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 1dwv_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.142 176.000 0.236 0.000 1.003 77 Q CA 0.000 55.789 55.803 -0.024 0.000 1.022 77 Q CB 0.000 28.576 28.738 -0.270 0.000 1.108 78 Y N -1.882 118.562 120.300 0.240 0.000 2.750 78 Y HA 0.753 5.303 4.550 0.000 0.000 0.335 78 Y C -1.492 174.491 175.900 0.137 0.000 1.252 78 Y CA -1.446 56.811 58.100 0.260 0.000 1.064 78 Y CB 0.583 39.157 38.460 0.190 0.000 1.321 78 Y HN 0.110 nan 8.280 nan 0.000 0.451 79 V N 2.402 122.554 119.914 0.397 0.000 2.495 79 V HA 0.560 4.680 4.120 0.000 0.000 0.298 79 V C -0.089 176.130 176.094 0.208 0.000 1.031 79 V CA -0.894 61.505 62.300 0.166 0.000 0.871 79 V CB 1.492 33.200 31.823 -0.192 0.000 0.988 79 V HN 0.782 nan 8.190 nan 0.000 0.432 80 R N 3.737 124.366 120.500 0.216 0.000 2.390 80 R HA 0.649 4.989 4.340 0.000 0.000 0.291 80 R C -1.061 175.225 176.300 -0.024 0.000 1.070 80 R CA -0.179 55.984 56.100 0.105 0.000 1.014 80 R CB 0.656 31.056 30.300 0.167 0.000 1.007 80 R HN 0.677 nan 8.270 nan 0.000 0.466 81 I N 3.280 123.762 120.570 -0.147 0.000 2.582 81 I HA 0.321 4.491 4.170 0.000 0.000 0.292 81 I C -0.748 175.237 176.117 -0.220 0.000 1.066 81 I CA -0.799 60.415 61.300 -0.143 0.000 1.053 81 I CB 2.257 40.157 38.000 -0.167 0.000 1.241 81 I HN 0.533 nan 8.210 nan 0.000 0.421 82 K N 4.913 125.204 120.400 -0.182 0.000 2.375 82 K HA 0.386 4.706 4.320 0.000 0.000 0.249 82 K C -1.137 175.282 176.600 -0.302 0.000 0.942 82 K CA -0.708 55.369 56.287 -0.349 0.000 0.806 82 K CB 1.853 33.989 32.500 -0.607 0.000 1.227 82 K HN 0.510 nan 8.250 nan 0.000 0.430 83 N N 3.716 122.230 118.700 -0.310 0.000 2.469 83 N HA 0.118 4.858 4.740 0.000 0.000 0.253 83 N C -0.421 174.979 175.510 -0.182 0.000 0.970 83 N CA -0.390 52.602 53.050 -0.096 0.000 0.940 83 N CB 0.475 38.943 38.487 -0.033 0.000 1.128 83 N HN 0.638 nan 8.380 nan 0.000 0.503 84 W N 2.310 123.676 121.300 0.110 0.000 2.961 84 W HA 0.239 4.899 4.660 0.000 0.000 0.240 84 W C 1.842 178.384 176.519 0.038 0.000 1.305 84 W CA -0.127 57.273 57.345 0.092 0.000 1.465 84 W CB 0.255 29.801 29.460 0.144 0.000 1.135 84 W HN 0.670 nan 8.180 nan 0.000 0.688 85 G N -1.579 107.307 108.800 0.143 0.000 2.673 85 G HA2 -0.045 3.915 3.960 0.000 0.000 0.208 85 G HA3 -0.045 3.915 3.960 0.000 0.000 0.208 85 G C 1.454 176.348 174.900 -0.009 0.000 1.128 85 G CA 0.527 45.628 45.100 0.001 0.000 0.805 85 G HN 0.134 nan 8.290 nan 0.000 0.526 86 S N -0.604 115.086 115.700 -0.015 0.000 2.506 86 S HA 0.341 4.812 4.470 0.000 0.000 0.219 86 S C 1.892 176.445 174.600 -0.080 0.000 1.031 86 S CA 0.854 59.029 58.200 -0.041 0.000 0.911 86 S CB 0.618 63.794 63.200 -0.040 0.000 0.812 86 S HN 1.101 nan 8.310 nan 0.000 0.497 87 G N 2.130 110.852 108.800 -0.130 0.000 2.234 87 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 87 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 87 G C 0.005 174.776 174.900 -0.216 0.000 0.987 87 G CA 0.478 45.461 45.100 -0.196 0.000 0.625 87 G HN 0.545 nan 8.290 nan 0.000 0.532 88 E N 0.197 120.291 120.200 -0.176 0.000 2.437 88 E HA 0.413 4.763 4.350 0.000 0.000 0.263 88 E C 0.121 176.570 176.600 -0.251 0.000 1.030 88 E CA 0.011 56.302 56.400 -0.182 0.000 0.934 88 E CB 0.184 29.798 29.700 -0.144 0.000 0.943 88 E HN 0.422 nan 8.360 nan 0.000 0.444 89 I N 4.263 124.668 120.570 -0.276 0.000 2.608 89 I HA 0.345 4.515 4.170 0.000 0.000 0.295 89 I C -0.650 175.172 176.117 -0.492 0.000 1.049 89 I CA -0.742 60.334 61.300 -0.374 0.000 1.063 89 I CB 1.475 39.262 38.000 -0.354 0.000 1.248 89 I HN 0.412 nan 8.210 nan 0.000 0.424 90 L N 4.580 125.439 121.223 -0.606 0.000 2.354 90 L HA 0.525 4.865 4.340 0.000 0.000 0.264 90 L C -1.254 175.172 176.870 -0.741 0.000 1.008 90 L CA -0.807 53.610 54.840 -0.704 0.000 0.819 90 L CB 2.185 43.664 42.059 -0.966 0.000 1.339 90 L HN 0.535 nan 8.230 nan 0.000 0.420 91 H N 0.047 118.931 119.070 -0.310 0.000 2.708 91 H HA 0.188 4.744 4.556 0.000 0.000 0.320 91 H C -1.059 174.262 175.328 -0.013 0.000 0.991 91 H CA -0.626 55.195 56.048 -0.378 0.000 1.243 91 H CB 1.561 30.787 29.762 -0.894 0.000 1.446 91 H HN 0.400 nan 8.280 nan 0.000 0.502 92 D N 2.712 123.251 120.400 0.231 0.000 2.339 92 D HA 0.017 4.657 4.640 0.000 0.000 0.256 92 D C 0.314 176.823 176.300 0.348 0.000 1.214 92 D CA 0.195 54.416 54.000 0.370 0.000 0.877 92 D CB 1.214 42.176 40.800 0.271 0.000 1.111 92 D HN 0.620 nan 8.370 nan 0.000 0.478 93 T N 3.593 118.308 114.554 0.268 0.000 3.042 93 T HA -0.072 4.278 4.350 0.000 0.000 0.245 93 T C 1.842 176.574 174.700 0.054 0.000 1.029 93 T CA -0.271 61.965 62.100 0.227 0.000 1.120 93 T CB 0.132 69.100 68.868 0.166 0.000 0.917 93 T HN 0.248 nan 8.240 nan 0.000 0.467 94 L N 3.158 124.391 121.223 0.016 0.000 2.129 94 L HA -0.201 4.139 4.340 0.000 0.000 0.212 94 L C 2.541 179.228 176.870 -0.305 0.000 1.087 94 L CA 1.805 56.600 54.840 -0.075 0.000 0.757 94 L CB -0.830 41.224 42.059 -0.008 0.000 0.896 94 L HN 0.516 nan 8.230 nan 0.000 0.434 95 H N -2.395 116.244 119.070 -0.719 0.000 2.492 95 H HA -0.217 4.339 4.556 0.000 0.000 0.296 95 H C 1.798 176.751 175.328 -0.625 0.000 1.095 95 H CA 2.026 57.337 56.048 -1.227 0.000 1.281 95 H CB -1.176 27.931 29.762 -1.092 0.000 1.374 95 H HN 0.587 nan 8.280 nan 0.000 0.545 96 H N 0.915 119.514 119.070 -0.786 0.000 2.491 96 H HA 0.034 4.590 4.556 0.000 0.000 0.290 96 H C 1.595 176.764 175.328 -0.264 0.000 1.050 96 H CA 0.800 56.544 56.048 -0.508 0.000 1.309 96 H CB 0.398 29.906 29.762 -0.423 0.000 1.392 96 H HN 0.204 nan 8.280 nan 0.000 0.554 97 K N 0.882 121.210 120.400 -0.120 0.000 2.487 97 K HA 0.179 4.499 4.320 0.000 0.000 0.192 97 K C 0.659 177.234 176.600 -0.042 0.000 1.027 97 K CA 0.110 56.367 56.287 -0.050 0.000 1.054 97 K CB 0.162 32.648 32.500 -0.024 0.000 0.824 97 K HN 0.178 nan 8.250 nan 0.000 0.510 98 A N 1.669 124.434 122.820 -0.091 0.000 2.507 98 A HA 0.085 4.406 4.320 0.000 0.000 0.235 98 A C 0.440 178.012 177.584 -0.021 0.000 1.070 98 A CA 0.258 52.263 52.037 -0.052 0.000 0.768 98 A CB 0.059 19.004 19.000 -0.093 0.000 1.011 98 A HN 0.197 nan 8.150 nan 0.000 0.502 99 T N 1.875 116.414 114.554 -0.026 0.000 2.788 99 T HA 0.291 4.641 4.350 0.000 0.000 0.287 99 T C 1.868 176.584 174.700 0.028 0.000 1.007 99 T CA 0.188 62.282 62.100 -0.009 0.000 1.005 99 T CB 0.859 69.696 68.868 -0.052 0.000 1.012 99 T HN 0.802 nan 8.240 nan 0.000 0.530 100 S N 0.941 116.669 115.700 0.047 0.000 2.412 100 S HA -0.206 4.264 4.470 0.000 0.000 0.311 100 S C 0.519 175.158 174.600 0.065 0.000 1.182 100 S CA 1.872 60.108 58.200 0.059 0.000 1.365 100 S CB -0.329 62.907 63.200 0.061 0.000 1.295 100 S HN 0.813 nan 8.310 nan 0.000 0.463 101 D N -1.876 118.574 120.400 0.083 0.000 2.803 101 D HA 0.557 5.197 4.640 0.000 0.000 0.218 101 D C -0.991 175.421 176.300 0.186 0.000 1.245 101 D CA -0.566 53.501 54.000 0.112 0.000 0.821 101 D CB 1.097 41.943 40.800 0.076 0.000 1.626 101 D HN 0.054 nan 8.370 nan 0.000 0.487 102 F N 0.454 120.414 119.950 0.017 0.000 2.321 102 F HA 0.295 4.822 4.527 0.000 0.000 0.318 102 F C 1.998 177.815 175.800 0.028 0.000 1.129 102 F CA -0.291 57.720 58.000 0.018 0.000 1.074 102 F CB 0.923 39.943 39.000 0.033 0.000 1.432 102 F HN 0.298 nan 8.300 nan 0.000 0.502 103 T N 0.855 114.829 114.554 -0.966 0.000 2.904 103 T HA -0.019 4.331 4.350 0.000 0.000 0.267 103 T C 0.704 175.202 174.700 -0.337 0.000 1.059 103 T CA 0.768 62.487 62.100 -0.636 0.000 1.137 103 T CB -0.540 67.855 68.868 -0.788 0.000 0.879 103 T HN 0.419 nan 8.240 nan 0.000 0.467 104 C N 2.478 121.618 119.300 -0.268 0.000 2.539 104 C HA 0.572 5.032 4.460 0.000 0.000 0.392 104 C C 0.566 175.556 174.990 0.001 0.000 1.269 104 C CA -1.028 57.953 59.018 -0.062 0.000 2.250 104 C CB 0.570 28.337 27.740 0.045 0.000 2.584 104 C HN 0.507 nan 8.230 nan 0.000 0.589 105 K N 0.732 121.134 120.400 0.003 0.000 2.211 105 K HA 0.304 4.624 4.320 0.000 0.000 0.237 105 K C 1.238 177.853 176.600 0.026 0.000 1.002 105 K CA -0.238 56.058 56.287 0.015 0.000 0.885 105 K CB 1.094 33.596 32.500 0.004 0.000 1.136 105 K HN 0.796 nan 8.250 nan 0.000 0.448 106 S N 0.998 116.714 115.700 0.026 0.000 2.382 106 S HA -0.130 4.340 4.470 0.000 0.000 0.228 106 S C 1.036 175.648 174.600 0.020 0.000 1.027 106 S CA 1.074 59.289 58.200 0.026 0.000 0.991 106 S CB -0.149 63.065 63.200 0.023 0.000 0.823 106 S HN 0.588 nan 8.310 nan 0.000 0.469 107 K N 1.385 121.793 120.400 0.014 0.000 2.358 107 K HA 0.236 4.556 4.320 0.000 0.000 0.197 107 K C 0.019 176.623 176.600 0.007 0.000 1.025 107 K CA 0.282 56.575 56.287 0.010 0.000 1.104 107 K CB 0.518 33.023 32.500 0.008 0.000 0.855 107 K HN 0.577 nan 8.250 nan 0.000 0.531 108 S N -0.948 114.757 115.700 0.008 0.000 2.550 108 S HA 0.318 4.788 4.470 0.000 0.000 0.270 108 S C -1.146 173.458 174.600 0.006 0.000 1.145 108 S CA -1.083 57.120 58.200 0.005 0.000 0.852 108 S CB 1.746 64.946 63.200 0.001 0.000 1.119 108 S HN 0.125 nan 8.310 nan 0.000 0.465 109 C N 3.458 122.761 119.300 0.005 0.000 2.281 109 C HA 0.595 5.055 4.460 0.000 0.000 0.323 109 C C 0.553 175.543 174.990 -0.001 0.000 1.270 109 C CA -0.755 58.268 59.018 0.009 0.000 1.559 109 C CB -0.876 26.873 27.740 0.014 0.000 2.239 109 C HN 0.873 nan 8.230 nan 0.000 0.488 110 L N 5.685 126.895 121.223 -0.021 0.000 2.741 110 L HA 0.228 4.568 4.340 0.000 0.000 0.237 110 L C 2.169 179.021 176.870 -0.030 0.000 1.178 110 L CA 0.751 55.570 54.840 -0.036 0.000 0.973 110 L CB -1.066 40.947 42.059 -0.077 0.000 1.255 110 L HN 1.045 nan 8.230 nan 0.000 0.498 111 G N -0.396 108.411 108.800 0.011 0.000 2.479 111 G HA2 -0.270 3.690 3.960 0.000 0.000 0.220 111 G HA3 -0.270 3.690 3.960 0.000 0.000 0.220 111 G C 1.676 176.640 174.900 0.107 0.000 1.115 111 G CA 1.065 46.208 45.100 0.071 0.000 0.757 111 G HN 0.389 nan 8.290 nan 0.000 0.560 112 S N -0.344 115.408 115.700 0.086 0.000 2.527 112 S HA 0.165 4.636 4.470 0.000 0.000 0.222 112 S C 1.040 175.711 174.600 0.119 0.000 0.985 112 S CA -0.481 57.787 58.200 0.114 0.000 0.921 112 S CB -0.212 63.035 63.200 0.078 0.000 0.772 112 S HN 0.098 nan 8.310 nan 0.000 0.529 113 I N 2.505 123.123 120.570 0.080 0.000 2.598 113 I HA 0.052 4.222 4.170 0.000 0.000 0.284 113 I C 1.334 177.525 176.117 0.123 0.000 1.140 113 I CA 0.395 61.739 61.300 0.073 0.000 1.420 113 I CB 0.289 38.303 38.000 0.023 0.000 1.387 113 I HN 0.366 nan 8.210 nan 0.000 0.553 114 M N 5.149 124.836 119.600 0.144 0.000 2.123 114 M HA -0.055 4.425 4.480 0.000 0.000 0.263 114 M C 0.463 176.834 176.300 0.118 0.000 1.069 114 M CA 1.555 56.979 55.300 0.207 0.000 1.133 114 M CB 0.172 32.891 32.600 0.199 0.000 1.356 114 M HN 0.517 nan 8.290 nan 0.000 0.415 115 N N 1.082 119.804 118.700 0.036 0.000 2.818 115 N HA 0.318 5.058 4.740 0.000 0.000 0.301 115 N C -2.518 173.024 175.510 0.053 0.000 1.821 115 N CA -0.837 52.207 53.050 -0.010 0.000 0.930 115 N CB 0.439 38.843 38.487 -0.138 0.000 1.263 115 N HN 0.272 nan 8.380 nan 0.000 0.487 116 P HA 0.145 nan 4.420 nan 0.000 0.272 116 P C 0.648 177.987 177.300 0.066 0.000 1.230 116 P CA -0.247 62.871 63.100 0.030 0.000 0.788 116 P CB 1.920 33.594 31.700 -0.044 0.000 0.949 117 K N 0.544 120.962 120.400 0.030 0.000 2.147 117 K HA -0.099 4.221 4.320 0.000 0.000 0.205 117 K C 2.077 178.722 176.600 0.075 0.000 1.049 117 K CA 1.907 58.221 56.287 0.045 0.000 0.936 117 K CB -0.356 32.153 32.500 0.014 0.000 0.722 117 K HN 0.558 nan 8.250 nan 0.000 0.446 118 S N 0.505 116.236 115.700 0.050 0.000 2.474 118 S HA -0.069 4.401 4.470 0.000 0.000 0.235 118 S C 1.572 176.305 174.600 0.222 0.000 0.997 118 S CA 0.723 58.979 58.200 0.094 0.000 0.949 118 S CB 0.001 63.200 63.200 -0.001 0.000 0.766 118 S HN 0.079 nan 8.310 nan 0.000 0.517 119 L N 1.480 122.843 121.223 0.233 0.000 2.640 119 L HA 0.420 4.760 4.340 0.000 0.000 0.230 119 L C 0.152 177.303 176.870 0.469 0.000 1.123 119 L CA 0.546 55.578 54.840 0.320 0.000 0.900 119 L CB -0.078 42.120 42.059 0.233 0.000 1.146 119 L HN 0.252 nan 8.230 nan 0.000 0.484 120 T N -0.491 114.295 114.554 0.387 0.000 2.855 120 T HA 0.516 4.866 4.350 0.000 0.000 0.281 120 T C -0.318 174.442 174.700 0.100 0.000 1.007 120 T CA -0.496 61.783 62.100 0.298 0.000 1.009 120 T CB 2.310 71.289 68.868 0.184 0.000 0.983 120 T HN -0.166 nan 8.240 nan 0.000 0.455 121 R N 1.656 122.164 120.500 0.014 0.000 2.407 121 R HA 0.561 4.902 4.340 0.000 0.000 0.298 121 R C 0.422 176.679 176.300 -0.071 0.000 1.166 121 R CA -0.425 55.566 56.100 -0.182 0.000 1.006 121 R CB 0.174 30.231 30.300 -0.404 0.000 1.145 121 R HN 0.854 nan 8.270 nan 0.000 0.538 122 G N 3.077 111.837 108.800 -0.066 0.000 2.570 122 G HA2 0.315 4.275 3.960 0.000 0.000 0.276 122 G HA3 0.315 4.275 3.960 0.000 0.000 0.276 122 G C -2.002 172.863 174.900 -0.058 0.000 1.346 122 G CA -0.947 44.120 45.100 -0.055 0.000 1.034 122 G HN 0.462 nan 8.290 nan 0.000 0.512 123 P HA 0.369 nan 4.420 nan 0.000 0.273 123 P C -0.247 177.026 177.300 -0.045 0.000 1.250 123 P CA -0.128 62.942 63.100 -0.050 0.000 0.793 123 P CB 0.660 32.328 31.700 -0.055 0.000 1.011 124 R N 0.299 120.774 120.500 -0.042 0.000 2.855 124 R HA 0.370 4.710 4.340 0.000 0.000 0.266 124 R C -0.225 176.047 176.300 -0.045 0.000 1.034 124 R CA -0.595 55.481 56.100 -0.040 0.000 0.944 124 R CB 1.500 31.777 30.300 -0.038 0.000 1.219 124 R HN 0.342 nan 8.270 nan 0.000 0.474 125 D N 0.041 120.415 120.400 -0.043 0.000 2.403 125 D HA 0.146 4.786 4.640 0.000 0.000 0.280 125 D C -0.553 175.720 176.300 -0.045 0.000 1.091 125 D CA 0.800 54.771 54.000 -0.048 0.000 0.884 125 D CB 0.916 41.693 40.800 -0.038 0.000 1.427 125 D HN 0.209 nan 8.370 nan 0.000 0.504 126 K N 0.780 121.160 120.400 -0.033 0.000 2.328 126 K HA 0.543 4.863 4.320 0.000 0.000 0.246 126 K C -2.708 173.881 176.600 -0.019 0.000 0.955 126 K CA -1.753 54.520 56.287 -0.024 0.000 0.817 126 K CB 2.222 34.712 32.500 -0.017 0.000 1.208 126 K HN -0.232 nan 8.250 nan 0.000 0.432 127 P HA 0.026 nan 4.420 nan 0.000 0.272 127 P C -0.853 176.447 177.300 -0.001 0.000 1.223 127 P CA -0.236 62.862 63.100 -0.004 0.000 0.784 127 P CB 0.381 32.085 31.700 0.008 0.000 0.923 128 T N 4.992 119.547 114.554 0.002 0.000 2.822 128 T HA 0.073 4.423 4.350 0.000 0.000 0.288 128 T C -1.881 172.827 174.700 0.014 0.000 0.991 128 T CA -0.498 61.609 62.100 0.011 0.000 1.176 128 T CB -0.826 68.058 68.868 0.028 0.000 0.951 128 T HN 0.373 nan 8.240 nan 0.000 0.526 129 P HA 0.036 nan 4.420 nan 0.000 0.265 129 P C 1.197 178.493 177.300 -0.006 0.000 1.193 129 P CA -0.525 62.574 63.100 -0.002 0.000 0.765 129 P CB 0.698 32.393 31.700 -0.008 0.000 0.823 130 L N 2.848 124.068 121.223 -0.005 0.000 2.034 130 L HA -0.224 4.116 4.340 0.000 0.000 0.217 130 L C 2.517 179.366 