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 1zxb_1_A DATA FIRST_RESID 97 DATA SEQUENCE EDICFIAGIG DTNGYGWGIA KELSKRNVKI IFGIWPPVYN IFMKNYKNGK DATA SEQUENCE FDNDMIIDKD KKMNILDMLP FDASFDTAND IDEETKNNKR YNMLQNYTIE DATA SEQUENCE DVANLIHQKY GKINMLVHSL ANAKEVQKDL LNTSRKGYLD ALSKSSYSLI DATA SEQUENCE SLCKYFVNIM KPQSSIISLT YHASQKVVPG YGGGMSSAKA ALESDTRVLA DATA SEQUENCE YHLGRNYNIR INTISAGPLK SRAATAINKX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXY TFIDYAIEYS EKYAPLRQKL LSTDIGSVAS DATA SEQUENCE FLLSRESRAI TGQTIYVDNG LNIMFLPDD 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 97 E HA 0.000 nan 4.350 nan 0.000 0.291 97 E C 0.000 176.595 176.600 -0.008 0.000 1.382 97 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 97 E CB 0.000 29.702 29.700 0.003 0.000 0.812 98 D N 2.741 123.129 120.400 -0.020 0.000 2.863 98 D HA 0.473 5.113 4.640 -0.000 0.000 0.245 98 D C -0.318 175.958 176.300 -0.039 0.000 1.211 98 D CA -0.404 53.582 54.000 -0.023 0.000 0.888 98 D CB 1.509 42.292 40.800 -0.027 0.000 1.483 98 D HN 0.210 nan 8.370 nan 0.000 0.533 99 I N 0.998 121.550 120.570 -0.029 0.000 2.465 99 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 99 I C -0.108 175.993 176.117 -0.026 0.000 1.014 99 I CA -0.836 60.437 61.300 -0.045 0.000 1.093 99 I CB 1.396 39.376 38.000 -0.033 0.000 1.267 99 I HN 0.310 nan 8.210 nan 0.000 0.431 100 C N 6.948 126.215 119.300 -0.055 0.000 2.369 100 C HA 0.542 5.002 4.460 -0.000 0.000 0.322 100 C C -0.325 174.665 174.990 -0.001 0.000 1.258 100 C CA -0.704 58.291 59.018 -0.039 0.000 1.487 100 C CB 0.309 27.997 27.740 -0.088 0.000 2.165 100 C HN 0.744 nan 8.230 nan 0.000 0.483 101 F N 7.116 126.985 119.950 -0.135 0.000 2.411 101 F HA 0.633 5.160 4.527 -0.000 0.000 0.355 101 F C -0.146 175.524 175.800 -0.216 0.000 1.117 101 F CA -0.550 57.346 58.000 -0.173 0.000 1.139 101 F CB 0.484 39.387 39.000 -0.162 0.000 1.120 101 F HN 0.489 nan 8.300 nan 0.000 0.493 102 I N 6.879 127.079 120.570 -0.616 0.000 2.328 102 I HA 0.372 4.542 4.170 -0.000 0.000 0.287 102 I C -0.231 175.258 176.117 -1.047 0.000 1.012 102 I CA -0.604 60.325 61.300 -0.618 0.000 1.195 102 I CB 1.325 39.232 38.000 -0.154 0.000 1.350 102 I HN 0.655 nan 8.210 nan 0.000 0.464 103 A N 4.737 126.839 122.820 -1.196 0.000 2.276 103 A HA 0.749 5.069 4.320 -0.000 0.000 0.316 103 A C 0.624 177.893 177.584 -0.524 0.000 1.229 103 A CA -0.086 51.295 52.037 -1.093 0.000 0.851 103 A CB 0.745 18.912 19.000 -1.389 0.000 1.165 103 A HN 1.078 nan 8.150 nan 0.000 0.513 104 G N 1.654 110.279 108.800 -0.291 0.000 2.468 104 G HA2 0.078 4.038 3.960 -0.000 0.000 0.143 104 G HA3 0.078 4.038 3.960 -0.000 0.000 0.143 104 G C -0.360 174.457 174.900 -0.138 0.000 1.065 104 G CA -0.021 44.973 45.100 -0.177 0.000 0.776 104 G HN 1.920 nan 8.290 nan 0.000 0.486 105 I N -2.476 118.003 120.570 -0.152 0.000 3.002 105 I HA 1.001 5.171 4.170 -0.000 0.000 0.310 105 I C 0.712 176.718 176.117 -0.185 0.000 1.087 105 I CA -0.765 60.424 61.300 -0.185 0.000 1.017 105 I CB 2.347 40.167 38.000 -0.299 0.000 1.226 105 I HN 0.253 nan 8.210 nan 0.000 0.443 106 G N 1.671 110.394 108.800 -0.129 0.000 3.430 106 G HA2 0.408 4.368 3.960 -0.000 0.000 0.222 106 G HA3 0.408 4.368 3.960 -0.000 0.000 0.222 106 G C -0.667 174.304 174.900 0.119 0.000 1.102 106 G CA 0.626 45.728 45.100 0.004 0.000 0.927 106 G HN 0.882 nan 8.290 nan 0.000 0.597 107 D N -2.163 118.192 120.400 -0.075 0.000 3.010 107 D HA 0.243 4.883 4.640 -0.000 0.000 0.353 107 D C 0.665 176.578 176.300 -0.645 0.000 1.415 107 D CA 0.333 54.156 54.000 -0.295 0.000 0.864 107 D CB -0.118 40.582 40.800 -0.167 0.000 1.445 107 D HN -0.027 nan 8.370 nan 0.000 0.516 108 T N -3.223 110.772 114.554 -0.931 0.000 3.086 108 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 108 T C 0.287 174.664 174.700 -0.539 0.000 1.074 108 T CA -0.126 61.187 62.100 -1.310 0.000 0.988 108 T CB -0.485 67.483 68.868 -1.499 0.000 0.988 108 T HN 0.358 nan 8.240 nan 0.000 0.530 109 N N 1.170 119.683 118.700 -0.312 0.000 2.280 109 N HA 0.209 4.949 4.740 -0.000 0.000 0.192 109 N C 0.884 176.308 175.510 -0.143 0.000 1.109 109 N CA 0.079 53.024 53.050 -0.175 0.000 0.855 109 N CB 0.846 39.249 38.487 -0.139 0.000 0.974 109 N HN 0.596 nan 8.380 nan 0.000 0.482 110 G N -0.853 107.882 108.800 -0.109 0.000 2.887 110 G HA2 0.317 4.277 3.960 -0.000 0.000 0.277 110 G HA3 0.317 4.277 3.960 -0.000 0.000 0.277 110 G C -0.115 174.756 174.900 -0.048 0.000 1.346 110 G CA -0.327 44.709 45.100 -0.106 0.000 1.058 110 G HN -0.054 nan 8.290 nan 0.000 0.535 111 Y N 0.450 120.773 120.300 0.038 0.000 2.337 111 Y HA 0.071 4.621 4.550 -0.000 0.000 0.293 111 Y C 2.859 178.785 175.900 0.044 0.000 1.123 111 Y CA 1.264 59.388 58.100 0.040 0.000 1.201 111 Y CB -0.309 38.161 38.460 0.017 0.000 1.011 111 Y HN 0.520 nan 8.280 nan 0.000 0.545 112 G N -0.423 108.486 108.800 0.183 0.000 2.442 112 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 112 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 112 G C 1.680 176.686 174.900 0.177 0.000 1.141 112 G CA 0.636 45.808 45.100 0.119 0.000 0.763 112 G HN 0.536 nan 8.290 nan 0.000 0.554 113 W N 1.633 122.920 121.300 -0.021 0.000 2.378 113 W HA -0.079 4.581 4.660 -0.000 0.000 0.313 113 W C 2.427 178.969 176.519 0.038 0.000 1.197 113 W CA 1.425 58.758 57.345 -0.019 0.000 1.304 113 W CB -0.453 28.939 29.460 -0.113 0.000 1.148 113 W HN 0.248 nan 8.180 nan 0.000 0.494 114 G N 1.241 110.118 108.800 0.129 0.000 2.476 114 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 114 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 114 G C 1.530 176.426 174.900 -0.005 0.000 1.164 114 G CA 1.496 46.626 45.100 0.050 0.000 0.768 114 G HN 0.299 nan 8.290 nan 0.000 0.560 115 I N 1.409 122.005 120.570 0.043 0.000 2.208 115 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 115 I C 3.291 179.366 176.117 -0.070 0.000 1.097 115 I CA 1.098 62.398 61.300 0.000 0.000 1.363 115 I CB -0.217 37.789 38.000 0.011 0.000 1.051 115 I HN 0.267 nan 8.210 nan 0.000 0.413 116 A N 0.602 123.356 122.820 -0.110 0.000 1.902 116 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 116 A C 2.326 179.740 177.584 -0.283 0.000 1.181 116 A CA 1.570 53.492 52.037 -0.191 0.000 0.623 116 A CB -0.445 18.468 19.000 -0.145 0.000 0.818 116 A HN 0.303 nan 8.150 nan 0.000 0.443 117 K N -0.501 119.673 120.400 -0.377 0.000 2.063 117 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 117 K C 1.834 178.342 176.600 -0.154 0.000 1.048 117 K CA 1.419 57.526 56.287 -0.301 0.000 0.928 117 K CB -0.100 32.235 32.500 -0.274 0.000 0.713 117 K HN 0.393 nan 8.250 nan 0.000 0.442 118 E N 0.696 120.830 120.200 -0.109 0.000 2.285 118 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 118 E C 2.016 178.582 176.600 -0.056 0.000 0.997 118 E CA 0.605 56.970 56.400 -0.058 0.000 0.845 118 E CB 0.069 29.754 29.700 -0.025 0.000 0.782 118 E HN 0.322 nan 8.360 nan 0.000 0.491 119 L N 0.363 121.537 121.223 -0.082 0.000 2.072 119 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 119 L C 2.440 179.262 176.870 -0.081 0.000 1.079 119 L CA 0.644 55.437 54.840 -0.078 0.000 0.752 119 L CB -0.278 41.722 42.059 -0.098 0.000 0.906 119 L HN -0.001 nan 8.230 nan 0.000 0.436 120 S N -0.174 115.465 115.700 -0.103 0.000 2.374 120 S HA -0.257 4.213 4.470 -0.000 0.000 0.227 120 S C 1.968 176.536 174.600 -0.054 0.000 1.037 120 S CA 1.351 59.499 58.200 -0.086 0.000 1.024 120 S CB -0.251 62.890 63.200 -0.099 0.000 0.861 120 S HN 0.283 nan 8.310 nan 0.000 0.456 121 K N 0.862 121.233 120.400 -0.048 0.000 2.228 121 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 121 K C 1.389 177.977 176.600 -0.020 0.000 1.045 121 K CA 1.125 57.396 56.287 -0.027 0.000 0.931 121 K CB -0.046 32.440 32.500 -0.022 0.000 0.727 121 K HN 0.303 nan 8.250 nan 0.000 0.458 122 R N 0.321 120.806 120.500 -0.025 0.000 2.427 122 R HA 0.105 4.445 4.340 -0.000 0.000 0.262 122 R C -0.332 175.954 176.300 -0.025 0.000 0.943 122 R CA -0.015 56.074 56.100 -0.019 0.000 1.081 122 R CB 0.215 30.506 30.300 -0.015 0.000 1.166 122 R HN 0.206 nan 8.270 nan 0.000 0.534 123 N N 0.560 119.241 118.700 -0.032 0.000 2.738 123 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 123 N C -0.638 174.846 175.510 -0.043 0.000 1.047 123 N CA 0.975 54.005 53.050 -0.034 0.000 0.707 123 N CB -1.569 36.905 38.487 -0.021 0.000 0.937 123 N HN 0.179 nan 8.380 nan 0.000 0.545 124 V N -0.382 119.497 119.914 -0.059 0.000 2.347 124 V HA 0.400 4.520 4.120 -0.000 0.000 0.280 124 V C 0.427 176.459 176.094 -0.102 0.000 1.021 124 V CA -0.833 61.425 62.300 -0.071 0.000 0.847 124 V CB 1.004 32.787 31.823 -0.066 0.000 0.990 124 V HN 0.133 nan 8.190 nan 0.000 0.444 125 K N 6.914 127.250 120.400 -0.107 0.000 2.524 125 K HA 0.304 4.624 4.320 -0.000 0.000 0.279 125 K C -0.254 176.229 176.600 -0.194 0.000 0.993 125 K CA 0.520 56.718 56.287 -0.149 0.000 1.030 125 K CB 0.132 32.538 32.500 -0.157 0.000 0.891 125 K HN 0.644 nan 8.250 nan 0.000 0.488 126 I N 4.694 125.102 120.570 -0.270 0.000 2.404 126 I HA 0.351 4.521 4.170 -0.000 0.000 0.293 126 I C -0.051 175.804 176.117 -0.436 0.000 0.992 126 I CA -0.607 60.459 61.300 -0.390 0.000 1.149 126 I CB 1.211 38.856 38.000 -0.592 0.000 1.315 126 I HN 0.472 nan 8.210 nan 0.000 0.446 127 I N 5.538 125.927 120.570 -0.300 0.000 2.389 127 I HA 0.344 4.514 4.170 -0.000 0.000 0.288 127 I C -0.829 175.291 176.117 0.005 0.000 0.999 127 I CA -0.539 60.688 61.300 -0.122 0.000 1.129 127 I CB 1.496 39.541 38.000 0.075 0.000 1.288 127 I HN 0.215 nan 8.210 nan 0.000 0.444 128 F N 3.476 123.503 119.950 0.128 0.000 2.408 128 F HA 0.532 5.059 4.527 -0.000 0.000 0.344 128 F C 0.970 176.847 175.800 0.128 0.000 1.112 128 F CA -1.005 56.997 58.000 0.004 0.000 1.096 128 F CB 1.642 40.602 39.000 -0.066 0.000 1.129 128 F HN 0.394 nan 8.300 nan 0.000 0.486 129 G N 5.155 114.036 108.800 0.134 0.000 2.377 129 G HA2 0.573 4.533 3.960 -0.000 0.000 0.316 129 G HA3 0.573 4.533 3.960 -0.000 0.000 0.316 129 G C -0.896 174.086 174.900 0.138 0.000 1.115 129 G CA -0.387 44.831 45.100 0.197 0.000 0.952 129 G HN 0.334 nan 8.290 nan 0.000 0.441 130 I N 2.257 122.969 120.570 0.237 0.000 2.404 130 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 130 I C -0.236 176.053 176.117 0.287 0.000 0.992 130 I CA -2.224 59.168 61.300 0.152 0.000 1.149 130 I CB 1.424 39.446 38.000 0.037 