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 2qcs_1_B DATA FIRST_RESID 90 DATA SEQUENCE KGRRRRGAIS AEVYTEEDAA SYVRKVIPKD YKTMAALAKA IEKNVLFSHL DATA SEQUENCE DDNERSDIFD AMFPVSFIAG ETVIQQGDEG DNFYVIDQGE MDVYVNNEWA DATA SEQUENCE TSVGEGGSFG ELALIYGTPR AATVKAKTNV KLWGIDRDSY RRILMGSTLR DATA SEQUENCE KRKMYEEFLS KVSILESLDK WERLTVADAL EPVQFEDGQK IVVQGEPGDE DATA SEQUENCE FFIILEGSAA VLQRRSENEE FVEVGRLGPS DYFGEIALLM NRPKAATVVA DATA SEQUENCE RGPLKCVKLD RPRFERVLGP CSDILKRNIQ QYNSFVSLSV A 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 90 K HA 0.000 nan 4.320 nan 0.000 0.191 90 K C 0.000 176.601 176.600 0.002 0.000 0.988 90 K CA 0.000 56.288 56.287 0.002 0.000 0.838 90 K CB 0.000 32.501 32.500 0.002 0.000 1.064 91 G N 2.857 111.658 108.800 0.002 0.000 4.487 91 G HA2 0.541 4.501 3.960 -0.001 0.000 0.339 91 G HA3 0.541 4.501 3.960 -0.001 0.000 0.339 91 G C -0.289 174.612 174.900 0.002 0.000 1.482 91 G CA -0.528 44.574 45.100 0.002 0.000 1.069 91 G HN 0.480 nan 8.290 nan 0.000 0.515 92 R N -0.294 120.207 120.500 0.002 0.000 2.716 92 R HA 0.573 4.913 4.340 -0.001 0.000 0.271 92 R C -1.235 175.067 176.300 0.003 0.000 1.028 92 R CA -1.228 54.873 56.100 0.002 0.000 0.883 92 R CB 1.781 32.082 30.300 0.001 0.000 1.250 92 R HN 0.130 nan 8.270 nan 0.000 0.465 93 R N 1.884 122.386 120.500 0.003 0.000 2.287 93 R HA 0.297 4.636 4.340 -0.001 0.000 0.316 93 R C -0.749 175.553 176.300 0.003 0.000 1.050 93 R CA -0.623 55.480 56.100 0.004 0.000 0.983 93 R CB 0.799 31.103 30.300 0.006 0.000 1.140 93 R HN 0.547 nan 8.270 nan 0.000 0.528 94 R N 2.830 123.331 120.500 0.002 0.000 2.522 94 R HA 0.060 4.399 4.340 -0.001 0.000 0.284 94 R C -0.197 176.103 176.300 0.001 0.000 1.032 94 R CA 0.379 56.479 56.100 -0.000 0.000 1.049 94 R CB 0.646 30.945 30.300 -0.001 0.000 0.956 94 R HN 0.352 nan 8.270 nan 0.000 0.422 95 R N 1.229 121.728 120.500 -0.002 0.000 2.229 95 R HA 0.228 4.567 4.340 -0.001 0.000 0.332 95 R C 0.243 176.538 176.300 -0.007 0.000 0.989 95 R CA -0.367 55.731 56.100 -0.002 0.000 0.842 95 R CB 1.713 32.011 30.300 -0.003 0.000 1.119 95 R HN 0.693 nan 8.270 nan 0.000 0.456 96 G N 1.560 110.357 108.800 -0.006 0.000 2.467 96 G HA2 0.435 4.394 3.960 -0.001 0.000 0.257 96 G HA3 0.435 4.394 3.960 -0.001 0.000 0.257 96 G C -0.204 174.680 174.900 -0.027 0.000 1.227 96 G CA -0.497 44.595 45.100 -0.012 0.000 0.835 96 G HN 0.662 nan 8.290 nan 0.000 0.556 97 A N 0.804 123.601 122.820 -0.037 0.000 2.332 97 A HA 0.674 4.993 4.320 -0.001 0.000 0.258 97 A C 0.366 177.897 177.584 -0.088 0.000 1.087 97 A CA -0.320 51.680 52.037 -0.062 0.000 0.802 97 A CB 0.220 19.186 19.000 -0.056 0.000 1.042 97 A HN 1.258 nan 8.150 nan 0.000 0.489 98 I N -2.025 118.452 120.570 -0.154 0.000 2.785 98 I HA 0.838 5.008 4.170 -0.001 0.000 0.302 98 I C -0.414 175.557 176.117 -0.244 0.000 1.069 98 I CA -0.604 60.550 61.300 -0.244 0.000 1.045 98 I CB 2.337 40.024 38.000 -0.523 0.000 1.236 98 I HN 0.501 nan 8.210 nan 0.000 0.429 99 S N 2.514 118.091 115.700 -0.205 0.000 2.562 99 S HA 0.801 5.270 4.470 -0.001 0.000 0.274 99 S C -0.589 173.980 174.600 -0.052 0.000 1.160 99 S CA -0.161 57.962 58.200 -0.128 0.000 0.933 99 S CB 1.564 64.722 63.200 -0.071 0.000 1.100 99 S HN 1.136 nan 8.310 nan 0.000 0.468 100 A N 2.743 125.564 122.820 0.001 0.000 2.257 100 A HA 0.717 5.036 4.320 -0.001 0.000 0.290 100 A C 0.244 177.840 177.584 0.019 0.000 1.201 100 A CA -0.524 51.560 52.037 0.078 0.000 0.863 100 A CB 0.075 19.184 19.000 0.182 0.000 1.256 100 A HN 0.926 nan 8.150 nan 0.000 0.506 101 E N -0.270 119.915 120.200 -0.025 0.000 2.392 101 E HA 0.393 4.742 4.350 -0.001 0.000 0.259 101 E C -0.911 175.567 176.600 -0.204 0.000 1.108 101 E CA -0.728 55.584 56.400 -0.148 0.000 0.916 101 E CB 0.564 30.113 29.700 -0.252 0.000 0.989 101 E HN 0.215 nan 8.360 nan 0.000 0.432 102 V N 2.342 122.142 119.914 -0.189 0.000 2.572 102 V HA 0.024 4.144 4.120 -0.001 0.000 0.291 102 V C -0.736 175.187 176.094 -0.286 0.000 1.039 102 V CA 0.196 62.418 62.300 -0.131 0.000 1.055 102 V CB -0.509 31.271 31.823 -0.071 0.000 0.969 102 V HN 0.512 nan 8.190 nan 0.000 0.482 103 Y N 2.506 122.803 120.300 -0.004 0.000 2.364 103 Y HA 0.527 5.076 4.550 -0.001 0.000 0.340 103 Y C 0.752 176.647 175.900 -0.009 0.000 0.975 103 Y CA -0.736 57.359 58.100 -0.008 0.000 1.089 103 Y CB 1.911 40.359 38.460 -0.020 0.000 1.192 103 Y HN 0.737 nan 8.280 nan 0.000 0.454 104 T N -1.949 112.681 114.554 0.126 0.000 2.936 104 T HA 0.279 4.628 4.350 -0.001 0.000 0.282 104 T C 0.817 175.561 174.700 0.072 0.000 1.003 104 T CA -0.803 61.343 62.100 0.076 0.000 1.005 104 T CB 1.318 70.212 68.868 0.043 0.000 1.097 104 T HN 0.718 nan 8.240 nan 0.000 0.532 105 E N 0.420 120.645 120.200 0.043 0.000 2.160 105 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 105 E C 1.927 178.545 176.600 0.030 0.000 0.991 105 E CA 1.385 57.801 56.400 0.025 0.000 0.810 105 E CB -0.025 29.681 29.700 0.011 0.000 0.742 105 E HN 0.761 nan 8.360 nan 0.000 0.466 106 E N 0.997 121.218 120.200 0.035 0.000 2.110 106 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 106 E C 1.688 178.323 176.600 0.059 0.000 0.988 106 E CA 0.996 57.419 56.400 0.038 0.000 0.804 106 E CB -0.043 29.675 29.700 0.030 0.000 0.745 106 E HN 0.254 nan 8.360 nan 0.000 0.458 107 D N 0.847 121.295 120.400 0.079 0.000 2.144 107 D HA -0.131 4.509 4.640 -0.001 0.000 0.199 107 D C 1.940 178.318 176.300 0.130 0.000 0.984 107 D CA 1.211 55.284 54.000 0.122 0.000 0.834 107 D CB -0.226 40.682 40.800 0.180 0.000 0.955 107 D HN 0.157 nan 8.370 nan 0.000 0.465 108 A N 1.260 124.131 122.820 0.085 0.000 1.877 108 A HA -0.062 4.257 4.320 -0.001 0.000 0.216 108 A C 2.322 179.952 177.584 0.077 0.000 1.186 108 A CA 2.224 54.288 52.037 0.045 0.000 0.620 108 A CB -0.671 18.325 19.000 -0.006 0.000 0.822 108 A HN 0.247 nan 8.150 nan 0.000 0.443 109 A N -0.048 122.807 122.820 0.058 0.000 2.066 109 A HA 0.032 4.352 4.320 -0.001 0.000 0.218 109 A C 2.302 179.922 177.584 0.060 0.000 1.157 109 A CA 1.899 53.964 52.037 0.047 0.000 0.670 109 A CB -0.634 18.381 19.000 0.025 0.000 0.804 109 A HN 0.965 nan 8.150 nan 0.000 0.453 110 S N -2.194 113.556 115.700 0.082 0.000 2.524 110 S HA 0.081 4.551 4.470 -0.001 0.000 0.216 110 S C 0.514 175.169 174.600 0.091 0.000 0.987 110 S CA -0.391 57.852 58.200 0.071 0.000 0.909 110 S CB -0.643 62.599 63.200 0.070 0.000 0.781 110 S HN 0.478 nan 8.310 nan 0.000 0.521 111 Y N 2.285 122.595 120.300 0.015 0.000 2.526 111 Y HA 0.384 4.933 4.550 -0.001 0.000 0.330 111 Y C -0.507 175.397 175.900 0.008 0.000 1.156 111 Y CA -0.198 57.911 58.100 0.015 0.000 1.419 111 Y CB 0.541 39.003 38.460 0.004 0.000 1.250 111 Y HN -0.006 nan 8.280 nan 0.000 0.540 112 V N 8.517 128.016 119.914 -0.691 0.000 2.384 112 V HA 0.310 4.430 4.120 -0.001 0.000 0.287 112 V C -0.106 175.477 176.094 -0.852 0.000 1.020 112 V CA -0.948 61.029 62.300 -0.538 0.000 0.850 112 V CB 1.273 32.935 31.823 -0.270 0.000 0.987 112 V HN 0.712 nan 8.190 nan 0.000 0.436 113 R N 3.765 123.958 120.500 -0.512 0.000 2.351 113 R HA 0.248 4.588 4.340 -0.001 0.000 0.318 113 R C -0.505 175.714 176.300 -0.135 0.000 1.055 113 R CA -0.427 55.515 56.100 -0.265 0.000 0.968 113 R CB 0.272 30.569 30.300 -0.005 0.000 0.974 113 R HN 0.470 nan 8.270 nan 0.000 0.439 114 K N 2.725 123.094 120.400 -0.052 0.000 2.172 114 K HA 0.308 4.628 4.320 -0.001 0.000 0.276 114 K C -1.010 175.631 176.600 0.069 0.000 1.013 114 K CA -0.451 55.847 56.287 0.019 0.000 0.913 114 K CB 1.936 34.472 32.500 0.061 0.000 1.055 114 K HN 0.247 nan 8.250 nan 0.000 0.461 115 V N 4.579 124.525 119.914 0.053 0.000 2.443 115 V HA 0.469 4.588 4.120 -0.001 0.000 0.293 115 V C -0.465 175.668 176.094 0.065 0.000 1.021 115 V CA -0.763 61.571 62.300 0.056 0.000 0.848 115 V CB 1.229 33.070 31.823 0.029 0.000 0.998 115 V HN 0.588 nan 8.190 nan 0.000 0.424 116 I N 7.480 128.101 120.570 0.084 0.000 2.389 116 I HA 0.422 4.591 4.170 -0.001 0.000 0.288 116 I C -2.215 173.936 176.117 0.056 0.000 0.999 116 I CA -2.004 59.361 61.300 0.108 0.000 1.129 116 I CB 2.654 40.774 38.000 0.200 0.000 1.288 116 I HN 0.437 nan 8.210 nan 0.000 0.444 117 P HA 0.167 nan 4.420 nan 0.000 0.271 117 P C -1.196 176.079 177.300 -0.040 0.000 1.226 117 P CA -0.311 62.784 63.100 -0.008 0.000 0.765 117 P CB 0.666 32.371 31.700 0.009 0.000 0.835 118 K N 2.245 122.565 120.400 -0.133 0.000 2.397 118 K HA 0.285 4.605 4.320 -0.001 0.000 0.253 118 K C -0.106 176.371 176.600 -0.206 0.000 0.932 118 K CA -0.723 55.440 56.287 -0.207 0.000 0.795 118 K CB 1.217 33.477 32.500 -0.400 0.000 1.159 118 K HN 0.418 nan 8.250 nan 0.000 0.424 119 D N 0.514 120.824 120.400 -0.149 0.000 2.369 119 D HA -0.087 4.552 4.640 -0.001 0.000 0.241 119 D C 0.650 176.849 176.300 -0.168 0.000 1.271 119 D CA 0.216 54.118 54.000 -0.164 0.000 0.942 119 D CB 0.298 41.074 40.800 -0.039 0.000 1.129 119 D HN 0.508 nan 8.370 nan 0.000 0.476 120 Y N -0.942 119.341 120.300 -0.029 0.000 2.274 120 Y HA -0.137 4.412 4.550 -0.001 0.000 0.290 120 Y C 2.574 178.446 175.900 -0.047 0.000 1.145 120 Y CA 1.222 59.303 58.100 -0.032 0.000 1.203 120 Y CB -0.115 38.337 38.460 -0.014 0.000 0.984 120 Y HN 0.381 nan 8.280 nan 0.000 0.533 121 K N -0.078 120.387 120.400 0.108 0.000 2.026 121 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 121 K C 1.873 178.461 176.600 -0.020 0.000 1.048 121 K CA 1.929 58.243 56.287 0.045 0.000 0.929 121 K CB -0.253 32.276 32.500 0.047 0.000 0.713 121 K HN 0.199 nan 8.250 nan 0.000 0.439 122 T N 1.680 116.198 114.554 -0.060 0.000 2.737 122 T HA -0.114 4.235 4.350 -0.001 0.000 0.265 122 T C 1.859 176.380 174.700 -0.298 0.000 1.038 122 T CA 1.291 63.297 62.100 -0.157 0.000 1.144 122 T CB -0.048 68.691 68.868 -0.215 0.000 0.866 122 T HN 0.176 nan 8.240 nan 0.000 0.434 123 M N 1.201 120.644 119.600 -0.261 0.000 2.149 123 M HA -0.053 4.427 4.480 -0.001 0.000 0.261 123 M C 2.756 178.919 176.300 -0.228 0.000 1.064 123 M CA 1.440 56.579 55.300 -0.269 0.000 1.102 123 M CB -1.384 31.172 32.600 -0.073 0.000 1.369 123 M HN 0.320 nan 8.290 nan 0.000 0.408 124 A N -0.007 122.751 122.820 -0.105 0.000 1.898 124 A HA 0.060 4.380 4.320 -0.001 0.000 0.216 124 A C 2.425 179.937 177.584 -0.120 0.000 1.181 124 A CA 1.905 53.902 52.037 -0.067 0.000 0.620 124 A CB -0.785 18.207 19.000 -0.012 0.000 0.819 124 A HN 0.480 nan 8.150 nan 0.000 0.442 125 A N -0.313 122.420 122.820 -0.145 0.000 1.930 125 