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 2yr0_1_A DATA FIRST_RESID 17 DATA SEQUENCE AHPPEVAGQI ATAXASAVHP KGEEPVFLEL GVGTGRIALP LIARGYRYIA DATA SEQUENCE LDADAAXLEV FRQKIAGVDR KVQVVQADAR AIPLPDESVH GVIVVHLWHL DATA SEQUENCE VPDWPKVLAE AIRVLKPGGA LLEGWDQAEA SPEWTLQERW RAFAAEEGFP DATA SEQUENCE VERGLHAKRL KEVEEALRRL GLKPRTREVA RWREERTPRE ALEALSERLY DATA SEQUENCE SFTQGLPEPV HARVXERLWA WAEAELGDLD RPFPVEKRFL LRVSRL 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.594 177.584 0.016 0.000 1.274 17 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 17 A CB 0.000 18.992 19.000 -0.012 0.000 0.831 18 H N 2.085 121.100 119.070 -0.091 0.000 2.525 18 H HA 0.406 5.094 4.556 0.220 0.000 0.339 18 H C -2.141 173.026 175.328 -0.268 0.000 1.109 18 H CA -1.578 54.328 56.048 -0.237 0.000 1.352 18 H CB 0.906 30.439 29.762 -0.383 0.000 1.461 18 H HN 0.418 nan 8.280 nan 0.000 0.533 19 P HA -0.052 nan 4.420 nan 0.000 0.269 19 P C -1.953 175.219 177.300 -0.213 0.000 1.209 19 P CA -1.043 61.934 63.100 -0.205 0.000 0.776 19 P CB 0.464 32.002 31.700 -0.269 0.000 0.876 20 P HA -0.277 nan 4.420 nan 0.000 0.219 20 P C 1.386 178.596 177.300 -0.150 0.000 1.161 20 P CA 1.615 64.641 63.100 -0.124 0.000 0.909 20 P CB 0.013 31.661 31.700 -0.087 0.000 0.793 21 E N -0.677 119.430 120.200 -0.154 0.000 2.110 21 E HA -0.156 4.328 4.350 0.222 0.000 0.193 21 E C 1.735 178.205 176.600 -0.216 0.000 0.988 21 E CA 1.153 57.462 56.400 -0.150 0.000 0.804 21 E CB -0.324 29.306 29.700 -0.116 0.000 0.745 21 E HN -0.033 nan 8.360 nan 0.000 0.458 22 V N 0.980 120.684 119.914 -0.349 0.000 2.379 22 V HA -0.201 4.052 4.120 0.222 0.000 0.245 22 V C 2.430 178.261 176.094 -0.438 0.000 1.044 22 V CA 1.638 63.627 62.300 -0.518 0.000 1.036 22 V CB -0.693 30.498 31.823 -1.053 0.000 0.664 22 V HN 0.440 nan 8.190 nan 0.000 0.453 23 A N 0.655 123.276 122.820 -0.330 0.000 1.933 23 A HA -0.092 4.361 4.320 0.222 0.000 0.218 23 A C 2.386 179.853 177.584 -0.195 0.000 1.175 23 A CA 1.969 53.869 52.037 -0.227 0.000 0.628 23 A CB -1.119 17.790 19.000 -0.152 0.000 0.814 23 A HN 0.526 nan 8.150 nan 0.000 0.444 24 G N -0.931 107.769 108.800 -0.167 0.000 2.404 24 G HA2 -0.189 3.904 3.960 0.222 0.000 0.215 24 G HA3 -0.189 3.904 3.960 0.222 0.000 0.215 24 G C 1.589 176.422 174.900 -0.112 0.000 1.174 24 G CA 0.899 45.928 45.100 -0.117 0.000 0.780 24 G HN 0.628 nan 8.290 nan 0.000 0.537 25 Q N -0.175 119.542 119.800 -0.139 0.000 2.084 25 Q HA -0.022 4.452 4.340 0.222 0.000 0.202 25 Q C 2.581 178.514 176.000 -0.112 0.000 0.978 25 Q CA 1.054 56.792 55.803 -0.109 0.000 0.844 25 Q CB -0.207 28.461 28.738 -0.117 0.000 0.898 25 Q HN 0.527 nan 8.270 nan 0.000 0.426 26 I N 0.500 120.953 120.570 -0.194 0.000 2.252 26 I HA -0.249 4.054 4.170 0.222 0.000 0.245 26 I C 2.452 178.493 176.117 -0.126 0.000 1.102 26 I CA 0.843 62.020 61.300 -0.206 0.000 1.385 26 I CB -0.445 37.274 38.000 -0.469 0.000 1.064 26 I HN 0.159 nan 8.210 nan 0.000 0.414 27 A N 0.518 123.258 122.820 -0.133 0.000 1.883 27 A HA -0.223 4.231 4.320 0.222 0.000 0.217 27 A C 2.395 179.951 177.584 -0.047 0.000 1.186 27 A CA 2.564 54.538 52.037 -0.105 0.000 0.624 27 A CB -1.179 17.768 19.000 -0.088 0.000 0.822 27 A HN 0.368 nan 8.150 nan 0.000 0.444 28 T N 0.442 114.984 114.554 -0.020 0.000 2.720 28 T HA 0.107 4.590 4.350 0.222 0.000 0.268 28 T C 1.329 176.049 174.700 0.034 0.000 1.037 28 T CA 1.030 63.144 62.100 0.023 0.000 1.144 28 T CB -0.608 68.268 68.868 0.014 0.000 0.864 28 T HN 0.698 nan 8.240 nan 0.000 0.444 32 S N 0.510 116.287 115.700 0.128 0.000 2.453 32 S HA 0.141 4.744 4.470 0.222 0.000 0.231 32 S C 1.907 176.620 174.600 0.187 0.000 1.005 32 S CA 1.258 59.544 58.200 0.143 0.000 0.949 32 S CB -0.084 63.181 63.200 0.108 0.000 0.774 32 S HN 1.059 nan 8.310 nan 0.000 0.510 33 A N 1.056 123.953 122.820 0.128 0.000 2.169 33 A HA 0.234 4.687 4.320 0.222 0.000 0.212 33 A C 0.944 178.442 177.584 -0.143 0.000 1.153 33 A CA 0.109 52.173 52.037 0.045 0.000 0.756 33 A CB -0.281 18.741 19.000 0.037 0.000 0.813 33 A HN 0.367 nan 8.150 nan 0.000 0.471 34 V N -1.729 118.177 119.914 -0.014 0.000 2.394 34 V HA 0.508 4.761 4.120 0.222 0.000 0.282 34 V C -0.693 175.473 176.094 0.120 0.000 1.031 34 V CA -0.729 61.508 62.300 -0.106 0.000 0.881 34 V CB 0.276 31.967 31.823 -0.220 0.000 0.982 34 V HN 0.420 nan 8.190 nan 0.000 0.451 35 H N 6.321 125.363 119.070 -0.047 0.000 2.736 35 H HA 0.399 5.088 4.556 0.222 0.000 0.271 35 H C -1.984 173.299 175.328 -0.076 0.000 1.184 35 H CA -1.860 54.161 56.048 -0.044 0.000 1.378 35 H CB 1.702 31.459 29.762 -0.008 0.000 1.428 35 H HN 0.587 nan 8.280 nan 0.000 0.500 36 P HA -0.072 nan 4.420 nan 0.000 0.242 36 P C -0.368 176.864 177.300 -0.114 0.000 1.197 36 P CA 0.138 63.037 63.100 -0.336 0.000 0.765 36 P CB 0.153 31.474 31.700 -0.631 0.000 0.936 37 K N 0.107 120.499 120.400 -0.013 0.000 3.451 37 K HA -0.166 4.287 4.320 0.222 0.000 0.273 37 K C 1.034 177.633 176.600 -0.003 0.000 0.944 37 K CA 0.270 56.564 56.287 0.011 0.000 0.734 37 K CB -2.271 30.255 32.500 0.044 0.000 1.437 37 K HN 0.425 nan 8.250 nan 0.000 0.454 38 G N -0.445 108.343 108.800 -0.020 0.000 2.267 38 G HA2 -0.343 3.751 3.960 0.222 0.000 0.257 38 G HA3 -0.343 3.751 3.960 0.222 0.000 0.257 38 G C 0.009 174.898 174.900 -0.019 0.000 0.998 38 G CA 0.706 45.798 45.100 -0.014 0.000 0.620 38 G HN 0.537 nan 8.290 nan 0.000 0.529 39 E N 0.695 120.871 120.200 -0.040 0.000 2.283 39 E HA 0.490 4.973 4.350 0.222 0.000 0.267 39 E C 0.095 176.640 176.600 -0.091 0.000 1.045 39 E CA -0.631 55.751 56.400 -0.031 0.000 0.884 39 E CB 1.212 30.932 29.700 0.033 0.000 1.106 39 E HN 0.404 nan 8.360 nan 0.000 0.408 40 E N 2.998 123.182 120.200 -0.027 0.000 2.324 40 E HA 0.076 4.559 4.350 0.222 0.000 0.271 40 E C -2.031 174.529 176.600 -0.067 0.000 1.028 40 E CA -1.928 54.465 56.400 -0.012 0.000 0.890 40 E CB 0.496 30.224 29.700 0.046 0.000 1.004 40 E HN 0.148 nan 8.360 nan 0.000 0.431 41 P HA -0.011 nan 4.420 nan 0.000 0.271 41 P C -1.001 176.329 177.300 0.049 0.000 1.218 41 P CA -0.222 62.741 63.100 -0.228 0.000 0.780 41 P CB 1.302 32.847 31.700 -0.258 0.000 0.901 42 V N 4.384 124.384 119.914 0.143 0.000 2.638 42 V HA 0.520 4.773 4.120 0.222 0.000 0.306 42 V C -1.262 174.760 176.094 -0.121 0.000 1.052 42 V CA -0.807 61.548 62.300 0.091 0.000 0.885 42 V CB 0.926 32.822 31.823 0.121 0.000 0.999 42 V HN 0.290 nan 8.190 nan 0.000 0.424 43 F N 6.290 126.224 119.950 -0.027 0.000 2.425 43 F HA 0.744 5.404 4.527 0.223 0.000 0.331 43 F C -0.165 175.401 175.800 -0.391 0.000 1.085 43 F CA -0.770 57.106 58.000 -0.207 0.000 1.028 43 F CB 1.920 40.745 39.000 -0.293 0.000 1.177 43 F HN 0.476 nan 8.300 nan 0.000 0.487 44 L N 2.316 123.448 121.223 -0.152 0.000 2.356 44 L HA 0.502 4.975 4.340 0.222 0.000 0.277 44 L C -0.906 175.822 176.870 -0.237 0.000 0.996 44 L CA -0.420 54.290 54.840 -0.217 0.000 0.822 44 L CB 1.727 43.723 42.059 -0.106 0.000 1.256 44 L HN 0.703 nan 8.230 nan 0.000 0.413 45 E N 5.011 125.033 120.200 -0.296 0.000 2.158 45 E HA 0.460 4.943 4.350 0.222 0.000 0.271 45 E C -1.557 174.981 176.600 -0.104 0.000 0.911 45 E CA -0.652 55.657 56.400 -0.151 0.000 0.767 45 E CB 1.214 30.890 29.700 -0.040 0.000 1.120 45 E HN 0.772 nan 8.360 nan 0.000 0.405 46 L N 4.504 125.673 121.223 -0.091 0.000 2.260 46 L HA 0.450 4.923 4.340 0.222 0.000 0.289 46 L C 0.734 177.541 176.870 -0.104 0.000 1.057 46 L CA -0.067 54.716 54.840 -0.094 0.000 0.811 46 L CB 1.118 43.115 42.059 -0.104 0.000 1.184 46 L HN 0.994 nan 8.230 nan 0.000 0.429 47 G N 2.511 111.255 108.800 -0.095 0.000 2.341 47 G HA2 -0.220 3.873 3.960 0.222 0.000 0.278 47 G HA3 -0.220 3.873 3.960 0.222 0.000 0.278 47 G C 0.518 175.359 174.900 -0.099 0.000 1.111 47 G CA 0.165 45.210 45.100 -0.092 0.000 0.982 47 G HN 0.553 nan 8.290 nan 0.000 0.502 48 V N 0.228 120.059 119.914 -0.139 0.000 2.594 48 V HA 0.261 4.514 4.120 0.222 0.000 0.253 48 V C 2.539 178.522 176.094 -0.186 0.000 1.069 48 V CA 3.335 65.519 62.300 -0.193 0.000 1.082 48 V CB -0.685 30.896 31.823 -0.404 0.000 0.680 48 V HN 2.540 nan 8.190 nan 0.000 0.469 49 G N 0.275 108.988 108.800 -0.145 0.000 2.591 49 G HA2 -0.472 3.621 3.960 0.222 0.000 0.298 49 G HA3 -0.472 3.621 