 380 E C 2.011 178.521 176.600 -0.150 0.000 0.987 380 E CA 1.021 57.328 56.400 -0.155 0.000 0.841 380 E CB 0.427 30.066 29.700 -0.102 0.000 0.783 380 E HN 0.940 nan 8.360 nan 0.000 0.481 381 G N 0.369 109.058 108.800 -0.185 0.000 2.679 381 G HA2 -0.075 3.942 3.960 0.094 0.000 0.212 381 G HA3 -0.075 3.942 3.960 0.094 0.000 0.212 381 G C 1.232 175.989 174.900 -0.237 0.000 1.137 381 G CA 0.627 45.623 45.100 -0.173 0.000 0.787 381 G HN 0.237 nan 8.290 nan 0.000 0.534 382 A N -0.093 122.514 122.820 -0.354 0.000 2.423 382 A HA 0.559 4.935 4.320 0.094 0.000 0.246 382 A C 0.933 178.510 177.584 -0.012 0.000 1.278 382 A CA -0.384 51.377 52.037 -0.460 0.000 0.903 382 A CB -0.241 18.117 19.000 -1.071 0.000 0.997 382 A HN 0.309 nan 8.150 nan 0.000 0.510 383 M N 1.279 120.855 119.600 -0.040 0.000 2.290 383 M HA 0.334 4.871 4.480 0.094 0.000 0.356 383 M C -0.009 176.245 176.300 -0.077 0.000 1.448 383 M CA 0.179 55.425 55.300 -0.090 0.000 0.993 383 M CB -0.126 32.383 32.600 -0.151 0.000 1.934 383 M HN 0.400 nan 8.290 nan 0.000 0.461 384 A N 5.328 128.046 122.820 -0.170 0.000 2.380 384 A HA 0.711 5.088 4.320 0.094 0.000 0.315 384 A C -1.800 175.583 177.584 -0.335 0.000 1.101 384 A CA -0.582 51.358 52.037 -0.162 0.000 0.771 384 A CB 0.850 19.816 19.000 -0.057 0.000 1.287 384 A HN 0.795 nan 8.150 nan 0.000 0.436 385 Y N 1.463 121.685 120.300 -0.130 0.000 2.334 385 Y HA 0.280 4.886 4.550 0.094 0.000 0.336 385 Y C 0.531 176.378 175.900 -0.088 0.000 0.960 385 Y CA -0.252 57.785 58.100 -0.105 0.000 1.164 385 Y CB 1.098 39.500 38.460 -0.097 0.000 1.155 385 Y HN 0.744 nan 8.280 nan 0.000 0.478 386 H N 5.002 124.018 119.070 -0.090 0.000 2.864 386 H HA 0.163 4.775 4.556 0.094 0.000 0.281 386 H C -0.666 174.716 175.328 0.090 0.000 1.093 386 H CA -0.251 55.772 56.048 -0.042 0.000 1.453 386 H CB 0.511 30.173 29.762 -0.168 0.000 1.462 386 H HN 0.788 nan 8.280 nan 0.000 0.480 387 Q N 3.753 123.505 119.800 -0.079 0.000 2.286 387 Q HA -0.018 4.379 4.340 0.094 0.000 0.267 387 Q C 0.036 176.099 176.000 0.105 0.000 1.028 387 Q CA -0.092 55.729 55.803 0.030 0.000 0.901 387 Q CB 0.816 29.530 28.738 -0.040 0.000 1.183 387 Q HN 0.609 nan 8.270 nan 0.000 0.392 388 E N 5.851 126.193 120.200 0.236 0.000 2.606 388 E HA -0.030 4.377 4.350 0.094 0.000 0.248 388 E C -2.048 174.647 176.600 0.159 0.000 1.005 388 E CA -0.999 55.548 56.400 0.246 0.000 0.946 388 E CB 0.391 30.207 29.700 0.194 0.000 0.928 388 E HN 0.227 nan 8.360 nan 0.000 0.494 389 P HA 0.167 nan 4.420 nan 0.000 0.276 389 P C -2.173 175.180 177.300 0.089 0.000 1.235 389 P CA -1.016 62.152 63.100 0.114 0.000 0.772 389 P CB 0.336 32.118 31.700 0.136 0.000 0.871 404 I N 0.959 121.482 120.570 -0.078 0.000 2.578 404 I HA 0.454 4.681 4.170 0.094 0.000 0.284 404 I C 0.761 176.810 176.117 -0.113 0.000 1.156 404 I CA -0.360 60.881 61.300 -0.098 0.000 1.165 404 I CB 0.701 38.642 38.000 -0.099 0.000 1.567 404 I HN 0.447 nan 8.210 nan 0.000 0.546 405 T N -0.261 114.214 114.554 -0.131 0.000 2.904 405 T HA -0.070 4.336 4.350 0.094 0.000 0.267 405 T C 1.643 176.198 174.700 -0.241 0.000 1.059 405 T CA 1.077 63.084 62.100 -0.156 0.000 1.137 405 T CB -0.366 68.400 68.868 -0.169 0.000 0.879 405 T HN 0.376 nan 8.240 nan 0.000 0.467 406 V N 2.198 121.959 119.914 -0.255 0.000 2.546 406 V HA -0.221 3.955 4.120 0.094 0.000 0.254 406 V C 2.574 178.539 176.094 -0.215 0.000 1.076 406 V CA 1.947 64.070 62.300 -0.295 0.000 1.087 406 V CB -0.981 30.752 31.823 -0.150 0.000 0.674 406 V HN 0.640 nan 8.190 nan 0.000 0.470 407 Q N -0.962 118.741 119.800 -0.162 0.000 2.403 407 Q HA 0.197 4.593 4.340 0.094 0.000 0.203 407 Q C 1.899 177.830 176.000 -0.115 0.000 0.932 407 Q CA 0.401 56.126 55.803 -0.130 0.000 0.945 407 Q CB 0.208 28.870 28.738 -0.127 0.000 1.045 407 Q HN 0.580 nan 8.270 nan 0.000 0.511 408 L N -0.635 120.521 121.223 -0.112 0.000 2.286 408 L HA -0.028 4.368 4.340 0.094 0.000 0.203 408 L C 1.687 178.569 176.870 0.020 0.000 1.068 408 L CA 0.165 54.990 54.840 -0.025 0.000 0.811 408 L CB -0.147 41.921 42.059 0.016 0.000 0.989 408 L HN 0.206 nan 8.230 nan 0.000 0.467 409 L N -0.326 120.836 121.223 -0.101 0.000 1.973 409 L HA -0.160 4.237 4.340 0.094 0.000 0.208 409 L C 2.292 179.135 176.870 -0.046 0.000 1.073 409 L CA 1.506 56.294 54.840 -0.087 0.000 0.746 409 L CB -1.591 40.269 42.059 -0.332 0.000 0.891 409 L HN 0.246 nan 8.230 nan 0.000 0.433 410 Q N -0.309 119.437 119.800 -0.090 0.000 2.629 410 Q HA -0.353 4.044 4.340 0.094 0.000 0.236 410 Q C 2.192 178.179 176.000 -0.021 0.000 1.166 410 Q CA 2.716 58.491 55.803 -0.048 0.000 1.024 410 Q CB -0.732 27.970 28.738 -0.060 0.000 0.949 410 Q HN 0.462 nan 8.270 nan 0.000 0.570 411 Q N -0.720 119.070 119.800 -0.016 0.000 2.079 411 Q HA -0.053 4.344 4.340 0.094 0.000 0.200 411 Q C 1.577 177.588 176.000 0.018 0.000 0.974 411 Q CA 1.819 57.619 55.803 -0.005 0.000 0.840 411 Q CB -0.008 28.716 28.738 -0.023 0.000 0.898 411 Q HN 0.510 nan 8.270 nan 0.000 0.430 412 K N -0.354 120.072 120.400 0.043 0.000 2.358 412 K HA 0.177 4.553 4.320 0.094 0.000 0.197 412 K C -0.280 176.353 176.600 0.056 0.000 1.025 412 K CA -0.011 56.330 56.287 0.089 0.000 1.104 412 K CB 1.340 33.937 32.500 0.163 0.000 0.855 412 K HN -0.149 nan 8.250 nan 0.000 0.531 413 V N 3.282 123.151 119.914 -0.075 0.000 2.380 413 V HA 0.103 4.279 4.120 0.094 0.000 0.268 413 V C -1.832 174.087 176.094 -0.291 0.000 1.008 413 V CA -1.250 60.806 62.300 -0.407 0.000 0.823 413 V CB 1.408 33.018 31.823 -0.355 0.000 1.053 413 V HN 0.014 nan 8.190 nan 0.000 0.446 414 P HA -0.168 nan 4.420 nan 0.000 0.215 414 P C 1.360 178.647 177.300 -0.023 0.000 1.157 414 P CA 1.116 64.187 63.100 -0.048 0.000 0.859 414 P CB 0.461 32.206 31.700 0.074 0.000 0.786 415 Y N 0.959 121.078 120.300 -0.303 0.000 1.518 415 Y HA -0.310 4.297 4.550 0.095 0.000 0.112 415 Y C 2.310 178.172 175.900 -0.064 0.000 0.680 415 Y CA 1.369 59.304 58.100 -0.275 0.000 0.501 415 Y CB -1.784 36.248 38.460 -0.713 0.000 0.631 415 Y HN -0.156 nan 8.280 nan 0.000 0.751 416 F N -0.369 119.008 119.950 -0.954 0.000 2.065 416 F HA -0.286 4.297 4.527 0.094 0.000 0.298 416 F C 2.105 177.603 175.800 -0.503 0.000 1.112 416 F CA 2.125 59.578 58.000 -0.912 0.000 1.212 416 F CB -1.078 37.330 39.000 -0.987 0.000 0.975 416 F HN 0.342 nan 8.300 nan 0.000 0.476 417 Y N -0.131 120.058 120.300 -0.186 0.000 2.163 417 Y HA -0.071 4.535 4.550 0.093 0.000 0.288 417 Y C 1.391 177.164 175.900 -0.212 0.000 1.136 417 Y CA 1.146 59.110 58.100 -0.227 0.000 1.147 417 Y CB -1.145 37.254 38.460 -0.102 0.000 0.987 417 Y HN -0.172 nan 8.280 nan 0.000 0.509 418 R N 2.329 122.836 120.500 0.012 0.000 2.473 418 R HA 0.048 4.445 4.340 0.094 0.000 0.315 418 R C -0.733 175.539 176.300 -0.046 0.000 0.972 418 R CA 0.220 56.312 56.100 -0.013 0.000 1.047 418 R CB -0.084 30.220 30.300 0.007 0.000 0.932 418 R HN 0.018 nan 8.270 nan 0.000 0.411 419 K N 2.880 123.251 120.400 -0.048 0.000 2.156 419 K HA 0.265 4.641 4.320 0.094 0.000 0.250 419 K C -0.777 175.805 176.600 -0.029 0.000 0.955 419 K CA -0.800 55.453 56.287 -0.056 0.000 0.855 419 K CB 1.185 33.642 32.500 -0.072 0.000 1.101 419 K HN 0.465 nan 8.250 nan 0.000 0.434 420 K N 2.390 122.777 120.400 -0.021 0.000 2.451 420 K HA -0.009 4.367 4.320 0.094 0.000 0.280 420 K C -0.763 175.833 176.600 -0.007 0.000 1.020 420 K CA 0.521 56.806 56.287 -0.005 0.000 1.008 420 K CB 0.437 32.940 32.500 0.004 0.000 0.917 420 K HN 0.554 nan 8.250 nan 0.000 0.478 421 E N 3.242 123.441 120.200 -0.002 0.000 2.222 421 E HA 0.239 4.646 4.350 0.094 0.000 0.267 421 E C -0.883 175.719 176.600 0.003 0.000 0.963 421 E CA -0.953 55.444 56.400 -0.006 0.000 0.837 421 E CB 1.612 31.304 29.700 -0.013 0.000 1.183 421 E HN 0.353 nan 8.360 nan 0.000 0.403 422 K N 1.323 121.724 120.400 0.002 0.000 2.201 422 K HA 0.147 4.523 4.320 0.094 0.000 0.278 422 K C 0.834 177.433 176.600 -0.002 0.000 1.027 422 K CA -0.391 55.905 56.287 0.014 0.000 0.909 422 K CB 0.865 33.375 32.500 0.016 0.000 1.062 422 K HN 0.380 nan 8.250 nan 0.000 0.465 423 I N 2.216 122.785 120.570 -0.002 0.000 2.210 423 I HA -0.469 3.757 4.170 0.094 0.000 0.249 423 I C 2.120 178.199 176.117 -0.063 0.000 1.047 423 I CA 1.683 62.938 61.300 -0.076 0.000 1.323 423 I CB -0.837 37.087 38.000 -0.127 0.000 1.017 423 I HN 0.700 nan 8.210 nan 0.000 0.427 424 E N 1.189 121.374 120.200 -0.024 0.000 2.012 424 E HA -0.223 4.184 4.350 0.094 0.000 0.197 424 E C 2.129 178.712 176.600 -0.027 0.000 1.007 424 E CA 2.154 58.541 56.400 -0.021 0.000 0.816 424 E CB -1.062 28.634 29.700 -0.006 0.000 0.762 424 E HN 0.696 nan 8.360 nan 0.000 0.451 425 S N 0.508 116.194 115.700 -0.022 0.000 2.575 425 S HA 0.424 4.950 4.470 0.094 0.000 0.215 425 S C 0.992 175.575 174.600 -0.028 0.000 0.966 425 S CA -0.018 58.167 58.200 -0.024 0.000 0.911 425 S CB 0.014 63.201 63.200 -0.021 0.000 0.780 425 S HN 0.451 nan 8.310 nan 0.000 0.514 426 A N 1.350 124.151 122.820 -0.032 0.000 2.425 426 A HA 0.578 4.955 4.320 0.094 0.000 0.242 426 A C 0.333 177.896 177.584 -0.035 0.000 1.077 426 A CA 0.097 52.115 52.037 -0.032 0.000 0.781 426 A CB 0.256 19.233 19.000 -0.038 0.000 1.020 426 A HN 0.356 nan 8.150 nan 0.000 0.494 427 T N 1.040 115.579 114.554 -0.026 0.000 2.889 427 T HA 0.479 4.886 4.350 0.094 0.000 0.315 427 T C -0.322 174.372 174.700 -0.009 0.000 1.291 427 T CA -0.678 61.409 62.100 -0.022 0.000 1.028 427 T CB 0.337 69.192 68.868 -0.022 0.000 1.235 427 T HN 0.598 nan 8.240 nan 0.000 0.491 428 L N 2.997 124.219 121.223 -0.003 0.000 2.517 428 L HA 0.262 4.658 4.340 0.094 0.000 0.294 428 L C 0.401 177.278 176.870 0.012 0.000 1.264 428 L CA 0.101 54.949 54.840 0.013 0.000 0.839 428 L CB 0.229 42.299 42.059 0.020 0.000 1.098 428 L HN 0.437 nan 8.230 nan 0.000 0.525 429 K N 1.408 121.822 120.400 0.023 0.000 2.324 429 K HA 0.239 4.616 4.320 0.094 0.000 0.253 429 K C 0.340 176.957 176.600 0.029 0.000 0.932 429 K CA -0.867 55.434 56.287 0.023 0.000 0.799 429 K CB 1.926 34.445 32.500 0.031 