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 2jg3_1_D DATA FIRST_RESID 23 DATA SEQUENCE TPPEVVDFMV SLAEAPRGGR VLEPACAHGP FLRAFREAHG TAYRFVGVEI DATA SEQUENCE DPKALDLPPW AEGILADFLL WEPGEAFDLI LGNPPYGIVG EASKYPIHVF DATA SEQUENCE KAVKDLYKKA FSTWKGKYNL YGAFLEKAVR LLKPGGVLVF VVPATWLVLE DATA SEQUENCE DFALLREFLA REGKTSVYYL GEVFPQKKVS AVVIRFQKSG KGLSLWDTQE DATA SEQUENCE SESGFTPILW AEYPHWEGEI IRFETEETRK LEISGMPLGD LFHIRFAARS DATA SEQUENCE PEFKKHPAVR KEPGPGLVPV LTGRNLKPGW VDYEKNHSGL WMPKERAKEL DATA SEQUENCE RDFYATPHLV VAHTKGTRVV AAWDERAYPW REEFHLLPKE GVRLDPSSLV DATA SEQUENCE QWLNSEAMQK HVRTLYRDFV PHLTLRMLER LPVRREYGFH TS 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 23 T HA 0.000 nan 4.350 nan 0.000 0.228 23 T C 0.000 174.736 174.700 0.060 0.000 1.109 23 T CA 0.000 62.221 62.100 0.201 0.000 1.349 23 T CB 0.000 68.988 68.868 0.200 0.000 0.612 24 P HA 0.194 nan 4.420 nan 0.000 0.265 24 P C -1.883 175.402 177.300 -0.026 0.000 1.193 24 P CA -0.990 62.099 63.100 -0.018 0.000 0.765 24 P CB 0.098 31.757 31.700 -0.068 0.000 0.823 25 P HA -0.219 nan 4.420 nan 0.000 0.216 25 P C 1.091 178.379 177.300 -0.019 0.000 1.154 25 P CA 1.502 64.576 63.100 -0.044 0.000 0.865 25 P CB 0.108 31.783 31.700 -0.041 0.000 0.789 26 E N -0.959 119.235 120.200 -0.010 0.000 2.110 26 E HA -0.109 4.241 4.350 0.001 0.000 0.193 26 E C 1.990 178.709 176.600 0.199 0.000 0.988 26 E CA 0.830 57.230 56.400 0.001 0.000 0.804 26 E CB -1.101 28.520 29.700 -0.130 0.000 0.745 26 E HN 0.057 nan 8.360 nan 0.000 0.458 27 V N -0.020 120.029 119.914 0.226 0.000 2.323 27 V HA -0.208 3.913 4.120 0.001 0.000 0.244 27 V C 2.196 178.433 176.094 0.238 0.000 1.041 27 V CA 1.231 63.696 62.300 0.275 0.000 1.025 27 V CB -0.409 31.455 31.823 0.068 0.000 0.656 27 V HN 0.134 nan 8.190 nan 0.000 0.451 28 V N 0.497 120.461 119.914 0.083 0.000 2.287 28 V HA -0.336 3.785 4.120 0.001 0.000 0.248 28 V C 2.453 178.596 176.094 0.081 0.000 1.053 28 V CA 2.456 64.739 62.300 -0.029 0.000 1.027 28 V CB -0.758 30.857 31.823 -0.347 0.000 0.646 28 V HN 0.682 nan 8.190 nan 0.000 0.447 29 D N -0.567 119.880 120.400 0.077 0.000 2.133 29 D HA -0.259 4.381 4.640 0.001 0.000 0.192 29 D C 2.087 178.490 176.300 0.172 0.000 1.001 29 D CA 1.900 55.956 54.000 0.092 0.000 0.844 29 D CB -0.065 40.770 40.800 0.059 0.000 0.944 29 D HN 0.417 nan 8.370 nan 0.000 0.447 30 F N 1.131 121.133 119.950 0.086 0.000 2.113 30 F HA -0.068 4.459 4.527 0.001 0.000 0.297 30 F C 2.507 178.320 175.800 0.021 0.000 1.103 30 F CA 1.234 59.279 58.000 0.074 0.000 1.248 30 F CB -0.646 38.466 39.000 0.187 0.000 0.999 30 F HN -0.101 nan 8.300 nan 0.000 0.475 31 M N -0.482 119.043 119.600 -0.126 0.000 2.108 31 M HA -0.206 4.274 4.480 0.001 0.000 0.261 31 M C 2.048 178.318 176.300 -0.050 0.000 1.066 31 M CA 1.592 56.774 55.300 -0.197 0.000 1.107 31 M CB -0.678 31.996 32.600 0.123 0.000 1.356 31 M HN 0.040 nan 8.290 nan 0.000 0.406 32 V N 0.232 120.216 119.914 0.117 0.000 2.407 32 V HA -0.233 3.888 4.120 0.001 0.000 0.248 32 V C 2.528 178.718 176.094 0.160 0.000 1.055 32 V CA 2.091 64.521 62.300 0.217 0.000 1.049 32 V CB -0.894 31.065 31.823 0.228 0.000 0.662 32 V HN 0.644 nan 8.190 nan 0.000 0.455 33 S N -0.352 115.370 115.700 0.037 0.000 2.469 33 S HA -0.066 4.404 4.470 0.001 0.000 0.238 33 S C 1.745 176.310 174.600 -0.059 0.000 0.998 33 S CA 1.306 59.512 58.200 0.010 0.000 0.957 33 S CB -0.412 62.802 63.200 0.023 0.000 0.764 33 S HN 0.569 nan 8.310 nan 0.000 0.514 34 L N 0.573 121.682 121.223 -0.190 0.000 2.463 34 L HA 0.412 4.753 4.340 0.001 0.000 0.219 34 L C 1.424 178.231 176.870 -0.106 0.000 1.088 34 L CA 0.164 54.853 54.840 -0.251 0.000 0.849 34 L CB -0.386 41.347 42.059 -0.544 0.000 1.012 34 L HN 0.354 nan 8.230 nan 0.000 0.468 35 A N 1.338 124.148 122.820 -0.016 0.000 2.322 35 A HA 0.517 4.837 4.320 0.001 0.000 0.269 35 A C -0.168 177.443 177.584 0.044 0.000 1.094 35 A CA -0.134 51.922 52.037 0.031 0.000 0.807 35 A CB 0.344 19.417 19.000 0.122 0.000 1.047 35 A HN 0.357 nan 8.150 nan 0.000 0.487 36 E N -0.370 119.836 120.200 0.011 0.000 2.375 36 E HA 0.676 5.026 4.350 0.001 0.000 0.280 36 E C -1.066 175.535 176.600 0.002 0.000 0.972 36 E CA -0.866 55.538 56.400 0.007 0.000 0.782 36 E CB 1.679 31.393 29.700 0.023 0.000 1.229 36 E HN 1.149 nan 8.360 nan 0.000 0.439 37 A N 2.170 125.044 122.820 0.090 0.000 2.572 37 A HA 0.751 5.072 4.320 0.001 0.000 0.295 37 A C -2.737 174.996 177.584 0.247 0.000 1.072 37 A CA -1.394 50.708 52.037 0.107 0.000 0.691 37 A CB 1.152 20.148 19.000 -0.007 0.000 1.291 37 A HN 0.555 nan 8.150 nan 0.000 0.404 38 P HA 0.205 nan 4.420 nan 0.000 0.272 38 P C -0.405 176.975 177.300 0.133 0.000 1.223 38 P CA -0.286 62.891 63.100 0.128 0.000 0.784 38 P CB 0.433 32.171 31.700 0.063 0.000 0.923 39 R N 0.570 121.082 120.500 0.020 0.000 2.585 39 R HA 0.198 4.539 4.340 0.001 0.000 0.275 39 R C 1.381 177.599 176.300 -0.138 0.000 1.018 39 R CA 1.412 57.420 56.100 -0.154 0.000 1.072 39 R CB -0.543 29.681 30.300 -0.126 0.000 0.953 39 R HN 0.907 nan 8.270 nan 0.000 0.419 40 G N 2.043 110.694 108.800 -0.248 0.000 2.184 40 G HA2 -0.270 3.691 3.960 0.001 0.000 0.264 40 G HA3 -0.270 3.691 3.960 0.001 0.000 0.264 40 G C 0.525 175.408 174.900 -0.027 0.000 0.975 40 G CA 0.068 45.094 45.100 -0.123 0.000 0.642 40 G HN 0.915 nan 8.290 nan 0.000 0.536 41 G N -0.469 108.369 108.800 0.062 0.000 2.554 41 G HA2 0.443 4.404 3.960 0.001 0.000 0.238 41 G HA3 0.443 4.404 3.960 0.001 0.000 0.238 41 G C 0.223 175.170 174.900 0.079 0.000 1.259 41 G CA -0.338 44.830 45.100 0.113 0.000 0.843 41 G HN 0.564 nan 8.290 nan 0.000 0.582 42 R N 0.037 120.563 120.500 0.044 0.000 2.221 42 R HA 0.392 4.733 4.340 0.001 0.000 0.327 42 R C -0.711 175.702 176.300 0.189 0.000 1.033 42 R CA -0.400 55.751 56.100 0.084 0.000 0.887 42 R CB 1.530 31.797 30.300 -0.055 0.000 1.057 42 R HN 0.245 nan 8.270 nan 0.000 0.455 43 V N 5.329 125.291 119.914 0.080 0.000 2.448 43 V HA 0.346 4.466 4.120 0.001 0.000 0.295 43 V C -0.814 175.292 176.094 0.020 0.000 1.025 43 V CA -0.882 61.359 62.300 -0.098 0.000 0.859 43 V CB 1.609 33.124 31.823 -0.514 0.000 0.988 43 V HN 0.482 nan 8.190 nan 0.000 0.431 44 L N 4.173 125.314 121.223 -0.137 0.000 2.333 44 L HA 0.607 4.947 4.340 0.001 0.000 0.280 44 L C -0.220 176.540 176.870 -0.184 0.000 1.004 44 L CA -0.057 54.614 54.840 -0.281 0.000 0.820 44 L CB 1.730 43.290 42.059 -0.832 0.000 1.247 44 L HN 0.796 nan 8.230 nan 0.000 0.416 45 E N 6.793 126.922 120.200 -0.118 0.000 2.055 45 E HA 0.447 4.798 4.350 0.001 0.000 0.274 45 E C -2.491 173.973 176.600 -0.227 0.000 0.949 45 E CA -2.135 54.189 56.400 -0.126 0.000 0.775 45 E CB 1.072 30.765 29.700 -0.011 0.000 1.097 45 E HN 0.429 nan 8.360 nan 0.000 0.404 46 P HA 0.131 nan 4.420 nan 0.000 0.277 46 P C -0.861 176.253 177.300 -0.310 0.000 1.240 46 P CA 0.019 62.787 63.100 -0.553 0.000 0.798 46 P CB 1.215 32.203 31.700 -1.186 0.000 0.979 47 A N 1.424 124.140 122.820 -0.174 0.000 2.610 47 A HA -0.240 4.081 4.320 0.001 0.000 0.299 47 A C 1.386 178.887 177.584 -0.138 0.000 1.487 47 A CA 0.970 52.938 52.037 -0.115 0.000 0.743 47 A CB -2.361 16.522 19.000 -0.195 0.000 1.070 47 A HN 0.801 nan 8.150 nan 0.000 0.439 48 C N -2.422 116.805 119.300 -0.122 0.000 2.485 48 C HA 0.466 4.927 4.460 0.001 0.000 0.277 48 C C 2.346 177.271 174.990 -0.108 0.000 1.376 48 C CA 0.727 59.681 59.018 -0.107 0.000 1.759 48 C CB -1.273 26.405 27.740 -0.104 0.000 1.970 48 C HN 2.655 nan 8.230 nan 0.000 0.509 49 A N 2.428 125.205 122.820 -0.071 0.000 5.236 49 A HA -0.408 3.912 4.320 0.001 0.000 0.326 49 A C 1.368 178.947 177.584 -0.008 0.000 1.825 49 A CA 2.607 54.634 52.037 -0.017 0.000 0.710 49 A CB -2.482 16.544 19.000 0.045 0.000 1.383 49 A HN 1.381 nan 8.150 nan 0.000 0.386 50 H N 0.232 119.272 119.070 -0.051 0.000 2.547 50 H HA 0.457 5.013 4.556 0.001 0.000 0.266 50 H C 1.232 176.521 175.328 -0.065 0.000 0.988 50 H CA 0.966 56.976 56.048 -0.064 0.000 1.147 50 H CB -0.571 29.156 29.762 -0.059 0.000 1.365 50 H HN 2.370 nan 8.280 nan 0.000 0.589 51 G N 1.691 110.263 108.800 -0.380 0.000 2.326 51 G HA2 -0.222 3.738 3.960 0.001 0.000 0.286 51 G HA3 -0.222 3.738 3.960 0.001 0.000 0.286 51 G C -1.308 173.445 174.900 -0.244 0.000 1.096 51 G CA 0.064 45.023 45.100 -0.236 0.000 1.003 51 G HN 0.485 nan 8.290 nan 0.000 0.503 52 P HA -0.068 nan 4.420 nan 0.000 0.218 52 P C 1.569 178.763 177.300 -0.176 0.000 1.149 52 P CA 0.851 63.773 63.100 -0.297 0.000 0.817 52 P CB -0.008 31.464 31.700 -0.381 0.000 0.785 53 F N -0.188 119.746 119.950 -0.026 0.000 2.206 53 F HA -0.025 4.503 4.527 0.001 0.000 0.298 53 F C 2.576 178.473 175.800 0.161 0.000 1.090 53 F CA 0.954 58.991 58.000 0.062 0.000 1.323 53 F CB -1.245 37.774 39.000 0.032 0.000 1.028 53 F HN -0.273 nan 8.300 nan 0.000 0.492 54 L N -0.361 121.059 121.223 0.329 0.000 2.012 54 L HA -0.237 4.104 4.340 0.001 0.000 0.210 54 L C 2.522 179.608 176.870 0.360 0.000 1.073 54 L CA 1.513 56.590 54.840 0.395 0.000 0.748 54 L CB -0.715 41.547 42.059 0.338 0.000 0.891 54 L HN 0.039 nan 8.230 nan 0.000 0.431 55 R N -0.018 120.648 120.500 0.276 0.000 2.073 55 R HA -0.118 4.223 4.340 0.001 0.000 0.234 55 R C 2.459 178.842 176.300 0.139 0.000 1.134 55 R CA 1.389 57.645 56.100 0.261 0.000 0.952 55 R CB -0.521 29.882 30.300 0.171 0.000 0.850 55 R HN 0.370 nan 8.270 nan 0.000 0.433 56 A N 0.387 123.278 122.820 0.118 0.000 1.930 56 A HA -0.149 4.171 4.320 0.001 0.000 0.217 56 A C 1.940 179.613 177.584 0.148 0.000 1.175 56 A CA 0.867 52.953 52.037 0.082 0.000 0.627 56 A CB -0.523 18.491 19.000 0.022 0.000 0.815 56 A HN 0.340 nan 8.150 nan 0.000 0.443 57 F N 0.323 120.365 119.950 0.153 0.000 2.146 57 F HA -0.100 4.427 4.527 0.001 0.000 0.298 57 F C 2.368 178.298 175.800 0.216 0.000 1.096 57 F CA 1.934 60.075 58.000 0.234 0.000 1.275 57 F CB -0.136 39.008 39.000 0.241 0.000 1.008 57 F HN 0.173 nan 8.300 nan 0.000 0.480 58 R N 0.360 120.984 120.500 0.206 0.000 2.092 58 R HA -0.183 4.158 4.340 0.001 0.000 0.231 58 R C 2.386 178.627 176.300 -0.098 0.000 1.119 58 R CA 1.729 57.809 56.100 -0.034 0.000 0.970 58 R CB -0.458 29.410 30.300 -0.720 0.000 0.864 58 R HN 0.438 nan 8.270 nan 0.000 0.440 59 E N -0.374 119.771 120.200 -0.092 0.000 2.077 59 E HA -0.191 4.160 4.350 0.001 0.000 0.193 59 E C 1.658 178.180 176.600 -0.129 0.000 0.989 59 E CA 1.237 57.582 56.400 -0.093 0.000 0.800 59 E CB -0.042 29.625 29.700 -0.054 0.000 0.746 59 E HN 0.466 nan 8.360 nan 0.000 0.452 60 A N -0.095 122.614 122.820 -0.185 0.000 1.898 60 A HA -0.116 4.205 4.320 0.001 0.000 0.214 60 A C 1.414 178.688 177.584 -0.517 0.000 1.183 60 A CA 1.530 53.348 52.037 -0.365 0.000 0.622 60 A CB -0.434 18.292 19.000 -0.458 0.000 0.824 60 A HN 0.335 nan 8.150 nan 0.000 0.444 61 H N -2.050 116.822 119.070 -0.330 0.000 2.827 61 H HA 0.443 5.000 4.556 0.001 0.000 0.269 61 H C 1.019 176.383 175.328 0.059 0.000 1.031 61 H CA 0.426 56.315 56.048 -0.265 0.000 1.202 61 H CB 0.699 30.000 29.762 -0.768 0.000 1.511 61 H HN 0.787 nan 8.280 nan 0.000 0.517 62 G N 0.070 108.961 108.800 0.151 0.000 2.566 62 G HA2 -0.251 3.709 3.960 0.001 0.000 0.599 62 G HA3 -0.251 3.709 3.960 0.001 0.000 0.599 62 G C 0.807 175.901 174.900 0.324 0.000 1.292 62 G CA -0.107 45.097 45.100 0.173 0.000 0.922 62 G HN 0.347 nan 8.290 nan 0.000 0.514 63 T N -2.493 112.167 114.554 0.177 0.000 3.069 63 T HA 0.570 4.920 4.350 0.001 0.000 0.252 63 T C 1.498 176.320 174.700 0.203 0.000 1.053 63 T CA 1.396 63.614 62.100 0.197 0.000 0.964 63 T CB 0.486 69.353 68.868 -0.003 0.000 1.005 63 T HN 2.108 nan 8.240 nan 0.000 0.532 64 A N 1.155 123.947 122.820 -0.047 0.000 3.033 64 A HA 0.591 4.912 4.320 0.001 0.000 0.250 64 A C -0.852 176.317 177.584 -0.693 0.000 1.633 64 A CA -0.585 51.262 52.037 -0.317 0.000 1.290 64 A CB -1.037 17.748 19.000 -0.359 0.000 1.048 64 A HN 0.638 nan 8.150 nan 0.000 0.648 65 Y N -1.734 118.573 120.300 0.011 0.000 2.597 65 Y HA 0.503 5.053 4.550 0.001 0.000 0.340 65 Y C 0.157 175.909 175.900 -0.245 0.000 1.097 65 Y CA -1.132 56.826 58.100 -0.237 0.000 1.037 65 Y CB 1.367 39.466 38.460 -0.602 0.000 1.305 65 Y HN 0.334 nan 8.280 nan 0.000 0.463 66 R N 1.996 122.467 120.500 -0.048 0.000 2.221 66 R HA 0.485 4.825 4.340 0.001 0.000 0.327 66 R C -1.886 174.405 176.300 -0.014 0.000 1.033 66 R CA -0.263 55.874 56.100 0.062 0.000 0.887 66 R CB 0.216 30.575 30.300 0.097 0.000 1.057 66 R HN 0.586 nan 8.270 nan 0.000 0.455 67 F N 4.048 124.194 119.950 0.327 0.000 2.415 67 F HA 0.386 4.914 4.527 0.001 0.000 0.348 67 F C -0.167 175.791 175.800 0.263 0.000 1.119 67 F CA -0.647 57.552 58.000 0.333 0.000 1.069 67 F CB 1.930 41.249 39.000 0.532 0.000 1.124 67 F HN 0.088 nan 8.300 nan 0.000 0.472 68 V N 2.235 122.364 119.914 0.358 0.000 2.638 68 V HA 0.833 4.954 4.120 0.001 0.000 0.306 68 V C -0.058 176.092 176.094 0.093 0.000 1.052 68 V CA -0.828 61.619 62.300 0.245 0.000 0.885 68 V CB 1.817 33.862 31.823 0.369 0.000 0.999 68 V HN 0.897 nan 8.190 nan 0.000 0.424 69 G N 2.327 111.135 108.800 0.014 0.000 2.524 69 G HA2 0.697 4.657 3.960 0.001 0.000 0.310 69 G HA3 0.697 4.657 3.960 0.001 0.000 0.310 69 G C -1.589 173.202 174.900 -0.181 0.000 1.279 69 G CA -0.639 44.410 45.100 -0.085 0.000 0.974 69 G HN 0.564 nan 8.290 nan 0.000 0.484 70 V N 1.087 120.849 119.914 -0.254 0.000 2.531 70 V HA 0.666 4.786 4.120 0.001 0.000 0.301 70 V C -0.660 175.324 176.094 -0.184 0.000 1.034 70 V CA -0.652 61.450 62.300 -0.329 0.000 0.865 70 V CB 1.580 33.073 31.823 -0.550 0.000 0.995 70 V HN 0.900 nan 8.190 nan 0.000 0.424 71 E N 3.166 123.285 120.200 -0.134 0.000 2.331 71 E HA 0.478 4.829 4.350 0.001 0.000 0.275 