0.000 1.315 130 I HN 0.594 nan 8.210 nan 0.000 0.446 131 W N 10.034 131.371 121.300 0.063 0.000 2.613 131 W HA 0.128 4.788 4.660 -0.000 0.000 0.342 131 W C -1.588 174.884 176.519 -0.080 0.000 1.416 131 W CA -1.079 56.270 57.345 0.007 0.000 1.335 131 W CB 0.091 29.550 29.460 -0.002 0.000 1.396 131 W HN 0.451 nan 8.180 nan 0.000 0.572 132 P HA -0.273 nan 4.420 nan 0.000 0.217 132 P C -1.133 175.707 177.300 -0.766 0.000 1.158 132 P CA 2.920 65.576 63.100 -0.741 0.000 0.887 132 P CB -0.852 29.990 31.700 -1.429 0.000 0.792 133 P HA -0.129 nan 4.420 nan 0.000 0.218 133 P C 1.196 178.242 177.300 -0.422 0.000 1.146 133 P CA 1.397 64.005 63.100 -0.820 0.000 0.813 133 P CB -0.406 30.504 31.700 -1.316 0.000 0.778 134 V N -5.851 113.894 119.914 -0.281 0.000 3.427 134 V HA 0.189 4.309 4.120 -0.000 0.000 0.305 134 V C 1.771 177.925 176.094 0.101 0.000 1.412 134 V CA -0.259 62.034 62.300 -0.011 0.000 1.086 134 V CB -1.390 30.512 31.823 0.132 0.000 0.964 134 V HN 0.011 nan 8.190 nan 0.000 0.439 135 Y N 2.428 122.694 120.300 -0.057 0.000 2.184 135 Y HA -0.064 4.486 4.550 -0.000 0.000 0.290 135 Y C 2.129 178.103 175.900 0.123 0.000 1.129 135 Y CA 2.461 60.579 58.100 0.030 0.000 1.144 135 Y CB -0.264 38.174 38.460 -0.036 0.000 0.995 135 Y HN 0.330 nan 8.280 nan 0.000 0.513 136 N N 0.089 118.856 118.700 0.112 0.000 2.120 136 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 136 N C 1.563 177.059 175.510 -0.023 0.000 1.024 136 N CA 1.509 54.566 53.050 0.011 0.000 0.852 136 N CB -0.223 38.320 38.487 0.093 0.000 1.003 136 N HN 0.265 nan 8.380 nan 0.000 0.424 137 I N -0.013 120.570 120.570 0.022 0.000 2.286 137 I HA -0.192 3.977 4.170 -0.000 0.000 0.248 137 I C 1.657 177.802 176.117 0.047 0.000 1.115 137 I CA 0.966 62.279 61.300 0.023 0.000 1.392 137 I CB -0.387 37.635 38.000 0.035 0.000 1.065 137 I HN 0.134 nan 8.210 nan 0.000 0.418 138 F N -0.045 119.872 119.950 -0.054 0.000 2.146 138 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 138 F C 2.378 178.172 175.800 -0.009 0.000 1.096 138 F CA 1.444 59.454 58.000 0.015 0.000 1.275 138 F CB -0.092 38.902 39.000 -0.010 0.000 1.008 138 F HN -0.050 nan 8.300 nan 0.000 0.480 139 M N 0.351 119.968 119.600 0.029 0.000 2.175 139 M HA -0.169 4.311 4.480 -0.000 0.000 0.264 139 M C 2.125 178.393 176.300 -0.053 0.000 1.063 139 M CA 1.403 56.698 55.300 -0.009 0.000 1.119 139 M CB -1.275 31.230 32.600 -0.159 0.000 1.377 139 M HN 0.149 nan 8.290 nan 0.000 0.415 140 K N 0.629 120.970 120.400 -0.099 0.000 1.978 140 K HA -0.171 4.148 4.320 -0.000 0.000 0.214 140 K C 1.795 178.251 176.600 -0.239 0.000 1.049 140 K CA 1.601 57.811 56.287 -0.128 0.000 0.939 140 K CB -0.032 32.409 32.500 -0.099 0.000 0.721 140 K HN 0.297 nan 8.250 nan 0.000 0.441 141 N N -0.162 118.326 118.700 -0.353 0.000 2.137 141 N HA -0.228 4.512 4.740 -0.000 0.000 0.190 141 N C 1.761 176.742 175.510 -0.882 0.000 1.017 141 N CA 1.325 53.979 53.050 -0.661 0.000 0.859 141 N CB -0.448 37.514 38.487 -0.874 0.000 1.002 141 N HN 0.291 nan 8.380 nan 0.000 0.428 142 Y N 2.031 121.833 120.300 -0.831 0.000 2.114 142 Y HA -0.158 4.392 4.550 -0.000 0.000 0.284 142 Y C 2.520 178.244 175.900 -0.292 0.000 1.143 142 Y CA 1.633 59.418 58.100 -0.524 0.000 1.135 142 Y CB -0.379 37.963 38.460 -0.197 0.000 0.980 142 Y HN -0.087 nan 8.280 nan 0.000 0.499 143 K N -0.076 120.145 120.400 -0.299 0.000 2.063 143 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 143 K C 1.133 177.552 176.600 -0.301 0.000 1.048 143 K CA 1.676 57.785 56.287 -0.297 0.000 0.928 143 K CB -0.205 32.217 32.500 -0.130 0.000 0.713 143 K HN 0.298 nan 8.250 nan 0.000 0.442 144 N N -0.207 118.317 118.700 -0.294 0.000 2.501 144 N HA 0.027 4.767 4.740 -0.000 0.000 0.195 144 N C 0.588 175.936 175.510 -0.269 0.000 1.213 144 N CA 0.980 53.881 53.050 -0.248 0.000 0.864 144 N CB 0.659 39.011 38.487 -0.224 0.000 0.999 144 N HN 0.467 nan 8.380 nan 0.000 0.454 145 G N 0.603 109.204 108.800 -0.331 0.000 2.184 145 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.264 145 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.264 145 G C 1.237 175.980 174.900 -0.262 0.000 0.975 145 G CA 0.389 45.328 45.100 -0.268 0.000 0.642 145 G HN 0.253 nan 8.290 nan 0.000 0.536 146 K N -0.514 119.634 120.400 -0.421 0.000 2.280 146 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 146 K C 1.524 177.977 176.600 -0.246 0.000 1.047 146 K CA 1.141 57.178 56.287 -0.417 0.000 0.942 146 K CB -0.267 31.865 32.500 -0.614 0.000 0.739 146 K HN 0.522 nan 8.250 nan 0.000 0.457 147 F N 0.774 120.653 119.950 -0.118 0.000 2.695 147 F HA 0.146 4.673 4.527 -0.000 0.000 0.303 147 F C 1.502 177.340 175.800 0.062 0.000 1.091 147 F CA -0.771 57.180 58.000 -0.082 0.000 1.300 147 F CB -0.128 38.803 39.000 -0.116 0.000 1.071 147 F HN -0.081 nan 8.300 nan 0.000 0.578 148 D N 0.464 120.954 120.400 0.150 0.000 2.117 148 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 148 D C 1.761 178.148 176.300 0.145 0.000 0.987 148 D CA 1.099 55.180 54.000 0.135 0.000 0.829 148 D CB -0.067 40.753 40.800 0.033 0.000 0.961 148 D HN 0.164 nan 8.370 nan 0.000 0.460 149 N N 1.096 119.862 118.700 0.110 0.000 2.166 149 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 149 N C 1.133 176.740 175.510 0.162 0.000 1.019 149 N CA 0.851 53.965 53.050 0.106 0.000 0.856 149 N CB -0.194 38.334 38.487 0.069 0.000 0.993 149 N HN 0.139 nan 8.380 nan 0.000 0.426 150 D N -0.484 120.047 120.400 0.219 0.000 2.371 150 D HA 0.003 4.643 4.640 -0.000 0.000 0.221 150 D C 1.383 177.987 176.300 0.507 0.000 0.986 150 D CA 0.386 54.581 54.000 0.326 0.000 0.899 150 D CB 0.100 41.026 40.800 0.210 0.000 0.902 150 D HN 0.383 nan 8.370 nan 0.000 0.530 151 M N 0.017 119.866 119.600 0.415 0.000 2.465 151 M HA 0.135 4.615 4.480 -0.000 0.000 0.249 151 M C 0.398 176.812 176.300 0.191 0.000 1.130 151 M CA 0.026 55.553 55.300 0.378 0.000 1.067 151 M CB 0.746 33.589 32.600 0.406 0.000 1.394 151 M HN -0.180 nan 8.290 nan 0.000 0.483 152 I N 2.177 122.842 120.570 0.159 0.000 2.662 152 I HA -0.056 4.114 4.170 -0.000 0.000 0.285 152 I C -0.221 175.937 176.117 0.067 0.000 1.161 152 I CA 0.274 61.632 61.300 0.097 0.000 1.415 152 I CB -0.048 38.002 38.000 0.083 0.000 1.385 152 I HN 0.097 nan 8.210 nan 0.000 0.552 153 I N 6.548 127.141 120.570 0.039 0.000 2.269 153 I HA 0.120 4.290 4.170 -0.000 0.000 0.293 153 I C 0.762 176.892 176.117 0.021 0.000 1.106 153 I CA -0.330 60.979 61.300 0.015 0.000 1.248 153 I CB -0.028 37.969 38.000 -0.005 0.000 1.444 153 I HN 0.588 nan 8.210 nan 0.000 0.497 154 D N 4.638 125.053 120.400 0.026 0.000 2.164 154 D HA -0.318 4.322 4.640 -0.000 0.000 0.595 154 D C 0.836 177.148 176.300 0.021 0.000 0.823 154 D CA 2.051 56.066 54.000 0.025 0.000 1.672 154 D CB -0.669 40.142 40.800 0.019 0.000 0.508 154 D HN 0.576 nan 8.370 nan 0.000 0.376 155 K N 2.042 122.450 120.400 0.015 0.000 1.826 155 K HA 0.107 4.427 4.320 -0.000 0.000 0.214 155 K C -0.783 175.826 176.600 0.014 0.000 1.139 155 K CA 0.596 56.890 56.287 0.012 0.000 1.311 155 K CB -1.311 31.194 32.500 0.008 0.000 1.014 155 K HN 0.298 nan 8.250 nan 0.000 0.272 156 D N 0.253 120.663 120.400 0.017 0.000 2.730 156 D HA -0.256 4.384 4.640 -0.000 0.000 0.227 156 D C -0.554 175.757 176.300 0.019 0.000 1.196 156 D CA 1.206 55.217 54.000 0.019 0.000 0.620 156 D CB -0.482 40.327 40.800 0.015 0.000 1.012 156 D HN 0.693 nan 8.370 nan 0.000 0.411 157 K N 0.110 120.523 120.400 0.022 0.000 2.513 157 K HA 0.394 4.714 4.320 -0.000 0.000 0.251 157 K C -0.727 175.892 176.600 0.032 0.000 0.939 157 K CA -1.080 55.220 56.287 0.022 0.000 0.793 157 K CB 1.412 33.919 32.500 0.011 0.000 1.241 157 K HN -0.133 nan 8.250 nan 0.000 0.431 158 K N 3.352 123.777 120.400 0.042 0.000 2.218 158 K HA 0.186 4.506 4.320 -0.000 0.000 0.276 158 K C -0.167 176.464 176.600 0.051 0.000 1.022 158 K CA -0.240 56.085 56.287 0.064 0.000 0.946 158 K CB 0.719 33.266 32.500 0.079 0.000 1.000 158 K HN 0.687 nan 8.250 nan 0.000 0.468 159 M N 4.077 123.715 119.600 0.062 0.000 2.327 159 M HA -0.025 4.455 4.480 -0.000 0.000 0.353 159 M C -0.278 176.047 176.300 0.042 0.000 1.539 159 M CA 0.411 55.724 55.300 0.022 0.000 1.039 159 M CB 0.135 32.735 32.600 -0.000 0.000 1.967 159 M HN 0.488 nan 8.290 nan 0.000 0.459 160 N N 6.777 125.471 118.700 -0.010 0.000 2.663 160 N HA 0.257 4.997 4.740 -0.000 0.000 0.250 160 N C -1.319 174.153 175.510 -0.063 0.000 1.129 160 N CA -0.155 52.888 53.050 -0.012 0.000 0.995 160 N CB -0.215 38.255 38.487 -0.029 0.000 1.324 160 N HN 0.661 nan 8.380 nan 0.000 0.512 161 I N 3.537 124.098 120.570 -0.015 0.000 2.471 161 I HA 0.001 4.171 4.170 -0.000 0.000 0.286 161 I C 1.725 177.796 176.117 -0.076 0.000 1.079 161 I CA -0.211 61.036 61.300 -0.088 0.000 1.398 161 I CB 1.260 39.287 38.000 0.045 0.000 1.403 161 I HN 0.352 nan 8.210 nan 0.000 0.530 162 L N 4.316 125.436 121.223 -0.171 0.000 2.162 162 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 162 L C 0.133 176.934 176.870 -0.115 0.000 1.086 162 L CA 1.598 56.324 54.840 -0.191 0.000 0.778 162 L CB 0.243 42.080 42.059 -0.369 0.000 0.928 162 L HN 0.725 nan 8.230 nan 0.000 0.446 163 D N -1.516 118.839 120.400 -0.076 0.000 2.683 163 D HA 0.330 4.970 4.640 -0.000 0.000 0.246 163 D C -1.398 174.982 176.300 0.134 0.000 1.238 163 D CA -0.388 53.655 54.000 0.071 0.000 0.759 163 D CB 1.784 42.659 40.800 0.125 0.000 1.349 163 D HN -0.120 nan 8.370 nan 0.000 0.426 164 M N 1.691 121.435 119.600 0.241 0.000 2.326 164 M HA 0.572 5.052 4.480 -0.000 0.000 0.306 164 M C -1.053 175.484 176.300 0.396 0.000 1.054 164 M CA -0.339 55.163 55.300 0.336 0.000 0.922 164 M CB 2.322 35.119 32.600 0.328 0.000 1.632 164 M HN 0.177 nan 8.290 nan 0.000 0.436 165 L N 4.323 125.776 121.223 0.383 0.000 2.401 165 L HA 0.678 5.018 4.340 -0.000 0.000 0.266 165 L C -2.319 174.687 176.870 0.227 0.000 0.991 165 L CA -1.903 53.108 54.840 0.286 0.000 0.818 165 L CB 2.642 44.853 42.059 0.253 0.000 1.321 165 L HN 0.405 nan 8.230 nan 0.000 0.413 166 P HA 0.114 nan 4.420 nan 0.000 0.271 166 P C -1.227 176.235 177.300 0.269 0.000 1.220 166 P CA 0.204 63.250 63.100 -0.090 0.000 0.768 166 P CB 0.489 31.955 31.700 -0.389 0.000 0.848 167 F N 2.819 122.866 119.950 0.163 0.000 2.630 167 F HA 0.343 4.870 4.527 -0.000 0.000 0.325 167 F C -1.668 174.306 175.800 0.290 0.000 1.184 167 F CA -0.685 57.485 58.000 0.283 0.000 