0.000 1.154 429 K HN 0.307 nan 8.250 nan 0.000 0.425 430 R N 1.148 121.660 120.500 0.021 0.000 2.112 430 R HA -0.078 4.318 4.340 0.094 0.000 0.242 430 R C 0.177 176.503 176.300 0.043 0.000 1.137 430 R CA 1.662 57.776 56.100 0.024 0.000 0.944 430 R CB -0.220 30.087 30.300 0.011 0.000 0.857 430 R HN 0.348 nan 8.270 nan 0.000 0.435 431 V N 3.431 123.378 119.914 0.055 0.000 2.378 431 V HA 0.373 4.550 4.120 0.094 0.000 0.288 431 V C -2.261 173.881 176.094 0.080 0.000 1.016 431 V CA -2.053 60.294 62.300 0.079 0.000 0.840 431 V CB 1.481 33.372 31.823 0.113 0.000 0.994 431 V HN 0.286 nan 8.190 nan 0.000 0.431 432 P HA 0.090 nan 4.420 nan 0.000 0.271 432 P C 0.750 178.119 177.300 0.114 0.000 1.218 432 P CA -0.216 62.934 63.100 0.083 0.000 0.780 432 P CB 1.640 33.382 31.700 0.071 0.000 0.901 433 L N 2.547 123.846 121.223 0.127 0.000 2.156 433 L HA 0.053 4.450 4.340 0.094 0.000 0.208 433 L C 0.121 177.129 176.870 0.229 0.000 1.095 433 L CA 1.603 56.559 54.840 0.193 0.000 0.770 433 L CB 0.125 42.291 42.059 0.179 0.000 0.914 433 L HN 0.078 nan 8.230 nan 0.000 0.439 434 V N -0.312 119.694 119.914 0.153 0.000 2.823 434 V HA 0.415 4.591 4.120 0.094 0.000 0.312 434 V C -0.440 175.692 176.094 0.065 0.000 1.072 434 V CA -0.574 61.800 62.300 0.124 0.000 0.937 434 V CB 1.950 33.845 31.823 0.119 0.000 1.013 434 V HN 0.134 nan 8.190 nan 0.000 0.430 435 S N 4.474 120.188 115.700 0.024 0.000 2.707 435 S HA 0.575 5.102 4.470 0.094 0.000 0.303 435 S C -0.750 173.854 174.600 0.007 0.000 1.132 435 S CA -0.380 57.824 58.200 0.005 0.000 1.046 435 S CB 0.910 64.096 63.200 -0.025 0.000 1.004 435 S HN 0.454 nan 8.310 nan 0.000 0.483 436 I N 5.036 125.617 120.570 0.019 0.000 2.291 436 I HA 0.231 4.457 4.170 0.094 0.000 0.290 436 I C -0.036 176.092 176.117 0.019 0.000 1.050 436 I CA -0.652 60.655 61.300 0.013 0.000 1.245 436 I CB 0.039 38.043 38.000 0.006 0.000 1.405 436 I HN 0.699 nan 8.210 nan 0.000 0.478 437 Y N 7.314 127.601 120.300 -0.021 0.000 2.301 437 Y HA 0.790 5.397 4.550 0.096 0.000 0.325 437 Y C -0.537 175.375 175.900 0.020 0.000 1.203 437 Y CA -0.934 57.147 58.100 -0.032 0.000 1.255 437 Y CB 1.062 39.470 38.460 -0.085 0.000 1.232 437 Y HN 0.355 nan 8.280 nan 0.000 0.501 438 I N 5.256 125.898 120.570 0.121 0.000 2.531 438 I HA 0.284 4.511 4.170 0.094 0.000 0.283 438 I C -2.758 173.447 176.117 0.146 0.000 1.083 438 I CA -2.275 59.055 61.300 0.050 0.000 1.071 438 I CB 2.261 40.266 38.000 0.009 0.000 1.210 438 I HN 0.475 nan 8.210 nan 0.000 0.450 439 P HA 0.285 nan 4.420 nan 0.000 0.282 439 P C -0.791 176.597 177.300 0.147 0.000 1.274 439 P CA -0.114 63.079 63.100 0.155 0.000 0.770 439 P CB 1.603 33.403 31.700 0.168 0.000 0.867 440 A N 4.643 127.545 122.820 0.137 0.000 2.319 440 A HA 0.504 4.881 4.320 0.094 0.000 0.310 440 A C -1.590 176.136 177.584 0.236 0.000 1.152 440 A CA -0.724 51.406 52.037 0.155 0.000 0.783 440 A CB 0.867 19.931 19.000 0.106 0.000 1.184 440 A HN 0.641 nan 8.150 nan 0.000 0.474 441 Y N 3.592 123.933 120.300 0.068 0.000 2.333 441 Y HA 0.249 4.856 4.550 0.095 0.000 0.324 441 Y C 0.275 176.208 175.900 0.055 0.000 1.033 441 Y CA -0.767 57.370 58.100 0.061 0.000 1.224 441 Y CB 0.906 39.408 38.460 0.069 0.000 1.120 441 Y HN 0.902 nan 8.280 nan 0.000 0.457 442 N N 2.093 120.768 118.700 -0.043 0.000 2.753 442 N HA -0.213 4.583 4.740 0.094 0.000 0.251 442 N C 0.095 175.540 175.510 -0.108 0.000 1.097 442 N CA 1.334 54.271 53.050 -0.189 0.000 0.786 442 N CB -1.931 36.284 38.487 -0.453 0.000 1.137 442 N HN 0.600 nan 8.380 nan 0.000 0.566 443 C N -0.811 118.471 119.300 -0.030 0.000 3.297 443 C HA 0.470 4.987 4.460 0.094 0.000 0.533 443 C C 2.227 177.158 174.990 -0.098 0.000 1.228 443 C CA -0.329 58.669 59.018 -0.034 0.000 1.402 443 C CB -1.308 26.458 27.740 0.043 0.000 1.728 443 C HN 0.429 nan 8.230 nan 0.000 0.637 444 S N 2.924 118.533 115.700 -0.152 0.000 2.492 444 S HA -0.286 4.240 4.470 0.094 0.000 0.234 444 S C 2.200 176.677 174.600 -0.204 0.000 1.050 444 S CA 2.533 60.635 58.200 -0.163 0.000 1.203 444 S CB -0.214 62.880 63.200 -0.177 0.000 1.161 444 S HN 0.910 nan 8.310 nan 0.000 0.417 445 K N -0.140 120.048 120.400 -0.354 0.000 2.148 445 K HA -0.082 4.294 4.320 0.094 0.000 0.204 445 K C 1.415 177.903 176.600 -0.187 0.000 1.050 445 K CA 1.527 57.615 56.287 -0.332 0.000 0.942 445 K CB -0.542 31.704 32.500 -0.422 0.000 0.724 445 K HN 0.688 nan 8.250 nan 0.000 0.446 446 Y N 0.429 120.692 120.300 -0.062 0.000 2.537 446 Y HA 0.182 4.788 4.550 0.094 0.000 0.303 446 Y C 1.439 177.300 175.900 -0.065 0.000 1.176 446 Y CA -0.891 57.166 58.100 -0.072 0.000 1.273 446 Y CB 0.172 38.596 38.460 -0.061 0.000 1.110 446 Y HN 0.046 nan 8.280 nan 0.000 0.518 447 I N -1.109 119.475 120.570 0.024 0.000 3.526 447 I HA -0.034 4.193 4.170 0.094 0.000 0.294 447 I C 1.557 177.656 176.117 -0.030 0.000 1.229 447 I CA 0.751 62.049 61.300 -0.003 0.000 1.408 447 I CB 0.196 38.182 38.000 -0.023 0.000 1.127 447 I HN -0.029 nan 8.210 nan 0.000 0.439 448 V N 1.383 121.252 119.914 -0.074 0.000 3.129 448 V HA 0.009 4.186 4.120 0.094 0.000 0.259 448 V C 2.512 178.575 176.094 -0.053 0.000 1.116 448 V CA 1.189 63.424 62.300 -0.108 0.000 1.127 448 V CB -1.081 30.527 31.823 -0.359 0.000 0.742 448 V HN 0.379 nan 8.190 nan 0.000 0.474 449 R N -0.029 120.435 120.500 -0.060 0.000 2.080 449 R HA -0.111 4.285 4.340 0.094 0.000 0.222 449 R C 2.396 178.653 176.300 -0.072 0.000 1.107 449 R CA 1.653 57.690 56.100 -0.105 0.000 0.980 449 R CB -0.742 29.459 30.300 -0.165 0.000 0.879 449 R HN 0.525 nan 8.270 nan 0.000 0.439 450 C N 0.578 119.865 119.300 -0.023 0.000 2.425 450 C HA -0.028 4.488 4.460 0.094 0.000 0.277 450 C C 2.575 177.549 174.990 -0.027 0.000 1.280 450 C CA 0.948 59.969 59.018 0.005 0.000 1.744 450 C CB -0.729 27.020 27.740 0.015 0.000 1.989 450 C HN 0.371 nan 8.230 nan 0.000 0.491 451 V N 0.827 120.706 119.914 -0.058 0.000 2.535 451 V HA -0.052 4.125 4.120 0.094 0.000 0.246 451 V C 2.539 178.595 176.094 -0.062 0.000 1.045 451 V CA 1.721 63.941 62.300 -0.133 0.000 1.058 451 V CB -0.647 30.966 31.823 -0.350 0.000 0.689 451 V HN 0.504 nan 8.190 nan 0.000 0.461 452 E N 0.993 121.203 120.200 0.017 0.000 2.274 452 E HA -0.111 4.296 4.350 0.094 0.000 0.194 452 E C 2.351 178.970 176.600 0.031 0.000 0.996 452 E CA 1.318 57.749 56.400 0.052 0.000 0.840 452 E CB -0.324 29.415 29.700 0.065 0.000 0.772 452 E HN 0.740 nan 8.360 nan 0.000 0.491 453 S N -0.052 115.658 115.700 0.017 0.000 2.547 453 S HA 0.102 4.628 4.470 0.094 0.000 0.235 453 S C 1.689 176.302 174.600 0.023 0.000 0.980 453 S CA 0.752 58.980 58.200 0.047 0.000 0.941 453 S CB 0.190 63.460 63.200 0.116 0.000 0.763 453 S HN 0.226 nan 8.310 nan 0.000 0.532 454 A N 0.424 123.247 122.820 0.005 0.000 2.226 454 A HA 0.550 4.926 4.320 0.094 0.000 0.207 454 A C 1.777 179.375 177.584 0.024 0.000 1.293 454 A CA -0.180 51.858 52.037 0.002 0.000 0.968 454 A CB -0.170 18.814 19.000 -0.025 0.000 1.044 454 A HN 0.426 nan 8.150 nan 0.000 0.493 455 L N 0.265 121.502 121.223 0.023 0.000 2.240 455 L HA 0.042 4.438 4.340 0.094 0.000 0.211 455 L C 0.211 177.153 176.870 0.121 0.000 1.106 455 L CA 0.508 55.381 54.840 0.054 0.000 0.793 455 L CB -0.104 41.986 42.059 0.053 0.000 0.927 455 L HN 0.233 nan 8.230 nan 0.000 0.446 456 N N 1.315 120.083 118.700 0.113 0.000 3.234 456 N HA 0.179 4.975 4.740 0.094 0.000 0.272 456 N C -0.614 174.961 175.510 0.109 0.000 1.254 456 N CA 0.153 53.290 53.050 0.145 0.000 1.087 456 N CB 0.711 39.256 38.487 0.096 0.000 1.356 456 N HN 0.230 nan 8.380 nan 0.000 0.511 457 Q N -0.510 119.381 119.800 0.151 0.000 2.451 457 Q HA 0.250 4.646 4.340 0.094 0.000 0.281 457 Q C 1.288 177.380 176.000 0.152 0.000 1.099 457 Q CA -0.429 55.437 55.803 0.105 0.000 0.806 457 Q CB 1.882 30.672 28.738 0.088 0.000 1.419 457 Q HN 0.424 nan 8.270 nan 0.000 0.427 458 T N -2.422 112.184 114.554 0.086 0.000 2.833 458 T HA -0.018 4.388 4.350 0.094 0.000 0.269 458 T C 1.077 175.866 174.700 0.149 0.000 1.054 458 T CA 0.839 63.002 62.100 0.104 0.000 1.135 458 T CB 0.102 68.997 68.868 0.045 0.000 0.869 458 T HN 0.376 nan 8.240 nan 0.000 0.466 459 I N 2.748 123.389 120.570 0.119 0.000 2.269 459 I HA 0.202 4.429 4.170 0.094 0.000 0.293 459 I C 1.547 177.730 176.117 0.110 0.000 1.106 459 I CA -0.121 61.242 61.300 0.104 0.000 1.248 459 I CB 0.136 38.189 38.000 0.087 0.000 1.444 459 I HN 0.260 nan 8.210 nan 0.000 0.497 460 T N 2.791 117.408 114.554 0.106 0.000 3.023 460 T HA -0.112 4.295 4.350 0.094 0.000 0.266 460 T C 1.008 175.742 174.700 0.057 0.000 1.093 460 T CA 0.805 62.950 62.100 0.074 0.000 1.129 460 T CB -0.105 68.775 68.868 0.020 0.000 0.899 460 T HN 0.464 nan 8.240 nan 0.000 0.491 461 D N 2.059 122.495 120.400 0.059 0.000 2.934 461 D HA 0.193 4.890 4.640 0.094 0.000 0.237 461 D C 0.095 176.439 176.300 0.073 0.000 1.158 461 D CA -0.148 53.887 54.000 0.059 0.000 0.971 461 D CB -0.876 39.958 40.800 0.057 0.000 1.123 461 D HN 0.626 nan 8.370 nan 0.000 0.467 462 L N -1.321 119.943 121.223 0.068 0.000 2.397 462 L HA 0.755 5.151 4.340 0.094 0.000 0.251 462 L C -1.335 175.564 176.870 0.049 0.000 1.064 462 L CA -0.962 53.918 54.840 0.066 0.000 0.859 462 L CB 2.055 44.156 42.059 0.070 0.000 1.468 462 L HN -0.030 nan 8.230 nan 0.000 0.411 463 E N 0.160 120.381 120.200 0.035 0.000 2.429 463 E HA 0.706 5.112 4.350 0.094 0.000 0.276 463 E C -1.792 174.799 176.600 -0.014 0.000 0.953 463 E CA -1.060 55.348 56.400 0.013 0.000 0.787 463 E CB 2.586 32.302 29.700 0.027 0.000 1.307 463 E HN 0.454 nan 8.360 nan 0.000 0.458 464 V N 0.829 120.711 119.914 -0.053 0.000 2.444 464 V HA 0.377 4.554 4.120 0.094 0.000 0.294 464 V C -0.766 175.300 176.094 -0.046 0.000 1.022 464 V CA -0.842 61.414 62.300 -0.073 0.000 0.850 464 V CB 1.169 32.892 31.823 -0.167 0.000 0.992 464 V HN 0.860 nan 8.190 nan 0.000 0.426 465 C N 6.533 125.833 119.300 0.000 0.000 2.281 465 C HA 0.698 5.215 4.460 0.094 0.000 0.323 465 C C 0.158 175.185 174.990 0.062 0.000 1.270 465 C