71 E C -0.253 176.332 176.600 -0.025 0.000 0.895 71 E CA -0.533 55.831 56.400 -0.060 0.000 0.753 71 E CB 2.142 31.806 29.700 -0.060 0.000 1.216 71 E HN 0.499 nan 8.360 nan 0.000 0.434 72 I N 1.514 122.095 120.570 0.018 0.000 3.035 72 I HA 0.149 4.320 4.170 0.001 0.000 0.271 72 I C -0.072 176.062 176.117 0.028 0.000 1.190 72 I CA 0.329 61.654 61.300 0.043 0.000 1.472 72 I CB 0.539 38.593 38.000 0.091 0.000 1.116 72 I HN 0.468 nan 8.210 nan 0.000 0.443 73 D N 0.938 121.346 120.400 0.014 0.000 2.359 73 D HA 0.174 4.814 4.640 0.001 0.000 0.230 73 D C -1.792 174.510 176.300 0.002 0.000 1.118 73 D CA -2.514 51.492 54.000 0.009 0.000 0.844 73 D CB 1.639 42.441 40.800 0.003 0.000 1.059 73 D HN -0.014 nan 8.370 nan 0.000 0.493 74 P HA -0.119 nan 4.420 nan 0.000 0.219 74 P C 0.764 178.063 177.300 -0.002 0.000 1.146 74 P CA 1.203 64.304 63.100 0.001 0.000 0.808 74 P CB 0.323 32.027 31.700 0.007 0.000 0.779 75 K N -0.897 119.503 120.400 -0.001 0.000 2.288 75 K HA 0.075 4.395 4.320 0.001 0.000 0.201 75 K C 1.977 178.574 176.600 -0.006 0.000 1.048 75 K CA 1.124 57.409 56.287 -0.004 0.000 0.956 75 K CB -0.247 32.251 32.500 -0.004 0.000 0.746 75 K HN 0.074 nan 8.250 nan 0.000 0.461 76 A N 0.862 123.680 122.820 -0.005 0.000 2.044 76 A HA 0.061 4.382 4.320 0.001 0.000 0.213 76 A C 0.754 178.340 177.584 0.003 0.000 1.169 76 A CA -0.107 51.931 52.037 0.000 0.000 0.724 76 A CB 0.042 19.040 19.000 -0.004 0.000 0.840 76 A HN 0.193 nan 8.150 nan 0.000 0.463 77 L N 1.362 122.579 121.223 -0.011 0.000 2.456 77 L HA 0.375 4.715 4.340 0.001 0.000 0.277 77 L C -1.083 175.774 176.870 -0.021 0.000 1.124 77 L CA 0.373 55.200 54.840 -0.022 0.000 0.880 77 L CB 0.053 42.092 42.059 -0.033 0.000 1.192 77 L HN 0.146 nan 8.230 nan 0.000 0.463 78 D N 4.734 125.124 120.400 -0.018 0.000 2.714 78 D HA 0.249 4.890 4.640 0.001 0.000 0.264 78 D C -0.835 175.432 176.300 -0.055 0.000 1.231 78 D CA -0.216 53.768 54.000 -0.025 0.000 0.802 78 D CB 0.213 41.011 40.800 -0.004 0.000 1.319 78 D HN 0.424 nan 8.370 nan 0.000 0.528 79 L N 1.351 122.507 121.223 -0.111 0.000 2.421 79 L HA 0.542 4.883 4.340 0.001 0.000 0.263 79 L C -1.621 175.064 176.870 -0.309 0.000 1.122 79 L CA -1.717 52.995 54.840 -0.213 0.000 0.804 79 L CB 0.514 42.441 42.059 -0.218 0.000 1.150 79 L HN 0.117 nan 8.230 nan 0.000 0.457 80 P HA 0.104 nan 4.420 nan 0.000 0.269 80 P C -2.113 174.791 177.300 -0.660 0.000 1.215 80 P CA -1.030 61.639 63.100 -0.718 0.000 0.780 80 P CB -0.005 30.823 31.700 -1.453 0.000 0.898 81 P HA -0.168 nan 4.420 nan 0.000 0.218 81 P C 0.938 178.205 177.300 -0.055 0.000 1.146 81 P CA 1.455 64.466 63.100 -0.149 0.000 0.820 81 P CB -0.386 31.299 31.700 -0.024 0.000 0.778 82 W N -1.678 119.649 121.300 0.044 0.000 3.180 82 W HA 0.529 5.189 4.660 0.001 0.000 0.254 82 W C -0.023 176.574 176.519 0.130 0.000 1.318 82 W CA -0.220 57.172 57.345 0.078 0.000 1.608 82 W CB -0.639 28.854 29.460 0.055 0.000 1.124 82 W HN -0.122 nan 8.180 nan 0.000 0.694 83 A N 1.604 124.412 122.820 -0.019 0.000 2.340 83 A HA 0.368 4.689 4.320 0.001 0.000 0.331 83 A C -0.531 177.093 177.584 0.067 0.000 1.140 83 A CA -0.666 51.429 52.037 0.097 0.000 0.801 83 A CB 1.255 20.160 19.000 -0.158 0.000 1.234 83 A HN 0.209 nan 8.150 nan 0.000 0.469 84 E N 1.690 121.981 120.200 0.151 0.000 2.152 84 E HA 0.405 4.755 4.350 0.001 0.000 0.285 84 E C 0.132 176.767 176.600 0.059 0.000 1.043 84 E CA -0.250 56.219 56.400 0.114 0.000 0.839 84 E CB 0.719 30.520 29.700 0.170 0.000 1.069 84 E HN 0.731 nan 8.360 nan 0.000 0.399 85 G N 4.938 113.745 108.800 0.012 0.000 2.322 85 G HA2 0.491 4.451 3.960 0.001 0.000 0.309 85 G HA3 0.491 4.451 3.960 0.001 0.000 0.309 85 G C -0.510 174.374 174.900 -0.027 0.000 1.121 85 G CA -0.523 44.561 45.100 -0.028 0.000 0.886 85 G HN 0.533 nan 8.290 nan 0.000 0.447 86 I N 2.048 122.567 120.570 -0.085 0.000 2.406 86 I HA 0.240 4.411 4.170 0.001 0.000 0.290 86 I C -0.109 175.926 176.117 -0.137 0.000 0.999 86 I CA -0.564 60.669 61.300 -0.112 0.000 1.124 86 I CB 2.280 40.147 38.000 -0.221 0.000 1.289 86 I HN 0.171 nan 8.210 nan 0.000 0.441 87 L N 6.809 127.992 121.223 -0.067 0.000 2.334 87 L HA 0.661 5.001 4.340 0.001 0.000 0.286 87 L C 0.097 176.948 176.870 -0.032 0.000 1.108 87 L CA 0.014 54.828 54.840 -0.044 0.000 0.875 87 L CB 0.256 42.311 42.059 -0.007 0.000 1.246 87 L HN 0.781 nan 8.230 nan 0.000 0.439 88 A N 2.426 125.211 122.820 -0.058 0.000 2.604 88 A HA 0.366 4.686 4.320 0.001 0.000 0.295 88 A C -1.365 176.249 177.584 0.051 0.000 1.067 88 A CA -0.736 51.299 52.037 -0.003 0.000 0.683 88 A CB 1.522 20.482 19.000 -0.068 0.000 1.281 88 A HN 0.471 nan 8.150 nan 0.000 0.407 89 D N 1.120 121.598 120.400 0.129 0.000 2.346 89 D HA 0.126 4.766 4.640 0.001 0.000 0.260 89 D C 0.834 177.260 176.300 0.209 0.000 1.252 89 D CA -0.197 53.917 54.000 0.190 0.000 0.895 89 D CB 0.119 41.059 40.800 0.232 0.000 1.097 89 D HN 0.401 nan 8.370 nan 0.000 0.489 90 F N 4.509 124.470 119.950 0.019 0.000 2.120 90 F HA -0.210 4.317 4.527 0.001 0.000 0.300 90 F C 1.684 177.483 175.800 -0.001 0.000 1.095 90 F CA 1.418 59.390 58.000 -0.046 0.000 1.249 90 F CB -0.140 38.696 39.000 -0.274 0.000 0.995 90 F HN 0.476 nan 8.300 nan 0.000 0.480 91 L N -0.336 120.787 121.223 -0.168 0.000 2.265 91 L HA -0.180 4.160 4.340 0.001 0.000 0.215 91 L C 1.761 178.672 176.870 0.068 0.000 1.117 91 L CA 0.919 55.695 54.840 -0.107 0.000 0.782 91 L CB -0.538 41.446 42.059 -0.124 0.000 0.914 91 L HN 0.234 nan 8.230 nan 0.000 0.441 92 L N -2.583 118.714 121.223 0.123 0.000 2.766 92 L HA 0.128 4.468 4.340 0.001 0.000 0.242 92 L C 0.275 177.216 176.870 0.118 0.000 1.136 92 L CA -0.603 54.300 54.840 0.105 0.000 0.933 92 L CB 0.060 42.212 42.059 0.155 0.000 1.241 92 L HN 0.221 nan 8.230 nan 0.000 0.522 93 W N 2.579 123.825 121.300 -0.088 0.000 2.218 93 W HA 0.217 4.877 4.660 0.001 0.000 0.326 93 W C 0.088 176.570 176.519 -0.061 0.000 1.276 93 W CA -0.031 57.285 57.345 -0.050 0.000 1.210 93 W CB 0.749 30.199 29.460 -0.016 0.000 1.143 93 W HN -0.116 nan 8.180 nan 0.000 0.563 94 E N 7.374 127.256 120.200 -0.530 0.000 2.437 94 E HA 0.126 4.476 4.350 0.001 0.000 0.238 94 E C -1.354 174.788 176.600 -0.764 0.000 0.969 94 E CA -1.543 54.505 56.400 -0.587 0.000 0.759 94 E CB 1.103 30.643 29.700 -0.266 0.000 1.283 94 E HN 0.412 nan 8.360 nan 0.000 0.416 95 P HA -0.084 nan 4.420 nan 0.000 0.217 95 P C 0.928 178.066 177.300 -0.269 0.000 1.150 95 P CA 1.569 64.263 63.100 -0.677 0.000 0.832 95 P CB 0.650 31.980 31.700 -0.617 0.000 0.787 96 G N -0.039 108.612 108.800 -0.248 0.000 2.399 96 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 96 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 96 G C 0.043 174.857 174.900 -0.143 0.000 1.096 96 G CA 0.202 45.211 45.100 -0.152 0.000 0.650 96 G HN 0.612 nan 8.290 nan 0.000 0.512 97 E N 0.741 120.831 120.200 -0.184 0.000 2.210 97 E HA 0.697 5.048 4.350 0.001 0.000 0.266 97 E C 0.578 176.987 176.600 -0.319 0.000 0.883 97 E CA -0.171 56.100 56.400 -0.214 0.000 0.761 97 E CB 1.512 31.086 29.700 -0.211 0.000 1.156 97 E HN 0.825 nan 8.360 nan 0.000 0.412 98 A N 3.215 125.907 122.820 -0.213 0.000 2.325 98 A HA 0.418 4.739 4.320 0.001 0.000 0.260 98 A C -0.803 176.598 177.584 -0.305 0.000 1.133 98 A CA 0.087 52.049 52.037 -0.126 0.000 0.801 98 A CB 0.191 19.184 19.000 -0.012 0.000 1.092 98 A HN 0.563 nan 8.150 nan 0.000 0.504 99 F N -1.444 118.525 119.950 0.031 0.000 2.561 99 F HA 0.335 4.862 4.527 0.001 0.000 0.321 99 F C 0.956 176.761 175.800 0.008 0.000 1.065 99 F CA -0.496 57.524 58.000 0.033 0.000 0.934 99 F CB 2.006 41.046 39.000 0.067 0.000 1.215 99 F HN 0.636 nan 8.300 nan 0.000 0.471 100 D N 0.767 121.266 120.400 0.164 0.000 2.216 100 D HA 0.046 4.686 4.640 0.001 0.000 0.208 100 D C -0.173 176.149 176.300 0.037 0.000 0.960 100 D CA 1.225 55.269 54.000 0.072 0.000 0.861 100 D CB 0.608 41.433 40.800 0.041 0.000 0.985 100 D HN 0.153 nan 8.370 nan 0.000 0.493 101 L N 0.776 122.011 121.223 0.019 0.000 2.470 101 L HA 0.425 4.766 4.340 0.001 0.000 0.268 101 L C -1.669 175.131 176.870 -0.115 0.000 0.964 101 L CA -0.507 54.270 54.840 -0.104 0.000 0.839 101 L CB 2.105 43.990 42.059 -0.290 0.000 1.276 101 L HN -0.218 nan 8.230 nan 0.000 0.403 102 I N 6.468 126.956 120.570 -0.137 0.000 2.436 102 I HA 0.583 4.753 4.170 0.001 0.000 0.289 102 I C -0.822 175.178 176.117 -0.195 0.000 1.010 102 I CA -0.678 60.519 61.300 -0.170 0.000 1.098 102 I CB 1.753 39.666 38.000 -0.145 0.000 1.266 102 I HN 0.656 nan 8.210 nan 0.000 0.434 103 L N 4.050 125.190 121.223 -0.137 0.000 2.434 103 L HA 1.128 5.468 4.340 0.001 0.000 0.260 103 L C -0.439 176.239 176.870 -0.320 0.000 0.983 103 L CA -0.266 54.475 54.840 -0.165 0.000 0.820 103 L CB 2.362 44.312 42.059 -0.182 0.000 1.361 103 L HN 0.734 nan 8.230 nan 0.000 0.410 104 G N 1.334 109.748 108.800 -0.644 0.000 2.345 104 G HA2 0.085 4.045 3.960 0.001 0.000 0.285 104 G HA3 0.085 4.045 3.960 0.001 0.000 0.285 104 G C -2.214 172.192 174.900 -0.825 0.000 1.297 104 G CA -0.622 43.788 45.100 -1.150 0.000 0.875 104 G HN 0.817 nan 8.290 nan 0.000 0.506 105 N N 1.483 119.839 118.700 -0.574 0.000 2.626 105 N HA 0.568 5.308 4.740 0.001 0.000 0.249 105 N C -2.635 172.521 175.510 -0.590 0.000 1.021 105 N CA -1.238 51.593 53.050 -0.365 0.000 0.886 105 N CB 1.867 40.339 38.487 -0.025 0.000 1.149 105 N HN 0.236 nan 8.380 nan 0.000 0.517 106 P HA 0.265 nan 4.420 nan 0.000 0.272 106 P C -2.607 174.178 177.300 -0.858 0.000 1.240 106 P CA -0.885 61.611 63.100 -1.007 0.000 0.791 106 P CB -0.106 31.059 31.700 -0.891 0.000 0.978 107 P HA 0.044 nan 4.420 nan 0.000 0.269 107 P C -1.184 175.923 177.300 -0.322 0.000 1.209 107 P CA 0.448 63.157 63.100 -0.651 0.000 0.776 107 P CB 0.149 31.558 31.700 -0.484 0.000 0.876 108 Y N 0.544 120.697 120.300 -0.246 0.000 2.377 108 Y HA 0.734 5.284 4.550 0.001 0.000 0.339 108 Y C 1.112 176.974 175.900 -0.064 0.000 1.011 108 Y CA -1.129 56.906 58.100 -0.108 0.000 1.093 108 Y CB 1.666 40.035 38.460 -0.152 0.000 1.201 108 Y HN 0.767 nan 8.280 nan 0.000 0.455 109 G N 1.835 110.733 108.800 0.163 0.000 2.343 109 G HA2 0.260 4.220 3.960 0.001 0.000 0.298 109 G HA3 0.260 4.220 3.960 0.001 0.000 0.298 109 G C -1.698 173.237 174.900 0.057 0.000 1.644 109 G CA -1.176 43.983 45.100 0.099 0.000 0.958 109 G HN 0.541 nan 8.290 nan 0.000 0.702 110 I N 0.962 121.570 120.570 0.064 0.000 2.496 110 I HA 0.230 4.400 4.170 0.001 0.000 0.285 110 I C 0.759 176.900 176.117 0.041 0.000 1.080 110 I CA -0.645 60.646 61.300 -0.014 0.000 1.404 110 I CB 1.462 39.390 38.000 -0.120 0.000 1.403 110 I HN 0.222 nan 8.210 nan 0.000 0.539 111 V N 6.463 126.430 119.914 0.087 0.000 2.439 111 V HA 0.607 4.728 4.120 0.001 0.000 0.271 111 V C 0.697 176.858 176.094 0.111 0.000 1.040 111 V CA 0.168 62.574 62.300 0.177 0.000 1.002 111 V CB 0.078 32.114 31.823 0.355 0.000 1.000 111 V HN 1.029 nan 8.190 nan 0.000 0.477 112 G N 3.519 112.437 108.800 0.197 0.000 2.488 112 G HA2 0.390 4.350 3.960 0.001 0.000 0.301 112 G HA3 0.390 4.350 3.960 0.001 0.000 0.301 112 G C -1.043 174.098 174.900 0.402 0.000 1.339 112 G CA -0.785 44.473 45.100 0.263 0.000 0.803 112 G HN 0.561 nan 8.290 nan 0.000 0.482 113 E N 0.017 120.438 120.200 0.367 0.000 2.529 113 E HA 0.302 4.652 4.350 0.001 0.000 0.259 113 E C 1.610 178.319 176.600 0.182 0.000 0.966 113 E CA 0.487 57.020 56.400 0.221 0.000 0.937 113 E CB 0.964 30.762 29.700 0.164 0.000 0.923 113 E HN 0.665 nan 8.360 nan 0.000 0.468 114 A N 3.451 126.262 122.820 -0.015 0.000 2.076 114 A HA -0.209 4.112 4.320 0.001 0.000 0.220 114 A C 2.098 179.657 177.584 -0.040 0.000 1.160 114 A CA 1.799 53.726 52.037 -0.184 0.000 0.653 114 A CB -0.565 18.028 19.000 -0.679 0.000 0.801 114 A HN 0.714 nan 8.150 nan 0.000 0.455 115 S N -1.177 114.500 115.700 -0.039 0.000 2.447 115 S HA -0.088 4.382 4.470 0.001 0.000 0.233 115 S C 1.616 176.167 174.600 -0.080 0.000 1.006 115 S CA 1.658 59.833 58.200 -0.043 0.000 0.957 115 S CB -0.040 63.141 63.200 -0.031 0.000 0.773 115 S HN 0.490 nan 8.310 nan 0.000 0.507 116 K N -0.976 119.338 120.400 -0.144 0.000 2.474 116 K HA 0.386 4.706 4.320 0.001 0.000 0.202 116 K C -0.959 175.325 176.600 -0.528 0.000 1.248 116 K CA 0.030 56.069 56.287 -0.414 0.000 0.946 116 K CB 0.562 32.658 32.500 -0.673 0.000 1.102 116 K HN 0.407 nan 8.250 nan 0.000 0.541 117 Y N -0.010 120.372 120.300 0.137 0.000 2.499 117 Y HA 0.336 4.887 4.550 0.001 0.000 0.347 117 Y C -1.977 174.039 175.900 0.194 0.000 0.987 117 Y CA -2.550 55.636 58.100 0.143 0.000 1.044 117 Y CB 1.916 40.458 38.460 0.136 0.000 1.245 117 Y HN -0.130 nan 8.280 nan 0.000 0.461 118 P HA 0.004 nan 4.420 nan 0.000 0.227 118 P C -0.021 177.023 177.300 -0.427 0.000 1.161 118 P CA 1.345 64.456 63.100 0.018 0.000 0.788 118 P CB 1.091 32.805 31.700 0.024 0.000 0.822 119 I N 1.234 121.646 120.570 -0.263 0.000 2.362 119 I HA 0.233 4.403 4.170 0.001 0.000 0.289 119 I C -0.110 175.898 176.117 -0.181 0.000 0.994 119 I CA -0.979 60.146 61.300 -0.292 0.000 1.158 119 I CB 0.503 38.495 38.000 -0.013 0.000 1.315 119 I HN -0.001 nan 8.210 nan 0.000 0.451 120 H N 5.184 124.298 119.070 0.072 0.000 2.685 120 H HA 0.611 5.167 4.556 0.001 0.000 0.307 120 H C -0.148 175.157 175.328 -0.037 0.000 1.017 120 H CA -0.833 55.232 56.048 0.028 0.000 1.237 120 H CB 1.905 31.667 29.762 -0.000 0.000 1.409 120 H HN 0.454 nan 8.280 nan 0.000 0.488 121 V N -0.155 119.796 119.914 0.062 0.000 3.001 121 V HA 0.548 4.668 4.120 0.001 0.000 0.314 121 V C -0.385 175.674 176.094 -0.059 0.000 1.099 121 V CA -1.217 61.046 62.300 -0.061 0.000 0.989 121 V CB 1.349 33.165 31.823 -0.011 0.000 1.040 121 V HN 