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 3bf0_1_D DATA FIRST_RESID 56 DATA SEQUENCE RGALLLDISG VIVDKPDSXX XXXXXXXXXX XXXXXXLQEN SLFDIVNTIR DATA SEQUENCE QAKDDRNITG IVMDLKNFAG GDQPSMQYIG KALKEFRDSG KPVYAVGENY DATA SEQUENCE SQGQYYLASF ANKIWLSPQG VVDLHGFATN GLYYKSLLDK LKVSTHVFRV DATA SEQUENCE GTYKSAVEPF IRDDMSPAAR EADSRWIGEL WQNYLNTVAA NRQIPAEQVF DATA SEQUENCE PGAQGLLEGL TKTGGDTAKY ALENKLVDAL ASSAEIEKAL TKEFGWSKTD DATA SEQUENCE KNYRAISYYD YALKTPADTG DSIGVVFANG AIMDGEETQG NVGGDTTAAQ DATA SEQUENCE IRDARLDPKV KAIVLRVNSP GGSVTASEVI RAELAAARAA GKPVVVSMGG DATA SEQUENCE MAASGGYWIS TPANYIVANP STLTGSIGIF GVITTVENSL DSIGVHTDGV DATA SEQUENCE STSPLADVSI TRALPPEAQL MMQLSIENGY KRFITLVADA RHSTPEQIDK DATA SEQUENCE IAQGHVWTGQ DAKANGLVDS LGDFDDAVAK AAELAKVKQW HLEY 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 56 R HA 0.000 nan 4.340 nan 0.000 0.208 56 R C 0.000 176.375 176.300 0.125 0.000 0.893 56 R CA 0.000 56.160 56.100 0.100 0.000 0.921 56 R CB 0.000 30.361 30.300 0.101 0.000 0.687 57 G N 0.133 108.993 108.800 0.101 0.000 2.887 57 G HA2 0.748 4.702 3.960 -0.009 0.000 0.277 57 G HA3 0.748 4.702 3.960 -0.009 0.000 0.277 57 G C -0.363 174.571 174.900 0.058 0.000 1.346 57 G CA -0.292 44.857 45.100 0.082 0.000 1.058 57 G HN 0.351 nan 8.290 nan 0.000 0.535 58 A N -1.064 121.631 122.820 -0.208 0.000 2.366 58 A HA 0.533 4.848 4.320 -0.009 0.000 0.249 58 A C -0.302 177.144 177.584 -0.229 0.000 1.084 58 A CA -0.260 51.512 52.037 -0.442 0.000 0.794 58 A CB 0.721 19.035 19.000 -1.143 0.000 1.034 58 A HN 0.980 nan 8.150 nan 0.000 0.491 59 L N 1.761 122.859 121.223 -0.208 0.000 2.265 59 L HA 0.490 4.824 4.340 -0.009 0.000 0.288 59 L C -0.596 176.147 176.870 -0.212 0.000 1.058 59 L CA -0.368 54.312 54.840 -0.268 0.000 0.809 59 L CB 0.920 42.745 42.059 -0.391 0.000 1.179 59 L HN 0.575 nan 8.230 nan 0.000 0.429 60 L N 6.612 127.741 121.223 -0.157 0.000 2.268 60 L HA 0.343 4.678 4.340 -0.009 0.000 0.289 60 L C -0.432 176.393 176.870 -0.075 0.000 1.064 60 L CA 0.232 55.021 54.840 -0.086 0.000 0.824 60 L CB 0.398 42.423 42.059 -0.056 0.000 1.202 60 L HN 0.595 nan 8.230 nan 0.000 0.433 61 L N 5.480 126.636 121.223 -0.111 0.000 2.480 61 L HA 0.192 4.527 4.340 -0.009 0.000 0.243 61 L C 0.007 176.823 176.870 -0.090 0.000 1.315 61 L CA -0.327 54.410 54.840 -0.171 0.000 1.231 61 L CB -0.395 41.505 42.059 -0.265 0.000 1.444 61 L HN 0.642 nan 8.230 nan 0.000 0.409 62 D N 1.436 121.844 120.400 0.013 0.000 2.896 62 D HA 0.068 4.703 4.640 -0.009 0.000 0.240 62 D C 0.391 176.820 176.300 0.215 0.000 1.193 62 D CA -0.496 53.569 54.000 0.108 0.000 0.983 62 D CB 0.210 41.095 40.800 0.141 0.000 1.074 62 D HN 0.039 nan 8.370 nan 0.000 0.496 63 I N 0.692 121.306 120.570 0.074 0.000 2.598 63 I HA 0.047 4.212 4.170 -0.009 0.000 0.284 63 I C 0.696 176.989 176.117 0.293 0.000 1.140 63 I CA -0.015 61.369 61.300 0.140 0.000 1.420 63 I CB 0.424 38.326 38.000 -0.164 0.000 1.387 63 I HN 0.151 nan 8.210 nan 0.000 0.553 64 S N 4.252 120.177 115.700 0.375 0.000 2.498 64 S HA 0.781 5.245 4.470 -0.009 0.000 0.317 64 S C 0.090 174.828 174.600 0.231 0.000 1.090 64 S CA 0.391 58.742 58.200 0.252 0.000 1.089 64 S CB 0.881 64.153 63.200 0.120 0.000 0.997 64 S HN 1.198 nan 8.310 nan 0.000 0.470 65 G N 2.556 111.480 108.800 0.208 0.000 2.378 65 G HA2 -0.025 3.929 3.960 -0.009 0.000 0.198 65 G HA3 -0.025 3.929 3.960 -0.009 0.000 0.198 65 G C -0.499 174.475 174.900 0.124 0.000 1.223 65 G CA -0.270 44.910 45.100 0.133 0.000 1.088 65 G HN 1.785 nan 8.290 nan 0.000 0.530 66 V N -1.338 118.629 119.914 0.088 0.000 3.093 66 V HA 0.866 4.980 4.120 -0.009 0.000 0.320 66 V C 0.518 176.702 176.094 0.151 0.000 1.093 66 V CA -1.392 60.939 62.300 0.051 0.000 1.016 66 V CB 1.670 33.489 31.823 -0.006 0.000 1.096 66 V HN 0.952 nan 8.190 nan 0.000 0.452 67 I N 3.234 123.898 120.570 0.157 0.000 2.353 67 I HA 0.671 4.836 4.170 -0.009 0.000 0.293 67 I C 0.035 176.188 176.117 0.060 0.000 0.992 67 I CA -0.274 61.104 61.300 0.131 0.000 1.268 67 I CB 1.163 39.259 38.000 0.160 0.000 1.387 67 I HN 0.834 nan 8.210 nan 0.000 0.478 68 V N 2.183 122.121 119.914 0.039 0.000 3.049 68 V HA 0.547 4.662 4.120 -0.009 0.000 0.309 68 V C 0.337 176.440 176.094 0.015 0.000 1.148 68 V CA -0.731 61.581 62.300 0.021 0.000 0.990 68 V CB 2.174 34.004 31.823 0.012 0.000 1.039 68 V HN 0.556 nan 8.190 nan 0.000 0.430 69 D N 0.776 121.197 120.400 0.035 0.000 2.123 69 D HA -0.015 4.619 4.640 -0.009 0.000 0.196 69 D C 0.676 176.889 176.300 -0.146 0.000 0.992 69 D CA 1.915 55.984 54.000 0.115 0.000 0.833 69 D CB 0.192 41.122 40.800 0.216 