CA -0.769 58.271 59.018 0.036 0.000 1.559 465 C CB -0.508 27.252 27.740 0.035 0.000 2.239 465 C HN 0.724 nan 8.230 nan 0.000 0.488 466 I N 1.944 122.566 120.570 0.086 0.000 2.525 466 I HA 0.492 4.719 4.170 0.094 0.000 0.301 466 I C 0.025 176.225 176.117 0.139 0.000 0.992 466 I CA -0.238 61.122 61.300 0.100 0.000 1.162 466 I CB 1.451 39.490 38.000 0.065 0.000 1.332 466 I HN 0.628 nan 8.210 nan 0.000 0.458 467 C N 4.295 123.663 119.300 0.113 0.000 2.386 467 C HA 0.342 4.859 4.460 0.094 0.000 0.318 467 C C -0.214 174.836 174.990 0.100 0.000 1.128 467 C CA -0.674 58.402 59.018 0.097 0.000 1.438 467 C CB -0.469 27.296 27.740 0.042 0.000 1.987 467 C HN 0.844 nan 8.230 nan 0.000 0.426 468 D N 3.339 123.818 120.400 0.132 0.000 2.363 468 D HA 0.069 4.765 4.640 0.094 0.000 0.263 468 D C 0.175 176.518 176.300 0.072 0.000 1.258 468 D CA 0.641 54.714 54.000 0.121 0.000 0.907 468 D CB 0.673 41.564 40.800 0.151 0.000 1.107 468 D HN 0.666 nan 8.370 nan 0.000 0.495 469 D N 3.233 123.659 120.400 0.042 0.000 2.845 469 D HA 0.289 4.985 4.640 0.094 0.000 0.235 469 D C 0.915 177.110 176.300 -0.175 0.000 1.158 469 D CA 0.199 54.145 54.000 -0.091 0.000 0.990 469 D CB -0.735 39.961 40.800 -0.174 0.000 1.094 469 D HN 0.611 nan 8.370 nan 0.000 0.486 470 G N 1.941 110.720 108.800 -0.035 0.000 2.393 470 G HA2 -0.297 3.720 3.960 0.094 0.000 0.299 470 G HA3 -0.297 3.720 3.960 0.094 0.000 0.299 470 G C 0.524 175.508 174.900 0.140 0.000 0.990 470 G CA 0.438 45.543 45.100 0.008 0.000 1.118 470 G HN 0.443 nan 8.290 nan 0.000 0.513 471 S N -0.611 115.242 115.700 0.256 0.000 2.558 471 S HA 0.333 4.859 4.470 0.094 0.000 0.287 471 S C 1.769 176.529 174.600 0.266 0.000 1.321 471 S CA 0.678 59.122 58.200 0.407 0.000 1.048 471 S CB 0.736 64.070 63.200 0.223 0.000 0.844 471 S HN 1.145 nan 8.310 nan 0.000 0.512 472 T N -1.296 113.390 114.554 0.220 0.000 3.145 472 T HA 0.203 4.610 4.350 0.094 0.000 0.255 472 T C -0.165 174.564 174.700 0.049 0.000 1.039 472 T CA -0.416 61.756 62.100 0.120 0.000 0.928 472 T CB -0.320 68.611 68.868 0.104 0.000 1.029 472 T HN 0.671 nan 8.240 nan 0.000 0.554 473 D N 0.165 120.587 120.400 0.037 0.000 2.566 473 D HA 0.157 4.853 4.640 0.094 0.000 0.254 473 D C 0.469 176.777 176.300 0.013 0.000 1.090 473 D CA -0.643 53.359 54.000 0.004 0.000 1.034 473 D CB 0.695 41.471 40.800 -0.040 0.000 1.434 473 D HN 0.056 nan 8.370 nan 0.000 0.509 474 D N -0.221 120.178 120.400 -0.002 0.000 2.369 474 D HA -0.237 4.459 4.640 0.094 0.000 0.213 474 D C 1.041 177.341 176.300 -0.001 0.000 0.982 474 D CA 1.174 55.174 54.000 0.000 0.000 0.931 474 D CB -0.931 39.862 40.800 -0.011 0.000 0.889 474 D HN 0.441 nan 8.370 nan 0.000 0.487 475 T N 1.437 115.988 114.554 -0.005 0.000 2.527 475 T HA -0.287 4.120 4.350 0.094 0.000 0.258 475 T C 1.793 176.482 174.700 -0.017 0.000 1.175 475 T CA 1.984 64.078 62.100 -0.009 0.000 1.168 475 T CB -0.684 68.198 68.868 0.022 0.000 0.860 475 T HN 0.188 nan 8.240 nan 0.000 0.429 476 L N 1.440 122.672 121.223 0.015 0.000 2.043 476 L HA -0.090 4.306 4.340 0.094 0.000 0.212 476 L C 2.486 179.348 176.870 -0.013 0.000 1.075 476 L CA 1.807 56.654 54.840 0.011 0.000 0.752 476 L CB -0.797 41.321 42.059 0.098 0.000 0.891 476 L HN 0.095 nan 8.230 nan 0.000 0.432 477 R N -0.132 120.379 120.500 0.019 0.000 2.091 477 R HA -0.143 4.254 4.340 0.094 0.000 0.238 477 R C 2.159 178.463 176.300 0.007 0.000 1.136 477 R CA 1.668 57.783 56.100 0.024 0.000 0.959 477 R CB -0.534 29.782 30.300 0.026 0.000 0.856 477 R HN 0.410 nan 8.270 nan 0.000 0.437 478 I N 1.158 121.729 120.570 0.002 0.000 2.252 478 I HA -0.242 3.985 4.170 0.094 0.000 0.245 478 I C 2.451 178.592 176.117 0.040 0.000 1.102 478 I CA 0.849 62.180 61.300 0.051 0.000 1.385 478 I CB -1.046 36.965 38.000 0.019 0.000 1.064 478 I HN 0.170 nan 8.210 nan 0.000 0.414 479 L N 0.086 121.241 121.223 -0.113 0.000 2.081 479 L HA -0.277 4.119 4.340 0.094 0.000 0.212 479 L C 2.652 179.340 176.870 -0.303 0.000 1.080 479 L CA 1.481 56.163 54.840 -0.264 0.000 0.754 479 L CB -0.416 41.196 42.059 -0.745 0.000 0.893 479 L HN 0.367 nan 8.230 nan 0.000 0.433 480 Q N -0.025 119.651 119.800 -0.207 0.000 2.020 480 Q HA -0.195 4.202 4.340 0.094 0.000 0.198 480 Q C 1.618 177.646 176.000 0.047 0.000 0.974 480 Q CA 1.444 57.287 55.803 0.067 0.000 0.829 480 Q CB -0.121 28.724 28.738 0.179 0.000 0.894 480 Q HN 0.574 nan 8.270 nan 0.000 0.433 481 E N -0.532 119.662 120.200 -0.011 0.000 2.461 481 E HA -0.134 4.272 4.350 0.094 0.000 0.196 481 E C 0.240 176.665 176.600 -0.292 0.000 1.129 481 E CA 0.623 56.959 56.400 -0.106 0.000 0.902 481 E CB 0.097 29.731 29.700 -0.111 0.000 0.963 481 E HN 0.472 nan 8.360 nan 0.000 0.503 482 H N -1.992 116.945 119.070 -0.222 0.000 2.276 482 H HA 0.175 4.788 4.556 0.094 0.000 0.199 482 H C 0.142 175.076 175.328 -0.657 0.000 0.867 482 H CA 0.323 56.061 56.048 -0.517 0.000 0.948 482 H CB 0.615 29.919 29.762 -0.763 0.000 1.251 482 H HN 0.109 nan 8.280 nan 0.000 0.388 483 Y N -0.747 119.669 120.300 0.193 0.000 2.453 483 Y HA 0.434 5.041 4.550 0.094 0.000 0.247 483 Y C 2.013 178.118 175.900 0.341 0.000 1.124 483 Y CA 0.412 58.666 58.100 0.256 0.000 1.243 483 Y CB 0.314 38.881 38.460 0.178 0.000 1.213 483 Y HN 0.208 nan 8.280 nan 0.000 0.523 484 A N 0.734 123.812 122.820 0.429 0.000 2.148 484 A HA -0.222 4.154 4.320 0.094 0.000 0.222 484 A C 1.473 179.205 177.584 0.247 0.000 1.161 484 A CA 2.138 54.420 52.037 0.408 0.000 0.662 484 A CB -0.400 18.771 19.000 0.285 0.000 0.799 484 A HN 0.486 nan 8.150 nan 0.000 0.466 485 N N -2.003 116.828 118.700 0.217 0.000 2.167 485 N HA 0.024 4.821 4.740 0.094 0.000 0.234 485 N C -0.569 175.035 175.510 0.155 0.000 1.312 485 N CA -0.228 52.906 53.050 0.141 0.000 0.861 485 N CB 0.195 38.723 38.487 0.069 0.000 1.217 485 N HN 0.512 nan 8.380 nan 0.000 0.504 486 H N 4.014 123.192 119.070 0.181 0.000 2.899 486 H HA 0.113 4.726 4.556 0.094 0.000 0.303 486 H C -1.356 174.057 175.328 0.142 0.000 1.042 486 H CA -0.851 55.310 56.048 0.187 0.000 1.479 486 H CB 1.353 31.319 29.762 0.340 0.000 1.493 486 H HN 0.053 nan 8.280 nan 0.000 0.534 487 P HA -0.073 nan 4.420 nan 0.000 0.231 487 P C 0.472 177.940 177.300 0.280 0.000 1.158 487 P CA 0.932 64.155 63.100 0.205 0.000 0.763 487 P CB 0.347 32.098 31.700 0.085 0.000 0.805 488 R N -1.115 119.696 120.500 0.518 0.000 2.509 488 R HA 0.278 4.674 4.340 0.094 0.000 0.297 488 R C -0.142 176.149 176.300 -0.015 0.000 0.951 488 R CA -0.052 56.163 56.100 0.191 0.000 1.103 488 R CB 1.192 31.595 30.300 0.171 0.000 1.283 488 R HN 0.020 nan 8.270 nan 0.000 0.534 489 V N 1.027 120.949 119.914 0.014 0.000 2.769 489 V HA 0.525 4.702 4.120 0.094 0.000 0.312 489 V C -0.375 175.788 176.094 0.115 0.000 1.061 489 V CA -0.924 61.339 62.300 -0.061 0.000 0.931 489 V CB 2.305 33.984 31.823 -0.240 0.000 1.010 489 V HN 0.132 nan 8.190 nan 0.000 0.433 490 R N 3.222 123.786 120.500 0.107 0.000 2.508 490 R HA 0.528 4.924 4.340 0.094 0.000 0.283 490 R C -1.513 174.899 176.300 0.187 0.000 1.120 490 R CA -0.385 55.797 56.100 0.136 0.000 0.958 490 R CB 2.128 32.454 30.300 0.044 0.000 1.215 490 R HN 0.703 nan 8.270 nan 0.000 0.427 491 F N 1.205 121.171 119.950 0.027 0.000 2.585 491 F HA 0.834 5.419 4.527 0.096 0.000 0.350 491 F C -0.409 175.409 175.800 0.030 0.000 1.074 491 F CA -1.664 56.351 58.000 0.025 0.000 1.032 491 F CB 1.156 40.182 39.000 0.043 0.000 1.330 491 F HN 0.364 nan 8.300 nan 0.000 0.495 492 I N 0.742 121.400 120.570 0.145 0.000 2.731 492 I HA 0.317 4.544 4.170 0.094 0.000 0.289 492 I C -1.399 174.788 176.117 0.117 0.000 1.399 492 I CA -0.236 61.083 61.300 0.030 0.000 1.048 492 I CB 2.015 40.012 38.000 -0.005 0.000 1.345 492 I HN 0.835 nan 8.210 nan 0.000 0.425 493 S N 5.886 121.647 115.700 0.102 0.000 2.617 493 S HA 0.731 5.257 4.470 0.094 0.000 0.283 493 S C -1.007 173.624 174.600 0.051 0.000 1.189 493 S CA -0.323 57.940 58.200 0.105 0.000 1.036 493 S CB 1.202 64.477 63.200 0.126 0.000 1.014 493 S HN 0.657 nan 8.310 nan 0.000 0.522 494 Q N 1.568 121.391 119.800 0.037 0.000 2.482 494 Q HA 0.446 4.842 4.340 0.094 0.000 0.286 494 Q C -1.681 174.316 176.000 -0.004 0.000 1.007 494 Q CA -1.296 54.513 55.803 0.011 0.000 0.801 494 Q CB 0.900 29.637 28.738 -0.002 0.000 1.455 494 Q HN 0.639 nan 8.270 nan 0.000 0.398 495 K N 1.028 121.422 120.400 -0.010 0.000 2.368 495 K HA 0.136 4.513 4.320 0.094 0.000 0.282 495 K C -0.318 176.246 176.600 -0.060 0.000 1.035 495 K CA -0.325 55.949 56.287 -0.022 0.000 0.973 495 K CB 0.439 32.933 32.500 -0.011 0.000 0.957 495 K HN 0.646 nan 8.250 nan 0.000 0.474 496 N N 2.389 121.025 118.700 -0.107 0.000 2.132 496 N HA -0.158 4.639 4.740 0.094 0.000 0.280 496 N C -0.331 175.100 175.510 -0.132 0.000 1.318 496 N CA 0.547 53.474 53.050 -0.204 0.000 0.822 496 N CB 0.407 38.700 38.487 -0.323 0.000 1.058 496 N HN 0.655 nan 8.380 nan 0.000 0.489 497 K N 1.853 122.179 120.400 -0.124 0.000 2.520 497 K HA 0.224 4.600 4.320 0.094 0.000 0.206 497 K C 0.027 176.593 176.600 -0.057 0.000 1.122 497 K CA 0.120 56.365 56.287 -0.069 0.000 1.045 497 K CB 0.790 33.263 32.500 -0.045 0.000 0.932 497 K HN 0.845 nan 8.250 nan 0.000 0.571 498 G N 1.327 110.074 108.800 -0.088 0.000 2.592 498 G HA2 -0.218 3.798 3.960 0.094 0.000 0.684 498 G HA3 -0.218 3.798 3.960 0.094 0.000 0.684 498 G C 0.148 175.039 174.900 -0.015 0.000 1.291 498 G CA -0.298 44.780 45.100 -0.036 0.000 0.891 498 G HN 0.088 nan 8.290 nan 0.000 0.544 499 I N 0.237 120.831 120.570 0.040 0.000 2.500 499 I HA 0.266 4.493 4.170 0.094 0.000 0.252 499 I C 2.392 178.540 176.117 0.051 0.000 1.142 499 I CA 2.700 64.041 61.300 0.068 0.000 1.451 499 I CB -0.671 37.409 38.000 0.133 0.000 1.093 499 I HN 1.109 nan 8.210 nan 0.000 0.430 500 G N 0.007 108.851 108.800 0.073 0.000 2.446 500 G HA2 -0.331 3.685 3.960 0.094 0.000 0.217 500 G HA3 -0.331 3.685 3.960 0.094 0.000 0.217 500 G C 1.691 176.615 174.900 0.041 0.000 1.168 500 G CA 1.139 46.308 45.100 0.115 0.000 0.771 500 G HN 0.537 