3.960 0.222 0.000 0.298 49 G C 0.919 175.776 174.900 -0.072 0.000 1.195 49 G CA 1.362 46.410 45.100 -0.087 0.000 0.989 49 G HN 1.263 nan 8.290 nan 0.000 0.551 50 T N -1.386 113.159 114.554 -0.015 0.000 3.107 50 T HA 0.472 4.955 4.350 0.222 0.000 0.249 50 T C 2.145 176.955 174.700 0.182 0.000 1.096 50 T CA 1.439 63.585 62.100 0.078 0.000 1.012 50 T CB 0.276 69.172 68.868 0.046 0.000 0.977 50 T HN 2.757 nan 8.240 nan 0.000 0.527 51 G N 1.961 110.800 108.800 0.065 0.000 2.130 51 G HA2 -0.294 3.799 3.960 0.222 0.000 0.216 51 G HA3 -0.294 3.799 3.960 0.222 0.000 0.216 51 G C 0.727 175.647 174.900 0.033 0.000 0.999 51 G CA 0.331 45.513 45.100 0.136 0.000 0.686 51 G HN 0.589 nan 8.290 nan 0.000 0.515 52 R N -0.291 120.186 120.500 -0.038 0.000 2.091 52 R HA -0.074 4.399 4.340 0.222 0.000 0.238 52 R C 2.349 178.574 176.300 -0.126 0.000 1.136 52 R CA 1.984 58.021 56.100 -0.105 0.000 0.959 52 R CB -0.219 29.980 30.300 -0.169 0.000 0.856 52 R HN 0.451 nan 8.270 nan 0.000 0.437 53 I N 0.474 120.983 120.570 -0.103 0.000 2.480 53 I HA -0.058 4.245 4.170 0.222 0.000 0.251 53 I C 2.516 178.561 176.117 -0.120 0.000 1.124 53 I CA 1.115 62.358 61.300 -0.095 0.000 1.444 53 I CB -1.488 36.497 38.000 -0.025 0.000 1.098 53 I HN 0.232 nan 8.210 nan 0.000 0.428 54 A N 1.393 124.136 122.820 -0.129 0.000 1.877 54 A HA -0.150 4.303 4.320 0.222 0.000 0.216 54 A C 2.269 179.625 177.584 -0.380 0.000 1.186 54 A CA 1.089 52.887 52.037 -0.399 0.000 0.620 54 A CB -0.803 18.002 19.000 -0.326 0.000 0.822 54 A HN 0.249 nan 8.150 nan 0.000 0.443 55 L N -0.133 120.992 121.223 -0.164 0.000 2.010 55 L HA -0.178 4.296 4.340 0.222 0.000 0.219 55 L C -0.216 176.563 176.870 -0.151 0.000 1.077 55 L CA 2.741 57.495 54.840 -0.145 0.000 0.773 55 L CB -2.410 39.591 42.059 -0.097 0.000 0.892 55 L HN 0.210 nan 8.230 nan 0.000 0.436 56 P HA -0.151 nan 4.420 nan 0.000 0.218 56 P C 2.161 179.411 177.300 -0.083 0.000 1.148 56 P CA 1.213 64.247 63.100 -0.110 0.000 0.822 56 P CB 0.106 31.735 31.700 -0.118 0.000 0.784 57 L N -1.857 119.284 121.223 -0.138 0.000 2.127 57 L HA -0.040 4.433 4.340 0.222 0.000 0.203 57 L C 2.336 179.236 176.870 0.050 0.000 1.080 57 L CA 0.913 55.725 54.840 -0.047 0.000 0.768 57 L CB -0.549 41.336 42.059 -0.290 0.000 0.924 57 L HN -0.097 nan 8.230 nan 0.000 0.444 58 I N 0.085 120.573 120.570 -0.137 0.000 2.226 58 I HA -0.281 4.022 4.170 0.222 0.000 0.245 58 I C 2.738 178.828 176.117 -0.044 0.000 1.100 58 I CA 1.183 62.433 61.300 -0.083 0.000 1.374 58 I CB -0.410 37.483 38.000 -0.179 0.000 1.057 58 I HN 0.193 nan 8.210 nan 0.000 0.413 59 A N 0.666 123.445 122.820 -0.068 0.000 2.024 59 A HA -0.173 4.281 4.320 0.222 0.000 0.220 59 A C 2.189 179.743 177.584 -0.051 0.000 1.164 59 A CA 1.363 53.363 52.037 -0.061 0.000 0.643 59 A CB -0.531 18.428 19.000 -0.067 0.000 0.806 59 A HN 0.379 nan 8.150 nan 0.000 0.451 60 R N -1.435 119.046 120.500 -0.031 0.000 2.335 60 R HA 0.237 4.711 4.340 0.222 0.000 0.223 60 R C 1.153 177.321 176.300 -0.219 0.000 0.940 60 R CA 0.490 56.539 56.100 -0.085 0.000 1.086 60 R CB -0.075 30.218 30.300 -0.011 0.000 1.073 60 R HN 0.659 nan 8.270 nan 0.000 0.504 61 G N 0.055 108.775 108.800 -0.133 0.000 2.157 61 G HA2 -0.299 3.795 3.960 0.222 0.000 0.248 61 G HA3 -0.299 3.795 3.960 0.222 0.000 0.248 61 G C -0.285 174.551 174.900 -0.107 0.000 0.979 61 G CA -0.343 44.673 45.100 -0.139 0.000 0.650 61 G HN 0.253 nan 8.290 nan 0.000 0.529 62 Y N 1.194 121.571 120.300 0.129 0.000 2.359 62 Y HA 0.495 5.178 4.550 0.222 0.000 0.330 62 Y C 1.560 177.633 175.900 0.288 0.000 1.143 62 Y CA -0.483 57.768 58.100 0.252 0.000 1.318 62 Y CB 0.533 39.225 38.460 0.386 0.000 1.234 62 Y HN 0.154 nan 8.280 nan 0.000 0.522 63 R N 2.587 123.366 120.500 0.465 0.000 2.489 63 R HA 0.137 4.610 4.340 0.222 0.000 0.287 63 R C -1.364 175.229 176.300 0.488 0.000 1.053 63 R CA 0.196 56.510 56.100 0.357 0.000 1.036 63 R CB 0.167 30.619 30.300 0.253 0.000 0.966 63 R HN 0.625 nan 8.270 nan 0.000 0.432 64 Y N 2.548 122.994 120.300 0.244 0.000 2.492 64 Y HA 0.430 5.113 4.550 0.221 0.000 0.346 64 Y C -0.734 175.272 175.900 0.176 0.000 0.997 64 Y CA -0.897 57.345 58.100 0.238 0.000 1.025 64 Y CB 1.493 40.080 38.460 0.212 0.000 1.263 64 Y HN 0.414 nan 8.280 nan 0.000 0.454 65 I N 4.993 125.573 120.570 0.016 0.000 2.411 65 I HA 0.545 4.848 4.170 0.222 0.000 0.284 65 I C -0.654 175.452 176.117 -0.019 0.000 1.012 65 I CA -0.843 60.482 61.300 0.042 0.000 1.119 65 I CB 1.490 39.482 38.000 -0.013 0.000 1.261 65 I HN 0.704 nan 8.210 nan 0.000 0.448 66 A N 7.929 130.823 122.820 0.122 0.000 2.253 66 A HA 0.679 5.132 4.320 0.222 0.000 0.316 66 A C -0.833 176.709 177.584 -0.070 0.000 1.327 66 A CA -0.375 51.662 52.037 -0.001 0.000 0.917 66 A CB 0.710 19.608 19.000 -0.170 0.000 1.162 66 A HN 0.765 nan 8.150 nan 0.000 0.535 67 L N 2.826 123.992 121.223 -0.094 0.000 2.329 67 L HA 0.712 5.185 4.340 0.222 0.000 0.279 67 L C -1.213 175.604 176.870 -0.088 0.000 1.014 67 L CA -0.400 54.398 54.840 -0.070 0.000 0.814 67 L CB 1.498 43.527 42.059 -0.050 0.000 1.257 67 L HN 0.720 nan 8.230 nan 0.000 0.424 68 D N 2.623 122.984 120.400 -0.065 0.000 2.803 68 D HA 0.298 5.071 4.640 0.222 0.000 0.218 68 D C -0.189 176.092 176.300 -0.032 0.000 1.245 68 D CA -0.117 53.846 54.000 -0.061 0.000 0.821 68 D CB 2.587 43.337 40.800 -0.084 0.000 1.626 68 D HN 0.640 nan 8.370 nan 0.000 0.487 69 A N 2.269 125.074 122.820 -0.026 0.000 2.169 69 A HA 0.026 4.479 4.320 0.222 0.000 0.212 69 A C 0.747 178.326 177.584 -0.009 0.000 1.153 69 A CA 0.491 52.520 52.037 -0.013 0.000 0.756 69 A CB 0.135 19.129 19.000 -0.009 0.000 0.813 69 A HN 0.407 nan 8.150 nan 0.000 0.471 70 D N 0.284 120.676 120.400 -0.014 0.000 2.380 70 D HA 0.500 5.273 4.640 0.222 0.000 0.230 70 D C 1.160 177.461 176.300 0.001 0.000 1.154 70 D CA 0.466 54.461 54.000 -0.008 0.000 0.859 70 D CB 1.389 42.181 40.800 -0.013 0.000 1.045 70 D HN 0.103 nan 8.370 nan 0.000 0.495 71 A N 4.057 126.881 122.820 0.008 0.000 1.972 71 A HA 0.098 4.551 4.320 0.222 0.000 0.219 71 A C 1.398 178.995 177.584 0.022 0.000 1.169 71 A CA 1.334 53.381 52.037 0.017 0.000 0.635 71 A CB -0.395 18.615 19.000 0.016 0.000 0.810 71 A HN 0.648 nan 8.150 nan 0.000 0.446 75 E N 1.478 121.734 120.200 0.092 0.000 2.038 75 E HA -0.186 4.297 4.350 0.222 0.000 0.195 75 E C 1.823 178.459 176.600 0.059 0.000 1.000 75 E CA 2.288 58.725 56.400 0.062 0.000 0.803 75 E CB 0.182 29.904 29.700 0.037 0.000 0.750 75 E HN 0.264 nan 8.360 nan 0.000 0.448 76 V N 0.726 120.682 119.914 0.070 0.000 2.358 76 V HA -0.205 4.048 4.120 0.222 0.000 0.246 76 V C 2.142 178.286 176.094 0.084 0.000 1.047 76 V CA 1.834 64.169 62.300 0.058 0.000 1.035 76 V CB -0.700 31.155 31.823 0.054 0.000 0.658 76 V HN 0.365 nan 8.190 nan 0.000 0.452 77 F N 1.525 121.464 119.950 -0.018 0.000 2.095 77 F HA -0.179 4.481 4.527 0.222 0.000 0.298 77 F C 2.577 178.366 175.800 -0.019 0.000 1.104 77 F CA 1.714 59.701 58.000 -0.021 0.000 1.232 77 F CB -0.373 38.622 39.000 -0.009 0.000 0.987 77 F HN -0.021 nan 8.300 nan 0.000 0.475 78 R N -0.161 120.300 120.500 -0.065 0.000 2.127 78 R HA -0.176 4.297 4.340 0.222 0.000 0.238 78 R C 2.177 178.368 176.300 -0.182 0.000 1.134 78 R CA 1.471 57.472 56.100 -0.165 0.000 0.975 78 R CB -0.514 29.774 30.300 -0.019 0.000 0.865 78 R HN 0.438 nan 8.270 nan 0.000 0.447 79 Q N 0.651 120.382 119.800 -0.115 0.000 2.046 79 Q HA -0.090 4.384 4.340 0.222 0.000 0.200 79 Q C 1.959 177.879 176.000 -0.134 0.000 0.975 79 Q CA 1.076 56.822 55.803 -0.096 0.000 0.836 79 Q CB -0.088 28.619 28.738 -0.052 0.000 0.896 79 Q HN 0.198 nan 8.270 nan 0.000 0.428 80 K N 1.136 121.438 120.400 -0.163 0.000 2.097 80 K HA -0.087 4.366 4.320 0.222 0.000 0.206 80 K C 2.103 178.565 176.600 -0.232 0.000 1.049 80 K CA 0.985 57.169 56.287 -0.171 0.000 0.933 80 K CB -0.408 32.008 32.500 -0.140 0.000 0.717 80 K HN 0.444 nan 8.250 nan 0.000 0.442 81 I N -1.365 118.982 120.570 -0.372 0.000 3.810 81 I HA 0.235 4.538 4.170 0.222 0.000 0.322 81 I C 0.400 176.384 176.117 -0.223 0.000 1.288 81 I CA -0.505 60.588 61.300 -0.345 0.000 1.143 81 I CB -0.200 37.471 38.000 -0.549 0.000 1.012 81 I HN -0.238 nan 8.210 nan 0.000 0.423 82 A N 1.639 124.354 122.820 -0.176 0.000 2.520 82 A HA 0.428 4.881 4.320 0.222 0.000 0.245 82 A C 1.548 179.076 177.584 -0.094 0.000 1.072 82 A CA 0.702 52.668 52.037 -0.117 0.000 0.761 82 A CB -0.480 18.465 19.000 -0.092 0.000 1.004 82 A HN 1.105 nan 8.150 nan 0.000 0.499 83 G N 0.323 109.078 108.800 -0.075 0.000 2.199 83 G HA2 -0.136 3.957 3.960 0.222 0.000 0.254 83 G HA3 -0.136 3.957 3.960 0.222 0.000 0.254 83 G C 0.586 175.449 174.900 -0.061 0.000 0.982 83 G CA 0.724 45.788 45.100 -0.060 0.000 0.632 83 G HN 2.341 nan 8.290 nan 0.000 0.529 84 V N -2.034 117.834 119.914 -0.078 0.000 3.157 84 V HA 0.506 4.759 4.120 0.222 0.000 0.361 84 V C 0.405 176.456 176.094 -0.071 0.000 1.421 84 V CA 0.773 63.030 62.300 -0.071 0.000 1.213 84 V CB 0.475 32.248 31.823 -0.083 0.000 1.164 84 V HN 0.265 nan 8.190 nan 0.000 0.559 85 D N -0.066 120.294 120.400 -0.068 0.000 2.388 85 D HA 0.069 4.842 4.640 0.222 0.000 0.221 85 D C 1.591 177.889 176.300 -0.004 0.000 1.133 85 D CA -0.068 53.901 54.000 -0.051 0.000 0.831 85 D CB 0.226 40.976 40.800 -0.084 0.000 0.962 85 D HN 0.462 nan 8.370 nan 0.000 0.502 86 R N 1.476 121.975 120.500 -0.000 0.000 2.105 86 R HA -0.072 4.401 4.340 0.222 0.000 0.239 86 R C 0.692 177.017 176.300 0.041 0.000 1.135 86 R CA 1.156 57.265 56.100 0.015 0.000 0.967 86 R CB 0.109 30.413 30.300 0.007 0.000 0.861 86 R HN 0.039 nan 8.270 nan 0.000 0.442 87 K N 0.119 120.555 120.400 0.060 0.000 2.593 87 K HA 0.224 4.677 4.320 0.222 0.000 0.208 87 K C -1.124 175.566 176.600 0.150 0.000 1.051 87 K CA -0.312 56.034 56.287 0.099 0.000 1.111 87 K CB 1.810 34.375 32.500 0.108 0.000 0.849 87 K HN -0.066 nan 8.250 nan 0.000 0.479 88 V N 1.563 121.559 119.914 0.137 0.000 2.459 88 V HA 0.229 4.482 4.120 0.222 0.000 0.295 88 V C -0.561 175.640 176.094 0.178 0.000 1.029 88 V CA -0.842 61.579 62.300 0.202 0.000 0.874 88 V CB 1.607 33.540 31.823 0.184 0.000 0.985 88 V HN 0.149 nan 8.190 nan 0.000 0.438 89 Q N 3.854 123.774 119.800 0.201 0.000 2.333 89 Q HA 0.568 5.041 4.340 0.222 0.000 0.265 89 Q C -1.286 174.821 176.000 0.179 0.000 0.989 89 Q CA -0.296 55.597 55.803 0.150 0.000 0.842 89 Q CB 1.907 30.709 28.738 0.108 0.000 1.262 89 Q HN 0.561 nan 8.270 nan 0.000 0.451 90 V N 4.889 124.904 119.914 0.169 0.000 2.432 90 V HA 0.512 4.766 4.120 0.222 0.000 0.275 90 V C -0.515 175.637 176.094 0.096 0.000 1.043 90 V CA -0.599 61.806 62.300 0.175 0.000 0.925 90 V CB 1.474 33.423 31.823 0.209 0.000 0.985 90 V HN 0.661 nan 8.190 nan 0.000 0.466 91 V N 5.072 125.022 119.914 0.060 0.000 2.483 91 V HA 0.397 4.650 4.120 0.222 0.000 0.297 91 V C -0.221 175.882 176.094 0.016 0.000 1.027 91 V CA -0.618 61.701 62.300 0.033 0.000 0.855 91 V CB 1.653 33.487 31.823 0.017 0.000 0.995 91 V HN 0.935 nan 8.190 nan 0.000 0.424 92 Q N 3.467 123.279 119.800 0.019 0.000 2.360 92 Q HA 0.742 5.215 4.340 0.222 0.000 0.254 92 Q C -0.488 175.516 176.000 0.006 0.000 0.975 92 Q CA -0.110 55.699 55.803 0.010 0.000 0.912 92 Q CB 1.307 30.055 28.738 0.016 0.000 1.212 92 Q HN 1.018 nan 8.270 nan 0.000 0.452 93 A N 3.754 126.573 122.820 -0.001 0.000 2.540 93 A HA 0.421 4.874 4.320 0.222 0.000 0.291 93 A C -1.748 175.835 177.584 -0.002 0.000 1.083 93 A CA -0.920 51.118 52.037 0.001 0.000 0.650 93 A CB 1.274 20.275 19.000 0.002 0.000 1.292 93 A HN 0.711 nan 8.150 nan 0.000 0.435 94 D N 0.968 121.370 120.400 0.004 0.000 2.210 94 D HA 0.487 5.260 4.640 0.222 0.000 0.249 94 D C 1.308 177.615 176.300 0.012 0.000 1.078 94 D CA 0.548 54.553 54.000 0.007 0.000 0.875 94 D CB 1.810 42.617 40.800 0.013 0.000 1.175 94 D HN 0.688 nan 8.370 nan 0.000 0.440 95 A N 3.338 126.167 122.820 0.014 0.000 2.076 95 A HA -0.228 4.225 4.320 0.222 0.000 0.220 95 A C 1.937 179.550 177.584 0.048 0.000 1.160 95 A CA 1.226 53.278 52.037 0.024 0.000 0.653 95 A CB -0.239 18.776 19.000 0.025 0.000 0.801 95 A HN 0.513 nan 8.150 nan 0.000 0.455 96 R N -0.928 119.600 120.500 0.047 0.000 2.152 96 R HA 0.021 4.494 4.340 0.222 0.000 0.232 96 R C 0.539 176.857 176.300 0.030 0.000 1.117 96 R CA 1.020 57.147 56.100 0.045 0.000 0.981 96 R CB -0.189 30.132 30.300 0.035 0.000 0.870 96 R HN 0.440 nan 8.270 nan 0.000 0.451 97 A N 0.968 123.801 122.820 0.022 0.000 2.984 97 A HA 0.325 4.778 4.320 0.222 0.000 0.320 97 A C -0.448 177.143 177.584 0.011 0.000 1.142 97 A CA -0.643 51.403 52.037 0.014 0.000 0.772 97 A CB 0.366 19.372 19.000 0.010 0.000 1.195 97 A HN 0.067 nan 8.150 nan 0.000 0.459 98 I N 3.397 123.974 120.570 0.012 0.000 2.587 98 I HA 0.147 4.450 4.170 0.222 0.000 0.284 98 I C -1.472 174.647 176.117 0.003 0.000 1.134 98 I CA -1.111 60.192 61.300 0.005 0.000 1.410 98 I CB 1.102 39.105 38.000 0.005 0.000 1.392 98 I HN 0.411 nan 8.210 nan 0.000 0.545 99 P HA 0.292 nan 4.420 nan 0.000 0.220 99 P C -0.820 176.480 177.300 0.000 0.000 1.806 99 P CA 0.234 63.335 63.100 0.003 0.000 0.976 99 P CB 0.003 31.706 31.700 0.005 0.000 1.952 100 L N 1.364 122.585 121.223 -0.004 0.000 2.376 100 L HA 0.569 5.042 4.340 0.222 0.000 0.258 100 L C -2.476 174.387 176.870 -0.011 0.000 1.013 100 L CA -2.688 52.147 54.840 -0.009 0.000 0.822 100 L CB 2.411 44.460 42.059 -0.016 0.000 1.388 100 L HN -0.112 nan 8.230 nan 0.000 0.413 101 P HA 0.153 nan 4.420 nan 0.000 0.274 101 P C -1.392 175.896 177.300 -0.021 0.000 1.246 101 P CA -0.537 62.554 63.100 -0.015 0.000 0.795 101 P CB 0.406 32.097 31.700 -0.016 0.000 1.006 102 D N 1.195 121.585 120.400 -0.018 0.000 2.443 102 D HA 0.003 4.776 4.640 0.222 0.000 0.239 102 D C 0.172 176.453 176.300 -0.032 0.000 1.136 102 D CA 0.397 54.385 54.000 -0.020 0.000 0.879 102 D CB -0.173 40.619 40.800 -0.013 0.000 1.195 102 D HN 0.423 nan 8.370 nan 0.000 0.443 103 E N 0.249 120.424 120.200 -0.042 0.000 2.240 103 E HA -0.196 4.287 4.350 0.222 0.000 0.194 103 E C -0.055 176.489 176.600 -0.093 0.000 1.385 103 E CA 0.528 56.890 56.400 -0.064 0.000 0.686 103 E CB -1.585 28.088 29.700 -0.045 0.000 1.125 103 E HN 0.492 nan 8.360 nan 0.000 0.359 104 S N -1.831 113.801 115.700 -0.113 0.000 2.604 104 S HA 0.298 4.901 4.470 0.222 0.000 0.235 104 S C 0.602 175.075 174.600 -0.213 0.000 1.043 104 S CA 0.174 58.297 58.200 -0.128 0.000 0.997 104 S CB 0.790 63.947 63.200 -0.072 0.000 0.956 104 S HN 0.441 nan 8.310 nan 0.000 0.535 105 V N -1.007 118.754 119.914 -0.255 0.000 3.001 105 V HA 0.606 4.859 4.120 0.222 0.000 0.314 105 V C 0.458 176.286 176.094 -0.443 0.000 1.099 105 V CA -0.905 61.200 62.300 -0.324 0.000 0.989 105 V CB 1.301 33.027 31.823 -0.161 0.000 1.040 105 V HN 0.231 nan 8.190 nan 0.000 0.434 106 H N 1.824 120.799 119.070 -0.159 0.000 2.582 106 H HA 0.417 5.106 4.556 0.222 0.000 0.269 106 H C 0.875 176.070 175.328 -0.221 0.000 0.962 106 H CA 1.042 56.976 56.048 -0.190 0.000 1.230 106 H CB 1.298 30.914 29.762 -0.244 0.000 1.445 106 H HN 0.933 nan 8.280 nan 0.000 0.528 107 G N 0.595 109.299 108.800 -0.159 0.000 2.731 107 G HA2 0.451 4.544 3.960 0.222 0.000 0.298 107 G HA3 0.451 4.544 3.960 0.222 0.000 0.298 107 G C -1.465 173.436 174.900 0.002 0.000 1.424 107 G CA -0.315 44.736 45.100 -0.082 0.000 1.029 107 G HN 0.001 nan 8.290 nan 0.000 0.518 108 V N 3.329 123.266 119.914 0.039 0.000 2.378 108 V HA 0.431 4.684 4.120 0.222 0.000 0.288 108 V C -0.050 176.083 176.094 0.065 0.000 1.016 108 V CA -0.573 61.745 62.300 0.030 0.000 0.840 108 V CB 1.283 33.123 31.823 0.030 0.000 0.994 108 V HN 0.640 nan 8.190 nan 0.000 0.431 109 I N 5.273 125.871 120.570 0.046 0.000 2.353 109 I HA 0.484 4.787 4.170 0.222 0.000 0.293 109 I C -0.600 175.519 176.117 0.003 0.000 0.992 109 I CA -0.617 60.720 61.300 0.061 0.000 1.268 109 I CB 1.783 39.827 38.000 0.072 0.000 1.387 109 I HN 0.274 nan 8.210 nan 0.000 0.478 110 V N 7.347 127.264 119.914 0.006 0.000 2.398 110 V HA 0.312 4.566 4.120 0.222 0.000 0.282 110 V C -0.335 175.748 176.094 -0.018 0.000 1.014 110 V CA -0.569 61.657 62.300 -0.123 0.000 0.838 110 V CB 1.730 33.362 31.823 -0.318 0.000 1.018 110 V HN 0.406 nan 8.190 nan 0.000 0.432 111 V N 4.329 124.257 119.914 0.023 0.000 2.407 111 V HA 0.502 4.755 4.120 0.222 0.000 0.291 111 V C 0.319 176.520 176.094 0.179 0.000 1.018 111 V CA -0.501 61.889 62.300 0.151 0.000 0.842 111 V CB 0.884 32.787 31.823 0.134 0.000 0.996 111 V HN 1.073 nan 8.190 nan 0.000 0.426 112 H N 