0.000 0.954 69 D HN 0.687 nan 8.370 nan 0.000 0.455 70 K N 0.101 120.352 120.400 -0.248 0.000 2.652 70 K HA 0.281 4.595 4.320 -0.009 0.000 0.249 70 K C -2.943 173.564 176.600 -0.155 0.000 0.986 70 K CA -1.667 54.393 56.287 -0.379 0.000 0.867 70 K CB 2.166 34.262 32.500 -0.673 0.000 1.201 70 K HN -0.240 nan 8.250 nan 0.000 0.450 71 P HA 0.020 nan 4.420 nan 0.000 0.267 71 P C -0.906 176.376 177.300 -0.029 0.000 1.205 71 P CA -0.113 62.972 63.100 -0.025 0.000 0.765 71 P CB 0.503 32.211 31.700 0.013 0.000 0.828 72 D N 2.182 122.574 120.400 -0.013 0.000 2.522 72 D HA 0.118 4.753 4.640 -0.009 0.000 0.218 72 D C 0.224 176.524 176.300 0.000 0.000 1.149 72 D CA 0.219 54.213 54.000 -0.010 0.000 0.981 72 D CB 0.007 40.804 40.800 -0.006 0.000 1.041 72 D HN 0.159 nan 8.370 nan 0.000 0.518 93 Q N -1.046 118.799 119.800 0.075 0.000 7.952 93 Q HA -0.056 4.278 4.340 -0.009 0.000 0.369 93 Q C -0.620 175.428 176.000 0.080 0.000 0.944 93 Q CA 0.983 56.824 55.803 0.063 0.000 0.540 93 Q CB -0.778 27.979 28.738 0.032 0.000 0.156 93 Q HN 0.713 nan 8.270 nan 0.000 0.899 94 E N 1.836 122.084 120.200 0.081 0.000 2.073 94 E HA 0.397 4.741 4.350 -0.009 0.000 0.269 94 E C -1.159 175.513 176.600 0.121 0.000 0.917 94 E CA -0.542 55.907 56.400 0.081 0.000 0.757 94 E CB 0.947 30.676 29.700 0.048 0.000 1.111 94 E HN 0.232 nan 8.360 nan 0.000 0.410 95 N N 1.506 120.293 118.700 0.144 0.000 2.405 95 N HA 0.102 4.837 4.740 -0.009 0.000 0.299 95 N C -0.570 175.005 175.510 0.108 0.000 1.075 95 N CA -0.351 52.802 53.050 0.171 0.000 0.884 95 N CB 1.984 40.583 38.487 0.186 0.000 1.194 95 N HN 0.238 nan 8.380 nan 0.000 0.491 96 S N 1.784 117.557 115.700 0.121 0.000 2.474 96 S HA 0.064 4.528 4.470 -0.009 0.000 0.276 96 S C 1.401 176.026 174.600 0.042 0.000 1.227 96 S CA -0.687 57.572 58.200 0.098 0.000 1.050 96 S CB 0.314 63.599 63.200 0.141 0.000 0.939 96 S HN 0.492 nan 8.310 nan 0.000 0.490 97 L N 6.305 127.494 121.223 -0.056 0.000 2.051 97 L HA -0.063 4.272 4.340 -0.009 0.000 0.214 97 L C 1.424 178.104 176.870 -0.316 0.000 1.076 97 L CA 2.183 56.862 54.840 -0.269 0.000 0.758 97 L CB -1.081 40.657 42.059 -0.535 0.000 0.890 97 L HN 0.834 nan 8.230 nan 0.000 0.433 98 F N -0.519 119.480 119.950 0.082 0.000 2.149 98 F HA -0.096 4.426 4.527 -0.009 0.000 0.294 98 F C 2.391 178.261 175.800 0.118 0.000 1.095 98 F CA 1.180 59.253 58.000 0.122 0.000 1.276 98 F CB -0.892 38.172 39.000 0.106 0.000 1.023 98 F HN 0.080 nan 8.300 nan 0.000 0.480 99 D N 0.771 121.335 120.400 0.273 0.000 2.133 99 D HA -0.185 4.449 4.640 -0.009 0.000 0.195 99 D C 2.398 178.823 176.300 0.209 0.000 0.997 99 D CA 1.439 55.583 54.000 0.239 0.000 0.840 99 D CB -0.447 40.502 40.800 0.249 0.000 0.947 99 D HN 0.251 nan 8.370 nan 0.000 0.452 100 I N 0.495 121.103 120.570 0.063 0.000 2.113 100 I HA -0.250 3.914 4.170 -0.009 0.000 0.238 100 I C 2.545 178.583 176.117 -0.132 0.000 1.070 100 I CA 0.735 61.943 61.300 -0.153 0.000 1.332 100 I CB -0.328 37.466 38.000 -0.344 0.000 1.044 100 I HN -0.118 nan 8.210 nan 0.000 0.402 101 V N 1.328 121.144 119.914 -0.163 0.000 2.392 101 V HA -0.273 3.841 4.120 -0.009 0.000 0.249 101 V C 2.007 178.068 176.094 -0.056 0.000 1.059 101 V CA 1.934 64.101 62.300 -0.222 0.000 1.051 101 V CB -0.846 30.704 31.823 -0.455 0.000 0.658 101 V HN 0.464 nan 8.190 nan 0.000 0.455 102 N N -0.483 118.260 118.700 0.073 0.000 2.409 102 N HA -0.078 4.657 4.740 -0.009 0.000 0.179 102 N C 1.827 177.422 175.510 0.141 0.000 1.032 102 N CA 1.379 54.512 53.050 0.138 0.000 0.898 102 N CB -0.218 38.394 38.487 0.209 0.000 0.971 102 N HN 0.430 nan 8.380 nan 0.000 0.441 103 T N 1.154 115.798 114.554 0.150 0.000 2.937 103 T HA 0.176 4.521 4.350 -0.009 0.000 0.260 103 T C 2.062 176.836 174.700 0.123 0.000 1.051 103 T CA 0.255 62.483 62.100 0.214 0.000 1.141 103 T CB 0.128 69.188 68.868 0.320 0.000 0.879 103 T HN 0.123 nan 8.240 nan 0.000 0.459 104 I N 0.963 121.533 120.570 0.000 0.000 2.179 104 I HA -0.176 3.988 4.170 -0.009 0.000 0.242 104 I C 2.730 178.901 176.117 0.091 0.000 1.088 104 I CA 1.339 62.596 61.300 -0.073 0.000 1.357 104 I CB -0.329 37.559 38.000 -0.187 0.000 1.051 104 I HN 0.110 nan 8.210 nan 0.000 0.409 105 R N 0.407 120.961 120.500 0.089 0.000 2.083 105 R HA -0.253 4.081 4.340 -0.009 0.000 0.237 105 R C 2.325 178.718 176.300 0.155 0.000 1.137 105 R CA 1.783 57.958 56.100 0.126 0.000 0.951 105 R CB -0.534 29.822 30.300 0.092 0.000 0.851 105 R HN 0.461 nan 8.270 nan 0.000 0.434 106 Q N 0.702 120.602 119.800 0.167 0.000 2.112 106 Q HA -0.184 4.151 4.340 -0.009 0.000 0.206 106 Q C 1.904 178.054 