nan 8.290 nan 0.000 0.551 501 S N 1.009 116.710 115.700 0.002 0.000 2.329 501 S HA 0.087 4.613 4.470 0.094 0.000 0.215 501 S C 2.785 177.334 174.600 -0.084 0.000 1.031 501 S CA 1.788 59.973 58.200 -0.025 0.000 0.985 501 S CB -0.798 62.389 63.200 -0.022 0.000 0.917 501 S HN 0.805 nan 8.310 nan 0.000 0.441 502 A N 1.304 124.078 122.820 -0.076 0.000 1.935 502 A HA -0.226 4.151 4.320 0.094 0.000 0.224 502 A C 2.464 179.951 177.584 -0.161 0.000 1.324 502 A CA 2.933 54.924 52.037 -0.077 0.000 0.686 502 A CB -1.763 17.219 19.000 -0.029 0.000 0.837 502 A HN 0.668 nan 8.150 nan 0.000 0.481 503 S N 0.122 115.627 115.700 -0.325 0.000 2.354 503 S HA -0.206 4.320 4.470 0.094 0.000 0.219 503 S C 1.917 176.088 174.600 -0.715 0.000 1.035 503 S CA 1.197 58.943 58.200 -0.757 0.000 1.037 503 S CB -0.663 61.535 63.200 -1.670 0.000 0.956 503 S HN 0.704 nan 8.310 nan 0.000 0.428 504 N N 1.091 119.518 118.700 -0.453 0.000 2.089 504 N HA -0.155 4.642 4.740 0.094 0.000 0.198 504 N C 1.809 177.274 175.510 -0.076 0.000 1.017 504 N CA 1.962 55.003 53.050 -0.015 0.000 0.880 504 N CB -0.943 37.631 38.487 0.145 0.000 1.042 504 N HN 0.400 nan 8.380 nan 0.000 0.446 505 T N 1.175 115.670 114.554 -0.099 0.000 2.684 505 T HA -0.080 4.327 4.350 0.094 0.000 0.267 505 T C 2.014 176.656 174.700 -0.097 0.000 1.036 505 T CA 1.534 63.594 62.100 -0.065 0.000 1.148 505 T CB -0.327 68.515 68.868 -0.044 0.000 0.863 505 T HN 0.414 nan 8.240 nan 0.000 0.436 506 A N 0.815 123.545 122.820 -0.150 0.000 1.898 506 A HA -0.002 4.375 4.320 0.094 0.000 0.216 506 A C 2.588 180.051 177.584 -0.201 0.000 1.181 506 A CA 1.171 53.141 52.037 -0.112 0.000 0.620 506 A CB -0.935 18.057 19.000 -0.013 0.000 0.819 506 A HN 0.345 nan 8.150 nan 0.000 0.442 507 V N 0.056 119.696 119.914 -0.457 0.000 2.343 507 V HA -0.279 3.897 4.120 0.094 0.000 0.247 507 V C 2.584 178.462 176.094 -0.360 0.000 1.051 507 V CA 2.291 64.234 62.300 -0.596 0.000 1.036 507 V CB -0.842 30.289 31.823 -1.153 0.000 0.654 507 V HN 0.523 nan 8.190 nan 0.000 0.451 508 R N -0.583 119.788 120.500 -0.215 0.000 2.152 508 R HA -0.076 4.321 4.340 0.094 0.000 0.232 508 R C 2.227 178.500 176.300 -0.044 0.000 1.117 508 R CA 1.100 57.169 56.100 -0.050 0.000 0.981 508 R CB -0.321 29.997 30.300 0.030 0.000 0.870 508 R HN 0.426 nan 8.270 nan 0.000 0.451 509 L N 0.267 121.452 121.223 -0.063 0.000 2.217 509 L HA -0.059 4.338 4.340 0.094 0.000 0.211 509 L C 0.395 177.249 176.870 -0.027 0.000 1.107 509 L CA 0.169 54.990 54.840 -0.032 0.000 0.783 509 L CB 0.074 42.119 42.059 -0.022 0.000 0.919 509 L HN 0.276 nan 8.230 nan 0.000 0.442 510 C N 0.213 119.479 119.300 -0.055 0.000 2.585 510 C HA 0.121 4.638 4.460 0.094 0.000 0.406 510 C C 1.543 176.516 174.990 -0.029 0.000 1.312 510 C CA -0.617 58.374 59.018 -0.044 0.000 1.924 510 C CB 0.312 28.003 27.740 -0.082 0.000 2.578 510 C HN 0.357 nan 8.230 nan 0.000 0.580 511 R N 1.180 121.683 120.500 0.004 0.000 2.397 511 R HA 0.244 4.641 4.340 0.094 0.000 0.241 511 R C 1.028 177.364 176.300 0.061 0.000 0.914 511 R CA 0.035 56.154 56.100 0.031 0.000 1.071 511 R CB -0.040 30.288 30.300 0.047 0.000 1.116 511 R HN 0.885 nan 8.270 nan 0.000 0.524 512 G N -1.464 107.361 108.800 0.041 0.000 2.477 512 G HA2 0.202 4.218 3.960 0.094 0.000 0.304 512 G HA3 0.202 4.218 3.960 0.094 0.000 0.304 512 G C -0.256 174.676 174.900 0.053 0.000 1.175 512 G CA -0.525 44.624 45.100 0.082 0.000 0.907 512 G HN 0.161 nan 8.290 nan 0.000 0.509 513 F N -0.399 119.511 119.950 -0.067 0.000 2.387 513 F HA 0.338 4.921 4.527 0.093 0.000 0.294 513 F C 0.218 175.698 175.800 -0.534 0.000 1.093 513 F CA 0.039 57.881 58.000 -0.264 0.000 1.420 513 F CB 0.198 39.040 39.000 -0.263 0.000 1.086 513 F HN 0.265 nan 8.300 nan 0.000 0.531 514 Y N 1.585 121.805 120.300 -0.135 0.000 2.353 514 Y HA 0.440 5.047 4.550 0.096 0.000 0.340 514 Y C -0.328 175.373 175.900 -0.332 0.000 0.972 514 Y CA -0.864 57.017 58.100 -0.366 0.000 1.157 514 Y CB 0.549 38.828 38.460 -0.303 0.000 1.157 514 Y HN -0.219 nan 8.280 nan 0.000 0.495 515 I N 3.325 123.647 120.570 -0.414 0.000 2.389 515 I HA 0.581 4.808 4.170 0.094 0.000 0.288 515 I C 0.487 176.257 176.117 -0.579 0.000 0.999 515 I CA -0.531 60.466 61.300 -0.505 0.000 1.129 515 I CB 1.723 39.277 38.000 -0.743 0.000 1.288 515 I HN 0.717 nan 8.210 nan 0.000 0.444 516 G N 4.428 113.108 108.800 -0.200 0.000 2.473 516 G HA2 0.487 4.504 3.960 0.094 0.000 0.321 516 G HA3 0.487 4.504 3.960 0.094 0.000 0.321 516 G C -1.460 173.434 174.900 -0.010 0.000 1.200 516 G CA -0.451 44.618 45.100 -0.051 0.000 0.963 516 G HN 0.550 nan 8.290 nan 0.000 0.483 517 Q N 0.223 120.073 119.800 0.083 0.000 2.256 517 Q HA 0.636 5.032 4.340 0.094 0.000 0.257 517 Q C -1.460 174.600 176.000 0.100 0.000 0.936 517 Q CA -0.659 55.035 55.803 -0.180 0.000 0.903 517 Q CB 1.544 30.357 28.738 0.125 0.000 1.263 517 Q HN 0.450 nan 8.270 nan 0.000 0.440 518 L N 4.444 125.629 121.223 -0.064 0.000 2.568 518 L HA 0.342 4.738 4.340 0.094 0.000 0.262 518 L C -1.292 175.648 176.870 0.116 0.000 0.980 518 L CA -0.688 54.251 54.840 0.165 0.000 0.882 518 L CB 1.603 43.700 42.059 0.063 0.000 1.198 518 L HN 0.765 nan 8.230 nan 0.000 0.425 519 D N 1.479 122.033 120.400 0.257 0.000 2.361 519 D HA 0.050 4.746 4.640 0.094 0.000 0.239 519 D C 1.315 177.693 176.300 0.131 0.000 1.200 519 D CA 0.454 54.577 54.000 0.204 0.000 0.915 519 D CB 1.528 42.495 40.800 0.279 0.000 1.170 519 D HN 0.650 nan 8.370 nan 0.000 0.444 520 S N 0.665 116.443 115.700 0.130 0.000 2.365 520 S HA -0.238 4.288 4.470 0.094 0.000 0.225 520 S C 1.137 175.800 174.600 0.104 0.000 1.039 520 S CA 1.555 59.818 58.200 0.104 0.000 1.033 520 S CB -0.248 63.024 63.200 0.119 0.000 0.887 520 S HN 0.660 nan 8.310 nan 0.000 0.447 521 D N 1.576 122.045 120.400 0.115 0.000 2.323 521 D HA 0.019 4.716 4.640 0.094 0.000 0.209 521 D C 0.072 176.379 176.300 0.013 0.000 0.973 521 D CA 0.351 54.425 54.000 0.124 0.000 0.874 521 D CB -0.390 40.469 40.800 0.099 0.000 0.930 521 D HN 0.355 nan 8.370 nan 0.000 0.521 522 D N 0.670 121.052 120.400 -0.030 0.000 2.403 522 D HA 0.455 5.152 4.640 0.094 0.000 0.278 522 D C 0.341 176.631 176.300 -0.016 0.000 1.230 522 D CA -0.195 53.710 54.000 -0.159 0.000 1.062 522 D CB 0.367 40.906 40.800 -0.435 0.000 1.119 522 D HN 0.257 nan 8.370 nan 0.000 0.557 523 F N -2.613 117.046 119.950 -0.485 0.000 2.765 523 F HA 0.392 4.975 4.527 0.094 0.000 0.313 523 F C -1.973 173.554 175.800 -0.457 0.000 1.136 523 F CA -1.142 56.638 58.000 -0.368 0.000 0.952 523 F CB 0.336 39.196 39.000 -0.233 0.000 1.268 523 F HN 0.102 nan 8.300 nan 0.000 0.441 524 L N 1.622 122.690 121.223 -0.258 0.000 2.569 524 L HA 0.572 4.969 4.340 0.094 0.000 0.247 524 L C -0.088 176.684 176.870 -0.163 0.000 1.135 524 L CA -1.089 53.567 54.840 -0.307 0.000 0.812 524 L CB 0.831 42.739 42.059 -0.252 0.000 1.431 524 L HN 0.585 nan 8.230 nan 0.000 0.499 525 E N 1.073 121.194 120.200 -0.131 0.000 2.179 525 E HA 0.208 4.615 4.350 0.094 0.000 0.275 525 E C -1.823 174.766 176.600 -0.019 0.000 0.945 525 E CA -1.920 54.447 56.400 -0.054 0.000 0.792 525 E CB 1.510 31.180 29.700 -0.051 0.000 1.125 525 E HN 0.268 nan 8.360 nan 0.000 0.397 526 P HA -0.213 nan 4.420 nan 0.000 0.220 526 P C 0.296 177.596 177.300 0.000 0.000 1.144 526 P CA 1.534 64.630 63.100 -0.007 0.000 0.808 526 P CB 0.376 32.058 31.700 -0.030 0.000 0.763 527 D N -2.953 117.453 120.400 0.010 0.000 2.562 527 D HA 0.209 4.905 4.640 0.094 0.000 0.246 527 D C 1.368 177.702 176.300 0.057 0.000 1.347 527 D CA 0.013 54.030 54.000 0.028 0.000 0.800 527 D CB -0.390 40.419 40.800 0.015 0.000 1.111 527 D HN -0.002 nan 8.370 nan 0.000 0.508 528 A N 1.103 123.960 122.820 0.061 0.000 1.849 528 A HA -0.147 4.230 4.320 0.094 0.000 0.217 528 A C 2.255 179.974 177.584 0.225 0.000 1.202 528 A CA 2.338 54.454 52.037 0.131 0.000 0.629 528 A CB -0.975 18.045 19.000 0.033 0.000 0.834 528 A HN 0.117 nan 8.150 nan 0.000 0.447 529 V N 0.152 120.196 119.914 0.216 0.000 2.282 529 V HA -0.317 3.860 4.120 0.094 0.000 0.249 529 V C 2.553 178.739 176.094 0.152 0.000 1.057 529 V CA 2.461 64.904 62.300 0.238 0.000 1.032 529 V CB -0.924 31.005 31.823 0.177 0.000 0.645 529 V HN 0.735 nan 8.190 nan 0.000 0.447 530 E N 0.044 120.307 120.200 0.105 0.000 2.038 530 E HA -0.239 4.167 4.350 0.094 0.000 0.195 530 E C 2.271 178.907 176.600 0.060 0.000 1.000 530 E CA 1.675 58.118 56.400 0.071 0.000 0.803 530 E CB -0.173 29.559 29.700 0.054 0.000 0.750 530 E HN 0.565 nan 8.360 nan 0.000 0.448 531 L N 0.271 121.532 121.223 0.063 0.000 2.043 531 L HA -0.284 4.112 4.340 0.094 0.000 0.212 531 L C 2.796 179.678 176.870 0.019 0.000 1.075 531 L CA 1.176 56.039 54.840 0.038 0.000 0.752 531 L CB -0.414 41.672 42.059 0.045 0.000 0.891 531 L HN 0.399 nan 8.230 nan 0.000 0.432 532 C N -0.864 118.467 119.300 0.052 0.000 2.446 532 C HA -0.111 4.405 4.460 0.094 0.000 0.277 532 C C 2.605 177.621 174.990 0.043 0.000 1.275 532 C CA -0.045 58.968 59.018 -0.008 0.000 1.727 532 C CB -0.680 27.114 27.740 0.090 0.000 2.010 532 C HN 0.395 nan 8.230 nan 0.000 0.486 533 L N 1.189 122.492 121.223 0.134 0.000 2.187 533 L HA -0.145 4.251 4.340 0.094 0.000 0.213 533 L C 2.018 178.920 176.870 0.054 0.000 1.100 533 L CA 1.836 56.738 54.840 0.104 0.000 0.765 533 L CB -0.940 41.122 42.059 0.005 0.000 0.904 533 L HN 0.408 nan 8.230 nan 0.000 0.437 534 D N -0.977 119.433 120.400 0.018 0.000 2.194 534 D HA -0.119 4.577 4.640 0.094 0.000 0.204 534 D C 1.908 178.200 176.300 -0.013 0.000 0.964 534 D CA 0.609 54.610 54.000 0.002 0.000 0.846 534 D CB 0.180 40.975 40.800 -0.007 0.000 0.962 534 D HN 0.343 nan 8.370 nan 0.000 0.490 535 E N 0.210 120.364 120.200 -0.077 0.000 2.152 535 E HA -0.057 4.349 4.350 0.094 0.000 0.192 535 E C 2.018 178.542 176.600 -0.128 0.000 0.983 535 E CA 0.273 56.585 56.400 -0.147 0.000 0.818 535 E CB -0.313 29.228 29.700 -0.266 0.000 0.758 535 E HN 0.392 nan 8.360 nan 0.000 0.467 536 F N 0.794 120.736 119.950 -0.013 0.000 2.206 