3.527 122.675 119.070 0.131 0.000 2.680 112 H HA -0.191 4.498 4.556 0.221 0.000 0.328 112 H C 0.445 175.787 175.328 0.022 0.000 1.139 112 H CA 0.570 56.657 56.048 0.064 0.000 1.124 112 H CB -0.256 29.544 29.762 0.062 0.000 1.584 112 H HN 0.551 nan 8.280 nan 0.000 0.410 113 L N -1.202 120.042 121.223 0.036 0.000 2.678 113 L HA 0.152 4.625 4.340 0.222 0.000 0.211 113 L C 1.937 178.793 176.870 -0.023 0.000 1.043 113 L CA 0.607 55.360 54.840 -0.146 0.000 0.881 113 L CB -0.178 41.691 42.059 -0.316 0.000 1.361 113 L HN 0.407 nan 8.230 nan 0.000 0.484 114 W N 1.271 122.688 121.300 0.194 0.000 2.277 114 W HA -0.363 4.429 4.660 0.220 0.000 0.327 114 W C 2.607 179.204 176.519 0.130 0.000 1.284 114 W CA 1.601 59.030 57.345 0.140 0.000 1.277 114 W CB -0.721 28.755 29.460 0.027 0.000 1.141 114 W HN 0.465 nan 8.180 nan 0.000 0.482 115 H N -0.615 118.671 119.070 0.360 0.000 2.546 115 H HA 0.019 4.710 4.556 0.225 0.000 0.277 115 H C 1.748 177.169 175.328 0.154 0.000 1.004 115 H CA 1.224 57.398 56.048 0.210 0.000 1.231 115 H CB -0.911 28.952 29.762 0.167 0.000 1.382 115 H HN 0.288 nan 8.280 nan 0.000 0.580 116 L N 0.863 121.853 121.223 -0.387 0.000 2.529 116 L HA 0.153 4.626 4.340 0.222 0.000 0.223 116 L C 0.422 177.271 176.870 -0.035 0.000 1.113 116 L CA -0.101 54.586 54.840 -0.254 0.000 0.861 116 L CB 0.467 42.322 42.059 -0.341 0.000 1.012 116 L HN -0.012 nan 8.230 nan 0.000 0.461 117 V N 1.012 120.970 119.914 0.073 0.000 2.617 117 V HA 0.175 4.428 4.120 0.222 0.000 0.298 117 V C -0.934 175.260 176.094 0.167 0.000 1.048 117 V CA -0.958 61.424 62.300 0.136 0.000 0.964 117 V CB 1.469 33.429 31.823 0.229 0.000 1.004 117 V HN 0.016 nan 8.190 nan 0.000 0.466 118 P HA -0.003 nan 4.420 nan 0.000 0.217 118 P C -0.034 177.332 177.300 0.110 0.000 1.154 118 P CA 0.925 64.088 63.100 0.106 0.000 0.841 118 P CB 0.343 32.081 31.700 0.063 0.000 0.790 119 D N -0.130 120.325 120.400 0.091 0.000 2.404 119 D HA 0.013 4.786 4.640 0.222 0.000 0.267 119 D C 1.148 177.473 176.300 0.041 0.000 1.194 119 D CA -0.876 53.121 54.000 -0.005 0.000 0.910 119 D CB -0.121 40.644 40.800 -0.059 0.000 1.090 119 D HN 0.302 nan 8.370 nan 0.000 0.511 120 W N 1.180 122.526 121.300 0.078 0.000 2.402 120 W HA 0.014 4.809 4.660 0.225 0.000 0.286 120 W C -1.705 174.823 176.519 0.015 0.000 1.221 120 W CA 0.688 58.103 57.345 0.116 0.000 1.257 120 W CB -2.127 27.349 29.460 0.027 0.000 1.120 120 W HN 0.237 nan 8.180 nan 0.000 0.551 121 P HA -0.185 nan 4.420 nan 0.000 0.217 121 P C 1.833 178.990 177.300 -0.238 0.000 1.148 121 P CA 2.179 64.826 63.100 -0.755 0.000 0.828 121 P CB -0.165 30.977 31.700 -0.931 0.000 0.783 122 K N -0.601 119.711 120.400 -0.146 0.000 2.116 122 K HA 0.015 4.468 4.320 0.222 0.000 0.203 122 K C 1.935 178.575 176.600 0.067 0.000 1.052 122 K CA 0.754 57.019 56.287 -0.036 0.000 0.952 122 K CB -0.942 31.538 32.500 -0.033 0.000 0.729 122 K HN 0.046 nan 8.250 nan 0.000 0.446 123 V N 1.742 121.756 119.914 0.167 0.000 2.307 123 V HA -0.235 4.018 4.120 0.222 0.000 0.245 123 V C 2.410 178.697 176.094 0.321 0.000 1.045 123 V CA 1.356 63.819 62.300 0.271 0.000 1.024 123 V CB -0.480 31.608 31.823 0.442 0.000 0.651 123 V HN 0.177 nan 8.190 nan 0.000 0.449 124 L N 1.139 122.594 121.223 0.388 0.000 2.012 124 L HA -0.141 4.332 4.340 0.222 0.000 0.210 124 L C 2.462 179.440 176.870 0.181 0.000 1.073 124 L CA 2.495 57.539 54.840 0.339 0.000 0.748 124 L CB -1.065 41.130 42.059 0.227 0.000 0.891 124 L HN 0.227 nan 8.230 nan 0.000 0.431 125 A N -0.906 121.974 122.820 0.099 0.000 1.908 125 A HA -0.214 4.239 4.320 0.222 0.000 0.218 125 A C 2.201 179.820 177.584 0.057 0.000 1.181 125 A CA 1.853 53.919 52.037 0.049 0.000 0.627 125 A CB -0.646 18.356 19.000 0.003 0.000 0.818 125 A HN 0.573 nan 8.150 nan 0.000 0.445 126 E N -0.276 119.967 120.200 0.071 0.000 2.072 126 E HA -0.115 4.368 4.350 0.222 0.000 0.191 126 E C 2.405 179.042 176.600 0.062 0.000 0.985 126 E CA 1.148 57.582 56.400 0.056 0.000 0.801 126 E CB -0.518 29.216 29.700 0.057 0.000 0.750 126 E HN 0.572 nan 8.360 nan 0.000 0.452 127 A N 1.366 124.247 122.820 0.101 0.000 1.883 127 A HA -0.166 4.288 4.320 0.222 0.000 0.217 127 A C 2.307 179.934 177.584 0.071 0.000 1.186 127 A CA 1.200 53.295 52.037 0.097 0.000 0.624 127 A CB -0.673 18.429 19.000 0.170 0.000 0.822 127 A HN 0.177 nan 8.150 nan 0.000 0.444 128 I N -1.147 119.471 120.570 0.079 0.000 2.315 128 I HA -0.234 4.070 4.170 0.222 0.000 0.248 128 I C 2.722 178.855 176.117 0.026 0.000 1.117 128 I CA 1.549 62.881 61.300 0.053 0.000 1.404 128 I CB -0.346 37.687 38.000 0.054 0.000 1.071 128 I HN 0.405 nan 8.210 nan 0.000 0.419 129 R N 1.133 121.647 120.500 0.023 0.000 2.081 129 R HA -0.155 4.318 4.340 0.222 0.000 0.235 129 R C 2.184 178.480 176.300 -0.006 0.000 1.131 129 R CA 2.068 58.173 56.100 0.008 0.000 0.960 129 R CB -0.146 30.159 30.300 0.009 0.000 0.856 129 R HN 0.396 nan 8.270 nan 0.000 0.436 130 V N -0.794 119.115 119.914 -0.007 0.000 3.461 130 V HA 0.167 4.420 4.120 0.222 0.000 0.267 130 V C 0.975 177.037 176.094 -0.053 0.000 1.186 130 V CA 0.445 62.728 62.300 -0.029 0.000 1.154 130 V CB -0.437 31.370 31.823 -0.026 0.000 0.802 130 V HN 0.040 nan 8.190 nan 0.000 0.474 131 L N 1.579 122.779 121.223 -0.039 0.000 2.349 131 L HA 0.353 4.826 4.340 0.222 0.000 0.275 131 L C 0.674 177.503 176.870 -0.067 0.000 1.115 131 L CA -0.038 54.767 54.840 -0.059 0.000 0.820 131 L CB 0.979 43.023 42.059 -0.024 0.000 1.135 131 L HN 0.179 nan 8.230 nan 0.000 0.445 132 K N 3.456 123.790 120.400 -0.109 0.000 2.138 132 K HA 0.294 4.748 4.320 0.222 0.000 0.251 132 K C -2.303 174.280 176.600 -0.028 0.000 1.015 132 K CA -1.611 54.624 56.287 -0.087 0.000 0.917 132 K CB 0.297 32.703 32.500 -0.156 0.000 1.021 132 K HN 0.269 nan 8.250 nan 0.000 0.485 133 P HA -0.033 nan 4.420 nan 0.000 0.265 133 P C 0.352 177.670 177.300 0.031 0.000 1.193 133 P CA 0.733 63.842 63.100 0.014 0.000 0.765 133 P CB 0.503 32.214 31.700 0.019 0.000 0.823 134 G N 1.845 110.662 108.800 0.028 0.000 2.179 134 G HA2 -0.184 3.909 3.960 0.222 0.000 0.260 134 G HA3 -0.184 3.909 3.960 0.222 0.000 0.260 134 G C 0.654 175.557 174.900 0.005 0.000 0.977 134 G CA -0.104 45.018 45.100 0.036 0.000 0.641 134 G HN 0.891 nan 8.290 nan 0.000 0.533 135 G N -0.323 108.478 108.800 0.001 0.000 2.606 135 G HA2 0.716 4.809 3.960 0.222 0.000 0.252 135 G HA3 0.716 4.809 3.960 0.222 0.000 0.252 135 G C 0.070 174.945 174.900 -0.042 0.000 1.206 135 G CA 0.485 45.572 45.100 -0.021 0.000 0.861 135 G HN 1.634 nan 8.290 nan 0.000 0.561 136 A N 0.025 122.815 122.820 -0.050 0.000 2.393 136 A HA 0.610 5.063 4.320 0.222 0.000 0.306 136 A C -0.885 176.712 177.584 0.020 0.000 1.050 136 A CA -0.612 51.407 52.037 -0.029 0.000 0.724 136 A CB 1.826 20.781 19.000 -0.076 0.000 1.248 136 A HN 0.931 nan 8.150 nan 0.000 0.424 137 L N 2.420 123.677 121.223 0.056 0.000 2.305 137 L HA 0.605 5.078 4.340 0.222 0.000 0.281 137 L C -0.922 176.019 176.870 0.118 0.000 1.085 137 L CA 0.046 54.946 54.840 0.101 0.000 0.813 137 L CB 0.517 42.661 42.059 0.141 0.000 1.157 137 L HN 0.557 nan 8.230 nan 0.000 0.436 138 L N 5.743 127.047 121.223 0.134 0.000 2.353 138 L HA 0.484 4.957 4.340 0.222 0.000 0.270 138 L C -0.409 176.569 176.870 0.178 0.000 1.003 138 L CA -0.417 54.513 54.840 0.149 0.000 0.862 138 L CB 1.095 43.246 42.059 0.153 0.000 1.221 138 L HN 0.615 nan 8.230 nan 0.000 0.430 139 E N 1.956 122.292 120.200 0.227 0.000 2.204 139 E HA 0.711 5.194 4.350 0.222 0.000 0.276 139 E C -0.065 176.704 176.600 0.281 0.000 0.974 139 E CA -0.632 55.952 56.400 0.306 0.000 0.815 139 E CB 2.488 32.471 29.700 0.472 0.000 1.119 139 E HN 0.632 nan 8.360 nan 0.000 0.393 140 G N 2.133 111.119 108.800 0.309 0.000 2.659 140 G HA2 0.665 4.758 3.960 0.222 0.000 0.296 140 G HA3 0.665 4.758 3.960 0.222 0.000 0.296 140 G C -1.942 173.018 174.900 0.101 0.000 1.369 140 G CA -0.841 44.263 45.100 0.006 0.000 0.937 140 G HN 0.585 nan 8.290 nan 0.000 0.485 141 W N 0.358 121.227 121.300 -0.718 0.000 3.275 141 W HA 0.589 5.379 4.660 0.217 0.000 0.306 141 W C -1.308 175.035 176.519 -0.294 0.000 1.259 141 W CA -1.221 56.049 57.345 -0.124 0.000 1.194 141 W CB 0.719 30.327 29.460 0.247 0.000 1.375 141 W HN 0.445 nan 