A HA 0.038 4.358 4.320 -0.001 0.000 0.217 125 A C 2.147 179.596 177.584 -0.224 0.000 1.175 125 A CA 1.330 53.287 52.037 -0.133 0.000 0.627 125 A CB -0.538 18.415 19.000 -0.078 0.000 0.815 125 A HN 0.455 nan 8.150 nan 0.000 0.443 126 L N -0.739 120.227 121.223 -0.428 0.000 2.046 126 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 126 L C 3.121 179.627 176.870 -0.606 0.000 1.077 126 L CA 1.068 55.491 54.840 -0.694 0.000 0.747 126 L CB -0.568 40.683 42.059 -1.346 0.000 0.896 126 L HN 0.433 nan 8.230 nan 0.000 0.432 127 A N 0.263 122.802 122.820 -0.467 0.000 1.883 127 A HA -0.285 4.034 4.320 -0.001 0.000 0.217 127 A C 2.382 179.963 177.584 -0.005 0.000 1.186 127 A CA 2.188 54.216 52.037 -0.016 0.000 0.624 127 A CB -0.512 18.544 19.000 0.094 0.000 0.822 127 A HN 0.351 nan 8.150 nan 0.000 0.444 128 K N -0.327 120.041 120.400 -0.054 0.000 2.057 128 K HA -0.093 4.226 4.320 -0.001 0.000 0.207 128 K C 2.093 178.672 176.600 -0.035 0.000 1.049 128 K CA 1.368 57.636 56.287 -0.031 0.000 0.931 128 K CB -0.370 32.109 32.500 -0.034 0.000 0.714 128 K HN 0.351 nan 8.250 nan 0.000 0.440 129 A N 1.053 123.830 122.820 -0.072 0.000 1.972 129 A HA -0.112 4.207 4.320 -0.001 0.000 0.219 129 A C 1.836 179.397 177.584 -0.037 0.000 1.169 129 A CA 1.719 53.723 52.037 -0.055 0.000 0.635 129 A CB -0.549 18.400 19.000 -0.085 0.000 0.810 129 A HN 0.556 nan 8.150 nan 0.000 0.446 130 I N -1.712 118.815 120.570 -0.072 0.000 3.976 130 I HA 0.163 4.333 4.170 -0.001 0.000 0.337 130 I C 1.442 177.560 176.117 0.003 0.000 1.359 130 I CA 0.515 61.745 61.300 -0.116 0.000 1.098 130 I CB -0.467 37.214 38.000 -0.533 0.000 1.027 130 I HN 0.437 nan 8.210 nan 0.000 0.394 131 E N 2.277 122.495 120.200 0.030 0.000 2.153 131 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 131 E C 1.127 177.757 176.600 0.051 0.000 0.988 131 E CA 1.328 57.759 56.400 0.051 0.000 0.811 131 E CB -0.261 29.461 29.700 0.036 0.000 0.746 131 E HN 0.529 nan 8.360 nan 0.000 0.466 132 K N 0.519 120.948 120.400 0.048 0.000 2.397 132 K HA 0.190 4.509 4.320 -0.001 0.000 0.202 132 K C -0.710 175.936 176.600 0.078 0.000 1.022 132 K CA -0.202 56.117 56.287 0.054 0.000 1.141 132 K CB 0.420 32.945 32.500 0.043 0.000 0.857 132 K HN 0.066 nan 8.250 nan 0.000 0.514 133 N N 0.184 118.945 118.700 0.101 0.000 2.430 133 N HA -0.023 4.717 4.740 -0.001 0.000 0.265 133 N C 0.892 176.509 175.510 0.179 0.000 1.100 133 N CA -0.162 52.967 53.050 0.132 0.000 0.961 133 N CB 1.625 40.191 38.487 0.132 0.000 1.075 133 N HN -0.158 nan 8.380 nan 0.000 0.478 134 V N 4.243 124.235 119.914 0.130 0.000 2.469 134 V HA -0.166 3.954 4.120 -0.001 0.000 0.251 134 V C 1.301 177.477 176.094 0.137 0.000 1.064 134 V CA 1.786 64.173 62.300 0.145 0.000 1.066 134 V CB -0.381 31.488 31.823 0.078 0.000 0.667 134 V HN 0.673 nan 8.190 nan 0.000 0.461 135 L N -1.521 119.734 121.223 0.053 0.000 2.599 135 L HA 0.140 4.480 4.340 -0.001 0.000 0.230 135 L C 1.611 178.334 176.870 -0.245 0.000 1.141 135 L CA 0.634 55.414 54.840 -0.101 0.000 0.877 135 L CB -0.243 41.619 42.059 -0.329 0.000 1.009 135 L HN 0.335 nan 8.230 nan 0.000 0.447 136 F N -1.700 118.271 119.950 0.034 0.000 2.711 136 F HA 0.003 4.529 4.527 -0.001 0.000 0.296 136 F C 2.564 178.386 175.800 0.037 0.000 1.096 136 F CA 0.416 58.442 58.000 0.044 0.000 1.280 136 F CB 0.061 39.083 39.000 0.036 0.000 1.060 136 F HN -0.013 nan 8.300 nan 0.000 0.608 137 S N -1.110 114.712 115.700 0.203 0.000 2.481 137 S HA -0.104 4.365 4.470 -0.001 0.000 0.231 137 S C 1.117 175.595 174.600 -0.204 0.000 0.996 137 S CA 0.914 59.118 58.200 0.006 0.000 0.942 137 S CB -0.722 62.442 63.200 -0.060 0.000 0.768 137 S HN 0.455 nan 8.310 nan 0.000 0.520 138 H N 0.560 119.643 119.070 0.021 0.000 2.520 138 H HA 0.421 4.976 4.556 -0.001 0.000 0.284 138 H C 0.106 175.417 175.328 -0.029 0.000 1.037 138 H CA -0.264 55.781 56.048 -0.004 0.000 1.168 138 H CB 0.184 29.938 29.762 -0.013 0.000 1.497 138 H HN 0.370 nan 8.280 nan 0.000 0.547 139 L N 1.954 123.196 121.223 0.032 0.000 2.421 139 L HA 0.095 4.435 4.340 -0.001 0.000 0.263 139 L C 0.639 177.495 176.870 -0.024 0.000 1.122 139 L CA -0.761 54.063 54.840 -0.027 0.000 0.804 139 L CB 0.834 42.856 42.059 -0.063 0.000 1.150 139 L HN 0.238 nan 8.230 nan 0.000 0.457 140 D N -0.832 119.546 120.400 -0.037 0.000 2.423 140 D HA 0.038 4.678 4.640 -0.001 0.000 0.255 140 D C 0.324 176.602 176.300 -0.037 0.000 1.174 140 D CA -0.499 53.487 54.000 -0.025 0.000 1.008 140 D CB 0.659 41.453 40.800 -0.009 0.000 1.101 140 D HN 0.348 nan 8.370 nan 0.000 0.516 141 D N -0.588 119.800 120.400 -0.020 0.000 2.149 141 D HA -0.153 4.486 4.640 -0.001 0.000 0.198 141 D C 1.386 177.663 176.300 -0.039 0.000 0.990 141 D CA 0.967 54.957 54.000 -0.017 0.000 0.839 141 D CB -0.174 40.632 40.800 0.010 0.000 0.948 141 D HN 0.339 nan 8.370 nan 0.000 0.460 142 N N 0.823 119.503 118.700 -0.033 0.000 2.084 142 N HA -0.122 4.618 4.740 -0.001 0.000 0.190 142 N C 1.700 177.160 175.510 -0.082 0.000 1.030 142 N CA 0.755 53.781 53.050 -0.040 0.000 0.849 142 N CB -0.223 38.250 38.487 -0.023 0.000 1.012 142 N HN 0.396 nan 8.380 nan 0.000 0.423 143 E N 0.637 120.774 120.200 -0.104 0.000 2.038 143 E HA -0.107 4.243 4.350 -0.001 0.000 0.195 143 E C 2.145 178.615 176.600 -0.217 0.000 1.000 143 E CA 0.910 57.218 56.400 -0.153 0.000 0.803 143 E CB -0.033 29.571 29.700 -0.160 0.000 0.750 143 E HN 0.277 nan 8.360 nan 0.000 0.448 144 R N 0.291 120.641 120.500 -0.250 0.000 2.096 144 R HA -0.157 4.183 4.340 -0.001 0.000 0.240 144 R C 2.654 178.499 176.300 -0.758 0.000 1.139 144 R CA 1.478 57.271 56.100 -0.511 0.000 0.952 144 R CB -0.486 29.566 30.300 -0.413 0.000 0.854 144 R HN 0.069 nan 8.270 nan 0.000 0.436 145 S N 0.647 116.138 115.700 -0.348 0.000 2.356 145 S HA -0.164 4.305 4.470 -0.001 0.000 0.223 145 S C 1.364 175.908 174.600 -0.093 0.000 1.032 145 S CA 1.673 59.788 58.200 -0.141 0.000 1.005 145 S CB -0.217 62.971 63.200 -0.020 0.000 0.867 145 S HN 0.226 nan 8.310 nan 0.000 0.449 146 D N 1.056 121.398 120.400 -0.097 0.000 2.117 146 D HA -0.040 4.599 4.640 -0.001 0.000 0.197 146 D C 1.858 178.147 176.300 -0.018 0.000 0.987 146 D CA 1.065 55.043 54.000 -0.036 0.000 0.829 146 D CB -0.391 40.387 40.800 -0.037 0.000 0.961 146 D HN 0.463 nan 8.370 nan 0.000 0.460 147 I N 0.018 120.530 120.570 -0.097 0.000 2.179 147 I HA -0.238 3.932 4.170 -0.001 0.000 0.242 147 I C 2.202 178.412 176.117 0.155 0.000 1.088 147 I CA 0.849 62.158 61.300 0.015 0.000 1.357 147 I CB -0.248 37.776 38.000 0.040 0.000 1.051 147 I HN -0.046 nan 8.210 nan 0.000 0.409 148 F N 0.643 120.632 119.950 0.066 0.000 2.171 148 F HA -0.259 4.267 4.527 -0.001 0.000 0.300 148 F C 2.313 178.070 175.800 -0.072 0.000 1.090 148 F CA 0.500 58.480 58.000 -0.034 0.000 1.293 148 F CB -0.404 38.547 39.000 -0.082 0.000 1.013 148 F HN 0.122 nan 8.300 nan 0.000 0.486 149 D N 0.650 121.138 120.400 0.147 0.000 2.123 149 D HA -0.162 4.477 4.640 -0.001 0.000 0.196 149 D C 2.220 178.583 176.300 0.105 0.000 0.992 149 D CA 1.403 55.450 54.000 0.078 0.000 0.833 149 D CB -0.399 40.438 40.800 0.061 0.000 0.954 149 D HN 0.230 nan 8.370 nan 0.000 0.455 150 A N 0.203 123.113 122.820 0.149 0.000 2.119 150 A HA 0.009 4.329 4.320 -0.001 0.000 0.217 150 A C 1.256 178.995 177.584 0.258 0.000 1.153 150 A CA 0.159 52.319 52.037 0.205 0.000 0.692 150 A CB -0.384 18.756 19.000 0.233 0.000 0.799 150 A HN 0.164 nan 8.150 nan 0.000 0.458 151 M N 0.678 120.397 119.600 0.198 0.000 2.250 151 M HA 0.278 4.757 4.480 -0.001 0.000 0.337 151 M C -0.402 176.086 176.300 0.315 0.000 1.161 151 M CA 0.255 55.646 55.300 0.151 0.000 1.088 151 M CB 0.111 32.769 32.600 0.097 0.000 1.639 151 M HN 0.465 nan 8.290 nan 0.000 0.447 152 F N 2.576 122.750 119.950 0.373 0.000 2.492 152 F HA 0.809 5.335 4.527 -0.001 0.000 0.327 152 F C -2.669 173.321 175.800 0.316 0.000 1.079 152 F CA -3.303 54.903 58.000 0.342 0.000 0.967 152 F CB 0.115 39.231 39.000 0.195 0.000 1.169 152 F HN 0.278 nan 8.300 nan 0.000 0.472 153 P HA 0.334 nan 4.420 nan 0.000 0.285 153 P C -1.183 176.105 177.300 -0.020 0.000 1.259 153 P CA -0.331 62.585 63.100 -0.307 0.000 0.794 153 P CB 1.934 33.341 31.700 -0.489 0.000 0.940 154 V N 1.241 121.097 119.914 -0.097 0.000 2.686 154 V HA 0.495 4.614 4.120 -0.001 0.000 0.306 154 V C 0.030 176.012 176.094 -0.186 0.000 1.065 154 V CA -0.566 61.691 62.300 -0.071 0.000 0.894 154 V CB 1.796 33.694 31.823 0.125 0.000 1.004 154 V HN 0.465 nan 8.190 nan 0.000 0.424 155 S N 3.029 118.526 115.700 -0.339 0.000 2.568 155 S HA 0.918 5.387 4.470 -0.001 0.000 0.302 155 S C -1.138 173.152 174.600 -0.517 0.000 1.082 155 S CA -0.338 57.705 58.200 -0.261 0.000 1.009 155 S CB 1.388 64.477 63.200 -0.184 0.000 1.069 155 S HN 0.522 nan 8.310 nan 0.000 0.500 156 F N 1.564 121.477 119.950 -0.061 0.000 2.588 156 F HA 0.577 5.103 4.527 -0.001 0.000 0.310 156 F C 0.184 175.963 175.800 -0.035 0.000 1.082 156 F CA -1.114 56.859 58.000 -0.044 0.000 0.929 156 F CB 1.151 40.123 39.000 -0.047 0.000 1.254 156 F HN 0.480 nan 8.300 nan 0.000 0.455 157 I N 0.566 121.220 120.570 0.141 0.000 2.783 157 I HA 0.848 5.018 4.170 -0.001 0.000 0.312 157 I C 0.116 176.285 176.117 0.088 0.000 0.988 157 I CA -1.086 60.264 61.300 0.082 0.000 1.182 157 I CB 1.260 39.284 38.000 0.040 0.000 1.368 157 I HN 0.651 nan 8.210 nan 0.000 0.511 158 A N 2.961 125.813 122.820 0.053 0.000 2.546 158 A HA 0.440 4.759 4.320 -0.001 0.000 0.243 158 A C 1.222 178.828 177.584 0.037 0.000 1.063 158 A CA 0.640 52.701 52.037 0.040 0.000 0.757 158 A CB -0.794 18.222 19.000 0.026 0.000 0.991 158 A HN 1.770 nan 8.150 nan 0.000 0.503 159 G N 1.506 110.325 108.800 0.031 0.000 2.259 159 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.217 159 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.217 159 G C 0.097 175.007 174.900 0.017 0.000 1.001 159 G CA 0.226 45.339 45.100 0.022 0.000 0.627 159 G HN 0.818 nan 8.290 nan 0.000 0.501 160 E N 1.195 121.420 120.200 0.042 0.000 2.366 160 E HA 0.453 4.803 4.350 -0.001 0.000 0.266 160 E C -0.286 176.295 176.600 -0.031 0.000 1.051 160 E CA 0.103 56.542 56.400 0.066 0.000 0.884 160 E CB 0.742 30.580 29.700 0.230 0.000 1.006 160 E HN 0.130 nan 8.360 nan 0.000 0.417 161 T N 2.002 116.540 114.554 -0.027 0.000 2.749 161 T HA 0.113 4.462 4.350 -0.001 0.000 0.295 161 T C 1.183 175.762 174.700 -0.201 0.000 0.936 161 T CA -0.520 61.517 62.100 -0.105 0.000 1.060 161 