176.870 -0.035 0.000 1.077 130 L CA 2.466 57.299 54.840 -0.012 0.000 0.769 130 L CB -1.067 40.986 42.059 -0.009 0.000 0.890 130 L HN 0.566 nan 8.230 nan 0.000 0.435 131 E N 0.651 120.827 120.200 -0.040 0.000 2.171 131 E HA -0.273 4.077 4.350 0.000 0.000 0.197 131 E C 1.512 178.050 176.600 -0.103 0.000 0.997 131 E CA 1.896 58.261 56.400 -0.058 0.000 0.810 131 E CB -0.365 29.309 29.700 -0.044 0.000 0.738 131 E HN 0.840 nan 8.360 nan 0.000 0.467 132 E N 0.181 120.310 120.200 -0.118 0.000 2.340 132 E HA 0.052 4.402 4.350 0.000 0.000 0.198 132 E C 2.380 178.776 176.600 -0.339 0.000 0.961 132 E CA -0.224 56.030 56.400 -0.243 0.000 0.905 132 E CB -0.229 29.388 29.700 -0.138 0.000 0.884 132 E HN 0.109 nan 8.360 nan 0.000 0.491 133 L N 0.974 122.133 121.223 -0.107 0.000 2.023 133 L HA -0.046 4.294 4.340 0.000 0.000 0.205 133 L C 2.293 179.161 176.870 -0.003 0.000 1.073 133 L CA 1.188 56.036 54.840 0.013 0.000 0.745 133 L CB -0.511 41.587 42.059 0.065 0.000 0.900 133 L HN 0.307 nan 8.230 nan 0.000 0.435 134 L N 0.878 122.070 121.223 -0.052 0.000 2.013 134 L HA -0.124 4.216 4.340 0.000 0.000 0.212 134 L C -0.541 176.301 176.870 -0.046 0.000 1.073 134 L CA 2.112 56.916 54.840 -0.060 0.000 0.753 134 L CB -1.755 40.268 42.059 -0.060 0.000 0.890 134 L HN 0.120 nan 8.230 nan 0.000 0.432 135 P HA -0.117 nan 4.420 nan 0.000 0.218 135 P C 1.169 178.514 177.300 0.074 0.000 1.149 135 P CA 1.333 64.406 63.100 -0.045 0.000 0.817 135 P CB -0.117 31.511 31.700 -0.120 0.000 0.785 136 H N -0.390 118.722 119.070 0.071 0.000 2.326 136 H HA 0.034 4.590 4.556 0.000 0.000 0.301 136 H C 2.004 177.436 175.328 0.174 0.000 1.081 136 H CA 1.447 57.564 56.048 0.114 0.000 1.334 136 H CB -1.160 28.666 29.762 0.107 0.000 1.385 136 H HN 0.025 nan 8.280 nan 0.000 0.504 137 A N 0.921 123.902 122.820 0.269 0.000 1.902 137 A HA -0.116 4.204 4.320 0.000 0.000 0.217 137 A C 2.674 180.377 177.584 0.198 0.000 1.181 137 A CA 1.450 53.619 52.037 0.219 0.000 0.623 137 A CB -0.833 18.061 19.000 -0.175 0.000 0.818 137 A HN 0.318 nan 8.150 nan 0.000 0.443 138 I N -0.440 120.198 120.570 0.114 0.000 2.226 138 I HA -0.254 3.916 4.170 0.000 0.000 0.245 138 I C 2.557 178.769 176.117 0.159 0.000 1.100 138 I CA 1.769 63.134 61.300 0.108 0.000 1.374 138 I CB -0.333 37.701 38.000 0.057 0.000 1.057 138 I HN 0.515 nan 8.210 nan 0.000 0.413 139 E N 1.635 121.944 120.200 0.181 0.000 2.058 139 E HA -0.312 4.038 4.350 0.000 0.000 0.194 139 E C 2.090 178.818 176.600 0.214 0.000 0.997 139 E CA 1.831 58.341 56.400 0.184 0.000 0.801 139 E CB -0.659 29.161 29.700 0.201 0.000 0.746 139 E HN 0.416 nan 8.360 nan 0.000 0.450 140 F N 0.722 120.773 119.950 0.169 0.000 2.102 140 F HA -0.078 4.449 4.527 0.000 0.000 0.298 140 F C 2.044 177.969 175.800 0.209 0.000 1.105 140 F CA 1.763 59.883 58.000 0.199 0.000 1.239 140 F CB -0.392 38.739 39.000 0.219 0.000 0.991 140 F HN 0.086 nan 8.300 nan 0.000 0.474 141 I N 0.627 121.207 120.570 0.017 0.000 2.163 141 I HA -0.379 3.791 4.170 0.000 0.000 0.243 141 I C 2.267 178.380 176.117 -0.006 0.000 1.085 141 I CA 1.668 62.970 61.300 0.004 0.000 1.347 141 I CB -0.711 37.419 38.000 0.217 0.000 1.044 141 I HN 0.253 nan 8.210 nan 0.000 0.408 142 N N 0.339 119.076 118.700 0.062 0.000 2.166 142 N HA -0.262 4.478 4.740 0.000 0.000 0.186 142 N C 1.886 177.327 175.510 -0.115 0.000 1.019 142 N CA 1.351 54.432 53.050 0.051 0.000 0.856 142 N CB -0.200 38.390 38.487 0.171 0.000 0.993 142 N HN 0.516 nan 8.380 nan 0.000 0.426 143 Q N 0.136 119.870 119.800 -0.110 0.000 2.050 143 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 143 Q C 2.054 177.836 176.000 -0.363 0.000 0.980 143 Q CA 1.232 56.972 55.803 -0.105 0.000 0.840 143 Q CB -0.187 28.591 28.738 0.067 0.000 0.898 143 Q HN 0.377 nan 8.270 nan 0.000 0.424 144 Y N 0.108 119.920 120.300 -0.813 0.000 2.049 144 Y HA -0.320 4.230 4.550 0.000 0.000 0.277 144 Y C 1.721 176.806 175.900 -1.359 0.000 1.143 144 Y CA 2.154 59.374 58.100 -1.468 0.000 1.115 144 Y CB -0.811 36.849 38.460 -1.333 0.000 0.975 144 Y HN 0.201 nan 8.280 nan 0.000 0.487 145 Y N -0.020 119.703 120.300 -0.962 0.000 2.315 145 Y HA -0.081 4.469 4.550 0.000 0.000 0.288 145 Y C 2.598 178.007 175.900 -0.817 0.000 1.154 145 Y CA 1.389 58.909 58.100 -0.967 0.000 1.229 145 Y CB -0.828 37.083 38.460 -0.915 0.000 0.980 145 Y HN 0.280 nan 8.280 nan 0.000 0.540 146 G N -1.505 106.988 108.800 -0.512 0.000 2.920 146 G HA2 -0.103 3.857 3.960 0.000 0.000 0.208 146 G HA3 -0.103 3.857 3.960 0.000 0.000 0.208 146 G C 1.642 176.324 174.900 -0.362 0.000 1.159 146 G CA 0.759 45.687 45.100 -0.287 0.000 0.784 146 G HN 0.466 nan 8.290 nan 0.000 0.535 147 S N 0.900 116.176 115.700 -0.706 0.000 2.348 147 S HA 0.142 4.613 4.470 0.000 0.000 0.219 147 S C 0.991 175.350 174.600 -0.402 0.000 1.033 147 S CA -0.168 57.707 58.200 -0.541 0.000 0.974 147 S CB -0.525 62.300 63.200 -0.625 0.000 0.868 147 S HN 0.212 nan 8.310 nan 0.000 0.459 148 F N 2.363 122.147 119.950 -0.276 0.000 2.506 148 F HA 0.508 5.035 4.527 0.000 0.000 0.351 148 F C 1.659 177.395 175.800 -0.107 0.000 1.136 148 F CA -1.709 56.182 58.000 -0.182 0.000 1.298 148 F CB 0.223 39.091 39.000 -0.221 0.000 1.145 148 F HN 0.069 nan 8.300 nan 0.000 0.593 149 K N 1.026 121.521 120.400 0.157 0.000 2.032 149 K HA -0.221 4.099 4.320 0.000 0.000 0.218 149 K C 0.015 176.664 176.600 0.082 0.000 1.054 149 K CA 2.232 58.569 56.287 0.083 0.000 0.941 149 K CB -0.185 32.344 32.500 0.048 0.000 0.720 149 K HN 0.896 nan 8.250 nan 0.000 0.449 150 E N 0.632 120.871 120.200 0.064 0.000 2.109 150 E HA 0.419 4.769 4.350 0.000 0.000 0.278 150 E C -1.214 175.413 176.600 0.045 0.000 0.954 150 E CA -0.653 55.766 56.400 0.031 0.000 0.779 150 E CB 1.673 31.362 29.700 -0.019 0.000 1.093 150 E HN 0.289 nan 8.360 nan 0.000 0.401 151 A N 4.296 127.178 122.820 0.103 0.000 2.524 151 A HA 0.040 4.360 4.320 0.000 0.000 0.250 151 A C 0.097 177.730 177.584 0.082 0.000 1.078 151 A CA -0.301 51.837 52.037 0.168 0.000 0.761 151 A CB 0.029 19.127 19.000 0.163 0.000 1.012 151 A HN 0.598 nan 8.150 nan 0.000 0.500 152 K N 4.046 124.509 120.400 0.104 0.000 2.333 152 K HA 0.240 4.560 4.320 0.000 0.000 0.241 152 K C 0.516 177.179 176.600 0.104 0.000 1.193 152 K CA -0.118 56.195 56.287 0.043 0.000 1.142 152 K CB 0.088 32.588 32.500 -0.001 0.000 1.731 152 K HN 0.737 nan 8.250 nan 0.000 0.344 153 I N 0.851 121.464 120.570 0.071 0.000 2.145 153 I HA -0.384 3.786 4.170 0.000 0.000 0.244 153 I C 2.527 178.629 176.117 -0.024 0.000 1.075 153 I CA 1.625 62.949 61.300 0.039 0.000 1.332 153 I CB -0.139 37.867 38.000 0.010 0.000 1.033 153 I HN 0.614 nan 8.210 nan 0.000 0.410 154 E N 1.040 121.224 120.200 -0.026 0.000 2.072 154 E HA -0.238 4.112 4.350 0.000 0.000 0.191 154 E C 2.046 178.611 176.600 -0.058 0.000 0.985 154 E CA 1.290 57.664 56.400 -0.043 0.000 0.801 154 E CB 0.056 29.740 29.700 -0.026 0.000 0.750 154 E HN 0.504 nan 8.360 nan 0.000 0.452 155 E N -0.712 119.464 120.200 -0.039 0.000 2.150 155 E HA -0.209 4.141 4.350 0.000 0.000 0.193 155 E C 1.975 178.392 176.600 -0.305 0.000 0.985 155 E CA 0.946 57.322 56.400 -0.041 0.000 0.814 155 E CB -0.218 29.553 29.700 0.118 0.000 0.752 155 E HN 0.474 nan 8.360 nan 0.000 0.466 156 H N 0.726 119.384 119.070 -0.685 0.000 2.293 156 H HA -0.103 4.453 4.556 0.000 0.000 0.300 156 H C 2.204 177.219 175.328 -0.521 0.000 1.082 156 H CA 1.124 56.482 56.048 -1.150 0.000 1.308 156 H CB 0.095 29.491 29.762 -0.610 0.000 1.375 156 H HN 0.060 nan 8.280 nan 0.000 0.495 157 L N 0.336 121.420 121.223 -0.232 0.000 2.046 157 L HA -0.167 4.173 4.340 0.000 0.000 0.208 157 L C 3.051 179.855 176.870 -0.109 0.000 1.077 157 L CA 0.958 55.681 54.840 -0.196 0.000 0.747 157 L CB -0.495 41.467 42.059 -0.162 0.000 0.896 157 L HN 0.405 nan 8.230 nan 0.000 0.432 158 A N 0.054 122.821 122.820 -0.088 0.000 1.877 158 A HA -0.265 4.055 4.320 0.000 0.000 0.216 158 A C 2.365 179.945 177.584 -0.007 0.000 1.186 158 A CA 1.999 54.014 52.037 -0.036 0.000 0.620 158 A CB -0.499 18.493 19.000 -0.014 0.000 0.822 158 A HN 0.280 nan 8.150 nan 0.000 0.443 159 R N -0.087 120.409 120.500 -0.006 0.000 2.075 159 R HA 0.026 4.366 4.340 0.000 0.000 0.232 159 R C 1.945 178.286 176.300 0.069 0.000 1.126 159 R CA 1.517 57.667 56.100 0.084 0.000 0.963 159 R CB -0.897 29.534 30.300 0.218 0.000 0.858 159 R HN 0.518 nan 8.270 nan 0.000 0.435 160 L N 0.210 121.456 121.223 0.038 0.000 2.012 160 L HA -0.206 4.135 4.340 0.000 0.000 0.210 160 L C 2.557 179.423 176.870 -0.006 0.000 1.073 160 L CA 2.140 56.999 54.840 0.031 0.000 0.748 160 L CB -0.532 41.525 42.059 -0.003 0.000 0.891 160 L HN 0.405 nan 8.230 nan 0.000 0.431 161 E N -0.038 120.151 120.200 -0.019 0.000 2.051 161 E HA -0.239 4.111 4.350 0.000 0.000 0.192 161 E C 2.192 178.788 176.600 -0.008 0.000 0.991 161 E CA 1.185 57.574 56.400 -0.020 0.000 0.799 161 E CB -0.027 29.658 29.700 -0.024 0.000 0.748 161 E HN 0.448 nan 8.360 nan 0.000 0.449 162 A N 0.501 123.327 122.820 0.010 0.000 1.877 162 A HA -0.155 4.165 4.320 0.000 0.000 0.216 162 A C 2.436 180.031 177.584 0.019 0.000 1.186 162 A CA 1.644 53.696 52.037 0.026 0.000 0.620 162 A CB -0.822 18.209 19.000 0.051 0.000 0.822 162 A HN 0.236 nan 8.150 nan 0.000 0.443 163 V N -0.163 119.755 119.914 0.007 0.000 2.343 163 V HA -0.234 3.886 4.120 0.000 0.000 0.247 163 V C 2.740 178.756 176.094 -0.131 0.000 1.051 163 V CA 2.464 64.721 62.300 -0.072 0.000 1.036 163 V CB -1.329 30.416 31.823 -0.130 0.000 0.654 163 V HN 0.621 nan 8.190 nan 0.000 0.451 164 T N -0.318 114.184 114.554 -0.088 0.000 2.684 164 T HA -0.223 4.127 4.350 0.000 0.000 0.267 164 T C 1.939 176.610 174.700 -0.047 0.000 1.036 164 T CA 1.620 63.675 62.100 -0.076 0.000 1.148 164 T CB -0.215 68.623 68.868 -0.049 0.000 0.863 164 T HN 0.484 nan 8.240 nan 0.000 0.436 165 K N 0.718 121.103 120.400 -0.025 0.000 2.057 165 K HA -0.087 4.233 4.320 0.000 0.000 0.206 165 K C 2.453 179.057 176.600 0.005 0.000 1.050 165 K CA 1.197 57.480 56.287 -0.007 0.000 0.935 165 K CB -0.128 32.373 32.500 0.001 0.000 0.715 165 K HN 0.439 nan 8.250 nan 0.000 0.439 166 E N 1.265 121.474 120.200 0.015 0.000 2.058 166 E HA -0.199 4.151 4.350 0.000 0.000 0.194 166 E C 1.980 178.609 176.600 0.049 0.000 0.997 166 E CA 1.135 57.564 56.400 0.047 0.000 0.801 166 E CB -0.023 29.731 29.700 0.089 0.000 0.746 166 E HN 0.222 nan 8.360 nan 0.000 0.450 167 I N 0.848 121.427 120.570 0.015 0.000 2.163 167 I HA -0.275 3.895 4.170 0.000 0.000 0.243 167 I C 2.241 178.368 176.117 0.016 0.000 1.085 167 I CA 1.499 62.811 61.300 0.019 0.000 1.347 167 I CB -0.273 37.691 38.000 -0.059 0.000 1.044 167 I HN 0.182 nan 8.210 nan 0.000 0.408 168 E N 0.054 120.253 120.200 -0.000 0.000 2.150 168 E HA -0.176 4.174 4.350 0.000 0.000 0.193 168 E C 2.112 178.719 176.600 0.011 0.000 0.985 168 E CA 1.841 58.242 56.400 0.001 0.000 0.814 168 E CB -0.047 29.649 29.700 -0.007 0.000 0.752 168 E HN 0.617 nan 8.360 nan 0.000 0.466 169 T N -2.172 112.392 114.554 0.017 0.000 3.009 169 T HA -0.035 4.315 4.350 0.000 0.000 0.258 169 T C 1.930 176.647 174.700 0.029 0.000 1.063 169 T CA 1.196 63.308 62.100 0.021 0.000 1.139 169 T CB -0.020 68.862 68.868 0.022 0.000 0.890 169 T HN 0.147 nan 8.240 nan 0.000 0.471 170 T N -2.870 111.708 114.554 0.039 0.000 3.043 170 T HA 0.626 4.976 4.350 0.000 0.000 0.272 170 T C 1.634 176.364 174.700 0.050 0.000 0.990 170 T CA 0.464 62.591 62.100 0.045 0.000 0.897 170 T CB 0.363 69.263 68.868 0.054 0.000 1.111 170 T HN 0.775 nan 8.240 nan 0.000 0.529 171 G N 1.332 110.162 108.800 0.049 0.000 5.219 171 G HA2 -0.310 3.650 3.960 0.000 0.000 0.267 171 G HA3 -0.310 3.650 3.960 0.000 0.000 0.267 171 G C 0.411 175.362 174.900 0.085 0.000 1.495 171 G CA 0.311 45.442 45.100 0.052 0.000 0.988 171 G HN 0.825 nan 8.290 nan 0.000 0.707 172 T N 0.282 114.895 114.554 0.098 0.000 2.891 172 T HA 0.674 5.025 4.350 0.000 0.000 0.294 172 T C -0.215 174.641 174.700 0.260 0.000 1.065 172 T CA 0.878 63.071 62.100 0.154 0.000 0.936 172 T CB 0.795 69.695 68.868 0.054 0.000 1.415 172 T HN 1.701 nan 8.240 nan 0.000 0.572 173 Y N -1.261 119.046 120.300 0.011 0.000 2.656 173 Y HA 0.665 5.215 4.550 0.000 0.000 0.334 173 Y C -1.442 174.475 175.900 0.027 0.000 1.179 173 Y CA -1.335 56.782 58.100 0.028 0.000 1.050 173 Y CB 0.714 39.202 38.460 0.046 0.000 1.308 173 Y HN 0.365 nan 8.280 nan 0.000 0.456 174 Q N 2.053 121.849 119.800 -0.008 0.000 2.306 174 Q HA 0.470 4.810 4.340 0.000 0.000 0.265 174 Q C -1.076 174.900 176.000 -0.040 0.000 1.022 174 Q CA -0.973 54.773 55.803 -0.095 0.000 0.853 174 Q CB 2.815 31.556 28.738 0.005 0.000 1.327 174 Q HN 0.654 nan 8.270 nan 0.000 0.449 175 L N 1.564 122.745 121.223 -0.070 0.000 2.399 175 L HA 0.347 4.687 4.340 0.000 0.000 0.266 175 L C 1.018 177.906 176.870 0.029 0.000 1.114 175 L CA -0.004 54.846 54.840 0.016 0.000 0.804 175 L CB 0.743 42.795 42.059 -0.012 0.000 1.146 175 L HN 0.745 nan 8.230 nan 0.000 0.451 176 T N -0.878 113.694 114.554 0.030 0.000 2.868 176 T HA 0.162 4.512 4.350 0.000 0.000 0.292 176 T C 1.376 176.068 174.700 -0.013 0.000 1.028 176 T CA -0.675 61.432 62.100 0.012 0.000 1.059 176 T CB 0.946 69.819 68.868 0.007 0.000 0.991 176 T HN 0.480 nan 8.240 nan 0.000 0.531 177 L N 0.547 121.764 121.223 -0.009 0.000 2.081 177 L HA -0.131 4.209 4.340 0.000 0.000 0.212 177 L C 2.039 178.906 176.870 -0.005 0.000 1.080 177 L CA 2.213 57.040 54.840 -0.022 0.000 0.754 177 L CB -1.179 40.869 42.059 -0.018 0.000 0.893 177 L HN 0.888 nan 8.230 nan 0.000 0.433 178 D N -0.192 120.219 120.400 0.018 0.000 2.178 178 D HA -0.209 4.431 4.640 0.000 0.000 0.202 178 D C 1.923 178.264 176.300 0.067 0.000 0.974 178 D CA 1.102 55.147 54.000 0.075 0.000 0.841 178 D CB 0.315 41.195 40.800 0.132 0.000 0.953 178 D HN 0.537 nan 8.370 nan 0.000 0.478 179 E N -0.146 119.981 120.200 -0.121 0.000 2.072 179 E HA -0.147 4.203 4.350 0.000 0.000 0.190 179 E C 2.049 178.772 176.600 0.204 0.000 0.982 179 E CA 0.248 56.555 56.400 -0.155 0.000 0.803 179 E CB 0.013 29.624 29.700 -0.148 0.000 0.755 179 E HN 0.126 nan 8.360 nan 0.000 0.453 180 L N 0.838 122.091 121.223 0.050 0.000 2.046 180 L HA -0.167 4.173 4.340 0.000 0.000 0.208 180 L C 1.903 178.769 176.870 -0.005 0.000 1.077 180 L CA 1.407 56.219 54.840 -0.046 0.000 0.747 180 L CB -0.268 41.699 42.059 -0.154 0.000 0.896 180 L HN 0.063 nan 8.230 nan 0.000 0.432 181 I N -0.860 119.737 120.570 0.044 0.000 2.127 181 I HA -0.308 3.862 4.170 0.000 0.000 0.241 181 I C 2.338 178.549 176.117 0.157 0.000 1.075 181 I CA 1.687 63.022 61.300 0.058 0.000 1.334 181 I CB -0.953 37.088 38.000 0.068 0.000 1.040 181 I HN 0.346 nan 8.210 nan 0.000 0.405 182 F N 1.289 121.316 119.950 0.129 0.000 2.134 182 F