176.000 0.249 0.000 0.987 106 Q CA 1.955 57.876 55.803 0.196 0.000 0.858 106 Q CB -0.129 28.745 28.738 0.227 0.000 0.905 106 Q HN 0.404 nan 8.270 nan 0.000 0.420 107 A N 0.468 123.449 122.820 0.268 0.000 2.119 107 A HA -0.121 4.193 4.320 -0.009 0.000 0.217 107 A C 1.921 179.754 177.584 0.414 0.000 1.153 107 A CA 1.199 53.405 52.037 0.281 0.000 0.692 107 A CB -0.380 18.655 19.000 0.059 0.000 0.799 107 A HN 0.403 nan 8.150 nan 0.000 0.458 108 K N -0.180 120.429 120.400 0.349 0.000 2.062 108 K HA -0.129 4.186 4.320 -0.009 0.000 0.205 108 K C 0.399 177.000 176.600 0.002 0.000 1.051 108 K CA 1.545 57.882 56.287 0.084 0.000 0.941 108 K CB -0.015 32.546 32.500 0.101 0.000 0.719 108 K HN 0.330 nan 8.250 nan 0.000 0.440 109 D N 0.647 121.089 120.400 0.070 0.000 2.339 109 D HA -0.038 4.597 4.640 -0.009 0.000 0.217 109 D C -0.320 176.020 176.300 0.067 0.000 1.050 109 D CA 0.331 54.359 54.000 0.046 0.000 0.856 109 D CB 0.127 40.958 40.800 0.050 0.000 0.922 109 D HN 0.180 nan 8.370 nan 0.000 0.518 110 D N 1.291 121.758 120.400 0.112 0.000 2.313 110 D HA 0.013 4.647 4.640 -0.009 0.000 0.239 110 D C 1.453 177.819 176.300 0.110 0.000 1.142 110 D CA -0.420 53.658 54.000 0.131 0.000 0.847 110 D CB 0.883 41.817 40.800 0.223 0.000 1.082 110 D HN -0.027 nan 8.370 nan 0.000 0.480 111 R N 3.391 123.939 120.500 0.081 0.000 2.328 111 R HA -0.057 4.277 4.340 -0.009 0.000 0.207 111 R C -0.050 176.304 176.300 0.090 0.000 1.056 111 R CA 0.504 56.644 56.100 0.067 0.000 1.016 111 R CB -0.085 30.243 30.300 0.047 0.000 0.872 111 R HN 0.193 nan 8.270 nan 0.000 0.471 112 N N 0.406 119.174 118.700 0.114 0.000 2.467 112 N HA 0.067 4.801 4.740 -0.009 0.000 0.184 112 N C -0.368 175.230 175.510 0.147 0.000 1.106 112 N CA 0.529 53.655 53.050 0.126 0.000 0.892 112 N CB 0.285 38.855 38.487 0.137 0.000 0.969 112 N HN 0.155 nan 8.380 nan 0.000 0.454 113 I N 0.602 121.269 120.570 0.161 0.000 2.389 113 I HA 0.151 4.315 4.170 -0.009 0.000 0.288 113 I C 1.075 177.327 176.117 0.225 0.000 0.999 113 I CA -0.157 61.249 61.300 0.176 0.000 1.129 113 I CB 1.174 39.272 38.000 0.164 0.000 1.288 113 I HN -0.076 nan 8.210 nan 0.000 0.444 114 T N 1.391 116.122 114.554 0.294 0.000 3.022 114 T HA 0.489 4.833 4.350 -0.009 0.000 0.250 114 T C 0.745 175.717 174.700 0.452 0.000 1.060 114 T CA 0.060 62.350 62.100 0.317 0.000 1.013 114 T CB 0.766 69.824 68.868 0.317 0.000 0.982 114 T HN 0.719 nan 8.240 nan 0.000 0.508 115 G N 0.290 109.479 108.800 0.648 0.000 2.488 115 G HA2 0.601 4.556 3.960 -0.009 0.000 0.301 115 G HA3 0.601 4.556 3.960 -0.009 0.000 0.301 115 G C -2.167 172.996 174.900 0.439 0.000 1.339 115 G CA -1.008 44.537 45.100 0.742 0.000 0.803 115 G HN 0.271 nan 8.290 nan 0.000 0.482 116 I N 0.035 120.756 120.570 0.253 0.000 2.509 116 I HA 0.540 4.704 4.170 -0.009 0.000 0.293 116 I C -0.571 175.611 176.117 0.109 0.000 1.020 116 I CA -1.100 60.150 61.300 -0.084 0.000 1.088 116 I CB 2.417 40.143 38.000 -0.456 0.000 1.267 116 I HN 0.211 nan 8.210 nan 0.000 0.430 117 V N 6.615 126.549 119.914 0.032 0.000 2.448 117 V HA 0.439 4.554 4.120 -0.009 0.000 0.295 117 V C -0.134 175.996 176.094 0.060 0.000 1.025 117 V CA -0.531 61.851 62.300 0.136 0.000 0.859 117 V CB 1.748 33.641 31.823 0.118 0.000 0.988 117 V HN 0.641 nan 8.190 nan 0.000 0.431 118 M N 4.370 124.031 119.600 0.103 0.000 2.129 118 M HA 0.423 4.898 4.480 -0.009 0.000 0.348 118 M C -0.921 175.453 176.300 0.124 0.000 1.116 118 M CA -0.195 55.140 55.300 0.059 0.000 1.022 118 M CB 1.135 33.764 32.600 0.049 0.000 1.599 118 M HN 0.577 nan 8.290 nan 0.000 0.449 119 D N 4.833 125.284 120.400 0.083 0.000 2.462 119 D HA 0.329 4.963 4.640 -0.009 0.000 0.245 119 D C -0.602 175.755 176.300 0.095 0.000 1.122 119 D CA -0.226 53.836 54.000 0.103 0.000 0.864 119 D CB 0.981 41.836 40.800 0.092 0.000 1.098 119 D HN 0.612 nan 8.370 nan 0.000 0.541 120 L N 4.424 125.724 121.223 0.128 0.000 3.110 120 L HA 0.174 4.509 4.340 -0.009 0.000 0.266 120 L C 2.148 179.149 176.870 0.218 0.000 1.257 120 L CA -0.290 54.657 54.840 0.178 0.000 1.038 120 L CB 0.283 42.476 42.059 0.224 0.000 1.395 120 L HN 0.315 nan 8.230 nan 0.000 0.566 121 K N -0.650 119.830 120.400 0.134 0.000 2.288 121 K HA -0.092 4.222 4.320 -0.009 0.000 0.201 121 K C 0.542 177.217 176.600 0.125 0.000 1.048 121 K CA 1.347 57.695 56.287 0.101 0.000 0.956 121 K CB -0.058 32.472 32.500 0.049 0.000 0.746 121 K HN 0.369 nan 8.250 nan 0.000 0.461 122 N N 0.041 118.835 118.700 0.155 0.000 2.273 122 N HA 0.092 4.827 4.740 -0.009 0.000 0.231 122 N C -1.311 174.333 175.510 0.222 0.000 1.134 122 N CA -0.510 52.629 