1.011 167 F CB 1.749 40.966 39.000 0.362 0.000 1.268 167 F HN 0.106 nan 8.300 nan 0.000 0.480 168 D N 4.808 125.026 120.400 -0.303 0.000 2.425 168 D HA 0.424 5.064 4.640 -0.000 0.000 0.240 168 D C 0.239 176.247 176.300 -0.486 0.000 1.080 168 D CA -0.106 53.801 54.000 -0.156 0.000 0.836 168 D CB 2.208 43.151 40.800 0.237 0.000 1.125 168 D HN 0.736 nan 8.370 nan 0.000 0.525 169 A N 2.690 125.289 122.820 -0.369 0.000 2.255 169 A HA -0.007 4.313 4.320 -0.000 0.000 0.206 169 A C 1.540 179.052 177.584 -0.120 0.000 1.193 169 A CA 0.906 52.823 52.037 -0.200 0.000 0.794 169 A CB -0.214 18.820 19.000 0.057 0.000 0.794 169 A HN 0.469 nan 8.150 nan 0.000 0.481 170 S N -1.576 113.954 115.700 -0.284 0.000 2.505 170 S HA 0.393 4.863 4.470 -0.000 0.000 0.216 170 S C -0.082 174.327 174.600 -0.318 0.000 1.018 170 S CA -0.423 57.573 58.200 -0.340 0.000 0.911 170 S CB -0.128 62.776 63.200 -0.493 0.000 0.818 170 S HN 0.156 nan 8.310 nan 0.000 0.497 171 F N 2.515 122.520 119.950 0.091 0.000 2.458 171 F HA 0.574 5.101 4.527 -0.000 0.000 0.336 171 F C 0.722 176.550 175.800 0.048 0.000 1.114 171 F CA -1.805 56.242 58.000 0.078 0.000 0.987 171 F CB 1.231 40.285 39.000 0.090 0.000 1.130 171 F HN -0.103 nan 8.300 nan 0.000 0.458 172 D N 0.336 120.888 120.400 0.252 0.000 2.201 172 D HA 0.010 4.650 4.640 -0.000 0.000 0.209 172 D C 0.924 177.186 176.300 -0.063 0.000 0.961 172 D CA 1.371 55.464 54.000 0.155 0.000 0.861 172 D CB 0.329 41.316 40.800 0.313 0.000 0.997 172 D HN 0.604 nan 8.370 nan 0.000 0.486 173 T N -3.558 110.990 114.554 -0.009 0.000 2.841 173 T HA 0.638 4.988 4.350 -0.000 0.000 0.296 173 T C 1.102 175.751 174.700 -0.085 0.000 1.166 173 T CA -0.232 61.807 62.100 -0.102 0.000 1.007 173 T CB 2.028 70.860 68.868 -0.059 0.000 1.253 173 T HN -0.091 nan 8.240 nan 0.000 0.511 174 A N 1.854 124.599 122.820 -0.125 0.000 1.881 174 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 174 A C 1.975 179.483 177.584 -0.127 0.000 1.215 174 A CA 2.312 54.260 52.037 -0.149 0.000 0.648 174 A CB -1.692 17.230 19.000 -0.130 0.000 0.832 174 A HN 0.994 nan 8.150 nan 0.000 0.455 175 N N -0.912 117.742 118.700 -0.078 0.000 2.609 175 N HA -0.098 4.642 4.740 -0.000 0.000 0.190 175 N C -0.092 175.390 175.510 -0.047 0.000 1.157 175 N CA 0.871 53.885 53.050 -0.060 0.000 0.918 175 N CB -0.263 38.205 38.487 -0.032 0.000 0.978 175 N HN 0.391 nan 8.380 nan 0.000 0.448 176 D N 0.915 121.295 120.400 -0.035 0.000 2.336 176 D HA 0.128 4.768 4.640 -0.000 0.000 0.229 176 D C 0.017 176.258 176.300 -0.098 0.000 1.061 176 D CA 0.189 54.203 54.000 0.025 0.000 0.875 176 D CB 0.325 41.216 40.800 0.151 0.000 0.904 176 D HN 0.366 nan 8.370 nan 0.000 0.525 177 I N 2.820 123.240 120.570 -0.250 0.000 2.297 177 I HA -0.023 4.147 4.170 -0.000 0.000 0.291 177 I C 0.634 176.580 176.117 -0.285 0.000 1.033 177 I CA -0.629 60.383 61.300 -0.481 0.000 1.253 177 I CB 0.605 38.339 38.000 -0.443 0.000 1.396 177 I HN -0.077 nan 8.210 nan 0.000 0.476 178 D N 6.675 126.918 120.400 -0.262 0.000 2.371 178 D HA -0.008 4.632 4.640 -0.000 0.000 0.242 178 D C 0.055 176.278 176.300 -0.128 0.000 1.218 178 D CA -0.248 53.678 54.000 -0.123 0.000 0.945 178 D CB 1.089 41.866 40.800 -0.039 0.000 1.137 178 D HN 0.375 nan 8.370 nan 0.000 0.464 179 E N -0.477 119.677 120.200 -0.077 0.000 2.463 179 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 179 E C 0.948 177.516 176.600 -0.054 0.000 1.041 179 E CA 0.063 56.424 56.400 -0.065 0.000 0.879 179 E CB 0.244 29.916 29.700 -0.046 0.000 0.997 179 E HN 0.652 nan 8.360 nan 0.000 0.478 180 E N 0.641 120.806 120.200 -0.058 0.000 2.340 180 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 180 E C 1.255 177.802 176.600 -0.088 0.000 0.996 180 E CA 0.872 57.240 56.400 -0.052 0.000 0.869 180 E CB 0.431 30.110 29.700 -0.035 0.000 0.835 180 E HN 0.186 nan 8.360 nan 0.000 0.493 181 T N -1.346 113.120 114.554 -0.146 0.000 3.088 181 T HA 0.047 4.397 4.350 -0.000 0.000 0.259 181 T C 1.752 176.378 174.700 -0.122 0.000 1.122 181 T CA 0.341 62.291 62.100 -0.250 0.000 1.095 181 T CB 0.130 68.735 68.868 -0.438 0.000 0.930 181 T HN -0.015 nan 8.240 nan 0.000 0.508 182 K N 1.252 121.602 120.400 -0.084 0.000 2.097 182 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 182 K C 1.636 178.232 176.600 -0.006 0.000 1.050 182 K CA 1.163 57.431 56.287 -0.031 0.000 0.938 182 K CB -0.081 32.394 32.500 -0.041 0.000 0.718 182 K HN 0.229 nan 8.250 nan 0.000 0.442 183 N N 0.947 119.635 118.700 -0.020 0.000 2.395 183 N HA -0.087 4.653 4.740 -0.000 0.000 0.175 183 N C 0.138 175.653 175.510 0.009 0.000 1.029 183 N CA 0.253 53.301 53.050 -0.004 0.000 0.897 183 N CB -0.367 38.113 38.487 -0.011 0.000 0.991 183 N HN 0.165 nan 8.380 nan 0.000 0.441 184 N N 2.056 120.757 118.700 0.003 0.000 2.447 184 N HA -0.057 4.683 4.740 -0.000 0.000 0.263 184 N C 1.109 176.660 175.510 0.069 0.000 1.226 184 N CA 0.143 53.211 53.050 0.029 0.000 0.906 184 N CB 0.758 39.251 38.487 0.010 0.000 1.060 184 N HN -0.009 nan 8.380 nan 0.000 0.468 185 K N 2.453 122.881 120.400 0.047 0.000 2.090 185 K HA -0.322 3.997 4.320 -0.000 0.000 0.218 185 K C 1.255 177.880 176.600 0.041 0.000 1.055 185 K CA 1.689 57.998 56.287 0.037 0.000 0.941 185 K CB 0.075 32.589 32.500 0.023 0.000 0.722 185 K HN 0.511 nan 8.250 nan 0.000 0.458 186 R N -0.685 119.847 120.500 0.053 0.000 2.073 186 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 186 R C 2.304 178.557 176.300 -0.078 0.000 1.120 186 R CA 1.532 57.616 56.100 -0.026 0.000 0.967 186 R CB -0.924 29.317 30.300 -0.099 0.000 0.862 186 R HN 0.407 nan 8.270 nan 0.000 0.436 187 Y N 0.981 121.195 120.300 -0.144 0.000 2.420 187 Y HA 0.061 4.611 4.550 -0.000 0.000 0.292 187 Y C 1.944 177.819 175.900 -0.043 0.000 1.119 187 Y CA 0.011 58.001 58.100 -0.184 0.000 1.229 187 Y CB -0.601 37.739 38.460 -0.201 0.000 1.026 187 Y HN 0.157 nan 8.280 nan 0.000 0.554 188 N N 0.730 119.514 118.700 0.141 0.000 2.055 188 N HA -0.276 4.464 4.740 -0.000 0.000 0.200 188 N C 1.288 176.850 175.510 0.086 0.000 1.037 188 N CA 2.434 55.543 53.050 0.099 0.000 0.881 188 N CB -0.369 38.156 38.487 0.062 0.000 1.075 188 N HN 0.349 nan 8.380 nan 0.000 0.470 189 M N 0.396 120.031 119.600 0.059 0.000 2.726 189 M HA 0.262 4.742 4.480 -0.000 0.000 0.211 189 M C -0.944 175.388 176.300 0.054 0.000 1.190 189 M CA 0.774 56.106 55.300 0.053 0.000 1.000 189 M CB -0.168 32.460 32.600 0.047 0.000 1.790 189 M HN 0.011 nan 8.290 nan 0.000 0.467 190 L N 1.020 122.291 121.223 0.081 0.000 2.409 190 L HA 0.625 4.964 4.340 -0.000 0.000 0.262 190 L C -0.955 176.063 176.870 0.248 0.000 0.992 190 L CA -0.927 53.973 54.840 0.099 0.000 0.817 190 L CB 2.464 44.507 42.059 -0.027 0.000 1.350 190 L HN 0.271 nan 8.230 nan 0.000 0.411 191 Q N 0.776 120.678 119.800 0.171 0.000 2.495 191 Q HA 0.530 4.870 4.340 -0.000 0.000 0.287 191 Q C -0.656 175.315 176.000 -0.048 0.000 1.078 191 Q CA -1.040 54.784 55.803 0.036 0.000 0.793 191 Q CB 1.108 29.838 28.738 -0.013 0.000 1.459 191 Q HN 0.475 nan 8.270 nan 0.000 0.422 192 N N -0.374 118.187 118.700 -0.231 0.000 2.754 192 N HA -0.225 4.515 4.740 -0.000 0.000 0.248 192 N C -0.611 174.843 175.510 -0.094 0.000 1.093 192 N CA 1.432 54.376 53.050 -0.177 0.000 0.699 192 N CB -1.693 36.749 38.487 -0.074 0.000 1.016 192 N HN 0.862 nan 8.380 nan 0.000 0.552 193 Y N -1.808 118.508 120.300 0.027 0.000 2.458 193 Y HA 0.260 4.810 4.550 -0.000 0.000 0.256 193 Y C 1.388 177.323 175.900 0.058 0.000 1.159 193 Y CA -0.101 58.035 58.100 0.059 0.000 1.261 193 Y CB -0.191 38.289 38.460 0.033 0.000 1.119 193 Y HN 0.109 nan 8.280 nan 0.000 0.524 194 T N -1.808 112.738 114.554 -0.014 0.000 2.788 194 T HA 0.209 4.559 4.350 -0.000 0.000 0.287 194 T C 1.167 175.876 174.700 0.015 0.000 1.007 194 T CA -0.368 61.753 62.100 0.036 0.000 1.005 194 T CB 1.123 69.974 68.868 -0.027 0.000 1.012 194 T HN 0.291 nan 8.240 nan 0.000 0.530 195 I N 0.520 121.096 120.570 0.009 0.000 2.142 195 I HA -0.110 4.060 4.170 -0.000 0.000 0.240 195 I C 2.929 179.054 176.117 0.014 0.000 1.078 195 I CA 1.814 63.246 61.300 0.219 0.000 1.343 195 I CB -0.444 37.742 38.000 0.310 0.000 1.046 195 I HN 0.895 nan 8.210 nan 0.000 0.405 196 E N 0.764 120.699 120.200 -0.441 0.000 2.153 196 E HA -0.268 4.081 4.350 -0.000 0.000 0.194 196 E C 1.599 178.032 176.600 -0.278 0.000 0.988 196 E CA 1.471 57.501 56.400 -0.617 0.000 0.811 196 E CB 0.058 29.195 29.700 -0.938 0.000 0.746 196 E HN 0.420 nan 8.360 nan 0.000 0.466 197 D N -0.043 120.246 120.400 -0.186 0.000 2.097 197 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 197 D C 2.063 178.322 176.300 -0.069 0.000 0.984 197 D CA 1.583 55.508 54.000 -0.124 0.000 0.826 197 D CB -0.159 40.561 40.800 -0.134 0.000 0.973 197 D HN 0.286 nan 8.370 nan 0.000 0.460 198 V N -0.458 119.470 119.914 0.024 0.000 2.719 198 V HA 0.077 4.197 4.120 -0.000 0.000 0.252 198 V C 2.095 178.110 176.094 -0.131 0.000 1.065 198 V CA 1.535 63.869 62.300 0.056 0.000 1.086 198 V CB -0.387 31.609 31.823 0.288 0.000 0.700 198 V HN 0.086 nan 8.190 nan 0.000 0.467 199 A N 1.215 123.846 122.820 -0.316 0.000 1.902 199 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 199 A C 2.029 179.396 177.584 -0.361 0.000 1.181 199 A CA 2.382 53.948 52.037 -0.785 0.000 0.623 199 A CB -1.048 17.376 19.000 -0.959 0.000 0.818 199 A HN 0.734 nan 8.150 nan 0.000 0.443 200 N N -0.357 118.220 118.700 -0.206 0.000 2.171 200 N HA -0.024 4.716 4.740 -0.000 0.000 0.184 200 N C 1.754 177.240 175.510 -0.041 0.000 1.021 200 N CA 0.747 53.749 53.050 -0.081 0.000 0.854 200 N CB -0.135 38.308 38.487 -0.074 0.000 0.994 200 N HN 0.299 nan 8.380 nan 0.000 0.426 201 L N 1.790 122.973 121.223 -0.067 0.000 1.990 201 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 201 L C 2.024 178.861 176.870 -0.054 0.000 1.072 201 L CA 1.736 56.542 54.840 -0.055 0.000 0.755 201 L CB -0.731 41.310 42.059 -0.029 0.000 0.889 201 L HN 0.269 nan 8.230 nan 0.000 0.432 202 I N -0.945 119.606 120.570 -0.031 0.000 2.127 202 I HA -0.398 3.772 4.170 -0.000 0.000 0.241 202 I C 2.546 178.698 176.117 0.058 0.000 1.075 202 I CA 1.703 63.039 61.300 0.060 0.000 1.334 202 I CB -0.625 37.373 38.000 -0.002 0.000 1.040 202 I HN 0.415 nan 8.210 nan 0.000 0.405 203 H N 1.026 120.046 119.070 -0.084 0.000 2.353 203 H HA -0.286 4.270 4.556 -0.000 0.000 0.298 203 H C 2.226 177.505 175.328 -0.081 0.000 