0.372 nan 8.190 nan 0.000 0.434 122 F N 1.589 121.545 119.950 0.010 0.000 2.595 122 F HA 0.299 4.826 4.527 0.001 0.000 0.359 122 F C 1.827 177.600 175.800 -0.043 0.000 1.147 122 F CA 0.481 58.474 58.000 -0.012 0.000 1.341 122 F CB 0.383 39.367 39.000 -0.027 0.000 1.104 122 F HN 0.840 nan 8.300 nan 0.000 0.603 123 K N 2.154 122.664 120.400 0.184 0.000 2.113 123 K HA -0.219 4.101 4.320 0.001 0.000 0.208 123 K C 1.985 178.580 176.600 -0.008 0.000 1.047 123 K CA 1.425 57.747 56.287 0.059 0.000 0.928 123 K CB -0.165 32.361 32.500 0.044 0.000 0.716 123 K HN 0.747 nan 8.250 nan 0.000 0.446 124 A N 0.533 123.356 122.820 0.006 0.000 1.940 124 A HA -0.121 4.200 4.320 0.001 0.000 0.219 124 A C 2.192 179.711 177.584 -0.107 0.000 1.176 124 A CA 1.711 53.715 52.037 -0.054 0.000 0.631 124 A CB -0.530 18.434 19.000 -0.061 0.000 0.814 124 A HN 0.187 nan 8.150 nan 0.000 0.446 125 V N -0.008 119.848 119.914 -0.097 0.000 2.358 125 V HA -0.237 3.884 4.120 0.001 0.000 0.246 125 V C 2.485 178.249 176.094 -0.550 0.000 1.047 125 V CA 2.246 64.370 62.300 -0.294 0.000 1.035 125 V CB -0.630 31.043 31.823 -0.251 0.000 0.658 125 V HN 0.638 nan 8.190 nan 0.000 0.452 126 K N -0.039 120.151 120.400 -0.350 0.000 2.063 126 K HA -0.244 4.077 4.320 0.001 0.000 0.208 126 K C 1.898 178.281 176.600 -0.362 0.000 1.048 126 K CA 1.929 58.020 56.287 -0.326 0.000 0.928 126 K CB -0.247 32.189 32.500 -0.107 0.000 0.713 126 K HN 0.429 nan 8.250 nan 0.000 0.442 127 D N 0.913 121.156 120.400 -0.261 0.000 2.123 127 D HA -0.184 4.456 4.640 0.001 0.000 0.196 127 D C 1.943 178.091 176.300 -0.254 0.000 0.992 127 D CA 1.017 54.876 54.000 -0.235 0.000 0.833 127 D CB -0.165 40.540 40.800 -0.158 0.000 0.954 127 D HN 0.232 nan 8.370 nan 0.000 0.455 128 L N -0.126 120.943 121.223 -0.256 0.000 2.046 128 L HA -0.213 4.127 4.340 0.001 0.000 0.208 128 L C 2.468 179.232 176.870 -0.176 0.000 1.077 128 L CA 0.896 55.608 54.840 -0.213 0.000 0.747 128 L CB -0.419 41.524 42.059 -0.192 0.000 0.896 128 L HN 0.073 nan 8.230 nan 0.000 0.432 129 Y N 0.534 120.665 120.300 -0.282 0.000 2.145 129 Y HA -0.220 4.331 4.550 0.001 0.000 0.286 129 Y C 2.566 178.184 175.900 -0.469 0.000 1.145 129 Y CA 0.775 58.703 58.100 -0.286 0.000 1.148 129 Y CB -0.782 37.542 38.460 -0.227 0.000 0.981 129 Y HN 0.123 nan 8.280 nan 0.000 0.507 130 K N 0.245 120.325 120.400 -0.534 0.000 2.097 130 K HA -0.204 4.117 4.320 0.001 0.000 0.206 130 K C 2.186 178.614 176.600 -0.287 0.000 1.049 130 K CA 1.464 57.423 56.287 -0.548 0.000 0.933 130 K CB -0.147 32.011 32.500 -0.570 0.000 0.717 130 K HN 0.194 nan 8.250 nan 0.000 0.442 131 K N 0.832 121.071 120.400 -0.268 0.000 2.097 131 K HA -0.113 4.208 4.320 0.001 0.000 0.206 131 K C 2.003 178.441 176.600 -0.271 0.000 1.049 131 K CA 1.265 57.419 56.287 -0.221 0.000 0.933 131 K CB -0.037 32.347 32.500 -0.195 0.000 0.717 131 K HN 0.112 nan 8.250 nan 0.000 0.442 132 A N 0.267 122.827 122.820 -0.434 0.000 1.970 132 A HA 0.066 4.386 4.320 0.001 0.000 0.216 132 A C 0.138 177.306 177.584 -0.693 0.000 1.170 132 A CA 0.543 52.163 52.037 -0.694 0.000 0.645 132 A CB -0.021 18.288 19.000 -1.152 0.000 0.816 132 A HN 0.219 nan 8.150 nan 0.000 0.447 133 F N 0.152 120.069 119.950 -0.055 0.000 2.382 133 F HA 0.312 4.840 4.527 0.001 0.000 0.361 133 F C 1.475 177.221 175.800 -0.091 0.000 1.109 133 F CA -0.803 57.167 58.000 -0.051 0.000 1.031 133 F CB 1.265 40.332 39.000 0.112 0.000 1.234 133 F HN 0.123 nan 8.300 nan 0.000 0.445 134 S N -0.365 115.334 115.700 -0.001 0.000 2.474 134 S HA -0.150 4.321 4.470 0.001 0.000 0.235 134 S C 1.670 176.209 174.600 -0.102 0.000 0.997 134 S CA 1.285 59.450 58.200 -0.059 0.000 0.949 134 S CB -0.734 62.427 63.200 -0.064 0.000 0.766 134 S HN 0.686 nan 8.310 nan 0.000 0.517 135 T N -3.612 110.838 114.554 -0.172 0.000 3.081 135 T HA 0.093 4.444 4.350 0.001 0.000 0.250 135 T C 0.437 174.792 174.700 -0.574 0.000 1.100 135 T CA -0.571 61.376 62.100 -0.255 0.000 1.038 135 T CB -0.500 68.237 68.868 -0.220 0.000 0.962 135 T HN 0.515 nan 8.240 nan 0.000 0.516 136 W N 3.180 124.029 121.300 -0.752 0.000 2.322 136 W HA 0.407 5.067 4.660 0.001 0.000 0.328 136 W C -0.151 175.961 176.519 -0.679 0.000 1.395 136 W CA 0.017 56.708 57.345 -1.091 0.000 1.267 136 W CB 0.113 29.324 29.460 -0.415 0.000 1.259 136 W HN 0.215 nan 8.180 nan 0.000 0.560 137 K N 4.782 124.773 120.400 -0.682 0.000 2.543 137 K HA 0.455 4.776 4.320 0.001 0.000 0.255 137 K C 0.356 176.845 176.600 -0.185 0.000 0.934 137 K CA 0.199 56.340 56.287 -0.244 0.000 0.810 137 K CB 1.000 33.369 32.500 -0.219 0.000 1.315 137 K HN 0.727 nan 8.250 nan 0.000 0.433 138 G N 3.215 111.983 108.800 -0.054 0.000 2.552 138 G HA2 -0.346 3.614 3.960 0.001 0.000 0.265 138 G HA3 -0.346 3.614 3.960 0.001 0.000 0.265 138 G C 0.405 175.295 174.900 -0.015 0.000 1.234 138 G CA 0.369 45.439 45.100 -0.050 0.000 0.944 138 G HN 0.695 nan 8.290 nan 0.000 0.568 139 K N -1.127 119.225 120.400 -0.080 0.000 2.155 139 K HA 0.150 4.471 4.320 0.001 0.000 0.203 139 K C 1.273 177.771 176.600 -0.171 0.000 1.052 139 K CA 1.061 57.290 56.287 -0.096 0.000 0.948 139 K CB -0.029 32.352 32.500 -0.199 0.000 0.728 139 K HN 0.669 nan 8.250 nan 0.000 0.448 140 Y N 0.141 120.107 120.300 -0.558 0.000 2.924 140 Y HA -0.390 4.160 4.550 0.001 0.000 0.464 140 Y C -0.334 175.159 175.900 -0.678 0.000 1.215 140 Y CA 0.583 58.134 58.100 -0.915 0.000 2.434 140 Y CB -0.517 36.974 38.460 -1.615 0.000 1.252 140 Y HN 0.287 nan 8.280 nan 0.000 0.636 141 N N 0.161 118.208 118.700 -1.087 0.000 2.555 141 N HA 0.241 4.982 4.740 0.001 0.000 0.265 141 N C 0.309 175.476 175.510 -0.572 0.000 1.135 141 N CA 0.059 52.727 53.050 -0.636 0.000 0.925 141 N CB 1.134 39.307 38.487 -0.523 0.000 1.662 141 N HN 0.701 nan 8.380 nan 0.000 0.489 142 L N 1.950 123.061 121.223 -0.187 0.000 2.051 142 L HA -0.278 4.063 4.340 0.001 0.000 0.214 142 L C 2.258 179.118 176.870 -0.017 0.000 1.076 142 L CA 1.980 56.807 54.840 -0.022 0.000 0.758 142 L CB -0.622 41.470 42.059 0.056 0.000 0.890 142 L HN 0.705 nan 8.230 nan 0.000 0.433 143 Y N -0.709 119.514 120.300 -0.128 0.000 2.293 143 Y HA 0.006 4.557 4.550 0.001 0.000 0.291 143 Y C 2.224 178.037 175.900 -0.145 0.000 1.137 143 Y CA 0.872 58.894 58.100 -0.129 0.000 1.202 143 Y CB -1.270 37.112 38.460 -0.131 0.000 0.990 143 Y HN -0.033 nan 8.280 nan 0.000 0.537 144 G N 0.636 108.993 108.800 -0.739 0.000 2.408 144 G HA2 -0.158 3.802 3.960 0.001 0.000 0.217 144 G HA3 -0.158 3.802 3.960 0.001 0.000 0.217 144 G C 1.821 176.581 174.900 -0.232 0.000 1.150 144 G CA 0.978 45.734 45.100 -0.574 0.000 0.776 144 G HN 0.655 nan 8.290 nan 0.000 0.542 145 A N 0.300 122.961 122.820 -0.265 0.000 1.933 145 A HA 0.143 4.463 4.320 0.001 0.000 0.218 145 A C 2.139 179.438 177.584 -0.474 0.000 1.175 145 A CA 1.168 52.885 52.037 -0.533 0.000 0.628 145 A CB -0.513 18.197 19.000 -0.484 0.000 0.814 145 A HN 0.268 nan 8.150 nan 0.000 0.444 146 F N -0.053 119.779 119.950 -0.196 0.000 2.134 146 F HA -0.108 4.420 4.527 0.001 0.000 0.299 146 F C 2.136 178.110 175.800 0.289 0.000 1.097 146 F CA 1.374 59.452 58.000 0.130 0.000 1.264 146 F CB -0.383 38.638 39.000 0.035 0.000 1.001 146 F HN 0.106 nan 8.300 nan 0.000 0.479 147 L N -0.323 121.094 121.223 0.322 0.000 1.994 147 L HA -0.246 4.094 4.340 0.001 0.000 0.208 147 L C 2.544 179.440 176.870 0.044 0.000 1.071 147 L CA 1.886 56.842 54.840 0.192 0.000 0.745 147 L CB -0.653 41.408 42.059 0.003 0.000 0.892 147 L HN 0.172 nan 8.230 nan 0.000 0.431 148 E N 0.349 120.505 120.200 -0.073 0.000 2.051 148 E HA -0.307 4.044 4.350 0.001 0.000 0.192 148 E C 2.159 178.762 176.600 0.004 0.000 0.991 148 E CA 1.432 57.750 56.400 -0.136 0.000 0.799 148 E CB 0.114 29.592 29.700 -0.369 0.000 0.748 148 E HN 0.125 nan 8.360 nan 0.000 0.449 149 K N 0.840 121.216 120.400 -0.039 0.000 2.063 149 K HA -0.116 4.205 4.320 0.001 0.000 0.208 149 K C 1.799 178.466 176.600 0.112 0.000 1.048 149 K CA 1.661 57.972 56.287 0.039 0.000 0.928 149 K CB -0.602 31.766 32.500 -0.221 0.000 0.713 149 K HN 0.195 nan 8.250 nan 0.000 0.442 150 A N -0.005 122.972 122.820 0.261 0.000 1.902 150 A HA -0.088 4.233 4.320 0.001 0.000 0.217 150 A C 2.333 179.986 177.584 0.115 0.000 1.181 150 A CA 1.768 53.968 52.037 0.271 0.000 0.623 150 A CB -0.743 18.348 19.000 0.151 0.000 0.818 150 A HN 0.129 nan 8.150 nan 0.000 0.443 151 V N 0.230 120.182 119.914 0.063 0.000 2.343 151 V HA -0.279 3.841 4.120 0.001 0.000 0.247 151 V C 2.590 178.778 176.094 0.157 0.000 1.051 151 V CA 2.237 64.567 62.300 0.048 0.000 1.036 151 V CB -0.833 30.968 31.823 -0.038 0.000 0.654 151 V HN 0.534 nan 8.190 nan 0.000 0.451 152 R N -0.277 120.341 120.500 0.197 0.000 2.148 152 R HA -0.014 4.326 4.340 0.001 0.000 0.227 152 R C 1.899 178.270 176.300 0.119 0.000 1.103 152 R CA 1.035 57.236 56.100 0.168 0.000 0.983 152 R CB -0.255 30.135 30.300 0.150 0.000 0.874 152 R HN 0.445 nan 8.270 nan 0.000 0.451 153 L N 0.891 122.198 121.223 0.140 0.000 2.592 153 L HA 0.164 4.504 4.340 0.001 0.000 0.227 153 L C 0.459 177.472 176.870 0.239 0.000 1.127 153 L CA -0.152 54.797 54.840 0.182 0.000 0.884 153 L CB 0.021 42.227 42.059 0.246 0.000 1.065 153 L HN 0.056 nan 8.230 nan 0.000 0.457 154 L N 0.870 122.205 121.223 0.185 0.000 2.349 154 L HA 0.185 4.525 4.340 0.001 0.000 0.275 154 L C 0.562 177.505 176.870 0.122 0.000 1.115 154 L CA -0.157 54.787 54.840 0.174 0.000 0.820 154 L CB 0.876 43.041 42.059 0.176 0.000 1.135 154 L HN 0.081 nan 8.230 nan 0.000 0.445 155 K N 3.485 123.942 120.400 0.095 0.000 2.319 155 K HA 0.143 4.464 4.320 0.001 0.000 0.265 155 K C -2.232 174.395 176.600 0.046 0.000 1.000 155 K CA -1.483 54.832 56.287 0.047 0.000 0.943 155 K CB 0.097 32.610 32.500 0.021 0.000 0.950 155 K HN 0.276 nan 8.250 nan 0.000 0.485 156 P HA -0.129 nan 4.420 nan 0.000 0.260 156 P C 0.487 177.790 177.300 0.005 0.000 1.172 156 P CA 1.196 64.306 63.100 0.017 0.000 0.760 156 P CB 0.280 31.984 31.700 0.008 0.000 0.773 157 G N 2.224 111.017 108.800 -0.011 0.000 2.184 157 G HA2 -0.208 3.753 3.960 0.001 0.000 0.264 157 G HA3 -0.208 3.753 3.960 0.001 0.000 0.264 157 G C 0.697 175.584 174.900 -0.021 0.000 0.975 157 G CA -0.043 45.041 45.100 -0.027 0.000 0.642 157 G HN 0.889 nan 8.290 nan 0.000 0.536 158 G N -1.144 107.660 108.800 0.007 0.000 2.636 158 G HA2 0.561 4.522 3.960 0.001 0.000 0.246 158 G HA3 0.561 4.522 3.960 0.001 0.000 0.246 158 G C -0.247 174.657 174.900 0.007 0.000 1.216 158 G CA 0.414 45.528 45.100 0.024 0.000 0.854 158 G HN 1.065 nan 8.290 nan 0.000 0.572 159 V N 1.276 121.191 119.914 0.002 0.000 2.656 159 V HA 0.526 4.646 4.120 0.001 0.000 0.307 159 V C -0.069 176.003 176.094 -0.036 0.000 1.051 159 V CA -0.752 61.537 62.300 -0.019 0.000 0.893 159 V CB 1.629 33.423 31.823 -0.048 0.000 0.999 159 V HN 0.779 nan 8.190 nan 0.000 0.426 160 L N 5.212 126.418 121.223 -0.028 0.000 2.346 160 L HA 0.902 5.243 4.340 0.001 0.000 0.276 160 L C -1.527 175.230 176.870 -0.188 0.000 1.006 160 L CA -0.515 54.206 54.840 -0.199 0.000 0.817 160 L CB 2.083 43.963 42.059 -0.298 0.000 1.272 160 L HN 0.460 nan 8.230 nan 0.000 0.421 161 V N 4.922 124.692 119.914 -0.240 0.000 2.419 161 V HA 0.476 4.597 4.120 0.001 0.000 0.287 161 V C -0.840 175.256 176.094 0.004 0.000 1.017 161 V CA -0.306 61.919 62.300 -0.125 0.000 0.844 161 V CB 1.119 32.871 31.823 -0.118 0.000 1.011 161 V HN 0.523 nan 8.190 nan 0.000 0.429 162 F N 2.794 122.675 119.950 -0.115 0.000 2.508 162 F HA 0.615 5.143 4.527 0.001 0.000 0.325 162 F C 0.103 175.867 175.800 -0.060 0.000 1.090 162 F CA -1.570 56.349 58.000 -0.135 0.000 0.945 162 F CB 2.179 41.122 39.000 -0.095 0.000 1.156 162 F HN 0.249 nan 8.300 nan 0.000 0.463 163 V N 5.806 125.796 119.914 0.127 0.000 2.383 163 V HA 0.766 4.887 4.120 0.001 0.000 0.275 163 V C -0.929 175.241 176.094 0.127 0.000 1.036 163 V CA -0.283 62.108 62.300 0.153 0.000 0.889 163 V CB 1.014 32.977 31.823 0.233 0.000 0.985 163 V HN 0.604 nan 8.190 nan 0.000 0.459 164 V N 4.529 124.427 119.914 -0.026 0.000 3.159 164 V HA 0.780 4.900 4.120 0.001 0.000 0.308 164 V C -2.900 172.802 176.094 -0.652 0.000 1.190 164 V CA -2.693 59.319 62.300 -0.481 0.000 1.037 164 V CB 1.874 33.397 31.823 -0.500 0.000 1.060 164 V HN 0.647 nan 8.190 nan 0.000 0.437 165 P HA 0.266 nan 4.420 nan 0.000 0.269 165 P C 0.454 177.537 177.300 -0.363 0.000 1.217 165 P CA 0.544 63.209 63.100 -0.724 0.000 0.783 165 P CB 0.696 31.915 31.700 -0.802 0.000 0.898 166 A N 1.215 123.904 122.820 -0.218 0.000 2.238 166 A HA -0.053 4.267 4.320 0.001 0.000 0.208 166 A C 1.811 179.169 177.584 -0.377 0.000 1.177 166 A CA 1.382 53.237 52.037 -0.303 0.000 0.804 166 A CB -1.539 17.385 19.000 -0.126 0.000 0.823 166 A HN 0.620 nan 8.150 nan 0.000 0.482 167 T N -2.262 112.202 114.554 -0.149 0.000 2.881 167 T HA -0.186 4.164 4.350 0.001 0.000 0.270 167 T C 1.718 176.363 174.700 -0.092 0.000 1.068 167 T CA 1.213 63.303 62.100 -0.016 0.000 1.131 167 T CB -0.658 68.296 68.868 0.145 0.000 0.871 167 T HN 0.836 nan 8.240 nan 0.000 0.479 168 W N 0.954 122.018 121.300 -0.392 0.000 2.595 168 W HA 0.178 4.838 4.660 0.001 0.000 0.257 168 W C 0.855 177.323 176.519 -0.085 0.000 1.267 168 W CA -0.437 56.627 57.345 -0.467 0.000 1.300 168 W CB -0.997 28.058 29.460 -0.677 0.000 1.120 168 W HN 0.158 nan 8.180 nan 0.000 0.618 169 L N 1.885 122.529 121.223 -0.964 0.000 2.079 169 L HA -0.215 4.125 4.340 0.001 0.000 0.210 169 L C 2.680 179.419 176.870 -0.219 0.000 1.081 169 L CA 2.616 56.959 54.840 -0.829 0.000 0.752 169 L CB -1.366 40.008 42.059 -1.143 0.000 0.896 169 L HN 0.114 nan 8.230 nan 0.000 0.433 170 V N -5.744 114.151 119.914 -0.031 0.000 3.484 170 V HA 0.256 