8.180 nan 0.000 0.564 142 D N 1.981 122.678 120.400 0.496 0.000 2.283 142 D HA 0.212 4.985 4.640 0.222 0.000 0.248 142 D C -0.997 175.521 176.300 0.362 0.000 1.072 142 D CA -0.247 54.010 54.000 0.427 0.000 0.929 142 D CB 2.031 43.179 40.800 0.580 0.000 1.182 142 D HN 0.533 nan 8.370 nan 0.000 0.433 143 Q N 0.356 120.265 119.800 0.181 0.000 2.263 143 Q HA 0.545 5.018 4.340 0.222 0.000 0.266 143 Q C -1.952 174.045 176.000 -0.005 0.000 1.002 143 Q CA -0.729 55.147 55.803 0.122 0.000 0.790 143 Q CB 1.773 30.573 28.738 0.103 0.000 1.272 143 Q HN 0.543 nan 8.270 nan 0.000 0.435 144 A N 3.507 126.322 122.820 -0.008 0.000 2.337 144 A HA 0.690 5.144 4.320 0.222 0.000 0.329 144 A C -0.654 176.874 177.584 -0.093 0.000 1.146 144 A CA -0.653 51.345 52.037 -0.064 0.000 0.800 144 A CB 1.228 20.226 19.000 -0.004 0.000 1.220 144 A HN 0.723 nan 8.150 nan 0.000 0.472 145 E N 0.686 120.815 120.200 -0.118 0.000 2.312 145 E HA 0.512 4.995 4.350 0.222 0.000 0.259 145 E C 0.487 176.989 176.600 -0.163 0.000 1.122 145 E CA -0.257 56.052 56.400 -0.152 0.000 0.922 145 E CB 1.226 30.846 29.700 -0.133 0.000 1.109 145 E HN 0.799 nan 8.360 nan 0.000 0.442 146 A N 1.179 123.840 122.820 -0.265 0.000 2.561 146 A HA 0.323 4.776 4.320 0.222 0.000 0.234 146 A C 0.354 177.886 177.584 -0.085 0.000 1.055 146 A CA 0.763 52.629 52.037 -0.286 0.000 0.756 146 A CB -0.206 18.531 19.000 -0.439 0.000 0.986 146 A HN 0.645 nan 8.150 nan 0.000 0.505 147 S N 0.723 116.434 115.700 0.018 0.000 2.655 147 S HA 0.595 5.198 4.470 0.222 0.000 0.266 147 S C -2.801 171.719 174.600 -0.132 0.000 1.149 147 S CA -0.559 57.613 58.200 -0.046 0.000 0.818 147 S CB 0.805 64.019 63.200 0.023 0.000 1.130 147 S HN 0.206 nan 8.310 nan 0.000 0.476 148 P HA -0.015 nan 4.420 nan 0.000 0.219 148 P C 1.284 178.380 177.300 -0.340 0.000 1.146 148 P CA 1.401 64.164 63.100 -0.562 0.000 0.808 148 P CB 0.053 31.105 31.700 -1.080 0.000 0.779 149 E N -1.534 118.513 120.200 -0.255 0.000 2.077 149 E HA -0.214 4.269 4.350 0.222 0.000 0.193 149 E C 1.782 178.447 176.600 0.108 0.000 0.989 149 E CA 0.877 57.357 56.400 0.133 0.000 0.800 149 E CB -0.596 29.320 29.700 0.360 0.000 0.746 149 E HN 0.171 nan 8.360 nan 0.000 0.452 150 W N 1.319 122.575 121.300 -0.074 0.000 2.358 150 W HA -0.163 4.445 4.660 -0.087 0.000 0.303 150 W C 2.120 178.582 176.519 -0.095 0.000 1.208 150 W CA 2.263 59.551 57.345 -0.095 0.000 1.274 150 W CB -0.692 28.708 29.460 -0.101 0.000 1.138 150 W HN -0.021 nan 8.180 nan 0.000 0.515 151 T N 1.551 116.061 114.554 -0.074 0.000 2.720 151 T HA -0.252 4.232 4.350 0.222 0.000 0.268 151 T C 1.924 176.463 174.700 -0.267 0.000 1.037 151 T CA 2.065 64.017 62.100 -0.247 0.000 1.144 151 T CB -0.617 68.246 68.868 -0.008 0.000 0.864 151 T HN 0.143 nan 8.240 nan 0.000 0.444 152 L N 0.533 121.698 121.223 -0.097 0.000 2.056 152 L HA -0.123 4.350 4.340 0.222 0.000 0.207 152 L C 2.909 179.740 176.870 -0.064 0.000 1.078 152 L CA 1.365 56.179 54.840 -0.043 0.000 0.749 152 L CB -0.489 41.625 42.059 0.090 0.000 0.901 152 L HN 0.300 nan 8.230 nan 0.000 0.433 153 Q N -0.582 119.171 119.800 -0.078 0.000 2.124 153 Q HA -0.199 4.274 4.340 0.222 0.000 0.202 153 Q C 2.144 178.064 176.000 -0.133 0.000 0.977 153 Q CA 1.133 56.924 55.803 -0.020 0.000 0.850 153 Q CB -0.016 28.657 28.738 -0.109 0.000 0.901 153 Q HN 0.405 nan 8.270 nan 0.000 0.429 154 E N 0.526 120.461 120.200 -0.442 0.000 2.106 154 E HA -0.161 4.322 4.350 0.222 0.000 0.192 154 E C 1.935 178.281 176.600 -0.423 0.000 0.984 154 E CA 0.790 56.878 56.400 -0.520 0.000 0.806 154 E CB -0.055 29.114 29.700 -0.884 0.000 0.750 154 E HN 0.093 nan 8.360 nan 0.000 0.458 155 R N 0.113 120.305 120.500 -0.512 0.000 2.096 155 R HA -0.143 4.330 4.340 0.222 0.000 0.235 155 R C 1.914 177.895 176.300 -0.531 0.000 1.127 155 R CA 1.438 57.076 56.100 -0.770 0.000 0.968 155 R CB -0.820 28.818 30.300 -1.103 0.000 0.861 155 R HN 0.274 nan 8.270 nan 0.000 0.440 156 W N 0.895 122.020 121.300 -0.291 0.000 2.355 156 W HA -0.197 4.587 4.660 0.207 0.000 0.309 156 W C 1.813 178.342 176.519 0.017 0.000 1.206 156 W CA 1.850 59.188 57.345 -0.011 0.000 1.284 156 W CB -0.077 29.467 29.460 0.140 0.000 1.145 156 W HN 0.013 nan 8.180 nan 0.000 0.502 157 R N -0.032 120.694 120.500 0.376 0.000 2.081 157 R HA -0.129 4.345 4.340 0.222 0.000 0.235 157 R C 2.422 178.683 176.300 -0.064 0.000 1.131 157 R CA 1.550 57.793 56.100 0.239 0.000 0.960 157 R CB -1.043 29.334 30.300 0.130 0.000 0.856 157 R HN 0.253 nan 8.270 nan 0.000 0.436 158 A N 0.972 123.660 122.820 -0.220 0.000 1.877 158 A HA -0.149 4.304 4.320 0.222 0.000 0.216 158 A C 1.846 179.309 177.584 -0.201 0.000 1.186 158 A CA 1.199 53.072 52.037 -0.274 0.000 0.620 158 A CB -0.559 18.169 19.000 -0.453 0.000 0.822 158 A HN 0.168 nan 8.150 nan 0.000 0.443 159 F N 0.260 120.062 119.950 -0.247 0.000 2.171 159 F HA -0.076 4.594 4.527 0.239 0.000 0.300 159 F C 2.795 178.429 175.800 -0.277 0.000 1.090 159 F CA 0.345 58.188 58.000 -0.262 0.000 1.293 159 F CB -1.029 37.784 39.000 -0.311 0.000 1.013 159 F HN 0.274 nan 8.300 nan 0.000 0.486 160 A N -0.040 122.651 122.820 -0.215 0.000 1.902 160 A HA -0.038 4.416 4.320 0.222 0.000 0.217 160 A C 2.473 180.052 177.584 -0.008 0.000 1.181 160 A CA 1.784 53.679 52.037 -0.236 0.000 0.623 160 A CB -1.255 17.470 19.000 -0.459 0.000 0.818 160 A HN 0.280 nan 8.150 nan 0.000 0.443 161 A N -0.642 122.170 122.820 -0.013 0.000 1.933 161 A HA -0.174 4.279 4.320 0.222 0.000 0.218 161 A C 1.970 179.566 177.584 0.020 0.000 1.175 161 A CA 1.680 53.724 52.037 0.012 0.000 0.628 161 A CB -0.478 18.513 19.000 -0.015 0.000 0.814 161 A HN 0.631 nan 8.150 nan 0.000 0.444 162 E N -0.546 119.672 120.200 0.030 0.000 2.268 162 E HA -0.137 4.346 4.350 0.222 0.000 0.195 162 E C 1.298 177.930 176.600 0.054 0.000 0.995 162 E CA 0.686 57.113 56.400 0.045 0.000 0.836 162 E CB 0.054 29.808 29.700 0.089 0.000 0.763 162 E HN 0.521 nan 8.360 nan 0.000 0.491 163 E N -0.835 119.415 120.200 0.083 0.000 2.435 163 E HA -0.012 4.471 4.350 0.222 0.000 0.195 163 E C 1.050 177.792 176.600 0.237 0.000 1.029 163 E CA 0.736 57.226 56.400 0.150 0.000 0.865 163 E CB 0.804 30.594 29.700 0.150 0.000 0.833 163 E HN 0.390 nan 8.360 nan 0.000 0.510 164 G N 0.897 109.761 108.800 0.107 0.000 2.134 164 G HA2 -0.244 3.849 3.960 0.222 0.000 0.209 164 G HA3 -0.244 3.849 3.960 0.222 0.000 0.209 164 G C 0.067 174.747 174.900 -0.367 0.000 0.993 164 G CA -0.227 44.807 45.100 -0.110 0.000 0.669 164 G HN 0.208 nan 8.290 nan 0.000 0.519 165 F N 1.797 121.738 119.950 -0.014 0.000 2.597 165 F HA 0.332 4.991 4.527 0.220 0.000 0.336 165 F C -1.645 174.163 175.800 0.013 0.000 1.432 165 F CA -1.847 56.155 58.000 0.004 0.000 1.120 165 F CB 1.437 40.438 39.000 0.003 0.000 1.253 165 F HN -0.044 nan 8.300 nan 0.000 0.546 166 P HA -0.020 nan 4.420 nan 0.000 0.265 166 P C -0.199 177.184 177.300 0.138 0.000 1.187 166 P CA 0.438 63.586 63.100 0.080 0.000 0.766 166 P CB 1.913 33.629 31.700 0.027 0.000 0.820 167 V N 2.816 122.837 119.914 0.179 0.000 2.630 167 V HA 0.213 4.467 4.120 0.222 0.000 0.305 167 V C 0.799 176.993 176.094 0.166 0.000 1.046 167 V CA -0.815 61.629 62.300 0.240 0.000 0.934 167 V CB 1.433 33.521 31.823 0.442 0.000 1.003 167 V HN 0.643 nan 8.190 nan 0.000 0.451 168 E N 3.822 124.116 120.200 0.157 0.000 2.415 168 E HA 0.181 4.664 4.350 0.222 0.000 0.262 168 E C -0.143 176.504 176.600 0.078 0.000 1.038 168 E CA -0.330 56.132 56.400 0.103 0.000 0.921 168 E CB 0.733 30.496 29.700 0.105 0.000 0.950 168 E HN 0.572 nan 8.360 nan 0.000 0.438 169 R N 2.590 123.105 120.500 0.024 0.000 2.514 169 R HA 0.357 4.830 4.340 0.222 0.000 0.301 169 R C -0.235 176.043 176.300 -0.038 0.000 0.962 169 R CA 0.144 56.224 56.100 -0.032 0.000 0.882 169 R CB 1.181 31.454 30.300 -0.045 0.000 1.143 169 R HN 0.818 nan 8.270 nan 0.000 0.452 170 G N 4.312 113.068 108.800 -0.074 0.000 2.332 170 G HA2 -0.267 3.826 3.960 0.222 0.000 0.277 170 G HA3 -0.267 3.826 3.960 0.222 0.000 0.277 170 G C 0.352 175.219 174.900 -0.055 0.000 0.884 170 G CA 0.642 45.696 45.100 -0.077 0.000 1.251 170 G HN 0.571 nan 8.290 nan 0.000 0.462 171 L N 0.223 121.438 121.223 -0.012 0.000 2.179 171 L HA 0.081 4.554 4.340 0.222 0.000 0.208 