536 F HA -0.085 4.499 4.527 0.095 0.000 0.298 536 F C 2.449 178.317 175.800 0.113 0.000 1.090 536 F CA 0.617 58.659 58.000 0.070 0.000 1.323 536 F CB 0.011 38.990 39.000 -0.035 0.000 1.028 536 F HN -0.095 nan 8.300 nan 0.000 0.492 537 R N 0.759 121.392 120.500 0.221 0.000 2.120 537 R HA -0.087 4.309 4.340 0.094 0.000 0.234 537 R C 1.883 178.253 176.300 0.115 0.000 1.123 537 R CA 1.133 57.318 56.100 0.143 0.000 0.975 537 R CB -0.426 29.909 30.300 0.058 0.000 0.866 537 R HN 0.217 nan 8.270 nan 0.000 0.446 538 K N -0.516 119.936 120.400 0.087 0.000 2.007 538 K HA -0.064 4.313 4.320 0.094 0.000 0.206 538 K C 0.100 176.756 176.600 0.093 0.000 1.047 538 K CA 1.231 57.556 56.287 0.065 0.000 0.937 538 K CB 0.004 32.522 32.500 0.030 0.000 0.718 538 K HN 0.001 nan 8.250 nan 0.000 0.438 539 D N 0.618 121.086 120.400 0.114 0.000 2.472 539 D HA 0.134 4.830 4.640 0.094 0.000 0.234 539 D C 0.033 176.471 176.300 0.231 0.000 1.088 539 D CA -0.152 53.931 54.000 0.139 0.000 0.882 539 D CB 0.625 41.487 40.800 0.104 0.000 1.037 539 D HN -0.014 nan 8.370 nan 0.000 0.520 540 L N 2.046 123.423 121.223 0.257 0.000 2.737 540 L HA 0.030 4.427 4.340 0.094 0.000 0.246 540 L C 1.277 178.360 176.870 0.355 0.000 1.153 540 L CA 0.278 55.344 54.840 0.378 0.000 0.920 540 L CB -0.189 42.070 42.059 0.335 0.000 1.090 540 L HN 0.238 nan 8.230 nan 0.000 0.430 541 S N -0.911 114.949 115.700 0.265 0.000 2.505 541 S HA 0.173 4.699 4.470 0.094 0.000 0.216 541 S C 0.615 175.349 174.600 0.223 0.000 1.018 541 S CA -0.470 57.856 58.200 0.210 0.000 0.911 541 S CB 0.362 63.641 63.200 0.131 0.000 0.818 541 S HN 0.060 nan 8.310 nan 0.000 0.497 542 L N 2.413 123.793 121.223 0.261 0.000 2.578 542 L HA 0.104 4.501 4.340 0.094 0.000 0.279 542 L C 1.247 178.313 176.870 0.327 0.000 1.227 542 L CA 0.163 55.153 54.840 0.249 0.000 0.900 542 L CB -0.070 42.097 42.059 0.181 0.000 1.144 542 L HN 0.206 nan 8.230 nan 0.000 0.496 543 A N 3.124 126.075 122.820 0.219 0.000 2.063 543 A HA 0.182 4.558 4.320 0.094 0.000 0.211 543 A C 0.725 178.370 177.584 0.101 0.000 1.177 543 A CA 0.509 52.650 52.037 0.173 0.000 0.759 543 A CB 0.233 19.322 19.000 0.150 0.000 0.857 543 A HN 0.666 nan 8.150 nan 0.000 0.468 544 C N -0.657 118.558 119.300 -0.141 0.000 3.239 544 C HA 0.639 5.156 4.460 0.094 0.000 0.329 544 C C -1.798 172.992 174.990 -0.333 0.000 1.252 544 C CA -0.074 58.760 59.018 -0.307 0.000 1.323 544 C CB 1.094 28.144 27.740 -1.149 0.000 1.663 544 C HN 1.071 nan 8.230 nan 0.000 0.487 545 V N 3.792 123.572 119.914 -0.224 0.000 2.655 545 V HA 0.781 4.957 4.120 0.094 0.000 0.301 545 V C -1.249 174.775 176.094 -0.117 0.000 1.082 545 V CA -0.483 61.648 62.300 -0.283 0.000 0.899 545 V CB 0.931 32.402 31.823 -0.587 0.000 1.014 545 V HN 1.205 nan 8.190 nan 0.000 0.429 546 Y N 2.152 122.324 120.300 -0.213 0.000 2.524 546 Y HA 0.959 5.565 4.550 0.094 0.000 0.344 546 Y C 0.491 176.330 175.900 -0.101 0.000 1.012 546 Y CA -0.083 57.883 58.100 -0.223 0.000 1.068 546 Y CB 1.828 40.090 38.460 -0.330 0.000 1.249 546 Y HN 0.912 nan 8.280 nan 0.000 0.468 547 T N -1.274 113.328 114.554 0.081 0.000 2.849 547 T HA 0.632 5.039 4.350 0.094 0.000 0.272 547 T C -0.232 174.620 174.700 0.253 0.000 1.046 547 T CA -0.156 62.048 62.100 0.174 0.000 0.983 547 T CB 1.385 70.383 68.868 0.217 0.000 1.721 547 T HN 0.867 nan 8.240 nan 0.000 0.594 548 T N -0.181 114.546 114.554 0.289 0.000 2.773 548 T HA 0.697 5.104 4.350 0.094 0.000 0.278 548 T C -1.307 173.517 174.700 0.206 0.000 1.011 548 T CA -0.710 61.550 62.100 0.266 0.000 1.014 548 T CB 1.117 70.115 68.868 0.216 0.000 1.293 548 T HN 1.064 nan 8.240 nan 0.000 0.554 549 N N -0.413 118.382 118.700 0.158 0.000 3.157 549 N HA 0.607 5.403 4.740 0.094 0.000 0.291 549 N C -1.603 173.949 175.510 0.070 0.000 1.515 549 N CA -1.135 52.005 53.050 0.150 0.000 0.807 549 N CB 0.951 39.589 38.487 0.250 0.000 1.672 549 N HN 0.776 nan 8.380 nan 0.000 0.592 550 R N -0.535 119.980 120.500 0.024 0.000 2.561 550 R HA 0.511 4.908 4.340 0.094 0.000 0.297 550 R C -1.297 174.992 176.300 -0.017 0.000 0.969 550 R CA -0.841 55.255 56.100 -0.006 0.000 0.879 550 R CB 0.922 31.197 30.300 -0.041 0.000 1.178 550 R HN 0.453 nan 8.270 nan 0.000 0.445 551 N N 4.120 122.824 118.700 0.007 0.000 2.452 551 N HA 0.120 4.917 4.740 0.094 0.000 0.266 551 N C -0.461 175.036 175.510 -0.022 0.000 1.175 551 N CA 0.179 53.233 53.050 0.008 0.000 0.945 551 N CB 0.769 39.276 38.487 0.033 0.000 1.063 551 N HN 0.433 nan 8.380 nan 0.000 0.472 552 I N 0.803 121.345 120.570 -0.046 0.000 2.693 552 I HA 0.172 4.399 4.170 0.094 0.000 0.303 552 I C 0.518 176.600 176.117 -0.058 0.000 1.025 552 I CA -0.896 60.369 61.300 -0.057 0.000 1.086 552 I CB 1.598 39.544 38.000 -0.089 0.000 1.268 552 I HN 0.354 nan 8.210 nan 0.000 0.440 553 D N 4.889 125.258 120.400 -0.051 0.000 2.390 553 D HA 0.036 4.733 4.640 0.094 0.000 0.249 553 D C 1.338 177.565 176.300 -0.121 0.000 1.144 553 D CA -0.245 53.720 54.000 -0.058 0.000 0.880 553 D CB 1.234 42.011 40.800 -0.039 0.000 1.182 553 D HN 0.410 nan 8.370 nan 0.000 0.451 554 R N 4.099 124.515 120.500 -0.139 0.000 2.119 554 R HA -0.246 4.151 4.340 0.094 0.000 0.246 554 R C 1.608 177.676 176.300 -0.387 0.000 1.146 554 R CA 1.411 57.343 56.100 -0.281 0.000 0.962 554 R CB -0.999 29.234 30.300 -0.112 0.000 0.863 554 R HN 0.667 nan 8.270 nan 0.000 0.442 555 E N 0.694 120.789 120.200 -0.175 0.000 2.265 555 E HA -0.130 4.276 4.350 0.094 0.000 0.196 555 E C 0.720 177.237 176.600 -0.138 0.000 0.996 555 E CA 1.382 57.710 56.400 -0.121 0.000 0.832 555 E CB -0.076 29.598 29.700 -0.043 0.000 0.756 555 E HN 0.654 nan 8.360 nan 0.000 0.491 556 G N 0.314 109.040 108.800 -0.123 0.000 2.260 556 G HA2 -0.205 3.811 3.960 0.094 0.000 0.179 556 G HA3 -0.205 3.811 3.960 0.094 0.000 0.179 556 G C -0.265 174.629 174.900 -0.010 0.000 1.002 556 G CA -0.049 45.017 45.100 -0.058 0.000 0.677 556 G HN 0.333 nan 8.290 nan 0.000 0.486 557 N N 0.559 119.243 118.700 -0.026 0.000 2.482 557 N HA 0.468 5.264 4.740 0.094 0.000 0.260 557 N C -0.136 175.367 175.510 -0.011 0.000 1.236 557 N CA -0.452 52.590 53.050 -0.013 0.000 0.938 557 N CB 1.513 39.992 38.487 -0.014 0.000 1.128 557 N HN 0.246 nan 8.380 nan 0.000 0.448 558 L N 2.113 123.333 121.223 -0.006 0.000 2.371 558 L HA 0.326 4.723 4.340 0.094 0.000 0.272 558 L C 0.188 177.055 176.870 -0.004 0.000 1.124 558 L CA 0.286 55.121 54.840 -0.008 0.000 0.816 558 L CB 0.591 42.646 42.059 -0.006 0.000 1.129 558 L HN 0.762 nan 8.230 nan 0.000 0.448 559 I N 1.487 122.056 120.570 -0.002 0.000 4.014 559 I HA 0.516 4.742 4.170 0.094 0.000 0.339 559 I C -0.301 175.823 176.117 0.012 0.000 1.357 559 I CA 0.415 61.718 61.300 0.005 0.000 1.070 559 I CB -0.080 37.924 38.000 0.006 0.000 1.809 559 I HN 0.704 nan 8.210 nan 0.000 0.664 560 S N 0.508 116.214 115.700 0.011 0.000 2.703 560 S HA 0.358 4.885 4.470 0.094 0.000 0.270 560 S C -2.104 172.507 174.600 0.017 0.000 0.972 560 S CA -0.679 57.533 58.200 0.019 0.000 0.949 560 S CB 0.431 63.650 63.200 0.031 0.000 1.209 560 S HN 0.345 nan 8.310 nan 0.000 0.464 561 N N 0.604 119.319 118.700 0.025 0.000 2.284 561 N HA 0.632 5.428 4.740 0.094 0.000 0.300 561 N C 0.107 175.641 175.510 0.041 0.000 1.047 561 N CA 0.319 53.382 53.050 0.023 0.000 0.821 561 N CB 1.683 40.178 38.487 0.013 0.000 1.337 561 N HN 0.882 nan 8.380 nan 0.000 0.482 562 G N 0.526 109.353 108.800 0.044 0.000 2.554 562 G HA2 0.041 4.058 3.960 0.094 0.000 0.238 562 G HA3 0.041 4.058 3.960 0.094 0.000 0.238 562 G C -0.473 174.450 174.900 0.039 0.000 1.259 562 G CA -0.040 45.100 45.100 0.068 0.000 0.843 562 G HN 0.535 nan 8.290 nan 0.000 0.582 563 Y N 1.296 121.558 120.300 -0.063 0.000 2.810 563 Y HA 0.060 4.666 4.550 0.094 0.000 0.332 563 Y C 0.324 175.973 175.900 -0.418 0.000 1.243 563 Y CA 0.064 58.108 58.100 -0.094 0.000 1.537 563 Y CB 0.514 38.985 38.460 0.018 0.000 1.265 563 Y HN 0.492 nan 8.280 nan 0.000 0.572 564 N N 7.719 126.013 118.700 -0.678 0.000 2.690 564 N HA 0.049 4.846 4.740 0.094 0.000 0.255 564 N C -1.772 173.602 175.510 -0.228 0.000 1.195 564 N CA -0.588 52.083 53.050 -0.631 0.000 0.790 564 N CB 0.047 38.409 38.487 -0.209 0.000 1.216 564 N HN 0.730 nan 8.380 nan 0.000 0.528 565 W N 5.850 127.129 121.300 -0.035 0.000 2.546 565 W HA 0.264 4.981 4.660 0.094 0.000 0.323 565 W C -1.830 174.873 176.519 0.307 0.000 1.272 565 W CA -1.692 55.703 57.345 0.083 0.000 1.404 565 W CB 0.749 30.275 29.460 0.109 0.000 1.411 565 W HN 0.498 nan 8.180 nan 0.000 0.480 566 P HA -0.257 nan 4.420 nan 0.000 0.222 566 P C 0.232 177.456 177.300 -0.127 0.000 1.159 566 P CA 1.993 64.930 63.100 -0.271 0.000 0.920 566 P CB 0.199 31.641 31.700 -0.430 0.000 0.793 567 I N -3.971 116.589 120.570 -0.016 0.000 2.689 567 I HA 0.230 4.457 4.170 0.094 0.000 0.299 567 I C -0.417 175.987 176.117 0.478 0.000 1.059 567 I CA -1.679 59.732 61.300 0.185 0.000 1.055 567 I CB 1.354 39.397 38.000 0.072 0.000 1.243 567 I HN -0.136 nan 8.210 nan 0.000 0.425 568 Y N 4.612 125.090 120.300 0.297 0.000 2.352 568 Y HA 0.604 5.211 4.550 0.094 0.000 0.326 568 Y C 0.052 176.041 175.900 0.148 0.000 1.166 568 Y CA -0.223 58.056 58.100 0.299 0.000 1.182 568 Y CB 1.357 40.027 38.460 0.350 0.000 1.216 568 Y HN 0.642 nan 8.280 nan 0.000 0.474 569 S N 4.807 119.827 115.700 -1.134 0.000 2.543 569 S HA 0.418 4.945 4.470 0.094 0.000 0.274 569 S C -0.179 173.732 174.600 -1.149 0.000 1.149 569 S CA -1.044 56.577 58.200 -0.966 0.000 0.866 569 S CB 1.771 64.716 63.200 -0.424 0.000 1.111 569 S HN 0.885 nan 8.310 nan 0.000 0.457 570 R N 0.908 120.944 120.500 -0.773 0.000 2.073 570 R HA -0.068 4.328 4.340 0.094 0.000 0.234 570 R C 1.550 177.599 176.300 -0.418 0.000 1.134 570 R CA 2.024 57.838 56.100 -0.476 0.000 0.952 570 R CB -0.472 29.676 30.300 -0.253 0.000 0.850 570 R HN 0.720 nan 8.270 nan 0.000 0.433 571 E N 0.799 120.638 120.200 -0.602 0.000 2.070 571 E HA -0.239 4.168 4.350 0.094 0.000 0.197 571 E C 1.790 178.122 176.600 -0.447 0.000 