53.050 0.148 0.000 0.856 122 N CB 0.271 38.829 38.487 0.118 0.000 1.068 122 N HN 0.054 nan 8.380 nan 0.000 0.510 123 F N 1.519 121.518 119.950 0.082 0.000 2.371 123 F HA 0.486 5.008 4.527 -0.008 0.000 0.363 123 F C 0.728 176.583 175.800 0.092 0.000 1.122 123 F CA -1.270 56.783 58.000 0.089 0.000 1.129 123 F CB 0.727 39.787 39.000 0.099 0.000 1.173 123 F HN -0.060 nan 8.300 nan 0.000 0.489 124 A N 4.418 127.042 122.820 -0.325 0.000 2.307 124 A HA 0.599 4.914 4.320 -0.009 0.000 0.218 124 A C 0.951 178.230 177.584 -0.509 0.000 1.228 124 A CA 0.447 52.299 52.037 -0.309 0.000 0.857 124 A CB -1.155 17.769 19.000 -0.125 0.000 0.897 124 A HN 1.613 nan 8.150 nan 0.000 0.495 125 G N -2.670 105.435 108.800 -1.158 0.000 2.497 125 G HA2 0.497 4.452 3.960 -0.009 0.000 0.686 125 G HA3 0.497 4.452 3.960 -0.009 0.000 0.686 125 G C -0.202 174.469 174.900 -0.382 0.000 1.288 125 G CA -0.378 44.258 45.100 -0.772 0.000 0.899 125 G HN 1.542 nan 8.290 nan 0.000 0.608 126 G N -0.567 108.177 108.800 -0.095 0.000 2.695 126 G HA2 0.813 4.768 3.960 -0.009 0.000 0.290 126 G HA3 0.813 4.768 3.960 -0.009 0.000 0.290 126 G C -0.551 174.351 174.900 0.004 0.000 1.410 126 G CA 0.503 45.623 45.100 0.033 0.000 0.844 126 G HN 1.461 nan 8.290 nan 0.000 0.478 127 D N -1.033 119.369 120.400 0.003 0.000 2.357 127 D HA 0.142 4.777 4.640 -0.009 0.000 0.242 127 D C 1.356 177.647 176.300 -0.015 0.000 1.153 127 D CA -0.332 53.659 54.000 -0.015 0.000 0.918 127 D CB 1.199 41.995 40.800 -0.005 0.000 1.181 127 D HN 0.519 nan 8.370 nan 0.000 0.435 128 Q N 0.625 120.406 119.800 -0.030 0.000 2.050 128 Q HA -0.098 4.237 4.340 -0.009 0.000 0.202 128 Q C -0.830 175.177 176.000 0.012 0.000 0.980 128 Q CA 1.392 57.157 55.803 -0.063 0.000 0.840 128 Q CB -0.978 27.774 28.738 0.025 0.000 0.898 128 Q HN 0.428 nan 8.270 nan 0.000 0.424 129 P HA -0.115 nan 4.420 nan 0.000 0.217 129 P C 0.897 178.258 177.300 0.102 0.000 1.148 129 P CA 1.658 64.814 63.100 0.093 0.000 0.828 129 P CB 0.020 31.763 31.700 0.071 0.000 0.783 130 S N -1.571 114.172 115.700 0.073 0.000 2.388 130 S HA 0.041 4.506 4.470 -0.009 0.000 0.223 130 S C 1.818 176.482 174.600 0.107 0.000 1.034 130 S CA 0.993 59.240 58.200 0.077 0.000 0.963 130 S CB -0.683 62.538 63.200 0.035 0.000 0.827 130 S HN 0.145 nan 8.310 nan 0.000 0.481 131 M N 1.219 120.884 119.600 0.108 0.000 2.319 131 M HA -0.051 4.423 4.480 -0.009 0.000 0.265 131 M C 2.369 178.829 176.300 0.267 0.000 1.068 131 M CA 0.905 56.308 55.300 0.171 0.000 1.118 131 M CB -0.252 32.465 32.600 0.194 0.000 1.395 131 M HN 0.324 nan 8.290 nan 0.000 0.435 132 Q N -0.425 119.563 119.800 0.313 0.000 2.170 132 Q HA -0.227 4.107 4.340 -0.009 0.000 0.203 132 Q C 1.868 177.950 176.000 0.137 0.000 0.976 132 Q CA 1.511 57.518 55.803 0.340 0.000 0.858 132 Q CB -0.005 28.948 28.738 0.358 0.000 0.907 132 Q HN 0.538 nan 8.270 nan 0.000 0.433 133 Y N 0.460 120.750 120.300 -0.016 0.000 2.243 133 Y HA -0.092 4.452 4.550 -0.009 0.000 0.293 133 Y C 1.699 177.518 175.900 -0.136 0.000 1.124 133 Y CA 1.049 59.119 58.100 -0.050 0.000 1.159 133 Y CB -0.190 38.245 38.460 -0.041 0.000 1.008 133 Y HN 0.064 nan 8.280 nan 0.000 0.527 134 I N -0.254 120.170 120.570 -0.245 0.000 2.179 134 I HA -0.262 3.903 4.170 -0.009 0.000 0.242 134 I C 2.715 178.525 176.117 -0.511 0.000 1.088 134 I CA 1.457 62.526 61.300 -0.386 0.000 1.357 134 I CB -1.126 36.692 38.000 -0.303 0.000 1.051 134 I HN 0.315 nan 8.210 nan 0.000 0.409 135 G N 1.028 109.368 108.800 -0.767 0.000 2.556 135 G HA2 -0.374 3.581 3.960 -0.009 0.000 0.220 135 G HA3 -0.374 3.581 3.960 -0.009 0.000 0.220 135 G C 1.721 176.121 174.900 -0.834 0.000 1.156 135 G CA 1.302 45.363 45.100 -1.732 0.000 0.766 135 G HN 0.337 nan 8.290 nan 0.000 0.583 136 K N 0.683 120.848 120.400 -0.390 0.000 2.097 136 K HA 0.069 4.384 4.320 -0.009 0.000 0.205 136 K C 2.849 179.373 176.600 -0.127 0.000 1.050 136 K CA 1.190 57.403 56.287 -0.125 0.000 0.938 136 K CB -0.319 32.188 32.500 0.012 0.000 0.718 136 K HN 0.237 nan 8.250 nan 0.000 0.442 137 A N 1.389 124.073 122.820 -0.227 0.000 1.902 137 A HA -0.149 4.165 4.320 -0.009 0.000 0.217 137 A C 2.013 179.546 177.584 -0.085 0.000 1.181 137 A CA 1.043 52.982 52.037 -0.163 0.000 0.623 137 A CB -0.470 18.384 19.000 -0.243 0.000 0.818 137 A HN 0.257 nan 8.150 nan 0.000 0.443 138 L N 0.067 121.189 121.223 -0.168 0.000 1.989 138 L HA -0.165 4.169 4.340 -0.009 0.000 0.211 138 L C 2.375 179.276 176.870 0.051 0.000 1.071 138 L CA 1.993 56.776 54.840 -0.095 0.000 0.749 138 L CB -0.937 40.999 42.059 -0.205 0.000 0.890 138 L HN 0.366 nan 8.230 nan 