1.103 203 H CA 2.450 58.455 56.048 -0.073 0.000 1.293 203 H CB -0.190 29.507 29.762 -0.108 0.000 1.372 203 H HN 0.402 nan 8.280 nan 0.000 0.501 204 Q N 0.189 119.857 119.800 -0.219 0.000 2.119 204 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 204 Q C 1.899 177.705 176.000 -0.324 0.000 0.972 204 Q CA 1.567 57.202 55.803 -0.279 0.000 0.847 204 Q CB 0.080 28.726 28.738 -0.154 0.000 0.903 204 Q HN 0.471 nan 8.270 nan 0.000 0.433 205 K N -1.177 118.977 120.400 -0.409 0.000 2.186 205 K HA -0.050 4.269 4.320 -0.000 0.000 0.202 205 K C 0.521 176.592 176.600 -0.881 0.000 1.052 205 K CA 0.977 56.807 56.287 -0.762 0.000 0.965 205 K CB 0.407 32.192 32.500 -1.190 0.000 0.746 205 K HN 0.304 nan 8.250 nan 0.000 0.457 206 Y N -1.008 119.242 120.300 -0.082 0.000 2.590 206 Y HA 0.250 4.800 4.550 -0.000 0.000 0.263 206 Y C 0.913 176.776 175.900 -0.062 0.000 1.069 206 Y CA -0.109 57.958 58.100 -0.055 0.000 1.242 206 Y CB 0.906 39.351 38.460 -0.026 0.000 1.357 206 Y HN 0.148 nan 8.280 nan 0.000 0.556 207 G N 1.169 109.947 108.800 -0.037 0.000 2.562 207 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.250 207 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.250 207 G C -0.485 174.496 174.900 0.134 0.000 1.269 207 G CA -0.714 44.364 45.100 -0.037 0.000 0.919 207 G HN -0.004 nan 8.290 nan 0.000 0.574 208 K N 0.895 121.379 120.400 0.139 0.000 2.448 208 K HA 0.394 4.714 4.320 -0.000 0.000 0.278 208 K C 0.984 177.650 176.600 0.109 0.000 1.009 208 K CA 0.651 57.020 56.287 0.137 0.000 0.995 208 K CB 0.345 32.904 32.500 0.098 0.000 0.917 208 K HN 0.857 nan 8.250 nan 0.000 0.481 209 I N -1.099 119.537 120.570 0.110 0.000 3.436 209 I HA 0.426 4.596 4.170 -0.000 0.000 0.296 209 I C 0.593 176.755 176.117 0.075 0.000 1.143 209 I CA -0.721 60.635 61.300 0.094 0.000 1.009 209 I CB 1.899 39.974 38.000 0.125 0.000 1.301 209 I HN 0.613 nan 8.210 nan 0.000 0.503 210 N N 0.931 119.665 118.700 0.056 0.000 2.073 210 N HA 0.226 4.966 4.740 -0.000 0.000 0.227 210 N C -1.039 174.478 175.510 0.012 0.000 1.367 210 N CA -0.221 52.849 53.050 0.032 0.000 0.775 210 N CB 0.828 39.326 38.487 0.018 0.000 1.234 210 N HN 0.679 nan 8.380 nan 0.000 0.512 211 M N 1.702 121.312 119.600 0.017 0.000 2.206 211 M HA 0.366 4.846 4.480 -0.000 0.000 0.272 211 M C -2.020 174.272 176.300 -0.014 0.000 1.012 211 M CA -0.511 54.781 55.300 -0.014 0.000 0.986 211 M CB 2.836 35.415 32.600 -0.034 0.000 1.740 211 M HN -0.026 nan 8.290 nan 0.000 0.472 212 L N 4.054 125.252 121.223 -0.041 0.000 2.346 212 L HA 0.850 5.190 4.340 -0.000 0.000 0.274 212 L C -1.254 175.541 176.870 -0.125 0.000 1.007 212 L CA -0.604 54.184 54.840 -0.087 0.000 0.818 212 L CB 2.256 44.263 42.059 -0.087 0.000 1.284 212 L HN 0.486 nan 8.230 nan 0.000 0.424 213 V N 3.742 123.532 119.914 -0.207 0.000 2.482 213 V HA 0.303 4.423 4.120 -0.000 0.000 0.295 213 V C -0.743 175.213 176.094 -0.230 0.000 1.026 213 V CA -0.710 61.479 62.300 -0.186 0.000 0.856 213 V CB 1.364 33.078 31.823 -0.182 0.000 1.001 213 V HN 0.699 nan 8.190 nan 0.000 0.424 214 H N 3.656 122.603 119.070 -0.205 0.000 2.761 214 H HA 0.398 4.954 4.556 -0.000 0.000 0.284 214 H C -0.082 175.168 175.328 -0.129 0.000 1.105 214 H CA 0.214 56.159 56.048 -0.173 0.000 1.352 214 H CB 1.549 31.243 29.762 -0.114 0.000 1.423 214 H HN 0.637 nan 8.280 nan 0.000 0.464 215 S N 6.651 122.159 115.700 -0.319 0.000 2.740 215 S HA 0.259 4.729 4.470 -0.000 0.000 0.244 215 S C -0.978 173.501 174.600 -0.202 0.000 1.101 215 S CA -0.708 57.394 58.200 -0.163 0.000 1.123 215 S CB -0.869 62.270 63.200 -0.102 0.000 1.012 215 S HN 0.602 nan 8.310 nan 0.000 0.491 216 L N -0.384 120.632 121.223 -0.346 0.000 2.371 216 L HA 1.128 5.468 4.340 -0.000 0.000 0.262 216 L C -0.640 176.161 176.870 -0.114 0.000 1.006 216 L CA -0.992 53.697 54.840 -0.252 0.000 0.818 216 L CB 1.606 43.482 42.059 -0.305 0.000 1.354 216 L HN 0.076 nan 8.230 nan 0.000 0.415 217 A N 1.419 124.176 122.820 -0.105 0.000 2.612 217 A HA 0.827 5.147 4.320 -0.000 0.000 0.293 217 A C -1.647 175.841 177.584 -0.160 0.000 1.075 217 A CA -0.516 51.481 52.037 -0.068 0.000 0.680 217 A CB 1.841 20.834 19.000 -0.012 0.000 1.279 217 A HN 0.805 nan 8.150 nan 0.000 0.411 218 N N -0.099 118.508 118.700 -0.155 0.000 2.554 218 N HA 0.530 5.270 4.740 -0.000 0.000 0.271 218 N C -1.521 173.890 175.510 -0.165 0.000 1.081 218 N CA 0.291 53.222 53.050 -0.198 0.000 0.994 218 N CB 2.125 40.447 38.487 -0.275 0.000 1.641 218 N HN 1.243 nan 8.380 nan 0.000 0.511 219 A N 3.625 126.339 122.820 -0.176 0.000 2.483 219 A HA 0.310 4.630 4.320 -0.000 0.000 0.308 219 A C 1.070 178.573 177.584 -0.135 0.000 1.291 219 A CA -0.508 51.430 52.037 -0.165 0.000 0.774 219 A CB 0.520 19.389 19.000 -0.218 0.000 1.134 219 A HN 0.763 nan 8.150 nan 0.000 0.471 220 K N 0.952 121.293 120.400 -0.097 0.000 2.117 220 K HA -0.228 4.092 4.320 -0.000 0.000 0.215 220 K C 0.629 177.193 176.600 -0.060 0.000 1.053 220 K CA 2.348 58.597 56.287 -0.062 0.000 0.935 220 K CB 0.101 32.583 32.500 -0.030 0.000 0.719 220 K HN 0.809 nan 8.250 nan 0.000 0.460 221 E N 0.466 120.628 120.200 -0.063 0.000 2.437 221 E HA 0.006 4.356 4.350 -0.000 0.000 0.195 221 E C 1.103 177.654 176.600 -0.082 0.000 1.029 221 E CA -0.164 56.205 56.400 -0.051 0.000 0.948 221 E CB 0.623 30.310 29.700 -0.021 0.000 1.082 221 E HN 0.035 nan 8.360 nan 0.000 0.456 222 V N 1.311 121.147 119.914 -0.131 0.000 2.527 222 V HA -0.362 3.758 4.120 -0.000 0.000 0.255 222 V C 1.909 177.907 176.094 -0.160 0.000 1.081 222 V CA 2.110 64.292 62.300 -0.197 0.000 1.092 222 V CB -0.135 31.523 31.823 -0.274 0.000 0.673 222 V HN 0.397 nan 8.190 nan 0.000 0.470 223 Q N -0.725 119.012 119.800 -0.103 0.000 2.187 223 Q HA -0.029 4.311 4.340 -0.000 0.000 0.199 223 Q C 0.881 176.855 176.000 -0.042 0.000 0.957 223 Q CA 0.564 56.325 55.803 -0.070 0.000 0.857 223 Q CB 0.068 28.781 28.738 -0.042 0.000 0.929 223 Q HN 0.550 nan 8.270 nan 0.000 0.453 224 K N 2.480 122.860 120.400 -0.035 0.000 2.298 224 K HA 0.030 4.350 4.320 -0.000 0.000 0.280 224 K C -0.544 176.049 176.600 -0.011 0.000 1.032 224 K CA -0.319 55.960 56.287 -0.014 0.000 0.958 224 K CB 0.620 33.116 32.500 -0.006 0.000 0.978 224 K HN 0.105 nan 8.250 nan 0.000 0.472 225 D N 1.403 121.807 120.400 0.005 0.000 2.360 225 D HA -0.061 4.579 4.640 -0.000 0.000 0.242 225 D C 1.126 177.444 176.300 0.030 0.000 1.184 225 D CA -0.496 53.515 54.000 0.019 0.000 0.930 225 D CB 0.613 41.431 40.800 0.030 0.000 1.161 225 D HN 0.258 nan 8.370 nan 0.000 0.447 226 L N 0.131 121.383 121.223 0.048 0.000 2.051 226 L HA -0.190 4.150 4.340 -0.000 0.000 0.214 226 L C 2.210 179.112 176.870 0.054 0.000 1.076 226 L CA 1.356 56.241 54.840 0.075 0.000 0.758 226 L CB -0.348 41.768 42.059 0.095 0.000 0.890 226 L HN 0.625 nan 8.230 nan 0.000 0.433 227 L N -0.457 120.786 121.223 0.034 0.000 2.127 227 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 227 L C 1.064 177.940 176.870 0.010 0.000 1.089 227 L CA 1.637 56.486 54.840 0.015 0.000 0.757 227 L CB -0.259 41.808 42.059 0.014 0.000 0.899 227 L HN 0.426 nan 8.230 nan 0.000 0.434 228 N N -1.445 117.265 118.700 0.016 0.000 2.273 228 N HA 0.047 4.787 4.740 -0.000 0.000 0.231 228 N C -0.642 174.878 175.510 0.017 0.000 1.134 228 N CA -0.217 52.840 53.050 0.011 0.000 0.856 228 N CB 0.609 39.101 38.487 0.010 0.000 1.068 228 N HN 0.043 nan 8.380 nan 0.000 0.510 229 T N 0.371 114.943 114.554 0.030 0.000 2.767 229 T HA 0.239 4.589 4.350 -0.000 0.000 0.288 229 T C 0.387 175.114 174.700 0.045 0.000 0.963 229 T CA -0.695 61.435 62.100 0.051 0.000 1.019 229 T CB 1.210 70.139 68.868 0.101 0.000 0.923 229 T HN 0.127 nan 8.240 nan 0.000 0.468 230 S N 3.167 118.893 115.700 0.043 0.000 2.617 230 S HA 0.332 4.802 4.470 -0.000 0.000 0.269 230 S C 1.400 176.031 174.600 0.051 0.000 1.292 230 S CA -0.929 57.288 58.200 0.028 0.000 1.010 230 S CB 1.236 64.450 63.200 0.022 0.000 0.944 230 S HN 0.759 nan 8.310 nan 0.000 0.536 231 R N 1.510 122.021 120.500 0.019 0.000 2.136 231 R HA -0.247 4.093 4.340 -0.000 0.000 0.242 231 R C 2.377 178.724 176.300 0.078 0.000 1.131 231 R CA 2.371 58.490 56.100 0.032 0.000 0.937 231 R CB -0.627 29.675 30.300 0.003 0.000 0.863 231 R HN 0.907 nan 8.270 nan 0.000 0.435 232 K N -0.878 119.553 120.400 0.051 0.000 2.034 232 K HA -0.178 4.142 4.320 -0.000 0.000 0.214 232 K C 1.935 178.569 176.600 0.058 0.000 1.051 232 K CA 2.173 58.489 56.287 0.048 0.000 0.931 232 K CB -0.619 31.900 32.500 0.032 0.000 0.715 232 K HN 0.353 nan 8.250 nan 0.000 0.446 233 G N -0.426 108.411 108.800 0.063 0.000 2.394 233 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.214 233 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.214 233 G C 1.396 176.336 174.900 0.067 0.000 1.176 233 G CA 0.800 45.928 45.100 0.047 0.000 0.786 233 G HN 0.475 nan 8.290 nan 0.000 0.533 234 Y N 1.111 121.398 120.300 -0.021 0.000 2.081 234 Y HA -0.156 4.394 4.550 -0.000 0.000 0.280 234 Y C 2.656 178.548 175.900 -0.013 0.000 1.163 234 Y CA 1.725 59.813 58.100 -0.019 0.000 1.135 234 Y CB -0.180 38.273 38.460 -0.012 0.000 0.970 234 Y HN 0.088 nan 8.280 nan 0.000 0.498 235 L N -0.405 120.935 121.223 0.195 0.000 2.093 235 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 235 L C 2.045 178.927 176.870 0.020 0.000 1.085 235 L CA 1.762 56.670 54.840 0.113 0.000 0.755 235 L CB -0.581 41.548 42.059 0.116 0.000 0.904 235 L HN 0.266 nan 8.230 nan 0.000 0.435 236 D N -0.013 120.394 120.400 0.012 0.000 2.178 236 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 236 D C 2.178 178.447 176.300 -0.051 0.000 0.974 236 D CA 1.056 55.048 54.000 -0.014 0.000 0.841 236 D CB 0.247 41.043 40.800 -0.007 0.000 0.953 236 D HN 0.245 nan 8.370 nan 0.000 0.478 237 A N -0.071 122.696 122.820 -0.089 0.000 1.902 237 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 237 A C 2.172 179.683 177.584 -0.123 0.000 1.181 237 A CA 0.992 52.948 52.037 -0.136 0.000 0.623 237 A CB -0.801 18.077 19.000 -0.204 0.000 0.818 237 A HN 0.342 nan 8.150 nan 0.000 0.443 238 L N -0.610 120.530 121.223 -0.140 0.000 2.217 238 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 238 L C 2.882 179.763 176.870 0.019 0.000 1.107 238 L CA 1.428 56.218 54.840 -0.084 0.000 0.783 238 L CB -0.196 41.800 42.059 -0.104 0.000 0.919 238 L HN 0.504 nan 8.230 nan 0.000 0.442 239 S N -0.398 115.318 115.700 0.026 0.000 2.345 239 S HA -0.177 