HA -0.224 4.303 4.527 0.000 0.000 0.299 182 F C 2.364 178.290 175.800 0.211 0.000 1.097 182 F CA 1.546 59.666 58.000 0.201 0.000 1.264 182 F CB -0.510 38.674 39.000 0.306 0.000 1.001 182 F HN 0.039 nan 8.300 nan 0.000 0.479 183 A N 0.080 123.018 122.820 0.196 0.000 1.877 183 A HA -0.195 4.125 4.320 0.000 0.000 0.216 183 A C 2.298 179.796 177.584 -0.144 0.000 1.186 183 A CA 2.578 54.619 52.037 0.007 0.000 0.620 183 A CB -1.675 17.281 19.000 -0.073 0.000 0.822 183 A HN 0.545 nan 8.150 nan 0.000 0.443 184 T N -1.630 112.868 114.554 -0.092 0.000 2.788 184 T HA -0.155 4.195 4.350 0.000 0.000 0.268 184 T C 1.802 176.539 174.700 0.061 0.000 1.044 184 T CA 1.695 63.772 62.100 -0.039 0.000 1.139 184 T CB -0.338 68.515 68.868 -0.025 0.000 0.867 184 T HN 0.528 nan 8.240 nan 0.000 0.454 185 K N -0.025 120.422 120.400 0.078 0.000 2.103 185 K HA 0.136 4.456 4.320 0.000 0.000 0.204 185 K C 2.297 178.983 176.600 0.142 0.000 1.052 185 K CA 1.229 57.654 56.287 0.230 0.000 0.945 185 K CB -0.263 32.376 32.500 0.231 0.000 0.722 185 K HN 0.209 nan 8.250 nan 0.000 0.443 186 M N 0.781 120.289 119.600 -0.153 0.000 2.132 186 M HA -0.048 4.432 4.480 0.000 0.000 0.263 186 M C 2.033 178.180 176.300 -0.255 0.000 1.065 186 M CA 1.308 56.414 55.300 -0.324 0.000 1.122 186 M CB -0.257 32.006 32.600 -0.562 0.000 1.365 186 M HN 0.158 nan 8.290 nan 0.000 0.411 187 A N -1.066 121.575 122.820 -0.298 0.000 1.972 187 A HA -0.216 4.104 4.320 0.000 0.000 0.219 187 A C 2.013 179.413 177.584 -0.307 0.000 1.169 187 A CA 1.677 53.391 52.037 -0.539 0.000 0.635 187 A CB -1.368 16.903 19.000 -1.215 0.000 0.810 187 A HN 0.784 nan 8.150 nan 0.000 0.446 188 W N 0.845 122.034 121.300 -0.185 0.000 2.379 188 W HA -0.083 4.577 4.660 0.000 0.000 0.307 188 W C 2.291 178.720 176.519 -0.149 0.000 1.200 188 W CA 1.383 58.689 57.345 -0.065 0.000 1.297 188 W CB -0.724 28.718 29.460 -0.029 0.000 1.140 188 W HN 0.356 nan 8.180 nan 0.000 0.507 189 R N 0.395 120.818 120.500 -0.129 0.000 2.127 189 R HA -0.175 4.165 4.340 0.000 0.000 0.238 189 R C 1.260 177.394 176.300 -0.277 0.000 1.134 189 R CA 1.779 57.634 56.100 -0.409 0.000 0.975 189 R CB -0.461 29.407 30.300 -0.720 0.000 0.865 189 R HN 0.062 nan 8.270 nan 0.000 0.447 190 N N -0.005 118.569 118.700 -0.209 0.000 2.322 190 N HA 0.062 4.802 4.740 0.000 0.000 0.194 190 N C -0.745 174.673 175.510 -0.153 0.000 1.126 190 N CA 0.445 53.407 53.050 -0.146 0.000 0.845 190 N CB 1.035 39.490 38.487 -0.052 0.000 0.976 190 N HN 0.145 nan 8.380 nan 0.000 0.475 191 A N 2.305 125.016 122.820 -0.183 0.000 2.437 191 A HA 0.257 4.577 4.320 0.000 0.000 0.303 191 A C -1.098 176.408 177.584 -0.130 0.000 1.324 191 A CA -1.108 50.773 52.037 -0.260 0.000 0.983 191 A CB 0.464 19.377 19.000 -0.145 0.000 1.142 191 A HN -0.009 nan 8.150 nan 0.000 0.541 192 P HA -0.130 nan 4.420 nan 0.000 0.225 192 P C 0.791 178.047 177.300 -0.074 0.000 1.148 192 P CA 0.964 64.014 63.100 -0.083 0.000 0.779 192 P CB 0.219 31.861 31.700 -0.096 0.000 0.780 193 R N -1.505 118.917 120.500 -0.131 0.000 2.334 193 R HA 0.156 4.496 4.340 0.000 0.000 0.216 193 R C 0.527 176.862 176.300 0.057 0.000 0.905 193 R CA -0.178 55.877 56.100 -0.076 0.000 1.064 193 R CB -0.165 29.877 30.300 -0.430 0.000 1.046 193 R HN 0.157 nan 8.270 nan 0.000 0.508 194 C N 0.704 120.015 119.300 0.020 0.000 2.307 194 C HA 0.338 4.798 4.460 0.000 0.000 0.340 194 C C 1.703 176.718 174.990 0.042 0.000 1.275 194 C CA -0.762 58.301 59.018 0.076 0.000 1.811 194 C CB -0.292 27.544 27.740 0.159 0.000 2.372 194 C HN 0.547 nan 8.230 nan 0.000 0.531 195 I N 4.122 124.691 120.570 -0.002 0.000 3.419 195 I HA 0.191 4.361 4.170 0.000 0.000 0.286 195 I C 1.850 178.074 176.117 0.178 0.000 1.268 195 I CA 0.934 62.199 61.300 -0.059 0.000 1.414 195 I CB 0.097 38.027 38.000 -0.116 0.000 1.074 195 I HN 0.926 nan 8.210 nan 0.000 0.457 196 G N 0.371 109.257 108.800 0.143 0.000 3.314 196 G HA2 0.019 3.979 3.960 0.000 0.000 0.238 196 G HA3 0.019 3.979 3.960 0.000 0.000 0.238 196 G C 1.219 176.141 174.900 0.036 0.000 1.184 196 G CA -0.363 44.803 45.100 0.110 0.000 0.806 196 G HN 0.278 nan 8.290 nan 0.000 0.536 197 R N -0.073 120.393 120.500 -0.056 0.000 2.355 197 R HA 0.032 4.372 4.340 0.000 0.000 0.219 197 R C 1.887 177.615 176.300 -0.953 0.000 1.107 197 R CA 0.317 56.065 56.100 -0.586 0.000 1.021 197 R CB -0.263 29.760 30.300 -0.463 0.000 0.852 197 R HN 0.459 nan 8.270 nan 0.000 0.475 198 I N 0.942 121.157 120.570 -0.592 0.000 2.830 198 I HA -0.192 3.978 4.170 0.000 0.000 0.263 198 I C 1.391 177.355 176.117 -0.255 0.000 1.230 198 I CA 1.051 62.149 61.300 -0.337 0.000 1.480 198 I CB 0.176 38.153 38.000 -0.040 0.000 1.095 198 I HN 0.118 nan 8.210 nan 0.000 0.455 199 Q N 0.589 120.170 119.800 -0.366 0.000 2.403 199 Q HA -0.097 4.243 4.340 0.000 0.000 0.203 199 Q C 1.600 177.086 176.000 -0.856 0.000 0.932 199 Q CA 0.321 55.908 55.803 -0.360 0.000 0.945 199 Q CB -0.212 28.492 28.738 -0.056 0.000 1.045 199 Q HN 0.772 nan 8.270 nan 0.000 0.511 200 W N 1.107 121.588 121.300 -1.366 0.000 2.313 200 W HA -0.227 4.433 4.660 0.000 0.000 0.293 200 W C 1.137 177.343 176.519 -0.521 0.000 1.216 200 W CA 1.591 58.055 57.345 -1.469 0.000 1.223 200 W CB -1.290 27.520 29.460 -1.083 0.000 1.138 200 W HN 0.173 nan 8.180 nan 0.000 0.535 201 S N 0.001 114.888 115.700 -1.355 0.000 2.558 201 S HA 0.031 4.501 4.470 0.000 0.000 0.217 201 S C 0.593 174.954 174.600 -0.399 0.000 0.975 201 S CA -0.026 57.554 58.200 -1.034 0.000 0.912 201 S CB -0.685 61.767 63.200 -1.246 0.000 0.776 201 S HN 0.190 nan 8.310 nan 0.000 0.526 202 N N 1.742 120.310 118.700 -0.220 0.000 2.949 202 N HA 0.421 5.161 4.740 0.000 0.000 0.243 202 N C -1.575 174.045 175.510 0.183 0.000 1.113 202 N CA -0.131 52.922 53.050 0.004 0.000 0.980 202 N CB 1.183 39.707 38.487 0.062 0.000 1.256 202 N HN 0.296 nan 8.380 nan 0.000 0.508 203 L N 2.044 123.340 121.223 0.121 0.000 2.470 203 L HA 0.299 4.639 4.340 0.000 0.000 0.268 203 L C -0.644 176.204 176.870 -0.036 0.000 0.964 203 L CA -0.648 54.260 54.840 0.113 0.000 0.839 203 L CB 2.081 44.255 42.059 0.191 0.000 1.276 203 L HN 0.188 nan 8.230 nan 0.000 0.403 204 Q N 3.083 122.820 119.800 -0.105 0.000 2.267 204 Q HA 0.595 4.936 4.340 0.000 0.000 0.255 204 Q C -1.616 174.043 176.000 -0.568 0.000 0.923 204 Q CA -0.156 55.425 55.803 -0.370 0.000 0.925 204 Q CB 1.451 29.877 28.738 -0.520 0.000 1.195 204 Q HN 0.524 nan 8.270 nan 0.000 0.417 205 V N 5.644 125.197 119.914 -0.601 0.000 2.417 205 V HA 0.450 4.570 4.120 0.000 0.000 0.291 205 V C -0.877 174.806 176.094 -0.685 0.000 1.024 205 V CA -0.588 61.389 62.300 -0.537 0.000 0.861 205 V CB 0.816 32.464 31.823 -0.292 0.000 0.985 205 V HN 0.663 nan 8.190 nan 0.000 0.436 206 F N 2.486 122.246 119.950 -0.318 0.000 2.361 206 F HA 0.376 4.903 4.527 0.000 0.000 0.364 206 F C 0.399 175.965 175.800 -0.390 0.000 1.117 206 F CA -1.291 56.508 58.000 -0.335 0.000 1.071 206 F CB 1.125 39.907 39.000 -0.364 0.000 1.188 206 F HN 0.439 nan 8.300 nan 0.000 0.464 207 D N 3.323 123.639 120.400 -0.141 0.000 2.402 207 D HA 0.348 4.988 4.640 0.000 0.000 0.235 207 D C 0.306 176.423 176.300 -0.305 0.000 1.226 207 D CA 0.171 54.038 54.000 -0.222 0.000 0.918 207 D CB 0.802 41.517 40.800 -0.142 0.000 1.043 207 D HN 0.574 nan 8.370 nan 0.000 0.506 208 A N 4.440 126.940 122.820 -0.533 0.000 2.708 208 A HA 0.163 4.483 4.320 0.000 0.000 0.293 208 A C 1.750 179.090 177.584 -0.406 0.000 1.303 208 A CA -0.393 51.198 52.037 -0.744 0.000 0.949 208 A CB -0.023 18.071 19.000 -1.509 0.000 1.121 208 A HN 0.502 nan 8.150 nan 0.000 0.542 209 R N 0.710 121.059 120.500 -0.251 0.000 2.193 209 R HA -0.125 4.215 4.340 0.000 0.000 0.229 209 R C 1.366 177.599 176.300 -0.112 0.000 1.110 209 R CA 1.577 57.593 56.100 -0.141 0.000 0.988 209 R CB -0.205 30.061 30.300 -0.058 0.000 0.871 209 R HN 0.905 nan 8.270 nan 0.000 0.458 210 N N -0.380 118.273 118.700 -0.078 0.000 2.398 210 N HA -0.022 4.718 4.740 0.000 0.000 0.188 210 N C 0.366 175.893 175.510 0.028 0.000 1.122 210 N CA -0.429 52.612 53.050 -0.015 0.000 0.866 210 N CB 0.111 38.605 38.487 0.011 0.000 0.970 210 N HN 0.014 nan 8.380 nan 0.000 0.462 211 C N 1.663 120.972 119.300 0.014 0.000 2.662 211 C HA 0.257 4.717 4.460 0.000 0.000 0.420 211 C C 1.769 176.854 174.990 0.158 0.000 1.314 211 C CA 0.259 59.367 59.018 0.150 0.000 1.963 211 C CB 0.501 28.396 27.740 0.258 0.000 2.686 211 C HN 0.585 nan 8.230 nan 0.000 0.609 212 S N 1.914 117.782 115.700 0.281 0.000 2.679 212 S HA 0.222 4.693 4.470 0.000 0.000 0.258 212 S C 0.224 175.022 174.600 0.330 0.000 1.068 212 S CA 0.433 58.853 58.200 0.367 0.000 1.115 212 S CB -0.174 63.152 63.200 0.209 0.000 1.078 212 S HN 1.154 nan 8.310 nan 0.000 0.603 213 T N -1.762 112.956 114.554 0.273 0.000 2.916 213 T HA 0.822 5.172 4.350 0.000 0.000 0.292 213 T C 1.148 175.946 174.700 0.163 0.000 1.064 213 T CA -0.149 62.054 62.100 0.171 0.000 1.011 213 T CB 1.470 70.414 68.868 0.127 0.000 1.152 213 T HN 0.242 nan 8.240 nan 0.000 0.510 214 A N 0.562 123.451 122.820 0.116 0.000 1.972 214 A HA -0.040 4.280 4.320 0.000 0.000 0.219 214 A C 2.248 179.835 177.584 0.005 0.000 1.169 214 A CA 1.995 54.101 52.037 0.116 0.000 0.635 214 A CB -1.074 18.072 19.000 0.244 0.000 0.810 214 A HN 0.861 nan 8.150 nan 0.000 0.446 215 Q N 0.281 120.136 119.800 0.092 0.000 2.119 215 Q HA -0.128 4.213 4.340 0.000 0.000 0.201 215 Q C 1.732 177.727 176.000 -0.008 0.000 0.972 215 Q CA 2.125 57.938 55.803 0.016 0.000 0.847 215 Q CB -0.334 28.496 28.738 0.153 0.000 0.903 215 Q HN 0.744 nan 8.270 nan 0.000 0.433 216 E N -0.667 119.570 120.200 0.061 0.000 2.152 216 E HA -0.113 4.237 4.350 0.000 0.000 0.192 216 E C 1.985 178.694 176.600 0.182 0.000 0.983 216 E CA 1.070 57.518 56.400 0.081 0.000 0.818 216 E CB -0.076 29.725 29.700 0.169 0.000 0.758 216 E HN 0.446 nan 8.360 nan 0.000 0.467 217 M N 0.038 119.755 119.600 0.195 0.000 2.086 217 M HA -0.146 4.334 4.480 0.000 0.000 0.261 217 M C 2.210 178.605 176.300 0.158 0.000 1.067 217 M CA 1.214 56.636 55.300 0.204 0.000 1.116 217 M CB -0.299 32.222 32.600 -0.132 0.000 1.348 217 M HN 0.119 nan 8.290 nan 0.000 0.407 218 F N 1.465 121.257 119.950 -0.265 0.000 2.161 218 F HA -0.255 4.272 4.527 0.000 0.000 0.300 218 F C 2.240 177.929 175.800 -0.185 0.000 1.089 218 F CA 1.814 59.586 58.000 -0.380 0.000 1.282 218 F CB -0.578 37.833 39.000 -0.983 0.000 1.010 218 F HN 0.171 nan 8.300 nan 0.000 0.485 219 Q N -1.304 118.300 119.800 -0.327 0.000 2.123 219 Q HA -0.177 4.163 4.340 0.000 0.000 0.199 219 Q C 2.035 177.853 176.000 -0.304 0.000 0.966 219 Q CA 1.791 57.344 55.803 -0.417 0.000 0.845 219 Q CB -0.294 28.242 28.738 -0.336 0.000 0.907 219 Q HN 0.593 nan 8.270 nan 0.000 0.439 220 H N -0.200 118.830 119.070 -0.066 0.000 2.363 220 H HA -0.039 4.517 4.556 0.000 0.000 0.301 220 H C 1.873 177.177 175.328 -0.040 0.000 1.074 220 H CA 1.301 57.314 56.048 -0.059 0.000 1.354 220 H CB 0.173 29.969 29.762 0.056 0.000 1.397 220 H HN 0.148 nan 8.280 nan 0.000 0.516 221 I N -0.327 120.369 120.570 0.210 0.000 2.361 221 I HA -0.321 3.849 4.170 0.000 0.000 0.251 221 I C 2.012 178.149 176.117 0.032 0.000 1.133 221 I CA 0.653 62.065 61.300 0.187 0.000 1.413 221 I CB -0.188 37.942 38.000 0.217 0.000 1.073 221 I HN 0.429 nan 8.210 nan 0.000 0.424 222 C N 0.182 119.397 119.300 -0.142 0.000 2.446 222 C HA -0.117 4.343 4.460 0.000 0.000 0.277 222 C C 2.977 177.884 174.990 -0.139 0.000 1.275 222 C CA 0.712 59.609 59.018 -0.203 0.000 1.727 222 C CB -1.057 26.433 27.740 -0.418 0.000 2.010 222 C HN 0.477 nan 8.230 nan 0.000 0.486 223 R N 0.083 120.479 120.500 -0.173 0.000 2.081 223 R HA -0.176 4.164 4.340 0.000 0.000 0.235 223 R C 2.292 178.497 176.300 -0.158 0.000 1.131 223 R CA 1.806 57.780 56.100 -0.209 0.000 0.960 223 R CB -0.735 29.360 30.300 -0.342 0.000 0.856 223 R HN 0.745 nan 8.270 nan 0.000 0.436 224 H N 0.168 119.086 119.070 -0.254 0.000 2.267 224 H HA -0.141 4.415 4.556 0.000 0.000 0.297 224 H C 2.192 177.576 175.328 0.095 0.000 1.080 224 H CA 2.132 58.139 56.048 -0.069 0.000 1.278 224 H CB -0.094 29.681 29.762 0.023 0.000 1.365 224 H HN 0.216 nan 8.280 nan 0.000 0.489 225 I N 0.809 121.347 120.570 -0.053 0.000 2.145 225 I HA -0.347 3.823 4.170 0.000 0.000 0.244 225 I C 2.899 179.000 176.117 -0.027 0.000 1.075 225 I CA 1.222 62.459 61.300 -0.105 0.000 1.332 225 I CB -0.337 37.623 38.000 -0.066 0.000 1.033 225 I HN 0.367 nan 8.210 nan 0.000 0.410 226 L N -0.264 120.959 121.223 -0.001 0.000 1.989 226 L HA -0.299 4.041 4.340 0.000 0.000 0.211 226 L C 2.750 179.653 176.870 0.054 0.000 1.071 226 L CA 1.715 56.562 54.840 0.012 0.000 0.749 226 L CB -0.488 41.568 42.059 -0.005 0.000 0.890 226 L HN 0.236 nan 8.230 nan 0.000 0.431 227 Y N 0.348 120.668 120.300 0.034 0.000 2.097 227 Y HA -0.312 4.238 4.550 0.000 0.000 0.282 227 Y C 2.378 178.364 175.900 0.143 0.000 1.152 227 Y CA 1.894 60.073 58.100 0.132 0.000 1.136 227 Y CB -0.556 38.085 38.460 0.301 0.000 0.975 227 Y HN 0.249 nan 8.280 nan 0.000 0.498 228 A N -0.607 122.329 122.820 0.193 0.000 1.902 228 A HA -0.185 4.135 4.320 0.000 0.000 0.217 228 A C 2.213 179.786 177.584 -0.018 0.000 1.181 228 A CA 2.320 54.412 52.037 0.092 0.000 0.623 228 A CB -1.361 17.677 19.000 0.063 0.000 0.818 228 A HN 0.550 nan 8.150 nan 0.000 0.443 229 T N -0.260 114.281 114.554 -0.022 0.000 2.737 229 T HA -0.117 4.233 4.350 0.000 0.000 0.265 229 T C 1.159 175.837 174.700 -0.037 0.000 1.038 229 T CA 1.297 63.393 62.100 -0.006 0.000 1.144 229 T CB -0.420 68.446 68.868 -0.003 0.000 0.866 229 T HN 0.634 nan 8.240 nan 0.000 0.434 230 N N 1.897 120.548 118.700 -0.082 0.000 2.701 230 N HA -0.275 4.466 4.740 0.000 0.000 0.250 230 N C 0.009 175.485 175.510 -0.058 0.000 1.046 230 N CA 0.945 53.934 53.050 -0.102 0.000 0.733 230 N CB -2.131 36.253 38.487 -0.171 0.000 0.973 230 N HN 0.674 nan 8.380 nan 0.000 0.541 231 N N -1.778 116.899 118.700 -0.037 0.000 2.756 231 N HA -0.224 4.516 4.740 0.000 0.000 0.248 231 N C 0.893 176.385 175.510 -0.030 0.000 1.062 231 N CA 1.220 54.252 53.050 -0.030 0.000 0.696 231 N CB -1.288 37.181 38.487 -0.031 0.000 0.946 231 N HN 1.072 nan 8.380 nan 0.000 0.548 232 G N 0.472 109.260 108.800 -0.019 0.000 2.299 232 G HA2 -0.346 3.614 3.960 0.000 0.000 0.237 232 G HA3 -0.346 3.614 3.960 0.000 0.000 0.237 232 G C 0.008 174.903 174.900 -0.009 0.000 1.027 232 G CA 0.397 45.491 45.100 -0.011 0.000 0.619 232 G HN 0.635 nan 8.290 nan 0.000 0.513 233 N N 1.821 120.501 118.700 -0.034 0.000 3.124 233 N HA 0.323 5.063 4.740 0.000 0.000 0.284 233 N C 0.717 176.203 175.510 -0.040 0.000 1.209 233 N CA -0.729 52.286 53.050 -0.058 0.000 1.149 233 N CB -0.224 38.222 38.487 -0.067 0.000 1.434 233 N HN 