171 L C 2.342 179.216 176.870 0.005 0.000 1.096 171 L CA 2.454 57.305 54.840 0.019 0.000 0.779 171 L CB -0.490 41.627 42.059 0.098 0.000 0.922 171 L HN 0.651 nan 8.230 nan 0.000 0.443 172 H N -0.488 118.480 119.070 -0.171 0.000 2.319 172 H HA -0.192 4.496 4.556 0.220 0.000 0.299 172 H C 1.987 177.151 175.328 -0.272 0.000 1.092 172 H CA 1.423 57.323 56.048 -0.246 0.000 1.302 172 H CB 0.322 29.760 29.762 -0.539 0.000 1.373 172 H HN 0.483 nan 8.280 nan 0.000 0.497 173 A N 1.407 124.049 122.820 -0.298 0.000 1.859 173 A HA -0.256 4.197 4.320 0.222 0.000 0.217 173 A C 2.406 179.785 177.584 -0.342 0.000 1.198 173 A CA 2.122 53.937 52.037 -0.370 0.000 0.629 173 A CB -0.731 18.129 19.000 -0.234 0.000 0.830 173 A HN 0.509 nan 8.150 nan 0.000 0.446 174 K N -1.126 119.132 120.400 -0.237 0.000 2.103 174 K HA -0.232 4.221 4.320 0.222 0.000 0.207 174 K C 2.284 178.697 176.600 -0.311 0.000 1.048 174 K CA 1.705 57.863 56.287 -0.215 0.000 0.930 174 K CB -0.137 32.284 32.500 -0.132 0.000 0.716 174 K HN 0.255 nan 8.250 nan 0.000 0.444 175 R N 1.021 121.313 120.500 -0.346 0.000 2.081 175 R HA -0.011 4.462 4.340 0.222 0.000 0.235 175 R C 2.151 178.013 176.300 -0.729 0.000 1.131 175 R CA 1.362 57.144 56.100 -0.530 0.000 0.960 175 R CB -0.607 29.510 30.300 -0.304 0.000 0.856 175 R HN 0.268 nan 8.270 nan 0.000 0.436 176 L N 0.465 121.304 121.223 -0.640 0.000 2.083 176 L HA -0.202 4.272 4.340 0.222 0.000 0.209 176 L C 2.110 178.661 176.870 -0.531 0.000 1.083 176 L CA 1.275 55.719 54.840 -0.659 0.000 0.752 176 L CB -0.422 41.117 42.059 -0.867 0.000 0.899 176 L HN 0.105 nan 8.230 nan 0.000 0.433 177 K N 0.390 120.527 120.400 -0.440 0.000 2.057 177 K HA -0.137 4.316 4.320 0.222 0.000 0.206 177 K C 1.863 178.278 176.600 -0.307 0.000 1.050 177 K CA 1.286 57.390 56.287 -0.305 0.000 0.935 177 K CB -0.351 32.011 32.500 -0.230 0.000 0.715 177 K HN 0.445 nan 8.250 nan 0.000 0.439 178 E N 0.802 120.754 120.200 -0.414 0.000 2.150 178 E HA -0.093 4.390 4.350 0.222 0.000 0.193 178 E C 2.062 178.369 176.600 -0.488 0.000 0.985 178 E CA 0.753 56.922 56.400 -0.384 0.000 0.814 178 E CB -0.080 29.369 29.700 -0.418 0.000 0.752 178 E HN -0.052 nan 8.360 nan 0.000 0.466 179 V N 1.483 120.906 119.914 -0.819 0.000 2.358 179 V HA -0.260 3.993 4.120 0.222 0.000 0.246 179 V C 2.369 178.301 176.094 -0.270 0.000 1.047 179 V CA 2.008 63.899 62.300 -0.681 0.000 1.035 179 V CB -0.434 30.790 31.823 -0.998 0.000 0.658 179 V HN 0.281 nan 8.190 nan 0.000 0.452 180 E N 0.298 120.354 120.200 -0.239 0.000 2.085 180 E HA -0.312 4.171 4.350 0.222 0.000 0.194 180 E C 2.224 178.788 176.600 -0.061 0.000 0.994 180 E CA 1.880 58.218 56.400 -0.103 0.000 0.801 180 E CB -0.138 29.503 29.700 -0.100 0.000 0.743 180 E HN 0.726 nan 8.360 nan 0.000 0.453 181 E N -0.088 120.067 120.200 -0.076 0.000 2.023 181 E HA -0.264 4.219 4.350 0.222 0.000 0.196 181 E C 2.006 178.607 176.600 0.001 0.000 1.003 181 E CA 1.287 57.668 56.400 -0.031 0.000 0.809 181 E CB -0.270 29.413 29.700 -0.028 0.000 0.755 181 E HN 0.350 nan 8.360 nan 0.000 0.449 182 A N 1.153 123.988 122.820 0.025 0.000 1.892 182 A HA -0.217 4.236 4.320 0.222 0.000 0.218 182 A C 2.273 179.878 177.584 0.035 0.000 1.188 182 A CA 1.780 53.850 52.037 0.055 0.000 0.631 182 A CB -0.921 18.158 19.000 0.130 0.000 0.822 182 A HN 0.348 nan 8.150 nan 0.000 0.447 183 L N -1.277 119.961 121.223 0.025 0.000 1.989 183 L HA -0.257 4.217 4.340 0.222 0.000 0.211 183 L C 2.885 179.771 176.870 0.027 0.000 1.071 183 L CA 1.964 56.824 54.840 0.034 0.000 0.749 183 L CB -0.632 41.451 42.059 0.040 0.000 0.890 183 L HN 0.351 nan 8.230 nan 0.000 0.431 184 R N -0.189 120.322 120.500 0.019 0.000 2.083 184 R HA -0.202 4.271 4.340 0.222 0.000 0.237 184 R C 2.448 178.757 176.300 0.015 0.000 1.137 184 R CA 1.678 57.788 56.100 0.016 0.000 0.951 184 R CB -0.456 29.850 30.300 0.010 0.000 0.851 184 R HN 0.274 nan 8.270 nan 0.000 0.434 185 R N 1.168 121.677 120.500 0.014 0.000 2.117 185 R HA -0.137 4.336 4.340 0.222 0.000 0.243 185 R C 1.787 178.095 176.300 0.013 0.000 1.143 185 R CA 1.452 57.559 56.100 0.012 0.000 0.968 185 R CB -0.231 30.076 30.300 0.012 0.000 0.863 185 R HN 0.205 nan 8.270 nan 0.000 0.444 186 L N -0.566 120.668 121.223 0.018 0.000 2.554 186 L HA 0.217 4.690 4.340 0.222 0.000 0.226 186 L C 1.258 178.139 176.870 0.019 0.000 1.137 186 L CA 0.545 55.396 54.840 0.019 0.000 0.863 186 L CB 0.225 42.299 42.059 0.026 0.000 0.985 186 L HN 0.588 nan 8.230 nan 0.000 0.451 187 G N -0.086 108.726 108.800 0.020 0.000 2.136 187 G HA2 -0.259 3.834 3.960 0.222 0.000 0.242 187 G HA3 -0.259 3.834 3.960 0.222 0.000 0.242 187 G C 0.403 175.317 174.900 0.024 0.000 0.989 187 G CA -0.048 45.063 45.100 0.020 0.000 0.682 187 G HN 0.184 nan 8.290 nan 0.000 0.522 188 L N 0.311 121.551 121.223 0.029 0.000 2.591 188 L HA 0.319 4.793 4.340 0.222 0.000 0.228 188 L C 1.484 178.375 176.870 0.035 0.000 1.133 188 L CA 0.757 55.617 54.840 0.033 0.000 0.880 188 L CB -0.405 41.680 42.059 0.043 0.000 1.033 188 L HN 0.414 nan 8.230 nan 0.000 0.450 189 K N 0.404 120.823 120.400 0.031 0.000 4.116 189 K HA -0.173 4.280 4.320 0.222 0.000 0.277 189 K C -2.142 174.481 176.600 0.039 0.000 0.835 189 K CA -0.067 56.239 56.287 0.032 0.000 0.740 189 K CB -1.296 31.222 32.500 0.030 0.000 1.714 189 K HN 0.235 nan 8.250 nan 0.000 0.433 190 P HA -0.037 nan 4.420 nan 0.000 0.265 190 P C -0.551 176.783 177.300 0.056 0.000 1.222 190 P CA 0.481 63.617 63.100 0.059 0.000 0.767 190 P CB 0.628 32.367 31.700 0.065 0.000 0.801 191 R N 2.545 123.079 120.500 0.056 0.000 2.343 191 R HA 0.423 4.897 4.340 0.222 0.000 0.320 191 R C -0.063 176.266 176.300 0.048 0.000 0.956 191 R CA -0.469 55.659 56.100 0.047 0.000 0.836 191 R CB 1.450 31.774 30.300 0.040 0.000 1.151 191 R HN 0.355 nan 8.270 nan 0.000 0.450 192 T N 3.305 117.885 114.554 0.045 0.000 2.829 192 T HA 0.455 4.938 4.350 0.222 0.000 0.282 192 T C -0.045 174.648 174.700 -0.012 0.000 0.990 192 T CA -0.584 61.528 62.100 0.020 0.000 1.028 192 T CB 1.547 70.454 68.868 0.065 0.000 0.951 192 T HN 0.463 nan 8.240 nan 0.000 0.460 193 R N 1.632 122.101 120.500 -0.052 0.000 2.740 193 R HA 0.371 4.845 4.340 0.222 0.000 0.273 193 R C -1.214 175.039 176.300 -0.078 0.000 0.998 193 R CA -0.761 55.314 56.100 -0.041 0.000 0.900 193 R CB 1.619 31.914 30.300 -0.009 0.000 1.223 193 R HN 0.675 nan 8.270 nan 0.000 0.466 194 E N 2.972 123.144 120.200 -0.047 0.000 2.152 194 E HA 0.142 4.625 4.350 0.222 0.000 0.285 194 E C 0.314 176.922 176.600 0.014 0.000 1.043 194 E CA -0.446 55.932 56.400 -0.036 0.000 0.839 194 E CB 1.243 30.933 29.700 -0.016 0.000 1.069 194 E HN 0.536 nan 8.360 nan 0.000 0.399 195 V N 1.509 121.456 119.914 0.053 0.000 3.660 195 V HA 0.577 4.831 4.120 0.222 0.000 0.276 195 V C 0.304 176.442 176.094 0.074 0.000 1.317 195 V CA 0.424 62.765 62.300 0.069 0.000 1.097 195 V CB -0.080 31.794 31.823 0.086 0.000 0.863 195 V HN 0.548 nan 8.190 nan 0.000 0.438 196 A N 0.470 123.371 122.820 0.136 0.000 2.594 196 A HA 0.844 5.297 4.320 0.222 0.000 0.296 196 A C -0.762 177.019 177.584 0.329 0.000 1.061 196 A CA -0.741 51.399 52.037 0.173 0.000 0.689 196 A CB 1.737 20.770 19.000 0.054 0.000 1.280 196 A HN 0.392 nan 8.150 nan 0.000 0.406 197 R N 1.026 121.737 120.500 0.352 0.000 2.522 197 R HA 0.637 5.110 4.340 0.222 0.000 0.283 197 R C -1.614 174.918 176.300 0.387 0.000 1.074 197 R CA -0.366 55.904 56.100 0.284 0.000 0.925 197 R CB 1.244 31.606 30.300 0.103 0.000 1.205 197 R HN 1.294 nan 8.270 nan 0.000 0.436 198 W N 2.064 123.362 121.300 -0.004 0.000 2.961 198 W HA 0.604 5.405 4.660 0.235 0.000 0.368 198 W C -1.755 174.775 176.519 0.018 0.000 1.213 198 W CA -1.172 56.173 57.345 0.001 0.000 1.173 198 W CB 1.077 30.530 29.460 -0.012 0.000 1.487 198 W HN 0.309 nan 8.180 nan 0.000 0.585 199 R N 1.704 122.263 120.500 0.099 0.000 2.575 199 R HA 0.369 4.842 4.340 0.222 0.000 0.293 199 R C -0.763 175.620 176.300 0.138 0.000 0.983 199 R CA -0.811 55.282 56.100 -0.012 0.000 0.887 199 R CB 2.569 32.880 30.300 0.017 0.000 1.184 199 R HN 0.676 nan 8.270 nan 0.000 0.445 200 E N 1.664 121.921 120.200 0.096 0.000 2.339 200 E HA 0.390 4.873 4.350 0.222 0.000 0.262 200 E C -0.922 175.711 176.600 0.055 0.000 