0.000 0.431 139 K N -0.538 119.894 120.400 0.053 0.000 2.074 139 K HA -0.234 4.081 4.320 -0.009 0.000 0.209 139 K C 1.962 178.604 176.600 0.071 0.000 1.048 139 K CA 1.804 58.147 56.287 0.093 0.000 0.926 139 K CB -0.081 32.489 32.500 0.118 0.000 0.713 139 K HN 0.448 nan 8.250 nan 0.000 0.444 140 E N -0.105 120.131 120.200 0.061 0.000 2.047 140 E HA -0.182 4.162 4.350 -0.009 0.000 0.191 140 E C 1.802 178.450 176.600 0.080 0.000 0.987 140 E CA 1.068 57.503 56.400 0.058 0.000 0.799 140 E CB -0.203 29.527 29.700 0.050 0.000 0.752 140 E HN 0.208 nan 8.360 nan 0.000 0.449 141 F N 1.777 121.706 119.950 -0.035 0.000 2.065 141 F HA -0.281 4.241 4.527 -0.009 0.000 0.298 141 F C 2.354 178.139 175.800 -0.026 0.000 1.112 141 F CA 1.728 59.710 58.000 -0.030 0.000 1.212 141 F CB 0.057 39.030 39.000 -0.046 0.000 0.975 141 F HN -0.155 nan 8.300 nan 0.000 0.476 142 R N 0.102 120.701 120.500 0.164 0.000 2.080 142 R HA -0.192 4.143 4.340 -0.009 0.000 0.236 142 R C 1.837 178.117 176.300 -0.032 0.000 1.137 142 R CA 1.807 57.940 56.100 0.056 0.000 0.943 142 R CB -0.761 29.577 30.300 0.065 0.000 0.846 142 R HN 0.259 nan 8.270 nan 0.000 0.431 143 D N 0.033 120.423 120.400 -0.017 0.000 2.271 143 D HA -0.133 4.502 4.640 -0.009 0.000 0.207 143 D C 1.677 177.940 176.300 -0.062 0.000 0.983 143 D CA 1.514 55.495 54.000 -0.032 0.000 0.878 143 D CB -0.188 40.606 40.800 -0.011 0.000 0.920 143 D HN 0.250 nan 8.370 nan 0.000 0.479 144 S N -1.113 114.522 115.700 -0.107 0.000 2.603 144 S HA 0.211 4.676 4.470 -0.009 0.000 0.220 144 S C 1.666 176.174 174.600 -0.153 0.000 0.967 144 S CA 0.753 58.870 58.200 -0.139 0.000 0.920 144 S CB 0.147 63.227 63.200 -0.199 0.000 0.773 144 S HN 0.311 nan 8.310 nan 0.000 0.529 145 G N 0.653 109.370 108.800 -0.138 0.000 2.157 145 G HA2 -0.233 3.721 3.960 -0.009 0.000 0.248 145 G HA3 -0.233 3.721 3.960 -0.009 0.000 0.248 145 G C -0.124 174.697 174.900 -0.132 0.000 0.979 145 G CA 0.105 45.136 45.100 -0.114 0.000 0.650 145 G HN 0.602 nan 8.290 nan 0.000 0.529 146 K N 1.583 121.847 120.400 -0.227 0.000 2.174 146 K HA 0.498 4.812 4.320 -0.009 0.000 0.275 146 K C -2.257 174.340 176.600 -0.005 0.000 1.015 146 K CA -1.651 54.533 56.287 -0.172 0.000 0.933 146 K CB 1.676 33.894 32.500 -0.469 0.000 1.025 146 K HN 0.116 nan 8.250 nan 0.000 0.463 147 P HA 0.147 nan 4.420 nan 0.000 0.281 147 P C -0.838 176.475 177.300 0.022 0.000 1.249 147 P CA -0.503 62.543 63.100 -0.091 0.000 0.810 147 P CB 1.038 32.543 31.700 -0.325 0.000 1.008 148 V N 3.606 123.450 119.914 -0.116 0.000 2.409 148 V HA 0.315 4.430 4.120 -0.009 0.000 0.291 148 V C -0.597 175.396 176.094 -0.168 0.000 1.020 148 V CA -0.405 61.865 62.300 -0.049 0.000 0.848 148 V CB 0.577 32.401 31.823 0.002 0.000 0.990 148 V HN 0.404 nan 8.190 nan 0.000 0.430 149 Y N 2.453 122.879 120.300 0.210 0.000 2.409 149 Y HA 0.773 5.318 4.550 -0.009 0.000 0.339 149 Y C 0.423 176.471 175.900 0.248 0.000 1.033 149 Y CA -0.679 57.586 58.100 0.275 0.000 1.094 149 Y CB 1.997 40.772 38.460 0.525 0.000 1.210 149 Y HN 0.691 nan 8.280 nan 0.000 0.456 150 A N 2.362 125.429 122.820 0.413 0.000 2.330 150 A HA 0.841 5.156 4.320 -0.009 0.000 0.327 150 A C -1.059 176.860 177.584 0.557 0.000 1.155 150 A CA -0.694 51.571 52.037 0.381 0.000 0.803 150 A CB 0.800 19.940 19.000 0.233 0.000 1.208 150 A HN 0.856 nan 8.150 nan 0.000 0.477 151 V N -0.189 120.017 119.914 0.487 0.000 2.686 151 V HA 1.015 5.130 4.120 -0.009 0.000 0.306 151 V C -0.172 176.062 176.094 0.234 0.000 1.065 151 V CA 0.261 62.811 62.300 0.416 0.000 0.894 151 V CB 1.265 33.223 31.823 0.225 0.000 1.004 151 V HN 1.906 nan 8.190 nan 0.000 0.424 152 G N 2.868 111.732 108.800 0.106 0.000 2.601 152 G HA2 0.520 4.475 3.960 -0.009 0.000 0.291 152 G HA3 0.520 4.475 3.960 -0.009 0.000 0.291 152 G C -0.246 174.599 174.900 -0.092 0.000 1.456 152 G CA -0.124 44.870 45.100 -0.178 0.000 0.804 152 G HN 0.652 nan 8.290 nan 0.000 0.499 153 E N 0.012 120.168 120.200 -0.072 0.000 2.107 153 E HA -0.017 4.327 4.350 -0.009 0.000 0.191 153 E C 0.318 176.901 176.600 -0.029 0.000 0.982 153 E CA 0.855 57.248 56.400 -0.011 0.000 0.809 153 E CB 0.169 29.872 29.700 0.005 0.000 0.756 153 E HN 0.406 nan 8.360 nan 0.000 0.459 154 N N -0.456 118.162 118.700 -0.136 0.000 2.357 154 N HA 0.298 5.032 4.740 -0.009 0.000 0.284 154 N C -1.361 173.967 175.510 -0.303 0.000 1.236 154 N CA -0.505 52.492 53.050 -0.087 0.000 0.774 154 N CB 1.492 39.989 38.487 0.016 0.000 1.534 154 N HN -0.094 nan 8.380 nan 0.000 0.478 155 Y N 0.138 120.559 120.300 0.202 0.000 2.326 155 Y HA 0.258 4.802 4.550 -0.009 0.000 0.329 