4.377 4.120 0.001 0.000 0.252 170 V C 0.915 177.115 176.094 0.176 0.000 1.282 170 V CA -0.362 62.020 62.300 0.138 0.000 1.104 170 V CB -0.195 31.766 31.823 0.230 0.000 0.868 170 V HN 0.009 nan 8.190 nan 0.000 0.457 171 L N 1.202 122.574 121.223 0.247 0.000 2.395 171 L HA 0.374 4.715 4.340 0.001 0.000 0.269 171 L C 1.622 178.643 176.870 0.253 0.000 1.133 171 L CA 0.011 55.016 54.840 0.274 0.000 0.812 171 L CB 1.002 43.285 42.059 0.374 0.000 1.125 171 L HN 0.185 nan 8.230 nan 0.000 0.452 172 E N 0.701 120.986 120.200 0.141 0.000 2.153 172 E HA -0.218 4.133 4.350 0.001 0.000 0.194 172 E C 0.908 177.528 176.600 0.032 0.000 0.988 172 E CA 1.225 57.677 56.400 0.086 0.000 0.811 172 E CB 0.137 29.862 29.700 0.042 0.000 0.746 172 E HN 0.667 nan 8.360 nan 0.000 0.466 173 D N -0.462 119.899 120.400 -0.065 0.000 2.265 173 D HA -0.143 4.497 4.640 0.001 0.000 0.208 173 D C 0.578 176.650 176.300 -0.381 0.000 0.977 173 D CA 0.958 54.767 54.000 -0.318 0.000 0.871 173 D CB 0.016 40.446 40.800 -0.617 0.000 0.925 173 D HN 0.164 nan 8.370 nan 0.000 0.485 174 F N -1.013 119.026 119.950 0.148 0.000 2.654 174 F HA 0.434 4.962 4.527 0.001 0.000 0.303 174 F C 1.844 177.768 175.800 0.206 0.000 1.099 174 F CA -0.408 57.718 58.000 0.210 0.000 1.270 174 F CB -0.091 39.056 39.000 0.245 0.000 1.024 174 F HN -0.148 nan 8.300 nan 0.000 0.548 175 A N 0.528 123.497 122.820 0.248 0.000 1.908 175 A HA -0.149 4.171 4.320 0.001 0.000 0.218 175 A C 2.167 179.839 177.584 0.147 0.000 1.181 175 A CA 1.621 53.767 52.037 0.181 0.000 0.627 175 A CB -0.762 18.301 19.000 0.106 0.000 0.818 175 A HN 0.419 nan 8.150 nan 0.000 0.445 176 L N -1.210 120.076 121.223 0.106 0.000 2.141 176 L HA -0.128 4.212 4.340 0.001 0.000 0.209 176 L C 2.528 179.482 176.870 0.140 0.000 1.094 176 L CA 0.865 55.751 54.840 0.076 0.000 0.763 176 L CB -0.479 41.575 42.059 -0.008 0.000 0.908 176 L HN 0.458 nan 8.230 nan 0.000 0.437 177 L N 0.066 121.413 121.223 0.206 0.000 2.017 177 L HA -0.190 4.151 4.340 0.001 0.000 0.208 177 L C 2.749 179.806 176.870 0.311 0.000 1.073 177 L CA 1.711 56.708 54.840 0.261 0.000 0.745 177 L CB -0.503 41.760 42.059 0.340 0.000 0.894 177 L HN 0.081 nan 8.230 nan 0.000 0.432 178 R N -0.307 120.414 120.500 0.370 0.000 2.096 178 R HA -0.208 4.133 4.340 0.001 0.000 0.240 178 R C 2.163 178.454 176.300 -0.016 0.000 1.139 178 R CA 2.034 58.359 56.100 0.375 0.000 0.952 178 R CB -0.519 30.042 30.300 0.436 0.000 0.854 178 R HN 0.537 nan 8.270 nan 0.000 0.436 179 E N -0.251 119.940 120.200 -0.016 0.000 2.110 179 E HA -0.208 4.143 4.350 0.001 0.000 0.193 179 E C 1.673 178.267 176.600 -0.010 0.000 0.988 179 E CA 1.170 57.510 56.400 -0.100 0.000 0.804 179 E CB -0.166 29.519 29.700 -0.025 0.000 0.745 179 E HN 0.251 nan 8.360 nan 0.000 0.458 180 F N 1.220 121.144 119.950 -0.042 0.000 2.084 180 F HA -0.141 4.386 4.527 0.001 0.000 0.296 180 F C 1.865 177.664 175.800 -0.002 0.000 1.111 180 F CA 1.230 59.219 58.000 -0.018 0.000 1.224 180 F CB -0.202 38.792 39.000 -0.009 0.000 0.991 180 F HN -0.102 nan 8.300 nan 0.000 0.471 181 L N 0.332 121.585 121.223 0.049 0.000 2.013 181 L HA -0.263 4.077 4.340 0.001 0.000 0.212 181 L C 2.831 179.826 176.870 0.208 0.000 1.073 181 L CA 1.434 56.307 54.840 0.055 0.000 0.753 181 L CB -1.325 40.911 42.059 0.295 0.000 0.890 181 L HN 0.292 nan 8.230 nan 0.000 0.432 182 A N 0.771 123.596 122.820 0.008 0.000 1.978 182 A HA -0.226 4.094 4.320 0.001 0.000 0.220 182 A C 2.321 179.900 177.584 -0.008 0.000 1.170 182 A CA 1.972 53.959 52.037 -0.083 0.000 0.636 182 A CB -0.574 18.006 19.000 -0.701 0.000 0.810 182 A HN 0.596 nan 8.150 nan 0.000 0.448 183 R N -1.475 118.986 120.500 -0.066 0.000 2.280 183 R HA 0.151 4.491 4.340 0.001 0.000 0.195 183 R C 0.907 177.175 176.300 -0.052 0.000 0.935 183 R CA 0.884 56.953 56.100 -0.050 0.000 1.033 183 R CB 0.015 30.280 30.300 -0.058 0.000 0.964 183 R HN 0.299 nan 8.270 nan 0.000 0.489 184 E N 0.711 120.866 120.200 -0.076 0.000 2.415 184 E HA 0.203 4.553 4.350 0.001 0.000 0.197 184 E C 0.621 177.339 176.600 0.197 0.000 1.007 184 E CA 0.860 57.236 56.400 -0.040 0.000 0.890 184 E CB 1.346 30.829 29.700 -0.362 0.000 0.891 184 E HN 0.530 nan 8.360 nan 0.000 0.496 185 G N 1.025 109.956 108.800 0.219 0.000 2.392 185 G HA2 0.211 4.172 3.960 0.001 0.000 0.260 185 G HA3 0.211 4.172 3.960 0.001 0.000 0.260 185 G C -1.525 173.344 174.900 -0.051 0.000 1.226 185 G CA -0.683 44.367 45.100 -0.083 0.000 0.913 185 G HN 0.034 nan 8.290 nan 0.000 0.483 186 K N -0.569 119.652 120.400 -0.298 0.000 2.221 186 K HA 0.781 5.102 4.320 0.001 0.000 0.258 186 K C -1.190 175.381 176.600 -0.049 0.000 0.944 186 K CA -0.588 55.654 56.287 -0.074 0.000 0.823 186 K CB 2.104 34.568 32.500 -0.061 0.000 1.113 186 K HN 0.346 nan 8.250 nan 0.000 0.431 187 T N 1.586 116.239 114.554 0.165 0.000 2.812 187 T HA 0.325 4.676 4.350 0.001 0.000 0.282 187 T C -0.901 173.878 174.700 0.133 0.000 0.990 187 T CA -0.834 61.410 62.100 0.240 0.000 0.960 187 T CB 1.461 70.550 68.868 0.367 0.000 0.948 187 T HN 0.580 nan 8.240 nan 0.000 0.438 188 S N 2.134 117.934 115.700 0.167 0.000 2.478 188 S HA 0.626 5.097 4.470 0.001 0.000 0.312 188 S C -0.330 174.321 174.600 0.085 0.000 1.094 188 S CA -0.743 57.535 58.200 0.130 0.000 1.081 188 S CB 1.355 64.664 63.200 0.182 0.000 1.007 188 S HN 0.506 nan 8.310 nan 0.000 0.475 189 V N 3.996 123.900 119.914 -0.016 0.000 2.417 189 V HA 0.429 4.549 4.120 0.001 0.000 0.291 189 V C -1.487 174.587 176.094 -0.033 0.000 1.024 189 V CA -0.670 61.657 62.300 0.046 0.000 0.861 189 V CB 0.768 32.564 31.823 -0.045 0.000 0.985 189 V HN 0.840 nan 8.190 nan 0.000 0.436 190 Y N 3.923 124.372 120.300 0.248 0.000 2.328 190 Y HA 0.442 4.992 4.550 0.001 0.000 0.333 190 Y C -0.316 175.734 175.900 0.249 0.000 0.958 190 Y CA -0.888 57.394 58.100 0.304 0.000 1.167 190 Y CB 1.157 39.806 38.460 0.315 0.000 1.151 190 Y HN 0.677 nan 8.280 nan 0.000 0.470 191 Y N 4.229 124.708 120.300 0.299 0.000 2.393 191 Y HA 0.310 4.860 4.550 0.001 0.000 0.338 191 Y C -0.024 175.896 175.900 0.032 0.000 1.029 191 Y CA -0.071 58.140 58.100 0.184 0.000 1.239 191 Y CB 0.612 39.243 38.460 0.285 0.000 1.170 191 Y HN 0.744 nan 8.280 nan 0.000 0.515 192 L N 5.150 125.968 121.223 -0.674 0.000 2.467 192 L HA 0.347 4.687 4.340 0.001 0.000 0.213 192 L C 1.438 177.789 176.870 -0.865 0.000 1.053 192 L CA 0.542 54.940 54.840 -0.736 0.000 0.847 192 L CB -0.448 41.206 42.059 -0.675 0.000 1.075 192 L HN 1.023 nan 8.230 nan 0.000 0.479 193 G N 0.877 108.980 108.800 -1.160 0.000 2.488 193 G HA2 -0.251 3.710 3.960 0.001 0.000 0.237 193 G HA3 -0.251 3.710 3.960 0.001 0.000 0.237 193 G C -0.277 174.471 174.900 -0.252 0.000 1.209 193 G CA -0.415 44.278 45.100 -0.678 0.000 0.929 193 G HN 0.278 nan 8.290 nan 0.000 0.578 194 E N 1.301 121.444 120.200 -0.096 0.000 1.856 194 E HA 0.330 4.680 4.350 0.001 0.000 0.263 194 E C 1.391 177.973 176.600 -0.029 0.000 1.137 194 E CA 0.320 56.712 56.400 -0.013 0.000 1.007 194 E CB 0.725 30.442 29.700 0.029 0.000 1.117 194 E HN 0.927 nan 8.360 nan 0.000 0.438 195 V N -0.778 119.076 119.914 -0.099 0.000 3.660 195 V HA 0.225 4.345 4.120 0.001 0.000 0.276 195 V C 0.261 176.207 176.094 -0.247 0.000 1.317 195 V CA -0.053 62.136 62.300 -0.184 0.000 1.097 195 V CB -0.427 31.218 31.823 -0.297 0.000 0.863 195 V HN 0.215 nan 8.190 nan 0.000 0.438 196 F N 4.088 124.049 119.950 0.019 0.000 2.371 196 F HA 0.631 5.159 4.527 0.001 0.000 0.363 196 F C -1.963 173.846 175.800 0.015 0.000 1.122 196 F CA -2.922 55.092 58.000 0.023 0.000 1.129 196 F CB 0.709 39.726 39.000 0.028 0.000 1.173 196 F HN 0.015 nan 8.300 nan 0.000 0.489 197 P HA 0.024 nan 4.420 nan 0.000 0.268 197 P C -0.433 176.922 177.300 0.093 0.000 1.205 197 P CA 0.151 63.307 63.100 0.094 0.000 0.771 197 P CB 0.886 32.620 31.700 0.057 0.000 0.858 198 Q N -1.548 118.291 119.800 0.065 0.000 2.284 198 Q HA -0.238 4.102 4.340 0.001 0.000 0.205 198 Q C -0.351 175.677 176.000 0.047 0.000 0.682 198 Q CA 1.517 57.348 55.803 0.046 0.000 1.401 198 Q CB -1.673 27.085 28.738 0.033 0.000 1.643 198 Q HN 0.563 nan 8.270 nan 0.000 0.717 199 K N 1.141 121.587 120.400 0.075 0.000 2.274 199 K HA 0.330 4.650 4.320 0.001 0.000 0.262 199 K C -0.595 176.048 176.600 0.072 0.000 0.961 199 K CA -0.614 55.704 56.287 0.053 0.000 0.833 199 K CB 1.088 33.595 32.500 0.012 0.000 1.102 199 K HN -0.024 nan 8.250 nan 0.000 0.436 200 K N 2.715 123.141 120.400 0.044 0.000 2.127 200 K HA 0.162 4.483 4.320 0.001 0.000 0.261 200 K C -0.823 175.804 176.600 0.045 0.000 1.129 200 K CA -0.218 56.095 56.287 0.043 0.000 0.993 200 K CB 0.543 33.057 32.500 0.024 0.000 1.410 200 K HN 0.196 nan 8.250 nan 0.000 0.380 201 V N 1.263 121.222 119.914 0.074 0.000 2.711 201 V HA 0.189 4.310 4.120 0.001 0.000 0.304 201 V C -1.194 174.948 176.094 0.080 0.000 1.097 201 V CA -0.579 61.756 62.300 0.058 0.000 0.906 201 V CB 2.204 34.049 31.823 0.038 0.000 1.015 201 V HN 0.595 nan 8.190 nan 0.000 0.427 202 S N 5.606 121.328 115.700 0.038 0.000 2.430 202 S HA 0.826 5.296 4.470 0.001 0.000 0.289 202 S C 0.012 174.594 174.600 -0.030 0.000 1.143 202 S CA 0.257 58.478 58.200 0.034 0.000 1.067 202 S CB 0.607 63.888 63.200 0.135 0.000 0.964 202 S HN 1.563 nan 8.310 nan 0.000 0.485 203 A N 4.121 126.885 122.820 -0.093 0.000 2.320 203 A HA 0.836 5.156 4.320 0.001 0.000 0.334 203 A C -0.171 177.313 177.584 -0.167 0.000 1.147 203 A CA -0.700 51.283 52.037 -0.090 0.000 0.820 203 A CB 1.167 20.214 19.000 0.079 0.000 1.218 203 A HN 1.312 nan 8.150 nan 0.000 0.482 204 V N -0.509 119.367 119.914 -0.063 0.000 2.864 204 V HA 0.815 4.935 4.120 0.001 0.000 0.314 204 V C -0.433 175.733 176.094 0.119 0.000 1.073 204 V CA -0.828 61.490 62.300 0.031 0.000 0.956 204 V CB 1.412 33.286 31.823 0.086 0.000 1.023 204 V HN 0.632 nan 8.190 nan 0.000 0.435 205 V N 4.233 124.271 119.914 0.207 0.000 2.407 205 V HA 0.453 4.573 4.120 0.001 0.000 0.278 205 V C 0.061 176.355 176.094 0.334 0.000 1.037 205 V CA -0.274 62.157 62.300 0.219 0.000 0.900 205 V CB 1.363 33.257 31.823 0.118 0.000 0.983 205 V HN 0.869 nan 8.190 nan 0.000 0.459 206 I N 6.081 126.812 120.570 0.269 0.000 2.336 206 I HA 0.510 4.681 4.170 0.001 0.000 0.292 206 I C 0.117 176.351 176.117 0.195 0.000 0.991 206 I CA -0.533 60.938 61.300 0.284 0.000 1.227 206 I CB 0.559 38.692 38.000 0.222 0.000 1.366 206 I HN 0.615 nan 8.210 nan 0.000 0.466 207 R N 7.929 128.582 120.500 0.255 0.000 2.288 207 R HA 0.319 4.659 4.340 0.001 0.000 0.326 207 R C -1.994 174.423 176.300 0.195 0.000 0.959 207 R CA -0.528 55.669 56.100 0.162 0.000 0.834 207 R CB 1.066 31.459 30.300 0.155 0.000 1.157 207 R HN 0.623 nan 8.270 nan 0.000 0.470 208 F N 3.282 123.229 119.950 -0.005 0.000 2.458 208 F HA 0.324 4.851 4.527 0.001 0.000 0.336 208 F C -0.732 175.060 175.800 -0.013 0.000 1.114 208 F CA -0.526 57.477 58.000 0.005 0.000 0.987 208 F CB 1.778 40.764 39.000 -0.025 0.000 1.130 208 F HN 0.472 nan 8.300 nan 0.000 0.458 209 Q N 5.616 124.951 119.800 -0.776 0.000 2.333 209 Q HA 0.255 4.596 4.340 0.001 0.000 0.267 209 Q C -0.833 174.605 176.000 -0.938 0.000 1.012 209 Q CA -0.884 54.559 55.803 -0.600 0.000 0.824 209 Q CB 1.639 30.207 28.738 -0.284 0.000 1.290 209 Q HN 0.756 nan 8.270 nan 0.000 0.449 210 K N 2.681 122.811 120.400 -0.449 0.000 2.715 210 K HA 0.128 4.449 4.320 0.001 0.000 0.248 210 K C -1.382 175.138 176.600 -0.132 0.000 1.276 210 K CA 0.162 56.340 56.287 -0.182 0.000 1.209 210 K CB -0.320 32.247 32.500 0.112 0.000 1.509 210 K HN 0.647 nan 8.250 nan 0.000 0.261 211 S N -0.924 114.657 115.700 -0.197 0.000 2.578 211 S HA 0.647 5.117 4.470 0.001 0.000 0.272 211 S C 0.078 174.618 174.600 -0.100 0.000 1.145 211 S CA -0.616 57.523 58.200 -0.102 0.000 0.835 211 S CB 1.139 64.297 63.200 -0.070 0.000 1.104 211 S HN 0.555 nan 8.310 nan 0.000 0.458 212 G N 1.483 110.255 108.800 -0.046 0.000 2.569 212 G HA2 0.057 4.018 3.960 0.001 0.000 0.259 212 G HA3 0.057 4.018 3.960 0.001 0.000 0.259 212 G C -0.513 174.385 174.900 -0.003 0.000 1.263 212 G CA 0.760 45.846 45.100 -0.023 0.000 0.928 212 G HN 1.958 nan 8.290 nan 0.000 0.572 213 K N -1.604 118.809 120.400 0.022 0.000 2.617 213 K HA 0.728 5.048 4.320 0.001 0.000 0.293 213 K C 0.077 176.739 176.600 0.103 0.000 1.034 213 K CA 0.104 56.437 56.287 0.077 0.000 0.884 213 K CB 1.370 33.920 32.500 0.084 0.000 1.541 213 K HN 2.804 nan 8.250 nan 0.000 0.409 214 G N -0.247 108.671 108.800 0.198 0.000 2.612 214 G HA2 0.195 4.156 3.960 0.001 0.000 0.686 214 G HA3 0.195 4.156 3.960 0.001 0.000 0.686 214 G C -2.120 172.931 174.900 0.251 0.000 1.274 214 G CA -0.451 44.777 45.100 0.213 0.000 0.849 214 G HN 0.855 nan 8.290 nan 0.000 0.595 215 L N 0.140 121.455 121.223 0.154 0.000 2.386 215 L HA 0.893 5.233 4.340 0.001 0.000 0.271 215 L C 0.012 176.861 176.870 -0.036 0.000 0.993 215 L CA -0.461 54.327 54.840 -0.087 0.000 0.819 215 L CB 2.304 43.991 42.059 -0.620 0.000 1.294 215 L HN 0.887 nan 8.230 nan 0.000 0.414 216 S N 4.928 120.601 115.700 -0.045 0.000 2.473 216 S HA 0.722 5.192 4.470 0.001 0.000 0.307 216 S C -1.151 173.378 174.600 -0.118 0.000 1.094 216 S CA -0.439 57.707 58.200 -0.090 0.000 1.070 216 S CB 1.563 64.772 63.200 0.015 0.000 1.019 216 S HN 0.605 nan 8.310 nan 0.000 0.480 217 L N 3.558 124.649 121.223 -0.219 0.000 2.313 217 L HA 0.747 5.087 4.340 0.001 0.000 0.283 217 L C -1.998 174.790 176.870 -0.136 0.000 1.013 217 L CA -0.270 54.466 54.840 -0.173 0.000 0.816 217 L CB 0.527 42.439 42.059 -0.245 0.000 1.236 217 L HN 0.727 nan 8.230 nan 0.000 0.419 218 W N 3.577 124.837 121.300 -0.066 0.000 2.819 218 W HA 0.461 5.122 4.660 0.001 0.000 0.337 218 W C -0.157 176.554 