0.934 200 E CA -1.058 55.431 56.400 0.149 0.000 0.802 200 E CB 1.898 31.748 29.700 0.249 0.000 1.275 200 E HN 0.331 nan 8.360 nan 0.000 0.427 201 E N 0.342 120.555 120.200 0.022 0.000 2.277 201 E HA 0.446 4.929 4.350 0.222 0.000 0.274 201 E C -0.683 175.821 176.600 -0.160 0.000 1.022 201 E CA -0.754 55.604 56.400 -0.070 0.000 0.853 201 E CB 1.430 31.099 29.700 -0.052 0.000 1.086 201 E HN 0.242 nan 8.360 nan 0.000 0.397 202 R N 1.026 121.272 120.500 -0.423 0.000 2.535 202 R HA 0.213 4.686 4.340 0.222 0.000 0.274 202 R C -1.220 174.506 176.300 -0.956 0.000 1.090 202 R CA -0.403 55.360 56.100 -0.561 0.000 0.930 202 R CB 1.199 31.186 30.300 -0.521 0.000 1.223 202 R HN 0.638 nan 8.270 nan 0.000 0.441 203 T N 1.128 115.413 114.554 -0.449 0.000 2.944 203 T HA 0.498 4.981 4.350 0.222 0.000 0.284 203 T C -1.948 172.742 174.700 -0.017 0.000 1.010 203 T CA -2.022 59.922 62.100 -0.260 0.000 1.025 203 T CB 1.688 70.517 68.868 -0.065 0.000 1.079 203 T HN 0.359 nan 8.240 nan 0.000 0.516 204 P HA -0.036 nan 4.420 nan 0.000 0.216 204 P C 1.692 179.018 177.300 0.044 0.000 1.150 204 P CA 0.767 63.998 63.100 0.218 0.000 0.837 204 P CB 0.060 31.853 31.700 0.155 0.000 0.786 205 R N 0.571 121.098 120.500 0.044 0.000 2.083 205 R HA -0.193 4.280 4.340 0.222 0.000 0.237 205 R C 2.015 178.373 176.300 0.096 0.000 1.137 205 R CA 1.861 58.008 56.100 0.077 0.000 0.951 205 R CB -0.480 29.929 30.300 0.182 0.000 0.851 205 R HN 0.204 nan 8.270 nan 0.000 0.434 206 E N -0.173 120.074 120.200 0.077 0.000 2.058 206 E HA -0.203 4.280 4.350 0.222 0.000 0.194 206 E C 1.994 178.657 176.600 0.105 0.000 0.997 206 E CA 1.268 57.715 56.400 0.079 0.000 0.801 206 E CB -0.165 29.553 29.700 0.031 0.000 0.746 206 E HN 0.492 nan 8.360 nan 0.000 0.450 207 A N 1.166 124.063 122.820 0.128 0.000 1.898 207 A HA -0.139 4.314 4.320 0.222 0.000 0.216 207 A C 2.211 179.880 177.584 0.141 0.000 1.181 207 A CA 1.001 53.152 52.037 0.191 0.000 0.620 207 A CB -0.605 18.563 19.000 0.281 0.000 0.819 207 A HN 0.119 nan 8.150 nan 0.000 0.442 208 L N -0.680 120.561 121.223 0.030 0.000 2.083 208 L HA -0.209 4.264 4.340 0.222 0.000 0.209 208 L C 2.609 179.551 176.870 0.120 0.000 1.083 208 L CA 1.629 56.422 54.840 -0.079 0.000 0.752 208 L CB -0.475 41.209 42.059 -0.624 0.000 0.899 208 L HN 0.474 nan 8.230 nan 0.000 0.433 209 E N -0.096 120.212 120.200 0.180 0.000 2.051 209 E HA -0.230 4.253 4.350 0.222 0.000 0.192 209 E C 2.325 179.001 176.600 0.125 0.000 0.991 209 E CA 1.119 57.651 56.400 0.220 0.000 0.799 209 E CB -0.219 29.594 29.700 0.189 0.000 0.748 209 E HN 0.502 nan 8.360 nan 0.000 0.449 210 A N 1.220 124.087 122.820 0.078 0.000 1.948 210 A HA -0.204 4.250 4.320 0.222 0.000 0.220 210 A C 2.186 179.717 177.584 -0.089 0.000 1.177 210 A CA 1.231 53.241 52.037 -0.046 0.000 0.636 210 A CB -0.671 18.326 19.000 -0.004 0.000 0.815 210 A HN 0.142 nan 8.150 nan 0.000 0.449 211 L N -0.963 120.305 121.223 0.074 0.000 2.027 211 L HA -0.144 4.329 4.340 0.222 0.000 0.206 211 L C 2.892 179.872 176.870 0.183 0.000 1.074 211 L CA 1.476 56.349 54.840 0.054 0.000 0.745 211 L CB -0.518 41.600 42.059 0.099 0.000 0.898 211 L HN 0.328 nan 8.230 nan 0.000 0.433 212 S N -0.308 115.546 115.700 0.256 0.000 2.383 212 S HA -0.213 4.390 4.470 0.222 0.000 0.229 212 S C 1.688 176.459 174.600 0.285 0.000 1.030 212 S CA 1.355 59.761 58.200 0.343 0.000 1.002 212 S CB -0.223 63.169 63.200 0.320 0.000 0.829 212 S HN 0.438 nan 8.310 nan 0.000 0.467 213 E N 0.472 120.739 120.200 0.112 0.000 2.482 213 E HA 0.067 4.550 4.350 0.222 0.000 0.196 213 E C -0.102 176.447 176.600 -0.084 0.000 1.047 213 E CA -0.066 56.342 56.400 0.013 0.000 0.869 213 E CB 0.009 29.689 29.700 -0.033 0.000 0.836 213 E HN 0.329 nan 8.360 nan 0.000 0.520 214 R N 0.002 120.416 120.500 -0.143 0.000 3.267 214 R HA -0.213 4.261 4.340 0.222 0.000 0.254 214 R C 0.556 176.668 176.300 -0.313 0.000 0.993 214 R CA 0.127 56.040 56.100 -0.312 0.000 0.670 214 R CB -2.382 27.721 30.300 -0.328 0.000 1.125 214 R HN 0.285 nan 8.270 nan 0.000 0.434 215 L N -0.584 120.381 121.223 -0.430 0.000 2.270 215 L HA 0.014 4.487 4.340 0.222 0.000 0.210 215 L C 0.608 177.205 176.870 -0.454 0.000 1.104 215 L CA 0.958 55.522 54.840 -0.460 0.000 0.804 215 L CB -0.104 41.602 42.059 -0.588 0.000 0.937 215 L HN 0.170 nan 8.230 nan 0.000 0.450 216 Y N -0.199 119.944 120.300 -0.262 0.000 2.308 216 Y HA 0.077 4.767 4.550 0.233 0.000 0.329 216 Y C 1.730 177.448 175.900 -0.303 0.000 1.111 216 Y CA -0.641 57.301 58.100 -0.264 0.000 1.179 216 Y CB 1.033 39.233 38.460 -0.433 0.000 1.201 216 Y HN -0.055 nan 8.280 nan 0.000 0.483 217 S N 2.809 118.567 115.700 0.096 0.000 2.387 217 S HA -0.298 4.306 4.470 0.222 0.000 0.230 217 S C 1.688 176.329 174.600 0.067 0.000 1.035 217 S CA 1.693 59.950 58.200 0.096 0.000 1.014 217 S CB -1.113 62.238 63.200 0.250 0.000 0.836 217 S HN 0.723 nan 8.310 nan 0.000 0.466 218 F N 3.093 123.056 119.950 0.021 0.000 2.641 218 F HA 0.164 4.824 4.527 0.222 0.000 0.298 218 F C 1.929 177.700 175.800 -0.050 0.000 1.146 218 F CA 0.890 58.894 58.000 0.006 0.000 1.464 218 F CB -1.272 37.714 39.000 -0.023 0.000 1.101 218 F HN 0.364 nan 8.300 nan 0.000 0.585 219 T N -3.482 110.659 114.554 -0.688 0.000 3.023 219 T HA 0.136 4.619 4.350 0.222 0.000 0.253 219 T C 1.222 175.774 174.700 -0.246 0.000 1.038 219 T CA -0.035 61.662 62.100 -0.670 0.000 0.962 219 T CB -0.260 67.941 68.868 -1.111 0.000 1.018 219 T HN 0.510 nan 8.240 nan 0.000 0.521 220 Q N 0.716 120.417 119.800 -0.164 0.000 2.403 220 Q HA 0.320 4.793 4.340 0.222 0.000 0.203 220 Q C 2.099 178.099 176.000 -0.001 0.000 0.932 220 Q CA 0.387 56.132 55.803 -0.097 0.000 0.945 220 Q CB 0.171 28.859 28.738 -0.083 0.000 1.045 220 Q HN 0.647 nan 8.270 nan 0.000 0.511 221 G N 0.377 109.221 108.800 0.073 0.000 2.595 221 G HA2 0.099 4.192 3.960 0.222 0.000 0.213 221 G HA3 0.099 4.192 3.960 0.222 0.000 0.213 221 G C 0.604 175.578 174.900 0.123 0.000 1.141 221 G CA -0.277 44.888 45.100 0.109 0.000 0.806 221 G HN 0.090 nan 8.290 nan 0.000 0.530 222 L N 1.535 122.845 121.223 0.145 0.000 2.461 222 L HA 0.208 4.681 4.340 0.222 0.000 0.272 222 L C -2.039 174.826 176.870 -0.008 0.000 1.197 222 L CA -1.488 53.398 54.840 0.078 0.000 0.836 222 L CB 0.448 42.555 42.059 0.080 0.000 1.105 222 L HN -0.032 nan 8.230 nan 0.000 0.477 223 P HA -0.008 nan 4.420 nan 0.000 0.269 223 P C 0.412 177.675 177.300 -0.063 0.000 1.209 223 P CA -0.108 62.946 63.100 -0.077 0.000 0.776 223 P CB 0.685 32.308 31.700 -0.128 0.000 0.876 224 E N 4.689 124.880 120.200 -0.014 0.000 2.086 224 E HA -0.209 4.274 4.350 0.222 0.000 0.200 224 E C -0.826 175.791 176.600 0.028 0.000 1.012 224 E CA 2.497 58.914 56.400 0.029 0.000 0.812 224 E CB -1.874 27.840 29.700 0.023 0.000 0.743 224 E HN 0.427 nan 8.360 nan 0.000 0.453 225 P HA -0.086 nan 4.420 nan 0.000 0.220 225 P C 1.261 178.508 177.300 -0.089 0.000 1.148 225 P CA 0.911 63.984 63.100 -0.045 0.000 0.803 225 P CB 0.134 31.803 31.700 -0.050 0.000 0.782 226 V N -0.916 118.894 119.914 -0.173 0.000 2.379 226 V HA -0.247 4.006 4.120 0.222 0.000 0.245 226 V C 2.437 178.457 176.094 -0.123 0.000 1.044 226 V CA 1.673 63.809 62.300 -0.273 0.000 1.036 226 V CB -1.409 30.010 31.823 -0.673 0.000 0.664 226 V HN 0.288 nan 8.190 nan 0.000 0.453 227 H N 0.724 119.730 119.070 -0.108 0.000 2.352 227 H HA -0.192 4.496 4.556 0.220 0.000 0.299 227 H C 2.262 177.617 175.328 0.046 0.000 1.097 227 H CA 1.792 57.861 56.048 0.035 0.000 1.311 227 H CB 0.146 29.994 29.762 0.143 0.000 1.377 227 H HN 0.400 nan 8.280 nan 0.000 0.504 228 A N 1.627 124.435 122.820 -0.020 0.000 1.883 228 A HA -0.192 4.261 4.320 0.222 0.000 0.217 228 A C 2.581 180.107 177.584 -0.097 0.000 1.186 228 A CA 1.547 53.544 52.037 -0.067 0.000 0.624 228 A CB -0.531 18.459 19.000 -0.017 0.000 0.822 228 A HN 0.445 nan 8.150 nan 0.000 0.444 229 R N -0.623 119.816 120.500 -0.102 0.000 2.096 229 R HA 0.003 4.477 4.340 0.222 0.000 0.235 229 R C 0.893 177.094 176.300 -0.165 0.000 1.127 229 R CA 0.788 56.818 56.100 -0.117 0.000 0.968 229 R CB -0.653 29.580 30.300 -0.112 0.000 0.861 229 R HN 0.398 nan 8.270 nan 0.000 0.440 233 R N 1.256 121.685 120.500 -0.119 0.000 2.075 233 R HA -0.042 4.431 4.340 0.222 