0.256 nan 8.380 nan 0.000 0.529 234 I N 2.062 122.641 120.570 0.015 0.000 2.989 234 I HA -0.144 4.026 4.170 0.000 0.000 0.311 234 I C 0.765 176.987 176.117 0.175 0.000 1.221 234 I CA 1.132 62.503 61.300 0.117 0.000 1.449 234 I CB -0.249 37.910 38.000 0.265 0.000 1.325 234 I HN 0.382 nan 8.210 nan 0.000 0.557 235 R N 3.964 124.553 120.500 0.148 0.000 2.534 235 R HA 0.394 4.734 4.340 0.000 0.000 0.301 235 R C -0.396 176.072 176.300 0.280 0.000 0.961 235 R CA -0.693 55.522 56.100 0.192 0.000 0.871 235 R CB 1.952 32.217 30.300 -0.059 0.000 1.170 235 R HN 0.541 nan 8.270 nan 0.000 0.446 236 S N 1.436 117.310 115.700 0.290 0.000 2.531 236 S HA 0.504 4.974 4.470 0.000 0.000 0.279 236 S C -0.388 174.323 174.600 0.184 0.000 1.305 236 S CA -0.198 58.082 58.200 0.134 0.000 1.058 236 S CB 1.189 64.395 63.200 0.010 0.000 0.899 236 S HN 0.691 nan 8.310 nan 0.000 0.493 237 A N 3.081 126.010 122.820 0.180 0.000 2.610 237 A HA 0.834 5.154 4.320 0.000 0.000 0.291 237 A C -1.358 176.297 177.584 0.118 0.000 1.086 237 A CA -0.651 51.489 52.037 0.171 0.000 0.677 237 A CB 1.163 20.445 19.000 0.471 0.000 1.278 237 A HN 0.787 nan 8.150 nan 0.000 0.414 238 I N 0.234 120.688 120.570 -0.193 0.000 2.722 238 I HA 0.634 4.804 4.170 0.000 0.000 0.295 238 I C -1.221 174.663 176.117 -0.389 0.000 1.161 238 I CA -0.145 61.002 61.300 -0.255 0.000 1.032 238 I CB 2.447 40.363 38.000 -0.139 0.000 1.244 238 I HN 0.602 nan 8.210 nan 0.000 0.421 239 T N 6.205 120.505 114.554 -0.422 0.000 2.786 239 T HA 0.441 4.792 4.350 0.000 0.000 0.283 239 T C -0.735 173.684 174.700 -0.468 0.000 0.992 239 T CA -0.352 61.486 62.100 -0.437 0.000 0.954 239 T CB 1.448 70.022 68.868 -0.490 0.000 0.934 239 T HN 0.258 nan 8.240 nan 0.000 0.440 240 V N 5.130 124.736 119.914 -0.513 0.000 2.350 240 V HA 0.481 4.601 4.120 0.000 0.000 0.276 240 V C -0.362 175.419 176.094 -0.522 0.000 1.028 240 V CA -0.733 61.304 62.300 -0.437 0.000 0.860 240 V CB 0.011 31.541 31.823 -0.489 0.000 0.990 240 V HN 0.710 nan 8.190 nan 0.000 0.453 241 F N 4.982 124.871 119.950 -0.101 0.000 2.375 241 F HA 0.511 5.038 4.527 0.000 0.000 0.317 241 F C -1.861 173.861 175.800 -0.131 0.000 1.124 241 F CA -2.544 55.343 58.000 -0.187 0.000 1.050 241 F CB 0.368 39.281 39.000 -0.145 0.000 1.314 241 F HN 0.293 nan 8.300 nan 0.000 0.511 242 P HA -0.054 nan 4.420 nan 0.000 0.260 242 P C -1.030 176.263 177.300 -0.013 0.000 1.172 242 P CA 0.095 63.071 63.100 -0.207 0.000 0.760 242 P CB 0.080 31.423 31.700 -0.594 0.000 0.773 243 Q N 3.565 123.314 119.800 -0.085 0.000 2.432 243 Q HA 0.033 4.373 4.340 0.000 0.000 0.264 243 Q C 0.206 176.080 176.000 -0.210 0.000 1.035 243 Q CA -0.450 55.050 55.803 -0.504 0.000 0.908 243 Q CB 0.687 28.836 28.738 -0.982 0.000 1.280 243 Q HN 0.342 nan 8.270 nan 0.000 0.455 244 R N 1.508 121.887 120.500 -0.202 0.000 2.522 244 R HA -0.021 4.319 4.340 0.000 0.000 0.284 244 R C 0.119 176.384 176.300 -0.058 0.000 1.032 244 R CA 0.772 56.839 56.100 -0.054 0.000 1.049 244 R CB 0.537 30.803 30.300 -0.057 0.000 0.956 244 R HN 0.955 nan 8.270 nan 0.000 0.422 245 S N 2.688 118.403 115.700 0.024 0.000 2.696 245 S HA -0.057 4.413 4.470 0.000 0.000 0.172 245 S C 1.037 175.650 174.600 0.021 0.000 0.767 245 S CA 0.311 58.530 58.200 0.033 0.000 0.856 245 S CB -0.171 63.092 63.200 0.104 0.000 0.782 245 S HN 0.837 nan 8.310 nan 0.000 0.582 246 D N 0.092 120.511 120.400 0.032 0.000 2.346 246 D HA 0.254 4.894 4.640 0.000 0.000 0.206 246 D C 1.507 177.776 176.300 -0.052 0.000 1.001 246 D CA 1.099 55.090 54.000 -0.016 0.000 0.871 246 D CB 0.007 40.787 40.800 -0.034 0.000 0.943 246 D HN 0.843 nan 8.370 nan 0.000 0.518 247 G N 1.059 109.829 108.800 -0.049 0.000 2.284 247 G HA2 -0.265 3.695 3.960 0.000 0.000 0.216 247 G HA3 -0.265 3.695 3.960 0.000 0.000 0.216 247 G C 1.107 175.953 174.900 -0.089 0.000 1.009 247 G CA 0.169 45.237 45.100 -0.054 0.000 0.625 247 G HN 0.366 nan 8.290 nan 0.000 0.501 248 K N 0.080 120.359 120.400 -0.202 0.000 2.404 248 K HA 0.229 4.549 4.320 0.000 0.000 0.194 248 K C 0.551 176.958 176.600 -0.321 0.000 1.023 248 K CA 0.367 56.480 56.287 -0.289 0.000 1.094 248 K CB 0.114 32.382 32.500 -0.387 0.000 0.841 248 K HN 0.645 nan 8.250 nan 0.000 0.523 249 H N 0.273 119.345 119.070 0.004 0.000 2.562 249 H HA 0.146 4.702 4.556 0.000 0.000 0.249 249 H C -0.895 174.441 175.328 0.013 0.000 1.195 249 H CA -0.794 55.249 56.048 -0.008 0.000 0.938 249 H CB 0.481 30.261 29.762 0.029 0.000 1.891 249 H HN -0.018 nan 8.280 nan 0.000 0.595 250 D N 0.661 121.122 120.400 0.103 0.000 2.414 250 D HA 0.007 4.647 4.640 0.000 0.000 0.242 250 D C -0.122 176.219 176.300 0.067 0.000 1.129 250 D CA 0.470 54.552 54.000 0.137 0.000 0.885 250 D CB 0.666 41.522 40.800 0.093 0.000 1.198 250 D HN 0.143 nan 8.370 nan 0.000 0.437 251 F N 2.200 122.195 119.950 0.075 0.000 2.408 251 F HA 0.402 4.929 4.527 0.000 0.000 0.344 251 F C 0.916 176.743 175.800 0.045 0.000 1.112 251 F CA -0.308 57.713 58.000 0.036 0.000 1.096 251 F CB 0.906 39.921 39.000 0.026 0.000 1.129 251 F HN -0.142 nan 8.300 nan 0.000 0.486 252 R N 3.435 124.026 120.500 0.152 0.000 2.626 252 R HA 0.502 4.842 4.340 0.000 0.000 0.274 252 R C -1.842 174.590 176.300 0.220 0.000 1.031 252 R CA -1.101 55.109 56.100 0.184 0.000 0.898 252 R CB 2.228 32.651 30.300 0.205 0.000 1.222 252 R HN 0.488 nan 8.270 nan 0.000 0.455 253 L N 1.722 123.064 121.223 0.198 0.000 2.272 253 L HA 0.368 4.708 4.340 0.000 0.000 0.289 253 L C 0.628 177.699 176.870 0.335 0.000 1.032 253 L CA -0.157 54.810 54.840 0.212 0.000 0.810 253 L CB 0.828 42.956 42.059 0.114 0.000 1.205 253 L HN 0.575 nan 8.230 nan 0.000 0.422 254 W N 0.682 122.029 121.300 0.077 0.000 2.800 254 W HA 0.055 4.715 4.660 0.000 0.000 0.249 254 W C 0.611 177.104 176.519 -0.044 0.000 1.294 254 W CA -0.535 56.911 57.345 0.169 0.000 1.402 254 W CB -0.943 28.762 29.460 0.407 0.000 1.126 254 W HN 0.488 nan 8.180 nan 0.000 0.652 255 N N -0.542 118.211 118.700 0.089 0.000 2.482 255 N HA 0.041 4.781 4.740 0.000 0.000 0.260 255 N C 1.175 176.539 175.510 -0.244 0.000 1.236 255 N CA 0.395 53.280 53.050 -0.275 0.000 0.938 255 N CB 0.816 39.285 38.487 -0.030 0.000 1.128 255 N HN -0.301 nan 8.380 nan 0.000 0.448 256 S N 0.052 115.565 115.700 -0.312 0.000 2.355 256 S HA -0.095 4.375 4.470 0.000 0.000 0.222 256 S C 0.322 174.850 174.600 -0.119 0.000 1.031 256 S CA 1.122 59.224 58.200 -0.164 0.000 0.993 256 S CB -0.173 62.961 63.200 -0.111 0.000 0.859 256 S HN 0.722 nan 8.310 nan 0.000 0.453 257 Q N -0.945 118.784 119.800 -0.119 0.000 2.456 257 Q HA 0.468 4.808 4.340 0.000 0.000 0.284 257 Q C -0.129 175.793 176.000 -0.129 0.000 1.061 257 Q CA -0.918 54.814 55.803 -0.119 0.000 0.799 257 Q CB 0.798 29.494 28.738 -0.069 0.000 1.445 257 Q HN -0.115 nan 8.270 nan 0.000 0.411 258 L N 0.538 121.688 121.223 -0.122 0.000 1.978 258 L HA -0.038 4.302 4.340 0.000 0.000 0.218 258 L C 0.806 177.571 176.870 -0.175 0.000 1.075 258 L CA 1.876 56.656 54.840 -0.099 0.000 0.767 258 L CB -0.409 41.602 42.059 -0.079 0.000 0.890 258 L HN 0.639 nan 8.230 nan 0.000 0.434 259 I N -1.039 119.335 120.570 -0.328 0.000 2.362 259 I HA 0.389 4.560 4.170 0.000 0.000 0.289 259 I C -0.061 175.433 176.117 -1.038 0.000 0.994 259 I CA -0.487 60.450 61.300 -0.605 0.000 1.158 259 I CB 1.570 39.187 38.000 -0.638 0.000 1.315 259 I HN 0.039 nan 8.210 nan 0.000 0.451 260 R N 4.547 124.579 120.500 -0.780 0.000 2.680 260 R HA 0.511 4.851 4.340 0.000 0.000 0.269 260 R C -1.900 174.192 176.300 -0.347 0.000 1.026 260 R CA -0.682 55.065 56.100 -0.588 0.000 0.889 260 R CB 1.298 31.483 30.300 -0.191 0.000 1.241 260 R HN 0.263 nan 8.270 nan 0.000 0.463 261 Y N 0.981 121.287 120.300 0.011 0.000 2.320 261 Y HA 0.628 5.178 4.550 0.000 0.000 0.324 261 Y C 0.696 176.603 175.900 0.012 0.000 1.190 261 Y CA -0.679 57.463 58.100 0.070 0.000 1.215 261 Y CB 1.564 40.167 38.460 0.238 0.000 1.221 261 Y HN 0.742 nan 8.280 nan 0.000 0.486 262 A N 1.313 124.213 122.820 0.132 0.000 2.386 262 A HA 0.610 4.930 4.320 0.000 0.000 0.248 262 A C 0.469 177.847 177.584 -0.343 0.000 1.082 262 A CA 0.282 52.202 52.037 -0.195 0.000 0.789 262 A CB -0.206 18.629 19.000 -0.276 0.000 1.025 262 A HN 0.937 nan 8.150 nan 0.000 0.490 263 G N 0.692 109.200 108.800 -0.486 0.000 2.760 263 G HA2 0.572 4.532 3.960 0.000 0.000 0.285 263 G HA3 0.572 4.532 3.960 0.000 0.000 0.285 263 G C -1.188 173.498 174.900 -0.358 0.000 1.496 263 G CA -0.293 44.598 45.100 -0.349 0.000 1.026 263 G HN 0.546 nan 8.290 nan 0.000 0.536 264 Y N 0.183 120.516 120.300 0.056 0.000 2.468 264 Y HA 0.572 5.122 4.550 0.000 0.000 0.342 264 Y C 0.406 176.356 175.900 0.084 0.000 1.021 264 Y CA -1.270 56.885 58.100 0.091 0.000 1.079 264 Y CB 2.130 40.696 38.460 0.177 0.000 1.226 264 Y HN 0.479 nan 8.280 nan 0.000 0.460 265 Q N 3.326 123.270 119.800 0.240 0.000 2.361 265 Q HA 0.311 4.651 4.340 0.000 0.000 0.250 265 Q C -0.737 175.344 176.000 0.136 0.000 1.023 265 Q CA -0.682 55.207 55.803 0.144 0.000 0.915 265 Q CB 0.484 29.278 28.738 0.094 0.000 1.238 265 Q HN 0.561 nan 8.270 nan 0.000 0.451 266 M N 5.320 124.980 119.600 0.099 0.000 2.232 266 M HA 0.076 4.556 4.480 0.000 0.000 0.321 266 M C -1.429 174.875 176.300 0.005 0.000 1.101 266 M CA -1.977 53.343 55.300 0.034 0.000 1.181 266 M CB -0.205 32.403 32.600 0.014 0.000 1.432 266 M HN 0.541 nan 8.290 nan 0.000 0.457 267 P HA -0.159 nan 4.420 nan 0.000 0.217 267 P C 0.362 177.649 177.300 -0.022 0.000 1.150 267 P CA 1.407 64.486 63.100 -0.034 0.000 0.832 267 P CB -0.256 31.404 31.700 -0.065 0.000 0.787 268 D N -0.822 119.563 120.400 -0.024 0.000 2.395 268 D HA 0.032 4.672 4.640 0.000 0.000 0.250 268 D C 1.328 177.626 176.300 -0.004 0.000 1.203 268 D CA 0.586 54.576 54.000 -0.016 0.000 0.872 268 D CB -0.850 39.937 40.800 -0.021 0.000 0.941 268 D HN 0.274 nan 8.370 nan 0.000 0.504 269 G N 0.869 109.671 108.800 0.003 0.000 2.396 269 G HA2 -0.387 3.573 3.960 0.000 0.000 0.242 269 G HA3 -0.387 3.573 3.960 0.000 0.000 0.242 269 G C 0.781 175.692 174.900 0.018 0.000 1.069 269 G CA 0.877 45.984 45.100 0.011 0.000 0.633 269 G HN 0.747 nan 8.290 nan 0.000 0.517 270 T N -0.615 113.949 114.554 0.017 0.000 2.681 270 T HA 0.608 4.958 4.350 0.000 0.000 0.333 270 T C 0.488 175.208 174.700 0.034 0.000 1.049 270 T CA 0.345 62.458 62.100 0.022 0.000 1.002 270 T CB 1.225 70.103 68.868 0.017 0.000 1.161 270 T HN 0.807 nan 8.240 nan 0.000 0.519 271 I N 0.076 120.666 120.570 0.032 0.000 2.534 271 I HA 0.432 4.603 4.170 0.000 0.000 0.288 271 I C 0.058 176.193 176.117 0.031 0.000 1.077 271 I CA -0.861 60.464 61.300 0.041 0.000 1.051 271 I CB 2.299 40.308 38.000 0.016 0.000 1.234 271 I HN 0.567 nan 8.210 nan 0.000 0.425 272 R N 3.312 123.863 120.500 0.086 0.000 2.532 272 R HA 0.711 5.051 4.340 0.000 0.000 0.295 272 R C 0.305 176.613 176.300 0.014 0.000 0.968 272 R CA 0.346 56.494 56.100 0.080 0.000 0.916 272 R CB 1.829 32.242 30.300 0.189 0.000 1.124 272 R HN 0.930 nan 8.270 nan 0.000 0.463 273 G N 2.416 111.137 108.800 -0.133 0.000 2.645 273 G HA2 -0.280 3.680 3.960 0.000 0.000 0.239 273 G HA3 -0.280 3.680 3.960 0.000 0.000 0.239 273 G C -0.818 173.739 174.900 -0.572 0.000 1.331 273 G CA -0.216 44.717 45.100 -0.278 0.000 0.890 273 G HN 0.657 nan 8.290 nan 0.000 0.572 274 D N 1.431 121.602 120.400 -0.381 0.000 2.356 274 D HA 0.430 5.070 4.640 0.000 0.000 0.272 274 D C 1.590 177.818 176.300 -0.120 0.000 1.337 274 D CA 0.974 54.832 54.000 -0.237 0.000 0.970 274 D CB 0.558 41.521 40.800 0.272 0.000 1.092 274 D HN 0.973 nan 8.370 nan 0.000 0.516 275 A N 3.892 126.627 122.820 -0.141 0.000 2.125 275 A HA -0.060 4.260 4.320 0.000 0.000 0.219 275 A C 2.063 179.653 177.584 0.011 0.000 1.156 275 A CA 1.514 53.521 52.037 -0.051 0.000 0.671 275 A CB -0.130 18.848 19.000 -0.037 0.000 0.794 275 A HN 0.607 nan 8.150 nan 0.000 0.459 276 A N -0.292 122.558 122.820 0.050 0.000 2.014 276 A HA 0.016 4.336 4.320 0.000 0.000 0.218 276 A C 2.009 179.642 177.584 0.081 0.000 1.163 276 A CA 1.814 53.899 52.037 0.080 0.000 0.652 276 A CB -0.833 18.239 19.000 0.120 0.000 0.808 276 A HN 0.750 nan 8.150 nan 0.000 0.449 277 T N -2.576 112.023 114.554 0.074 0.000 3.273 277 T HA 0.424 4.774 4.350 0.000 0.000 0.254 277 T C 1.246 175.964 174.700 0.030 0.000 1.002 277 T CA -0.126 62.025 62.100 0.084 0.000 0.913 277 T CB -0.255 68.677 68.868 0.107 0.000 1.056 277 T HN 0.235 nan 8.240 nan 0.000 0.576 278 L N 0.594 121.824 121.223 0.012 0.000 1.976 278 L HA -0.056 4.284 4.340 0.000 0.000 0.209 278 L C 2.967 179.825 176.870 -0.020 0.000 1.071 278 L CA 1.961 56.793 54.840 -0.013 0.000 0.746 278 L CB -0.336 41.728 42.059 0.009 0.000 0.890 278 L HN 0.437 nan 8.230 nan 0.000 0.432 279 E N -0.442 119.757 120.200 -0.002 0.000 2.077 279 E HA -0.295 4.055 4.350 0.000 0.000 0.193 279 E C 2.161 178.675 176.600 -0.143 0.000 0.989 279 E CA 1.449 57.817 56.400 -0.052 0.000 0.800 279 E CB -0.148 29.546 29.700 -0.010 0.000 0.746 279 E HN 0.360 nan 8.360 nan 0.000 0.452 280 F N 1.432 121.212 119.950 -0.284 0.000 2.171 280 F HA -0.141 4.386 4.527 0.000 0.000 0.300 280 F C 2.250 177.890 175.800 -0.266 0.000 1.090 280 F CA 1.772 59.547 58.000 -0.375 0.000 1.293 280 F CB -0.554 38.295 39.000 -0.252 0.000 1.013 280 F HN -0.022 nan 8.300 nan 0.000 0.486 281 T N -0.414 113.997 114.554 -0.239 0.000 2.746 281 T HA -0.245 4.105 4.350 0.000 0.000 0.267 281 T C 1.771 176.351 174.700 -0.200 0.000 1.039 281 T CA 1.588 63.511 62.100 -0.294 0.000 1.142 281 T CB -0.323 68.402 68.868 -0.237 0.000 0.866 281 T HN 0.211 nan 8.240 nan 0.000 0.444 282 Q N 0.690 120.405 119.800 -0.141 0.000 2.124 282 Q HA -0.037 4.304 4.340 0.000 0.000 0.202 282 Q C 2.092 178.008 176.000 -0.140 0.000 0.977 282 Q CA 1.093 56.847 55.803 -0.082 0.000 0.850 282 Q CB -0.680 28.023 28.738 -0.058 0.000 0.901 282 Q HN 0.431 nan 8.270 nan 0.000 0.429 283 L N -0.531 120.538 121.223 -0.256 0.000 2.046 283 L HA -0.172 4.168 4.340 0.000 0.000 0.208 283 L C 2.063 178.780 176.870 -0.255 0.000 1.077 283 L CA 1.775 56.459 54.840 -0.260 0.000 0.747 283 L CB -0.849 40.984 42.059 -0.377 0.000 0.896 283 L HN 0.365 nan 8.230 nan 0.000 0.432 284 C N -0.554 118.508 119.300 -0.396 0.000 2.440 284 C HA -0.112 4.348 4.460 0.000 0.000 0.278 284 C C 2.679 177.661 174.990 -0.014 0.000 1.295 284 C CA 0.362 59.192 59.018 -0.315 0.000 1.738 284 C CB -0.918 26.483 27.740 -0.566 0.000 1.987 284 C HN 0.558 nan 8.230 nan 0.000 0.492 285 I N 1.614 122.210 120.570 0.043 0.000 2.179 285 I HA -0.146 4.024 4.170 0.000 0.000 0.242 285 I C 2.053 178.177 176.117 0.011 0.000 1.088 285 I CA 1.798 63.149 61.300 0.084 0.000 1.357 285 I CB -1.615 36.425 38.000 0.066 0.000 1.051 285 I HN 0.321 nan 8.210 nan 0.000 0.409 286 D