176.519 0.321 0.000 1.077 218 W CA -0.532 56.882 57.345 0.115 0.000 1.226 218 W CB 1.248 30.673 29.460 -0.058 0.000 1.419 218 W HN 0.433 nan 8.180 nan 0.000 0.502 219 D N 0.575 121.350 120.400 0.626 0.000 2.423 219 D HA 0.577 5.217 4.640 0.001 0.000 0.255 219 D C -0.176 176.377 176.300 0.422 0.000 1.174 219 D CA 0.161 54.441 54.000 0.467 0.000 1.008 219 D CB 1.388 42.397 40.800 0.348 0.000 1.101 219 D HN 0.341 nan 8.370 nan 0.000 0.516 220 T N -2.057 112.668 114.554 0.284 0.000 2.896 220 T HA 0.653 5.003 4.350 0.001 0.000 0.297 220 T C -0.847 173.953 174.700 0.167 0.000 1.108 220 T CA -0.977 61.228 62.100 0.175 0.000 1.004 220 T CB 1.691 70.533 68.868 -0.043 0.000 1.159 220 T HN 0.472 nan 8.240 nan 0.000 0.499 221 Q N 0.232 120.122 119.800 0.151 0.000 2.423 221 Q HA 0.574 4.914 4.340 0.001 0.000 0.278 221 Q C -1.188 174.863 176.000 0.085 0.000 1.097 221 Q CA -1.056 54.823 55.803 0.126 0.000 0.809 221 Q CB 2.040 30.829 28.738 0.085 0.000 1.391 221 Q HN 0.698 nan 8.270 nan 0.000 0.428 222 E N 1.196 121.396 120.200 0.000 0.000 2.413 222 E HA 0.178 4.529 4.350 0.001 0.000 0.263 222 E C -0.379 176.098 176.600 -0.204 0.000 1.015 222 E CA 0.291 56.535 56.400 -0.259 0.000 0.916 222 E CB 0.874 30.427 29.700 -0.246 0.000 0.947 222 E HN 0.694 nan 8.360 nan 0.000 0.440 223 S N 1.318 116.845 115.700 -0.289 0.000 2.823 223 S HA 0.225 4.695 4.470 0.001 0.000 0.316 223 S C 0.945 175.438 174.600 -0.178 0.000 1.116 223 S CA -0.801 57.298 58.200 -0.170 0.000 0.911 223 S CB 1.401 64.530 63.200 -0.118 0.000 1.276 223 S HN 0.606 nan 8.310 nan 0.000 0.565 224 E N 0.525 120.655 120.200 -0.116 0.000 2.038 224 E HA -0.122 4.229 4.350 0.001 0.000 0.195 224 E C 1.531 178.057 176.600 -0.123 0.000 1.000 224 E CA 1.843 58.182 56.400 -0.102 0.000 0.803 224 E CB -0.060 29.600 29.700 -0.067 0.000 0.750 224 E HN 0.737 nan 8.360 nan 0.000 0.448 225 S N -2.068 113.561 115.700 -0.118 0.000 2.603 225 S HA 0.438 4.908 4.470 0.001 0.000 0.232 225 S C 0.508 175.026 174.600 -0.136 0.000 1.016 225 S CA -0.109 58.025 58.200 -0.109 0.000 0.976 225 S CB 1.606 64.767 63.200 -0.064 0.000 0.921 225 S HN 0.312 nan 8.310 nan 0.000 0.516 226 G N 0.649 109.312 108.800 -0.228 0.000 2.947 226 G HA2 0.529 4.489 3.960 0.001 0.000 0.115 226 G HA3 0.529 4.489 3.960 0.001 0.000 0.115 226 G C -1.801 172.675 174.900 -0.707 0.000 1.214 226 G CA -0.631 44.289 45.100 -0.299 0.000 1.324 226 G HN 0.235 nan 8.290 nan 0.000 0.645 227 F N 0.578 120.395 119.950 -0.221 0.000 2.578 227 F HA 0.661 5.188 4.527 0.001 0.000 0.311 227 F C -0.116 175.454 175.800 -0.382 0.000 1.094 227 F CA -0.607 57.118 58.000 -0.458 0.000 0.923 227 F CB 2.830 41.248 39.000 -0.970 0.000 1.230 227 F HN 0.215 nan 8.300 nan 0.000 0.450 228 T N 4.289 118.808 114.554 -0.059 0.000 2.771 228 T HA 0.445 4.795 4.350 0.001 0.000 0.281 228 T C -2.759 171.997 174.700 0.093 0.000 0.982 228 T CA -1.525 60.599 62.100 0.041 0.000 0.978 228 T CB 1.494 70.400 68.868 0.064 0.000 0.930 228 T HN 0.130 nan 8.240 nan 0.000 0.447 229 P HA 0.456 nan 4.420 nan 0.000 0.284 229 P C -0.997 176.618 177.300 0.524 0.000 1.253 229 P CA -0.622 62.717 63.100 0.399 0.000 0.800 229 P CB 0.753 32.683 31.700 0.384 0.000 0.961 230 I N 3.332 124.270 120.570 0.613 0.000 2.439 230 I HA 0.216 4.386 4.170 0.001 0.000 0.285 230 I C 0.090 176.503 176.117 0.494 0.000 1.021 230 I CA -1.126 60.472 61.300 0.497 0.000 1.091 230 I CB 1.540 39.737 38.000 0.330 0.000 1.242 230 I HN 0.250 nan 8.210 nan 0.000 0.439 231 L N 6.547 127.889 121.223 0.198 0.000 2.462 231 L HA 0.067 4.407 4.340 0.001 0.000 0.272 231 L C 0.538 177.353 176.870 -0.093 0.000 1.166 231 L CA 0.818 55.425 54.840 -0.387 0.000 0.880 231 L CB 0.485 42.061 42.059 -0.806 0.000 1.142 231 L HN 0.710 nan 8.230 nan 0.000 0.473 232 W N 5.767 126.920 121.300 -0.245 0.000 2.728 232 W HA 0.481 5.142 4.660 0.001 0.000 0.270 232 W C -0.278 176.127 176.519 -0.191 0.000 1.150 232 W CA 0.696 57.986 57.345 -0.092 0.000 1.518 232 W CB 0.483 30.016 29.460 0.121 0.000 1.069 232 W HN 0.656 nan 8.180 nan 0.000 0.590 233 A N 0.932 123.713 122.820 -0.065 0.000 2.605 233 A HA 0.493 4.813 4.320 0.001 0.000 0.294 233 A C -1.605 175.784 177.584 -0.326 0.000 1.062 233 A CA -0.600 51.302 52.037 -0.225 0.000 0.682 233 A CB 1.243 20.192 19.000 -0.085 0.000 1.278 233 A HN 0.131 nan 8.150 nan 0.000 0.410 234 E N 0.250 120.177 120.200 -0.454 0.000 2.222 234 E HA 0.520 4.871 4.350 0.001 0.000 0.267 234 E C -1.983 174.329 176.600 -0.479 0.000 0.884 234 E CA -0.373 55.817 56.400 -0.349 0.000 0.764 234 E CB 2.096 31.644 29.700 -0.253 0.000 1.169 234 E HN 0.530 nan 8.360 nan 0.000 0.413 235 Y N 2.345 122.590 120.300 -0.091 0.000 2.805 235 Y HA 0.206 4.756 4.550 0.001 0.000 0.339 235 Y C -1.670 174.235 175.900 0.009 0.000 1.012 235 Y CA -2.087 56.005 58.100 -0.014 0.000 1.262 235 Y CB 0.980 39.451 38.460 0.019 0.000 1.100 235 Y HN 0.466 nan 8.280 nan 0.000 0.559 236 P HA -0.169 nan 4.420 nan 0.000 0.221 236 P C 0.190 177.386 177.300 -0.172 0.000 1.145 236 P CA 1.702 64.707 63.100 -0.158 0.000 0.795 236 P CB 0.274 31.748 31.700 -0.377 0.000 0.775 237 H N -3.417 115.776 119.070 0.204 0.000 2.486 237 H HA 0.155 4.711 4.556 0.001 0.000 0.284 237 H C 0.035 175.508 175.328 0.241 0.000 1.103 237 H CA -0.964 55.193 56.048 0.182 0.000 1.089 237 H CB -0.558 29.282 29.762 0.131 0.000 1.603 237 H HN 0.083 nan 8.280 nan 0.000 0.557 238 W N 2.570 123.972 121.300 0.169 0.000 2.385 238 W HA -0.042 4.618 4.660 0.001 0.000 0.336 238 W C 0.334 176.919 176.519 0.111 0.000 1.351 238 W CA 0.338 57.756 57.345 0.122 0.000 1.295 238 W CB 0.515 30.035 29.460 0.100 0.000 1.239 238 W HN 0.282 nan 8.180 nan 0.000 0.565 239 E N 3.175 123.160 120.200 -0.358 0.000 2.583 239 E HA 0.221 4.571 4.350 0.001 0.000 0.213 239 E C 1.176 177.369 176.600 -0.677 0.000 0.989 239 E CA 0.449 56.609 56.400 -0.399 0.000 0.991 239 E CB 0.533 30.146 29.700 -0.145 0.000 1.040 239 E HN 0.826 nan 8.360 nan 0.000 0.481 240 G N 2.426 110.409 108.800 -1.361 0.000 2.159 240 G HA2 -0.187 3.773 3.960 0.001 0.000 0.170 240 G HA3 -0.187 3.773 3.960 0.001 0.000 0.170 240 G C 0.031 174.783 174.900 -0.246 0.000 1.007 240 G CA -0.195 44.328 45.100 -0.961 0.000 0.672 240 G HN 0.200 nan 8.290 nan 0.000 0.507 241 E N 1.135 121.263 120.200 -0.121 0.000 2.408 241 E HA 0.341 4.692 4.350 0.001 0.000 0.259 241 E C 0.904 177.689 176.600 0.307 0.000 1.110 241 E CA -0.655 55.827 56.400 0.137 0.000 0.929 241 E CB 0.982 30.745 29.700 0.104 0.000 0.971 241 E HN 0.433 nan 8.360 nan 0.000 0.438 242 I N 1.185 121.867 120.570 0.186 0.000 2.906 242 I HA -0.170 4.001 4.170 0.001 0.000 0.302 242 I C 0.540 176.690 176.117 0.054 0.000 1.220 242 I CA 0.707 62.096 61.300 0.148 0.000 1.441 242 I CB -0.137 37.955 38.000 0.153 0.000 1.336 242 I HN 0.304 nan 8.210 nan 0.000 0.565 243 I N 7.813 128.347 120.570 -0.059 0.000 2.315 243 I HA 0.361 4.531 4.170 0.001 0.000 0.291 243 I C 0.119 176.137 176.117 -0.164 0.000 1.006 243 I CA -0.337 60.800 61.300 -0.271 0.000 1.265 243 I CB 0.564 38.263 38.000 -0.502 0.000 1.387 243 I HN 0.589 nan 8.210 nan 0.000 0.475 244 R N 4.924 125.295 120.500 -0.215 0.000 2.808 244 R HA 0.478 4.819 4.340 0.001 0.000 0.272 244 R C -1.409 174.729 176.300 -0.270 0.000 0.995 244 R CA -0.861 55.149 56.100 -0.150 0.000 0.917 244 R CB 1.687 31.863 30.300 -0.208 0.000 1.217 244 R HN 0.273 nan 8.270 nan 0.000 0.471 245 F N 2.074 121.880 119.950 -0.240 0.000 2.515 245 F HA 0.173 4.701 4.527 0.001 0.000 0.353 245 F C 0.543 176.333 175.800 -0.016 0.000 1.213 245 F CA 0.002 57.796 58.000 -0.343 0.000 1.194 245 F CB 0.342 38.856 39.000 -0.810 0.000 1.488 245 F HN 0.234 nan 8.300 nan 0.000 0.619 246 E N 1.245 121.657 120.200 0.352 0.000 2.319 246 E HA 0.436 4.786 4.350 0.001 0.000 0.268 246 E C 0.189 177.019 176.600 0.384 0.000 1.050 246 E CA -0.469 56.101 56.400 0.284 0.000 0.878 246 E CB 1.333 31.164 29.700 0.219 0.000 1.066 246 E HN 0.486 nan 8.360 nan 0.000 0.406 247 T N -2.294 112.388 114.554 0.213 0.000 2.887 247 T HA 0.182 4.532 4.350 0.001 0.000 0.292 247 T C 0.902 175.641 174.700 0.066 0.000 1.087 247 T CA -0.891 61.282 62.100 0.121 0.000 1.009 247 T CB 1.681 70.633 68.868 0.139 0.000 1.203 247 T HN 0.554 nan 8.240 nan 0.000 0.518 248 E N 0.325 120.535 120.200 0.016 0.000 2.097 248 E HA -0.239 4.111 4.350 0.001 0.000 0.196 248 E C 1.644 178.276 176.600 0.053 0.000 1.000 248 E CA 1.850 58.261 56.400 0.019 0.000 0.804 248 E CB -0.043 29.652 29.700 -0.008 0.000 0.740 248 E HN 0.783 nan 8.360 nan 0.000 0.454 249 E N -0.603 119.638 120.200 0.068 0.000 2.106 249 E HA -0.155 4.196 4.350 0.001 0.000 0.192 249 E C 2.243 178.934 176.600 0.151 0.000 0.984 249 E CA 1.673 58.130 56.400 0.097 0.000 0.806 249 E CB -0.106 29.652 29.700 0.096 0.000 0.750 249 E HN 0.432 nan 8.360 nan 0.000 0.458 250 T N -0.634 114.021 114.554 0.169 0.000 2.821 250 T HA -0.106 4.245 4.350 0.001 0.000 0.267 250 T C 1.918 176.759 174.700 0.235 0.000 1.046 250 T CA 0.728 62.981 62.100 0.255 0.000 1.139 250 T CB -0.132 68.798 68.868 0.104 0.000 0.871 250 T HN 0.020 nan 8.240 nan 0.000 0.454 251 R N 1.023 121.612 120.500 0.148 0.000 2.075 251 R HA 0.093 4.433 4.340 0.001 0.000 0.232 251 R C 2.855 179.215 176.300 0.099 0.000 1.126 251 R CA 1.242 57.413 56.100 0.118 0.000 0.963 251 R CB -0.173 30.178 30.300 0.086 0.000 0.858 251 R HN 0.409 nan 8.270 nan 0.000 0.435 252 K N 0.459 120.910 120.400 0.085 0.000 2.057 252 K HA -0.160 4.160 4.320 0.001 0.000 0.207 252 K C 2.057 178.696 176.600 0.066 0.000 1.049 252 K CA 1.066 57.390 56.287 0.063 0.000 0.931 252 K CB -0.210 32.322 32.500 0.053 0.000 0.714 252 K HN 0.038 nan 8.250 nan 0.000 0.440 253 L N 1.819 123.095 121.223 0.088 0.000 2.093 253 L HA -0.137 4.203 4.340 0.001 0.000 0.208 253 L C 1.898 178.802 176.870 0.056 0.000 1.085 253 L CA 1.688 56.566 54.840 0.063 0.000 0.755 253 L CB -0.156 41.919 42.059 0.028 0.000 0.904 253 L HN 0.141 nan 8.230 nan 0.000 0.435 254 E N -0.399 119.862 120.200 0.101 0.000 2.106 254 E HA -0.173 4.178 4.350 0.001 0.000 0.192 254 E C 2.106 178.760 176.600 0.090 0.000 0.984 254 E CA 1.566 58.036 56.400 0.118 0.000 0.806 254 E CB -0.179 29.623 29.700 0.170 0.000 0.750 254 E HN 0.688 nan 8.360 nan 0.000 0.458 255 I N -0.711 119.903 120.570 0.073 0.000 3.111 255 I HA -0.044 4.126 4.170 0.001 0.000 0.272 255 I C 2.233 178.368 176.117 0.031 0.000 1.268 255 I CA 0.789 62.120 61.300 0.052 0.000 1.467 255 I CB -0.325 37.702 38.000 0.045 0.000 1.087 255 I HN -0.046 nan 8.210 nan 0.000 0.467 256 S N 0.921 116.635 115.700 0.023 0.000 2.447 256 S HA 0.189 4.660 4.470 0.001 0.000 0.233 256 S C 1.024 175.606 174.600 -0.030 0.000 1.006 256 S CA 0.460 58.652 58.200 -0.013 0.000 0.957 256 S CB -0.492 62.693 63.200 -0.025 0.000 0.773 256 S HN 0.655 nan 8.310 nan 0.000 0.507 257 G N -0.214 108.591 108.800 0.009 0.000 2.721 257 G HA2 0.601 4.562 3.960 0.001 0.000 0.296 257 G HA3 0.601 4.562 3.960 0.001 0.000 0.296 257 G C -1.135 173.808 174.900 0.071 0.000 1.383 257 G CA -1.204 43.908 45.100 0.019 0.000 0.788 257 G HN 0.276 nan 8.290 nan 0.000 0.500 258 M N 1.405 121.064 119.600 0.098 0.000 2.233 258 M HA 0.262 4.743 4.480 0.001 0.000 0.350 258 M C -2.207 174.174 176.300 0.135 0.000 1.176 258 M CA -1.264 54.104 55.300 0.114 0.000 1.150 258 M CB 1.167 33.846 32.600 0.132 0.000 1.530 258 M HN 0.128 nan 8.290 nan 0.000 0.459 259 P HA -0.056 nan 4.420 nan 0.000 0.264 259 P C 0.423 177.816 177.300 0.155 0.000 1.193 259 P CA -0.105 63.074 63.100 0.132 0.000 0.763 259 P CB 0.395 32.158 31.700 0.104 0.000 0.810 260 L N 4.557 125.888 121.223 0.181 0.000 2.137 260 L HA -0.152 4.189 4.340 0.001 0.000 0.213 260 L C 2.200 179.211 176.870 0.236 0.000 1.085 260 L CA 2.520 57.503 54.840 0.238 0.000 0.760 260 L CB -1.388 40.776 42.059 0.175 0.000 0.893 260 L HN 0.545 nan 8.230 nan 0.000 0.434 261 G N -1.847 107.037 108.800 0.140 0.000 2.509 261 G HA2 -0.228 3.733 3.960 0.001 0.000 0.218 261 G HA3 -0.228 3.733 3.960 0.001 0.000 0.218 261 G C 1.151 176.101 174.900 0.084 0.000 1.124 261 G CA 0.752 45.915 45.100 0.105 0.000 0.776 261 G HN 0.400 nan 8.290 nan 0.000 0.547 262 D N 0.035 120.488 120.400 0.088 0.000 2.277 262 D HA 0.044 4.684 4.640 0.001 0.000 0.208 262 D C 2.419 178.770 176.300 0.085 0.000 0.962 262 D CA 0.352 54.389 54.000 0.061 0.000 0.865 262 D CB 0.146 40.977 40.800 0.052 0.000 0.939 262 D HN 0.330 nan 8.370 nan 0.000 0.510 263 L N -1.501 119.757 121.223 0.060 0.000 2.408 263 L HA 0.178 4.519 4.340 0.001 0.000 0.215 263 L C 0.018 176.610 176.870 -0.464 0.000 1.081 263 L CA 0.303 55.051 54.840 -0.154 0.000 0.840 263 L CB 0.261 42.221 42.059 -0.164 0.000 1.002 263 L HN -0.152 nan 8.230 nan 0.000 0.468 264 F N -1.700 118.214 119.950 -0.060 0.000 2.551 264 F HA 0.406 4.933 4.527 0.000 0.000 0.316 264 F C 0.205 175.914 175.800 -0.152 0.000 1.089 264 F CA -1.040 56.903 58.000 -0.095 0.000 0.915 264 F CB 1.083 40.072 39.000 -0.018 0.000 1.186 264 F HN -0.143 nan 8.300 nan 0.000 0.456 265 H N 3.966 123.148 119.070 0.186 0.000 2.819 265 H HA 0.344 4.901 4.556 0.001 0.000 0.303 265 H C -0.228 175.145 175.328 0.075 0.000 1.058 265 H CA 0.267 56.377 56.048 0.103 0.000 1.471 265 H CB 0.802 30.598 29.762 0.057 0.000 1.480 265 H HN 0.422 nan 8.280 nan 0.000 0.517 266 I N 5.081 125.749 120.570 0.162 0.000 2.339 266 I HA 0.266 4.436 4.170 0.001 0.000 0.290 266 I C 0.408 176.590 176.117 0.109 0.000 0.994 266 I CA -0.538 60.812 61.300 0.083 0.000 1.191 266 I CB 0.684 38.705 38.000 0.035 0.000 1.343 266 I HN 0.275 nan 8.210 nan 0.000 0.458 267 R N 4.558 125.085 120.500 0.045 0.000 2.919 267 R HA 0.573 4.914 4.340 0.001 0.000 