T CB 1.118 69.956 68.868 -0.050 0.000 0.904 161 T HN 0.197 nan 8.240 nan 0.000 0.500 162 V N 4.015 123.659 119.914 -0.449 0.000 2.300 162 V HA 0.190 4.310 4.120 -0.001 0.000 0.241 162 V C 0.888 176.856 176.094 -0.211 0.000 1.034 162 V CA 0.897 62.788 62.300 -0.682 0.000 1.021 162 V CB -0.351 30.973 31.823 -0.831 0.000 0.662 162 V HN 0.849 nan 8.190 nan 0.000 0.458 163 I N -1.381 119.102 120.570 -0.144 0.000 2.730 163 I HA 0.776 4.945 4.170 -0.001 0.000 0.298 163 I C -0.907 175.196 176.117 -0.023 0.000 1.089 163 I CA -0.964 60.333 61.300 -0.006 0.000 1.041 163 I CB 2.111 40.169 38.000 0.097 0.000 1.235 163 I HN 0.007 nan 8.210 nan 0.000 0.423 164 Q N 3.692 123.502 119.800 0.016 0.000 2.322 164 Q HA 0.310 4.650 4.340 -0.001 0.000 0.265 164 Q C -0.710 175.300 176.000 0.017 0.000 0.985 164 Q CA -0.400 55.407 55.803 0.006 0.000 0.849 164 Q CB 1.757 30.503 28.738 0.014 0.000 1.274 164 Q HN 0.725 nan 8.270 nan 0.000 0.449 165 Q N 2.401 122.205 119.800 0.007 0.000 2.304 165 Q HA 0.200 4.539 4.340 -0.001 0.000 0.301 165 Q C 0.512 176.524 176.000 0.019 0.000 1.063 165 Q CA 1.620 57.431 55.803 0.013 0.000 0.947 165 Q CB 0.033 28.776 28.738 0.009 0.000 1.201 165 Q HN 1.004 nan 8.270 nan 0.000 0.389 166 G N 3.298 112.113 108.800 0.026 0.000 2.253 166 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.251 166 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.251 166 G C -0.378 174.544 174.900 0.037 0.000 0.998 166 G CA 0.183 45.301 45.100 0.029 0.000 0.621 166 G HN 0.703 nan 8.290 nan 0.000 0.524 167 D N 0.913 121.339 120.400 0.043 0.000 2.372 167 D HA 0.448 5.088 4.640 -0.001 0.000 0.243 167 D C 0.575 176.913 176.300 0.062 0.000 1.121 167 D CA -0.059 53.973 54.000 0.054 0.000 0.898 167 D CB 0.856 41.695 40.800 0.065 0.000 1.202 167 D HN 0.481 nan 8.370 nan 0.000 0.428 168 E N 0.209 120.448 120.200 0.064 0.000 2.290 168 E HA 0.396 4.745 4.350 -0.001 0.000 0.277 168 E C -0.142 176.507 176.600 0.082 0.000 1.035 168 E CA -0.625 55.816 56.400 0.067 0.000 0.873 168 E CB 0.560 30.299 29.700 0.065 0.000 1.029 168 E HN 0.462 nan 8.360 nan 0.000 0.419 169 G N 3.550 112.397 108.800 0.077 0.000 2.353 169 G HA2 0.098 4.057 3.960 -0.001 0.000 0.284 169 G HA3 0.098 4.057 3.960 -0.001 0.000 0.284 169 G C -0.147 174.802 174.900 0.081 0.000 1.172 169 G CA -0.448 44.711 45.100 0.098 0.000 0.854 169 G HN 0.637 nan 8.290 nan 0.000 0.485 170 D N 0.766 121.229 120.400 0.104 0.000 2.423 170 D HA 0.038 4.678 4.640 -0.001 0.000 0.212 170 D C 0.474 176.817 176.300 0.071 0.000 1.060 170 D CA 0.422 54.477 54.000 0.093 0.000 0.872 170 D CB 0.534 41.401 40.800 0.112 0.000 1.012 170 D HN 0.491 nan 8.370 nan 0.000 0.503 171 N N -0.290 118.434 118.700 0.040 0.000 2.319 171 N HA 0.366 5.106 4.740 -0.001 0.000 0.305 171 N C -1.278 174.072 175.510 -0.267 0.000 1.103 171 N CA -0.706 52.254 53.050 -0.151 0.000 0.815 171 N CB 2.217 40.490 38.487 -0.357 0.000 1.288 171 N HN -0.121 nan 8.380 nan 0.000 0.493 172 F N 1.987 121.656 119.950 -0.469 0.000 2.422 172 F HA 0.522 5.048 4.527 -0.001 0.000 0.333 172 F C -1.230 174.154 175.800 -0.694 0.000 1.095 172 F CA -0.502 57.247 58.000 -0.419 0.000 1.038 172 F CB 0.668 39.555 39.000 -0.189 0.000 1.156 172 F HN 0.402 nan 8.300 nan 0.000 0.483 173 Y N 3.973 123.564 120.300 -1.182 0.000 2.442 173 Y HA 0.568 5.118 4.550 -0.001 0.000 0.344 173 Y C -0.822 174.305 175.900 -1.287 0.000 0.976 173 Y CA -1.164 56.276 58.100 -1.100 0.000 1.040 173 Y CB 1.915 39.689 38.460 -1.142 0.000 1.228 173 Y HN 0.314 nan 8.280 nan 0.000 0.451 174 V N 4.758 124.314 119.914 -0.596 0.000 2.483 174 V HA 0.371 4.490 4.120 -0.001 0.000 0.295 174 V C -0.057 175.952 176.094 -0.142 0.000 1.035 174 V CA -0.882 61.209 62.300 -0.350 0.000 0.896 174 V CB 1.552 33.265 31.823 -0.184 0.000 0.986 174 V HN 0.575 nan 8.190 nan 0.000 0.447 175 I N 3.572 124.096 120.570 -0.077 0.000 2.308 175 I HA 0.146 4.316 4.170 -0.001 0.000 0.293 175 I C 1.137 177.268 176.117 0.024 0.000 1.078 175 I CA 0.116 61.414 61.300 -0.003 0.000 1.292 175 I CB 0.614 38.644 38.000 0.049 0.000 1.423 175 I HN 0.673 nan 8.210 nan 0.000 0.493 176 D N 3.353 123.771 120.400 0.029 0.000 2.137 176 D HA -0.106 4.533 4.640 -0.001 0.000 0.202 176 D C 0.545 176.866 176.300 0.036 0.000 0.970 176 D CA 1.044 55.089 54.000 0.076 0.000 0.837 176 D CB 0.528 41.365 40.800 0.061 0.000 0.981 176 D HN 0.376 nan 8.370 nan 0.000 0.475 177 Q N -1.199 118.603 119.800 0.004 0.000 2.309 177 Q HA 0.590 4.930 4.340 -0.001 0.000 0.273 177 Q C -0.378 175.628 176.000 0.011 0.000 1.040 177 Q CA -0.186 55.623 55.803 0.009 0.000 0.834 177 Q CB 1.118 29.856 28.738 -0.000 0.000 1.345 177 Q HN 0.614 nan 8.270 nan 0.000 0.414 178 G N 2.269 111.078 108.800 0.016 0.000 2.566 178 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.599 178 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.599 178 G C -1.336 173.574 174.900 0.018 0.000 1.292 178 G CA -0.233 44.877 45.100 0.017 0.000 0.922 178 G HN 0.731 nan 8.290 nan 0.000 0.514 179 E N -0.579 119.630 120.200 0.014 0.000 2.266 179 E HA 0.687 5.036 4.350 -0.001 0.000 0.268 179 E C -0.288 176.310 176.600 -0.004 0.000 0.879 179 E CA -0.626 55.781 56.400 0.012 0.000 0.762 179 E CB 1.987 31.698 29.700 0.019 0.000 1.199 179 E HN 0.521 nan 8.360 nan 0.000 0.422 180 M N 1.231 120.815 119.600 -0.027 0.000 2.602 180 M HA 0.320 4.800 4.480 -0.001 0.000 0.312 180 M C -0.768 175.498 176.300 -0.057 0.000 1.181 180 M CA -0.701 54.556 55.300 -0.071 0.000 0.910 180 M CB 1.897 34.389 32.600 -0.180 0.000 1.723 180 M HN 0.163 nan 8.290 nan 0.000 0.459 181 D N 1.283 121.670 120.400 -0.022 0.000 2.175 181 D HA 0.505 5.145 4.640 -0.001 0.000 0.248 181 D C -1.102 175.049 176.300 -0.248 0.000 1.047 181 D CA -0.121 53.857 54.000 -0.037 0.000 0.883 181 D CB 1.929 42.818 40.800 0.147 0.000 1.180 181 D HN 0.202 nan 8.370 nan 0.000 0.438 182 V N 2.850 122.438 119.914 -0.544 0.000 2.495 182 V HA 0.347 4.466 4.120 -0.001 0.000 0.298 182 V C -0.965 174.714 176.094 -0.693 0.000 1.031 182 V CA -0.710 61.294 62.300 -0.494 0.000 0.871 182 V CB 0.930 32.482 31.823 -0.451 0.000 0.988 182 V HN 0.386 nan 8.190 nan 0.000 0.432 183 Y N 2.763 122.934 120.300 -0.216 0.000 2.376 183 Y HA 0.702 5.251 4.550 -0.001 0.000 0.340 183 Y C -0.109 175.720 175.900 -0.118 0.000 0.965 183 Y CA -0.958 57.057 58.100 -0.142 0.000 1.078 183 Y CB 2.208 40.636 38.460 -0.053 0.000 1.193 183 Y HN 0.363 nan 8.280 nan 0.000 0.452 184 V N 2.647 122.580 119.914 0.032 0.000 2.555 184 V HA 0.244 4.364 4.120 -0.001 0.000 0.302 184 V C -0.000 176.119 176.094 0.042 0.000 1.038 184 V CA -1.494 60.813 62.300 0.012 0.000 0.887 184 V CB 1.440 33.243 31.823 -0.034 0.000 0.991 184 V HN 0.973 nan 8.190 nan 0.000 0.434 185 N N 4.775 123.494 118.700 0.032 0.000 2.701 185 N HA -0.257 4.482 4.740 -0.001 0.000 0.252 185 N C 0.537 176.076 175.510 0.048 0.000 1.002 185 N CA 0.593 53.662 53.050 0.032 0.000 0.758 185 N CB -0.661 37.840 38.487 0.024 0.000 0.937 185 N HN 0.873 nan 8.380 nan 0.000 0.538 186 N N -2.021 116.717 118.700 0.065 0.000 2.936 186 N HA -0.176 4.563 4.740 -0.001 0.000 0.236 186 N C -0.822 174.792 175.510 0.172 0.000 0.930 186 N CA 1.462 54.549 53.050 0.062 0.000 0.966 186 N CB -0.658 37.834 38.487 0.008 0.000 1.090 186 N HN 0.653 nan 8.380 nan 0.000 0.592 187 E N -0.204 120.116 120.200 0.200 0.000 2.197 187 E HA 0.147 4.497 4.350 -0.001 0.000 0.281 187 E C -0.239 176.535 176.600 0.289 0.000 0.995 187 E CA -0.791 55.755 56.400 0.242 0.000 0.808 187 E CB 0.759 30.540 29.700 0.134 0.000 1.093 187 E HN 0.152 nan 8.360 nan 0.000 0.394 188 W N 3.557 124.930 121.300 0.121 0.000 2.613 188 W HA -0.017 4.643 4.660 -0.000 0.000 0.342 188 W C 0.547 176.953 176.519 -0.189 0.000 1.416 188 W CA 0.381 57.568 57.345 -0.262 0.000 1.335 188 W CB 0.262 29.583 29.460 -0.231 0.000 1.396 188 W HN 0.670 nan 8.180 nan 0.000 0.572 189 A N 3.893 126.231 122.820 -0.804 0.000 1.859 189 A HA 0.205 4.524 4.320 -0.001 0.000 0.212 189 A C 0.892 177.687 177.584 -1.316 0.000 1.238 189 A CA 1.643 53.241 52.037 -0.733 0.000 0.613 189 A CB -0.277 18.447 19.000 -0.460 0.000 0.904 189 A HN 0.538 nan 8.150 nan 0.000 0.457 190 T N -2.255 111.362 114.554 -1.562 0.000 2.645 190 T HA 0.530 4.879 4.350 -0.001 0.000 0.300 190 T C -1.225 172.951 174.700 -0.873 0.000 1.210 190 T CA 0.203 61.495 62.100 -1.346 0.000 1.034 190 T CB 1.097 69.616 68.868 -0.582 0.000 1.537 190 T HN 0.891 nan 8.240 nan 0.000 0.492 191 S N 0.273 115.823 115.700 -0.249 0.000 2.566 191 S HA 0.858 5.328 4.470 -0.001 0.000 0.298 191 S C -1.168 173.387 174.600 -0.075 0.000 1.083 191 S CA -0.625 57.542 58.200 -0.055 0.000 0.978 191 S CB 1.527 64.831 63.200 0.173 0.000 1.073 191 S HN 0.700 nan 8.310 nan 0.000 0.491 192 V N 0.958 120.830 119.914 -0.071 0.000 2.735 192 V HA 0.877 4.996 4.120 -0.001 0.000 0.310 192 V C 0.717 176.813 176.094 0.003 0.000 1.061 192 V CA -0.303 61.978 62.300 -0.032 0.000 0.913 192 V CB 1.454 33.259 31.823 -0.031 0.000 1.005 192 V HN 1.228 nan 8.190 nan 0.000 0.428 193 G N 1.183 109.996 108.800 0.022 0.000 2.932 193 G HA2 0.566 4.526 3.960 -0.001 0.000 0.283 193 G HA3 0.566 4.526 3.960 -0.001 0.000 0.283 193 G C -0.634 174.286 174.900 0.033 0.000 1.336 193 G CA -0.665 44.451 45.100 0.027 0.000 1.056 193 G HN 0.773 nan 8.290 nan 0.000 0.522 194 E N -0.711 119.505 120.200 0.027 0.000 2.502 194 E HA 0.306 4.656 4.350 -0.001 0.000 0.261 194 E C 1.383 177.996 176.600 0.022 0.000 0.974 194 E CA 1.300 57.715 56.400 0.025 0.000 0.936 194 E CB 0.023 29.736 29.700 0.022 0.000 0.926 194 E HN 1.220 nan 8.360 nan 0.000 0.459 195 G N 2.650 111.460 108.800 0.017 0.000 2.268 195 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.240 195 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.240 195 G C 0.552 175.458 174.900 0.009 0.000 1.010 195 G CA 0.073 45.177 45.100 0.008 0.000 0.618 195 G HN 0.908 nan 8.290 nan 0.000 0.516 196 G N -0.207 108.609 108.800 0.026 0.000 2.588 196 G HA2 0.707 4.667 3.960 -0.001 0.000 0.278 196 G HA3 0.707 4.667 3.960 -0.001 0.000 0.278 196 G C 0.247 175.166 174.900 0.031 0.000 1.307 196 G CA 1.125 46.252 45.100 0.046 0.000 1.016 196 G HN 1.888 nan 8.290 nan 0.000 0.503 197 S N -1.654 114.090 115.700 0.073 0.000 2.565 197 S HA 0.792 5.262 4.470 -0.001 0.000 0.269 197 S C -1.010 173.678 174.600 0.148 0.000 1.153 197 S CA -0.842 57.328 58.200 -0.050 0.000 0.835 197 S CB 1.596 64.774 63.200 -0.037 0.000 1.122 197 S HN 1.610 nan 8.310 nan 0.000 0.462 198 F N -1.897 118.010 119.950 -0.071 0.000 2.713 198 F HA 0.854 5.380 4.527 -0.001 0.000 0.311 198 F C 0.639 176.552 175.800 0.188 0.000 1.141 198 F CA -0.303 57.746 58.000 0.081 0.000 0.939 198 F CB 0.967 39.985 39.000 0.030 0.000 1.325 198 F HN 1.504 nan 8.300 nan 0.000 0.453 199 G N 0.522 109.577 108.800 0.426 0.000 2.137 199 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.237 199 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.237 199 G C 0.601 175.674 174.900 0.290 0.000 1.002 199 G CA 0.467 45.764 45.100 0.328 0.000 0.702 199 G HN 1.130 nan 8.290 nan 0.000 0.515 200 E N -0.836 119.550 120.200 0.311 0.000 2.110 200 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 200 E C 2.483 178.998 176.600 -0.142 0.000 0.988 200 E CA 1.283 57.688 56.400 0.007 0.000 0.804 200 E CB -0.098 29.545 29.700 -0.095 0.000 0.745 200 E HN 0.535 nan 8.360 nan 0.000 0.458 201 L N 0.745 121.906 121.223 -0.103 0.000 2.187 201 L HA -0.132 4.208 4.340 -0.001 0.000 0.213 201 L C 2.165 178.858 176.870 -0.295 0.000 1.100 201 L CA 1.883 56.586 54.840 -0.228 0.000 0.765 201 L CB -0.632 41.286 42.059 -0.235 0.000 0.904 201 L HN 0.170 nan 8.230 nan 0.000 0.437 202 A N -0.821 121.903 122.820 -0.160 0.000 2.024 202 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 202 A C 2.200 179.709 177.584 -0.125 0.000 1.164 202 A CA 1.770 53.739 52.037 -0.112 0.000 0.643 202 A CB -0.818 18.176 19.000 -0.010 0.000 0.806 202 A HN 0.507 nan 8.150 nan 0.000 0.451 203 L N -0.575 120.515 121.223 -0.222 0.000 2.362 203 L HA -0.099 4.240 4.340 -0.001 0.000 0.219 203 L C 2.227 178.970 176.870 -0.212 0.000 1.134 203 L CA 1.278 55.908 54.840 -0.350 0.000 0.807 203 L CB -0.400 41.144 42.059 -0.858 0.000 0.927 203 L HN 0.700 nan 8.230 nan 0.000 0.447 204 I N -3.994 116.499 120.570 -0.128 0.000 4.032 204 I HA 0.153 4.322 4.170 -0.001 0.000 0.313 204 I C 0.303 176.584 176.117 0.274 0.000 1.272 204 I CA -0.359 60.987 61.300 0.077 0.000 1.307 204 I CB 0.545 38.614 38.000 0.115 0.000 1.155 204 I HN 0.010 nan 8.210 nan 0.000 0.431 205 Y N -0.125 120.187 120.300 0.021 0.000 2.677 205 Y HA 0.753 5.302 4.550 -0.001 0.000 0.334 205 Y C -0.288 175.636 175.900 0.040 0.000 1.196 205 Y CA -1.746 56.379 58.100 0.041 0.000 1.059 205 Y CB 0.128 38.609 38.460 0.035 0.000 1.315 205 Y HN -0.048 nan 8.280 nan 0.000 0.455 206 G N 1.292 110.205 108.800 0.189 0.000 2.358 206 G HA2 0.508 4.467 3.960 -0.001 0.000 0.273 206 G HA3 0.508 4.467 3.960 -0.001 0.000 0.273 206 G C -0.641 174.344 174.900 0.141 0.000 1.215 206 G CA 0.261 45.426 45.100 0.108 0.000 0.910 206 G HN 1.030 nan 8.290 nan 0.000 0.467 207 T N 0.886 115.467 114.554 0.045 0.000 2.883 207 T HA 0.644 4.994 4.350 -0.001 0.000 0.301 207 T C -3.173 171.553 174.700 0.044 0.000 1.158 207 T CA -1.805 60.336 62.100 0.069 0.000 1.007 207 T CB 2.307 71.205 68.868 0.050 0.000 1.186 207 T HN 0.201 nan 8.240 nan 0.000 0.499 208 P HA 0.234 nan 4.420 nan 0.000 0.268 208 P C -0.231 177.093 177.300 0.039 0.000 1.205 208 P CA -0.506 62.621 63.100 0.046 0.000 0.771 208 P CB 0.382 32.108 31.700 0.043 0.000 0.858 209 R N 2.468 122.996 120.500 0.046 0.000 2.570 209 R HA 0.140 4.479 4.340 -0.001 0.000 0.277 209 R C 1.183 177.500 176.300 0.029 0.000 1.039 209 R CA 0.055 56.184 56.100 0.047 0.000 1.065 209 R CB -0.289 30.048 30.300 0.061 0.000 0.964 209 R HN 0.512 nan 8.270 nan 0.000 0.428 210 A N 1.354 124.187 122.820 0.021 0.000 2.218 210 A HA 0.348 4.667 4.320 -0.001 0.000 0.209 210 A C 0.532 178.113 177.584 -0.005 0.000 1.168 210 A CA 1.029 53.071 52.037 0.009 0.000 0.804 210 A CB 0.249 19.252 19.000 0.006 0.000 0.834 210 A HN 0.723 nan 8.150 nan 0.000 0.482 211 A N -2.024 120.790 122.820 -0.011 0.000 2.609 211 A HA 0.630 4.949 4.320 -0.001 0.000 0.291 211 A C -0.540 177.026 177.584 -0.029 0.000 1.096 211 A CA -0.349 51.670 52.037 -0.030 0.000 0.684 211 A CB 0.425 19.379 19.000 -0.077 0.000 1.282 211 A HN 0.020 nan 8.150 nan 0.000 0.412 212 T N 1.240 115.788 114.554 -0.009 0.000 2.767 212 T HA 0.541 4.891 4.350 -0.001 0.000 0.284 212 T C -0.553 174.128 174.700 -0.031 0.000 0.973 212 T CA -0.151 61.942 62.100 -0.011 0.000 0.996 212 T CB 0.817 69.691 68.868 0.010 0.000 0.927 212 T HN 0.605 nan 8.240 nan 0.000 0.456 213 V N 4.965 124.789 119.914 -0.151 0.000 2.417 213 V HA 0.486 4.606 4.120 -0.001 0.000 0.291 213 V C 0.094 176.056 176.094 -0.221 0.000 1.024 213 V CA -0.814 61.319 62.300 -0.278 0.000 0.861 213 V CB 1.465 32.887 31.823 -0.670 0.000 0.985 213 V HN 0.719 nan 8.190 nan 0.000 0.436 214 K N 2.572 122.908 120.400 -0.106 0.000 2.259 214 K HA 0.785 5.105 4.320 -0.001 0.000 0.249 214 K C -0.259 176.280 176.600 -0.102 0.000 0.942 214 K CA -0.684 55.553 56.287 -0.083 0.000 0.816 214 K CB 2.348 34.888 32.500 0.067 0.000 1.155 214 K HN 0.787 nan 8.250 nan 0.000 0.428 215 A N 2.561 125.304 122.820 -0.128 0.000 2.444 215 A HA 0.059 4.378 4.320 -0.001 0.000 0.273 215 A C 0.902 178.487 177.584 0.001 0.000 1.136 215 A CA 0.167 52.162 52.037 -0.070 0.000 0.799 215 A CB 0.224 19.207 19.000 -0.028 0.000 1.081 215 A HN 0.880 nan 8.150 nan 0.000 0.509 216 K N 1.515 121.923 120.400 0.012 0.000 2.099 216 K HA -0.020 4.300 4.320 -0.001 0.000 0.203 216 K C 1.059 177.673 176.600 0.023 0.000 1.047 216 K CA 1.612 57.918 56.287 0.033 0.000 0.963 216 K CB 0.028 32.551 32.500 0.039 0.000 0.759 216 K HN 0.863 nan 8.250 nan 0.000 0.451 217 T N -0.660 113.905 114.554 0.019 0.000 2.910 217 T HA 0.284 4.633 4.350 -0.001 0.000 0.279 217 T C -0.064 174.654 174.700 0.030 0.000 0.989 217 T CA -1.049 61.062 62.100 0.020 0.000 0.968 217 T CB 0.771 69.648 68.868 0.016 0.000 1.135 217 T HN -0.050 nan 8.240 nan 0.000 0.562 218 N N 0.957 119.675 118.700 0.030 0.000 2.454 218 N HA 0.330 5.070 4.740 -0.001 0.000 0.260 218 N C -0.216 175.320 175.510 0.044 0.000 1.218 218 N CA -0.240 52.835 53.050 0.042 0.000 0.904 218 N CB 0.730 39.232 38.487 0.025 0.000 1.065 218 N HN 0.732 nan 8.380 nan 0.000 0.462 219 V N 0.244 120.204 119.914 0.077 0.000 2.864 219 V HA 0.592 4.711 4.120 -0.001 0.000 0.314 219 V C -0.426 175.705 176.094 0.063 0.000 1.073 219 V CA -0.894 61.445 62.300 0.066 0.000 0.956 219 V CB 2.137 33.995 31.823 0.058 0.000 1.023 219 V HN 0.571 nan 8.190 nan 0.000 0.435 220 K N 4.330 124.724 120.400 -0.009 0.000 2.376 220 K HA 0.684 5.004 4.320 -0.001 0.000 0.257 220 K C -1.498 175.010 176.600 -0.154 0.000 0.939 220 K CA -0.750 55.472 56.287 -0.108 0.000 0.809 220 K CB 1.694 34.083 32.500 -0.185 0.000 1.121 220 K HN 0.867 nan 8.250 nan 0.000 0.425 221 L N 3.212 124.323 121.223 -0.186 0.000 2.322 221 L HA 0.556 4.895 4.340 -0.001 0.000 0.269 221 L C -0.988 175.634 176.870 -0.414 0.000 1.012 221 L CA -1.101 53.632 54.840 -0.179 0.000 0.815 221 L CB 1.474 43.521 42.059 -0.021 0.000 1.295 221 L HN 0.629 nan 8.230 nan 0.000 0.438 222 W N 0.193 121.444 121.300 -0.082 0.000 2.529 222 W HA 0.652 5.311 4.660 -0.001 0.000 0.321 222 W C 0.275 176.604 176.519 -0.318 0.000 1.047 222 W CA -0.505 56.736 57.345 -0.175 0.000 1.216 222 W CB 2.042 31.400 29.460 -0.171 0.000 1.357 222 W HN 0.428 nan 8.180 nan 0.000 0.489 223 G N 2.390 110.918 108.800 -0.452 0.000 2.481 223 G HA2 0.742 4.702 3.960 -0.001 0.000 0.315 223 G HA3 0.742 4.702 3.960 -0.001 0.000 0.315 223 G C -2.106 172.213 174.900 -0.967 0.000 1.231 223 G CA -0.803 43.744 45.100 -0.923 0.000 0.968 223 G HN 0.401 nan 8.290 nan 0.000 0.482 224 I N 0.872 121.187 120.570 -0.425 0.000 2.619 224 I HA 0.366 4.536 4.170 -0.001 0.000 0.292 224 I C -0.860 175.324 176.117 0.112 0.000 1.100 224 I CA -1.040 60.256 61.300 -0.008 0.000 1.043 224 I CB 2.195 40.304 38.000 0.183 0.000 1.239 224 I HN 0.648 nan 8.210 nan 0.000 0.420 225 D N 6.183 126.748 120.400 0.276 0.000 2.283 225 D HA 0.197 4.836 4.640 -0.001 0.000 0.248 225 D C 0.728 177.123 176.300 0.158 0.000 1.072 225 D CA -0.547 53.580 54.000 0.212 0.000 0.929 225 D CB 1.474 42.424 40.800 0.250 0.000 1.182 225 D HN 0.659 nan 8.370 nan 0.000 0.433 226 R N 0.990 121.560 120.500 0.118 0.000 2.096 226 R HA -0.251 4.088 4.340 -0.001 0.000 0.240 226 R C 1.503 177.893 176.300 0.151 0.000 1.139 226 R CA 2.311 58.480 56.100 0.115 0.000 0.952 226 R CB -0.352 30.017 30.300 0.115 0.000 0.854 226 R HN 0.644 nan 8.270 nan 0.000 0.436 227 D N -0.713 119.789 120.400 0.169 0.000 2.117 227 D HA -0.113 4.527 4.640 -0.001 0.000 0.197 227 D C 1.610 177.924 176.300 0.023 0.000 0.987 227 D CA 1.786 55.892 54.000 0.177 0.000 0.829 227 D CB 0.082 41.011 40.800 0.215 0.000 0.961 227 D HN 0.191 nan 8.370 nan 0.000 0.460 228 S N -1.107 114.630 115.700 0.063 0.000 2.355 228 S HA -0.150 4.319 4.470 -0.001 0.000 0.222 228 S C 1.658 176.158 174.600 -0.167 0.000 1.031 228 S CA 0.853 59.028 58.200 -0.041 0.000 0.993 228 S CB -0.680 62.631 63.200 0.185 0.000 0.859 228 S HN 0.458 nan 8.310 nan 0.000 0.453 229 Y N 2.981 123.191 120.300 -0.149 0.000 2.097 229 Y HA -0.224 4.325 4.550 -0.001 0.000 0.282 229 Y C 2.438 178.155 175.900 -0.305 0.000 1.152 229 Y CA 1.650 59.626 58.100 -0.206 0.000 1.136 229 Y CB -0.125 38.233 38.460 -0.170 0.000 0.975 229 Y HN 0.005 nan 8.280 nan 0.000 0.498 230 R N 0.460 120.798 120.500 -0.270 0.000 2.081 230 R HA -0.108 4.231 4.340 -0.001 0.000 0.235 230 R C 2.304 178.231 176.300 -0.623 0.000 1.131 230 R CA 1.754 57.553 56.100 -0.501 0.000 0.960 230 R CB -0.639 29.271 30.300 -0.650 0.000 0.856 230 R HN 0.463 nan 8.270 nan 0.000 0.436 231 R N 0.077 120.207 120.500 -0.616 0.000 2.119 231 R HA 0.086 4.426 4.340 -0.001 0.000 0.222 231 R C 2.450 178.392 176.300 -0.596 0.000 1.088 231 R CA 0.720 56.456 56.100 -0.608 0.000 0.984 231 R CB -0.283 29.625 30.300 -0.653 0.000 0.884 231 R HN 0.201 nan 8.270 nan 0.000 0.447 232 I N 0.836 121.009 120.570 -0.661 0.000 2.179 232 I HA -0.305 3.864 4.170 -0.001 0.000 0.242 232 I C 2.019 177.924 176.117 -0.354 0.000 1.088 232 I CA 1.193 62.244 61.300 -0.415 0.000 1.357 232 I CB -0.221 37.589 38.000 -0.317 0.000 1.051 232 I HN 0.060 nan 8.210 nan 0.000 0.409 233 L N -0.340 120.602 121.223 -0.468 0.000 2.046 233 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 233 L C 2.508 179.193 176.870 -0.309 0.000 1.077 233 L CA 1.880 56.467 54.840 -0.423 0.000 0.747 233 L CB -0.674 41.040 42.059 -0.574 0.000 0.896 233 L HN 0.264 nan 8.230 nan 0.000 0.432 234 M N -1.266 118.143 119.600 -0.320 0.000 2.117 234 M HA -0.123 4.357 