N 0.869 121.250 120.400 -0.031 0.000 2.149 286 D HA -0.133 4.507 4.640 0.000 0.000 0.198 286 D C 2.017 178.286 176.300 -0.052 0.000 0.990 286 D CA 0.970 54.939 54.000 -0.051 0.000 0.839 286 D CB -0.241 40.514 40.800 -0.074 0.000 0.948 286 D HN 0.318 nan 8.370 nan 0.000 0.460 287 L N -0.504 120.691 121.223 -0.046 0.000 2.645 287 L HA 0.238 4.578 4.340 0.000 0.000 0.234 287 L C 1.073 177.924 176.870 -0.033 0.000 1.165 287 L CA 0.103 54.916 54.840 -0.044 0.000 0.944 287 L CB -0.313 41.705 42.059 -0.067 0.000 1.149 287 L HN 0.099 nan 8.230 nan 0.000 0.446 288 G N -0.566 108.227 108.800 -0.012 0.000 2.171 288 G HA2 -0.295 3.665 3.960 0.000 0.000 0.238 288 G HA3 -0.295 3.665 3.960 0.000 0.000 0.238 288 G C -0.404 174.517 174.900 0.034 0.000 1.039 288 G CA -0.297 44.796 45.100 -0.011 0.000 0.759 288 G HN 0.409 nan 8.290 nan 0.000 0.501 289 W N 1.591 122.815 121.300 -0.126 0.000 2.376 289 W HA 0.683 5.343 4.660 0.000 0.000 0.322 289 W C 0.256 176.715 176.519 -0.100 0.000 1.160 289 W CA -1.365 55.907 57.345 -0.122 0.000 1.218 289 W CB 0.811 30.184 29.460 -0.144 0.000 1.205 289 W HN -0.015 nan 8.180 nan 0.000 0.559 290 K N 7.849 127.740 120.400 -0.847 0.000 2.262 290 K HA 0.164 4.484 4.320 0.000 0.000 0.288 290 K C -2.339 173.463 176.600 -1.331 0.000 1.090 290 K CA -1.648 54.155 56.287 -0.808 0.000 0.918 290 K CB 0.300 32.477 32.500 -0.538 0.000 1.139 290 K HN 0.316 nan 8.250 nan 0.000 0.462 291 P HA 0.172 nan 4.420 nan 0.000 0.274 291 P C -0.155 176.654 177.300 -0.818 0.000 1.291 291 P CA -0.283 62.219 63.100 -0.997 0.000 0.815 291 P CB 0.568 31.727 31.700 -0.901 0.000 0.897 292 R N 2.127 122.300 120.500 -0.544 0.000 2.339 292 R HA 0.008 4.348 4.340 0.000 0.000 0.199 292 R C 0.044 176.255 176.300 -0.149 0.000 1.018 292 R CA 0.020 55.976 56.100 -0.240 0.000 1.036 292 R CB -1.181 29.072 30.300 -0.079 0.000 0.899 292 R HN 0.406 nan 8.270 nan 0.000 0.473 293 Y N -0.800 119.206 120.300 -0.491 0.000 2.983 293 Y HA -0.227 4.323 4.550 0.000 0.000 0.185 293 Y C 0.807 176.580 175.900 -0.211 0.000 1.476 293 Y CA 0.783 58.448 58.100 -0.725 0.000 0.866 293 Y CB -1.604 36.529 38.460 -0.546 0.000 1.331 293 Y HN 0.287 nan 8.280 nan 0.000 0.403 294 G N 0.041 108.967 108.800 0.210 0.000 2.866 294 G HA2 0.605 4.565 3.960 0.000 0.000 0.289 294 G HA3 0.605 4.565 3.960 0.000 0.000 0.289 294 G C 0.275 175.275 174.900 0.167 0.000 1.396 294 G CA -0.975 44.230 45.100 0.175 0.000 0.848 294 G HN 0.189 nan 8.290 nan 0.000 0.515 295 R N -1.273 119.199 120.500 -0.046 0.000 2.119 295 R HA 0.124 4.464 4.340 0.000 0.000 0.222 295 R C 0.052 175.942 176.300 -0.684 0.000 1.088 295 R CA 1.041 56.925 56.100 -0.360 0.000 0.984 295 R CB -0.020 29.936 30.300 -0.573 0.000 0.884 295 R HN 0.326 nan 8.270 nan 0.000 0.447 296 F N 0.933 120.824 119.950 -0.098 0.000 2.597 296 F HA 0.257 4.784 4.527 0.000 0.000 0.336 296 F C -0.781 174.866 175.800 -0.255 0.000 1.432 296 F CA -1.209 56.423 58.000 -0.613 0.000 1.120 296 F CB 0.577 39.092 39.000 -0.808 0.000 1.253 296 F HN -0.298 nan 8.300 nan 0.000 0.546 297 D N 1.702 122.209 120.400 0.178 0.000 2.380 297 D HA 0.166 4.806 4.640 0.000 0.000 0.230 297 D C 0.221 176.780 176.300 0.432 0.000 1.154 297 D CA 0.093 54.298 54.000 0.343 0.000 0.859 297 D CB 2.019 43.088 40.800 0.449 0.000 1.045 297 D HN -0.041 nan 8.370 nan 0.000 0.495 298 V N 4.059 124.226 119.914 0.422 0.000 2.509 298 V HA -0.086 4.034 4.120 0.000 0.000 0.297 298 V C 1.167 177.338 176.094 0.129 0.000 1.014 298 V CA 0.042 62.502 62.300 0.265 0.000 1.127 298 V CB -0.087 31.839 31.823 0.171 0.000 0.925 298 V HN 0.354 nan 8.190 nan 0.000 0.480 299 L N 8.507 129.694 121.223 -0.060 0.000 2.473 299 L HA 0.294 4.634 4.340 0.000 0.000 0.268 299 L C -1.682 174.991 176.870 -0.329 0.000 1.215 299 L CA -1.265 53.359 54.840 -0.359 0.000 0.823 299 L CB 0.696 42.596 42.059 -0.265 0.000 1.099 299 L HN 0.481 nan 8.230 nan 0.000 0.483 300 P HA 0.127 nan 4.420 nan 0.000 0.281 300 P C -0.967 176.233 177.300 -0.166 0.000 1.249 300 P CA -0.723 62.169 63.100 -0.346 0.000 0.810 300 P CB 1.279 32.635 31.700 -0.575 0.000 1.008 301 L N 3.058 124.267 121.223 -0.023 0.000 2.418 301 L HA 0.096 4.437 4.340 0.000 0.000 0.274 301 L C 0.140 177.049 176.870 0.064 0.000 1.135 301 L CA 0.045 54.929 54.840 0.074 0.000 0.870 301 L CB 0.254 42.401 42.059 0.147 0.000 1.154 301 L HN 0.123 nan 8.230 nan 0.000 0.462 302 V N 6.791 126.766 119.914 0.102 0.000 2.294 302 V HA 0.355 4.475 4.120 0.000 0.000 0.272 302 V C 0.146 176.226 176.094 -0.022 0.000 1.027 302 V CA -0.535 61.765 62.300 -0.001 0.000 0.823 302 V CB 0.800 32.667 31.823 0.072 0.000 1.030 302 V HN 0.461 nan 8.190 nan 0.000 0.457 303 L N 5.575 126.783 121.223 -0.026 0.000 2.307 303 L HA 0.678 5.018 4.340 0.000 0.000 0.284 303 L C -0.100 176.674 176.870 -0.160 0.000 1.023 303 L CA -0.630 54.192 54.840 -0.031 0.000 0.810 303 L CB 1.778 43.884 42.059 0.077 0.000 1.231 303 L HN 0.741 nan 8.230 nan 0.000 0.423 304 Q N 2.508 122.209 119.800 -0.165 0.000 2.327 304 Q HA 0.801 5.141 4.340 0.000 0.000 0.270 304 Q C -1.273 174.591 176.000 -0.226 0.000 1.022 304 Q CA -0.642 55.038 55.803 -0.204 0.000 0.773 304 Q CB 2.248 30.875 28.738 -0.185 0.000 1.251 304 Q HN 0.665 nan 8.270 nan 0.000 0.457 305 A N 2.477 125.107 122.820 -0.318 0.000 2.294 305 A HA 0.519 4.839 4.320 0.000 0.000 0.330 305 A C -0.149 176.965 177.584 -0.783 0.000 1.133 305 A CA -0.402 51.195 52.037 -0.733 0.000 0.836 305 A CB 0.703 19.475 19.000 -0.380 0.000 1.190 305 A HN 0.973 nan 8.150 nan 0.000 0.492 306 D N -0.054 119.518 120.400 -1.380 0.000 2.764 306 D HA -0.119 4.521 4.640 0.000 0.000 0.223 306 D C 1.325 177.528 176.300 -0.162 0.000 1.207 306 D CA 2.692 56.360 54.000 -0.553 0.000 0.614 306 D CB -1.084 39.553 40.800 -0.272 0.000 1.007 306 D HN 1.820 nan 8.370 nan 0.000 0.407 307 G N -0.933 107.782 108.800 -0.141 0.000 2.189 307 G HA2 -0.386 3.575 3.960 0.000 0.000 0.267 307 G HA3 -0.386 3.575 3.960 0.000 0.000 0.267 307 G C 0.467 175.380 174.900 0.022 0.000 0.975 307 G CA 0.713 45.821 45.100 0.013 0.000 0.644 307 G HN 0.561 nan 8.290 nan 0.000 0.537 308 Q N 0.877 120.646 119.800 -0.051 0.000 2.584 308 Q HA 0.257 4.597 4.340 0.000 0.000 0.218 308 Q C 0.107 176.089 176.000 -0.030 0.000 1.079 308 Q CA 0.036 55.811 55.803 -0.046 0.000 1.008 308 Q CB 0.394 29.082 28.738 -0.082 0.000 1.267 308 Q HN 0.456 nan 8.270 nan 0.000 0.586 309 D N 2.060 122.419 120.400 -0.068 0.000 2.341 309 D HA 0.187 4.828 4.640 0.000 0.000 0.245 309 D C -2.022 174.084 176.300 -0.323 0.000 1.106 309 D CA -1.148 52.744 54.000 -0.180 0.000 0.905 309 D CB 0.196 40.929 40.800 -0.110 0.000 1.202 309 D HN 0.227 nan 8.370 nan 0.000 0.426 310 P HA 0.072 nan 4.420 nan 0.000 0.268 310 P C -0.618 176.443 177.300 -0.398 0.000 1.204 310 P CA 0.055 62.752 63.100 -0.672 0.000 0.768 310 P CB 0.953 31.827 31.700 -1.376 0.000 0.842 311 E N 1.240 121.259 120.200 -0.301 0.000 2.166 311 E HA 0.329 4.679 4.350 0.000 0.000 0.275 311 E C -0.568 175.750 176.600 -0.470 0.000 0.941 311 E CA -1.125 55.062 56.400 -0.355 0.000 0.784 311 E CB 1.766 31.284 29.700 -0.304 0.000 1.115 311 E HN 0.196 nan 8.360 nan 0.000 0.399 312 V N 4.298 123.883 119.914 -0.547 0.000 2.432 312 V HA 0.248 4.368 4.120 0.000 0.000 0.271 312 V C -0.620 175.058 176.094 -0.694 0.000 1.046 312 V CA -0.152 61.877 62.300 -0.451 0.000 0.945 312 V CB -0.217 31.446 31.823 -0.267 0.000 0.992 312 V HN 0.505 nan 8.190 nan 0.000 0.471 313 F N 2.365 122.128 119.950 -0.313 0.000 2.507 313 F HA 0.473 5.000 4.527 0.000 0.000 0.328 313 F C 0.235 175.826 175.800 -0.349 0.000 1.136 313 F CA -0.852 56.831 58.000 -0.529 0.000 0.930 313 F CB 1.698 40.020 39.000 -1.130 0.000 1.166 313 F HN 0.425 nan 8.300 nan 0.000 0.436 314 E N 3.319 123.498 120.200 -0.036 0.000 2.360 314 E HA 0.289 4.639 4.350 0.000 0.000 0.269 314 E C -0.553 176.151 176.600 0.174 0.000 1.022 314 E CA 0.025 56.490 56.400 0.108 0.000 0.887 314 E CB 0.561 30.359 29.700 0.163 0.000 0.990 314 E HN 0.461 nan 8.360 nan 0.000 0.426 315 I N 6.904 127.593 120.570 0.198 0.000 2.416 315 I HA 0.171 4.341 4.170 0.000 0.000 0.288 315 I C -1.834 174.410 176.117 0.212 0.000 1.051 315 I CA -2.081 59.374 61.300 0.258 0.000 1.375 315 I CB 0.851 38.944 38.000 0.155 0.000 1.407 315 I HN 0.436 nan 8.210 nan 0.000 0.516 316 P HA 0.047 nan 4.420 nan 0.000 0.261 316 P C -2.003 175.356 177.300 0.099 0.000 1.203 316 P CA -0.737 62.451 63.100 0.146 0.000 0.767 316 P CB 0.157 31.921 31.700 0.106 0.000 0.785 317 P HA -0.222 nan 4.420 nan 0.000 0.217 317 P C 0.844 178.178 177.300 0.056 0.000 1.148 317 P CA 1.416 64.564 63.100 0.080 0.000 0.834 317 P CB -0.028 31.720 31.700 0.080 0.000 0.783 318 D N -1.273 119.155 120.400 0.046 0.000 2.309 318 D HA -0.068 4.572 4.640 0.000 0.000 0.212 318 D C 1.700 178.012 176.300 0.020 0.000 0.968 318 D CA 0.895 54.912 54.000 0.029 0.000 0.882 318 D CB -0.064 40.749 40.800 0.022 0.000 0.918 318 D HN 0.287 nan 8.370 nan 0.000 0.503 319 L N 0.158 121.395 121.223 0.023 0.000 2.416 319 L HA 0.053 4.393 4.340 0.000 0.000 0.216 319 L C 0.707 177.584 176.870 0.012 0.000 1.098 319 L CA 0.148 54.993 54.840 0.010 0.000 0.840 319 L CB 0.554 42.614 42.059 0.001 0.000 0.981 319 L HN -0.234 nan 8.230 nan 0.000 0.462 320 V N 2.671 122.601 119.914 0.025 0.000 2.313 320 V HA 0.079 4.200 4.120 0.000 0.000 0.252 320 V C 0.119 176.235 176.094 0.037 0.000 1.112 320 V CA -0.362 61.954 62.300 0.026 0.000 0.984 320 V CB 0.532 32.375 31.823 0.034 0.000 1.157 320 V HN 0.076 nan 8.190 nan 0.000 0.493 321 L N 5.403 126.645 121.223 0.031 0.000 2.367 321 L HA 0.424 4.764 4.340 0.000 0.000 0.275 321 L C 0.182 177.067 176.870 0.025 0.000 1.129 321 L CA 0.757 55.608 54.840 0.018 0.000 0.839 321 L CB 0.450 42.513 42.059 0.006 0.000 1.133 321 L HN 0.639 nan 8.230 nan 0.000 0.453 322 E N 3.251 123.446 120.200 -0.008 0.000 2.336 322 E HA 0.586 4.936 4.350 0.000 0.000 0.267 322 E C -1.451 175.068 176.600 -0.135 0.000 0.906 322 E CA -1.052 55.332 56.400 -0.028 0.000 0.781 322 E CB 2.463 32.177 29.700 0.024 0.000 1.261 322 E HN 0.381 nan 8.360 nan 0.000 0.436 323 V N 1.761 121.545 119.914 -0.216 0.000 2.409 323 V HA 0.267 4.387 4.120 0.000 0.000 0.291 323 V C -0.118 175.891 176.094 -0.141 0.000 1.020 323 V CA -0.749 61.364 62.300 -0.311 0.000 0.848 323 V CB 1.566 32.921 31.823 -0.780 0.000 0.990 323 V HN 0.832 nan 8.190 nan 0.000 0.430 324 T N 3.683 118.180 114.554 -0.094 0.000 2.817 324 T HA 0.514 4.864 4.350 0.000 0.000 0.293 324 T C -0.112 174.606 174.700 0.031 0.000 0.964 324 T CA -0.816 61.263 62.100 -0.035 0.000 1.085 324 T CB 0.788 69.641 68.868 -0.025 0.000 0.921 324 T HN 0.291 nan 8.240 nan 0.000 0.502 325 M N 4.132 123.790 119.600 0.097 0.000 2.184 325 M HA 0.289 4.769 4.480 0.000 0.000 0.351 325 M C 0.396 176.874 176.300 0.297 0.000 1.395 325 M CA -0.099 55.337 55.300 0.227 0.000 1.117 325 M CB -0.462 32.345 32.600 0.344 0.000 1.708 325 M HN 0.925 nan 8.290 nan 0.000 0.468 326 E N 1.919 122.278 120.200 0.265 0.000 2.304 326 E HA 0.319 4.669 4.350 0.000 0.000 0.277 326 E C -1.139 175.529 176.600 0.114 0.000 0.898 326 E CA -0.819 55.739 56.400 0.264 0.000 0.764 326 E CB 1.566 31.375 29.700 0.182 0.000 1.216 326 E HN 0.573 nan 8.360 nan 0.000 0.419 327 H N 4.315 123.293 119.070 -0.154 0.000 2.652 327 H HA 0.128 4.684 4.556 0.000 0.000 0.349 327 H C -1.527 173.618 175.328 -0.305 0.000 1.099 327 H CA -1.719 54.081 56.048 -0.413 0.000 1.417 327 H CB 1.616 30.986 29.762 -0.652 0.000 1.457 327 H HN 0.487 nan 8.280 nan 0.000 0.568 328 P HA -0.042 nan 4.420 nan 0.000 0.242 328 P C 0.411 177.670 177.300 -0.069 0.000 1.197 328 P CA 0.840 63.611 63.100 -0.547 0.000 0.765 328 P CB 0.735 31.859 31.700 -0.960 0.000 0.936 329 K N -1.942 118.596 120.400 0.229 0.000 2.631 329 K HA 0.136 4.456 4.320 0.000 0.000 0.200 329 K C 0.142 176.827 176.600 0.142 0.000 1.481 329 K CA 0.372 56.773 56.287 0.190 0.000 1.087 329 K CB 0.093 32.755 32.500 0.270 0.000 1.502 329 K HN 0.069 nan 8.250 nan 0.000 0.560 330 Y N 3.422 123.518 120.300 -0.341 0.000 2.600 330 Y HA 0.187 4.737 4.550 0.000 0.000 0.351 330 Y C 1.257 176.881 175.900 -0.460 0.000 1.042 330 Y CA -0.760 56.989 58.100 -0.587 0.000 1.333 330 Y CB 0.528 38.266 38.460 -1.204 0.000 1.172 330 Y HN -0.058 nan 8.280 nan 0.000 0.517 331 E N 2.619 122.770 120.200 -0.082 0.000 2.338 331 E HA -0.168 4.182 4.350 0.000 0.000 0.197 331 E C 1.712 178.360 176.600 0.081 0.000 1.007 331 E CA 0.649 57.064 56.400 0.024 0.000 0.849 331 E CB -0.156 29.588 29.700 0.074 0.000 0.774 331 E HN 0.890 nan 8.360 nan 0.000 0.506 332 W N -0.791 120.606 121.300 0.161 0.000 2.800 332 W HA 0.048 4.708 4.660 0.000 0.000 0.249 332 W C 1.475 178.086 176.519 0.153 0.000 1.294 332 W CA -0.351 57.069 57.345 0.125 0.000 1.402 332 W CB -1.085 28.428 29.460 0.088 0.000 1.126 332 W HN -0.109 nan 8.180 nan 0.000 0.652 333 F N 2.745 122.466 119.950 -0.382 0.000 2.095 333 F HA -0.256 4.271 4.527 0.000 0.000 0.298 333 F C 3.028 178.818 175.800 -0.018 0.000 1.104 333 F CA 2.927 60.752 58.000 -0.292 0.000 1.232 333 F CB -0.708 38.044 39.000 -0.415 0.000 0.987 333 F HN -0.086 nan 8.300 nan 0.000 0.475 334 Q N 0.375 120.261 119.800 0.144 0.000 2.152 334 Q HA -0.278 4.062 4.340 0.000 0.000 0.206 334 Q C 1.921 177.950 176.000 0.048 0.000 0.985 334 Q CA 2.117 57.980 55.803 0.100 0.000 0.863 334 Q CB -0.327 28.478 28.738 0.112 0.000 0.904 334 Q HN 0.558 nan 8.270 nan 0.000 0.422 335 E N -0.151 120.101 120.200 0.087 0.000 2.331 335 E HA -0.187 4.163 4.350 0.000 0.000 0.199 335 E C 1.633 178.259 176.600 0.044 0.000 1.008 335 E CA 0.549 57.002 56.400 0.087 0.000 0.843 335 E CB 0.053 29.840 29.700 0.146 0.000 0.761 335 E HN 0.304 nan 8.360 nan 0.000 0.507 336 L N -0.466 120.739 121.223 -0.030 0.000 2.376 336 L HA 0.039 4.379 4.340 0.000 0.000 0.219 336 L C 1.463 178.315 176.870 -0.030 0.000 1.133 336 L CA 1.179 55.970 54.840 -0.082 0.000 0.816 336 L CB -0.511 41.373 42.059 -0.291 0.000 0.933 336 L HN 0.195 nan 8.230 nan 0.000 0.449 337 G N 0.140 108.934 108.800 -0.010 0.000 2.295 337 G HA2 -0.273 3.687 3.960 0.000 0.000 0.287 337 G HA3 -0.273 3.687 3.960 0.000 0.000 0.287 337 G C 0.081 175.056 174.900 0.124 0.000 1.055 337 G CA 0.133 45.271 45.100 0.063 0.000 0.922 337 G HN 0.258 nan 8.290 nan 0.000 0.503 338 L N -0.520 120.695 121.223 -0.013 0.000 2.343 338 L HA 0.819 5.159 4.340 0.000 0.000 0.275 338 L C 0.630 177.393 176.870 -0.179 0.000 1.056 338 L CA -0.656 54.145 54.840 -0.065 0.000 0.804 338 L CB 1.739 43.618 42.059 -0.298 0.000 1.203 338 L HN 0.537 nan 8.230 nan 0.000 0.440 339 K N 1.088 121.210 120.400 -0.464 0.000 2.578 339 K HA 0.501 4.821 4.320 0.000 0.000 0.287 339 K C -2.077 174.471 176.600 -0.086 0.000 1.010 339 K CA -1.047 55.073 56.287 -0.278 0.000 0.889 339 K CB 2.340 34.604 32.500 -0.394 0.000 1.514 339 K HN 0.576 nan 8.250 nan 0.000 0.424 340 W N 1.901 123.129 121.300 -0.121 0.000 3.137 340 W HA 0.327 4.987 4.660 0.000 0.000 0.324 340 W C -1.321 175.192 176.519 -0.011 0.000 1.253 340 W CA -0.795 56.524 57.345 -0.043 0.000 1.183 340 W CB 1.585 30.892 29.460 -0.254 0.000 1.424 340 W HN 0.684 nan 8.180 nan 0.000 0.566 341 Y N 1.115 121.222 120.300 -0.323 0.000 2.397 341 Y HA 0.491 5.041 4.550 0.000 0.000 0.335 341 Y C 0.810 176.866 175.900 0.261 0.000 1.213 341 Y CA 0.089 58.127 58.100 -0.104 0.000 1.391 341 Y CB 0.177 38.467 38.460 -0.283 0.000 1.293 341 Y HN 0.347 nan 8.280 nan 0.000 0.557 342 A N 2.787 125.805 122.820 0.330 0.000 2.169 342 A HA 0.128 4.448 4.320 0.000 0.000 0.212 342 A C 0.311 178.231 177.584 0.560 0.000 1.153 342 A CA 0.170 52.471 52.037 0.439 0.000 0.756 342 A CB -0.258 18.838 19.000 0.159 0.000 0.813 342 A HN 0.665 nan 8.150 nan 0.000 0.471 343 L N 1.717 123.224 121.223 0.472 0.000 2.295 343 L HA 0.435 4.775 4.340 0.000 0.000 0.281 343 L C -2.640 174.373 176.870 0.239 0.000 1.018 343 L CA -2.251 52.756 54.840 0.279 0.000 0.841 343 L CB 1.734 43.864 42.059 0.118 0.000 1.218 343 L HN -0.084 nan 8.230 nan 0.000 0.424 344 P HA 0.306 nan 4.420 nan 0.000 0.283 344 P C -1.273 175.931 177.300 -0.160 0.000 1.412 344 P CA -0.247 62.678 63.100 -0.292 0.000 0.912 344 P CB 1.161 32.288 31.700 -0.956 0.000 1.132 345 A N 4.701 127.458 122.820 -0.104 0.000 2.483 345 A HA 0.380 4.700 4.320 0.000 0.000 0.308 345 A C -0.055 177.370 177.584 -0.264 0.000 1.291 345 A CA -0.680 51.252 52.037 -0.176 0.000 0.774 345 A CB 0.660 19.573 19.000 -0.145 0.000 1.134 345 A HN 0.290 nan 8.150 nan 0.000 0.471 346 V N 1.871 121.499 119.914 -0.477 0.000 2.599 346 V HA 0.230 4.350 4.120 0.000 0.000 0.300 346 V C 1.311 177.047 176.094 -0.597 0.000 1.034 346 V CA 1.374 63.324 62.300 -0.583 0.000 1.115 346 V CB 0.964 32.255 31.823 -0.887 0.000 0.934 346 V HN 1.046 nan 8.190 nan 0.000 0.485 347 A N 3.995 126.630 122.820 -0.309 0.000 2.287 347 A HA 0.136 4.456 4.320 0.000 0.000 0.214 347 A C 1.331 178.860 177.584 -0.090 0.000 1.228 347 A CA 0.359 52.292 52.037 -0.174 0.000 0.939 347 A CB -0.101 18.852 19.000 -0.079 0.000 0.992 347 A HN 0.921 nan 8.150 nan 0.000 0.502 348 N N -1.037 117.608 118.700 -0.092 0.000 2.235 348 N HA 0.274 5.014 4.740 0.000 0.000 0.209 348 N C 0.172 175.703 175.510 0.036 0.000 1.122 348 N CA -0.226 52.807 53.050 -0.027 0.000 0.845 348 N CB 0.107 38.560 38.487 -0.056 0.000 1.004 348 N HN 0.316 nan 8.380 nan 0.000 0.499 349 M N 1.274 120.901 119.600 0.045 0.000 2.359 349 M HA 0.313 4.793 4.480 0.000 0.000 0.322 349 M C -0.560 175.878 176.300 0.230 0.000 1.166 349 M CA -0.833 54.565 55.300 0.163 0.000 1.067 349 M CB 2.355 35.075 32.600 0.200 0.000 1.523 349 M HN 0.132 nan 8.290 nan 0.000 0.467 350 L N 3.065 124.458 121.223 0.283 0.000 2.295 350 L HA 0.502 4.842 4.340 0.000 0.000 0.285 350 L C -1.286 175.824 176.870 0.398 0.000 1.035 350 L CA -0.985 54.038 54.840 0.304 0.000 0.806 350 L CB 1.096 43.292 42.059 0.228 0.000 1.214 350 L HN 0.591 nan 8.230 nan 0.000 0.426 351 L N 5.352 126.814 121.223 0.400 0.000 2.260 351 L HA 0.415 4.755 4.340 0.000 0.000 0.289 351 L C -0.320 176.725 176.870 0.292 0.000 1.057 351 L CA 0.327 55.363 54.840 0.327 0.000 0.811 351 L CB 0.900 43.134 42.059 0.293 0.000 1.184 351 L HN 0.616 nan 8.230 nan 0.000 0.429 352 E N 4.808 125.141 120.200 0.221 0.000 2.156 352 E HA 0.466 4.816 4.350 0.000 0.000 0.279 352 E C -1.779 174.858 176.600 0.061 0.000 0.965 352 E CA -0.342 56.167 56.400 0.181 0.000 0.789 352 E CB 1.808 31.698 29.700 0.317 0.000 1.098 352 E HN 0.520 nan 8.360 nan 0.000 0.397 353 V N 3.297 123.214 119.914 0.004 0.000 2.752 353 V HA 0.479 4.599 4.120 0.000 0.000 0.302 353 V C 0.390 176.379 176.094 -0.176 0.000 1.133 353 V CA 0.457 62.659 62.300 -0.164 0.000 0.919 353 V CB 1.345 32.974 31.823 -0.323 0.000 1.026 353 V HN 0.867 nan 8.190 nan 0.000 0.429 354 G N 4.288 113.030 108.800 -0.098 0.000 2.361 354 G HA2 0.045 4.005 3.960 0.000 0.000 0.294 354 G HA3 0.045 4.005 3.960 0.000 0.000 0.294 354 G C 1.634 176.687 174.900 0.255 0.000 1.004 354 G CA 1.577 46.774 45.100 0.162 0.000 0.870 354 G HN 2.705 nan 8.290 nan 0.000 0.510 355 G N -1.776 107.111 108.800 0.144 0.000 2.284 355 G HA2 -0.130 3.830 3.960 0.000 0.000 0.230 355 G HA3 -0.130 3.830 3.960 0.000 0.000 0.230 355 G C 0.646 175.597 174.900 0.085 0.000 1.021 355 G CA 0.546 45.773 45.100 0.212 0.000 0.619 355 G HN 1.936 nan 8.290 nan 0.000 0.510 356 L N -0.175 121.047 121.223 -0.002 0.000 2.379 356 L HA 0.904 5.245 4.340 0.000 0.000 0.269 356 L C 0.055 176.809 176.870 -0.193 0.000 1.084 356 L CA -0.940 53.802 54.840 -0.164 0.000 0.802 356 L CB 1.156 43.003 42.059 -0.353 0.000 1.175 356 L HN 0.392 nan 8.230 nan 0.000 0.448 357 E N 1.484 121.512 120.200 -0.287 0.000 2.222 357 E HA 0.470 4.820 4.350 0.000 0.000 0.267 357 E C -1.708 174.694 176.600 -0.330 0.000 0.884 357 E CA -0.647 55.648 56.400 -0.176 0.000 0.764 357 E CB 1.935 31.592 29.700 -0.071 0.000 1.169 357 E HN 0.509 nan 8.360 nan 0.000 0.413 358 F N 2.923 122.895 119.950 0.036 0.000 2.311 358 F HA 0.269 4.796 4.527 0.000 0.000 0.371 358 F C -1.546 174.325 175.800 0.118 0.000 1.083 358 F CA -2.409 55.631 58.000 0.065 0.000 1.113 358 F CB 1.653 40.680 39.000 0.046 0.000 1.349 358 F HN 0.376 nan 8.300 nan 0.000 0.470 359 P HA -0.001 nan 4.420 nan 0.000 0.242 359 P C -0.096 177.339 177.300 0.226 0.000 1.197 359 P CA 0.586 63.801 63.100 0.192 0.000 0.765 359 P CB 0.456 32.237 31.700 0.135 0.000 0.936 360 A N 0.344 123.347 122.820 0.306 0.000 2.569 360 A HA 0.525 4.845 4.320 0.000 0.000 0.282 360 A C -0.222 177.612 177.584 0.417 0.000 1.165 360 A CA -0.422 51.815 52.037 0.334 0.000 0.747 360 A CB 0.107 19.306 19.000 0.331 0.000 1.215 360 A HN 0.270 nan 8.150 nan 0.000 0.431 361 C N 0.900 120.379 119.300 0.298 0.000 3.319 361 C HA 0.515 4.975 4.460 0.000 0.000 0.258 361 C C -2.906 172.161 174.990 0.128 0.000 1.068 361 C CA -1.533 57.606 59.018 0.202 0.000 1.193 361 C CB -0.064 27.788 27.740 0.188 0.000 1.770 361 C HN 0.570 nan 8.230 nan 0.000 0.604 362 P HA 0.393 nan 4.420 nan 0.000 0.268 362 P C -0.605 176.704 177.300 0.014 0.000 1.204 362 P CA 0.822 63.901 63.100 -0.035 0.000 0.768 362 P CB 0.667 32.437 31.700 0.117 0.000 0.842 363 F N 0.447 120.371 119.950 -0.043 0.000 2.650 363 F HA 0.721 5.248 4.527 0.000 0.000 0.320 363 F C -0.695 175.043 175.800 -0.103 0.000 1.091 363 F CA -1.173 56.769 58.000 -0.096 0.000 0.962 363 F CB 1.656 40.418 39.000 -0.397 0.000 1.363 363 F HN 0.397 nan 8.300 nan 0.000 0.482 364 N N -0.478 118.323 118.700 0.168 0.000 2.710 364 N HA 0.643 5.383 4.740 0.000 0.000 0.257 364 N C -1.341 174.087 175.510 -0.137 0.000 1.327 364 N CA -0.396 52.649 53.050 -0.008 0.000 0.861 364 N CB 1.792 40.254 38.487 -0.042 0.000 1.532 364 N HN 1.099 nan 8.380 nan 0.000 0.499 365 G N -0.684 107.990 108.800 -0.210 0.000 3.291 365 G HA2 0.687 4.647 3.960 0.000 0.000 0.173 365 G HA3 0.687 4.647 3.960 0.000 0.000 0.173 365 G C -1.617 173.221 174.900 -0.103 0.000 1.099 365 G CA -0.672 44.226 45.100 -0.337 0.000 0.794 365 G HN 0.698 nan 8.290 nan 0.000 0.651 366 W N -1.750 119.542 121.300 -0.013 0.000 2.894 366 W HA 0.825 5.485 4.660 0.000 0.000 0.345 366 W C -1.323 175.178 176.519 -0.031 0.000 1.152 366 W CA -2.002 55.347 57.345 0.007 0.000 1.089 366 W CB 0.354 29.859 29.460 0.075 0.000 1.454 366 W HN 0.382 nan 8.180 nan 0.000 0.589 367 Y N 1.913 122.388 120.300 0.290 0.000 2.326 367 Y HA 0.325 4.875 4.550 0.000 0.000 0.333 367 Y C 0.586 176.512 175.900 0.042 0.000 1.240 367 Y CA -0.698 57.439 58.100 0.061 0.000 1.365 367 Y CB 1.244 39.631 38.460 -0.122 0.000 1.289 367 Y HN 0.367 nan 8.280 nan 0.000 0.548 368 M N 2.236 121.953 119.600 0.195 0.000 2.125 368 M HA 0.348 4.828 4.480 0.000 0.000 0.321 368 M C 1.018 177.276 176.300 -0.070 0.000 0.983 368 M CA -0.238 55.104 55.300 0.069 0.000 0.934 368 M CB 1.237 33.867 32.600 0.049 0.000 1.542 368 M HN 0.858 nan 8.290 nan 0.000 0.424 369 G N 2.085 110.796 108.800 -0.147 0.000 2.728 369 G HA2 -0.403 3.557 3.960 0.000 0.000 0.224 369 G HA3 -0.403 3.557 3.960 0.000 0.000 0.224 369 G C 1.123 175.834 174.900 -0.314 0.000 1.139 369 G CA 2.205 47.145 45.100 -0.265 0.000 0.761 369 G HN 0.872 nan 8.290 nan 0.000 0.621 370 T N -1.191 113.180 114.554 -0.305 0.000 2.929 370 T HA 0.004 4.354 4.350 0.000 0.000 0.271 370 T C 1.937 176.447 174.700 -0.317 0.000 1.085 370 T CA 1.664 63.551 62.100 -0.355 0.000 1.125 370 T CB -0.253 68.348 68.868 -0.444 0.000 0.874 370 T HN 0.583 nan 8.240 nan 0.000 0.494 371 E N 0.889 120.925 120.200 -0.272 0.000 2.077 371 E HA -0.029 4.321 4.350 0.000 0.000 0.193 371 E C 2.030 178.336 176.600 -0.490 0.000 0.989 371 E CA 1.374 57.625 56.400 -0.248 0.000 0.800 371 E CB -0.266 29.433 29.700 -0.002 0.000 0.746 371 E HN 0.597 nan 8.360 nan 0.000 0.452 372 I N 0.287 120.420 120.570 -0.728 0.000 2.364 372 I HA -0.038 4.132 4.170 0.000 0.000 0.241 372 I C 2.613 178.173 176.117 -0.929 0.000 1.082 372 I CA 0.875 61.451 61.300 -1.207 0.000 1.401 372 I CB -0.532 36.655 38.000 -1.356 0.000 1.126 372 I HN 0.089 nan 8.210 nan 0.000 0.429 373 G N 0.604 109.105 108.800 -0.497 0.000 2.442 373 G HA2 -0.144 3.816 3.960 0.000 0.000 0.219 373 G HA3 -0.144 3.816 3.960 0.000 0.000 0.219 373 G C 1.577 176.421 174.900 -0.093 0.000 1.141 373 G CA 1.211 46.227 45.100 -0.139 0.000 0.763 373 G HN 0.242 nan 8.290 nan 0.000 0.554 374 V N -0.012 119.776 119.914 -0.209 0.000 2.521 374 V HA 0.094 4.215 4.120 0.000 0.000 0.239 374 V C 2.746 178.756 176.094 -0.140 0.000 1.053 374 V CA 0.875 63.083 62.300 -0.155 0.000 1.073 374 V CB -0.191 31.510 31.823 -0.203 0.000 0.746 374 V HN 0.119 nan 8.190 nan 0.000 0.476 375 R N 0.729 121.105 120.500 -0.207 0.000 2.052 375 R HA -0.007 4.333 4.340 0.000 0.000 0.224 375 R C 1.988 178.203 176.300 -0.142 0.000 1.165 375 R CA 1.449 57.452 56.100 -0.163 0.000 0.939 375 R CB -1.252 28.939 30.300 -0.183 0.000 0.834 375 R HN 0.438 nan 8.270 nan 0.000 0.435 376 D N 0.731 120.936 120.400 -0.326 0.000 2.126 376 D HA -0.172 4.468 4.640 0.000 0.000 0.190 376 D C 1.917 178.172 176.300 -0.074 0.000 1.001 376 D CA 1.374 55.136 54.000 -0.396 0.000 0.841 376 D CB -0.282 39.719 40.800 -1.332 0.000 0.949 376 D HN 0.106 nan 8.370 nan 0.000 0.446 377 F N 0.157 120.005 119.950 -0.170 0.000 2.270 377 F HA 0.033 4.560 4.527 0.000 0.000 0.295 377 F C 2.446 178.290 175.800 0.074 0.000 1.087 377 F CA -0.115 57.883 58.000 -0.003 0.000 1.365 377 F CB -0.639 38.333 39.000 -0.047 0.000 1.056 377 F HN 0.041 nan 8.300 nan 0.000 0.506 378 C N -1.174 118.245 119.300 0.198 0.000 2.780 378 C HA 0.174 4.634 4.460 0.000 0.000 0.267 378 C C 0.494 175.534 174.990 0.083 0.000 1.266 378 C CA -0.713 58.382 59.018 0.129 0.000 1.709 378 C CB -0.728 27.056 27.740 0.073 0.000 1.975 378 C HN 0.093 nan 8.230 nan 0.000 0.582 379 D N 1.761 122.202 120.400 0.069 0.000 2.443 379 D HA 0.065 4.705 4.640 0.000 0.000 0.239 379 D C 1.550 177.896 176.300 0.076 0.000 1.136 379 D CA 0.535 54.563 54.000 0.048 0.000 0.879 379 D CB 1.013 41.836 40.800 0.038 0.000 1.195 379 D HN 0.406 nan 8.370 nan 0.000 0.443 380 T N -0.565 114.021 114.554 0.054 0.000 2.867 380 T HA -0.221 4.129 4.350 0.000 0.000 0.268 380 T C 1.389 176.124 174.700 0.059 0.000 1.057 380 T CA 0.801 62.937 62.100 0.060 0.000 1.136 380 T CB -0.053 68.842 68.868 0.045 0.000 0.874 380 T HN 0.489 nan 8.240 nan 0.000 0.466 381 Q N 0.768 120.599 119.800 0.052 0.000 2.482 381 Q HA 0.096 4.436 4.340 0.000 0.000 0.209 381 Q C 1.060 177.095 176.000 0.060 0.000 0.961 381 Q CA 0.196 56.028 55.803 0.049 0.000 0.945 381 Q CB 0.063 28.827 28.738 0.044 0.000 1.012 381 Q HN 0.416 nan 8.270 nan 0.000 0.515 382 R N -0.284 120.270 120.500 0.090 0.000 2.618 382 R HA 0.234 4.574 4.340 0.000 0.000 0.108 382 R C 1.610 177.976 176.300 0.110 0.000 1.220 382 R CA -0.378 55.801 56.100 0.132 0.000 1.020 382 R CB -1.154 29.285 30.300 0.231 0.000 0.950 382 R HN 0.060 nan 8.270 nan 0.000 0.397 383 Y N 1.584 122.017 120.300 0.221 0.000 2.421 383 Y HA -0.101 4.449 4.550 0.000 0.000 0.292 383 Y C 0.712 176.712 175.900 0.166 0.000 1.136 383 Y CA 1.034 59.278 58.100 0.239 0.000 1.255 383 Y CB -0.352 38.355 38.460 0.412 0.000 0.991 383 Y HN 0.466 nan 8.280 nan 0.000 0.552 384 N N 0.643 119.502 118.700 0.265 0.000 2.699 384 N HA -0.232 4.508 4.740 0.000 0.000 0.256 384 N C 0.361 175.977 175.510 0.177 0.000 0.993 384 N CA 0.843 54.001 53.050 0.179 0.000 0.759 384 N CB -1.356 37.203 38.487 0.120 0.000 0.906 384 N HN 0.670 nan 8.380 nan 0.000 0.541 385 I N -3.472 117.217 120.570 0.199 0.000 3.793 385 I HA 0.062 4.232 4.170 0.000 0.000 0.315 385 I C 1.722 177.937 176.117 0.163 0.000 1.275 385 I CA -0.424 60.964 61.300 0.148 0.000 1.214 385 I CB -0.069 37.977 38.000 0.076 0.000 1.018 385 I HN 0.168 nan 8.210 nan 0.000 0.439 386 L N 1.766 123.102 121.223 0.188 0.000 2.013 386 L HA -0.241 4.099 4.340 0.000 0.000 0.212 386 L C 2.519 179.617 176.870 0.380 0.000 1.073 386 L CA 2.515 57.500 54.840 0.242 0.000 0.753 386 L CB -0.574 41.581 42.059 0.160 0.000 0.890 386 L HN 0.582 nan 8.230 nan 0.000 0.432 387 E N -0.218 120.180 120.200 0.330 0.000 2.031 387 E HA -0.319 4.031 4.350 0.000 0.000 0.193 387 E C 1.938 178.583 176.600 0.077 0.000 0.994 387 E CA 1.598 58.132 56.400 0.223 0.000 0.800 387 E CB -0.023 29.741 29.700 0.106 0.000 0.752 387 E HN 0.402 nan 8.360 nan 0.000 0.447 388 E N 0.161 120.409 120.200 0.080 0.000 2.130 388 E HA -0.170 4.180 4.350 0.000 0.000 0.196 388 E C 1.892 178.534 176.600 0.070 0.000 0.998 388 E CA 1.520 57.943 56.400 0.039 0.000 0.806 388 E CB -0.129 29.597 29.700 0.043 0.000 0.738 388 E HN 0.219 nan 8.360 nan 0.000 0.459 389 V N -0.227 119.792 119.914 0.176 0.000 2.488 389 V HA -0.040 4.080 4.120 0.000 0.000 0.246 389 V C 2.287 178.551 176.094 0.283 0.000 1.046 389 V CA 1.642 64.128 62.300 0.310 0.000 1.053 389 V CB -0.810 31.238 31.823 0.375 0.000 0.679 389 V HN 0.473 nan 8.190 nan 0.000 0.458 390 G N -0.257 108.695 108.800 0.254 0.000 2.422 390 G HA2 -0.253 3.708 3.960 0.000 0.000 0.218 390 G HA3 -0.253 3.708 3.960 0.000 0.000 0.218 390 G C 1.689 176.554 174.900 -0.059 0.000 1.140 390 G CA 0.738 45.950 45.100 0.187 0.000 0.775 390 G HN 0.365 nan 8.290 nan 0.000 0.545 391 R N 0.462 120.885 120.500 -0.129 0.000 2.070 391 R HA 0.062 4.402 4.340 0.000 0.000 0.232 391 R C 2.594 178.763 176.300 -0.218 0.000 1.138 391 R CA 1.251 57.240 56.100 -0.185 0.000 0.936 391 R CB -0.350 29.857 30.300 -0.155 0.000 0.839 391 R HN 0.229 nan 8.270 nan 0.000 0.429 