155 Y C 0.903 176.946 175.900 0.240 0.000 0.973 155 Y CA -0.791 57.466 58.100 0.261 0.000 1.162 155 Y CB 1.417 40.099 38.460 0.370 0.000 1.147 155 Y HN 0.458 nan 8.280 nan 0.000 0.456 156 S N 1.430 117.344 115.700 0.358 0.000 2.600 156 S HA 0.024 4.488 4.470 -0.009 0.000 0.265 156 S C 1.248 176.083 174.600 0.391 0.000 1.325 156 S CA -0.388 58.001 58.200 0.315 0.000 1.002 156 S CB 1.300 64.647 63.200 0.244 0.000 0.921 156 S HN 0.907 nan 8.310 nan 0.000 0.554 157 Q N 1.406 121.407 119.800 0.335 0.000 2.077 157 Q HA -0.111 4.224 4.340 -0.009 0.000 0.206 157 Q C 2.102 178.411 176.000 0.515 0.000 0.989 157 Q CA 2.059 58.056 55.803 0.324 0.000 0.853 157 Q CB -1.144 27.597 28.738 0.004 0.000 0.907 157 Q HN 0.993 nan 8.270 nan 0.000 0.418 158 G N -0.182 108.865 108.800 0.412 0.000 2.402 158 G HA2 -0.272 3.682 3.960 -0.009 0.000 0.216 158 G HA3 -0.272 3.682 3.960 -0.009 0.000 0.216 158 G C 1.170 176.403 174.900 0.555 0.000 1.162 158 G CA 0.681 46.042 45.100 0.436 0.000 0.777 158 G HN 0.391 nan 8.290 nan 0.000 0.539 159 Q N -1.132 118.991 119.800 0.538 0.000 2.248 159 Q HA -0.175 4.160 4.340 -0.009 0.000 0.208 159 Q C 2.103 178.458 176.000 0.592 0.000 0.984 159 Q CA 1.417 57.605 55.803 0.642 0.000 0.875 159 Q CB -0.233 28.852 28.738 0.579 0.000 0.910 159 Q HN 0.693 nan 8.270 nan 0.000 0.433 160 Y N -0.920 119.648 120.300 0.446 0.000 2.365 160 Y HA -0.182 4.363 4.550 -0.009 0.000 0.293 160 Y C 1.819 177.834 175.900 0.191 0.000 1.119 160 Y CA 0.695 58.948 58.100 0.255 0.000 1.203 160 Y CB -0.139 38.470 38.460 0.247 0.000 1.026 160 Y HN 0.122 nan 8.280 nan 0.000 0.549 161 Y N 0.408 120.809 120.300 0.169 0.000 2.053 161 Y HA -0.361 4.184 4.550 -0.009 0.000 0.277 161 Y C 2.181 178.127 175.900 0.077 0.000 1.159 161 Y CA 2.437 60.533 58.100 -0.007 0.000 1.125 161 Y CB -0.609 37.946 38.460 0.157 0.000 0.969 161 Y HN 0.134 nan 8.280 nan 0.000 0.492 162 L N -0.645 120.785 121.223 0.346 0.000 2.017 162 L HA -0.247 4.087 4.340 -0.009 0.000 0.208 162 L C 2.788 179.714 176.870 0.093 0.000 1.073 162 L CA 1.164 56.137 54.840 0.222 0.000 0.745 162 L CB -1.040 41.075 42.059 0.093 0.000 0.894 162 L HN 0.390 nan 8.230 nan 0.000 0.432 163 A N 0.192 123.011 122.820 -0.002 0.000 1.948 163 A HA -0.273 4.041 4.320 -0.009 0.000 0.220 163 A C 2.433 179.845 177.584 -0.287 0.000 1.177 163 A CA 2.210 54.175 52.037 -0.119 0.000 0.636 163 A CB -0.783 18.079 19.000 -0.230 0.000 0.815 163 A HN 0.574 nan 8.150 nan 0.000 0.449 164 S N -1.522 113.871 115.700 -0.512 0.000 2.507 164 S HA -0.023 4.441 4.470 -0.009 0.000 0.235 164 S C 1.393 175.691 174.600 -0.502 0.000 0.988 164 S CA 0.968 58.767 58.200 -0.668 0.000 0.944 164 S CB -0.750 61.899 63.200 -0.919 0.000 0.762 164 S HN 0.428 nan 8.310 nan 0.000 0.526 165 F N 2.244 121.993 119.950 -0.336 0.000 2.710 165 F HA 0.442 4.964 4.527 -0.010 0.000 0.298 165 F C 1.721 177.410 175.800 -0.185 0.000 1.137 165 F CA 0.019 57.870 58.000 -0.249 0.000 1.444 165 F CB -0.403 38.464 39.000 -0.222 0.000 1.111 165 F HN 0.258 nan 8.300 nan 0.000 0.580 166 A N 0.494 123.295 122.820 -0.031 0.000 2.406 166 A HA 0.060 4.374 4.320 -0.009 0.000 0.243 166 A C 1.335 178.853 177.584 -0.109 0.000 1.082 166 A CA -0.249 51.757 52.037 -0.052 0.000 0.786 166 A CB 0.145 19.133 19.000 -0.020 0.000 1.029 166 A HN 0.311 nan 8.150 nan 0.000 0.495 167 N N -0.151 118.468 118.700 -0.136 0.000 2.270 167 N HA -0.050 4.685 4.740 -0.009 0.000 0.181 167 N C 0.306 175.708 175.510 -0.180 0.000 1.016 167 N CA 1.224 54.173 53.050 -0.168 0.000 0.870 167 N CB 0.108 38.461 38.487 -0.223 0.000 0.979 167 N HN 0.677 nan 8.380 nan 0.000 0.431 168 K N 0.603 120.895 120.400 -0.180 0.000 2.535 168 K HA 0.397 4.712 4.320 -0.009 0.000 0.251 168 K C -1.797 174.684 176.600 -0.198 0.000 0.942 168 K CA -0.395 55.746 56.287 -0.243 0.000 0.798 168 K CB 1.548 33.861 32.500 -0.311 0.000 1.267 168 K HN -0.160 nan 8.250 nan 0.000 0.434 169 I N 3.202 123.627 120.570 -0.242 0.000 2.406 169 I HA 0.418 4.583 4.170 -0.009 0.000 0.290 169 I C -0.564 175.511 176.117 -0.071 0.000 0.999 169 I CA -0.815 60.444 61.300 -0.069 0.000 1.124 169 I CB 1.207 39.151 38.000 -0.095 0.000 1.289 169 I HN 0.414 nan 8.210 nan 0.000 0.441 170 W N 6.790 128.217 121.300 0.213 0.000 2.478 170 W HA 0.541 5.195 4.660 -0.010 0.000 0.318 170 W C -0.822 175.877 176.519 0.300 0.000 1.062 170 W CA -0.656 56.810 57.345 0.202 0.000 1.210 170 W CB 2.050 31.600 29.460 0.150 0.000 1.325 170 W HN 0.220 nan 8.180 nan 0.000 0.496 171 L N 2.658 124.160 121.223 0.466 0.000 2.370 171 L HA 0.450 4.785 4.340 -0.009 0.000 0.266 171 L C 0.401 