4.480 -0.001 0.000 0.262 234 M C 2.087 178.285 176.300 -0.170 0.000 1.065 234 M CA 2.065 57.226 55.300 -0.232 0.000 1.114 234 M CB -0.504 31.950 32.600 -0.244 0.000 1.361 234 M HN 0.256 nan 8.290 nan 0.000 0.408 235 G N -0.949 107.752 108.800 -0.165 0.000 2.404 235 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.215 235 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.215 235 G C 1.469 176.303 174.900 -0.110 0.000 1.174 235 G CA 1.011 46.050 45.100 -0.102 0.000 0.780 235 G HN 0.530 nan 8.290 nan 0.000 0.537 236 S N 0.122 115.741 115.700 -0.134 0.000 2.359 236 S HA -0.217 4.252 4.470 -0.001 0.000 0.224 236 S C 2.575 177.086 174.600 -0.149 0.000 1.035 236 S CA 2.668 60.789 58.200 -0.131 0.000 1.018 236 S CB -0.820 62.296 63.200 -0.140 0.000 0.876 236 S HN 0.533 nan 8.310 nan 0.000 0.448 237 T N 0.580 115.041 114.554 -0.155 0.000 2.904 237 T HA 0.086 4.435 4.350 -0.001 0.000 0.267 237 T C 1.902 176.506 174.700 -0.160 0.000 1.059 237 T CA 1.160 63.168 62.100 -0.154 0.000 1.137 237 T CB -0.512 68.279 68.868 -0.128 0.000 0.879 237 T HN 0.424 nan 8.240 nan 0.000 0.467 238 L N 0.176 121.318 121.223 -0.135 0.000 2.042 238 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 238 L C 3.288 180.066 176.870 -0.152 0.000 1.076 238 L CA 1.652 56.419 54.840 -0.122 0.000 0.749 238 L CB -0.464 41.542 42.059 -0.088 0.000 0.893 238 L HN 0.242 nan 8.230 nan 0.000 0.432 239 R N -0.035 120.372 120.500 -0.155 0.000 2.081 239 R HA -0.162 4.178 4.340 -0.001 0.000 0.235 239 R C 2.337 178.471 176.300 -0.278 0.000 1.131 239 R CA 1.297 57.294 56.100 -0.173 0.000 0.960 239 R CB -0.194 30.028 30.300 -0.129 0.000 0.856 239 R HN 0.365 nan 8.270 nan 0.000 0.436 240 K N 0.277 120.460 120.400 -0.361 0.000 2.002 240 K HA -0.116 4.203 4.320 -0.001 0.000 0.209 240 K C 2.210 178.276 176.600 -0.889 0.000 1.048 240 K CA 1.266 57.126 56.287 -0.712 0.000 0.930 240 K CB -0.124 31.981 32.500 -0.659 0.000 0.714 240 K HN 0.108 nan 8.250 nan 0.000 0.438 241 R N 1.071 121.279 120.500 -0.487 0.000 2.096 241 R HA -0.205 4.134 4.340 -0.001 0.000 0.240 241 R C 2.404 178.577 176.300 -0.212 0.000 1.139 241 R CA 1.802 57.739 56.100 -0.272 0.000 0.952 241 R CB -0.261 29.959 30.300 -0.133 0.000 0.854 241 R HN 0.167 nan 8.270 nan 0.000 0.436 242 K N 0.825 121.094 120.400 -0.219 0.000 2.026 242 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 242 K C 2.195 178.662 176.600 -0.221 0.000 1.048 242 K CA 1.511 57.693 56.287 -0.175 0.000 0.929 242 K CB -0.106 32.304 32.500 -0.150 0.000 0.713 242 K HN 0.070 nan 8.250 nan 0.000 0.439 243 M N -0.139 119.268 119.600 -0.322 0.000 2.086 243 M HA -0.205 4.275 4.480 -0.001 0.000 0.261 243 M C 1.647 177.681 176.300 -0.444 0.000 1.067 243 M CA 1.695 56.708 55.300 -0.478 0.000 1.116 243 M CB -0.232 32.087 32.600 -0.469 0.000 1.348 243 M HN 0.287 nan 8.290 nan 0.000 0.407 244 Y N 0.208 120.342 120.300 -0.275 0.000 2.181 244 Y HA -0.249 4.300 4.550 -0.001 0.000 0.288 244 Y C 2.309 178.180 175.900 -0.048 0.000 1.146 244 Y CA 1.114 59.149 58.100 -0.109 0.000 1.164 244 Y CB -0.363 38.085 38.460 -0.020 0.000 0.982 244 Y HN 0.384 nan 8.280 nan 0.000 0.515 245 E N 0.468 120.715 120.200 0.079 0.000 2.077 245 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 245 E C 1.898 178.519 176.600 0.035 0.000 0.989 245 E CA 1.174 57.598 56.400 0.041 0.000 0.800 245 E CB -0.096 29.594 29.700 -0.017 0.000 0.746 245 E HN 0.492 nan 8.360 nan 0.000 0.452 246 E N 0.012 120.200 120.200 -0.020 0.000 2.038 246 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 246 E C 1.753 178.484 176.600 0.219 0.000 1.000 246 E CA 1.271 57.688 56.400 0.030 0.000 0.803 246 E CB -0.069 29.593 29.700 -0.065 0.000 0.750 246 E HN 0.164 nan 8.360 nan 0.000 0.448 247 F N 0.291 120.312 119.950 0.118 0.000 2.134 247 F HA -0.109 4.417 4.527 -0.001 0.000 0.299 247 F C 2.095 177.963 175.800 0.113 0.000 1.097 247 F CA 0.856 58.940 58.000 0.140 0.000 1.264 247 F CB -0.876 38.223 39.000 0.165 0.000 1.001 247 F HN 0.048 nan 8.300 nan 0.000 0.479 248 L N -0.093 121.297 121.223 0.278 0.000 2.201 248 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 248 L C 2.514 179.428 176.870 0.073 0.000 1.105 248 L CA 1.422 56.349 54.840 0.145 0.000 0.775 248 L CB -0.749 41.380 42.059 0.116 0.000 0.913 248 L HN 0.223 nan 8.230 nan 0.000 0.440 249 S N -0.849 114.907 115.700 0.094 0.000 2.447 249 S HA -0.092 4.377 4.470 -0.001 0.000 0.233 249 S C 1.695 176.341 174.600 0.076 0.000 1.006 249 S CA 0.533 58.771 58.200 0.063 0.000 0.957 249 S CB -0.096 63.138 63.200 0.056 0.000 0.773 249 S HN 0.319 nan 8.310 nan 0.000 0.507 250 K N 1.176 121.647 120.400 0.119 0.000 2.374 250 K HA 0.324 4.643 4.320 -0.001 0.000 0.196 250 K C -0.070 176.604 176.600 0.123 0.000 1.023 250 K CA -0.010 56.368 56.287 0.151 0.000 1.103 250 K CB 0.192 32.827 32.500 0.226 0.000 0.848 250 K HN 0.303 nan 8.250 nan 0.000 0.528 251 V N 2.503 122.374 119.914 -0.072 0.000 2.439 251 V HA -0.016 4.104 4.120 -0.001 0.000 0.271 251 V C 1.394 177.417 176.094 -0.117 0.000 1.040 251 V CA 0.239 62.300 62.300 -0.398 0.000 1.002 251 V CB 1.116 32.615 31.823 -0.539 0.000 1.000 251 V HN 0.221 nan 8.190 nan 0.000 0.477 252 S N 4.341 120.082 115.700 0.068 0.000 2.356 252 S HA -0.154 4.315 4.470 -0.001 0.000 0.223 252 S C 1.782 176.460 174.600 0.130 0.000 1.032 252 S CA 1.281 59.593 58.200 0.187 0.000 1.005 252 S CB -0.297 63.114 63.200 0.352 0.000 0.867 252 S HN 0.769 nan 8.310 nan 0.000 0.449 253 I N 1.007 121.569 120.570 -0.014 0.000 2.567 253 I HA -0.063 4.107 4.170 -0.001 0.000 0.257 253 I C 0.865 176.840 176.117 -0.237 0.000 1.184 253 I CA 1.088 62.184 61.300 -0.341 0.000 1.451 253 I CB 0.073 37.664 38.000 -0.682 0.000 1.089 253 I HN 0.231 nan 8.210 nan 0.000 0.441 254 L N -0.466 120.650 121.223 -0.178 0.000 2.700 254 L HA 0.117 4.456 4.340 -0.001 0.000 0.234 254 L C 1.727 178.575 176.870 -0.037 0.000 1.156 254 L CA -0.054 54.721 54.840 -0.109 0.000 0.946 254 L CB -0.171 41.803 42.059 -0.143 0.000 1.216 254 L HN 0.123 nan 8.230 nan 0.000 0.493 255 E N 0.609 120.804 120.200 -0.009 0.000 2.160 255 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 255 E C 1.744 178.356 176.600 0.021 0.000 0.991 255 E CA 1.333 57.746 56.400 0.022 0.000 0.810 255 E CB 0.221 29.954 29.700 0.056 0.000 0.742 255 E HN 0.301 nan 8.360 nan 0.000 0.466 256 S N -0.061 115.652 115.700 0.020 0.000 2.593 256 S HA 0.071 4.541 4.470 -0.001 0.000 0.217 256 S C 0.029 174.638 174.600 0.014 0.000 0.966 256 S CA -0.370 57.842 58.200 0.020 0.000 0.914 256 S CB 0.155 63.370 63.200 0.024 0.000 0.776 256 S HN 0.079 nan 8.310 nan 0.000 0.523 257 L N 2.807 124.036 121.223 0.010 0.000 2.483 257 L HA 0.169 4.508 4.340 -0.001 0.000 0.276 257 L C 0.568 177.438 176.870 0.000 0.000 1.213 257 L CA 0.259 55.103 54.840 0.006 0.000 0.843 257 L CB 0.082 42.142 42.059 0.003 0.000 1.107 257 L HN 0.085 nan 8.230 nan 0.000 0.487 258 D N 2.164 122.569 120.400 0.008 0.000 2.384 258 D HA 0.037 4.676 4.640 -0.001 0.000 0.244 258 D C 1.086 177.350 176.300 -0.060 0.000 1.251 258 D CA -0.305 53.691 54.000 -0.006 0.000 0.961 258 D CB 0.520 41.360 40.800 0.066 0.000 1.116 258 D HN 0.418 nan 8.370 nan 0.000 0.484 259 K N 0.228 120.524 120.400 -0.172 0.000 2.148 259 K HA -0.150 4.170 4.320 -0.001 0.000 0.204 259 K C 1.971 178.411 176.600 -0.267 0.000 1.050 259 K CA 1.088 57.204 56.287 -0.286 0.000 0.942 259 K CB -0.565 31.659 32.500 -0.459 0.000 0.724 259 K HN 0.540 nan 8.250 nan 0.000 0.446 260 W N 1.974 123.260 121.300 -0.023 0.000 2.409 260 W HA -0.019 4.641 4.660 -0.001 0.000 0.299 260 W C 2.245 178.738 176.519 -0.043 0.000 1.203 260 W CA 0.702 58.028 57.345 -0.031 0.000 1.298 260 W CB -0.024 29.417 29.460 -0.033 0.000 1.127 260 W HN 0.202 nan 8.180 nan 0.000 0.528 261 E N 0.211 120.504 120.200 0.155 0.000 2.150 261 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 261 E C 2.106 178.709 176.600 0.005 0.000 0.985 261 E CA 0.871 57.295 56.400 0.040 0.000 0.814 261 E CB -0.231 29.467 29.700 -0.003 0.000 0.752 261 E HN 0.252 nan 8.360 nan 0.000 0.466 262 R N 0.351 120.855 120.500 0.006 0.000 2.081 262 R HA -0.141 4.199 4.340 -0.001 0.000 0.235 262 R C 2.411 178.726 176.300 0.025 0.000 1.131 262 R CA 0.883 56.986 56.100 0.004 0.000 0.960 262 R CB -0.311 29.980 30.300 -0.014 0.000 0.856 262 R HN 0.134 nan 8.270 nan 0.000 0.436 263 L N 0.790 122.034 121.223 0.034 0.000 2.012 263 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 263 L C 1.857 178.767 176.870 0.068 0.000 1.073 263 L CA 2.021 56.900 54.840 0.065 0.000 0.748 263 L CB -0.904 41.227 42.059 0.120 0.000 0.891 263 L HN 0.087 nan 8.230 nan 0.000 0.431 264 T N -0.854 113.735 114.554 0.058 0.000 2.665 264 T HA -0.234 4.116 4.350 -0.001 0.000 0.268 264 T C 1.964 176.656 174.700 -0.013 0.000 1.035 264 T CA 2.061 64.167 62.100 0.010 0.000 1.151 264 T CB -0.741 68.109 68.868 -0.031 0.000 0.862 264 T HN 0.373 nan 8.240 nan 0.000 0.438 265 V N 1.357 121.259 119.914 -0.020 0.000 2.548 265 V HA 0.041 4.161 4.120 -0.001 0.000 0.249 265 V C 2.567 178.691 176.094 0.051 0.000 1.055 265 V CA 1.727 64.026 62.300 -0.000 0.000 1.065 265 V CB -1.128 30.703 31.823 0.014 0.000 0.681 265 V HN 0.474 nan 8.190 nan 0.000 0.462 266 A N 0.041 122.912 122.820 0.085 0.000 1.940 266 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 266 A C 1.894 179.584 177.584 0.175 0.000 1.176 266 A CA 2.254 54.393 52.037 0.169 0.000 0.631 266 A CB -0.826 18.288 19.000 0.189 0.000 0.814 266 A HN 0.630 nan 8.150 nan 0.000 0.446 267 D N -0.436 120.025 120.400 0.103 0.000 2.194 267 D HA 0.109 4.749 4.640 -0.001 0.000 0.204 267 D C 2.074 178.405 176.300 0.052 0.000 0.964 267 D CA 1.200 55.248 54.000 0.080 0.000 0.846 267 D CB -0.280 40.548 40.800 0.047 0.000 0.962 267 D HN 0.422 nan 8.370 nan 0.000 0.490 268 A N 0.345 123.183 122.820 0.029 0.000 2.066 268 A HA 0.029 4.349 4.320 -0.001 0.000 0.218 268 A C 1.176 178.766 177.584 0.009 0.000 1.157 268 A CA 0.133 52.177 52.037 0.013 0.000 0.670 268 A CB -0.447 18.551 19.000 -0.002 0.000 0.804 268 A HN 0.169 nan 8.150 nan 0.000 0.453 269 L N 1.120 122.342 121.223 -0.003 0.000 2.483 269 L HA 0.103 4.443 4.340 -0.001 0.000 0.276 269 L C 0.460 177.298 176.870 -0.053 0.000 1.213 269 L CA 0.078 54.876 54.840 -0.071 0.000 0.843 269 L CB 0.336 42.253 42.059 -0.237 0.000 1.107 269 L HN 0.557 nan 8.230 nan 0.000 0.487 270 E N 3.166 123.325 120.200 -0.068 0.000 