392 R N -0.589 119.726 120.500 -0.307 0.000 2.316 392 R HA 0.021 4.361 4.340 0.000 0.000 0.202 392 R C 1.652 177.550 176.300 -0.670 0.000 1.029 392 R CA 0.892 56.578 56.100 -0.690 0.000 1.018 392 R CB -0.019 29.553 30.300 -1.213 0.000 0.888 392 R HN 0.308 nan 8.270 nan 0.000 0.471 393 M N -0.952 118.552 119.600 -0.160 0.000 2.502 393 M HA 0.138 4.618 4.480 0.000 0.000 0.243 393 M C 0.786 177.103 176.300 0.028 0.000 1.130 393 M CA 0.408 55.789 55.300 0.134 0.000 1.055 393 M CB 0.902 33.711 32.600 0.347 0.000 1.457 393 M HN 0.352 nan 8.290 nan 0.000 0.488 394 G N 2.105 110.860 108.800 -0.074 0.000 2.176 394 G HA2 -0.235 3.725 3.960 0.000 0.000 0.252 394 G HA3 -0.235 3.725 3.960 0.000 0.000 0.252 394 G C -0.095 174.786 174.900 -0.032 0.000 1.024 394 G CA -0.062 44.995 45.100 -0.071 0.000 0.755 394 G HN 0.396 nan 8.290 nan 0.000 0.507 395 L N -0.812 120.395 121.223 -0.026 0.000 2.439 395 L HA 0.450 4.790 4.340 0.000 0.000 0.259 395 L C 0.945 177.746 176.870 -0.115 0.000 1.129 395 L CA -0.863 53.977 54.840 0.000 0.000 0.803 395 L CB 0.620 42.749 42.059 0.117 0.000 1.161 395 L HN 0.135 nan 8.230 nan 0.000 0.462 396 E N 0.361 120.520 120.200 -0.068 0.000 1.842 396 E HA 0.006 4.356 4.350 0.000 0.000 0.278 396 E C 0.450 176.811 176.600 -0.398 0.000 1.171 396 E CA -0.147 56.187 56.400 -0.110 0.000 1.127 396 E CB 0.069 29.781 29.700 0.019 0.000 1.100 396 E HN 0.545 nan 8.360 nan 0.000 0.456 397 T N 0.790 114.928 114.554 -0.692 0.000 2.929 397 T HA -0.139 4.211 4.350 0.000 0.000 0.271 397 T C 0.960 175.179 174.700 -0.802 0.000 1.085 397 T CA 0.913 62.178 62.100 -1.391 0.000 1.125 397 T CB -0.080 68.104 68.868 -1.139 0.000 0.874 397 T HN 0.523 nan 8.240 nan 0.000 0.494 398 H N 0.246 119.151 119.070 -0.275 0.000 2.529 398 H HA 0.220 4.776 4.556 0.000 0.000 0.277 398 H C 0.026 175.378 175.328 0.039 0.000 1.004 398 H CA 0.306 56.313 56.048 -0.070 0.000 1.167 398 H CB 0.505 30.227 29.762 -0.066 0.000 1.445 398 H HN 0.170 nan 8.280 nan 0.000 0.554 399 T N 2.348 117.003 114.554 0.169 0.000 2.930 399 T HA 0.084 4.434 4.350 0.000 0.000 0.313 399 T C 1.057 175.951 174.700 0.323 0.000 1.019 399 T CA -0.473 61.749 62.100 0.203 0.000 1.004 399 T CB 1.581 70.534 68.868 0.142 0.000 0.987 399 T HN -0.035 nan 8.240 nan 0.000 0.456 400 L N 2.620 124.004 121.223 0.269 0.000 2.043 400 L HA -0.089 4.251 4.340 0.000 0.000 0.212 400 L C 2.679 179.628 176.870 0.131 0.000 1.075 400 L CA 2.033 56.992 54.840 0.198 0.000 0.752 400 L CB -1.404 40.717 42.059 0.104 0.000 0.891 400 L HN 0.791 nan 8.230 nan 0.000 0.432 401 A N -0.787 122.104 122.820 0.118 0.000 2.076 401 A HA -0.203 4.117 4.320 0.000 0.000 0.220 401 A C 2.417 180.063 177.584 0.102 0.000 1.160 401 A CA 1.698 53.786 52.037 0.086 0.000 0.653 401 A CB -0.692 18.351 19.000 0.072 0.000 0.801 401 A HN 0.607 nan 8.150 nan 0.000 0.455 402 S N -0.547 115.252 115.700 0.165 0.000 2.474 402 S HA 0.017 4.487 4.470 0.000 0.000 0.235 402 S C 0.923 175.622 174.600 0.165 0.000 0.997 402 S CA 0.842 59.149 58.200 0.178 0.000 0.949 402 S CB -0.760 62.583 63.200 0.238 0.000 0.766 402 S HN 0.925 nan 8.310 nan 0.000 0.517 403 L N 0.161 121.452 121.223 0.114 0.000 3.865 403 L HA -0.174 4.166 4.340 0.000 0.000 0.408 403 L C 1.619 178.516 176.870 0.045 0.000 1.209 403 L CA 0.776 55.625 54.840 0.015 0.000 0.940 403 L CB -2.705 39.368 42.059 0.023 0.000 1.971 403 L HN 0.758 nan 8.230 nan 0.000 0.899 404 W N 0.324 121.646 121.300 0.037 0.000 2.363 404 W HA -0.144 4.516 4.660 0.000 0.000 0.296 404 W C 1.727 178.274 176.519 0.047 0.000 1.212 404 W CA 1.342 58.714 57.345 0.045 0.000 1.260 404 W CB -0.738 28.746 29.460 0.039 0.000 1.131 404 W HN 0.260 nan 8.180 nan 0.000 0.530 405 K N 1.126 121.045 120.400 -0.802 0.000 2.063 405 K HA -0.183 4.137 4.320 0.000 0.000 0.208 405 K C 1.464 177.902 176.600 -0.270 0.000 1.048 405 K CA 2.439 58.250 56.287 -0.794 0.000 0.928 405 K CB -0.439 31.463 32.500 -0.997 0.000 0.713 405 K HN 0.095 nan 8.250 nan 0.000 0.442 406 D N 0.071 120.358 120.400 -0.189 0.000 2.178 406 D HA -0.094 4.546 4.640 0.000 0.000 0.202 406 D C 1.889 178.187 176.300 -0.005 0.000 0.974 406 D CA 0.934 54.886 54.000 -0.079 0.000 0.841 406 D CB 0.049 40.816 40.800 -0.054 0.000 0.953 406 D HN 0.124 nan 8.370 nan 0.000 0.478 407 R N 0.419 120.946 120.500 0.045 0.000 2.062 407 R HA 0.121 4.461 4.340 0.000 0.000 0.226 407 R C 2.280 178.651 176.300 0.119 0.000 1.125 407 R CA 1.018 57.179 56.100 0.101 0.000 0.966 407 R CB -0.228 30.165 30.300 0.156 0.000 0.861 407 R HN 0.142 nan 8.270 nan 0.000 0.433 408 A N 0.741 123.660 122.820 0.163 0.000 1.845 408 A HA -0.156 4.164 4.320 0.000 0.000 0.215 408 A C 2.254 179.911 177.584 0.122 0.000 1.195 408 A CA 1.600 53.758 52.037 0.201 0.000 0.616 408 A CB -1.015 18.167 19.000 0.303 0.000 0.832 408 A HN 0.199 nan 8.150 nan 0.000 0.443 409 V N 0.095 120.046 119.914 0.063 0.000 2.380 409 V HA -0.257 3.864 4.120 0.000 0.000 0.251 409 V C 2.535 178.634 176.094 0.008 0.000 1.063 409 V CA 3.038 65.354 62.300 0.028 0.000 1.055 409 V CB -0.897 30.910 31.823 -0.028 0.000 0.657 409 V HN 0.674 nan 8.190 nan 0.000 0.455 410 T N -0.426 114.135 114.554 0.012 0.000 2.821 410 T HA -0.104 4.246 4.350 0.000 0.000 0.267 410 T C 1.773 176.457 174.700 -0.027 0.000 1.046 410 T CA 1.378 63.481 62.100 0.006 0.000 1.139 410 T CB -0.214 68.671 68.868 0.029 0.000 0.871 410 T HN 0.521 nan 8.240 nan 0.000 0.454 411 E N 1.038 121.225 120.200 -0.021 0.000 2.107 411 E HA 0.046 4.396 4.350 0.000 0.000 0.191 411 E C 2.239 178.723 176.600 -0.193 0.000 0.982 411 E CA 0.614 56.965 56.400 -0.082 0.000 0.809 411 E CB -0.376 29.244 29.700 -0.133 0.000 0.756 411 E HN 0.512 nan 8.360 nan 0.000 0.459 412 I N 1.600 122.132 120.570 -0.063 0.000 2.226 412 I HA -0.260 3.910 4.170 0.000 0.000 0.245 412 I C 2.156 178.229 176.117 -0.074 0.000 1.100 412 I CA 0.780 62.074 61.300 -0.011 0.000 1.374 412 I CB -0.289 37.827 38.000 0.193 0.000 1.057 412 I HN 0.041 nan 8.210 nan 0.000 0.413 413 N N 0.721 119.377 118.700 -0.073 0.000 2.084 413 N HA -0.149 4.591 4.740 0.000 0.000 0.190 413 N C 2.003 177.436 175.510 -0.129 0.000 1.030 413 N CA 1.916 54.910 53.050 -0.094 0.000 0.849 413 N CB -0.323 38.119 38.487 -0.076 0.000 1.012 413 N HN 0.387 nan 8.380 nan 0.000 0.423 414 V N -1.040 118.763 119.914 -0.186 0.000 2.626 414 V HA 0.020 4.140 4.120 0.000 0.000 0.252 414 V C 2.233 178.127 176.094 -0.333 0.000 1.067 414 V CA 1.658 63.815 62.300 -0.239 0.000 1.081 414 V CB -1.043 30.604 31.823 -0.294 0.000 0.686 414 V HN 0.187 nan 8.190 nan 0.000 0.468 415 A N 0.640 123.168 122.820 -0.487 0.000 1.858 415 A HA -0.078 4.242 4.320 0.000 0.000 0.216 415 A C 2.409 179.920 177.584 -0.121 0.000 1.190 415 A CA 2.260 54.004 52.037 -0.488 0.000 0.617 415 A CB -1.007 17.445 19.000 -0.913 0.000 0.827 415 A HN 0.446 nan 8.150 nan 0.000 0.443 416 V N 0.329 120.214 119.914 -0.048 0.000 2.252 416 V HA -0.311 3.809 4.120 0.000 0.000 0.249 416 V C 2.627 178.747 176.094 0.044 0.000 1.056 416 V CA 2.215 64.549 62.300 0.058 0.000 1.022 416 V CB -0.839 30.944 31.823 -0.068 0.000 0.641 416 V HN 0.575 nan 8.190 nan 0.000 0.445 417 L N -0.753 120.441 121.223 -0.047 0.000 2.017 417 L HA -0.233 4.108 4.340 0.000 0.000 0.208 417 L C 2.632 179.524 176.870 0.037 0.000 1.073 417 L CA 2.224 57.048 54.840 -0.027 0.000 0.745 417 L CB -1.012 41.028 42.059 -0.032 0.000 0.894 417 L HN 0.510 nan 8.230 nan 0.000 0.432 418 H N -0.031 118.992 119.070 -0.080 0.000 2.319 418 H HA -0.156 4.400 4.556 0.000 0.000 0.299 418 H C 2.324 177.644 175.328 -0.013 0.000 1.092 418 H CA 1.912 57.913 56.048 -0.079 0.000 1.302 418 H CB 0.332 29.986 29.762 -0.180 0.000 1.373 418 H HN 0.256 nan 8.280 nan 0.000 0.497 419 S N 0.398 116.047 115.700 -0.085 0.000 2.351 419 S HA -0.156 4.314 4.470 0.000 0.000 0.220 419 S C 2.014 176.588 174.600 -0.044 0.000 1.035 419 S CA 1.514 59.663 58.200 -0.085 0.000 1.031 419 S CB -0.684 62.557 63.200 0.070 0.000 0.928 419 S HN 0.308 nan 8.310 nan 0.000 0.433 420 F N 1.662 121.549 119.950 -0.104 0.000 2.120 420 F HA -0.176 4.351 4.527 0.000 0.000 0.300 420 F C 2.750 178.492 175.800 -0.097 0.000 1.095 420 F CA 1.561 59.517 58.000 -0.074 0.000 1.249 420 F CB -0.611 38.361 39.000 -0.047 0.000 0.995 420 F HN 0.238 nan 8.300 nan 0.000 0.480 421 Q N 0.312 120.152 119.800 0.068 0.000 2.079 421 Q HA -0.213 4.128 4.340 0.000 0.000 0.200 421 Q C 2.306 178.252 176.000 -0.091 0.000 0.974 421 Q CA 1.672 57.464 55.803 -0.019 0.000 0.840 421 Q CB -0.118 28.602 28.738 -0.030 0.000 0.898 421 Q HN 0.322 nan 8.270 nan 0.000 0.430 422 K N -0.038 120.244 120.400 -0.196 0.000 2.026 422 K HA -0.166 4.154 4.320 0.000 0.000 0.208 422 K C 1.521 178.044 176.600 -0.129 0.000 1.048 422 K CA 1.612 57.771 56.287 -0.212 0.000 0.929 422 K CB 0.105 32.385 32.500 -0.368 0.000 0.713 422 K HN 0.256 nan 8.250 nan 0.000 0.439 423 Q N 0.606 120.329 119.800 -0.129 0.000 2.373 423 Q HA 0.080 4.420 4.340 0.000 0.000 0.206 423 Q C -0.585 175.363 176.000 -0.087 0.000 0.942 423 Q CA -0.136 55.600 55.803 -0.111 0.000 0.953 423 Q CB 0.223 28.873 28.738 -0.147 0.000 1.022 423 Q HN 0.283 nan 8.270 nan 0.000 0.502 424 N N 0.132 118.793 118.700 -0.065 0.000 2.727 424 N HA -0.157 4.584 4.740 0.000 0.000 0.249 424 N C -1.409 174.081 175.510 -0.033 0.000 1.048 424 N CA 0.522 53.544 53.050 -0.045 0.000 0.714 424 N CB -0.879 37.580 38.487 -0.046 0.000 0.959 424 N HN 0.034 nan 8.380 nan 0.000 0.544 425 V N 1.187 121.099 119.914 -0.003 0.000 2.384 425 V HA 0.202 4.322 4.120 0.000 0.000 0.287 425 V C 0.802 177.004 176.094 0.179 0.000 1.020 425 V CA -0.631 61.703 62.300 0.057 0.000 0.850 425 V CB 1.917 33.718 31.823 -0.036 0.000 0.987 425 V HN 0.159 nan 8.190 nan 0.000 0.436 426 T N 6.490 121.091 114.554 0.079 0.000 2.923 426 T HA 0.315 4.665 4.350 0.000 0.000 0.304 426 T C -0.221 174.526 174.700 0.079 0.000 1.044 426 T CA 1.046 63.120 62.100 -0.043 0.000 1.141 426 T CB 0.016 68.736 68.868 -0.246 0.000 1.023 426 T HN 0.588 nan 8.240 nan 0.000 0.533 427 I N 2.332 122.869 120.570 -0.054 0.000 2.800 427 I HA 0.482 4.652 4.170 0.000 0.000 0.294 427 I C -1.591 174.515 176.117 -0.019 0.000 1.538 427 I CA -0.899 60.386 61.300 -0.024 0.000 1.010 427 I CB 1.906 39.767 38.000 -0.232 0.000 1.381 427 I HN 0.651 nan 8.210 nan 0.000 0.462 428 M N 6.547 126.202 119.600 0.093 0.000 2.395 428 M HA 0.401 4.881 4.480 0.000 0.000 0.307 428 M C -1.355 175.000 176.300 0.091 0.000 1.091 428 M CA -0.601 54.769 55.300 0.116 0.000 0.919 428 M CB 1.640 34.397 32.600 0.261 0.000 1.662 428 M HN 0.587 nan 8.290 nan 0.000 0.440 429 D N 3.239 123.692 120.400 0.087 0.000 2.344 429 D HA 0.032 4.672 4.640 0.000 0.000 0.244 429 D C 0.648 177.042 176.300 0.156 0.000 1.134 429 D CA -0.181 53.901 54.000 0.138 0.000 0.930 429 D CB 0.583 41.460 40.800 0.129 0.000 1.175 429 D HN 0.852 nan 8.370 nan 0.000 0.437 430 H N 0.873 119.902 119.070 -0.068 0.000 2.387 430 H HA -0.167 4.389 4.556 0.000 0.000 0.299 430 H C 1.447 176.685 175.328 -0.149 0.000 1.090 430 H CA 1.390 57.352 56.048 -0.144 0.000 1.332 430 H CB -0.911 28.701 29.762 -0.249 0.000 1.386 430 H HN 0.551 nan 8.280 nan 0.000 0.516 431 H N 0.798 119.671 119.070 -0.329 0.000 2.293 431 H HA -0.057 4.499 4.556 0.000 0.000 0.300 431 H C 2.016 177.313 175.328 -0.053 0.000 1.082 431 H CA 2.044 57.965 56.048 -0.210 0.000 1.308 431 H CB -0.364 29.243 29.762 -0.259 0.000 1.375 431 H HN 0.402 nan 8.280 nan 0.000 0.495 432 T N 1.132 115.746 114.554 0.100 0.000 2.788 432 T HA -0.080 4.271 4.350 0.000 0.000 0.268 432 T C 2.321 177.089 174.700 0.114 0.000 1.044 432 T CA 1.064 63.221 62.100 0.096 0.000 1.139 432 T CB -0.353 68.566 68.868 0.085 0.000 0.867 432 T HN 0.439 nan 8.240 nan 0.000 0.454 433 A N 1.341 124.230 122.820 0.116 0.000 1.902 433 A HA -0.074 4.246 4.320 0.000 0.000 0.217 433 A C 2.617 180.291 177.584 0.150 0.000 1.181 433 A CA 1.836 53.957 52.037 0.140 0.000 0.623 433 A CB -0.824 18.248 19.000 0.120 0.000 0.818 433 A HN 0.436 nan 8.150 nan 0.000 0.443 434 S N -0.112 115.653 115.700 0.108 0.000 2.356 434 S HA -0.172 4.298 4.470 0.000 0.000 0.223 434 S C 1.852 176.562 174.600 0.182 0.000 1.032 434 S CA 1.509 59.786 58.200 0.128 0.000 1.005 434 S CB -0.377 62.862 63.200 0.064 0.000 0.867 434 S HN 0.697 nan 8.310 nan 0.000 0.449 435 E N 1.315 121.599 120.200 0.140 0.000 2.085 435 E HA -0.149 4.201 4.350 0.000 0.000 0.194 435 E C 2.449 179.128 176.600 0.133 0.000 0.994 435 E CA 1.531 58.007 56.400 0.126 0.000 0.801 435 E CB -0.290 29.467 29.700 0.095 0.000 0.743 435 E HN 0.650 nan 8.360 nan 0.000 0.453 436 S N 0.767 116.556 115.700 0.148 0.000 2.383 436 S HA -0.165 4.305 4.470 0.000 0.000 0.227 436 S C 1.925 176.624 174.600 0.166 0.000 1.026 436 S CA 0.601 58.887 58.200 0.143 0.000 0.981 436 S CB -0.544 62.746 63.200 0.150 0.000 0.818 436 S HN 0.304 nan 8.310 nan 0.000 0.472 437 F N 2.212 122.222 119.950 0.100 0.000 2.171 437 F HA 0.023 4.550 4.527 0.000 0.000 0.300 437 F C 2.330 178.212 175.800 0.137 0.000 1.090 437 F CA 1.362 59.437 58.000 0.125 0.000 1.293 437 F CB -0.305 38.746 39.000 0.086 0.000 1.013 437 F HN 0.086 nan 8.300 nan 0.000 0.486 438 M N 0.184 119.874 119.600 0.150 0.000 2.117 438 M HA -0.189 4.291 4.480 0.000 0.000 0.262 438 M C 2.228 178.508 176.300 -0.033 0.000 1.065 438 M CA 1.617 56.955 55.300 0.064 0.000 1.114 438 M CB -1.170 31.506 32.600 0.125 0.000 1.361 438 M HN 0.093 nan 8.290 nan 0.000 0.408 439 K N -0.346 120.058 120.400 0.007 0.000 2.097 439 K HA -0.203 4.117 4.320 0.000 0.000 0.206 439 K C 1.963 178.539 176.600 -0.040 0.000 1.049 439 K CA 1.722 58.008 56.287 -0.001 0.000 0.933 439 K CB -0.554 31.968 32.500 0.037 0.000 0.717 439 K HN 0.364 nan 8.250 nan 0.000 0.442 440 H N -0.221 118.750 119.070 -0.165 0.000 2.321 440 H HA -0.017 4.539 4.556 0.000 0.000 0.300 440 H C 1.962 177.112 175.328 -0.296 0.000 1.087 440 H CA 2.381 58.295 56.048 -0.224 0.000 1.319 440 H CB -0.157 29.422 29.762 -0.305 0.000 1.379 440 H HN 0.224 nan 8.280 nan 0.000 0.501 441 M N -0.080 119.158 119.600 -0.604 0.000 2.117 441 M HA -0.215 4.265 4.480 0.000 0.000 0.262 441 M C 2.477 178.679 176.300 -0.164 0.000 1.065 441 M CA 2.014 57.027 55.300 -0.478 0.000 1.114 441 M CB -0.163 32.238 32.600 -0.333 0.000 1.361 441 M HN 0.544 nan 8.290 nan 0.000 0.408 442 Q N 0.278 120.003 119.800 -0.126 0.000 2.050 442 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 442 Q C 1.401 177.363 176.000 -0.062 0.000 0.980 442 Q CA 1.789 57.562 55.803 -0.051 0.000 0.840 442 Q CB -0.205 28.502 28.738 -0.051 0.000 0.898 442 Q HN 0.540 nan 8.270 nan 0.000 0.424 443 N N 0.784 119.411 118.700 -0.121 0.000 2.149 443 N HA -0.171 4.569 4.740 0.000 0.000 0.188 443 N C 1.589 