1.004 571 E CA 1.433 57.267 56.400 -0.943 0.000 0.805 571 E CB -0.092 28.716 29.700 -1.486 0.000 0.744 571 E HN 0.019 nan 8.360 nan 0.000 0.451 572 K N 0.158 120.317 120.400 -0.401 0.000 2.147 572 K HA -0.084 4.292 4.320 0.094 0.000 0.205 572 K C 1.831 178.301 176.600 -0.218 0.000 1.049 572 K CA 0.611 56.710 56.287 -0.313 0.000 0.936 572 K CB -0.326 31.903 32.500 -0.452 0.000 0.722 572 K HN 0.124 nan 8.250 nan 0.000 0.446 573 L N 0.523 121.627 121.223 -0.199 0.000 2.044 573 L HA -0.090 4.307 4.340 0.094 0.000 0.205 573 L C 1.747 178.655 176.870 0.063 0.000 1.075 573 L CA 2.255 57.071 54.840 -0.041 0.000 0.747 573 L CB -0.953 41.092 42.059 -0.023 0.000 0.903 573 L HN 0.410 nan 8.230 nan 0.000 0.435 574 T N -4.217 110.359 114.554 0.036 0.000 3.227 574 T HA 0.022 4.428 4.350 0.094 0.000 0.257 574 T C 1.426 176.187 174.700 0.101 0.000 1.162 574 T CA 0.970 63.109 62.100 0.065 0.000 1.051 574 T CB -0.259 68.768 68.868 0.265 0.000 0.953 574 T HN 0.298 nan 8.240 nan 0.000 0.535 575 S N 0.318 116.097 115.700 0.131 0.000 2.613 575 S HA 0.699 5.226 4.470 0.094 0.000 0.235 575 S C 0.633 175.248 174.600 0.024 0.000 1.073 575 S CA 0.018 58.255 58.200 0.061 0.000 0.899 575 S CB 0.630 63.968 63.200 0.229 0.000 0.818 575 S HN 0.846 nan 8.310 nan 0.000 0.484 576 A N 1.081 123.941 122.820 0.067 0.000 2.589 576 A HA 0.695 5.072 4.320 0.094 0.000 0.296 576 A C -1.025 176.497 177.584 -0.104 0.000 1.062 576 A CA -0.710 51.363 52.037 0.060 0.000 0.686 576 A CB 0.752 19.771 19.000 0.031 0.000 1.282 576 A HN 0.144 nan 8.150 nan 0.000 0.404 577 M N 3.493 122.845 119.600 -0.413 0.000 2.685 577 M HA 0.270 4.806 4.480 0.094 0.000 0.316 577 M C 0.126 176.321 176.300 -0.175 0.000 1.523 577 M CA -0.260 54.640 55.300 -0.666 0.000 1.472 577 M CB -1.050 30.900 32.600 -1.084 0.000 1.525 577 M HN 0.566 nan 8.290 nan 0.000 0.471 578 I N 0.210 120.696 120.570 -0.139 0.000 3.956 578 I HA 0.276 4.502 4.170 0.094 0.000 0.333 578 I C 0.117 175.841 176.117 -0.656 0.000 1.302 578 I CA -0.318 60.900 61.300 -0.138 0.000 1.122 578 I CB -0.375 37.574 38.000 -0.085 0.000 1.013 578 I HN 0.444 nan 8.210 nan 0.000 0.405 579 C N 3.975 122.871 119.300 -0.675 0.000 2.756 579 C HA 0.237 4.754 4.460 0.094 0.000 0.504 579 C C 1.001 175.496 174.990 -0.824 0.000 1.028 579 C CA -0.404 57.874 59.018 -1.234 0.000 1.167 579 C CB -2.140 25.038 27.740 -0.937 0.000 1.444 579 C HN 0.406 nan 8.230 nan 0.000 0.577 580 H N 0.900 119.784 119.070 -0.310 0.000 2.942 580 H HA -0.021 4.592 4.556 0.094 0.000 0.384 580 H C 0.688 175.937 175.328 -0.132 0.000 1.438 580 H CA 0.792 56.807 56.048 -0.056 0.000 1.453 580 H CB 0.320 30.143 29.762 0.102 0.000 1.451 580 H HN 0.518 nan 8.280 nan 0.000 0.604 581 H N 0.486 119.537 119.070 -0.031 0.000 2.604 581 H HA 0.186 4.799 4.556 0.094 0.000 0.306 581 H C -0.824 174.371 175.328 -0.222 0.000 1.075 581 H CA -0.092 55.782 56.048 -0.289 0.000 1.357 581 H CB 0.131 29.583 29.762 -0.516 0.000 1.426 581 H HN 0.286 nan 8.280 nan 0.000 0.470 582 F N 4.409 124.293 119.950 -0.110 0.000 2.605 582 F HA 0.382 4.965 4.527 0.094 0.000 0.320 582 F C -1.586 174.205 175.800 -0.015 0.000 1.159 582 F CA -0.870 57.055 58.000 -0.124 0.000 0.999 582 F CB 0.922 39.963 39.000 0.068 0.000 1.258 582 F HN 0.398 nan 8.300 nan 0.000 0.464 583 R N 5.151 125.420 120.500 -0.385 0.000 2.803 583 R HA 0.861 5.257 4.340 0.094 0.000 0.276 583 R C -1.280 174.907 176.300 -0.189 0.000 0.978 583 R CA -0.850 55.118 56.100 -0.220 0.000 0.939 583 R CB 2.330 32.523 30.300 -0.179 0.000 1.179 583 R HN 0.779 nan 8.270 nan 0.000 0.472 584 M N 2.992 122.619 119.600 0.045 0.000 2.277 584 M HA 0.443 4.980 4.480 0.094 0.000 0.282 584 M C -1.724 174.801 176.300 0.376 0.000 1.074 584 M CA -0.566 54.801 55.300 0.112 0.000 0.954 584 M CB 1.814 34.508 32.600 0.157 0.000 1.672 584 M HN 0.600 nan 8.290 nan 0.000 0.471 585 F N -0.780 119.266 119.950 0.159 0.000 2.588 585 F HA 0.713 5.296 4.527 0.093 0.000 0.314 585 F C -0.129 175.582 175.800 -0.149 0.000 1.069 585 F CA -1.093 56.944 58.000 0.062 0.000 0.931 585 F CB 0.969 39.963 39.000 -0.010 0.000 1.260 585 F HN 0.272 nan 8.300 nan 0.000 0.465 586 T N 2.098 116.613 114.554 -0.065 0.000 2.853 586 T HA 0.300 4.707 4.350 0.094 0.000 0.298 586 T C 1.280 175.700 174.700 -0.467 0.000 0.978 586 T CA 0.608 62.363 62.100 -0.574 0.000 1.152 586 T CB 1.091 69.778 68.868 -0.300 0.000 0.914 586 T HN 0.871 nan 8.240 nan 0.000 0.539 587 A N 4.903 127.223 122.820 -0.833 0.000 1.948 587 A HA -0.170 4.206 4.320 0.094 0.000 0.220 587 A C 2.313 179.787 177.584 -0.183 0.000 1.177 587 A CA 1.809 53.628 52.037 -0.363 0.000 0.636 587 A CB -0.473 18.280 19.000 -0.411 0.000 0.815 587 A HN 0.864 nan 8.150 nan 0.000 0.449 588 R N -0.383 119.887 120.500 -0.383 0.000 2.091 588 R HA -0.136 4.261 4.340 0.094 0.000 0.238 588 R C 2.293 178.509 176.300 -0.139 0.000 1.136 588 R CA 1.583 57.533 56.100 -0.250 0.000 0.959 588 R CB -0.455 29.608 30.300 -0.395 0.000 0.856 588 R HN 0.444 nan 8.270 nan 0.000 0.437 589 A N 0.248 123.010 122.820 -0.096 0.000 1.877 589 A HA -0.219 4.158 4.320 0.094 0.000 0.216 589 A C 1.911 179.515 177.584 0.032 0.000 1.186 589 A CA 1.355 53.392 52.037 -0.000 0.000 0.620 589 A CB -1.141 17.887 19.000 0.047 0.000 0.822 589 A HN 0.718 nan 8.150 nan 0.000 0.443 590 W N 1.543 122.791 121.300 -0.088 0.000 2.338 590 W HA -0.173 4.542 4.660 0.092 0.000 0.304 590 W C 1.751 178.202 176.519 -0.112 0.000 1.212 590 W CA 1.909 59.173 57.345 -0.134 0.000 1.264 590 W CB -0.205 29.269 29.460 0.023 0.000 1.142 590 W HN 0.359 nan 8.180 nan 0.000 0.512 591 N N 0.158 118.890 118.700 0.053 0.000 2.381 591 N HA -0.104 4.693 4.740 0.094 0.000 0.182 591 N C 1.503 176.934 175.510 -0.132 0.000 1.025 591 N CA 1.272 54.277 53.050 -0.075 0.000 0.888 591 N CB -0.611 37.895 38.487 0.032 0.000 0.965 591 N HN 0.283 nan 8.380 nan 0.000 0.438 592 L N 0.876 122.044 121.223 -0.093 0.000 2.627 592 L HA 0.059 4.455 4.340 0.094 0.000 0.233 592 L C 0.838 177.642 176.870 -0.110 0.000 1.144 592 L CA 0.222 55.046 54.840 -0.028 0.000 0.892 592 L CB -0.618 41.489 42.059 0.079 0.000 1.039 592 L HN 0.146 nan 8.230 nan 0.000 0.442 593 T N -5.494 108.889 114.554 -0.287 0.000 2.926 593 T HA 0.250 4.656 4.350 0.094 0.000 0.289 593 T C 0.617 175.045 174.700 -0.454 0.000 1.054 593 T CA -0.756 61.128 62.100 -0.360 0.000 1.015 593 T CB 1.809 70.402 68.868 -0.459 0.000 1.167 593 T HN 0.019 nan 8.240 nan 0.000 0.526 594 E N 0.305 120.277 120.200 -0.381 0.000 2.512 594 E HA 0.302 4.708 4.350 0.094 0.000 0.195 594 E C 1.185 177.535 176.600 -0.416 0.000 1.083 594 E CA 0.292 56.489 56.400 -0.338 0.000 0.873 594 E CB -0.553 29.006 29.700 -0.235 0.000 0.897 594 E HN 1.004 nan 8.360 nan 0.000 0.514 595 G N 0.979 109.375 108.800 -0.673 0.000 2.741 595 G HA2 -0.302 3.714 3.960 0.094 0.000 0.222 595 G HA3 -0.302 3.714 3.960 0.094 0.000 0.222 595 G C -0.353 174.362 174.900 -0.308 0.000 1.364 595 G CA -0.720 43.965 45.100 -0.691 0.000 0.866 595 G HN 0.159 nan 8.290 nan 0.000 0.555 596 F N 1.000 120.927 119.950 -0.039 0.000 2.553 596 F HA 0.297 4.879 4.527 0.093 0.000 0.356 596 F C 1.301 177.062 175.800 -0.065 0.000 1.142 596 F CA 0.138 58.131 58.000 -0.012 0.000 1.322 596 F CB 0.611 39.651 39.000 0.068 0.000 1.126 596 F HN 0.462 nan 8.300 nan 0.000 0.599 597 N N 2.451 121.191 118.700 0.067 0.000 2.406 597 N HA 0.057 4.853 4.740 0.094 0.000 0.251 597 N C -0.347 175.186 175.510 0.039 0.000 1.069 597 N CA -0.007 53.040 53.050 -0.005 0.000 0.947 597 N CB 0.500 38.944 38.487 -0.073 0.000 1.111 597 N HN 0.640 nan 8.380 nan 0.000 0.497 598 E N 1.004 121.216 120.200 0.021 0.000 2.370 598 E HA 0.065 4.471 4.350 0.094 0.000 0.194 598 E C 0.157 176.752 176.600 -0.008 0.000 1.057 598 E CA -0.087 56.325 56.400 0.020 0.000 1.011 598 E CB 0.160 29.872 29.700 0.021 0.000 1.132 598 E HN 0.556 nan 8.360 nan 0.000 0.450 599 S N 0.115 115.794 115.700 -0.035 0.000 2.937 599 S HA 0.230 4.757 4.470 0.094 0.000 0.252 599 S C 0.320 174.869 174.600 -0.085 0.000 1.022 599 S CA -0.697 57.479 58.200 -0.040 0.000 1.079 599 S CB -0.465 62.714 63.200 -0.036 0.000 1.035 599 S HN 0.292 nan 8.310 nan 0.000 0.594 600 I N -1.578 118.907 120.570 -0.141 0.000 2.545 600 I HA 0.613 4.839 4.170 0.094 0.000 0.292 600 I C 0.697 176.749 176.117 -0.108 0.000 1.040 600 I CA -0.994 60.097 61.300 -0.348 0.000 1.068 600 I CB 1.955 39.540 38.000 -0.691 0.000 1.251 600 I HN -0.101 nan 8.210 nan 0.000 0.424 601 S N 4.029 119.799 115.700 0.118 0.000 2.400 601 S HA -0.140 4.386 4.470 0.094 0.000 0.232 601 S C 0.396 175.111 174.600 0.191 0.000 1.025 601 S CA 1.793 60.125 58.200 0.220 0.000 0.993 601 S CB -0.851 62.541 63.200 0.320 0.000 0.808 601 S HN 0.950 nan 8.310 nan 0.000 0.478 602 N N -2.072 116.763 118.700 0.225 0.000 3.364 602 N HA 0.581 5.377 4.740 0.094 0.000 0.294 602 N C -0.391 175.216 175.510 0.161 0.000 1.562 602 N CA -0.427 52.747 53.050 0.206 0.000 0.862 602 N CB 0.298 38.928 38.487 0.238 0.000 1.691 602 N HN 0.201 nan 8.380 nan 0.000 0.572 603 A N -1.859 121.061 122.820 0.167 0.000 2.945 603 A HA -0.164 4.213 4.320 0.094 0.000 0.251 603 A C 0.956 178.583 177.584 0.072 0.000 1.355 603 A CA 0.994 53.103 52.037 0.121 0.000 0.905 603 A CB -2.546 16.525 19.000 0.119 0.000 1.104 603 A HN 0.698 nan 8.150 nan 0.000 0.733 604 V N 1.263 121.242 119.914 0.109 0.000 2.307 604 V HA -0.265 3.912 4.120 0.094 0.000 0.245 604 V C 2.657 178.835 176.094 0.139 0.000 1.045 604 V CA 2.425 64.800 62.300 0.125 0.000 1.024 604 V CB -0.645 31.306 31.823 0.215 0.000 0.651 604 V HN 0.928 nan 8.190 nan 0.000 0.449 605 D N -0.245 120.280 120.400 0.209 0.000 2.092 605 D HA -0.314 4.383 4.640 0.094 0.000 0.193 605 D C 2.196 178.677 176.300 0.301 0.000 0.994 605 D CA 1.889 56.062 54.000 0.288 0.000 0.828 605 D CB -0.784 40.136 40.800 0.201 0.000 0.963 605 D HN 0.418 nan 8.370 nan 0.000 0.450 606 Y N 1.998 122.298 120.300 -0.000 0.000 2.114 606 Y HA -0.208 4.399 4.550 0.095 0.000 0.282 606 Y C 2.102 