2.272 270 E HA 0.495 4.845 4.350 -0.001 0.000 0.269 270 E C -2.817 173.764 176.600 -0.032 0.000 0.877 270 E CA -2.536 53.846 56.400 -0.030 0.000 0.755 270 E CB 1.951 31.643 29.700 -0.013 0.000 1.192 270 E HN 0.175 nan 8.360 nan 0.000 0.422 271 P HA 0.098 nan 4.420 nan 0.000 0.271 271 P C -0.829 176.470 177.300 -0.002 0.000 1.216 271 P CA -0.401 62.709 63.100 0.017 0.000 0.776 271 P CB 1.058 32.784 31.700 0.043 0.000 0.881 272 V N 3.274 123.188 119.914 0.001 0.000 2.817 272 V HA 0.386 4.506 4.120 -0.001 0.000 0.303 272 V C -1.367 174.619 176.094 -0.181 0.000 1.151 272 V CA -0.497 61.745 62.300 -0.097 0.000 0.929 272 V CB 2.005 33.826 31.823 -0.003 0.000 1.030 272 V HN 0.675 nan 8.190 nan 0.000 0.427 273 Q N 5.035 124.607 119.800 -0.381 0.000 2.413 273 Q HA 0.783 5.122 4.340 -0.001 0.000 0.276 273 Q C -1.872 173.760 176.000 -0.615 0.000 1.099 273 Q CA -0.741 54.879 55.803 -0.305 0.000 0.814 273 Q CB 2.848 31.529 28.738 -0.096 0.000 1.379 273 Q HN 0.542 nan 8.270 nan 0.000 0.436 274 F N -0.143 119.818 119.950 0.018 0.000 2.576 274 F HA 0.395 4.922 4.527 -0.001 0.000 0.313 274 F C -0.046 175.750 175.800 -0.007 0.000 1.078 274 F CA -0.910 57.089 58.000 -0.000 0.000 0.921 274 F CB 2.259 41.247 39.000 -0.019 0.000 1.232 274 F HN 0.481 nan 8.300 nan 0.000 0.459 275 E N 0.217 120.507 120.200 0.151 0.000 2.283 275 E HA 0.141 4.490 4.350 -0.001 0.000 0.271 275 E C -1.204 175.436 176.600 0.066 0.000 1.031 275 E CA -0.992 55.455 56.400 0.078 0.000 0.868 275 E CB 1.106 30.832 29.700 0.043 0.000 1.094 275 E HN 0.502 nan 8.360 nan 0.000 0.401 276 D N 0.392 120.812 120.400 0.033 0.000 2.772 276 D HA -0.058 4.581 4.640 -0.001 0.000 0.227 276 D C 0.967 177.264 176.300 -0.006 0.000 1.114 276 D CA 2.192 56.196 54.000 0.007 0.000 0.832 276 D CB 0.042 40.841 40.800 -0.002 0.000 1.154 276 D HN 0.657 nan 8.370 nan 0.000 0.514 277 G N 2.950 111.732 108.800 -0.030 0.000 2.213 277 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.236 277 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.236 277 G C 0.236 175.104 174.900 -0.053 0.000 0.991 277 G CA 0.174 45.245 45.100 -0.049 0.000 0.629 277 G HN 0.622 nan 8.290 nan 0.000 0.517 278 Q N 1.017 120.806 119.800 -0.018 0.000 2.313 278 Q HA 0.399 4.739 4.340 -0.001 0.000 0.266 278 Q C 0.068 176.002 176.000 -0.109 0.000 0.989 278 Q CA 0.219 56.022 55.803 -0.001 0.000 0.890 278 Q CB 0.624 29.446 28.738 0.141 0.000 1.200 278 Q HN 0.394 nan 8.270 nan 0.000 0.396 279 K N 2.547 122.872 120.400 -0.125 0.000 2.339 279 K HA 0.079 4.398 4.320 -0.001 0.000 0.286 279 K C 0.337 176.774 176.600 -0.272 0.000 1.050 279 K CA -0.183 55.978 56.287 -0.209 0.000 0.956 279 K CB 0.707 33.107 32.500 -0.166 0.000 0.990 279 K HN 0.472 nan 8.250 nan 0.000 0.475 280 I N 2.245 122.527 120.570 -0.479 0.000 2.339 280 I HA -0.120 4.050 4.170 -0.001 0.000 0.245 280 I C 0.627 176.535 176.117 -0.349 0.000 1.096 280 I CA 0.575 61.461 61.300 -0.690 0.000 1.408 280 I CB 0.158 37.533 38.000 -1.042 0.000 1.092 280 I HN 0.418 nan 8.210 nan 0.000 0.423 281 V N -2.093 117.672 119.914 -0.248 0.000 2.962 281 V HA 0.724 4.844 4.120 -0.001 0.000 0.313 281 V C -0.679 175.361 176.094 -0.091 0.000 1.099 281 V CA -0.915 61.341 62.300 -0.073 0.000 0.971 281 V CB 2.132 33.990 31.823 0.059 0.000 1.028 281 V HN -0.208 nan 8.190 nan 0.000 0.430 282 V N 2.856 122.753 119.914 -0.028 0.000 2.540 282 V HA 0.450 4.570 4.120 -0.001 0.000 0.302 282 V C 0.113 176.226 176.094 0.031 0.000 1.035 282 V CA -0.477 61.806 62.300 -0.029 0.000 0.873 282 V CB 1.543 33.355 31.823 -0.019 0.000 0.992 282 V HN 1.119 nan 8.190 nan 0.000 0.428 283 Q N 2.378 122.220 119.800 0.070 0.000 2.286 283 Q HA 0.314 4.653 4.340 -0.001 0.000 0.290 283 Q C 1.233 177.294 176.000 0.102 0.000 1.049 283 Q CA 1.408 57.281 55.803 0.117 0.000 0.923 283 Q CB 0.375 29.251 28.738 0.230 0.000 1.183 283 Q HN 1.239 nan 8.270 nan 0.000 0.383 284 G N 2.869 111.713 108.800 0.073 0.000 2.241 284 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.244 284 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.244 284 G C -0.145 174.787 174.900 0.053 0.000 0.998 284 G CA 0.142 45.276 45.100 0.057 0.000 0.621 284 G HN 0.627 nan 8.290 nan 0.000 0.519 285 E N 1.933 122.168 120.200 0.058 0.000 2.392 285 E HA 0.384 4.734 4.350 -0.001 0.000 0.259 285 E C -1.958 174.677 176.600 0.059 0.000 1.108 285 E CA -1.381 55.053 56.400 0.055 0.000 0.916 285 E CB 0.783 30.517 29.700 0.057 0.000 0.989 285 E HN 0.330 nan 8.360 nan 0.000 0.432 286 P HA 0.289 nan 4.420 nan 0.000 0.276 286 P C -0.469 176.873 177.300 0.071 0.000 1.252 286 P CA -0.432 62.701 63.100 0.056 0.000 0.802 286 P CB 0.840 32.568 31.700 0.046 0.000 1.035 287 G N 0.238 109.082 108.800 0.073 0.000 2.753 287 G HA2 0.478 4.438 3.960 -0.001 0.000 0.297 287 G HA3 0.478 4.438 3.960 -0.001 0.000 0.297 287 G C -0.853 174.090 174.900 0.071 0.000 1.430 287 G CA -0.557 44.600 45.100 0.094 0.000 1.040 287 G HN 0.545 nan 8.290 nan 0.000 0.530 288 D N 0.303 120.743 120.400 0.066 0.000 2.620 288 D HA 0.118 4.758 4.640 -0.001 0.000 0.260 288 D C -0.083 176.220 176.300 0.005 0.000 1.367 288 D CA -0.108 53.909 54.000 0.028 0.000 0.805 288 D CB 0.552 41.364 40.800 0.020 0.000 1.096 288 D HN 0.417 nan 8.370 nan 0.000 0.488 289 E N 0.187 120.402 120.200 0.024 0.000 2.222 289 E HA 0.420 4.770 4.350 -0.001 0.000 0.267 289 E C -1.525 174.989 176.600 -0.144 0.000 0.884 289 E CA -0.975 55.352 56.400 -0.121 0.000 0.764 289 E CB 2.199 31.783 29.700 -0.194 0.000 1.169 289 E HN 0.091 nan 8.360 nan 0.000 0.413 290 F N 3.443 123.109 119.950 -0.473 0.000 2.443 290 F HA 0.579 5.106 4.527 -0.001 0.000 0.335 290 F C -1.547 173.817 175.800 -0.727 0.000 1.104 290 F CA -0.731 57.026 58.000 -0.404 0.000 1.013 290 F CB 0.582 39.422 39.000 -0.267 0.000 1.136 290 F HN 0.320 nan 8.300 nan 0.000 0.470 291 F N 6.119 125.354 119.950 -1.192 0.000 2.551 291 F HA 0.617 5.143 4.527 -0.001 0.000 0.316 291 F C -0.660 174.454 175.800 -1.143 0.000 1.089 291 F CA -0.895 56.440 58.000 -1.109 0.000 0.915 291 F CB 1.844 40.044 39.000 -1.333 0.000 1.186 291 F HN 0.206 nan 8.300 nan 0.000 0.456 292 I N 3.785 124.072 120.570 -0.472 0.000 2.465 292 I HA 0.406 4.575 4.170 -0.001 0.000 0.291 292 I C -0.585 175.520 176.117 -0.020 0.000 1.014 292 I CA -0.703 60.473 61.300 -0.206 0.000 1.093 292 I CB 1.970 39.928 38.000 -0.072 0.000 1.267 292 I HN 0.427 nan 8.210 nan 0.000 0.431 293 I N 6.249 126.835 120.570 0.028 0.000 2.441 293 I HA 0.126 4.295 4.170 -0.001 0.000 0.287 293 I C 0.830 176.993 176.117 0.077 0.000 1.049 293 I CA 0.051 61.398 61.300 0.078 0.000 1.381 293 I CB 0.981 39.021 38.000 0.066 0.000 1.409 293 I HN 0.596 nan 8.210 nan 0.000 0.523 294 L N 4.879 126.198 121.223 0.161 0.000 2.349 294 L HA 0.295 4.634 4.340 -0.001 0.000 0.200 294 L C 0.340 177.318 176.870 0.180 0.000 1.064 294 L CA 0.524 55.516 54.840 0.253 0.000 0.821 294 L CB 0.072 42.297 42.059 0.278 0.000 1.027 294 L HN 0.586 nan 8.230 nan 0.000 0.476 295 E N -0.708 119.571 120.200 0.133 0.000 2.331 295 E HA 0.545 4.895 4.350 -0.001 0.000 0.275 295 E C -0.605 176.041 176.600 0.077 0.000 0.895 295 E CA -0.190 56.270 56.400 0.099 0.000 0.753 295 E CB 2.568 32.325 29.700 0.095 0.000 1.216 295 E HN 0.151 nan 8.360 nan 0.000 0.434 296 G N 1.193 110.025 108.800 0.052 0.000 2.549 296 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.404 296 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.404 296 G C -0.768 174.138 174.900 0.011 0.000 1.292 296 G CA -0.620 44.500 45.100 0.034 0.000 0.935 296 G HN 0.445 nan 8.290 nan 0.000 0.512 297 S N -0.729 114.966 115.700 -0.009 0.000 2.566 297 S HA 0.941 5.410 4.470 -0.001 0.000 0.298 297 S C 0.200 174.757 174.600 -0.072 0.000 1.083 297 S CA 0.241 58.416 58.200 -0.041 0.000 0.978 297 S CB 1.773 64.948 63.200 -0.042 0.000 1.073 297 S HN 2.067 nan 8.310 nan 0.000 0.491 298 A N 1.110 123.860 122.820 -0.117 0.000 2.414 298 A HA 0.878 5.198 4.320 -0.001 0.000 0.306 298 A C -0.666 176.802 177.584 -0.193 0.000 1.054 298 A CA -0.749 51.175 52.037 -0.188 0.000 0.724 298 A CB 1.255 20.082 19.000 -0.288 0.000 1.267 298 A HN 1.025 nan 8.150 nan 0.000 0.418 299 A N 1.070 123.770 122.820 -0.200 0.000 2.301 299 A HA 0.636 4.956 4.320 -0.001 0.000 0.312 299 A C -0.438 177.011 177.584 -0.226 0.000 1.182 299 A CA -0.389 51.541 52.037 -0.178 0.000 0.826 299 A CB 0.569 19.483 19.000 -0.144 0.000 1.134 299 A HN 1.195 nan 8.150 nan 0.000 0.501 300 V N 3.897 123.695 119.914 -0.193 0.000 2.370 300 V HA 0.375 4.495 4.120 -0.001 0.000 0.279 300 V C -0.224 175.801 176.094 -0.114 0.000 1.029 300 V CA -0.073 62.113 62.300 -0.190 0.000 0.870 300 V CB 0.567 32.284 31.823 -0.176 0.000 0.984 300 V HN 0.698 nan 8.190 nan 0.000 0.451 301 L N 5.108 126.271 121.223 -0.099 0.000 2.362 301 L HA 0.656 4.995 4.340 -0.001 0.000 0.275 301 L C -0.432 176.536 176.870 0.163 0.000 0.998 301 L CA -0.402 54.439 54.840 0.000 0.000 0.820 301 L CB 2.014 44.002 42.059 -0.119 0.000 1.270 301 L HN 0.585 nan 8.230 nan 0.000 0.415 302 Q N 2.402 122.343 119.800 0.236 0.000 2.323 302 Q HA 0.397 4.737 4.340 -0.001 0.000 0.271 302 Q C -1.003 175.033 176.000 0.060 0.000 1.048 302 Q CA -0.888 55.029 55.803 0.190 0.000 0.792 302 Q CB 2.984 31.754 28.738 0.053 0.000 1.280 302 Q HN 0.482 nan 8.270 nan 0.000 0.441 303 R N 2.459 122.802 120.500 -0.262 0.000 2.202 303 R HA 0.228 4.568 4.340 -0.001 0.000 0.334 303 R C 0.134 176.287 176.300 -0.246 0.000 1.036 303 R CA 0.098 55.873 56.100 -0.543 0.000 0.878 303 R CB 0.533 30.181 30.300 -1.087 0.000 1.067 303 R HN 0.613 nan 8.270 nan 0.000 0.457 304 R N 1.633 122.031 120.500 -0.171 0.000 2.052 304 R HA 0.096 4.435 4.340 -0.001 0.000 0.224 304 R C 0.654 176.895 176.300 -0.098 0.000 1.149 304 R CA 0.918 56.957 56.100 -0.101 0.000 0.962 304 R CB -0.218 30.038 30.300 -0.073 0.000 0.856 304 R HN 0.472 nan 8.270 nan 0.000 0.433 305 S N -0.249 115.387 115.700 -0.106 0.000 2.608 305 S HA 0.142 4.612 4.470 -0.001 0.000 0.291 305 S C 0.711 175.244 174.600 -0.112 0.000 1.146 305 S CA -0.670 57.477 58.200 -0.089 0.000 1.043 305 S CB 1.550 64.709 63.200 -0.070 0.000 1.037 305 S HN 0.201 nan 8.310 nan 0.000 0.520 306 E N 2.129 122.278 120.200 -0.086 0.000 2.049 306 E HA -0.104 4.245 4.350 -0.001 0.000 0.198 306 E C 0.332 176.878 176.600 -0.090 0.000 1.007 306 E CA 1.503 57.852 56.400 -0.084 0.000 0.809 306 E CB 0.027 29.694 29.700 -0.055 0.000 0.749 306 