0.000 0.232 233 R C 2.353 178.580 176.300 -0.120 0.000 1.126 233 R CA 1.263 57.185 56.100 -0.297 0.000 0.963 233 R CB -0.068 29.750 30.300 -0.802 0.000 0.858 233 R HN 0.063 nan 8.270 nan 0.000 0.435 234 L N -0.214 121.031 121.223 0.037 0.000 2.046 234 L HA -0.122 4.351 4.340 0.222 0.000 0.208 234 L C 1.607 178.669 176.870 0.320 0.000 1.077 234 L CA 1.747 56.793 54.840 0.344 0.000 0.747 234 L CB -0.567 41.686 42.059 0.323 0.000 0.896 234 L HN 0.244 nan 8.230 nan 0.000 0.432 235 W N -0.524 120.888 121.300 0.187 0.000 2.342 235 W HA -0.210 4.598 4.660 0.246 0.000 0.297 235 W C 2.530 179.140 176.519 0.151 0.000 1.213 235 W CA 2.068 59.510 57.345 0.160 0.000 1.251 235 W CB -0.439 29.075 29.460 0.090 0.000 1.136 235 W HN 0.281 nan 8.180 nan 0.000 0.526 236 A N -1.430 121.599 122.820 0.349 0.000 1.929 236 A HA -0.196 4.257 4.320 0.222 0.000 0.216 236 A C 1.563 179.288 177.584 0.234 0.000 1.176 236 A CA 1.308 53.486 52.037 0.236 0.000 0.628 236 A CB -1.409 17.682 19.000 0.150 0.000 0.816 236 A HN 0.505 nan 8.150 nan 0.000 0.444 237 W N 0.757 122.133 121.300 0.127 0.000 2.388 237 W HA -0.057 4.692 4.660 0.149 0.000 0.294 237 W C 2.296 178.873 176.519 0.097 0.000 1.212 237 W CA 1.942 59.375 57.345 0.148 0.000 1.271 237 W CB -0.031 29.605 29.460 0.294 0.000 1.126 237 W HN 0.326 nan 8.180 nan 0.000 0.535 238 A N 0.229 123.204 122.820 0.258 0.000 1.930 238 A HA -0.182 4.271 4.320 0.222 0.000 0.217 238 A C 1.733 179.263 177.584 -0.089 0.000 1.175 238 A CA 1.849 53.893 52.037 0.012 0.000 0.627 238 A CB -0.758 18.277 19.000 0.058 0.000 0.815 238 A HN 0.443 nan 8.150 nan 0.000 0.443 239 E N -0.292 119.921 120.200 0.022 0.000 2.150 239 E HA -0.043 4.441 4.350 0.222 0.000 0.193 239 E C 2.114 178.681 176.600 -0.056 0.000 0.985 239 E CA 1.038 57.458 56.400 0.033 0.000 0.814 239 E CB -0.201 29.569 29.700 0.116 0.000 0.752 239 E HN 0.627 nan 8.360 nan 0.000 0.466 240 A N 0.610 123.354 122.820 -0.127 0.000 1.975 240 A HA -0.056 4.397 4.320 0.222 0.000 0.215 240 A C 1.650 179.055 177.584 -0.299 0.000 1.170 240 A CA 0.822 52.752 52.037 -0.177 0.000 0.656 240 A CB 0.203 19.111 19.000 -0.153 0.000 0.821 240 A HN 0.005 nan 8.150 nan 0.000 0.449 241 E N -0.873 119.010 120.200 -0.528 0.000 2.490 241 E HA 0.248 4.731 4.350 0.222 0.000 0.209 241 E C 0.896 177.246 176.600 -0.416 0.000 0.971 241 E CA 0.116 56.157 56.400 -0.599 0.000 0.988 241 E CB 0.405 29.395 29.700 -1.183 0.000 1.029 241 E HN 0.548 nan 8.360 nan 0.000 0.496 242 L N 0.250 121.289 121.223 -0.307 0.000 2.769 242 L HA 0.272 4.745 4.340 0.222 0.000 0.240 242 L C 1.020 177.858 176.870 -0.053 0.000 1.163 242 L CA 0.065 54.817 54.840 -0.145 0.000 0.962 242 L CB 0.137 42.148 42.059 -0.079 0.000 1.258 242 L HN 0.092 nan 8.230 nan 0.000 0.513 243 G N 0.868 109.632 108.800 -0.060 0.000 2.601 243 G HA2 -0.349 3.744 3.960 0.222 0.000 0.261 243 G HA3 -0.349 3.744 3.960 0.222 0.000 0.261 243 G C -0.107 174.804 174.900 0.018 0.000 1.289 243 G CA -0.093 44.998 45.100 -0.015 0.000 0.920 243 G HN 0.343 nan 8.290 nan 0.000 0.571 244 D N 0.912 121.332 120.400 0.034 0.000 2.479 244 D HA 0.110 4.883 4.640 0.222 0.000 0.257 244 D C 1.907 178.249 176.300 0.070 0.000 1.230 244 D CA 0.238 54.269 54.000 0.051 0.000 0.912 244 D CB -0.049 40.780 40.800 0.048 0.000 1.130 244 D HN 0.449 nan 8.370 nan 0.000 0.515 245 L N 2.706 123.979 121.223 0.082 0.000 2.549 245 L HA -0.068 4.405 4.340 0.222 0.000 0.229 245 L C 1.141 178.069 176.870 0.096 0.000 1.158 245 L CA 0.615 55.513 54.840 0.096 0.000 0.842 245 L CB -0.049 42.087 42.059 0.127 0.000 0.952 245 L HN 0.320 nan 8.230 nan 0.000 0.452 246 D N -0.264 120.185 120.400 0.081 0.000 2.398 246 D HA 0.045 4.818 4.640 0.222 0.000 0.210 246 D C 0.768 177.093 176.300 0.041 0.000 1.094 246 D CA 0.048 54.085 54.000 0.061 0.000 0.839 246 D CB 0.467 41.304 40.800 0.061 0.000 0.963 246 D HN 0.193 nan 8.370 nan 0.000 0.506 247 R N 2.624 123.157 120.500 0.054 0.000 2.265 247 R HA 0.213 4.686 4.340 0.222 0.000 0.314 247 R C -2.559 173.768 176.300 0.044 0.000 1.053 247 R CA -1.154 54.977 56.100 0.052 0.000 0.931 247 R CB 1.013 31.354 30.300 0.068 0.000 1.024 247 R HN -0.162 nan 8.270 nan 0.000 0.457 248 P HA 0.111 nan 4.420 nan 0.000 0.278 248 P C -1.261 176.049 177.300 0.016 0.000 1.238 248 P CA -0.137 62.909 63.100 -0.089 0.000 0.794 248 P CB 0.587 32.241 31.700 -0.078 0.000 0.955 249 F N 1.218 121.193 119.950 0.041 0.000 2.598 249 F HA 0.817 5.550 4.527 0.344 0.000 0.327 249 F C -2.797 173.026 175.800 0.038 0.000 1.057 249 F CA -3.496 54.527 58.000 0.037 0.000 0.957 249 F CB 0.394 39.419 39.000 0.041 0.000 1.278 249 F HN 0.085 nan 8.300 nan 0.000 0.484 250 P HA 0.400 nan 4.420 nan 0.000 0.286 250 P C -1.287 176.179 177.300 0.278 0.000 1.261 250 P CA -0.456 62.764 63.100 0.200 0.000 0.821 250 P CB 2.340 34.111 31.700 0.119 0.000 1.013 251 V N 2.142 122.144 119.914 0.147 0.000 2.447 251 V HA 0.246 4.499 4.120 0.222 0.000 0.292 251 V C 0.195 176.261 176.094 -0.047 0.000 1.021 251 V CA -0.596 61.774 62.300 0.116 0.000 0.850 251 V CB 1.414 33.333 31.823 0.161 0.000 1.005 251 V HN 0.590 nan 8.190 nan 0.000 0.426 252 E N 4.738 124.884 120.200 -0.090 0.000 2.259 252 E HA 0.542 5.025 4.350 0.222 0.000 0.281 252 E C -0.751 175.661 176.600 -0.314 0.000 1.027 252 E CA -0.423 55.856 56.400 -0.201 0.000 0.838 252 E CB 1.046 30.668 29.700 -0.130 0.000 1.066 252 E HN 0.612 nan 8.360 nan 0.000 0.401 253 K N 2.777 122.813 120.400 -0.606 0.000 2.480 253 K HA 0.529 4.982 4.320 0.222 0.000 0.258 253 K C -0.898 175.244 176.600 -0.763 0.000 0.990 253 K CA -0.968 54.875 56.287 -0.740 0.000 0.857 253 K CB 2.096 33.906 32.500 -1.150 0.000 1.384 253 K HN 0.554 nan 8.250 nan 0.000 0.446 254 R N 0.380 120.628 120.500 -0.420 0.000 2.739 254 R HA 0.487 4.960 4.340 0.222 0.000 0.271 254 R C -1.771 174.611 176.300 0.138 0.000 1.010 254 R CA -0.802 55.244 56.100 -0.090 0.000 0.897 254 R CB 1.088 31.354 30.300 -0.056 0.000 1.236 254 R HN 0.504 nan 8.270 nan 0.000 0.466 255 F N 2.710 122.737 119.950 0.129 0.000 2.467 255 F HA 0.453 5.112 4.527 0.220 0.000 0.336 255 F C -1.168 174.527 175.800 -0.175 0.000 1.123 255 F CA -1.093 56.920 58.000 0.022 0.000 0.964 255 F CB 1.542 40.575 39.000 0.055 0.000 1.136 255 F HN 0.291 nan 8.300 nan 0.000 0.447 256 L N 6.613 127.310 121.223 -0.877 0.000 2.309 256 L HA 0.486 4.959 4.340 0.222 0.000 0.282 256 L C -0.942 175.354 176.870 -0.956 0.000 1.036 256 L CA -0.912 53.370 54.840 -0.930 0.000 0.806 256 L CB 1.296 42.485 42.059 -1.450 0.000 1.220 256 L HN 0.580 nan 8.230 nan 0.000 0.429 257 L N 4.473 125.426 121.223 -0.450 0.000 2.343 257 L HA 0.483 4.956 4.340 0.222 0.000 0.278 257 L C -0.247 176.541 176.870 -0.136 0.000 0.996 257 L CA -0.263 54.455 54.840 -0.203 0.000 0.831 257 L CB 1.241 43.313 42.059 0.021 0.000 1.232 257 L HN 0.606 nan 8.230 nan 0.000 0.413 258 R N 4.441 124.917 120.500 -0.041 0.000 2.246 258 R HA 0.683 5.156 4.340 0.222 0.000 0.332 258 R C -1.641 174.733 176.300 0.122 0.000 0.974 258 R CA -0.535 55.621 56.100 0.092 0.000 0.837 258 R CB 1.140 31.605 30.300 0.276 0.000 1.145 258 R HN 0.530 nan 8.270 nan 0.000 0.467 259 V N 3.596 123.561 119.914 0.086 0.000 2.370 259 V HA 0.348 4.601 4.120 0.222 0.000 0.283 259 V C -0.306 175.829 176.094 0.068 0.000 1.023 259 V CA -0.522 61.823 62.300 0.075 0.000 0.857 259 V CB 1.627 33.479 31.823 0.048 0.000 0.985 259 V HN 0.758 nan 8.190 nan 0.000 0.443 260 S N 4.337 120.081 115.700 0.073 0.000 2.473 260 S HA 0.735 5.338 4.470 0.222 0.000 0.307 260 S C -0.352 174.270 174.600 0.037 0.000 1.094 260 S CA -0.715 57.522 58.200 0.062 0.000 1.070 260 S CB 1.720 64.970 63.200 0.084 0.000 1.019 260 S HN 0.753 nan 8.310 nan 0.000 0.480 261 R N 2.241 122.755 120.500 0.023 0.000 2.637 261 R HA 0.678 5.151 4.340 0.222 0.000 0.291 261 R C -1.207 175.101 176.300 0.014 0.000 0.963 261 R CA -0.510 55.592 56.100 0.003 0.000 0.901 261 R CB 0.406 30.701 30.300 -0.008 0.000 1.160 261 R HN 0.467 nan 8.270 nan 0.000 0.457 262 L N 0.000 121.228 121.223 0.009 0.000 2.949 262 L HA 0.000 4.473 4.340 0.222 0.000 0.249 262 L CA 0.000 54.849 54.840 0.015 0.000 0.813 262 L CB 0.000 42.066 42.059 0.011 0.000 0.961 262 L HN 0.000 nan 8.230 nan 0.000 0.502