177.927 175.900 -0.125 0.000 1.165 606 Y CA 1.832 59.869 58.100 -0.105 0.000 1.148 606 Y CB -0.994 37.288 38.460 -0.295 0.000 0.972 606 Y HN 0.081 nan 8.280 nan 0.000 0.504 607 D N -0.690 119.636 120.400 -0.123 0.000 2.087 607 D HA -0.267 4.429 4.640 0.094 0.000 0.192 607 D C 2.318 178.450 176.300 -0.280 0.000 0.993 607 D CA 1.876 55.721 54.000 -0.259 0.000 0.828 607 D CB -0.387 40.288 40.800 -0.209 0.000 0.968 607 D HN 0.263 nan 8.370 nan 0.000 0.448 608 M N -0.539 118.856 119.600 -0.341 0.000 2.088 608 M HA -0.222 4.314 4.480 0.094 0.000 0.256 608 M C 1.665 177.615 176.300 -0.583 0.000 1.071 608 M CA 1.718 56.642 55.300 -0.627 0.000 1.097 608 M CB -0.947 31.065 32.600 -0.980 0.000 1.315 608 M HN 0.252 nan 8.290 nan 0.000 0.406 609 Y N -1.030 119.158 120.300 -0.187 0.000 2.509 609 Y HA -0.040 4.568 4.550 0.095 0.000 0.293 609 Y C 1.983 177.892 175.900 0.014 0.000 1.133 609 Y CA 0.804 58.879 58.100 -0.042 0.000 1.283 609 Y CB -0.506 37.948 38.460 -0.011 0.000 1.001 609 Y HN 0.295 nan 8.280 nan 0.000 0.555 610 L N 0.226 121.425 121.223 -0.040 0.000 2.162 610 L HA -0.044 4.352 4.340 0.094 0.000 0.205 610 L C 1.963 178.766 176.870 -0.112 0.000 1.086 610 L CA 1.575 56.332 54.840 -0.138 0.000 0.778 610 L CB -0.425 41.403 42.059 -0.384 0.000 0.928 610 L HN -0.050 nan 8.230 nan 0.000 0.446 611 K N -0.859 119.442 120.400 -0.165 0.000 2.097 611 K HA -0.173 4.204 4.320 0.094 0.000 0.206 611 K C 2.039 178.600 176.600 -0.066 0.000 1.049 611 K CA 1.427 57.619 56.287 -0.159 0.000 0.933 611 K CB -0.291 32.048 32.500 -0.267 0.000 0.717 611 K HN 0.189 nan 8.250 nan 0.000 0.442 612 L N 1.201 122.412 121.223 -0.019 0.000 2.046 612 L HA -0.199 4.197 4.340 0.094 0.000 0.208 612 L C 2.432 179.546 176.870 0.407 0.000 1.077 612 L CA 1.667 56.607 54.840 0.168 0.000 0.747 612 L CB -0.531 41.636 42.059 0.180 0.000 0.896 612 L HN 0.211 nan 8.230 nan 0.000 0.432 613 S N -1.270 114.591 115.700 0.268 0.000 2.440 613 S HA -0.229 4.297 4.470 0.094 0.000 0.238 613 S C 1.680 176.313 174.600 0.055 0.000 1.010 613 S CA 1.402 59.531 58.200 -0.118 0.000 0.972 613 S CB -0.563 62.466 63.200 -0.285 0.000 0.774 613 S HN 0.584 nan 8.310 nan 0.000 0.501 614 E N 0.592 120.857 120.200 0.108 0.000 2.285 614 E HA 0.043 4.449 4.350 0.094 0.000 0.194 614 E C 1.863 178.657 176.600 0.325 0.000 0.997 614 E CA 0.741 57.250 56.400 0.181 0.000 0.845 614 E CB -0.085 29.691 29.700 0.127 0.000 0.782 614 E HN 0.450 nan 8.360 nan 0.000 0.491 615 V N 0.169 120.240 119.914 0.261 0.000 2.446 615 V HA 0.094 4.270 4.120 0.094 0.000 0.244 615 V C 1.085 177.206 176.094 0.045 0.000 1.039 615 V CA 1.273 63.728 62.300 0.258 0.000 1.045 615 V CB 0.219 32.157 31.823 0.192 0.000 0.681 615 V HN 0.309 nan 8.190 nan 0.000 0.459 616 G N -0.603 108.287 108.800 0.149 0.000 2.606 616 G HA2 0.518 4.534 3.960 0.094 0.000 0.300 616 G HA3 0.518 4.534 3.960 0.094 0.000 0.300 616 G C -3.278 171.792 174.900 0.283 0.000 1.360 616 G CA -0.779 44.386 45.100 0.108 0.000 0.783 616 G HN -0.017 nan 8.290 nan 0.000 0.484 617 P HA 0.538 nan 4.420 nan 0.000 0.276 617 P C -1.212 176.419 177.300 0.550 0.000 1.244 617 P CA -0.170 63.136 63.100 0.343 0.000 0.801 617 P CB 1.180 33.006 31.700 0.210 0.000 1.006 618 F N 0.436 120.347 119.950 -0.064 0.000 2.594 618 F HA 0.650 5.234 4.527 0.094 0.000 0.335 618 F C 0.709 176.418 175.800 -0.152 0.000 1.058 618 F CA -1.108 56.710 58.000 -0.304 0.000 0.981 618 F CB 1.254 39.640 39.000 -1.024 0.000 1.289 618 F HN 0.182 nan 8.300 nan 0.000 0.490 619 K N 0.470 120.867 120.400 -0.004 0.000 2.535 619 K HA 0.278 4.655 4.320 0.094 0.000 0.250 619 K C -1.806 174.673 176.600 -0.202 0.000 0.948 619 K CA -0.416 55.840 56.287 -0.052 0.000 0.796 619 K CB 1.091 33.526 32.500 -0.109 0.000 1.216 619 K HN 0.770 nan 8.250 nan 0.000 0.432 620 H N 5.030 123.884 119.070 -0.359 0.000 2.459 620 H HA 0.515 5.127 4.556 0.094 0.000 0.332 620 H C -0.666 174.465 175.328 -0.327 0.000 1.094 620 H CA -0.963 54.701 56.048 -0.641 0.000 1.224 620 H CB 0.923 30.239 29.762 -0.744 0.000 1.449 620 H HN 0.527 nan 8.280 nan 0.000 0.484 621 I N 4.460 125.064 120.570 0.057 0.000 2.359 621 I HA 0.047 4.274 4.170 0.094 0.000 0.294 621 I C 0.096 176.155 176.117 -0.097 0.000 0.987 621 I CA -0.735 60.526 61.300 -0.065 0.000 1.225 621 I CB 1.281 39.271 38.000 -0.017 0.000 1.366 621 I HN 0.661 nan 8.210 nan 0.000 0.466 622 N N 7.326 125.880 118.700 -0.243 0.000 3.324 622 N HA 0.228 5.024 4.740 0.094 0.000 0.302 622 N C -0.677 174.805 175.510 -0.046 0.000 1.360 622 N CA 0.024 52.955 53.050 -0.199 0.000 1.190 622 N CB 0.423 38.746 38.487 -0.274 0.000 1.462 622 N HN 0.504 nan 8.380 nan 0.000 0.532 623 K N 0.361 120.780 120.400 0.033 0.000 2.482 623 K HA 0.501 4.877 4.320 0.094 0.000 0.257 623 K C -0.311 176.334 176.600 0.074 0.000 0.969 623 K CA -0.734 55.573 56.287 0.034 0.000 0.842 623 K CB 2.405 34.919 32.500 0.023 0.000 1.359 623 K HN 0.034 nan 8.250 nan 0.000 0.441 624 I N 2.125 122.724 120.570 0.049 0.000 2.291 624 I HA 0.075 4.302 4.170 0.094 0.000 0.292 624 I C 0.301 176.447 176.117 0.048 0.000 1.064 624 I CA -0.279 61.054 61.300 0.054 0.000 1.269 624 I CB 0.327 38.338 38.000 0.019 0.000 1.418 624 I HN 0.678 nan 8.210 nan 0.000 0.485 625 C N 5.294 124.652 119.300 0.095 0.000 3.491 625 C HA 0.197 4.713 4.460 0.094 0.000 0.298 625 C C 0.205 175.233 174.990 0.063 0.000 1.424 625 C CA -0.432 58.634 59.018 0.080 0.000 1.772 625 C CB -0.905 26.932 27.740 0.161 0.000 2.447 625 C HN 0.608 nan 8.230 nan 0.000 0.670 626 Y N 2.598 122.846 120.300 -0.087 0.000 2.338 626 Y HA 0.458 5.065 4.550 0.094 0.000 0.333 626 Y C -0.665 175.072 175.900 -0.271 0.000 0.968 626 Y CA -0.541 57.451 58.100 -0.179 0.000 1.123 626 Y CB 0.576 39.011 38.460 -0.043 0.000 1.165 626 Y HN 0.136 nan 8.280 nan 0.000 0.452 627 N N 6.223 124.460 118.700 -0.771 0.000 2.439 627 N HA 0.255 5.052 4.740 0.094 0.000 0.249 627 N C -0.972 174.085 175.510 -0.755 0.000 1.003 627 N CA -0.368 52.209 53.050 -0.789 0.000 0.942 627 N CB 1.420 39.022 38.487 -1.476 0.000 1.115 627 N HN 0.615 nan 8.380 nan 0.000 0.505 628 R N 2.319 122.607 120.500 -0.353 0.000 2.437 628 R HA 0.347 4.743 4.340 0.094 0.000 0.310 628 R C -0.637 175.579 176.300 -0.141 0.000 0.955 628 R CA -0.556 55.415 56.100 -0.214 0.000 0.851 628 R CB 0.969 31.273 30.300 0.008 0.000 1.161 628 R HN 0.127 nan 8.270 nan 0.000 0.446 629 V N 5.283 125.090 119.914 -0.177 0.000 2.872 629 V HA -0.064 4.112 4.120 0.094 0.000 0.307 629 V C 1.097 177.132 176.094 -0.098 0.000 1.072 629 V CA 0.077 62.260 62.300 -0.195 0.000 1.148 629 V CB 1.092 32.710 31.823 -0.343 0.000 0.954 629 V HN 0.734 nan 8.190 nan 0.000 0.490 630 L N 4.934 126.143 121.223 -0.023 0.000 2.592 630 L HA 0.212 4.609 4.340 0.094 0.000 0.227 630 L C 1.297 178.296 176.870 0.217 0.000 1.127 630 L CA 0.528 55.424 54.840 0.094 0.000 0.884 630 L CB -1.335 40.760 42.059 0.061 0.000 1.065 630 L HN 0.912 nan 8.230 nan 0.000 0.457 637 I N 2.909 123.485 120.570 0.010 0.000 2.471 637 I HA 0.100 4.326 4.170 0.094 0.000 0.294 637 I C 1.475 177.595 176.117 0.006 0.000 1.123 637 I CA -0.026 61.279 61.300 0.009 0.000 1.336 637 I CB 0.287 38.294 38.000 0.012 0.000 1.430 637 I HN 0.297 nan 8.210 nan 0.000 0.533 638 K N 4.393 124.795 120.400 0.003 0.000 2.920 638 K HA -0.387 3.990 4.320 0.094 0.000 0.240 638 K C 1.888 178.487 176.600 -0.002 0.000 0.695 638 K CA 2.303 58.590 56.287 0.000 0.000 1.077 638 K CB -0.304 32.196 32.500 0.001 0.000 0.714 638 K HN 0.489 nan 8.250 nan 0.000 0.771 639 K N 0.589 120.988 120.400 -0.001 0.000 2.097 639 K HA -0.203 4.173 4.320 0.094 0.000 0.214 639 K C 2.200 178.795 176.600 -0.008 0.000 1.052 639 K CA 2.093 58.377 56.287 -0.003 0.000 0.932 639 K CB -0.694 31.807 32.500 0.001 0.000 0.716 639 K HN 0.283 nan 8.250 nan 0.000 0.455 640 L N 1.732 122.952 121.223 -0.004 0.000 1.952 640 L HA -0.296 4.100 4.340 0.094 0.000 0.231 640 L C 2.033 178.889 176.870 -0.022 0.000 1.088 640 L CA 2.133 56.969 54.840 -0.007 0.000 0.802 640 L CB -1.029 41.034 42.059 0.006 0.000 0.903 640 L HN 0.286 nan 8.230 nan 0.000 0.439 641 D N -0.287 120.104 120.400 -0.014 0.000 3.111 641 D HA -0.289 4.408 4.640 0.094 0.000 0.190 641 D C 2.074 178.354 176.300 -0.034 0.000 1.141 641 D CA 2.141 56.130 54.000 -0.019 0.000 0.888 641 D CB -0.246 40.545 40.800 -0.014 0.000 0.905 641 D HN 0.300 nan 8.370 nan 0.000 0.497 642 I N 1.304 121.852 120.570 -0.036 0.000 2.423 642 I HA -0.267 3.960 4.170 0.094 0.000 0.254 642 I C 2.677 178.747 176.117 -0.079 0.000 1.151 642 I CA 1.155 62.430 61.300 -0.043 0.000 1.421 642 I CB -1.045 36.936 38.000 -0.031 0.000 1.079 642 I HN 0.317 nan 8.210 nan 0.000 0.431 643 Q N 1.508 121.233 119.800 -0.125 0.000 2.020 643 Q HA -0.170 4.227 4.340 0.094 0.000 0.198 643 Q C 2.062 177.834 176.000 -0.380 0.000 0.974 643 Q CA 0.969 56.594 55.803 -0.296 0.000 0.829 643 Q CB -0.402 28.172 28.738 -0.275 0.000 0.894 643 Q HN 0.335 nan 8.270 nan 0.000 0.433 644 K N 0.980 121.284 120.400 -0.160 0.000 1.987 644 K HA -0.276 4.101 4.320 0.094 0.000 0.216 644 K C 2.173 178.820 176.600 0.079 0.000 1.051 644 K CA 1.930 58.218 56.287 0.002 0.000 0.942 644 K CB -0.254 32.274 32.500 0.047 0.000 0.722 644 K HN 0.326 nan 8.250 nan 0.000 0.444 645 E N 1.383 121.602 120.200 0.030 0.000 2.048 645 E HA -0.304 4.103 4.350 0.094 0.000 0.202 645 E C 1.979 178.644 176.600 0.109 0.000 1.021 645 E CA 1.787 58.215 56.400 0.047 0.000 0.825 645 E CB -0.260 29.437 29.700 -0.006 0.000 0.756 645 E HN 0.205 nan 8.360 nan 0.000 0.454 646 N N 0.031 118.749 118.700 0.030 0.000 2.055 646 N HA -0.288 4.509 4.740 0.094 0.000 0.200 646 N C 1.799 177.407 175.510 0.164 0.000 1.037 646 N CA 2.406 55.481 53.050 0.043 0.000 0.881 646 N CB -0.721 37.726 38.487 -0.067 0.000 1.075 646 N HN 0.513 nan 8.380 nan 0.000 0.470 647 H N -1.322 117.820 119.070 0.120 0.000 2.289 647 H HA -0.150 4.463 4.556 0.095 0.000 0.296 647 H C 2.009 177.422 175.328 0.142 0.000 1.091 647 H CA 1.365 57.477 56.048 0.108 