E HN 0.620 nan 8.360 nan 0.000 0.450 307 N N 1.307 119.964 118.700 -0.072 0.000 3.271 307 N HA 0.105 4.845 4.740 -0.001 0.000 0.303 307 N C -0.554 174.914 175.510 -0.070 0.000 1.415 307 N CA 0.133 53.145 53.050 -0.063 0.000 1.159 307 N CB 0.741 39.201 38.487 -0.046 0.000 1.432 307 N HN 0.184 nan 8.380 nan 0.000 0.521 308 E N 0.089 120.228 120.200 -0.101 0.000 2.433 308 E HA 0.328 4.677 4.350 -0.001 0.000 0.264 308 E C -1.049 175.469 176.600 -0.135 0.000 0.960 308 E CA -0.634 55.705 56.400 -0.102 0.000 0.866 308 E CB 1.658 31.296 29.700 -0.103 0.000 1.615 308 E HN 0.027 nan 8.360 nan 0.000 0.442 309 E N -0.051 120.081 120.200 -0.113 0.000 2.227 309 E HA 0.352 4.701 4.350 -0.001 0.000 0.268 309 E C -1.251 175.266 176.600 -0.138 0.000 0.990 309 E CA -0.530 55.817 56.400 -0.087 0.000 0.856 309 E CB 0.672 30.366 29.700 -0.010 0.000 1.159 309 E HN 0.198 nan 8.360 nan 0.000 0.401 310 F N 1.335 121.268 119.950 -0.029 0.000 2.529 310 F HA 0.192 4.718 4.527 -0.001 0.000 0.365 310 F C 0.399 176.177 175.800 -0.037 0.000 1.102 310 F CA 0.010 57.989 58.000 -0.035 0.000 1.271 310 F CB 0.466 39.441 39.000 -0.041 0.000 1.120 310 F HN 0.120 nan 8.300 nan 0.000 0.579 311 V N 0.554 120.556 119.914 0.147 0.000 2.864 311 V HA 0.479 4.599 4.120 -0.001 0.000 0.314 311 V C -0.530 175.600 176.094 0.059 0.000 1.073 311 V CA -1.156 61.186 62.300 0.070 0.000 0.956 311 V CB 1.767 33.602 31.823 0.020 0.000 1.023 311 V HN 0.753 nan 8.190 nan 0.000 0.435 312 E N 1.578 121.788 120.200 0.018 0.000 2.257 312 E HA 0.363 4.713 4.350 -0.001 0.000 0.278 312 E C 0.461 177.050 176.600 -0.019 0.000 1.049 312 E CA -0.006 56.387 56.400 -0.012 0.000 0.876 312 E CB 1.711 31.393 29.700 -0.031 0.000 1.035 312 E HN 0.958 nan 8.360 nan 0.000 0.419 313 V N 1.184 121.082 119.914 -0.028 0.000 3.528 313 V HA 0.547 4.667 4.120 -0.001 0.000 0.294 313 V C 0.426 176.491 176.094 -0.049 0.000 1.404 313 V CA 0.470 62.751 62.300 -0.032 0.000 1.065 313 V CB 0.395 32.204 31.823 -0.024 0.000 0.904 313 V HN 0.567 nan 8.190 nan 0.000 0.435 314 G N -0.020 108.741 108.800 -0.065 0.000 2.489 314 G HA2 0.587 4.546 3.960 -0.001 0.000 0.291 314 G HA3 0.587 4.546 3.960 -0.001 0.000 0.291 314 G C -1.846 172.996 174.900 -0.098 0.000 1.487 314 G CA -0.995 44.058 45.100 -0.079 0.000 0.795 314 G HN 0.127 nan 8.290 nan 0.000 0.513 315 R N -0.380 120.062 120.500 -0.096 0.000 2.740 315 R HA 0.686 5.026 4.340 -0.001 0.000 0.282 315 R C -0.918 175.312 176.300 -0.116 0.000 0.969 315 R CA -0.755 55.282 56.100 -0.106 0.000 0.918 315 R CB 2.018 32.271 30.300 -0.079 0.000 1.175 315 R HN 0.454 nan 8.270 nan 0.000 0.464 316 L N 0.453 121.596 121.223 -0.134 0.000 2.354 316 L HA 0.776 5.115 4.340 -0.001 0.000 0.269 316 L C 0.658 177.476 176.870 -0.087 0.000 1.005 316 L CA -0.822 53.944 54.840 -0.123 0.000 0.819 316 L CB 2.339 44.300 42.059 -0.163 0.000 1.311 316 L HN 0.720 nan 8.230 nan 0.000 0.423 317 G N 1.015 109.772 108.800 -0.072 0.000 3.022 317 G HA2 0.644 4.603 3.960 -0.001 0.000 0.284 317 G HA3 0.644 4.603 3.960 -0.001 0.000 0.284 317 G C -3.036 171.828 174.900 -0.060 0.000 1.375 317 G CA -1.559 43.511 45.100 -0.051 0.000 0.902 317 G HN 0.249 nan 8.290 nan 0.000 0.538 318 P HA 0.071 nan 4.420 nan 0.000 0.263 318 P C 0.682 177.829 177.300 -0.255 0.000 1.175 318 P CA 1.833 64.891 63.100 -0.070 0.000 0.761 318 P CB 1.254 32.970 31.700 0.027 0.000 0.794 319 S N 0.616 115.948 115.700 -0.615 0.000 2.154 319 S HA -0.163 4.307 4.470 -0.001 0.000 0.247 319 S C 0.265 174.594 174.600 -0.451 0.000 1.170 319 S CA 0.738 58.246 58.200 -1.154 0.000 1.419 319 S CB -2.314 60.388 63.200 -0.830 0.000 1.768 319 S HN 0.426 nan 8.310 nan 0.000 0.587 320 D N 2.178 122.440 120.400 -0.230 0.000 2.357 320 D HA 0.585 5.224 4.640 -0.001 0.000 0.242 320 D C 0.287 176.587 176.300 0.000 0.000 1.153 320 D CA 0.895 54.814 54.000 -0.135 0.000 0.918 320 D CB 0.535 41.262 40.800 -0.122 0.000 1.181 320 D HN 0.738 nan 8.370 nan 0.000 0.435 321 Y N -0.966 119.361 120.300 0.045 0.000 2.581 321 Y HA 0.682 5.231 4.550 -0.001 0.000 0.345 321 Y C -1.088 174.931 175.900 0.199 0.000 1.036 321 Y CA -1.563 56.528 58.100 -0.015 0.000 1.042 321 Y CB 1.075 39.527 38.460 -0.015 0.000 1.289 321 Y HN 0.286 nan 8.280 nan 0.000 0.471 322 F N -1.516 118.515 119.950 0.134 0.000 2.645 322 F HA 0.798 5.324 4.527 -0.001 0.000 0.310 322 F C 0.397 176.377 175.800 0.300 0.000 1.102 322 F CA -1.477 56.631 58.000 0.179 0.000 0.952 322 F CB 1.713 40.731 39.000 0.030 0.000 1.326 322 F HN 1.093 nan 8.300 nan 0.000 0.456 323 G N 0.611 109.671 108.800 0.434 0.000 2.137 323 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.237 323 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.237 323 G C 0.566 175.689 174.900 0.371 0.000 1.002 323 G CA 0.371 45.685 45.100 0.358 0.000 0.702 323 G HN 0.915 nan 8.290 nan 0.000 0.515 324 E N -0.355 120.093 120.200 0.413 0.000 2.065 324 E HA -0.174 4.176 4.350 -0.001 0.000 0.201 324 E C 2.520 179.100 176.600 -0.034 0.000 1.016 324 E CA 1.592 58.071 56.400 0.132 0.000 0.818 324 E CB -0.132 29.689 29.700 0.203 0.000 0.749 324 E HN 0.725 nan 8.360 nan 0.000 0.453 325 I N 0.798 121.417 120.570 0.081 0.000 2.335 325 I HA -0.261 3.909 4.170 -0.001 0.000 0.251 325 I C 2.379 178.486 176.117 -0.016 0.000 1.129 325 I CA 0.810 62.133 61.300 0.037 0.000 1.402 325 I CB -0.240 37.835 38.000 0.126 0.000 1.069 325 I HN 0.096 nan 8.210 nan 0.000 0.424 326 A N 0.560 123.391 122.820 0.019 0.000 2.121 326 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 326 A C 2.214 179.750 177.584 -0.080 0.000 1.154 326 A CA 1.012 53.052 52.037 0.004 0.000 0.679 326 A CB -0.600 18.440 19.000 0.066 0.000 0.795 326 A HN 0.428 nan 8.150 nan 0.000 0.458 327 L N -1.436 119.674 121.223 -0.189 0.000 2.395 327 L HA -0.038 4.301 4.340 -0.001 0.000 0.218 327 L C 2.292 178.973 176.870 -0.315 0.000 1.130 327 L CA 0.546 55.171 54.840 -0.358 0.000 0.826 327 L CB -0.197 41.449 42.059 -0.689 0.000 0.941 327 L HN 0.468 nan 8.230 nan 0.000 0.451 328 L N -0.565 120.524 121.223 -0.223 0.000 2.349 328 L HA 0.267 4.606 4.340 -0.001 0.000 0.200 328 L C 0.409 177.235 176.870 -0.073 0.000 1.064 328 L CA 0.811 55.552 54.840 -0.164 0.000 0.821 328 L CB 0.500 42.447 42.059 -0.188 0.000 1.027 328 L HN 0.105 nan 8.230 nan 0.000 0.476 329 M N -1.614 117.957 119.600 -0.048 0.000 2.578 329 M HA 0.398 4.878 4.480 -0.001 0.000 0.276 329 M C -1.260 175.042 176.300 0.002 0.000 1.245 329 M CA -0.758 54.535 55.300 -0.012 0.000 0.871 329 M CB 1.360 33.961 32.600 0.001 0.000 1.722 329 M HN -0.111 nan 8.290 nan 0.000 0.473 330 N N 1.936 120.643 118.700 0.012 0.000 2.439 330 N HA 0.360 5.100 4.740 -0.001 0.000 0.243 330 N C -1.523 174.003 175.510 0.027 0.000 1.088 330 N CA -0.050 53.012 53.050 0.021 0.000 0.940 330 N CB 0.554 39.053 38.487 0.020 0.000 1.180 330 N HN 0.525 nan 8.380 nan 0.000 0.505 331 R N 2.838 123.360 120.500 0.035 0.000 2.837 331 R HA 0.555 4.894 4.340 -0.001 0.000 0.271 331 R C -2.530 173.798 176.300 0.046 0.000 0.993 331 R CA -1.840 54.283 56.100 0.039 0.000 0.931 331 R CB 0.860 31.186 30.300 0.043 0.000 1.206 331 R HN 0.484 nan 8.270 nan 0.000 0.474 332 P HA 0.056 nan 4.420 nan 0.000 0.268 332 P C -0.593 176.742 177.300 0.058 0.000 1.205 332 P CA -0.188 62.941 63.100 0.047 0.000 0.771 332 P CB 0.488 32.210 31.700 0.037 0.000 0.858 333 K N 1.916 122.356 120.400 0.067 0.000 2.448 333 K HA 0.159 4.479 4.320 -0.001 0.000 0.278 333 K C 1.311 177.949 176.600 0.065 0.000 1.009 333 K CA 0.035 56.368 56.287 0.077 0.000 0.995 333 K CB 0.219 32.767 32.500 0.079 0.000 0.917 333 K HN 0.490 nan 8.250 nan 0.000 0.481 334 A N 1.895 124.753 122.820 0.063 0.000 1.975 334 A HA 0.222 4.542 4.320 -0.001 0.000 0.215 334 A C 0.703 178.315 177.584 0.047 0.000 1.170 334 A CA 1.412 53.478 52.037 0.047 0.000 0.656 334 A CB 0.110 19.136 19.000 0.044 0.000 0.821 334 A HN 0.701 nan 8.150 nan 0.000 0.449 335 A N -1.947 120.898 122.820 0.041 0.000 2.587 335 A HA 0.609 4.928 4.320 -0.001 0.000 0.293 335 A C -0.342 177.237 177.584 -0.008 0.000 1.087 335 A CA -0.364 51.694 52.037 0.035 0.000 0.692 335 A CB 0.387 19.382 19.000 -0.009 0.000 1.291 335 A HN 0.050 nan 8.150 nan 0.000 0.407 336 T N 1.112 115.650 114.554 -0.027 0.000 2.869 336 T HA 0.476 4.825 4.350 -0.001 0.000 0.295 336 T C -0.247 174.304 174.700 -0.247 0.000 0.987 336 T CA 0.012 62.018 62.100 -0.156 0.000 1.109 336 T CB 0.659 69.360 68.868 -0.278 0.000 0.932 336 T HN 0.532 nan 8.240 nan 0.000 0.518 337 V N 4.268 123.978 119.914 -0.341 0.000 2.384 337 V HA 0.560 4.680 4.120 -0.001 0.000 0.287 337 V C -0.158 175.669 176.094 -0.445 0.000 1.020 337 V CA -0.683 61.320 62.300 -0.495 0.000 0.850 337 V CB 1.625 32.899 31.823 -0.916 0.000 0.987 337 V HN 0.654 nan 8.190 nan 0.000 0.436 338 V N 4.884 124.576 119.914 -0.370 0.000 2.656 338 V HA 0.860 4.980 4.120 -0.001 0.000 0.307 338 V C 0.412 176.354 176.094 -0.254 0.000 1.051 338 V CA -0.504 61.616 62.300 -0.300 0.000 0.893 338 V CB 1.977 33.657 31.823 -0.239 0.000 0.999 338 V HN 1.079 nan 8.190 nan 0.000 0.426 339 A N 6.313 129.005 122.820 -0.214 0.000 2.524 339 A HA 0.419 4.738 4.320 -0.001 0.000 0.250 339 A C 0.397 177.927 177.584 -0.089 0.000 1.078 339 A CA 0.023 51.985 52.037 -0.126 0.000 0.761 339 A CB -0.152 18.826 19.000 -0.037 0.000 1.012 339 A HN 0.915 nan 8.150 nan 0.000 0.500 340 R N 3.397 123.850 120.500 -0.078 0.000 2.346 340 R HA 0.491 4.830 4.340 -0.001 0.000 0.309 340 R C 0.500 176.781 176.300 -0.032 0.000 1.119 340 R CA 0.734 56.799 56.100 -0.059 0.000 1.112 340 R CB -0.300 29.958 30.300 -0.068 0.000 1.132 340 R HN 1.886 nan 8.270 nan 0.000 0.538 341 G N 4.075 112.864 108.800 -0.018 0.000 2.796 341 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.571 341 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.571 341 G C -2.698 172.212 174.900 0.017 0.000 1.370 341 G CA -0.887 44.212 45.100 -0.001 0.000 0.856 341 G HN 0.502 nan 8.290 nan 0.000 0.538 342 P HA 0.426 nan 4.420 nan 0.000 0.266 342 P C -0.452 176.890 177.300 0.069 0.000 1.195 342 P CA 0.087 63.219 63.100 0.052 0.000 0.768 342 P CB 1.180 32.906 31.700 0.042 0.000 0.838 343 L N 3.350 124.644 121.223 0.118 0.000 2.406 343 L HA 0.426 4.765 4.340 -0.001 0.000 0.272 343 L C -0.489 176.503 176.870 0.203 0.000 0.980 343 L CA -0.338 54.593 54.840 0.152 0.000 0.831 343 L CB 1.757 43.910 42.059 0.156 0.000 1.253 343 L HN 0.184 nan 8.230 nan 0.000 