4.293 4.470 -0.000 0.000 0.219 239 S C 2.114 176.768 174.600 0.091 0.000 1.031 239 S CA 1.219 59.473 58.200 0.089 0.000 0.984 239 S CB 0.028 63.254 63.200 0.044 0.000 0.874 239 S HN 0.175 nan 8.310 nan 0.000 0.451 240 K N 1.190 121.599 120.400 0.016 0.000 2.057 240 K HA 0.103 4.423 4.320 -0.000 0.000 0.207 240 K C 2.209 178.835 176.600 0.043 0.000 1.049 240 K CA 1.907 58.188 56.287 -0.009 0.000 0.931 240 K CB -0.252 32.197 32.500 -0.084 0.000 0.714 240 K HN 0.430 nan 8.250 nan 0.000 0.440 241 S N -1.150 114.568 115.700 0.029 0.000 2.502 241 S HA 0.158 4.628 4.470 -0.000 0.000 0.215 241 S C 1.456 176.081 174.600 0.041 0.000 1.009 241 S CA 0.084 58.324 58.200 0.066 0.000 0.908 241 S CB 0.672 63.877 63.200 0.009 0.000 0.801 241 S HN 0.067 nan 8.310 nan 0.000 0.505 242 S N 0.115 115.827 115.700 0.020 0.000 2.979 242 S HA 0.217 4.687 4.470 -0.000 0.000 0.243 242 S C 1.349 175.952 174.600 0.005 0.000 1.036 242 S CA -0.242 57.946 58.200 -0.019 0.000 0.846 242 S CB -0.576 62.628 63.200 0.006 0.000 0.806 242 S HN 0.457 nan 8.310 nan 0.000 0.568 243 Y N 3.867 124.165 120.300 -0.003 0.000 2.333 243 Y HA -0.159 4.391 4.550 -0.000 0.000 0.290 243 Y C 2.553 178.493 175.900 0.065 0.000 1.144 243 Y CA 1.310 59.426 58.100 0.027 0.000 1.228 243 Y CB -0.567 37.915 38.460 0.037 0.000 0.985 243 Y HN 0.383 nan 8.280 nan 0.000 0.542 244 S N -0.049 115.668 115.700 0.029 0.000 2.374 244 S HA -0.285 4.185 4.470 -0.000 0.000 0.227 244 S C 1.999 176.617 174.600 0.030 0.000 1.037 244 S CA 1.512 59.758 58.200 0.076 0.000 1.024 244 S CB -1.239 62.115 63.200 0.257 0.000 0.861 244 S HN 0.475 nan 8.310 nan 0.000 0.456 245 L N 1.688 122.837 121.223 -0.123 0.000 1.970 245 L HA 0.033 4.373 4.340 -0.000 0.000 0.212 245 L C 2.358 179.136 176.870 -0.152 0.000 1.071 245 L CA 1.722 56.439 54.840 -0.205 0.000 0.751 245 L CB -0.823 40.972 42.059 -0.439 0.000 0.889 245 L HN 0.361 nan 8.230 nan 0.000 0.432 246 I N -0.990 119.432 120.570 -0.247 0.000 2.151 246 I HA -0.378 3.792 4.170 -0.000 0.000 0.243 246 I C 2.724 178.690 176.117 -0.251 0.000 1.080 246 I CA 1.729 62.883 61.300 -0.243 0.000 1.339 246 I CB -0.585 37.253 38.000 -0.269 0.000 1.039 246 I HN 0.377 nan 8.210 nan 0.000 0.409 247 S N 0.503 115.963 115.700 -0.399 0.000 2.359 247 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 247 S C 2.078 176.797 174.600 0.199 0.000 1.035 247 S CA 1.326 59.463 58.200 -0.105 0.000 1.018 247 S CB -0.329 62.838 63.200 -0.055 0.000 0.876 247 S HN 0.327 nan 8.310 nan 0.000 0.448 248 L N 0.748 122.098 121.223 0.212 0.000 1.990 248 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 248 L C 2.709 179.753 176.870 0.290 0.000 1.072 248 L CA 1.916 56.953 54.840 0.328 0.000 0.755 248 L CB -0.814 41.331 42.059 0.142 0.000 0.889 248 L HN 0.505 nan 8.230 nan 0.000 0.432 249 C N -0.717 118.637 119.300 0.090 0.000 2.413 249 C HA -0.197 4.263 4.460 -0.000 0.000 0.276 249 C C 2.815 177.791 174.990 -0.023 0.000 1.248 249 C CA 0.730 59.763 59.018 0.024 0.000 1.742 249 C CB -0.806 26.911 27.740 -0.038 0.000 2.017 249 C HN 0.452 nan 8.230 nan 0.000 0.481 250 K N -0.344 120.008 120.400 -0.080 0.000 2.044 250 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 250 K C 1.739 178.170 176.600 -0.281 0.000 1.049 250 K CA 1.963 58.103 56.287 -0.244 0.000 0.927 250 K CB -0.259 32.005 32.500 -0.393 0.000 0.713 250 K HN 0.602 nan 8.250 nan 0.000 0.443 251 Y N -1.335 119.015 120.300 0.083 0.000 2.448 251 Y HA 0.029 4.579 4.550 -0.000 0.000 0.289 251 Y C 1.741 177.589 175.900 -0.088 0.000 1.114 251 Y CA 0.497 58.606 58.100 0.016 0.000 1.235 251 Y CB 0.047 38.536 38.460 0.048 0.000 1.045 251 Y HN 0.006 nan 8.280 nan 0.000 0.554 252 F N -2.205 117.798 119.950 0.087 0.000 2.473 252 F HA -0.049 4.478 4.527 -0.000 0.000 0.294 252 F C 2.241 178.005 175.800 -0.060 0.000 1.103 252 F CA 0.438 58.456 58.000 0.030 0.000 1.442 252 F CB -0.392 38.648 39.000 0.067 0.000 1.097 252 F HN -0.240 nan 8.300 nan 0.000 0.547 253 V N 0.786 120.701 119.914 0.001 0.000 2.794 253 V HA -0.330 3.790 4.120 -0.000 0.000 0.260 253 V C 1.369 177.352 176.094 -0.185 0.000 1.103 253 V CA 2.213 64.388 62.300 -0.207 0.000 1.125 253 V CB -0.747 30.751 31.823 -0.541 0.000 0.702 253 V HN 0.400 nan 8.190 nan 0.000 0.494 254 N N 0.276 118.896 118.700 -0.134 0.000 2.354 254 N HA 0.027 4.767 4.740 -0.000 0.000 0.179 254 N C 1.328 176.747 175.510 -0.151 0.000 1.021 254 N CA 1.416 54.391 53.050 -0.124 0.000 0.887 254 N CB -0.076 38.327 38.487 -0.141 0.000 0.974 254 N HN 0.731 nan 8.380 nan 0.000 0.437 255 I N -2.199 118.283 120.570 -0.147 0.000 3.874 255 I HA 0.337 4.507 4.170 -0.000 0.000 0.331 255 I C -0.483 175.648 176.117 0.024 0.000 1.489 255 I CA -0.217 61.019 61.300 -0.107 0.000 1.187 255 I CB -0.027 37.888 38.000 -0.143 0.000 1.150 255 I HN -0.120 nan 8.210 nan 0.000 0.412 256 M N 0.939 120.550 119.600 0.018 0.000 2.662 256 M HA 0.544 5.024 4.480 -0.000 0.000 0.310 256 M C -0.417 175.910 176.300 0.046 0.000 1.204 256 M CA -0.689 54.639 55.300 0.046 0.000 0.891 256 M CB 2.321 34.947 32.600 0.044 0.000 1.732 256 M HN -0.004 nan 8.290 nan 0.000 0.467 257 K N 0.867 121.295 120.400 0.048 0.000 2.098 257 K HA 0.501 4.821 4.320 -0.000 0.000 0.257 257 K C -2.572 174.057 176.600 0.048 0.000 0.999 257 K CA -1.699 54.616 56.287 0.047 0.000 0.924 257 K CB -0.052 32.471 32.500 0.038 0.000 1.028 257 K HN 0.223 nan 8.250 nan 0.000 0.466 258 P HA -0.037 nan 4.420 nan 0.000 0.269 258 P C -0.665 176.654 177.300 0.031 0.000 1.215 258 P CA 0.295 63.426 63.100 0.051 0.000 0.780 258 P CB 0.426 32.150 31.700 0.040 0.000 0.898 259 Q N -2.298 117.517 119.800 0.025 0.000 2.342 259 Q HA -0.152 4.188 4.340 -0.000 0.000 0.196 259 Q C 0.010 176.007 176.000 -0.005 0.000 0.629 259 Q CA 0.657 56.463 55.803 0.005 0.000 1.365 259 Q CB -2.336 26.401 28.738 -0.001 0.000 1.406 259 Q HN 0.455 nan 8.270 nan 0.000 0.840 260 S N 0.049 115.752 115.700 0.005 0.000 2.580 260 S HA 0.336 4.806 4.470 -0.000 0.000 0.261 260 S C 0.156 174.745 174.600 -0.019 0.000 1.366 260 S CA -0.005 58.194 58.200 -0.003 0.000 0.996 260 S CB 1.532 64.739 63.200 0.012 0.000 0.902 260 S HN 0.304 nan 8.310 nan 0.000 0.566 261 S N -0.019 115.663 115.700 -0.030 0.000 2.541 261 S HA 0.687 5.157 4.470 -0.000 0.000 0.280 261 S C -1.159 173.413 174.600 -0.046 0.000 1.112 261 S CA -0.732 57.440 58.200 -0.047 0.000 0.925 261 S CB 0.377 63.532 63.200 -0.075 0.000 1.067 261 S HN 0.523 nan 8.310 nan 0.000 0.479 262 I N 4.855 125.395 120.570 -0.050 0.000 2.509 262 I HA 0.603 4.772 4.170 -0.000 0.000 0.293 262 I C -0.476 175.606 176.117 -0.058 0.000 1.020 262 I CA -0.916 60.352 61.300 -0.053 0.000 1.088 262 I CB 1.834 39.806 38.000 -0.047 0.000 1.267 262 I HN 0.650 nan 8.210 nan 0.000 0.430 263 I N 2.030 122.565 120.570 -0.060 0.000 3.042 263 I HA 0.860 5.030 4.170 -0.000 0.000 0.310 263 I C -0.522 175.572 176.117 -0.038 0.000 1.117 263 I CA -0.435 60.832 61.300 -0.055 0.000 1.003 263 I CB 2.448 40.413 38.000 -0.058 0.000 1.228 263 I HN 0.579 nan 8.210 nan 0.000 0.443 264 S N 3.708 119.386 115.700 -0.038 0.000 2.569 264 S HA 0.733 5.203 4.470 -0.000 0.000 0.280 264 S C -0.961 173.625 174.600 -0.023 0.000 1.111 264 S CA -0.905 57.296 58.200 0.002 0.000 0.887 264 S CB 1.768 64.927 63.200 -0.068 0.000 1.095 264 S HN 0.564 nan 8.310 nan 0.000 0.476 265 L N 1.643 122.873 121.223 0.012 0.000 2.399 265 L HA 0.843 5.183 4.340 -0.000 0.000 0.265 265 L C 0.688 177.556 176.870 -0.003 0.000 1.089 265 L CA 0.151 54.967 54.840 -0.040 0.000 0.802 265 L CB 1.298 43.320 42.059 -0.061 0.000 1.180 265 L HN 1.107 nan 8.230 nan 0.000 0.454 266 T N 0.634 115.177 114.554 -0.018 0.000 2.769 266 T HA 0.524 4.874 4.350 -0.000 0.000 0.306 266 T C -2.021 172.751 174.700 0.120 0.000 1.400 266 T CA -0.354 61.770 62.100 0.040 0.000 1.007 266 T CB 1.214 70.068 68.868 -0.023 0.000 1.392 266 T HN 0.355 nan 8.240 nan 0.000 0.500 267 Y N 1.242 121.534 120.300 -0.014 0.000 2.406 267 Y HA 0.451 5.001 4.550 -0.000 0.000 0.340 267 Y C 0.858 176.766 175.900 0.013 0.000 0.975 267 Y CA -0.989 57.100 58.100 -0.017 0.000 1.056 267 Y CB 1.581 39.989 38.460 -0.086 0.000 1.210 267 Y HN 0.969 nan 8.280 nan 0.000 0.448 268 H N 3.883 122.646 119.070 -0.511 0.000 2.550 268 H HA -0.123 4.433 4.556 -0.000 0.000 0.292 268 H C 1.650 176.724 175.328 -0.424 0.000 1.072 268 H CA 1.632 57.488 56.048 -0.320 0.000 1.217 268 H CB 0.134 29.782 29.762 -0.190 0.000 1.355 268 H HN 0.739 nan 8.280 nan 0.000 0.586 269 A N -0.471 121.915 122.820 -0.724 0.000 2.070 269 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 269 A C 2.550 180.026 177.584 -0.180 0.000 1.159 269 A CA 1.460 53.239 52.037 -0.429 0.000 0.656 269 A CB -0.696 18.013 19.000 -0.485 0.000 0.800 269 A HN 0.634 nan 8.150 nan 0.000 0.453 270 S N -1.154 114.465 115.700 -0.136 0.000 2.428 270 S HA -0.127 4.343 4.470 -0.000 0.000 0.230 270 S C 1.719 176.260 174.600 -0.098 0.000 1.014 270 S CA 1.172 59.342 58.200 -0.050 0.000 0.957 270 S CB -0.148 63.047 63.200 -0.009 0.000 0.784 270 S HN 0.575 nan 8.310 nan 0.000 0.499 271 Q N 0.411 120.079 119.800 -0.221 0.000 2.396 271 Q HA 0.366 4.706 4.340 -0.000 0.000 0.220 271 Q C -0.130 175.700 176.000 -0.283 0.000 0.900 271 Q CA 0.732 56.405 55.803 -0.218 0.000 0.925 271 Q CB 0.308 28.952 28.738 -0.157 0.000 1.065 271 Q HN 0.423 nan 8.270 nan 0.000 0.535 272 K N 0.629 120.764 120.400 -0.441 0.000 2.464 272 K HA 0.326 4.646 4.320 -0.000 0.000 0.253 272 K C -0.796 175.690 176.600 -0.189 0.000 0.933 272 K CA -0.767 55.352 56.287 -0.281 0.000 0.801 272 K CB 2.890 35.219 32.500 -0.285 0.000 1.271 272 K HN -0.060 nan 8.250 nan 0.000 0.430 273 V N 2.114 121.985 119.914 -0.071 0.000 2.508 273 V HA 0.253 4.373 4.120 -0.000 0.000 0.281 273 V C -0.228 175.877 176.094 0.020 0.000 1.041 273 V CA -0.383 61.912 62.300 -0.008 0.000 1.016 273 V CB 0.639 32.478 31.823 0.027 0.000 0.984 273 V HN 0.434 nan 8.190 nan 0.000 0.478 274 V N 5.153 125.112 119.914 0.076 0.000 2.293 274 V HA 0.579 4.699 4.120 -0.000 0.000 0.275 274 V C -2.344 173.907 176.094 0.262 0.000 1.021 274 V CA -2.312 60.096 62.300 0.181 0.000 0.815 274 V CB 0.445 32.433 31.823 0.275 0.000 1.025 274 V HN 0.836 nan 8.190 nan 0.000 0.448 275 P HA 0.369 nan 4.420 nan 0.000 0.264 275 P C 1.154 178.615 177.300 0.269 0.000 1.193 275 P CA 1.589 64.797 63.100 0.181 0.000 0.763 275 P CB 0.920 32.692 31.700 0.120 