177.429 176.870 0.264 0.000 1.002 171 L CA -0.223 54.851 54.840 0.389 0.000 0.818 171 L CB 1.885 44.167 42.059 0.373 0.000 1.325 171 L HN 0.289 nan 8.230 nan 0.000 0.418 172 S N 3.303 119.114 115.700 0.184 0.000 2.559 172 S HA 0.173 4.638 4.470 -0.009 0.000 0.282 172 S C -1.769 172.908 174.600 0.129 0.000 1.336 172 S CA -0.287 57.991 58.200 0.130 0.000 1.037 172 S CB 0.544 63.797 63.200 0.088 0.000 0.853 172 S HN 0.663 nan 8.310 nan 0.000 0.523 173 P HA 0.036 nan 4.420 nan 0.000 0.233 173 P C 0.303 177.654 177.300 0.086 0.000 1.167 173 P CA 0.621 63.779 63.100 0.097 0.000 0.770 173 P CB 0.078 31.826 31.700 0.079 0.000 0.837 174 Q N -1.083 118.764 119.800 0.079 0.000 2.179 174 Q HA 0.328 4.663 4.340 -0.009 0.000 0.213 174 Q C 0.880 176.926 176.000 0.077 0.000 0.833 174 Q CA -0.045 55.800 55.803 0.071 0.000 0.990 174 Q CB 0.227 28.997 28.738 0.054 0.000 1.132 174 Q HN 0.026 nan 8.270 nan 0.000 0.493 175 G N 0.671 109.529 108.800 0.097 0.000 2.535 175 G HA2 0.484 4.439 3.960 -0.009 0.000 0.303 175 G HA3 0.484 4.439 3.960 -0.009 0.000 0.303 175 G C -1.006 173.971 174.900 0.128 0.000 1.237 175 G CA -0.441 44.721 45.100 0.104 0.000 0.986 175 G HN 0.088 nan 8.290 nan 0.000 0.494 176 V N -0.473 119.524 119.914 0.137 0.000 2.735 176 V HA 0.573 4.688 4.120 -0.009 0.000 0.310 176 V C -0.682 175.535 176.094 0.205 0.000 1.061 176 V CA -0.705 61.685 62.300 0.151 0.000 0.913 176 V CB 2.138 34.026 31.823 0.108 0.000 1.005 176 V HN 0.504 nan 8.190 nan 0.000 0.428 177 V N 5.336 125.365 119.914 0.190 0.000 2.348 177 V HA 0.332 4.447 4.120 -0.009 0.000 0.270 177 V C -0.085 176.084 176.094 0.124 0.000 1.037 177 V CA -0.344 62.039 62.300 0.139 0.000 0.872 177 V CB 1.217 32.995 31.823 -0.076 0.000 1.002 177 V HN 0.937 nan 8.190 nan 0.000 0.464 178 D N 5.413 125.919 120.400 0.177 0.000 2.563 178 D HA 0.260 4.895 4.640 -0.009 0.000 0.222 178 D C -0.563 175.880 176.300 0.238 0.000 1.145 178 D CA -0.286 53.846 54.000 0.220 0.000 1.001 178 D CB 0.283 41.224 40.800 0.235 0.000 1.049 178 D HN 0.152 nan 8.370 nan 0.000 0.515 179 L N 3.383 124.708 121.223 0.170 0.000 2.289 179 L HA 0.338 4.672 4.340 -0.009 0.000 0.285 179 L C 0.707 177.553 176.870 -0.040 0.000 1.049 179 L CA -0.232 54.617 54.840 0.015 0.000 0.804 179 L CB 1.070 43.234 42.059 0.176 0.000 1.195 179 L HN 0.504 nan 8.230 nan 0.000 0.428 180 H N 0.273 119.123 119.070 -0.366 0.000 3.787 180 H HA 0.608 5.159 4.556 -0.008 0.000 0.262 180 H C 0.547 175.376 175.328 -0.832 0.000 1.181 180 H CA -0.127 55.691 56.048 -0.385 0.000 1.159 180 H CB 0.308 29.976 29.762 -0.157 0.000 1.563 180 H HN 0.721 nan 8.280 nan 0.000 0.699 181 G N 0.271 108.047 108.800 -1.707 0.000 2.483 181 G HA2 -0.004 3.951 3.960 -0.009 0.000 0.521 181 G HA3 -0.004 3.951 3.960 -0.009 0.000 0.521 181 G C -1.364 172.762 174.900 -1.290 0.000 1.278 181 G CA -0.615 43.074 45.100 -2.352 0.000 0.965 181 G HN 0.139 nan 8.290 nan 0.000 0.504 182 F N 0.581 119.941 119.950 -0.983 0.000 2.507 182 F HA 0.921 5.442 4.527 -0.010 0.000 0.327 182 F C 0.866 176.488 175.800 -0.296 0.000 1.068 182 F CA -0.832 56.914 58.000 -0.424 0.000 0.965 182 F CB 1.963 40.842 39.000 -0.202 0.000 1.192 182 F HN 1.367 nan 8.300 nan 0.000 0.476 183 A N 0.797 123.637 122.820 0.034 0.000 2.574 183 A HA 0.682 4.997 4.320 -0.009 0.000 0.297 183 A C -0.955 176.611 177.584 -0.029 0.000 1.062 183 A CA -0.565 51.452 52.037 -0.035 0.000 0.686 183 A CB 1.619 20.597 19.000 -0.037 0.000 1.285 183 A HN 0.604 nan 8.150 nan 0.000 0.403 184 T N 1.593 116.120 114.554 -0.045 0.000 2.925 184 T HA 0.614 4.958 4.350 -0.009 0.000 0.285 184 T C -0.573 174.132 174.700 0.007 0.000 1.021 184 T CA -0.542 61.556 62.100 -0.004 0.000 1.042 184 T CB 0.609 69.465 68.868 -0.020 0.000 1.037 184 T HN 0.634 nan 8.240 nan 0.000 0.481 185 N N 1.113 119.827 118.700 0.023 0.000 2.503 185 N HA 0.477 5.211 4.740 -0.009 0.000 0.287 185 N C -1.267 174.247 175.510 0.008 0.000 1.096 185 N CA -0.423 52.641 53.050 0.023 0.000 0.936 185 N CB 1.833 40.324 38.487 0.007 0.000 1.570 185 N HN 0.805 nan 8.380 nan 0.000 0.504 186 G N 2.451 111.257 108.800 0.010 0.000 2.612 186 G HA2 0.526 4.480 3.960 -0.009 0.000 0.298 186 G HA3 0.526 4.480 3.960 -0.009 0.000 0.298 186 G C -0.832 173.942 174.900 -0.209 0.000 1.336 186 G CA -0.510 44.503 45.100 -0.145 0.000 0.953 186 G HN 0.392 nan 8.290 nan 0.000 0.482 187 L N 0.405 121.466 121.223 -0.270 0.000 2.375 187 L HA 0.483 4.818 4.340 -0.009 0.000 0.271 187 L C -0.899 175.690 176.870 -0.468 0.000 1.107 187 L CA -0.618 54.138 54.840 -0.141 0.000 0.806 187 L CB 1.155 43.245 42.059 