0.260 267 R C -1.212 175.222 176.300 0.225 0.000 1.067 267 R CA -0.990 55.168 56.100 0.097 0.000 1.003 267 R CB 2.192 32.459 30.300 -0.056 0.000 1.192 267 R HN 0.334 nan 8.270 nan 0.000 0.488 268 F N 0.178 120.209 119.950 0.136 0.000 2.497 268 F HA 0.586 5.114 4.527 0.001 0.000 0.331 268 F C 0.257 176.230 175.800 0.287 0.000 1.060 268 F CA -0.645 57.431 58.000 0.127 0.000 0.989 268 F CB 1.482 40.463 39.000 -0.031 0.000 1.245 268 F HN 0.671 nan 8.300 nan 0.000 0.486 269 A N 2.258 125.035 122.820 -0.072 0.000 2.466 269 A HA 0.497 4.817 4.320 0.001 0.000 0.238 269 A C -0.105 177.689 177.584 0.349 0.000 1.074 269 A CA -0.006 52.168 52.037 0.229 0.000 0.774 269 A CB -0.594 18.539 19.000 0.221 0.000 1.015 269 A HN 1.140 nan 8.150 nan 0.000 0.498 270 A N 2.084 125.118 122.820 0.357 0.000 2.520 270 A HA 0.460 4.780 4.320 0.001 0.000 0.235 270 A C 0.606 178.427 177.584 0.394 0.000 1.065 270 A CA -0.149 52.037 52.037 0.248 0.000 0.764 270 A CB 0.031 19.030 19.000 -0.002 0.000 1.002 270 A HN 0.780 nan 8.150 nan 0.000 0.502 271 R N 1.457 122.124 120.500 0.278 0.000 2.532 271 R HA 0.283 4.623 4.340 0.001 0.000 0.272 271 R C 1.733 178.244 176.300 0.352 0.000 1.032 271 R CA 0.102 56.381 56.100 0.298 0.000 1.089 271 R CB 0.271 30.692 30.300 0.200 0.000 1.098 271 R HN 1.000 nan 8.270 nan 0.000 0.526 272 S N 1.387 117.264 115.700 0.295 0.000 2.381 272 S HA -0.150 4.320 4.470 0.001 0.000 0.230 272 S C -0.970 173.775 174.600 0.242 0.000 1.052 272 S CA 1.458 59.816 58.200 0.263 0.000 1.068 272 S CB -1.092 62.193 63.200 0.141 0.000 0.918 272 S HN 0.457 nan 8.310 nan 0.000 0.448 273 P HA 0.010 nan 4.420 nan 0.000 0.220 273 P C 1.226 178.595 177.300 0.114 0.000 1.148 273 P CA 1.232 64.408 63.100 0.127 0.000 0.803 273 P CB -0.168 31.590 31.700 0.096 0.000 0.782 274 E N -1.467 118.790 120.200 0.095 0.000 2.106 274 E HA -0.130 4.220 4.350 0.001 0.000 0.192 274 E C 1.636 178.205 176.600 -0.052 0.000 0.984 274 E CA 0.927 57.321 56.400 -0.009 0.000 0.806 274 E CB -0.524 29.115 29.700 -0.101 0.000 0.750 274 E HN 0.271 nan 8.360 nan 0.000 0.458 275 F N 1.680 121.673 119.950 0.072 0.000 2.113 275 F HA -0.111 4.416 4.527 0.000 0.000 0.297 275 F C 2.277 178.129 175.800 0.087 0.000 1.103 275 F CA 1.171 59.206 58.000 0.060 0.000 1.248 275 F CB -0.142 38.870 39.000 0.019 0.000 0.999 275 F HN -0.168 nan 8.300 nan 0.000 0.475 276 K N 0.540 121.091 120.400 0.252 0.000 2.152 276 K HA -0.204 4.117 4.320 0.001 0.000 0.206 276 K C 1.869 178.549 176.600 0.133 0.000 1.048 276 K CA 1.676 58.064 56.287 0.168 0.000 0.933 276 K CB -0.278 32.298 32.500 0.127 0.000 0.721 276 K HN 0.348 nan 8.250 nan 0.000 0.447 277 K N 0.342 120.812 120.400 0.116 0.000 2.426 277 K HA -0.040 4.281 4.320 0.001 0.000 0.193 277 K C 0.185 176.827 176.600 0.070 0.000 1.028 277 K CA 0.214 56.547 56.287 0.075 0.000 1.047 277 K CB -0.081 32.447 32.500 0.048 0.000 0.821 277 K HN 0.090 nan 8.250 nan 0.000 0.513 278 H N 2.813 121.897 119.070 0.023 0.000 2.722 278 H HA 0.096 4.652 4.556 0.000 0.000 0.328 278 H C -1.550 173.795 175.328 0.029 0.000 1.067 278 H CA -1.458 54.594 56.048 0.007 0.000 1.447 278 H CB 1.352 31.104 29.762 -0.017 0.000 1.469 278 H HN -0.056 nan 8.280 nan 0.000 0.544 279 P HA -0.175 nan 4.420 nan 0.000 0.221 279 P C 0.502 177.822 177.300 0.032 0.000 1.145 279 P CA 1.502 64.530 63.100 -0.120 0.000 0.795 279 P CB 0.246 31.823 31.700 -0.206 0.000 0.775 280 A N -0.677 122.273 122.820 0.218 0.000 2.169 280 A HA 0.188 4.508 4.320 0.001 0.000 0.210 280 A C 1.084 178.794 177.584 0.210 0.000 1.168 280 A CA 0.047 52.223 52.037 0.231 0.000 0.813 280 A CB -0.294 18.875 19.000 0.281 0.000 0.861 280 A HN 0.024 nan 8.150 nan 0.000 0.481 281 V N 2.334 122.400 119.914 0.253 0.000 2.637 281 V HA 0.257 4.378 4.120 0.001 0.000 0.296 281 V C 0.193 176.389 176.094 0.170 0.000 1.046 281 V CA 0.008 62.434 62.300 0.210 0.000 1.066 281 V CB 0.538 32.512 31.823 0.251 0.000 0.968 281 V HN 0.443 nan 8.190 nan 0.000 0.483 282 R N 3.336 123.950 120.500 0.190 0.000 2.888 282 R HA 0.504 4.845 4.340 0.001 0.000 0.266 282 R C 0.134 176.591 176.300 0.261 0.000 1.020 282 R CA -0.839 55.363 56.100 0.170 0.000 0.963 282 R CB 1.507 31.872 30.300 0.109 0.000 1.197 282 R HN 0.539 nan 8.270 nan 0.000 0.481 283 K N 0.684 121.206 120.400 0.202 0.000 2.358 283 K HA 0.180 4.501 4.320 0.001 0.000 0.197 283 K C -0.203 176.535 176.600 0.231 0.000 1.025 283 K CA 0.194 56.643 56.287 0.270 0.000 1.104 283 K CB 0.778 33.369 32.500 0.152 0.000 0.855 283 K HN 0.325 nan 8.250 nan 0.000 0.531 284 E N 0.799 120.980 120.200 -0.033 0.000 2.369 284 E HA 0.344 4.694 4.350 0.001 0.000 0.270 284 E C -2.696 173.301 176.600 -1.005 0.000 0.909 284 E CA -2.382 53.719 56.400 -0.498 0.000 0.775 284 E CB 1.814 31.345 29.700 -0.282 0.000 1.270 284 E HN -0.146 nan 8.360 nan 0.000 0.445 285 P HA 0.442 nan 4.420 nan 0.000 0.274 285 P C -0.257 176.721 177.300 -0.537 0.000 1.256 285 P CA -0.167 62.164 63.100 -1.282 0.000 0.795 285 P CB 0.860 31.937 31.700 -1.038 0.000 1.038 286 G N -0.491 108.109 108.800 -0.334 0.000 2.441 286 G HA2 0.466 4.426 3.960 0.001 0.000 0.294 286 G HA3 0.466 4.426 3.960 0.001 0.000 0.294 286 G C -3.316 171.523 174.900 -0.102 0.000 1.393 286 G CA -0.844 44.149 45.100 -0.178 0.000 0.796 286 G HN 0.219 nan 8.290 nan 0.000 0.494 287 P HA 0.444 nan 4.420 nan 0.000 0.282 287 P C 0.802 178.086 177.300 -0.027 0.000 1.274 287 P CA 1.459 64.535 63.100 -0.040 0.000 0.770 287 P CB 1.176 32.858 31.700 -0.030 0.000 0.867 288 G N 2.386 111.176 108.800 -0.017 0.000 2.194 288 G HA2 -0.184 3.776 3.960 0.001 0.000 0.236 288 G HA3 -0.184 3.776 3.960 0.001 0.000 0.236 288 G C -0.156 174.743 174.900 -0.003 0.000 0.987 288 G CA -0.445 44.650 45.100 -0.009 0.000 0.635 288 G HN 0.439 nan 8.290 nan 0.000 0.520 289 L N 0.401 121.629 121.223 0.009 0.000 2.331 289 L HA 0.864 5.205 4.340 0.001 0.000 0.275 289 L C 0.063 177.011 176.870 0.130 0.000 1.022 289 L CA -1.285 53.596 54.840 0.067 0.000 0.812 289 L CB 2.046 44.157 42.059 0.087 0.000 1.257 289 L HN -0.039 nan 8.230 nan 0.000 0.435 290 V N 2.399 122.383 119.914 0.118 0.000 2.876 290 V HA 0.478 4.598 4.120 0.001 0.000 0.312 290 V C -2.262 173.822 176.094 -0.018 0.000 1.085 290 V CA -1.828 60.476 62.300 0.006 0.000 0.945 290 V CB 3.111 34.710 31.823 -0.373 0.000 1.017 290 V HN 0.580 nan 8.190 nan 0.000 0.428 291 P HA 0.127 nan 4.420 nan 0.000 0.271 291 P C -0.490 176.571 177.300 -0.397 0.000 1.216 291 P CA 0.107 62.934 63.100 -0.455 0.000 0.771 291 P CB 0.615 32.104 31.700 -0.352 0.000 0.864 292 V N 5.188 124.777 119.914 -0.541 0.000 2.446 292 V HA -0.012 4.108 4.120 0.001 0.000 0.276 292 V C 0.982 176.755 176.094 -0.535 0.000 1.030 292 V CA 0.106 62.059 62.300 -0.578 0.000 1.033 292 V CB -0.623 30.730 31.823 -0.784 0.000 0.993 292 V HN 0.350 nan 8.190 nan 0.000 0.477 293 L N 5.785 126.666 121.223 -0.569 0.000 2.417 293 L HA 0.489 4.830 4.340 0.001 0.000 0.268 293 L C 0.838 177.494 176.870 -0.356 0.000 1.158 293 L CA 0.035 54.489 54.840 -0.644 0.000 0.819 293 L CB 1.188 42.408 42.059 -1.398 0.000 1.112 293 L HN 0.843 nan 8.230 nan 0.000 0.458 294 T N -1.814 112.613 114.554 -0.211 0.000 2.807 294 T HA 0.376 4.726 4.350 0.001 0.000 0.277 294 T C 1.082 175.818 174.700 0.061 0.000 1.006 294 T CA -0.111 61.977 62.100 -0.020 0.000 1.006 294 T CB 1.358 70.190 68.868 -0.060 0.000 1.274 294 T HN 0.588 nan 8.240 nan 0.000 0.569 295 G N -0.282 108.548 108.800 0.050 0.000 2.470 295 G HA2 -0.124 3.836 3.960 0.001 0.000 0.220 295 G HA3 -0.124 3.836 3.960 0.001 0.000 0.220 295 G C 1.467 176.305 174.900 -0.102 0.000 1.121 295 G CA 0.113 45.225 45.100 0.020 0.000 0.766 295 G HN 0.747 nan 8.290 nan 0.000 0.553 296 R N -0.031 120.332 120.500 -0.229 0.000 2.285 296 R HA -0.002 4.339 4.340 0.001 0.000 0.213 296 R C 1.615 177.694 176.300 -0.367 0.000 1.068 296 R CA 1.050 56.888 56.100 -0.436 0.000 1.004 296 R CB -0.172 29.563 30.300 -0.942 0.000 0.873 296 R HN 0.396 nan 8.270 nan 0.000 0.467 297 N N -0.089 118.471 118.700 -0.234 0.000 2.373 297 N HA -0.007 4.734 4.740 0.001 0.000 0.181 297 N C -0.334 174.998 175.510 -0.297 0.000 1.082 297 N CA 0.012 52.903 53.050 -0.264 0.000 0.885 297 N CB 0.344 38.601 38.487 -0.384 0.000 0.977 297 N HN -0.027 nan 8.380 nan 0.000 0.462 298 L N 1.029 122.165 121.223 -0.144 0.000 2.276 298 L HA 0.413 4.754 4.340 0.001 0.000 0.286 298 L C -0.693 175.980 176.870 -0.329 0.000 1.061 298 L CA -0.140 54.617 54.840 -0.138 0.000 0.807 298 L CB 0.692 42.747 42.059 -0.006 0.000 1.177 298 L HN -0.168 nan 8.230 nan 0.000 0.429 299 K N 4.868 124.966 120.400 -0.504 0.000 2.444 299 K HA 0.606 4.926 4.320 0.001 0.000 0.252 299 K C -2.604 173.786 176.600 -0.350 0.000 0.993 299 K CA -1.942 53.990 56.287 -0.591 0.000 0.847 299 K CB 1.573 33.268 32.500 -1.341 0.000 1.340 299 K HN 0.248 nan 8.250 nan 0.000 0.446 300 P HA 0.108 nan 4.420 nan 0.000 0.263 300 P C 0.137 177.505 177.300 0.114 0.000 1.276 300 P CA 0.675 63.765 63.100 -0.017 0.000 0.986 300 P CB 0.184 31.896 31.700 0.021 0.000 1.105 301 G N 1.692 110.547 108.800 0.091 0.000 2.176 301 G HA2 -0.137 3.824 3.960 0.001 0.000 0.232 301 G HA3 -0.137 3.824 3.960 0.001 0.000 0.232 301 G C -0.403 174.694 174.900 0.329 0.000 0.986 301 G CA -0.225 44.990 45.100 0.192 0.000 0.643 301 G HN 0.557 nan 8.290 nan 0.000 0.522 302 W N -0.861 120.451 121.300 0.021 0.000 3.066 302 W HA 0.717 5.377 4.660 0.000 0.000 0.330 302 W C -1.304 175.195 176.519 -0.032 0.000 1.253 302 W CA -1.188 56.169 57.345 0.020 0.000 1.187 302 W CB 0.829 30.302 29.460 0.021 0.000 1.434 302 W HN 0.424 nan 8.180 nan 0.000 0.572 303 V N 2.073 121.980 119.914 -0.012 0.000 2.495 303 V HA 0.156 4.276 4.120 0.001 0.000 0.298 303 V C -0.589 175.235 176.094 -0.450 0.000 1.031 303 V CA -0.263 61.775 62.300 -0.437 0.000 0.871 303 V CB 1.504 32.957 31.823 -0.617 0.000 0.988 303 V HN 0.485 nan 8.190 nan 0.000 0.432 304 D N 2.671 122.737 120.400 -0.556 0.000 2.339 304 D HA 0.224 4.864 4.640 0.001 0.000 0.241 304 D C 0.039 176.106 176.300 -0.387 0.000 1.183 304 D CA 0.081 53.934 54.000 -0.245 0.000 0.859 304 D CB 0.771 41.465 40.800 -0.176 0.000 1.067 304 D HN 0.488 nan 8.370 nan 0.000 0.484 305 Y N 1.831 122.059 120.300 -0.120 0.000 2.482 305 Y HA 0.102 4.653 4.550 0.001 0.000 0.270 305 Y C 1.852 177.706 175.900 -0.076 0.000 1.152 305 Y CA -0.060 57.886 58.100 -0.257 0.000 1.292 305 Y CB 0.434 38.656 38.460 -0.398 0.000 1.070 305 Y HN 0.372 nan 8.280 nan 0.000 0.528 306 E N 0.769 121.030 120.200 0.101 0.000 2.042 306 E HA -0.043 4.308 4.350 0.001 0.000 0.189 306 E C 0.598 177.217 176.600 0.032 0.000 0.974 306 E CA 0.551 57.008 56.400 0.095 0.000 0.806 306 E CB -0.082 29.677 29.700 0.098 0.000 0.769 306 E HN 0.203 nan 8.360 nan 0.000 0.451 307 K N 2.071 122.445 120.400 -0.044 0.000 2.205 307 K HA 0.079 4.400 4.320 0.001 0.000 0.279 307 K C -0.085 176.313 176.600 -0.337 0.000 1.027 307 K CA -0.307 55.873 56.287 -0.179 0.000 0.932 307 K CB 0.630 32.986 32.500 -0.239 0.000 1.032 307 K HN -0.122 nan 8.250 nan 0.000 0.466 308 N N 3.049 121.529 118.700 -0.367 0.000 2.422 308 N HA 0.074 4.814 4.740 0.001 0.000 0.266 308 N C -0.476 174.719 175.510 -0.525 0.000 1.007 308 N CA -0.001 52.770 53.050 -0.465 0.000 0.941 308 N CB 0.772 38.907 38.487 -0.586 0.000 1.115 308 N HN 0.665 nan 8.380 nan 0.000 0.492 309 H N 0.267 119.182 119.070 -0.258 0.000 2.885 309 H HA 0.090 4.647 4.556 0.001 0.000 0.260 309 H C 1.602 176.809 175.328 -0.203 0.000 0.985 309 H CA 0.441 56.376 56.048 -0.187 0.000 1.210 309 H CB 0.769 30.437 29.762 -0.156 0.000 1.466 309 H HN 0.641 nan 8.280 nan 0.000 0.493 310 S N -0.699 114.881 115.700 -0.201 0.000 2.478 310 S HA 0.108 4.578 4.470 0.001 0.000 0.222 310 S C 1.975 176.439 174.600 -0.227 0.000 1.008 310 S CA 0.433 58.500 58.200 -0.223 0.000 0.928 310 S CB 0.072 63.073 63.200 -0.332 0.000 0.781 310 S HN 0.548 nan 8.310 nan 0.000 0.518 311 G N 0.920 109.523 108.800 -0.328 0.000 2.153 311 G HA2 -0.225 3.735 3.960 0.001 0.000 0.252 311 G HA3 -0.225 3.735 3.960 0.001 0.000 0.252 311 G C -0.177 174.607 174.900 -0.194 0.000 0.994 311 G CA 0.635 45.606 45.100 -0.216 0.000 0.698 311 G HN 0.566 nan 8.290 nan 0.000 0.521 312 L N -0.920 120.037 121.223 -0.444 0.000 2.381 312 L HA 0.748 5.088 4.340 0.001 0.000 0.268 312 L C -0.219 176.406 176.870 -0.409 0.000 0.997 312 L CA -1.218 53.490 54.840 -0.221 0.000 0.818 312 L CB 1.687 43.630 42.059 -0.193 0.000 1.310 312 L HN 0.113 nan 8.230 nan 0.000 0.416 313 W N 4.637 125.898 121.300 -0.065 0.000 2.915 313 W HA 0.686 5.347 4.660 0.001 0.000 0.337 313 W C -0.438 176.055 176.519 -0.043 0.000 1.102 313 W CA -0.637 56.665 57.345 -0.071 0.000 1.224 313 W CB 2.344 31.773 29.460 -0.053 0.000 1.416 313 W HN 0.438 nan 8.180 nan 0.000 0.503 314 M N 1.870 121.549 119.600 0.132 0.000 2.644 314 M HA 0.568 5.048 4.480 0.001 0.000 0.273 314 M C -3.022 173.288 176.300 0.018 0.000 1.253 314 M CA -2.138 53.211 55.300 0.082 0.000 0.852 314 M CB 2.463 35.100 32.600 0.062 0.000 1.708 314 M HN -0.137 nan 8.290 nan 0.000 0.471 315 P HA 0.153 nan 4.420 nan 0.000 0.267 315 P C -0.339 176.920 177.300 -0.069 0.000 1.205 315 P CA -0.083 63.006 63.100 -0.019 0.000 0.765 315 P CB 0.776 32.481 31.700 0.009 0.000 0.828 316 K N 3.208 123.533 120.400 -0.125 0.000 2.103 316 K HA -0.219 4.102 4.320 0.001 0.000 0.207 316 K C 1.494 178.050 176.600 -0.073 0.000 1.048 316 K CA 1.867 58.049 56.287 -0.175 0.000 0.930 316 K CB 0.013 32.365 32.500 -0.246 0.000 0.716 316 K HN 0.528 nan 8.250 nan 0.000 0.444 317 E N -0.077 120.101 120.200 -0.036 0.000 2.267 317 E HA -0.195 4.156 4.350 0.001 0.000 0.197 317 E C 1.463 178.067 