177.002 175.510 -0.162 0.000 1.019 443 N CA 1.408 54.396 53.050 -0.103 0.000 0.857 443 N CB -0.279 38.169 38.487 -0.064 0.000 0.997 443 N HN 0.311 nan 8.380 nan 0.000 0.426 444 E N -0.231 119.775 120.200 -0.324 0.000 2.106 444 E HA -0.061 4.289 4.350 0.000 0.000 0.192 444 E C 1.504 177.904 176.600 -0.333 0.000 0.984 444 E CA 0.879 57.034 56.400 -0.408 0.000 0.806 444 E CB -0.177 29.127 29.700 -0.661 0.000 0.750 444 E HN 0.425 nan 8.360 nan 0.000 0.458 445 Y N -0.097 120.092 120.300 -0.185 0.000 2.263 445 Y HA -0.034 4.517 4.550 0.000 0.000 0.292 445 Y C 2.459 178.306 175.900 -0.088 0.000 1.130 445 Y CA 1.487 59.516 58.100 -0.119 0.000 1.179 445 Y CB -0.017 38.373 38.460 -0.117 0.000 0.998 445 Y HN -0.040 nan 8.280 nan 0.000 0.532 446 R N 0.122 120.645 120.500 0.038 0.000 2.066 446 R HA -0.139 4.201 4.340 0.000 0.000 0.232 446 R C 2.309 178.598 176.300 -0.019 0.000 1.131 446 R CA 1.237 57.344 56.100 0.011 0.000 0.955 446 R CB -0.384 29.915 30.300 -0.001 0.000 0.851 446 R HN 0.293 nan 8.270 nan 0.000 0.432 447 A N 1.551 124.339 122.820 -0.054 0.000 1.873 447 A HA -0.153 4.167 4.320 0.000 0.000 0.215 447 A C 1.735 179.273 177.584 -0.076 0.000 1.186 447 A CA 1.659 53.660 52.037 -0.060 0.000 0.616 447 A CB -0.159 18.798 19.000 -0.072 0.000 0.823 447 A HN 0.564 nan 8.150 nan 0.000 0.442 448 R N -2.694 117.731 120.500 -0.125 0.000 2.544 448 R HA 0.391 4.732 4.340 0.000 0.000 0.426 448 R C 0.661 176.886 176.300 -0.125 0.000 0.943 448 R CA 0.384 56.413 56.100 -0.118 0.000 1.162 448 R CB -0.743 29.472 30.300 -0.141 0.000 1.588 448 R HN 0.893 nan 8.270 nan 0.000 0.563 449 G N 0.103 108.832 108.800 -0.118 0.000 2.295 449 G HA2 -0.044 3.916 3.960 0.000 0.000 0.287 449 G HA3 -0.044 3.916 3.960 0.000 0.000 0.287 449 G C 0.251 175.004 174.900 -0.244 0.000 1.055 449 G CA 0.267 45.329 45.100 -0.063 0.000 0.922 449 G HN 0.999 nan 8.290 nan 0.000 0.503 450 G N -2.570 105.756 108.800 -0.789 0.000 2.347 450 G HA2 0.550 4.510 3.960 0.000 0.000 0.303 450 G HA3 0.550 4.510 3.960 0.000 0.000 0.303 450 G C -0.812 173.601 174.900 -0.812 0.000 1.481 450 G CA 0.249 44.763 45.100 -0.977 0.000 0.914 450 G HN 1.934 nan 8.290 nan 0.000 0.638 451 C N 2.517 121.513 119.300 -0.507 0.000 3.044 451 C HA 0.630 5.090 4.460 0.000 0.000 0.382 451 C C -2.558 172.303 174.990 -0.216 0.000 1.071 451 C CA -1.139 57.690 59.018 -0.316 0.000 1.296 451 C CB 0.988 28.542 27.740 -0.310 0.000 1.730 451 C HN 0.710 nan 8.230 nan 0.000 0.513 452 P HA 0.360 nan 4.420 nan 0.000 0.267 452 P C -0.550 176.589 177.300 -0.269 0.000 1.209 452 P CA 0.738 63.330 63.100 -0.847 0.000 0.763 452 P CB 0.938 31.997 31.700 -1.068 0.000 0.816 453 A N 2.826 125.571 122.820 -0.125 0.000 2.455 453 A HA 0.427 4.747 4.320 0.000 0.000 0.300 453 A C -0.984 176.637 177.584 0.063 0.000 1.040 453 A CA -0.544 51.529 52.037 0.059 0.000 0.697 453 A CB 1.266 20.416 19.000 0.251 0.000 1.265 453 A HN 0.432 nan 8.150 nan 0.000 0.407 454 D N 2.078 122.513 120.400 0.059 0.000 2.467 454 D HA 0.156 4.796 4.640 0.000 0.000 0.220 454 D C 0.818 177.240 176.300 0.204 0.000 1.103 454 D CA -0.551 53.535 54.000 0.144 0.000 0.886 454 D CB 0.296 41.155 40.800 0.098 0.000 1.025 454 D HN 0.588 nan 8.370 nan 0.000 0.514 455 W N 4.409 125.740 121.300 0.053 0.000 2.304 455 W HA -0.248 4.412 4.660 0.000 0.000 0.315 455 W C 1.728 178.279 176.519 0.052 0.000 1.233 455 W CA 1.392 58.752 57.345 0.025 0.000 1.261 455 W CB -0.120 29.341 29.460 0.002 0.000 1.150 455 W HN 0.481 nan 8.180 nan 0.000 0.494 456 I N -1.082 119.803 120.570 0.525 0.000 2.423 456 I HA -0.302 3.868 4.170 0.000 0.000 0.254 456 I C 1.674 177.925 176.117 0.223 0.000 1.151 456 I CA 1.384 62.933 61.300 0.416 0.000 1.421 456 I CB -0.601 37.661 38.000 0.436 0.000 1.079 456 I HN 0.130 nan 8.210 nan 0.000 0.431 457 W N -0.081 121.209 121.300 -0.015 0.000 2.762 457 W HA 0.175 4.835 4.660 0.000 0.000 0.265 457 W C 2.136 178.550 176.519 -0.175 0.000 1.263 457 W CA 0.103 57.408 57.345 -0.066 0.000 1.411 457 W CB -0.234 29.215 29.460 -0.019 0.000 1.065 457 W HN -0.064 nan 8.180 nan 0.000 0.609 458 L N -0.212 120.970 121.223 -0.069 0.000 2.313 458 L HA 0.016 4.356 4.340 0.000 0.000 0.214 458 L C 0.535 177.183 176.870 -0.369 0.000 1.119 458 L CA 0.384 55.045 54.840 -0.299 0.000 0.809 458 L CB -0.706 41.066 42.059 -0.478 0.000 0.933 458 L HN -0.400 nan 8.230 nan 0.000 0.449 459 V N 1.285 120.916 119.914 -0.471 0.000 2.432 459 V HA 0.184 4.304 4.120 0.000 0.000 0.271 459 V C -1.888 174.028 176.094 -0.296 0.000 1.046 459 V CA -1.539 60.472 62.300 -0.481 0.000 0.945 459 V CB 0.591 31.908 31.823 -0.843 0.000 0.992 459 V HN 0.021 nan 8.190 nan 0.000 0.471 460 P HA 0.027 nan 4.420 nan 0.000 0.266 460 P C -1.834 175.354 177.300 -0.186 0.000 1.186 460 P CA -0.715 62.276 63.100 -0.182 0.000 0.767 460 P CB 0.081 31.718 31.700 -0.104 0.000 0.820 461 P HA 0.001 nan 4.420 nan 0.000 0.247 461 P C -0.150 177.056 177.300 -0.158 0.000 1.225 461 P CA 0.938 63.928 63.100 -0.184 0.000 0.768 461 P CB 0.463 32.037 31.700 -0.210 0.000 1.020 462 V N -0.989 118.825 119.914 -0.167 0.000 2.969 462 V HA 0.223 4.343 4.120 0.000 0.000 0.304 462 V C 0.018 176.083 176.094 -0.048 0.000 1.192 462 V CA -0.419 61.807 62.300 -0.122 0.000 0.962 462 V CB 1.900 33.616 31.823 -0.179 0.000 1.045 462 V HN -0.007 nan 8.190 nan 0.000 0.428 463 S N 2.887 118.578 115.700 -0.016 0.000 3.698 463 S HA -0.186 4.284 4.470 0.000 0.000 0.338 463 S C 1.454 176.017 174.600 -0.060 0.000 1.089 463 S CA 1.094 59.298 58.200 0.005 0.000 0.991 463 S CB -1.355 61.914 63.200 0.114 0.000 0.909 463 S HN 1.678 nan 8.310 nan 0.000 0.485 464 G N 2.607 111.349 108.800 -0.098 0.000 2.764 464 G HA2 -0.358 3.602 3.960 0.000 0.000 0.219 464 G HA3 -0.358 3.602 3.960 0.000 0.000 0.219 464 G C 1.540 176.223 174.900 -0.361 0.000 1.259 464 G CA 1.853 46.878 45.100 -0.126 0.000 0.793 464 G HN 1.357 nan 8.290 nan 0.000 0.633 465 S N 0.334 115.491 115.700 -0.905 0.000 2.469 465 S HA -0.033 4.437 4.470 0.000 0.000 0.238 465 S C 2.127 176.610 174.600 -0.195 0.000 0.998 465 S CA 1.112 58.636 58.200 -1.127 0.000 0.957 465 S CB -0.174 62.342 63.200 -1.140 0.000 0.764 465 S HN 0.213 nan 8.310 nan 0.000 0.514 466 I N 1.769 122.280 120.570 -0.099 0.000 3.001 466 I HA 0.063 4.233 4.170 0.000 0.000 0.268 466 I C 0.973 177.164 176.117 0.123 0.000 1.267 466 I CA 0.573 61.907 61.300 0.057 0.000 1.472 466 I CB -1.977 36.083 38.000 0.100 0.000 1.089 466 I HN 0.269 nan 8.210 nan 0.000 0.468 467 T N 2.583 117.179 114.554 0.070 0.000 2.882 467 T HA 0.215 4.565 4.350 0.000 0.000 0.287 467 T C -1.439 173.391 174.700 0.217 0.000 0.992 467 T CA -1.080 61.077 62.100 0.096 0.000 1.076 467 T CB 2.269 71.133 68.868 -0.007 0.000 0.961 467 T HN -0.061 nan 8.240 nan 0.000 0.490 468 P HA -0.080 nan 4.420 nan 0.000 0.217 468 P C 1.679 179.156 177.300 0.296 0.000 1.150 468 P CA 0.604 63.880 63.100 0.292 0.000 0.832 468 P CB -0.154 31.665 31.700 0.198 0.000 0.787 469 V N -3.356 116.670 119.914 0.186 0.000 2.720 469 V HA -0.209 3.911 4.120 0.000 0.000 0.256 469 V C 2.059 178.201 176.094 0.079 0.000 1.082 469 V CA 1.359 63.731 62.300 0.121 0.000 1.101 469 V CB -2.003 29.799 31.823 -0.034 0.000 0.693 469 V HN -0.054 nan 8.190 nan 0.000 0.479 470 F N 1.781 121.662 119.950 -0.115 0.000 2.216 470 F HA -0.105 4.422 4.527 0.000 0.000 0.300 470 F C 2.355 178.252 175.800 0.161 0.000 1.085 470 F CA 2.111 60.061 58.000 -0.085 0.000 1.326 470 F CB -0.253 38.579 39.000 -0.279 0.000 1.027 470 F HN 0.315 nan 8.300 nan 0.000 0.497 471 H N -1.027 118.383 119.070 0.568 0.000 2.539 471 H HA 0.130 4.686 4.556 0.000 0.000 0.269 471 H C 0.261 175.836 175.328 0.412 0.000 0.980 471 H CA 0.170 56.510 56.048 0.487 0.000 1.152 471 H CB -0.089 29.929 29.762 0.425 0.000 1.407 471 H HN 0.243 nan 8.280 nan 0.000 0.564 472 Q N 2.056 122.122 119.800 0.442 0.000 2.340 472 Q HA 0.151 4.491 4.340 0.000 0.000 0.259 472 Q C -0.598 175.613 176.000 0.351 0.000 0.964 472 Q CA -0.372 55.631 55.803 0.333 0.000 0.900 472 Q CB 0.691 29.596 28.738 0.277 0.000 1.228 472 Q HN 0.233 nan 8.270 nan 0.000 0.449 473 E N 4.192 124.544 120.200 0.254 0.000 2.373 473 E HA 0.311 4.661 4.350 0.000 0.000 0.267 473 E C -0.330 176.377 176.600 0.178 0.000 1.032 473 E CA 0.192 56.703 56.400 0.185 0.000 0.889 473 E CB 0.650 30.441 29.700 0.152 0.000 0.984 473 E HN 0.643 nan 8.360 nan 0.000 0.425 474 M N 0.878 120.593 119.600 0.191 0.000 2.575 474 M HA 0.465 4.946 4.480 0.000 0.000 0.284 474 M C -1.577 174.822 176.300 0.165 0.000 1.253 474 M CA -1.290 54.136 55.300 0.210 0.000 0.861 474 M CB 1.261 34.032 32.600 0.286 0.000 1.733 474 M HN 0.113 nan 8.290 nan 0.000 0.462 475 L N 2.389 123.721 121.223 0.182 0.000 2.322 475 L HA 0.551 4.891 4.340 0.000 0.000 0.281 475 L C -0.608 176.331 176.870 0.116 0.000 1.014 475 L CA -0.146 54.802 54.840 0.179 0.000 0.815 475 L CB 1.317 43.516 42.059 0.233 0.000 1.247 475 L HN 0.746 nan 8.230 nan 0.000 0.421 476 N N 3.130 121.858 118.700 0.047 0.000 2.419 476 N HA 0.555 5.295 4.740 0.000 0.000 0.277 476 N C -1.499 173.752 175.510 -0.432 0.000 1.006 476 N CA -0.184 52.755 53.050 -0.185 0.000 0.923 476 N CB 0.723 39.197 38.487 -0.021 0.000 1.140 476 N HN 0.409 nan 8.380 nan 0.000 0.488 477 Y N -0.199 119.774 120.300 -0.545 0.000 2.581 477 Y HA 0.556 5.106 4.550 0.000 0.000 0.337 477 Y C -1.187 174.410 175.900 -0.505 0.000 1.108 477 Y CA -1.342 56.348 58.100 -0.683 0.000 1.033 477 Y CB 0.538 38.790 38.460 -0.347 0.000 1.318 477 Y HN 0.010 nan 8.280 nan 0.000 0.459 478 V N 4.412 124.099 119.914 -0.379 0.000 2.385 478 V HA 0.346 4.466 4.120 0.000 0.000 0.269 478 V C 0.211 176.102 176.094 -0.338 0.000 1.043 478 V CA -0.318 61.636 62.300 -0.578 0.000 0.906 478 V CB 0.417 31.806 31.823 -0.722 0.000 0.995 478 V HN 0.754 nan 8.190 nan 0.000 0.467 479 L N 3.065 124.137 121.223 -0.252 0.000 2.805 479 L HA 0.735 5.075 4.340 0.000 0.000 0.242 479 L C 0.323 177.143 176.870 -0.084 0.000 1.180 479 L CA -0.445 54.352 54.840 -0.071 0.000 1.001 479 L CB 1.504 43.576 42.059 0.022 0.000 1.864 479 L HN 0.620 nan 8.230 nan 0.000 0.551 480 S N -0.198 115.502 115.700 -0.002 0.000 2.543 480 S HA 0.483 4.953 4.470 0.000 0.000 0.273 480 S C -2.779 171.857 174.600 0.060 0.000 1.152 480 S CA -1.094 57.123 58.200 0.028 0.000 0.910 480 S CB 1.893 65.098 63.200 0.008 0.000 1.105 480 S HN 0.225 nan 8.310 nan 0.000 0.465 481 P HA 0.376 nan 4.420 nan 0.000 0.271 481 P C -1.057 176.210 177.300 -0.055 0.000 1.233 481 P CA -0.150 62.924 63.100 -0.043 0.000 0.789 481 P CB 0.255 31.870 31.700 -0.141 0.000 0.951 482 F N 0.123 119.874 119.950 -0.332 0.000 2.654 482 F HA 0.400 4.927 4.527 0.000 0.000 0.308 482 F C -1.459 174.033 175.800 -0.513 0.000 1.108 482 F CA -0.870 56.845 58.000 -0.475 0.000 0.957 482 F CB 1.332 40.036 39.000 -0.493 0.000 1.309 482 F HN 0.113 nan 8.300 nan 0.000 0.446 483 Y N 4.153 123.976 120.300 -0.794 0.000 2.385 483 Y HA 0.438 4.988 4.550 0.000 0.000 0.341 483 Y C -0.894 174.689 175.900 -0.528 0.000 0.965 483 Y CA -0.776 57.040 58.100 -0.473 0.000 1.180 483 Y CB 0.294 38.470 38.460 -0.474 0.000 1.139 483 Y HN 0.373 nan 8.280 nan 0.000 0.502 484 Y N 1.294 121.651 120.300 0.095 0.000 2.488 484 Y HA 0.417 4.967 4.550 0.000 0.000 0.325 484 Y C -0.314 175.612 175.900 0.043 0.000 1.204 484 Y CA -1.007 57.147 58.100 0.091 0.000 1.229 484 Y CB 0.910 39.478 38.460 0.180 0.000 1.274 484 Y HN 0.405 nan 8.280 nan 0.000 0.493 485 Y N 0.678 121.150 120.300 0.287 0.000 2.334 485 Y HA 0.372 4.922 4.550 0.000 0.000 0.325 485 Y C -0.026 175.940 175.900 0.110 0.000 1.308 485 Y CA -1.158 57.025 58.100 0.138 0.000 1.389 485 Y CB 0.823 39.333 38.460 0.084 0.000 1.328 485 Y HN 0.436 nan 8.280 nan 0.000 0.532 486 Q N -0.013 119.910 119.800 0.204 0.000 2.456 486 Q HA 0.577 4.918 4.340 0.000 0.000 0.284 486 Q C -1.498 174.463 176.000 -0.066 0.000 1.061 486 Q CA -0.998 54.836 55.803 0.053 0.000 0.799 486 Q CB 2.145 30.896 28.738 0.021 0.000 1.445 486 Q HN 0.572 nan 8.270 nan 0.000 0.411 487 I N 1.707 122.204 120.570 -0.121 0.000 2.618 487 I HA -0.026 4.144 4.170 0.000 0.000 0.284 487 I C 0.266 176.150 176.117 -0.388 0.000 1.146 487 I CA 0.096 61.267 61.300 -0.214 0.000 1.425 487 I CB 0.417 38.310 38.000 -0.179 0.000 1.383 487 I HN 0.566 nan 8.210 nan 0.000 0.562 488 E N 9.095 128.963 120.200 -0.554 0.000 2.606 488 E HA -0.081 4.269 4.350 0.000 0.000 0.248 488 E C -1.319 174.563 176.600 -1.197 0.000 1.005 488 E CA -0.899 54.866 56.400 -1.058 0.000 0.946 488 E CB 0.175 29.038 29.700 -1.395 0.000 0.928 488 E HN 0.440 nan 8.360 nan 0.000 0.494 489 P HA -0.243 nan 4.420 nan 0.000 0.219 489 P C 1.102 177.777 177.300 -1.042 0.000 1.161 489 P CA 1.847 64.277 63.100 -1.118 0.000 0.909 489 P CB -0.319 30.378 31.700 -1.671 0.000 0.793 490 W N 1.041 121.713 121.300 -1.047 0.000 2.424 490 W HA -0.029 4.631 4.660 0.000 0.000 0.264 490 W C 1.768 178.279 176.519 -0.013 0.000 1.229 490 W CA 0.818 57.928 57.345 -0.391 0.000 1.208 490 W CB -1.556 27.889 29.460 -0.025 0.000 1.127 490 W HN -0.028 nan 8.180 nan 0.000 0.588 491 K N -0.137 120.061 120.400 -0.336 0.000 2.098 491 K HA -0.038 4.282 4.320 0.000 0.000 0.203 491 K C 0.895 177.482 176.600 -0.023 0.000 1.051 491 K CA 1.473 57.694 56.287 -0.110 0.000 0.957 491 K CB -0.320 32.032 32.500 -0.246 0.000 0.738 491 K HN 0.032 nan 8.250 nan 0.000 0.447 492 T N 1.009 115.505 114.554 -0.096 0.000 3.253 492 T HA 0.159 4.509 4.350 0.000 0.000 0.391 492 T C -1.804 172.930 174.700 0.057 0.000 1.527 492 T CA -0.566 61.520 62.100 -0.022 0.000 1.268 492 T CB -0.208 68.616 68.868 -0.073 0.000 1.126 492 T HN 0.179 nan 8.240 nan 0.000 0.620 493 H N 3.046 122.124 119.070 0.014 0.000 2.966 493 H HA 0.469 5.025 4.556 0.000 0.000 0.347 493 H C -0.904 174.433 175.328 0.014 0.000 1.048 493 H CA -0.782 55.256 56.048 -0.016 0.000 1.295 493 H CB 0.969 30.723 29.762 -0.014 0.000 1.744 493 H HN 0.498 nan 8.280 nan 0.000 0.513 494 I N 5.251 125.484 120.570 -0.560 0.000 2.322 494 I HA 0.082 4.252 4.170 0.000 0.000 0.292 494 I C -0.095 175.684 176.117 -0.563 0.000 1.060 494 I CA -0.190 60.897 61.300 -0.355 0.000 1.309 494 I CB 0.218 38.081 38.000 -0.228 0.000 1.415 494 I HN 0.432 nan 8.210 nan 0.000 0.492 495 W N 5.005 126.190 121.300 -0.192 0.000 1.870 495 W HA 0.205 4.865 4.660 0.000 0.000 0.428 495 W C 0.947 177.440 176.519 -0.045 0.000 1.853 495 W CA -0.148 57.156 57.345 -0.069 0.000 2.054 495 W CB 0.219 29.710 29.460 0.053 0.000 1.431 495 W HN 0.420 nan 8.180 nan 0.000 0.739 496 Q N 0.000 119.981 119.800 0.301 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.897 55.803 0.157 0.000 1.022 496 Q CB 0.000 28.828 28.738 0.149 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481