0.406 344 K N 4.683 125.180 120.400 0.161 0.000 2.307 344 K HA 0.684 5.004 4.320 -0.001 0.000 0.263 344 K C -1.271 175.437 176.600 0.181 0.000 0.973 344 K CA -0.520 55.857 56.287 0.150 0.000 0.846 344 K CB 1.315 33.883 32.500 0.113 0.000 1.100 344 K HN 0.576 nan 8.250 nan 0.000 0.438 345 C N 1.543 120.968 119.300 0.208 0.000 2.913 345 C HA 0.655 5.114 4.460 -0.001 0.000 0.322 345 C C -0.301 174.762 174.990 0.122 0.000 1.292 345 C CA -0.945 58.194 59.018 0.203 0.000 1.649 345 C CB 1.488 29.435 27.740 0.345 0.000 2.139 345 C HN 0.644 nan 8.230 nan 0.000 0.475 346 V N 0.428 120.358 119.914 0.027 0.000 2.715 346 V HA 0.815 4.935 4.120 -0.001 0.000 0.310 346 V C -0.700 175.311 176.094 -0.139 0.000 1.054 346 V CA -0.560 61.687 62.300 -0.089 0.000 0.928 346 V CB 1.398 33.038 31.823 -0.306 0.000 1.007 346 V HN 1.067 nan 8.190 nan 0.000 0.437 347 K N 3.554 123.849 120.400 -0.175 0.000 2.400 347 K HA 0.849 5.169 4.320 -0.001 0.000 0.246 347 K C -1.708 174.757 176.600 -0.225 0.000 0.995 347 K CA -0.972 55.087 56.287 -0.381 0.000 0.840 347 K CB 3.019 35.163 32.500 -0.594 0.000 1.293 347 K HN 0.690 nan 8.250 nan 0.000 0.445 348 L N 2.611 123.714 121.223 -0.201 0.000 2.438 348 L HA 0.328 4.668 4.340 -0.001 0.000 0.270 348 L C -1.244 175.579 176.870 -0.079 0.000 0.972 348 L CA -0.742 54.072 54.840 -0.043 0.000 0.831 348 L CB 1.996 44.132 42.059 0.127 0.000 1.273 348 L HN 0.986 nan 8.230 nan 0.000 0.405 349 D N 3.377 123.748 120.400 -0.048 0.000 2.340 349 D HA 0.132 4.772 4.640 -0.001 0.000 0.251 349 D C 0.560 176.866 176.300 0.010 0.000 1.080 349 D CA -0.683 53.295 54.000 -0.036 0.000 0.971 349 D CB 1.816 42.604 40.800 -0.019 0.000 1.137 349 D HN 0.511 nan 8.370 nan 0.000 0.475 350 R N 0.504 120.999 120.500 -0.007 0.000 2.075 350 R HA -0.040 4.299 4.340 -0.001 0.000 0.232 350 R C -0.878 175.459 176.300 0.063 0.000 1.126 350 R CA 0.988 57.089 56.100 0.000 0.000 0.963 350 R CB -1.082 29.195 30.300 -0.039 0.000 0.858 350 R HN 0.310 nan 8.270 nan 0.000 0.435 351 P HA -0.168 nan 4.420 nan 0.000 0.215 351 P C 0.822 178.156 177.300 0.058 0.000 1.153 351 P CA 1.322 64.450 63.100 0.047 0.000 0.853 351 P CB -0.158 31.559 31.700 0.028 0.000 0.788 352 R N -1.212 119.321 120.500 0.056 0.000 2.073 352 R HA -0.154 4.186 4.340 -0.001 0.000 0.234 352 R C 2.243 178.582 176.300 0.065 0.000 1.134 352 R CA 1.414 57.542 56.100 0.046 0.000 0.952 352 R CB -1.005 29.316 30.300 0.035 0.000 0.850 352 R HN 0.099 nan 8.270 nan 0.000 0.433 353 F N 1.678 121.599 119.950 -0.048 0.000 2.126 353 F HA -0.203 4.323 4.527 -0.001 0.000 0.299 353 F C 1.898 177.666 175.800 -0.052 0.000 1.096 353 F CA 1.869 59.832 58.000 -0.061 0.000 1.255 353 F CB 0.051 38.996 39.000 -0.091 0.000 0.997 353 F HN 0.116 nan 8.300 nan 0.000 0.479 354 E N -0.039 120.298 120.200 0.228 0.000 2.072 354 E HA -0.176 4.173 4.350 -0.001 0.000 0.190 354 E C 2.250 178.851 176.600 0.002 0.000 0.982 354 E CA 0.823 57.296 56.400 0.122 0.000 0.803 354 E CB -0.230 29.545 29.700 0.125 0.000 0.755 354 E HN 0.465 nan 8.360 nan 0.000 0.453 355 R N 0.407 120.904 120.500 -0.003 0.000 2.117 355 R HA -0.132 4.207 4.340 -0.001 0.000 0.243 355 R C 2.212 178.474 176.300 -0.063 0.000 1.143 355 R CA 1.128 57.212 56.100 -0.027 0.000 0.968 355 R CB -0.178 30.112 30.300 -0.017 0.000 0.863 355 R HN 0.071 nan 8.270 nan 0.000 0.444 356 V N -0.183 119.666 119.914 -0.109 0.000 3.085 356 V HA -0.006 4.113 4.120 -0.001 0.000 0.245 356 V C 1.261 177.229 176.094 -0.209 0.000 1.114 356 V CA 0.872 63.086 62.300 -0.143 0.000 1.108 356 V CB 0.359 32.097 31.823 -0.140 0.000 0.798 356 V HN 0.196 nan 8.190 nan 0.000 0.471 357 L N -0.416 120.612 121.223 -0.325 0.000 2.817 357 L HA 0.512 4.851 4.340 -0.001 0.000 0.248 357 L C 1.064 177.822 176.870 -0.186 0.000 1.133 357 L CA 1.199 55.824 54.840 -0.357 0.000 0.935 357 L CB -0.593 41.007 42.059 -0.764 0.000 1.266 357 L HN 0.431 nan 8.230 nan 0.000 0.535 358 G N 1.227 109.966 108.800 -0.102 0.000 2.796 358 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.226 358 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.226 358 G C -2.562 172.399 174.900 0.101 0.000 1.381 358 G CA -0.942 44.154 45.100 -0.006 0.000 0.867 358 G HN 0.076 nan 8.290 nan 0.000 0.552 359 P HA 0.176 nan 4.420 nan 0.000 0.264 359 P C 1.280 178.686 177.300 0.177 0.000 1.183 359 P CA 0.283 63.457 63.100 0.123 0.000 0.763 359 P CB 0.829 32.561 31.700 0.054 0.000 0.807 360 C N 2.794 122.177 119.300 0.137 0.000 2.419 360 C HA -0.143 4.317 4.460 -0.001 0.000 0.281 360 C C 2.744 177.733 174.990 -0.002 0.000 1.336 360 C CA 1.829 60.853 59.018 0.011 0.000 1.770 360 C CB -1.786 25.695 27.740 -0.433 0.000 1.929 360 C HN 0.715 nan 8.230 nan 0.000 0.509 361 S N 0.411 116.124 115.700 0.021 0.000 2.383 361 S HA -0.165 4.304 4.470 -0.001 0.000 0.227 361 S C 1.405 175.987 174.600 -0.031 0.000 1.026 361 S CA 1.862 60.105 58.200 0.071 0.000 0.981 361 S CB -0.575 62.696 63.200 0.118 0.000 0.818 361 S HN 0.670 nan 8.310 nan 0.000 0.472 362 D N 1.526 121.909 120.400 -0.029 0.000 2.224 362 D HA 0.097 4.736 4.640 -0.001 0.000 0.205 362 D C 1.920 178.196 176.300 -0.040 0.000 0.965 362 D CA 0.826 54.789 54.000 -0.062 0.000 0.852 362 D CB -0.257 40.523 40.800 -0.034 0.000 0.947 362 D HN 0.463 nan 8.370 nan 0.000 0.494 363 I N 0.446 121.022 120.570 0.009 0.000 2.202 363 I HA -0.229 3.941 4.170 -0.001 0.000 0.242 363 I C 2.305 178.426 176.117 0.007 0.000 1.091 363 I CA 0.499 61.812 61.300 0.021 0.000 1.368 363 I CB -0.034 38.014 38.000 0.081 0.000 1.058 363 I HN -0.028 nan 8.210 nan 0.000 0.410 364 L N 0.939 122.170 121.223 0.013 0.000 2.141 364 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 364 L C 2.166 179.078 176.870 0.069 0.000 1.094 364 L CA 1.829 56.710 54.840 0.069 0.000 0.763 364 L CB -0.581 41.557 42.059 0.133 0.000 0.908 364 L HN 0.062 nan 8.230 nan 0.000 0.437 365 K N -0.953 119.370 120.400 -0.129 0.000 2.515 365 K HA -0.078 4.241 4.320 -0.001 0.000 0.196 365 K C 1.963 178.494 176.600 -0.115 0.000 1.038 365 K CA 0.397 56.506 56.287 -0.296 0.000 0.967 365 K CB -0.021 32.187 32.500 -0.488 0.000 0.780 365 K HN 0.334 nan 8.250 nan 0.000 0.483 366 R N 0.423 120.894 120.500 -0.048 0.000 2.120 366 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 366 R C 0.610 176.914 176.300 0.007 0.000 1.123 366 R CA 0.881 56.970 56.100 -0.018 0.000 0.975 366 R CB -0.153 30.144 30.300 -0.004 0.000 0.866 366 R HN 0.096 nan 8.270 nan 0.000 0.446 367 N N 0.017 118.738 118.700 0.035 0.000 2.524 367 N HA 0.177 4.917 4.740 -0.001 0.000 0.261 367 N C 0.292 175.862 175.510 0.100 0.000 0.998 367 N CA -0.175 52.911 53.050 0.060 0.000 0.915 367 N CB 0.973 39.502 38.487 0.069 0.000 1.187 367 N HN -0.106 nan 8.380 nan 0.000 0.507 368 I N 2.217 122.838 120.570 0.085 0.000 2.439 368 I HA -0.149 4.021 4.170 -0.001 0.000 0.251 368 I C 2.144 178.360 176.117 0.164 0.000 1.139 368 I CA 0.714 62.092 61.300 0.129 0.000 1.438 368 I CB 0.062 38.107 38.000 0.075 0.000 1.085 368 I HN 0.651 nan 8.210 nan 0.000 0.427 369 Q N 0.255 120.121 119.800 0.112 0.000 2.124 369 Q HA -0.235 4.105 4.340 -0.001 0.000 0.202 369 Q C 2.205 178.272 176.000 0.111 0.000 0.977 369 Q CA 1.614 57.472 55.803 0.092 0.000 0.850 369 Q CB -0.074 28.701 28.738 0.062 0.000 0.901 369 Q HN 0.434 nan 8.270 nan 0.000 0.429 370 Q N -1.529 118.360 119.800 0.148 0.000 2.137 370 Q HA -0.157 4.182 4.340 -0.001 0.000 0.198 370 Q C 1.661 177.838 176.000 0.295 0.000 0.960 370 Q CA 1.038 56.956 55.803 0.192 0.000 0.847 370 Q CB -0.090 28.768 28.738 0.200 0.000 0.915 370 Q HN 0.466 nan 8.270 nan 0.000 0.448 371 Y N 2.255 122.644 120.300 0.148 0.000 2.053 371 Y HA -0.283 4.267 4.550 -0.001 0.000 0.277 371 Y C 1.822 177.812 175.900 0.149 0.000 1.159 371 Y CA 1.986 60.174 58.100 0.148 0.000 1.125 371 Y CB -0.387 38.119 38.460 0.076 0.000 0.969 371 Y HN 0.193 nan 8.280 nan 0.000 0.492 372 N N -0.091 118.664 118.700 0.091 0.000 2.272 372 N HA -0.165 4.575 4.740 -0.001 0.000 0.185 372 N C 1.986 177.459 175.510 -0.061 0.000 1.014 372 N CA 1.459 54.497 53.050 -0.020 0.000 0.870 372 N CB -0.698 37.821 38.487 0.054 0.000 0.975 372 N HN 0.568 nan 8.380 nan 0.000 0.433 373 S N -0.983 114.692 115.700 -0.043 0.000 2.453 373 S HA 0.056 4.526 4.470 -0.001 0.000 0.231 373 S C 1.730 176.161 174.600 -0.281 0.000 1.005 373 S CA 0.335 58.445 58.200 -0.149 0.000 0.949 373 S CB -0.355 62.742 63.200 -0.172 0.000 0.774 373 S HN 0.218 nan 8.310 nan 0.000 0.510 374 F N 1.226 121.097 119.950 -0.133 0.000 2.383 374 F HA 0.392 4.919 4.527 -0.001 0.000 0.287 374 F C 0.598 176.262 175.800 -0.226 0.000 1.069 374 F CA 0.014 57.922 58.000 -0.152 0.000 1.402 374 F CB 0.414 39.328 39.000 -0.144 0.000 1.116 374 F HN -0.013 nan 8.300 nan 0.000 0.549 375 V N 0.552 120.333 119.914 -0.221 0.000 2.334 375 V HA 0.211 4.330 4.120 -0.001 0.000 0.281 375 V C 0.049 176.010 176.094 -0.222 0.000 1.016 375 V CA -1.117 60.991 62.300 -0.320 0.000 0.832 375 V CB 1.040 32.444 31.823 -0.700 0.000 0.999 375 V HN 0.102 nan 8.190 nan 0.000 0.439 376 S N 5.978 121.614 115.700 -0.107 0.000 2.575 376 S HA 0.134 4.603 4.470 -0.001 0.000 0.295 376 S C -0.184 174.399 174.600 -0.028 0.000 1.267 376 S CA -0.212 57.954 58.200 -0.056 0.000 1.074 376 S CB 0.045 63.224 63.200 -0.034 0.000 0.829 376 S HN 0.632 nan 8.310 nan 0.000 0.497 377 L N 5.171 126.391 121.223 -0.005 0.000 2.312 377 L HA 0.610 4.949 4.340 -0.001 0.000 0.281 377 L C -0.263 176.621 176.870 0.024 0.000 1.070 377 L CA -0.021 54.837 54.840 0.030 0.000 0.805 377 L CB 1.279 43.366 42.059 0.046 0.000 1.174 377 L HN 0.760 nan 8.230 nan 0.000 0.434 378 S N 3.941 119.660 115.700 0.032 0.000 2.672 378 S HA 0.479 4.949 4.470 -0.001 0.000 0.291 378 S C 0.244 174.860 174.600 0.027 0.000 1.145 378 S CA -0.620 57.595 58.200 0.024 0.000 1.013 378 S CB 1.476 64.688 63.200 0.019 0.000 1.017 378 S HN 0.495 nan 8.310 nan 0.000 0.487 379 V N 2.528 122.456 119.914 0.022 0.000 3.523 379 V HA 0.645 4.764 4.120 -0.001 0.000 0.255 379 V C 0.993 177.096 176.094 0.015 0.000 1.226 379 V CA 0.659 62.971 62.300 0.020 0.000 1.092 379 V CB -0.739 31.096 31.823 0.020 0.000 0.817 379 V HN 0.925 nan 8.190 nan 0.000 0.458 380 A N 0.000 122.828 122.820 0.013 0.000 2.254 380 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 380 A CA 0.000 52.044 52.037 0.011 0.000 0.836 380 A CB 0.000 19.005 19.000 0.009 0.000 0.831 380 A HN 0.000 nan 8.150 nan 0.000 0.486