0.000 0.810 276 G N 2.309 111.228 108.800 0.199 0.000 2.238 276 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 276 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 276 G C 0.041 174.918 174.900 -0.039 0.000 0.996 276 G CA -0.444 44.749 45.100 0.155 0.000 0.632 276 G HN 0.521 nan 8.290 nan 0.000 0.503 277 Y N 3.220 123.478 120.300 -0.069 0.000 2.826 277 Y HA 0.543 5.093 4.550 -0.000 0.000 0.371 277 Y C 1.256 177.116 175.900 -0.066 0.000 1.252 277 Y CA 0.042 58.054 58.100 -0.147 0.000 1.813 277 Y CB -0.343 38.158 38.460 0.069 0.000 1.913 277 Y HN 0.367 nan 8.280 nan 0.000 0.447 278 G N -0.092 108.608 108.800 -0.166 0.000 2.531 278 G HA2 0.421 4.381 3.960 -0.000 0.000 0.253 278 G HA3 0.421 4.381 3.960 -0.000 0.000 0.253 278 G C 0.892 175.688 174.900 -0.174 0.000 1.439 278 G CA -0.279 44.759 45.100 -0.104 0.000 1.056 278 G HN 0.880 nan 8.290 nan 0.000 0.555 279 G N -2.352 106.397 108.800 -0.086 0.000 2.212 279 G HA2 0.201 4.161 3.960 -0.000 0.000 0.266 279 G HA3 0.201 4.161 3.960 -0.000 0.000 0.266 279 G C 1.534 176.380 174.900 -0.090 0.000 0.978 279 G CA 1.274 46.324 45.100 -0.083 0.000 0.632 279 G HN 2.548 nan 8.290 nan 0.000 0.537 280 G N -1.449 107.292 108.800 -0.098 0.000 2.176 280 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.232 280 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.232 280 G C 1.187 175.942 174.900 -0.241 0.000 0.986 280 G CA 0.904 45.878 45.100 -0.210 0.000 0.643 280 G HN 0.691 nan 8.290 nan 0.000 0.522 281 M N 2.053 121.500 119.600 -0.255 0.000 2.073 281 M HA -0.134 4.346 4.480 -0.000 0.000 0.258 281 M C 2.958 179.281 176.300 0.037 0.000 1.070 281 M CA 2.716 57.856 55.300 -0.267 0.000 1.103 281 M CB -1.438 30.687 32.600 -0.792 0.000 1.321 281 M HN 0.863 nan 8.290 nan 0.000 0.405 282 S N -0.587 115.226 115.700 0.189 0.000 2.359 282 S HA -0.145 4.324 4.470 -0.000 0.000 0.224 282 S C 2.054 176.726 174.600 0.120 0.000 1.035 282 S CA 1.921 60.308 58.200 0.312 0.000 1.018 282 S CB -0.812 62.562 63.200 0.291 0.000 0.876 282 S HN 0.473 nan 8.310 nan 0.000 0.448 283 S N 2.767 118.487 115.700 0.033 0.000 2.359 283 S HA 0.011 4.481 4.470 -0.000 0.000 0.224 283 S C 2.395 176.959 174.600 -0.059 0.000 1.035 283 S CA 1.189 59.376 58.200 -0.021 0.000 1.018 283 S CB -1.061 62.053 63.200 -0.144 0.000 0.876 283 S HN 0.831 nan 8.310 nan 0.000 0.448 284 A N 2.092 124.847 122.820 -0.107 0.000 1.883 284 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 284 A C 2.095 179.677 177.584 -0.003 0.000 1.186 284 A CA 1.386 53.376 52.037 -0.078 0.000 0.624 284 A CB -0.394 18.549 19.000 -0.094 0.000 0.822 284 A HN 0.230 nan 8.150 nan 0.000 0.444 285 K N -0.038 120.397 120.400 0.058 0.000 2.097 285 K HA -0.007 4.313 4.320 -0.000 0.000 0.206 285 K C 2.244 178.864 176.600 0.033 0.000 1.049 285 K CA 1.323 57.655 56.287 0.075 0.000 0.933 285 K CB -0.949 31.645 32.500 0.158 0.000 0.717 285 K HN 0.460 nan 8.250 nan 0.000 0.442 286 A N 1.430 124.271 122.820 0.034 0.000 1.877 286 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 286 A C 2.419 180.011 177.584 0.014 0.000 1.186 286 A CA 2.240 54.290 52.037 0.021 0.000 0.620 286 A CB -0.659 18.359 19.000 0.029 0.000 0.822 286 A HN 0.296 nan 8.150 nan 0.000 0.443 287 A N -0.624 122.203 122.820 0.012 0.000 1.930 287 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 287 A C 2.200 179.782 177.584 -0.003 0.000 1.175 287 A CA 1.422 53.466 52.037 0.013 0.000 0.627 287 A CB -0.602 18.408 19.000 0.017 0.000 0.815 287 A HN 0.524 nan 8.150 nan 0.000 0.443 288 L N -0.343 120.868 121.223 -0.020 0.000 1.970 288 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 288 L C 2.627 179.472 176.870 -0.043 0.000 1.071 288 L CA 2.223 57.032 54.840 -0.051 0.000 0.751 288 L CB -0.405 41.615 42.059 -0.065 0.000 0.889 288 L HN 0.506 nan 8.230 nan 0.000 0.432 289 E N -1.154 119.029 120.200 -0.029 0.000 2.097 289 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 289 E C 2.237 178.825 176.600 -0.019 0.000 1.000 289 E CA 1.605 57.987 56.400 -0.030 0.000 0.804 289 E CB -0.160 29.527 29.700 -0.021 0.000 0.740 289 E HN 0.455 nan 8.360 nan 0.000 0.454 290 S N 0.510 116.205 115.700 -0.007 0.000 2.345 290 S HA -0.161 4.309 4.470 -0.000 0.000 0.219 290 S C 1.503 176.103 174.600 0.001 0.000 1.031 290 S CA 1.327 59.527 58.200 -0.001 0.000 0.984 290 S CB -0.263 62.942 63.200 0.008 0.000 0.874 290 S HN 0.135 nan 8.310 nan 0.000 0.451 291 D N 0.969 121.371 120.400 0.004 0.000 2.191 291 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 291 D C 1.975 178.273 176.300 -0.003 0.000 1.003 291 D CA 1.679 55.684 54.000 0.009 0.000 0.867 291 D CB -1.051 39.749 40.800 -0.000 0.000 0.926 291 D HN 0.416 nan 8.370 nan 0.000 0.450 292 T N 0.594 115.134 114.554 -0.023 0.000 2.720 292 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 292 T C 2.012 176.706 174.700 -0.011 0.000 1.037 292 T CA 1.123 63.207 62.100 -0.028 0.000 1.144 292 T CB 0.022 68.864 68.868 -0.044 0.000 0.864 292 T HN 0.182 nan 8.240 nan 0.000 0.444 293 R N 0.176 120.671 120.500 -0.008 0.000 2.082 293 R HA -0.054 4.286 4.340 -0.000 0.000 0.228 293 R C 2.560 178.860 176.300 0.001 0.000 1.140 293 R CA 1.307 57.404 56.100 -0.004 0.000 0.920 293 R CB -0.983 29.310 30.300 -0.011 0.000 0.828 293 R HN 0.180 nan 8.270 nan 0.000 0.430 294 V N 1.903 121.813 119.914 -0.006 0.000 2.250 294 V HA -0.321 3.799 4.120 -0.000 0.000 0.253 294 V C 2.440 178.534 176.094 -0.001 0.000 1.065 294 V CA 2.003 64.292 62.300 -0.019 0.000 1.039 294 V CB -0.579 31.255 31.823 0.019 0.000 0.647 294 V HN 0.335 nan 8.190 nan 0.000 0.446 295 L N -0.371 120.884 121.223 0.054 0.000 2.013 295 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 295 L C 2.772 179.679 176.870 0.062 0.000 1.073 295 L CA 1.748 56.640 54.840 0.086 0.000 0.753 295 L CB -0.904 41.183 42.059 0.046 0.000 0.890 295 L HN 0.424 nan 8.230 nan 0.000 0.432 296 A N -0.463 122.378 122.820 0.035 0.000 1.915 296 A HA -0.349 3.971 4.320 -0.000 0.000 0.220 296 A C 2.135 179.749 177.584 0.049 0.000 1.198 296 A CA 2.356 54.413 52.037 0.034 0.000 0.647 296 A CB -1.139 17.877 19.000 0.027 0.000 0.825 296 A HN 0.521 nan 8.150 nan 0.000 0.456 297 Y N 0.413 120.655 120.300 -0.097 0.000 2.036 297 Y HA -0.305 4.244 4.550 -0.000 0.000 0.273 297 Y C 2.639 178.498 175.900 -0.069 0.000 1.135 297 Y CA 2.391 60.410 58.100 -0.135 0.000 1.106 297 Y CB -0.742 37.564 38.460 -0.256 0.000 0.976 297 Y HN 0.516 nan 8.280 nan 0.000 0.483 298 H N 0.118 119.148 119.070 -0.068 0.000 2.289 298 H HA -0.200 4.356 4.556 -0.000 0.000 0.296 298 H C 2.514 177.838 175.328 -0.007 0.000 1.091 298 H CA 2.125 58.111 56.048 -0.104 0.000 1.274 298 H CB -0.922 28.874 29.762 0.057 0.000 1.364 298 H HN 0.402 nan 8.280 nan 0.000 0.490 299 L N -0.133 121.198 121.223 0.180 0.000 2.131 299 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 299 L C 2.718 179.671 176.870 0.138 0.000 1.092 299 L CA 1.027 55.981 54.840 0.189 0.000 0.759 299 L CB -0.508 41.596 42.059 0.075 0.000 0.903 299 L HN 0.313 nan 8.230 nan 0.000 0.435 300 G N -0.865 107.953 108.800 0.030 0.000 2.425 300 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.213 300 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.213 300 G C 1.648 176.515 174.900 -0.056 0.000 1.201 300 G CA -0.046 45.051 45.100 -0.005 0.000 0.799 300 G HN 0.057 nan 8.290 nan 0.000 0.534 301 R N 1.016 121.415 120.500 -0.169 0.000 2.094 301 R HA -0.070 4.270 4.340 -0.000 0.000 0.239 301 R C 2.274 178.475 176.300 -0.165 0.000 1.137 301 R CA 1.739 57.712 56.100 -0.211 0.000 0.943 301 R CB -1.287 28.758 30.300 -0.424 0.000 0.850 301 R HN 0.521 nan 8.270 nan 0.000 0.433 302 N N -1.247 117.352 118.700 -0.170 0.000 2.333 302 N HA -0.082 4.658 4.740 -0.000 0.000 0.178 302 N C 0.756 175.970 175.510 -0.493 0.000 1.018 302 N CA 0.804 53.650 53.050 -0.340 0.000 0.882 302 N CB 0.078 38.313 38.487 -0.420 0.000 0.984 302 N HN 0.255 nan 8.380 nan 0.000 0.434 303 Y N -0.562 119.711 120.300 -0.046 0.000 2.527 303 Y HA 0.258 4.807 4.550 -0.000 0.000 0.247 303 Y C 0.200 176.084 175.900 -0.027 0.000 1.138 303 Y CA -0.661 57.421 58.100 -0.030 0.000 1.228 303 Y CB 0.250 38.698 38.460 -0.020 0.000 1.252 303 Y HN -0.101 nan 8.280 nan 0.000 0.531 304 N N 1.473 120.219 118.700 0.076 0.000 2.716 304 N HA -0.230 4.510 4.740 -0.000 0.000 0.250 304 N C -1.089 174.455 175.510 0.056 0.000 1.033 304 N CA 0.517 53.592 53.050 0.042 0.000 0.727 304 N CB -1.217 37.281 38.487 0.019 0.000 0.950 304 N HN 0.437 nan 8.380 nan 0.000 0.541 305 I N 0.682 121.300 120.570 0.080 0.000 2.404 305 I HA 0.330 4.500 4.170 -0.000 0.000 0.293 305 I C 0.726 176.855 176.117 0.019 0.000 0.992 305 I CA -0.804 60.524 61.300 0.045 0.000 1.149 305 I CB 1.519 39.545 38.000 0.044 0.000 1.315 305 I HN 0.022 nan 8.210 nan 0.000 0.446 306 R N 5.777 126.273 120.500 -0.006 0.000 2.532 306 R HA 0.736 5.076 4.340 -0.000 0.000 0.272 306 R C -0.765 175.520 176.300 -0.025 0.000 1.032 306 R CA -0.736 55.353 56.100 -0.018 0.000 1.089 306 R CB 1.980 32.257 30.300 -0.038 0.000 1.098 306 R HN 0.550 nan 8.270 nan 0.000 0.526 307 I N 0.885 121.440 120.570 -0.025 0.000 2.722 307 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 307 I C -1.571 174.525 176.117 -0.035 0.000 1.267 307 I CA -0.549 60.731 61.300 -0.033 0.000 1.036 307 I CB 1.915 39.899 38.000 -0.028 0.000 1.281 307 I HN 0.662 nan 8.210 nan 0.000 0.423 308 N N 3.257 121.930 118.700 -0.045 0.000 2.774 308 N HA 0.447 5.187 4.740 -0.000 0.000 0.264 308 N C -1.582 173.893 175.510 -0.058 0.000 1.415 308 N CA -0.544 52.479 53.050 -0.046 0.000 0.815 308 N CB 2.422 40.884 38.487 -0.042 0.000 1.514 308 N HN 0.485 nan 8.380 nan 0.000 0.523 309 T N 0.478 114.991 114.554 -0.069 0.000 2.881 309 T HA 0.588 4.937 4.350 -0.000 0.000 0.290 309 T C -0.871 173.759 174.700 -0.116 0.000 1.000 309 T CA -0.519 61.528 62.100 -0.088 0.000 0.978 309 T CB 0.420 69.233 68.868 -0.092 0.000 0.997 309 T HN 0.282 nan 8.240 nan 0.000 0.443 310 I N 3.799 124.298 120.570 -0.118 0.000 2.315 310 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 310 I C 0.556 176.558 176.117 -0.192 0.000 1.006 310 I CA -0.510 60.701 61.300 -0.149 0.000 1.265 310 I CB 1.679 39.598 38.000 -0.134 0.000 1.387 310 I HN 0.481 nan 8.210 nan 0.000 0.475 311 S N 5.909 121.445 115.700 -0.273 0.000 2.415 311 S HA 0.651 5.121 4.470 -0.000 0.000 0.313 311 S C 