176.600 0.007 0.000 0.998 317 E CA 1.103 57.501 56.400 -0.002 0.000 0.830 317 E CB -0.088 29.615 29.700 0.005 0.000 0.751 317 E HN 0.222 nan 8.360 nan 0.000 0.491 318 R N 0.048 120.547 120.500 -0.002 0.000 2.334 318 R HA 0.319 4.659 4.340 0.001 0.000 0.216 318 R C 1.946 178.217 176.300 -0.048 0.000 0.905 318 R CA 0.464 56.566 56.100 0.004 0.000 1.064 318 R CB 0.294 30.625 30.300 0.051 0.000 1.046 318 R HN 0.226 nan 8.270 nan 0.000 0.508 319 A N 2.604 125.406 122.820 -0.031 0.000 1.978 319 A HA -0.226 4.095 4.320 0.001 0.000 0.220 319 A C 1.978 179.622 177.584 0.100 0.000 1.170 319 A CA 1.498 53.540 52.037 0.007 0.000 0.636 319 A CB -0.285 18.713 19.000 -0.003 0.000 0.810 319 A HN 0.349 nan 8.150 nan 0.000 0.448 320 K N 0.007 120.440 120.400 0.056 0.000 2.360 320 K HA -0.125 4.196 4.320 0.001 0.000 0.201 320 K C 1.209 177.766 176.600 -0.072 0.000 1.046 320 K CA 1.517 57.802 56.287 -0.004 0.000 0.945 320 K CB -0.268 32.234 32.500 0.003 0.000 0.750 320 K HN 0.585 nan 8.250 nan 0.000 0.464 321 E N 0.946 121.114 120.200 -0.054 0.000 2.208 321 E HA -0.086 4.265 4.350 0.001 0.000 0.193 321 E C 1.801 178.337 176.600 -0.107 0.000 0.988 321 E CA 0.699 57.075 56.400 -0.040 0.000 0.828 321 E CB -0.083 29.671 29.700 0.091 0.000 0.763 321 E HN 0.263 nan 8.360 nan 0.000 0.478 322 L N -0.013 121.096 121.223 -0.190 0.000 2.049 322 L HA -0.004 4.337 4.340 0.001 0.000 0.203 322 L C 0.827 177.493 176.870 -0.341 0.000 1.074 322 L CA 0.914 55.598 54.840 -0.260 0.000 0.749 322 L CB 0.243 42.080 42.059 -0.370 0.000 0.907 322 L HN -0.106 nan 8.230 nan 0.000 0.439 323 R N 0.048 120.230 120.500 -0.530 0.000 2.564 323 R HA 0.138 4.478 4.340 0.001 0.000 0.284 323 R C -0.141 175.618 176.300 -0.902 0.000 1.031 323 R CA -0.410 55.060 56.100 -1.050 0.000 0.904 323 R CB 1.377 30.373 30.300 -2.173 0.000 1.199 323 R HN 0.085 nan 8.270 nan 0.000 0.443 324 D N 2.419 122.448 120.400 -0.618 0.000 2.178 324 D HA -0.188 4.453 4.640 0.001 0.000 0.201 324 D C 1.323 177.463 176.300 -0.267 0.000 0.980 324 D CA 1.292 55.101 54.000 -0.319 0.000 0.842 324 D CB -0.251 40.450 40.800 -0.164 0.000 0.948 324 D HN 0.546 nan 8.370 nan 0.000 0.472 325 F N -0.691 119.102 119.950 -0.261 0.000 2.699 325 F HA 0.104 4.632 4.527 0.001 0.000 0.298 325 F C 1.434 177.146 175.800 -0.147 0.000 1.154 325 F CA -0.337 57.504 58.000 -0.266 0.000 1.457 325 F CB -1.103 37.652 39.000 -0.408 0.000 1.106 325 F HN -0.219 nan 8.300 nan 0.000 0.585 326 Y N 1.281 121.521 120.300 -0.100 0.000 2.497 326 Y HA 0.157 4.708 4.550 0.001 0.000 0.292 326 Y C 2.457 178.451 175.900 0.156 0.000 1.137 326 Y CA -0.015 58.158 58.100 0.122 0.000 1.285 326 Y CB -1.140 37.328 38.460 0.014 0.000 0.991 326 Y HN 0.286 nan 8.280 nan 0.000 0.556 327 A N -1.267 121.686 122.820 0.221 0.000 2.169 327 A HA 0.012 4.333 4.320 0.001 0.000 0.212 327 A C 1.251 178.953 177.584 0.197 0.000 1.153 327 A CA 0.970 53.110 52.037 0.172 0.000 0.756 327 A CB -0.351 18.708 19.000 0.097 0.000 0.813 327 A HN 0.213 nan 8.150 nan 0.000 0.471 328 T N 1.125 115.825 114.554 0.244 0.000 2.779 328 T HA 0.517 4.867 4.350 0.001 0.000 0.280 328 T C -3.099 171.792 174.700 0.318 0.000 0.987 328 T CA -2.249 59.994 62.100 0.239 0.000 0.966 328 T CB 0.953 69.934 68.868 0.189 0.000 0.933 328 T HN -0.067 nan 8.240 nan 0.000 0.442 329 P HA 0.167 nan 4.420 nan 0.000 0.264 329 P C -0.763 176.358 177.300 -0.299 0.000 1.193 329 P CA 0.294 63.406 63.100 0.021 0.000 0.763 329 P CB 0.173 31.993 31.700 0.199 0.000 0.810 330 H N 1.231 119.754 119.070 -0.910 0.000 2.981 330 H HA 0.363 4.920 4.556 0.000 0.000 0.327 330 H C -1.502 173.153 175.328 -1.122 0.000 1.342 330 H CA -1.210 54.172 56.048 -1.109 0.000 1.123 330 H CB 0.353 29.900 29.762 -0.358 0.000 1.851 330 H HN 0.180 nan 8.280 nan 0.000 0.531 331 L N 1.882 122.743 121.223 -0.604 0.000 2.360 331 L HA 0.350 4.691 4.340 0.001 0.000 0.276 331 L C -0.871 175.809 176.870 -0.317 0.000 1.121 331 L CA -0.090 54.595 54.840 -0.259 0.000 0.845 331 L CB 0.393 42.413 42.059 -0.065 0.000 1.143 331 L HN 0.438 nan 8.230 nan 0.000 0.452 332 V N 5.952 125.619 119.914 -0.411 0.000 2.459 332 V HA 0.597 4.717 4.120 0.001 0.000 0.295 332 V C -0.260 175.584 176.094 -0.418 0.000 1.029 332 V CA -0.702 61.238 62.300 -0.601 0.000 0.874 332 V CB 1.710 32.952 31.823 -0.968 0.000 0.985 332 V HN 0.560 nan 8.190 nan 0.000 0.438 333 V N 3.041 122.741 119.914 -0.357 0.000 2.604 333 V HA 0.752 4.872 4.120 0.001 0.000 0.305 333 V C 0.446 176.521 176.094 -0.032 0.000 1.043 333 V CA -0.752 61.455 62.300 -0.155 0.000 0.888 333 V CB 1.933 33.695 31.823 -0.102 0.000 0.995 333 V HN 1.043 nan 8.190 nan 0.000 0.429 334 A N 1.638 124.451 122.820 -0.012 0.000 2.407 334 A HA 0.390 4.710 4.320 0.001 0.000 0.248 334 A C 0.559 178.294 177.584 0.252 0.000 1.082 334 A CA 0.319 52.377 52.037 0.036 0.000 0.785 334 A CB -0.048 18.947 19.000 -0.009 0.000 1.020 334 A HN 1.126 nan 8.150 nan 0.000 0.489 335 H N 0.586 119.709 119.070 0.088 0.000 2.681 335 H HA 0.194 4.750 4.556 0.001 0.000 0.268 335 H C 0.209 175.721 175.328 0.306 0.000 0.967 335 H CA 1.521 57.696 56.048 0.211 0.000 1.233 335 H CB 0.727 30.473 29.762 -0.026 0.000 1.445 335 H HN 0.474 nan 8.280 nan 0.000 0.494 336 T N 1.107 115.731 114.554 0.116 0.000 3.532 336 T HA 0.287 4.637 4.350 0.001 0.000 0.241 336 T C 0.016 174.684 174.700 -0.054 0.000 1.238 336 T CA -0.450 61.657 62.100 0.013 0.000 1.405 336 T CB 0.092 69.014 68.868 0.090 0.000 0.971 336 T HN 0.223 nan 8.240 nan 0.000 0.640 337 K N 1.399 121.765 120.400 -0.058 0.000 2.676 337 K HA 0.484 4.805 4.320 0.001 0.000 0.205 337 K C 0.972 177.525 176.600 -0.080 0.000 1.084 337 K CA -0.536 55.710 56.287 -0.068 0.000 1.057 337 K CB 1.225 33.694 32.500 -0.053 0.000 0.791 337 K HN 0.562 nan 8.250 nan 0.000 0.484 338 G N 0.830 109.560 108.800 -0.116 0.000 2.725 338 G HA2 -0.247 3.713 3.960 0.001 0.000 0.220 338 G HA3 -0.247 3.713 3.960 0.001 0.000 0.220 338 G C -0.330 174.525 174.900 -0.074 0.000 1.357 338 G CA -0.814 44.221 45.100 -0.108 0.000 0.866 338 G HN 0.076 nan 8.290 nan 0.000 0.548 339 T N 2.194 116.707 114.554 -0.067 0.000 3.176 339 T HA 0.533 4.883 4.350 0.001 0.000 0.301 339 T C 0.743 175.418 174.700 -0.042 0.000 1.115 339 T CA 0.817 62.887 62.100 -0.050 0.000 1.027 339 T CB -0.547 68.290 68.868 -0.052 0.000 1.063 339 T HN 0.804 nan 8.240 nan 0.000 0.669 340 R N -0.200 120.279 120.500 -0.035 0.000 2.810 340 R HA 0.769 5.110 4.340 0.001 0.000 0.266 340 R C -1.965 174.314 176.300 -0.036 0.000 1.061 340 R CA -1.076 55.001 56.100 -0.039 0.000 0.943 340 R CB 1.125 31.396 30.300 -0.048 0.000 1.237 340 R HN 0.085 nan 8.270 nan 0.000 0.459 341 V N 1.494 121.373 119.914 -0.059 0.000 2.349 341 V HA 0.399 4.519 4.120 0.001 0.000 0.284 341 V C -0.830 175.213 176.094 -0.085 0.000 1.014 341 V CA -0.720 61.535 62.300 -0.075 0.000 0.826 341 V CB 1.516 33.271 31.823 -0.114 0.000 1.009 341 V HN 0.507 nan 8.190 nan 0.000 0.431 342 V N 4.140 124.012 119.914 -0.070 0.000 2.378 342 V HA 0.900 5.021 4.120 0.001 0.000 0.288 342 V C 0.257 176.295 176.094 -0.094 0.000 1.016 342 V CA -0.303 61.949 62.300 -0.080 0.000 0.840 342 V CB 1.565 33.341 31.823 -0.078 0.000 0.994 342 V HN 0.961 nan 8.190 nan 0.000 0.431 343 A N 3.959 126.724 122.820 -0.092 0.000 2.454 343 A HA 1.073 5.393 4.320 0.001 0.000 0.302 343 A C -0.469 177.083 177.584 -0.055 0.000 1.079 343 A CA -0.192 51.788 52.037 -0.095 0.000 0.731 343 A CB 2.130 21.076 19.000 -0.089 0.000 1.299 343 A HN 1.671 nan 8.150 nan 0.000 0.413 344 A N 0.511 123.299 122.820 -0.052 0.000 2.605 344 A HA 0.615 4.935 4.320 0.001 0.000 0.294 344 A C -1.600 176.039 177.584 0.092 0.000 1.062 344 A CA -0.321 51.741 52.037 0.042 0.000 0.682 344 A CB 0.757 19.762 19.000 0.009 0.000 1.278 344 A HN 1.346 nan 8.150 nan 0.000 0.410 345 W N 2.514 123.813 121.300 -0.001 0.000 2.331 345 W HA 0.379 5.040 4.660 0.000 0.000 0.306 345 W C -1.082 175.477 176.519 0.067 0.000 1.162 345 W CA 0.141 57.495 57.345 0.015 0.000 1.232 345 W CB 1.353 30.849 29.460 0.060 0.000 1.235 345 W HN 0.799 nan 8.180 nan 0.000 0.479 346 D N 4.648 124.898 120.400 -0.250 0.000 2.453 346 D HA -0.031 4.609 4.640 0.001 0.000 0.223 346 D C 1.115 177.401 176.300 -0.024 0.000 1.183 346 D CA 0.406 54.401 54.000 -0.010 0.000 0.933 346 D CB 0.570 41.364 40.800 -0.010 0.000 1.038 346 D HN 0.517 nan 8.370 nan 0.000 0.513 347 E N 2.918 123.267 120.200 0.249 0.000 2.150 347 E HA -0.144 4.206 4.350 0.001 0.000 0.193 347 E C 1.249 177.960 176.600 0.185 0.000 0.985 347 E CA 0.645 57.227 56.400 0.303 0.000 0.814 347 E CB 0.382 30.288 29.700 0.344 0.000 0.752 347 E HN 0.473 nan 8.360 nan 0.000 0.466 348 R N -0.392 120.184 120.500 0.125 0.000 2.161 348 R HA 0.130 4.470 4.340 0.001 0.000 0.213 348 R C 0.718 177.152 176.300 0.223 0.000 1.055 348 R CA 0.635 56.767 56.100 0.054 0.000 0.996 348 R CB 0.122 30.219 30.300 -0.338 0.000 0.901 348 R HN 0.087 nan 8.270 nan 0.000 0.456 349 A N 1.015 124.013 122.820 0.298 0.000 2.381 349 A HA -0.211 4.109 4.320 0.001 0.000 0.283 349 A C -0.757 177.087 177.584 0.434 0.000 1.419 349 A CA 0.307 52.567 52.037 0.372 0.000 0.727 349 A CB -2.028 17.149 19.000 0.295 0.000 1.152 349 A HN 0.313 nan 8.150 nan 0.000 0.366 350 Y N 1.102 121.530 120.300 0.213 0.000 2.374 350 Y HA 0.592 5.143 4.550 0.001 0.000 0.322 350 Y C -1.620 174.201 175.900 -0.132 0.000 1.275 350 Y CA -1.741 56.365 58.100 0.010 0.000 1.307 350 Y CB 0.778 39.181 38.460 -0.096 0.000 1.282 350 Y HN 0.431 nan 8.280 nan 0.000 0.509 351 P HA 0.035 nan 4.420 nan 0.000 0.276 351 P C -1.364 175.614 177.300 -0.536 0.000 1.230 351 P CA -0.064 62.689 63.100 -0.578 0.000 0.776 351 P CB 0.578 32.113 31.700 -0.274 0.000 0.888 352 W N 2.258 123.153 121.300 -0.675 0.000 2.702 352 W HA 0.474 5.134 4.660 0.001 0.000 0.331 352 W C 1.486 177.966 176.519 -0.064 0.000 1.049 352 W CA -0.514 56.703 57.345 -0.213 0.000 1.230 352 W CB 1.989 31.506 29.460 0.094 0.000 1.408 352 W HN 0.329 nan 8.180 nan 0.000 0.492 353 R N 0.605 121.128 120.500 0.039 0.000 2.280 353 R HA 0.106 4.446 4.340 0.001 0.000 0.195 353 R C -0.207 176.224 176.300 0.219 0.000 0.935 353 R CA 0.872 57.006 56.100 0.057 0.000 1.033 353 R CB 0.466 30.632 30.300 -0.223 0.000 0.964 353 R HN 0.400 nan 8.270 nan 0.000 0.489 354 E N 0.318 120.668 120.200 0.249 0.000 2.446 354 E HA 0.294 4.645 4.350 0.001 0.000 0.276 354 E C -0.690 175.832 176.600 -0.129 0.000 0.969 354 E CA -0.662 55.793 56.400 0.092 0.000 0.800 354 E CB 1.616 31.391 29.700 0.125 0.000 1.341 354 E HN 0.030 nan 8.360 nan 0.000 0.460 355 E N -0.715 119.083 120.200 -0.670 0.000 7.861 355 E HA -0.140 4.210 4.350 0.001 0.000 0.549 355 E C -0.988 174.795 176.600 -1.361 0.000 1.413 355 E CA 0.170 56.043 56.400 -0.879 0.000 2.757 355 E CB -1.018 28.307 29.700 -0.624 0.000 0.918 355 E HN 0.351 nan 8.360 nan 0.000 0.262 356 F N 0.907 120.433 119.950 -0.708 0.000 2.375 356 F HA 0.360 4.888 4.527 0.001 0.000 0.333 356 F C 1.176 176.465 175.800 -0.852 0.000 1.104 356 F CA 0.110 57.793 58.000 -0.528 0.000 1.149 356 F CB 0.728 39.594 39.000 -0.223 0.000 1.190 356 F HN 0.135 nan 8.300 nan 0.000 0.533 357 H N 3.876 122.825 119.070 -0.202 0.000 2.727 357 H HA 0.388 4.945 4.556 0.001 0.000 0.330 357 H C -1.280 173.811 175.328 -0.394 0.000 0.986 357 H CA -0.711 55.114 56.048 -0.373 0.000 1.251 357 H CB 1.779 31.118 29.762 -0.704 0.000 1.493 357 H HN 0.346 nan 8.280 nan 0.000 0.515 358 L N 4.743 125.852 121.223 -0.190 0.000 2.287 358 L HA 0.338 4.678 4.340 0.001 0.000 0.287 358 L C -0.325 176.582 176.870 0.061 0.000 1.022 358 L CA -0.176 54.575 54.840 -0.147 0.000 0.814 358 L CB 1.231 43.004 42.059 -0.477 0.000 1.217 358 L HN 0.370 nan 8.230 nan 0.000 0.420 359 L N 5.519 126.870 121.223 0.213 0.000 2.325 359 L HA 0.587 4.927 4.340 0.001 0.000 0.281 359 L C -2.267 174.812 176.870 0.350 0.000 1.004 359 L CA -1.974 53.021 54.840 0.258 0.000 0.823 359 L CB 1.621 43.744 42.059 0.106 0.000 1.236 359 L HN 0.350 nan 8.230 nan 0.000 0.415 360 P HA 0.115 nan 4.420 nan 0.000 0.271 360 P C -0.793 176.428 177.300 -0.132 0.000 1.216 360 P CA -0.184 62.818 63.100 -0.163 0.000 0.776 360 P CB 0.784 32.406 31.700 -0.131 0.000 0.881 361 K N 1.377 121.579 120.400 -0.329 0.000 2.138 361 K HA 0.105 4.426 4.320 0.001 0.000 0.251 361 K C 0.492 176.988 176.600 -0.174 0.000 1.015 361 K CA -0.497 55.632 56.287 -0.263 0.000 0.917 361 K CB 0.344 32.635 32.500 -0.349 0.000 1.021 361 K HN 0.457 nan 8.250 nan 0.000 0.485 362 E N 0.143 120.317 120.200 -0.044 0.000 2.608 362 E HA -0.116 4.234 4.350 0.001 0.000 0.259 362 E C 0.628 177.134 176.600 -0.157 0.000 0.951 362 E CA 1.248 57.621 56.400 -0.045 0.000 0.945 362 E CB -0.085 29.632 29.700 0.028 0.000 0.916 362 E HN 0.712 nan 8.360 nan 0.000 0.477 363 G N 2.736 111.443 108.800 -0.156 0.000 2.162 363 G HA2 -0.272 3.688 3.960 0.001 0.000 0.260 363 G HA3 -0.272 3.688 3.960 0.001 0.000 0.260 363 G C 0.121 174.804 174.900 -0.363 0.000 0.976 363 G CA 0.174 45.154 45.100 -0.200 0.000 0.655 363 G HN 0.517 nan 8.290 nan 0.000 0.533 364 V N 0.955 120.605 119.914 -0.441 0.000 2.488 364 V HA 0.467 4.588 4.120 0.001 0.000 0.277 364 V C 0.972 176.924 176.094 -0.237 0.000 1.046 364 V CA -0.284 61.739 62.300 -0.463 0.000 0.986 364 V CB 1.361 32.856 31.823 -0.547 0.000 0.989 364 V HN 0.446 nan 8.190 nan 0.000 0.475 365 R N 3.868 124.270 120.500 -0.164 0.000 2.368 365 R HA 0.631 4.972 4.340 0.001 0.000 0.302 365 R C -1.351 174.945 176.300 -0.007 0.000 1.002 365 R CA -0.633 55.435 56.100 -0.053 0.000 0.929 365 R CB 1.019 31.318 30.300 -0.002 0.000 1.073 365 R HN 0.491 nan 8.270 nan 0.000 0.464 366 L N 2.349 123.584 121.223 0.020 