0.000 1.274 647 H CB -0.358 29.466 29.762 0.103 0.000 1.364 647 H HN 0.235 nan 8.280 nan 0.000 0.490 648 F N 1.775 121.854 119.950 0.215 0.000 2.032 648 F HA -0.334 4.250 4.527 0.095 0.000 0.297 648 F C 2.364 178.241 175.800 0.129 0.000 1.125 648 F CA 1.772 59.889 58.000 0.195 0.000 1.202 648 F CB -0.023 39.080 39.000 0.171 0.000 0.958 648 F HN -0.088 nan 8.300 nan 0.000 0.491 649 K N 0.033 120.693 120.400 0.433 0.000 2.147 649 K HA -0.105 4.271 4.320 0.094 0.000 0.205 649 K C 1.822 178.483 176.600 0.101 0.000 1.049 649 K CA 1.264 57.730 56.287 0.298 0.000 0.936 649 K CB -0.745 31.927 32.500 0.288 0.000 0.722 649 K HN 0.234 nan 8.250 nan 0.000 0.446 650 V N 0.038 120.004 119.914 0.086 0.000 2.233 650 V HA -0.285 3.891 4.120 0.094 0.000 0.247 650 V C 2.174 178.220 176.094 -0.080 0.000 1.050 650 V CA 1.877 64.188 62.300 0.019 0.000 1.010 650 V CB -0.803 31.045 31.823 0.042 0.000 0.637 650 V HN 0.017 nan 8.190 nan 0.000 0.444 651 V N 1.029 120.859 119.914 -0.139 0.000 2.236 651 V HA -0.407 3.770 4.120 0.094 0.000 0.255 651 V C 2.280 178.161 176.094 -0.355 0.000 1.068 651 V CA 2.860 64.986 62.300 -0.290 0.000 1.044 651 V CB -1.275 30.276 31.823 -0.453 0.000 0.653 651 V HN 0.591 nan 8.190 nan 0.000 0.448 652 N N -0.313 118.132 118.700 -0.425 0.000 2.149 652 N HA -0.155 4.641 4.740 0.094 0.000 0.188 652 N C 1.779 177.145 175.510 -0.240 0.000 1.019 652 N CA 1.376 54.150 53.050 -0.461 0.000 0.857 652 N CB -0.300 37.694 38.487 -0.821 0.000 0.997 652 N HN 0.526 nan 8.380 nan 0.000 0.426 653 E N 0.297 120.411 120.200 -0.144 0.000 2.047 653 E HA -0.031 4.375 4.350 0.094 0.000 0.191 653 E C 1.945 178.505 176.600 -0.066 0.000 0.987 653 E CA 0.627 56.994 56.400 -0.054 0.000 0.799 653 E CB -0.674 29.019 29.700 -0.011 0.000 0.752 653 E HN 0.180 nan 8.360 nan 0.000 0.449 654 S N 0.836 116.477 115.700 -0.098 0.000 2.420 654 S HA -0.105 4.421 4.470 0.094 0.000 0.237 654 S C 1.567 176.105 174.600 -0.103 0.000 1.023 654 S CA 0.358 58.498 58.200 -0.100 0.000 0.991 654 S CB -0.244 62.879 63.200 -0.129 0.000 0.792 654 S HN 0.226 nan 8.310 nan 0.000 0.488 655 L N 2.239 123.390 121.223 -0.119 0.000 2.821 655 L HA -0.005 4.392 4.340 0.094 0.000 0.254 655 L C 1.893 178.739 176.870 -0.040 0.000 1.151 655 L CA 0.261 55.045 54.840 -0.094 0.000 0.937 655 L CB -0.469 41.524 42.059 -0.110 0.000 1.141 655 L HN 0.416 nan 8.230 nan 0.000 0.425 656 S N -1.357 114.322 115.700 -0.035 0.000 2.474 656 S HA -0.162 4.365 4.470 0.094 0.000 0.235 656 S C 1.860 176.446 174.600 -0.024 0.000 0.997 656 S CA 0.211 58.404 58.200 -0.011 0.000 0.949 656 S CB -0.163 63.029 63.200 -0.013 0.000 0.766 656 S HN 0.509 nan 8.310 nan 0.000 0.517 657 R N 0.974 121.447 120.500 -0.045 0.000 2.140 657 R HA -0.078 4.318 4.340 0.094 0.000 0.250 657 R C 1.849 178.121 176.300 -0.047 0.000 1.150 657 R CA 1.862 57.928 56.100 -0.057 0.000 0.966 657 R CB -0.950 29.306 30.300 -0.072 0.000 0.869 657 R HN 0.445 nan 8.270 nan 0.000 0.445 658 L N 0.369 121.579 121.223 -0.023 0.000 2.721 658 L HA -0.033 4.363 4.340 0.094 0.000 0.241 658 L C 1.113 177.978 176.870 -0.008 0.000 1.168 658 L CA 0.704 55.541 54.840 -0.005 0.000 0.866 658 L CB -0.545 41.532 42.059 0.031 0.000 0.996 658 L HN 0.570 nan 8.230 nan 0.000 0.451 659 G N 0.754 109.544 108.800 -0.017 0.000 2.160 659 G HA2 -0.302 3.714 3.960 0.094 0.000 0.251 659 G HA3 -0.302 3.714 3.960 0.094 0.000 0.251 659 G C 0.166 175.072 174.900 0.010 0.000 1.008 659 G CA -0.140 44.952 45.100 -0.013 0.000 0.724 659 G HN 0.361 nan 8.290 nan 0.000 0.514 660 I N 0.220 120.806 120.570 0.026 0.000 2.301 660 I HA 0.314 4.540 4.170 0.094 0.000 0.292 660 I C 0.872 177.029 176.117 0.066 0.000 1.046 660 I CA -0.490 60.843 61.300 0.055 0.000 1.282 660 I CB 1.169 39.214 38.000 0.074 0.000 1.409 660 I HN -0.083 nan 8.210 nan 0.000 0.484 661 K N 5.307 125.748 120.400 0.068 0.000 2.481 661 K HA 0.078 4.454 4.320 0.094 0.000 0.210 661 K C 1.391 178.032 176.600 0.069 0.000 1.161 661 K CA 0.094 56.417 56.287 0.059 0.000 1.023 661 K CB 0.475 32.993 32.500 0.029 0.000 0.971 661 K HN 0.523 nan 8.250 nan 0.000 0.577 662 K N -0.704 119.758 120.400 0.103 0.000 2.432 662 K HA 0.037 4.414 4.320 0.094 0.000 0.196 662 K C 0.204 176.831 176.600 0.045 0.000 1.038 662 K CA 0.642 56.978 56.287 0.082 0.000 0.986 662 K CB 0.111 32.685 32.500 0.122 0.000 0.782 662 K HN -0.123 nan 8.250 nan 0.000 0.485 663 Y N 0.529 120.860 120.300 0.053 0.000 2.876 663 Y HA 0.491 5.098 4.550 0.094 0.000 0.318 663 Y C -0.859 175.119 175.900 0.129 0.000 1.275 663 Y CA -1.068 57.099 58.100 0.111 0.000 1.144 663 Y CB 1.831 40.394 38.460 0.173 0.000 1.376 663 Y HN -0.170 nan 8.280 nan 0.000 0.589 664 K N 0.433 121.055 120.400 0.370 0.000 2.584 664 K HA 0.134 4.511 4.320 0.094 0.000 0.260 664 K C -2.344 174.334 176.600 0.131 0.000 0.949 664 K CA -0.581 55.826 56.287 0.201 0.000 0.888 664 K CB 0.747 33.302 32.500 0.092 0.000 1.330 664 K HN 0.599 nan 8.250 nan 0.000 0.432 665 Y N 3.486 123.692 120.300 -0.158 0.000 2.636 665 Y HA 0.298 4.905 4.550 0.095 0.000 0.341 665 Y C -0.760 175.031 175.900 -0.183 0.000 1.169 665 Y CA 0.275 58.132 58.100 -0.406 0.000 1.498 665 Y CB 0.393 38.524 38.460 -0.547 0.000 1.362 665 Y HN 0.418 nan 8.280 nan 0.000 0.494 666 S N 6.926 122.522 115.700 -0.173 0.000 2.646 666 S HA 0.457 4.983 4.470 0.094 0.000 0.276 666 S C -2.438 172.048 174.600 -0.189 0.000 1.222 666 S CA -1.312 56.824 58.200 -0.107 0.000 1.014 666 S CB 1.200 64.359 63.200 -0.068 0.000 0.991 666 S HN 0.473 nan 8.310 nan 0.000 0.533 667 P HA 0.180 nan 4.420 nan 0.000 0.272 667 P C 0.385 177.617 177.300 -0.114 0.000 1.240 667 P CA -0.444 62.598 63.100 -0.096 0.000 0.791 667 P CB 0.473 32.149 31.700 -0.041 0.000 0.978 668 L N 0.129 121.282 121.223 -0.117 0.000 2.515 668 L HA 0.282 4.679 4.340 0.094 0.000 0.223 668 L C 0.227 177.050 176.870 -0.078 0.000 1.079 668 L CA 1.604 56.376 54.840 -0.114 0.000 0.857 668 L CB -0.282 41.690 42.059 -0.146 0.000 1.050 668 L HN 0.264 nan 8.230 nan 0.000 0.476 669 T N -0.782 113.731 114.554 -0.069 0.000 2.930 669 T HA 0.325 4.731 4.350 0.094 0.000 0.290 669 T C -0.064 174.610 174.700 -0.043 0.000 1.052 669 T CA -0.428 61.641 62.100 -0.052 0.000 1.017 669 T CB 1.536 70.373 68.868 -0.051 0.000 1.137 669 T HN -0.110 nan 8.240 nan 0.000 0.511 670 N N 0.581 119.260 118.700 -0.034 0.000 2.451 670 N HA 0.378 5.175 4.740 0.094 0.000 0.264 670 N C -0.808 174.686 175.510 -0.027 0.000 1.167 670 N CA -0.037 52.996 53.050 -0.027 0.000 0.898 670 N CB -0.129 38.344 38.487 -0.022 0.000 1.176 670 N HN 0.386 nan 8.380 nan 0.000 0.507 671 L N -0.573 120.630 121.223 -0.033 0.000 2.334 671 L HA 0.409 4.806 4.340 0.094 0.000 0.270 671 L C 1.126 177.974 176.870 -0.037 0.000 1.018 671 L CA -0.802 54.019 54.840 -0.032 0.000 0.811 671 L CB 1.273 43.311 42.059 -0.035 0.000 1.271 671 L HN 0.089 nan 8.230 nan 0.000 0.443 672 N N 0.399 119.080 118.700 -0.033 0.000 2.173 672 N HA -0.088 4.708 4.740 0.094 0.000 0.184 672 N C 0.976 176.457 175.510 -0.048 0.000 1.025 672 N CA 1.278 54.307 53.050 -0.035 0.000 0.852 672 N CB 0.310 38.782 38.487 -0.026 0.000 0.998 672 N HN 0.588 nan 8.380 nan 0.000 0.427 673 E N -0.165 120.006 120.200 -0.048 0.000 2.489 673 E HA 0.042 4.449 4.350 0.094 0.000 0.193 673 E C 0.428 176.977 176.600 -0.084 0.000 1.057 673 E CA -0.295 56.069 56.400 -0.060 0.000 0.866 673 E CB 0.337 30.012 29.700 -0.041 0.000 0.916 673 E HN 0.178 nan 8.360 nan 0.000 0.500 674 C N 1.075 120.327 119.300 -0.081 0.000 2.605 674 C HA 0.227 4.744 4.460 0.094 0.000 0.404 674 C C 1.211 176.120 174.990 -0.135 0.000 1.284 674 C CA -0.282 58.683 59.018 -0.089 0.000 2.199 674 C CB 0.088 27.787 27.740 -0.068 0.000 2.647 674 C HN 0.293 nan 8.230 nan 0.000 0.604 675 R N 1.913 122.330 120.500 -0.139 0.000 2.531 675 R HA 0.179 4.576 4.340 0.094 0.000 0.316 675 R C 0.146 176.417 176.300 -0.048 0.000 0.955 675 R CA -0.108 55.876 56.100 -0.193 0.000 1.120 675 R CB -0.109 30.009 30.300 -0.303 0.000 1.361 675 R HN 0.716 nan 8.270 nan 0.000 0.534 676 K N 1.784 122.160 120.400 -0.040 0.000 2.484 676 K HA -0.024 4.353 4.320 0.094 0.000 0.280 676 K C -0.267 176.288 176.600 -0.074 0.000 1.013 676 K CA 0.597 56.860 56.287 -0.042 0.000 1.029 676 K CB 0.201 32.648 32.500 -0.087 0.000 0.902 676 K HN -0.034 nan 8.250 nan 0.000 0.481 677 Y N -1.253 118.889 120.300 -0.265 0.000 2.630 677 Y HA 0.674 5.281 4.550 0.095 0.000 0.337 677 Y C -0.295 175.370 175.900 -0.391 0.000 1.051 677 Y CA -1.329 56.476 58.100 -0.492 0.000 1.121 677 Y CB 1.624 39.436 38.460 -1.080 0.000 1.299 677 Y HN 0.415 nan 8.280 nan 0.000 0.498 678 T N 0.784 115.086 114.554 -0.421 0.000 2.971 678 T HA 0.324 4.731 4.350 0.094 0.000 0.304 678 T C -2.190 172.399 174.700 -0.185 0.000 1.038 678 T CA -0.512 61.420 62.100 -0.281 0.000 1.007 678 T CB 0.322 69.098 68.868 -0.154 0.000 1.055 678 T HN 0.637 nan 8.240 nan 0.000 0.451 679 W N 4.916 126.238 121.300 0.038 0.000 2.081 679 W HA 0.319 5.036 4.660 0.094 0.000 0.433 679 W C 0.809 177.395 176.519 0.113 0.000 0.876 679 W CA -0.774 56.667 57.345 0.160 0.000 1.631 679 W CB -0.012 29.572 29.460 0.207 0.000 1.757 679 W HN 0.677 nan 8.180 nan 0.000 0.298 680 E N 1.725 122.018 120.200 0.154 0.000 2.289 680 E HA 0.348 4.755 4.350 0.094 0.000 0.278 680 E C -0.438 176.111 176.600 -0.086 0.000 1.032 680 E CA -0.778 55.636 56.400 0.024 0.000 0.854 680 E CB 0.955 30.647 29.700 -0.013 0.000 1.046 680 E HN 0.140 nan 8.360 nan 0.000 0.409 681 K N 3.374 123.631 120.400 -0.239 0.000 2.185 681 K HA 0.424 4.801 4.320 0.094 0.000 0.271 681 K C 0.076 176.549 176.600 -0.212 0.000 1.013 681 K CA -0.299 55.734 56.287 -0.424 0.000 0.943 681 K CB 0.748 32.968 32.500 -0.466 0.000 0.998 681 K HN 0.609 nan 8.250 nan 0.000 0.468 682 I N 0.000 120.459 120.570 -0.184 0.000 2.984 682 I HA 0.000 4.227 4.170 0.094 0.000 0.288 682 I CA 0.000 61.243 61.300 -0.095 0.000 1.566 682 I CB 0.000 37.969 38.000 -0.052 0.000 1.214 682 I HN 0.000 nan 8.210 nan 0.000 0.494