0.013 174.542 174.600 -0.119 0.000 1.067 311 S CA -0.578 57.452 58.200 -0.283 0.000 1.099 311 S CB 0.200 62.943 63.200 -0.762 0.000 0.991 311 S HN 0.674 nan 8.310 nan 0.000 0.491 312 A N 3.956 126.739 122.820 -0.062 0.000 2.252 312 A HA 0.855 5.174 4.320 -0.000 0.000 0.305 312 A C 0.764 178.459 177.584 0.185 0.000 1.097 312 A CA -0.305 51.705 52.037 -0.045 0.000 0.849 312 A CB 0.274 19.037 19.000 -0.395 0.000 1.142 312 A HN 0.883 nan 8.150 nan 0.000 0.499 313 G N -0.692 108.228 108.800 0.200 0.000 2.535 313 G HA2 0.606 4.566 3.960 -0.000 0.000 0.303 313 G HA3 0.606 4.566 3.960 -0.000 0.000 0.303 313 G C -2.627 172.424 174.900 0.251 0.000 1.237 313 G CA -1.464 43.790 45.100 0.256 0.000 0.986 313 G HN 0.600 nan 8.290 nan 0.000 0.494 314 P HA 0.309 nan 4.420 nan 0.000 0.271 314 P C -1.013 176.337 177.300 0.083 0.000 1.218 314 P CA -0.151 62.996 63.100 0.078 0.000 0.780 314 P CB 1.585 33.288 31.700 0.006 0.000 0.901 315 L N 1.613 122.852 121.223 0.026 0.000 2.516 315 L HA 0.357 4.697 4.340 -0.000 0.000 0.267 315 L C 0.086 176.890 176.870 -0.110 0.000 0.957 315 L CA -0.588 54.194 54.840 -0.096 0.000 0.860 315 L CB 1.877 43.708 42.059 -0.379 0.000 1.265 315 L HN 0.185 nan 8.230 nan 0.000 0.403 316 K N 3.332 123.676 120.400 -0.093 0.000 2.146 316 K HA 0.161 4.481 4.320 -0.000 0.000 0.220 316 K C -0.049 176.495 176.600 -0.093 0.000 1.227 316 K CA 0.203 56.448 56.287 -0.070 0.000 1.185 316 K CB -0.246 32.218 32.500 -0.059 0.000 1.333 316 K HN 0.768 nan 8.250 nan 0.000 0.242 317 S N 0.755 116.393 115.700 -0.104 0.000 2.693 317 S HA 0.236 4.706 4.470 -0.000 0.000 0.276 317 S C 1.189 175.755 174.600 -0.057 0.000 1.192 317 S CA -0.925 57.211 58.200 -0.107 0.000 0.994 317 S CB 1.758 64.878 63.200 -0.132 0.000 1.012 317 S HN 0.517 nan 8.310 nan 0.000 0.550 318 R N 0.286 120.755 120.500 -0.053 0.000 2.096 318 R HA -0.154 4.186 4.340 -0.000 0.000 0.240 318 R C 2.416 178.706 176.300 -0.016 0.000 1.139 318 R CA 1.772 57.856 56.100 -0.027 0.000 0.952 318 R CB -1.232 29.056 30.300 -0.019 0.000 0.854 318 R HN 0.870 nan 8.270 nan 0.000 0.436 319 A N 0.300 123.104 122.820 -0.026 0.000 1.969 319 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 319 A C 2.263 179.839 177.584 -0.014 0.000 1.169 319 A CA 1.453 53.471 52.037 -0.031 0.000 0.635 319 A CB -0.410 18.559 19.000 -0.052 0.000 0.810 319 A HN 0.467 nan 8.150 nan 0.000 0.445 320 A N -0.874 121.949 122.820 0.006 0.000 1.933 320 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 320 A C 2.261 179.893 177.584 0.080 0.000 1.175 320 A CA 2.253 54.323 52.037 0.056 0.000 0.628 320 A CB -1.050 17.981 19.000 0.051 0.000 0.814 320 A HN 0.411 nan 8.150 nan 0.000 0.444 321 T N -0.034 114.545 114.554 0.042 0.000 2.896 321 T HA 0.122 4.472 4.350 -0.000 0.000 0.263 321 T C 2.120 176.843 174.700 0.040 0.000 1.050 321 T CA 1.094 63.223 62.100 0.047 0.000 1.140 321 T CB -0.293 68.590 68.868 0.024 0.000 0.877 321 T HN 0.559 nan 8.240 nan 0.000 0.457 322 A N 1.034 123.864 122.820 0.016 0.000 2.125 322 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 322 A C 2.153 179.727 177.584 -0.016 0.000 1.156 322 A CA 0.730 52.767 52.037 0.001 0.000 0.671 322 A CB -0.835 18.158 19.000 -0.012 0.000 0.794 322 A HN 0.530 nan 8.150 nan 0.000 0.459 323 I N -0.954 119.605 120.570 -0.018 0.000 2.163 323 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 323 I C 1.729 177.835 176.117 -0.017 0.000 1.085 323 I CA 1.529 62.788 61.300 -0.068 0.000 1.347 323 I CB -0.294 37.634 38.000 -0.119 0.000 1.044 323 I HN 0.628 nan 8.210 nan 0.000 0.408 324 N N 0.501 119.236 118.700 0.058 0.000 2.936 324 N HA -0.228 4.512 4.740 -0.000 0.000 0.236 324 N C 0.533 176.091 175.510 0.081 0.000 0.930 324 N CA 0.743 53.832 53.050 0.066 0.000 0.966 324 N CB -0.603 37.902 38.487 0.031 0.000 1.090 324 N HN 0.244 nan 8.380 nan 0.000 0.592 367 T N -0.478 114.262 114.554 0.311 0.000 2.932 367 T HA 0.068 4.418 4.350 -0.000 0.000 0.312 367 T C 0.527 175.375 174.700 0.248 0.000 1.071 367 T CA 0.107 62.342 62.100 0.225 0.000 1.128 367 T CB 0.718 69.680 68.868 0.156 0.000 0.984 367 T HN 0.704 nan 8.240 nan 0.000 0.549 368 F N 2.048 122.079 119.950 0.134 0.000 2.101 368 F HA -0.257 4.269 4.527 -0.000 0.000 0.298 368 F C 1.767 177.663 175.800 0.159 0.000 1.076 368 F CA 1.923 60.017 58.000 0.157 0.000 1.248 368 F CB -0.349 38.725 39.000 0.124 0.000 0.999 368 F HN 0.568 nan 8.300 nan 0.000 0.488 369 I N 0.259 120.913 120.570 0.141 0.000 2.716 369 I HA -0.127 4.043 4.170 -0.000 0.000 0.259 369 I C 1.662 177.711 176.117 -0.113 0.000 1.172 369 I CA 1.281 62.577 61.300 -0.006 0.000 1.478 369 I CB -0.687 37.397 38.000 0.140 0.000 1.104 369 I HN 0.046 nan 8.210 nan 0.000 0.439 370 D N -0.670 119.650 120.400 -0.135 0.000 2.149 370 D HA -0.216 4.424 4.640 -0.000 0.000 0.201 370 D C 1.862 177.923 176.300 -0.398 0.000 0.972 370 D CA 1.150 54.933 54.000 -0.362 0.000 0.835 370 D CB -0.313 40.096 40.800 -0.651 0.000 0.966 370 D HN 0.405 nan 8.370 nan 0.000 0.476 371 Y N 1.547 121.647 120.300 -0.332 0.000 2.145 371 Y HA -0.147 4.403 4.550 -0.000 0.000 0.286 371 Y C 2.183 178.019 175.900 -0.107 0.000 1.145 371 Y CA 1.623 59.654 58.100 -0.115 0.000 1.148 371 Y CB -0.502 37.960 38.460 0.003 0.000 0.981 371 Y HN -0.052 nan 8.280 nan 0.000 0.507 372 A N 0.207 122.856 122.820 -0.285 0.000 1.898 372 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 372 A C 2.310 179.801 177.584 -0.154 0.000 1.181 372 A CA 1.884 53.731 52.037 -0.317 0.000 0.620 372 A CB -1.095 17.683 19.000 -0.370 0.000 0.819 372 A HN 0.547 nan 8.150 nan 0.000 0.442 373 I N -0.797 119.691 120.570 -0.136 0.000 2.252 373 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 373 I C 2.601 178.669 176.117 -0.083 0.000 1.102 373 I CA 1.423 62.673 61.300 -0.083 0.000 1.385 373 I CB -0.329 37.617 38.000 -0.090 0.000 1.064 373 I HN 0.426 nan 8.210 nan 0.000 0.414 374 E N 0.431 120.558 120.200 -0.122 0.000 2.038 374 E HA -0.285 4.065 4.350 -0.000 0.000 0.195 374 E C 2.218 178.780 176.600 -0.064 0.000 1.000 374 E CA 1.799 58.147 56.400 -0.087 0.000 0.803 374 E CB -0.201 29.470 29.700 -0.049 0.000 0.750 374 E HN 0.469 nan 8.360 nan 0.000 0.448 375 Y N 1.017 121.184 120.300 -0.222 0.000 2.114 375 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 375 Y C 2.747 178.642 175.900 -0.009 0.000 1.143 375 Y CA 2.025 60.064 58.100 -0.101 0.000 1.135 375 Y CB -0.680 37.580 38.460 -0.335 0.000 0.980 375 Y HN -0.053 nan 8.280 nan 0.000 0.499 376 S N -0.133 115.685 115.700 0.197 0.000 2.387 376 S HA -0.246 4.224 4.470 -0.000 0.000 0.230 376 S C 1.790 176.389 174.600 -0.001 0.000 1.035 376 S CA 1.922 60.206 58.200 0.140 0.000 1.014 376 S CB -0.357 62.907 63.200 0.107 0.000 0.836 376 S HN 0.680 nan 8.310 nan 0.000 0.466 377 E N -0.135 120.027 120.200 -0.063 0.000 2.299 377 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 377 E C 1.996 178.474 176.600 -0.203 0.000 0.998 377 E CA 0.448 56.786 56.400 -0.103 0.000 0.851 377 E CB 0.044 29.693 29.700 -0.084 0.000 0.795 377 E HN 0.415 nan 8.360 nan 0.000 0.492 378 K N -0.251 119.937 120.400 -0.354 0.000 2.186 378 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 378 K C 0.883 177.007 176.600 -0.793 0.000 1.052 378 K CA 0.910 56.803 56.287 -0.657 0.000 0.965 378 K CB 0.306 32.209 32.500 -0.996 0.000 0.746 378 K HN 0.073 nan 8.250 nan 0.000 0.457 379 Y N -0.529 119.595 120.300 -0.294 0.000 2.589 379 Y HA 0.389 4.939 4.550 -0.000 0.000 0.271 379 Y C 0.564 176.371 175.900 -0.155 0.000 1.107 379 Y CA -0.381 57.532 58.100 -0.310 0.000 1.273 379 Y CB -0.030 38.036 38.460 -0.657 0.000 1.266 379 Y HN -0.079 nan 8.280 nan 0.000 0.504 380 A N 2.099 124.938 122.820 0.033 0.000 2.531 380 A HA 0.095 4.415 4.320 -0.000 0.000 0.236 380 A C -1.375 176.213 177.584 0.006 0.000 1.062 380 A CA -0.791 51.267 52.037 0.035 0.000 0.760 380 A CB -0.261 18.759 19.000 0.034 0.000 0.995 380 A HN 0.159 nan 8.150 nan 0.000 0.501 381 P HA -0.132 nan 4.420 nan 0.000 0.218 381 P C -0.018 177.275 177.300 -0.012 0.000 1.152 381 P CA 1.112 64.210 63.100 -0.004 0.000 0.857 381 P CB -0.016 31.681 31.700 -0.006 0.000 0.787 382 L N -0.953 120.264 121.223 -0.011 0.000 2.280 382 L HA 0.282 4.622 4.340 -0.000 0.000 0.287 382 L C 1.446 178.303 176.870 -0.022 0.000 1.023 382 L CA -0.341 54.491 54.840 -0.014 0.000 0.819 382 L CB 0.919 42.974 42.059 -0.006 0.000 1.212 382 L HN -0.307 nan 8.230 nan 0.000 0.420 383 R N 2.021 122.502 120.500 -0.031 0.000 2.193 383 R HA -0.084 4.256 4.340 -0.000 0.000 0.229 383 R C 0.899 177.178 176.300 -0.036 0.000 1.110 383 R CA 0.853 56.926 56.100 -0.044 0.000 0.988 383 R CB -0.124 30.148 30.300 -0.046 0.000 0.871 383 R HN 0.763 nan 8.270 nan 0.000 0.458 384 Q N 0.724 120.511 119.800 -0.021 0.000 2.492 384 Q HA 0.001 4.341 4.340 -0.000 0.000 0.238 384 Q C -0.772 175.223 176.000 -0.008 0.000 1.045 384 Q CA -0.113 55.682 55.803 -0.014 0.000 0.934 384 Q CB 0.464 29.199 28.738 -0.006 0.000 1.276 384 Q HN -0.016 nan 8.270 nan 0.000 0.521 385 K N 1.651 122.048 120.400 -0.006 0.000 2.349 385 K HA 0.162 4.482 4.320 -0.000 0.000 0.288 385 K C -0.477 176.132 176.600 0.016 0.000 1.058 385 K CA -0.519 55.768 56.287 -0.001 0.000 0.953 385 K CB 0.432 32.928 32.500 -0.006 0.000 0.997 385 K HN 0.516 nan 8.250 nan 0.000 0.477 386 L N 5.931 127.172 121.223 0.029 0.000 2.416 386 L HA 0.247 4.587 4.340 -0.000 0.000 0.272 386 L C -1.045 175.861 176.870 0.059 0.000 1.161 386 L CA 0.444 55.319 54.840 0.059 0.000 0.845 386 L CB 0.409 42.523 42.059 0.090 0.000 1.119 386 L HN 0.538 nan 8.230 nan 0.000 0.464 387 L N 3.757 125.028 121.223 0.079 0.000 2.362 387 L HA 0.405 4.745 4.340 -0.000 0.000 0.271 387 L C 1.320 178.270 176.870 0.133 0.000 1.002 387 L CA -0.373 54.508 54.840 0.069 0.000 0.818 387 L CB 1.944 44.034 42.059 0.052 0.000 1.298 387 L HN 0.783 nan 8.230 nan 0.000 0.420 388 S N -1.077 114.673 115.700 0.083 0.000 2.402 388 S HA -0.220 4.250 4.470 -0.000 0.000 0.233 388 S C 1.645 176.366 174.600 0.201 0.000 1.030 388 S CA 1.790 60.099 58.200 0.183 0.000 1.003 388 S CB -0.799 62.422 63.200 0.036 0.000 0.813 388 S HN 0.897 nan 8.310 nan 0.000 0.477 389 T N -0.149 114.473 114.554 0.114 0.000 2.867 389 T HA -0.080 4.269 4.350 -0.000 0.000 0.268 389 T C 1.329 176.073 174.700 0.073 0.000 1.057 389 T CA 1.205 63.350 62.100 0.075 0.000 1.136 389 T CB -0.647 68.248 68.868 0.046 0.000 0.874 