0.000 2.341 366 L HA 0.349 4.689 4.340 0.001 0.000 0.267 366 L C -0.805 176.096 176.870 0.052 0.000 1.009 366 L CA -0.437 54.444 54.840 0.067 0.000 0.819 366 L CB 1.901 44.023 42.059 0.105 0.000 1.323 366 L HN 0.586 nan 8.230 nan 0.000 0.425 367 D N 2.903 123.354 120.400 0.085 0.000 2.458 367 D HA 0.362 5.003 4.640 0.001 0.000 0.258 367 D C -2.009 174.303 176.300 0.020 0.000 1.134 367 D CA -1.912 52.115 54.000 0.045 0.000 0.915 367 D CB 1.750 42.606 40.800 0.093 0.000 1.028 367 D HN 0.149 nan 8.370 nan 0.000 0.508 368 P HA -0.127 nan 4.420 nan 0.000 0.215 368 P C 1.311 178.537 177.300 -0.122 0.000 1.157 368 P CA 1.023 63.990 63.100 -0.221 0.000 0.868 368 P CB 0.348 31.556 31.700 -0.819 0.000 0.788 369 S N -0.183 115.439 115.700 -0.129 0.000 2.382 369 S HA -0.145 4.325 4.470 0.001 0.000 0.228 369 S C 2.085 176.681 174.600 -0.007 0.000 1.027 369 S CA 1.782 59.951 58.200 -0.052 0.000 0.991 369 S CB -1.138 62.035 63.200 -0.044 0.000 0.823 369 S HN 0.347 nan 8.310 nan 0.000 0.469 370 S N 1.619 117.328 115.700 0.015 0.000 2.425 370 S HA 0.183 4.654 4.470 0.001 0.000 0.225 370 S C 1.767 176.291 174.600 -0.127 0.000 1.024 370 S CA 0.095 58.307 58.200 0.021 0.000 0.951 370 S CB -0.594 62.718 63.200 0.188 0.000 0.796 370 S HN 0.397 nan 8.310 nan 0.000 0.498 371 L N 1.557 122.757 121.223 -0.037 0.000 2.046 371 L HA -0.062 4.279 4.340 0.001 0.000 0.208 371 L C 2.474 179.344 176.870 -0.000 0.000 1.077 371 L CA 1.526 56.360 54.840 -0.009 0.000 0.747 371 L CB -0.571 41.597 42.059 0.182 0.000 0.896 371 L HN 0.267 nan 8.230 nan 0.000 0.432 372 V N -0.136 119.789 119.914 0.018 0.000 2.287 372 V HA -0.355 3.765 4.120 0.001 0.000 0.248 372 V C 2.483 178.567 176.094 -0.015 0.000 1.053 372 V CA 2.130 64.442 62.300 0.020 0.000 1.027 372 V CB -0.578 31.285 31.823 0.067 0.000 0.646 372 V HN 0.574 nan 8.190 nan 0.000 0.447 373 Q N -1.017 118.773 119.800 -0.018 0.000 2.050 373 Q HA -0.264 4.076 4.340 0.001 0.000 0.202 373 Q C 2.219 178.207 176.000 -0.021 0.000 0.980 373 Q CA 2.312 58.108 55.803 -0.012 0.000 0.840 373 Q CB -0.263 28.476 28.738 0.003 0.000 0.898 373 Q HN 0.832 nan 8.270 nan 0.000 0.424 374 W N 0.884 121.992 121.300 -0.321 0.000 2.333 374 W HA -0.248 4.412 4.660 0.000 0.000 0.316 374 W C 1.485 177.903 176.519 -0.168 0.000 1.215 374 W CA 1.144 58.279 57.345 -0.349 0.000 1.278 374 W CB -0.313 28.679 29.460 -0.781 0.000 1.154 374 W HN 0.208 nan 8.180 nan 0.000 0.486 375 L N 1.165 122.186 121.223 -0.337 0.000 2.079 375 L HA -0.280 4.060 4.340 0.001 0.000 0.210 375 L C 2.026 178.709 176.870 -0.313 0.000 1.081 375 L CA 1.389 55.991 54.840 -0.396 0.000 0.752 375 L CB -1.066 40.880 42.059 -0.188 0.000 0.896 375 L HN 0.011 nan 8.230 nan 0.000 0.433 376 N N -0.093 118.490 118.700 -0.194 0.000 2.521 376 N HA -0.030 4.711 4.740 0.001 0.000 0.188 376 N C 0.769 176.198 175.510 -0.134 0.000 1.146 376 N CA 0.381 53.352 53.050 -0.131 0.000 0.893 376 N CB -0.049 38.404 38.487 -0.057 0.000 0.975 376 N HN 0.334 nan 8.380 nan 0.000 0.451 377 S N 0.141 115.721 115.700 -0.201 0.000 2.593 377 S HA 0.137 4.607 4.470 0.001 0.000 0.269 377 S C 1.179 175.696 174.600 -0.138 0.000 1.334 377 S CA -0.474 57.646 58.200 -0.134 0.000 1.015 377 S CB 1.464 64.606 63.200 -0.098 0.000 0.912 377 S HN 0.108 nan 8.310 nan 0.000 0.541 378 E N 1.582 121.747 120.200 -0.058 0.000 2.118 378 E HA -0.146 4.205 4.350 0.001 0.000 0.195 378 E C 2.323 178.895 176.600 -0.046 0.000 0.992 378 E CA 1.370 57.746 56.400 -0.040 0.000 0.804 378 E CB -0.493 29.205 29.700 -0.003 0.000 0.741 378 E HN 0.837 nan 8.360 nan 0.000 0.458 379 A N 0.788 123.587 122.820 -0.035 0.000 1.933 379 A HA -0.209 4.111 4.320 0.001 0.000 0.218 379 A C 2.102 179.625 177.584 -0.101 0.000 1.175 379 A CA 1.541 53.574 52.037 -0.006 0.000 0.628 379 A CB -0.367 18.709 19.000 0.126 0.000 0.814 379 A HN 0.202 nan 8.150 nan 0.000 0.444 380 M N -0.658 118.749 119.600 -0.322 0.000 2.200 380 M HA -0.091 4.390 4.480 0.001 0.000 0.265 380 M C 1.928 178.154 176.300 -0.123 0.000 1.066 380 M CA 1.502 56.586 55.300 -0.359 0.000 1.127 380 M CB -0.414 31.778 32.600 -0.680 0.000 1.379 380 M HN 0.368 nan 8.290 nan 0.000 0.420 381 Q N 0.192 119.924 119.800 -0.113 0.000 2.079 381 Q HA -0.177 4.164 4.340 0.001 0.000 0.200 381 Q C 2.140 178.121 176.000 -0.032 0.000 0.974 381 Q CA 1.580 57.345 55.803 -0.063 0.000 0.840 381 Q CB -0.845 27.855 28.738 -0.064 0.000 0.898 381 Q HN 0.622 nan 8.270 nan 0.000 0.430 382 K N 0.014 120.404 120.400 -0.016 0.000 2.097 382 K HA -0.215 4.106 4.320 0.001 0.000 0.205 382 K C 2.037 178.646 176.600 0.016 0.000 1.050 382 K CA 1.292 57.576 56.287 -0.004 0.000 0.938 382 K CB -0.131 32.377 32.500 0.014 0.000 0.718 382 K HN 0.188 nan 8.250 nan 0.000 0.442 383 H N 0.716 119.763 119.070 -0.039 0.000 2.289 383 H HA -0.146 4.410 4.556 0.001 0.000 0.296 383 H C 1.834 177.149 175.328 -0.022 0.000 1.091 383 H CA 2.829 58.865 56.048 -0.019 0.000 1.274 383 H CB -0.255 29.503 29.762 -0.008 0.000 1.364 383 H HN 0.118 nan 8.280 nan 0.000 0.490 384 V N -1.519 118.375 119.914 -0.032 0.000 2.548 384 V HA -0.043 4.077 4.120 0.001 0.000 0.249 384 V C 2.440 178.511 176.094 -0.037 0.000 1.055 384 V CA 1.729 64.043 62.300 0.022 0.000 1.065 384 V CB -0.558 31.343 31.823 0.131 0.000 0.681 384 V HN 0.208 nan 8.190 nan 0.000 0.462 385 R N 0.647 121.092 120.500 -0.092 0.000 2.081 385 R HA -0.079 4.261 4.340 0.001 0.000 0.235 385 R C 2.543 178.696 176.300 -0.245 0.000 1.131 385 R CA 2.200 58.210 56.100 -0.149 0.000 0.960 385 R CB -0.783 29.447 30.300 -0.117 0.000 0.856 385 R HN 0.618 nan 8.270 nan 0.000 0.436 386 T N 1.236 115.656 114.554 -0.223 0.000 2.652 386 T HA -0.134 4.216 4.350 0.001 0.000 0.267 386 T C 1.802 176.297 174.700 -0.341 0.000 1.039 386 T CA 1.175 63.131 62.100 -0.239 0.000 1.153 386 T CB -0.177 68.619 68.868 -0.119 0.000 0.863 386 T HN 0.122 nan 8.240 nan 0.000 0.428 387 L N -0.933 120.006 121.223 -0.474 0.000 2.056 387 L HA -0.054 4.287 4.340 0.001 0.000 0.207 387 L C 1.808 178.175 176.870 -0.839 0.000 1.078 387 L CA 1.457 55.850 54.840 -0.744 0.000 0.749 387 L CB -0.222 41.084 42.059 -1.255 0.000 0.901 387 L HN 0.349 nan 8.230 nan 0.000 0.433 388 Y N -2.034 118.024 120.300 -0.402 0.000 2.500 388 Y HA 0.238 4.789 4.550 0.001 0.000 0.246 388 Y C 1.336 176.542 175.900 -1.156 0.000 1.146 388 Y CA -0.952 56.740 58.100 -0.681 0.000 1.230 388 Y CB 0.072 38.337 38.460 -0.324 0.000 1.214 388 Y HN -0.030 nan 8.280 nan 0.000 0.526 389 R N 0.939 120.997 120.500 -0.736 0.000 3.614 389 R HA -0.291 4.050 4.340 0.001 0.000 0.542 389 R C 0.025 176.084 176.300 -0.402 0.000 0.241 389 R CA 2.075 57.791 56.100 -0.641 0.000 1.684 389 R CB -1.315 28.442 30.300 -0.904 0.000 0.889 389 R HN 0.426 nan 8.270 nan 0.000 0.611 390 D N -0.094 120.146 120.400 -0.267 0.000 2.696 390 D HA 0.126 4.767 4.640 0.001 0.000 0.269 390 D C 0.817 177.194 176.300 0.129 0.000 1.319 390 D CA -0.202 53.771 54.000 -0.045 0.000 0.826 390 D CB -0.099 40.716 40.800 0.026 0.000 1.086 390 D HN 0.206 nan 8.370 nan 0.000 0.481 391 F N 1.475 121.471 119.950 0.078 0.000 2.120 391 F HA -0.066 4.461 4.527 0.001 0.000 0.300 391 F C 1.494 177.316 175.800 0.037 0.000 1.095 391 F CA 0.466 58.506 58.000 0.067 0.000 1.249 391 F CB -0.828 38.201 39.000 0.048 0.000 0.995 391 F HN 0.065 nan 8.300 nan 0.000 0.480 392 V N -4.045 115.995 119.914 0.209 0.000 3.007 392 V HA 0.488 4.608 4.120 0.001 0.000 0.311 392 V C -2.503 173.591 176.094 -0.000 0.000 1.120 392 V CA -1.868 60.509 62.300 0.128 0.000 0.980 392 V CB 2.061 34.004 31.823 0.199 0.000 1.033 392 V HN -0.179 nan 8.190 nan 0.000 0.429 393 P HA 0.327 nan 4.420 nan 0.000 0.243 393 P C -0.540 176.406 177.300 -0.590 0.000 1.668 393 P CA 0.519 63.418 63.100 -0.336 0.000 0.898 393 P CB -0.721 30.755 31.700 -0.374 0.000 1.637 394 H N -1.391 117.618 119.070 -0.103 0.000 3.016 394 H HA 0.425 4.982 4.556 0.001 0.000 0.362 394 H C -0.978 174.303 175.328 -0.078 0.000 1.233 394 H CA -0.985 54.956 56.048 -0.179 0.000 1.124 394 H CB 1.354 30.911 29.762 -0.341 0.000 1.850 394 H HN -0.112 nan 8.280 nan 0.000 0.549 395 L N 2.573 123.881 121.223 0.143 0.000 2.278 395 L HA 0.337 4.677 4.340 0.001 0.000 0.287 395 L C 0.242 177.327 176.870 0.360 0.000 1.072 395 L CA -0.025 54.899 54.840 0.140 0.000 0.819 395 L CB 0.320 42.454 42.059 0.126 0.000 1.176 395 L HN 0.838 nan 8.230 nan 0.000 0.435 396 T N 1.415 116.081 114.554 0.186 0.000 2.881 396 T HA 0.224 4.574 4.350 0.001 0.000 0.278 396 T C 1.110 175.860 174.700 0.085 0.000 0.982 396 T CA -0.555 61.720 62.100 0.291 0.000 0.989 396 T CB 0.909 69.861 68.868 0.139 0.000 1.058 396 T HN 0.575 nan 8.240 nan 0.000 0.529 397 L N 0.686 121.980 121.223 0.118 0.000 2.043 397 L HA -0.040 4.301 4.340 0.001 0.000 0.212 397 L C 2.699 179.509 176.870 -0.100 0.000 1.075 397 L CA 1.700 56.481 54.840 -0.097 0.000 0.752 397 L CB -0.707 41.393 42.059 0.068 0.000 0.891 397 L HN 0.597 nan 8.230 nan 0.000 0.432 398 R N -0.934 119.548 120.500 -0.030 0.000 2.148 398 R HA -0.064 4.276 4.340 0.001 0.000 0.227 398 R C 2.061 178.340 176.300 -0.034 0.000 1.103 398 R CA 1.676 57.771 56.100 -0.008 0.000 0.983 398 R CB -0.587 29.732 30.300 0.032 0.000 0.874 398 R HN 0.493 nan 8.270 nan 0.000 0.451 399 M N -0.143 119.370 119.600 -0.145 0.000 2.160 399 M HA -0.095 4.385 4.480 0.001 0.000 0.264 399 M C 2.175 178.423 176.300 -0.088 0.000 1.073 399 M CA 1.035 56.205 55.300 -0.216 0.000 1.142 399 M CB -0.423 31.849 32.600 -0.548 0.000 1.358 399 M HN -0.003 nan 8.290 nan 0.000 0.422 400 L N 1.071 122.189 121.223 -0.176 0.000 2.012 400 L HA -0.189 4.151 4.340 0.001 0.000 0.210 400 L C 2.081 178.884 176.870 -0.112 0.000 1.073 400 L CA 2.017 56.726 54.840 -0.218 0.000 0.748 400 L CB -0.673 41.071 42.059 -0.525 0.000 0.891 400 L HN 0.285 nan 8.230 nan 0.000 0.431 401 E N -0.776 119.371 120.200 -0.088 0.000 2.171 401 E HA -0.235 4.115 4.350 0.001 0.000 0.197 401 E C 2.023 178.657 176.600 0.057 0.000 0.997 401 E CA 1.248 57.644 56.400 -0.006 0.000 0.810 401 E CB -0.079 29.626 29.700 0.008 0.000 0.738 401 E HN 0.495 nan 8.360 nan 0.000 0.467 402 R N 0.243 120.791 120.500 0.081 0.000 2.310 402 R HA 0.130 4.470 4.340 0.001 0.000 0.202 402 R C 0.201 176.606 176.300 0.175 0.000 0.933 402 R CA -0.106 56.077 56.100 0.138 0.000 1.054 402 R CB 0.086 30.493 30.300 0.178 0.000 0.985 402 R HN 0.122 nan 8.270 nan 0.000 0.489 403 L N 4.243 125.555 121.223 0.149 0.000 2.513 403 L HA 0.098 4.438 4.340 0.001 0.000 0.272 403 L C -1.946 175.043 176.870 0.199 0.000 1.187 403 L CA -1.572 53.369 54.840 0.169 0.000 0.895 403 L CB 0.012 42.133 42.059 0.102 0.000 1.147 403 L HN -0.220 nan 8.230 nan 0.000 0.483 404 P HA 0.121 nan 4.420 nan 0.000 0.276 404 P C -0.807 176.723 177.300 0.384 0.000 1.235 404 P CA -0.174 63.065 63.100 0.231 0.000 0.772 404 P CB 1.382 33.175 31.700 0.155 0.000 0.871 405 V N 5.155 125.233 119.914 0.274 0.000 2.376 405 V HA 0.303 4.423 4.120 0.001 0.000 0.287 405 V C 1.021 177.156 176.094 0.068 0.000 1.015 405 V CA -0.810 61.650 62.300 0.267 0.000 0.834 405 V CB 0.958 32.980 31.823 0.332 0.000 1.001 405 V HN 0.505 nan 8.190 nan 0.000 0.428 406 R N 2.418 122.834 120.500 -0.140 0.000 2.802 406 R HA 0.071 4.411 4.340 0.001 0.000 0.264 406 R C 1.544 177.679 176.300 -0.275 0.000 0.996 406 R CA 0.195 56.094 56.100 -0.334 0.000 1.123 406 R CB 0.503 30.365 30.300 -0.730 0.000 0.996 406 R HN 0.572 nan 8.270 nan 0.000 0.444 407 R N 1.286 121.594 120.500 -0.320 0.000 2.127 407 R HA -0.152 4.188 4.340 0.001 0.000 0.238 407 R C 1.615 177.733 176.300 -0.304 0.000 1.134 407 R CA 1.603 57.494 56.100 -0.349 0.000 0.975 407 R CB 0.031 29.961 30.300 -0.617 0.000 0.865 407 R HN 0.643 nan 8.270 nan 0.000 0.447 408 E N -0.332 119.599 120.200 -0.450 0.000 2.358 408 E HA -0.157 4.193 4.350 0.001 0.000 0.195 408 E C 1.118 177.589 176.600 -0.215 0.000 1.010 408 E CA 1.052 57.222 56.400 -0.383 0.000 0.856 408 E CB -0.142 29.276 29.700 -0.470 0.000 0.795 408 E HN 0.451 nan 8.360 nan 0.000 0.504 409 Y N 1.276 121.547 120.300 -0.049 0.000 2.441 409 Y HA 0.426 4.977 4.550 0.001 0.000 0.288 409 Y C 1.494 177.439 175.900 0.076 0.000 1.118 409 Y CA 0.155 58.265 58.100 0.017 0.000 1.215 409 Y CB 0.321 38.794 38.460 0.022 0.000 1.118 409 Y HN 0.044 nan 8.280 nan 0.000 0.547 410 G N -0.677 108.255 108.800 0.219 0.000 2.752 410 G HA2 0.436 4.396 3.960 0.001 0.000 0.298 410 G HA3 0.436 4.396 3.960 0.001 0.000 0.298 410 G C -2.319 172.717 174.900 0.227 0.000 1.434 410 G CA -0.489 44.727 45.100 0.193 0.000 1.004 410 G HN -0.135 nan 8.290 nan 0.000 0.560 411 F N 1.974 121.910 119.950 -0.023 0.000 2.607 411 F HA 0.539 5.066 4.527 0.001 0.000 0.322 411 F C -0.900 174.889 175.800 -0.018 0.000 1.176 411 F CA -1.283 56.708 58.000 -0.014 0.000 0.977 411 F CB 1.704 40.686 39.000 -0.030 0.000 1.242 411 F HN 0.636 nan 8.300 nan 0.000 0.465 412 H N 3.790 122.654 119.070 -0.343 0.000 2.668 412 H HA 0.529 5.085 4.556 0.001 0.000 0.303 412 H C -0.533 174.310 175.328 -0.809 0.000 1.074 412 H CA 0.094 55.877 56.048 -0.441 0.000 1.406 412 H CB 0.869 30.491 29.762 -0.233 0.000 1.442 412 H HN 0.632 nan 8.280 nan 0.000 0.482 413 T N 3.260 117.557 114.554 -0.428 0.000 2.824 413 T HA 0.697 5.048 4.350 0.001 0.000 0.280 413 T C -0.226 174.427 174.700 -0.079 0.000 0.995 413 T CA -0.151 61.714 62.100 -0.393 0.000 1.009 413 T CB 1.450 70.118 68.868 -0.334 0.000 0.955 413 T HN 0.860 nan 8.240 nan 0.000 0.452 414 S N 0.000 115.652 115.700 -0.081 0.000 2.498 414 S HA 0.000 4.470 4.470 0.001 0.000 0.327 414 S CA 0.000 nan 58.200 nan 0.000 1.107 414 S CB 0.000 nan 63.200 nan 0.000 0.593 414 S HN 0.000 nan 8.310 nan 0.000 0.517