389 T HN 0.282 nan 8.240 nan 0.000 0.466 390 D N 1.480 121.932 120.400 0.087 0.000 2.123 390 D HA -0.031 4.609 4.640 -0.000 0.000 0.196 390 D C 1.908 178.248 176.300 0.067 0.000 0.992 390 D CA 0.837 54.879 54.000 0.069 0.000 0.833 390 D CB -0.337 40.509 40.800 0.078 0.000 0.954 390 D HN 0.364 nan 8.370 nan 0.000 0.455 391 I N 0.762 121.394 120.570 0.104 0.000 2.353 391 I HA -0.052 4.118 4.170 -0.000 0.000 0.248 391 I C 2.508 178.648 176.117 0.039 0.000 1.119 391 I CA 0.944 62.269 61.300 0.041 0.000 1.417 391 I CB -0.576 37.407 38.000 -0.028 0.000 1.078 391 I HN -0.012 nan 8.210 nan 0.000 0.421 392 G N -0.045 108.801 108.800 0.077 0.000 2.440 392 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.218 392 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.218 392 G C 1.824 176.741 174.900 0.029 0.000 1.154 392 G CA 1.233 46.359 45.100 0.044 0.000 0.767 392 G HN 0.503 nan 8.290 nan 0.000 0.552 393 S N 0.088 115.808 115.700 0.034 0.000 2.399 393 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 393 S C 2.237 176.874 174.600 0.061 0.000 1.022 393 S CA 1.400 59.621 58.200 0.035 0.000 0.983 393 S CB -0.317 62.896 63.200 0.021 0.000 0.803 393 S HN 0.109 nan 8.310 nan 0.000 0.480 394 V N 2.064 122.011 119.914 0.056 0.000 2.488 394 V HA 0.042 4.162 4.120 -0.000 0.000 0.246 394 V C 3.080 179.246 176.094 0.119 0.000 1.046 394 V CA 1.377 63.731 62.300 0.089 0.000 1.053 394 V CB -1.274 30.576 31.823 0.046 0.000 0.679 394 V HN 0.658 nan 8.190 nan 0.000 0.458 395 A N -0.766 122.085 122.820 0.052 0.000 1.898 395 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 395 A C 2.531 180.128 177.584 0.021 0.000 1.181 395 A CA 1.949 53.996 52.037 0.017 0.000 0.620 395 A CB -0.748 18.244 19.000 -0.013 0.000 0.819 395 A HN 0.441 nan 8.150 nan 0.000 0.442 396 S N -1.340 114.383 115.700 0.038 0.000 2.370 396 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 396 S C 1.730 176.368 174.600 0.063 0.000 1.033 396 S CA 1.812 60.031 58.200 0.032 0.000 1.011 396 S CB -0.533 62.688 63.200 0.035 0.000 0.852 396 S HN 0.613 nan 8.310 nan 0.000 0.457 397 F N 2.101 122.035 119.950 -0.026 0.000 2.084 397 F HA 0.041 4.568 4.527 -0.000 0.000 0.296 397 F C 1.815 177.603 175.800 -0.021 0.000 1.111 397 F CA 1.464 59.451 58.000 -0.020 0.000 1.224 397 F CB -0.625 38.365 39.000 -0.017 0.000 0.991 397 F HN 0.164 nan 8.300 nan 0.000 0.471 398 L N 0.119 121.229 121.223 -0.188 0.000 2.187 398 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 398 L C 2.162 178.888 176.870 -0.240 0.000 1.100 398 L CA 1.017 55.692 54.840 -0.275 0.000 0.765 398 L CB -0.699 41.315 42.059 -0.074 0.000 0.904 398 L HN 0.268 nan 8.230 nan 0.000 0.437 399 L N -0.863 120.264 121.223 -0.159 0.000 2.591 399 L HA 0.047 4.387 4.340 -0.000 0.000 0.228 399 L C 1.188 177.982 176.870 -0.127 0.000 1.133 399 L CA -0.219 54.550 54.840 -0.119 0.000 0.880 399 L CB -0.182 41.831 42.059 -0.077 0.000 1.033 399 L HN 0.281 nan 8.230 nan 0.000 0.450 400 S N -1.877 113.711 115.700 -0.186 0.000 2.704 400 S HA 0.375 4.845 4.470 -0.000 0.000 0.305 400 S C 1.089 175.585 174.600 -0.173 0.000 1.107 400 S CA -0.922 57.191 58.200 -0.145 0.000 0.993 400 S CB 1.592 64.734 63.200 -0.096 0.000 1.110 400 S HN -0.016 nan 8.310 nan 0.000 0.534 401 R N 0.787 121.225 120.500 -0.104 0.000 2.249 401 R HA -0.016 4.324 4.340 -0.000 0.000 0.230 401 R C 0.937 177.177 176.300 -0.100 0.000 1.121 401 R CA 0.786 56.836 56.100 -0.085 0.000 0.997 401 R CB -0.762 29.513 30.300 -0.042 0.000 0.867 401 R HN 0.688 nan 8.270 nan 0.000 0.465 402 E N 0.326 120.453 120.200 -0.121 0.000 2.515 402 E HA -0.053 4.297 4.350 -0.000 0.000 0.201 402 E C 0.884 177.371 176.600 -0.188 0.000 1.071 402 E CA 0.705 57.074 56.400 -0.052 0.000 0.880 402 E CB 0.104 29.881 29.700 0.129 0.000 0.828 402 E HN 0.339 nan 8.360 nan 0.000 0.540 403 S N -1.124 114.348 115.700 -0.379 0.000 3.009 403 S HA 0.099 4.569 4.470 -0.000 0.000 0.254 403 S C 1.320 175.808 174.600 -0.187 0.000 1.004 403 S CA -0.599 57.363 58.200 -0.396 0.000 1.119 403 S CB 0.050 62.733 63.200 -0.861 0.000 1.075 403 S HN 0.220 nan 8.310 nan 0.000 0.618 404 R N 1.117 121.542 120.500 -0.125 0.000 2.294 404 R HA -0.050 4.290 4.340 -0.000 0.000 0.250 404 R C 1.538 177.812 176.300 -0.043 0.000 1.181 404 R CA 1.623 57.679 56.100 -0.072 0.000 1.016 404 R CB -0.787 29.485 30.300 -0.046 0.000 0.869 404 R HN 0.446 nan 8.270 nan 0.000 0.476 405 A N 0.915 123.717 122.820 -0.030 0.000 2.308 405 A HA 0.315 4.635 4.320 -0.000 0.000 0.217 405 A C 0.578 178.162 177.584 -0.001 0.000 1.216 405 A CA -0.277 51.757 52.037 -0.005 0.000 0.864 405 A CB 0.284 19.292 19.000 0.013 0.000 0.902 405 A HN 0.218 nan 8.150 nan 0.000 0.499 406 I N -0.025 120.533 120.570 -0.020 0.000 2.362 406 I HA 0.466 4.636 4.170 -0.000 0.000 0.289 406 I C -0.135 175.968 176.117 -0.024 0.000 0.994 406 I CA -0.212 61.082 61.300 -0.010 0.000 1.158 406 I CB 2.073 40.074 38.000 0.001 0.000 1.315 406 I HN 0.008 nan 8.210 nan 0.000 0.451 407 T N 3.310 117.860 114.554 -0.008 0.000 2.885 407 T HA 0.554 4.903 4.350 -0.000 0.000 0.322 407 T C 0.334 175.034 174.700 0.000 0.000 1.387 407 T CA 0.276 62.370 62.100 -0.010 0.000 1.041 407 T CB 1.518 70.382 68.868 -0.007 0.000 1.287 407 T HN 1.000 nan 8.240 nan 0.000 0.491 408 G N 2.479 111.276 108.800 -0.005 0.000 2.143 408 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.249 408 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.249 408 G C -0.146 174.750 174.900 -0.006 0.000 0.981 408 G CA 0.159 45.257 45.100 -0.003 0.000 0.665 408 G HN 0.730 nan 8.290 nan 0.000 0.528 409 Q N 0.448 120.242 119.800 -0.010 0.000 2.245 409 Q HA 0.558 4.898 4.340 -0.000 0.000 0.256 409 Q C -0.023 175.958 176.000 -0.033 0.000 0.942 409 Q CA -0.130 55.669 55.803 -0.007 0.000 0.896 409 Q CB 1.491 30.235 28.738 0.010 0.000 1.272 409 Q HN 0.186 nan 8.270 nan 0.000 0.442 410 T N 3.300 117.829 114.554 -0.041 0.000 2.727 410 T HA 0.383 4.733 4.350 -0.000 0.000 0.298 410 T C 0.227 174.861 174.700 -0.109 0.000 0.942 410 T CA -0.382 61.645 62.100 -0.121 0.000 0.997 410 T CB 0.179 68.955 68.868 -0.154 0.000 0.917 410 T HN 0.235 nan 8.240 nan 0.000 0.487 411 I N 4.119 124.612 120.570 -0.128 0.000 2.321 411 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 411 I C -0.206 175.825 176.117 -0.143 0.000 0.998 411 I CA -1.080 60.187 61.300 -0.054 0.000 1.227 411 I CB 0.662 38.661 38.000 -0.002 0.000 1.368 411 I HN 0.599 nan 8.210 nan 0.000 0.466 412 Y N 5.151 125.439 120.300 -0.019 0.000 2.359 412 Y HA 0.300 4.850 4.550 -0.000 0.000 0.334 412 Y C 0.526 176.408 175.900 -0.031 0.000 1.058 412 Y CA -0.162 57.916 58.100 -0.036 0.000 1.244 412 Y CB 1.164 39.582 38.460 -0.070 0.000 1.187 412 Y HN 0.222 nan 8.280 nan 0.000 0.510 413 V N 4.268 124.233 119.914 0.086 0.000 2.383 413 V HA 0.205 4.325 4.120 -0.000 0.000 0.264 413 V C -0.710 175.427 176.094 0.073 0.000 1.001 413 V CA -0.621 61.709 62.300 0.051 0.000 0.828 413 V CB 0.678 32.498 31.823 -0.004 0.000 1.069 413 V HN 0.897 nan 8.190 nan 0.000 0.451 414 D N 1.427 121.881 120.400 0.091 0.000 2.740 414 D HA 0.066 4.705 4.640 -0.000 0.000 0.305 414 D C 0.474 176.815 176.300 0.070 0.000 1.583 414 D CA -0.476 53.585 54.000 0.102 0.000 0.790 414 D CB -0.256 40.623 40.800 0.131 0.000 1.187 414 D HN 0.224 nan 8.370 nan 0.000 0.447 415 N N 0.918 119.648 118.700 0.051 0.000 2.681 415 N HA -0.186 4.554 4.740 -0.000 0.000 0.250 415 N C 1.235 176.755 175.510 0.015 0.000 1.133 415 N CA 1.771 54.838 53.050 0.029 0.000 0.732 415 N CB -1.381 37.123 38.487 0.029 0.000 1.107 415 N HN 0.831 nan 8.380 nan 0.000 0.559 416 G N -0.666 108.138 108.800 0.007 0.000 2.157 416 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.248 416 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.248 416 G C 0.882 175.756 174.900 -0.042 0.000 0.979 416 G CA 0.410 45.495 45.100 -0.026 0.000 0.650 416 G HN 0.425 nan 8.290 nan 0.000 0.529 417 L N 0.893 122.108 121.223 -0.013 0.000 2.051 417 L HA -0.237 4.103 4.340 -0.000 0.000 0.214 417 L C 2.870 179.687 176.870 -0.088 0.000 1.076 417 L CA 3.029 57.874 54.840 0.009 0.000 0.758 417 L CB -0.501 41.603 42.059 0.076 0.000 0.890 417 L HN 0.744 nan 8.230 nan 0.000 0.433 418 N N 0.573 119.114 118.700 -0.265 0.000 2.430 418 N HA -0.244 4.496 4.740 -0.000 0.000 0.186 418 N C 1.673 176.963 175.510 -0.367 0.000 1.032 418 N CA 1.609 54.314 53.050 -0.575 0.000 0.893 418 N CB -0.630 37.163 38.487 -1.156 0.000 0.957 418 N HN 0.668 nan 8.380 nan 0.000 0.442 419 I N -3.723 116.716 120.570 -0.217 0.000 3.226 419 I HA 0.166 4.336 4.170 -0.000 0.000 0.277 419 I C 0.131 176.225 176.117 -0.039 0.000 1.243 419 I CA -0.130 61.092 61.300 -0.131 0.000 1.459 419 I CB -0.076 37.863 38.000 -0.102 0.000 1.093 419 I HN -0.025 nan 8.210 nan 0.000 0.453 420 M N 0.786 120.386 119.600 -0.000 0.000 2.233 420 M HA 0.146 4.625 4.480 -0.000 0.000 0.350 420 M C 0.343 176.743 176.300 0.168 0.000 1.176 420 M CA -0.066 55.278 55.300 0.073 0.000 1.150 420 M CB 0.628 33.273 32.600 0.075 0.000 1.530 420 M HN 0.169 nan 8.290 nan 0.000 0.459 421 F N 2.748 122.690 119.950 -0.014 0.000 2.350 421 F HA 0.378 4.905 4.527 -0.000 0.000 0.253 421 F C 0.217 176.012 175.800 -0.009 0.000 1.088 421 F CA 0.266 58.260 58.000 -0.009 0.000 1.037 421 F CB -0.234 38.759 39.000 -0.013 0.000 1.107 421 F HN 0.375 nan 8.300 nan 0.000 0.603 422 L N 2.052 123.153 121.223 -0.205 0.000 2.379 422 L HA 0.357 4.697 4.340 -0.000 0.000 0.269 422 L C -2.033 174.725 176.870 -0.187 0.000 1.084 422 L CA -2.070 52.575 54.840 -0.325 0.000 0.802 422 L CB 0.272 42.108 42.059 -0.372 0.000 1.175 422 L HN 0.138 nan 8.230 nan 0.000 0.448 423 P HA 0.058 nan 4.420 nan 0.000 0.271 423 P C -0.673 176.547 177.300 -0.133 0.000 1.233 423 P CA -0.270 62.585 63.100 -0.409 0.000 0.789 423 P CB 0.921 32.116 31.700 -0.842 0.000 0.951 424 D N -0.401 120.011 120.400 0.020 0.000 2.262 424 D HA -0.029 4.611 4.640 -0.000 0.000 0.212 424 D C 0.547 176.882 176.300 0.058 0.000 0.964 424 D CA 0.676 54.703 54.000 0.044 0.000 0.875 424 D CB -0.110 40.729 40.800 0.065 0.000 0.996 424 D HN 0.456 nan 8.370 nan 0.000 0.497 425 D N 0.000 120.485 120.400 0.141 0.000 6.856 425 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 425 D CA 0.000 54.073 54.000 0.121 0.000 0.868 425 D CB 0.000 40.894 40.800 0.157 0.000 0.688 425 D HN 0.000 nan 8.370 nan 0.000 0.683