0.052 0.000 1.146 187 L HN 0.488 nan 8.230 nan 0.000 0.447 188 Y N 1.438 121.687 120.300 -0.084 0.000 2.421 188 Y HA 0.295 4.838 4.550 -0.012 0.000 0.339 188 Y C -0.385 175.400 175.900 -0.192 0.000 0.996 188 Y CA -0.660 57.240 58.100 -0.333 0.000 1.046 188 Y CB 1.475 39.800 38.460 -0.225 0.000 1.226 188 Y HN 0.417 nan 8.280 nan 0.000 0.445 189 Y N 0.335 120.625 120.300 -0.017 0.000 2.750 189 Y HA 0.409 4.954 4.550 -0.009 0.000 0.247 189 Y C 1.218 177.107 175.900 -0.018 0.000 1.098 189 Y CA -1.126 56.952 58.100 -0.037 0.000 1.120 189 Y CB -0.206 38.203 38.460 -0.086 0.000 1.210 189 Y HN 0.466 nan 8.280 nan 0.000 0.601 190 K N 1.085 121.469 120.400 -0.026 0.000 2.020 190 K HA -0.170 4.144 4.320 -0.009 0.000 0.212 190 K C 1.586 178.213 176.600 0.046 0.000 1.050 190 K CA 2.036 58.331 56.287 0.013 0.000 0.929 190 K CB -0.164 32.325 32.500 -0.019 0.000 0.714 190 K HN 0.451 nan 8.250 nan 0.000 0.443 191 S N 1.451 117.173 115.700 0.037 0.000 2.370 191 S HA -0.182 4.283 4.470 -0.009 0.000 0.226 191 S C 1.794 176.423 174.600 0.047 0.000 1.033 191 S CA 1.310 59.529 58.200 0.032 0.000 1.011 191 S CB -0.324 62.889 63.200 0.022 0.000 0.852 191 S HN 0.290 nan 8.310 nan 0.000 0.457 192 L N 2.071 123.340 121.223 0.077 0.000 1.955 192 L HA -0.049 4.286 4.340 -0.009 0.000 0.213 192 L C 2.011 178.921 176.870 0.067 0.000 1.072 192 L CA 1.733 56.614 54.840 0.069 0.000 0.755 192 L CB -0.837 41.272 42.059 0.083 0.000 0.888 192 L HN 0.286 nan 8.230 nan 0.000 0.432 193 L N -0.430 120.857 121.223 0.108 0.000 2.129 193 L HA -0.269 4.065 4.340 -0.009 0.000 0.212 193 L C 2.230 179.133 176.870 0.056 0.000 1.087 193 L CA 1.402 56.301 54.840 0.099 0.000 0.757 193 L CB -0.946 41.208 42.059 0.160 0.000 0.896 193 L HN 0.379 nan 8.230 nan 0.000 0.434 194 D N 0.171 120.597 120.400 0.043 0.000 2.117 194 D HA -0.130 4.504 4.640 -0.009 0.000 0.198 194 D C 2.207 178.517 176.300 0.017 0.000 0.982 194 D CA 1.088 55.102 54.000 0.022 0.000 0.828 194 D CB -0.030 40.778 40.800 0.013 0.000 0.967 194 D HN 0.286 nan 8.370 nan 0.000 0.464 195 K N 0.231 120.642 120.400 0.019 0.000 2.097 195 K HA -0.021 4.293 4.320 -0.009 0.000 0.206 195 K C 1.917 178.523 176.600 0.010 0.000 1.049 195 K CA 0.615 56.910 56.287 0.012 0.000 0.933 195 K CB -0.042 32.465 32.500 0.012 0.000 0.717 195 K HN 0.159 nan 8.250 nan 0.000 0.442 196 L N 0.659 121.891 121.223 0.015 0.000 2.599 196 L HA 0.050 4.384 4.340 -0.009 0.000 0.230 196 L C 0.250 177.127 176.870 0.011 0.000 1.141 196 L CA 0.249 55.095 54.840 0.011 0.000 0.877 196 L CB -0.169 41.897 42.059 0.012 0.000 1.009 196 L HN 0.198 nan 8.230 nan 0.000 0.447 197 K N -0.845 119.563 120.400 0.013 0.000 3.209 197 K HA -0.170 4.144 4.320 -0.009 0.000 0.289 197 K C 0.060 176.669 176.600 0.014 0.000 1.191 197 K CA 0.089 56.382 56.287 0.011 0.000 0.851 197 K CB -1.575 30.928 32.500 0.006 0.000 1.242 197 K HN 0.081 nan 8.250 nan 0.000 0.480 198 V N 1.510 121.438 119.914 0.024 0.000 2.655 198 V HA 0.007 4.122 4.120 -0.009 0.000 0.300 198 V C 0.817 176.918 176.094 0.012 0.000 1.044 198 V CA 0.160 62.479 62.300 0.032 0.000 1.095 198 V CB 1.660 33.519 31.823 0.059 0.000 0.952 198 V HN 0.171 nan 8.190 nan 0.000 0.485 199 S N 3.255 118.958 115.700 0.004 0.000 2.475 199 S HA 0.472 4.937 4.470 -0.009 0.000 0.281 199 S C 0.106 174.623 174.600 -0.139 0.000 1.198 199 S CA -0.489 57.668 58.200 -0.071 0.000 1.063 199 S CB 0.943 64.141 63.200 -0.003 0.000 0.972 199 S HN 0.872 nan 8.310 nan 0.000 0.486 200 T N 4.095 118.481 114.554 -0.280 0.000 2.829 200 T HA 0.460 4.804 4.350 -0.009 0.000 0.280 200 T C -0.853 173.515 174.700 -0.553 0.000 0.999 200 T CA -0.660 61.283 62.100 -0.262 0.000 0.983 200 T CB 0.693 69.516 68.868 -0.076 0.000 0.968 200 T HN 0.553 nan 8.240 nan 0.000 0.446 201 H N 1.142 120.136 119.070 -0.127 0.000 2.744 201 H HA 0.499 5.050 4.556 -0.008 0.000 0.339 201 H C -1.184 173.887 175.328 -0.429 0.000 1.004 201 H CA -0.452 55.432 56.048 -0.273 0.000 1.257 201 H CB 1.819 31.504 29.762 -0.128 0.000 1.552 201 H HN 0.288 nan 8.280 nan 0.000 0.522 202 V N 4.865 124.480 119.914 -0.499 0.000 2.495 202 V HA 0.318 4.432 4.120 -0.009 0.000 0.298 202 V C -0.773 174.923 176.094 -0.663 0.000 1.031 202 V CA -0.573 61.481 62.300 -0.410 0.000 0.871 202 V CB 1.145 32.846 31.823 -0.203 0.000 0.988 202 V HN 0.494 nan 8.190 nan 0.000 0.432 203 F N 4.884 124.873 119.950 0.064 0.000 2.445 203 F HA 0.752 5.274 4.527 -0.009 0.000 0.348 203 F C 0.128 175.987 175.800 0.099 0.000 1.125 203 F CA -0.535 57.505 58.000 0.066 0.000 0.983 203 F CB 1.382 40.413 39.000 0.053 0.000 1.198 203 F HN 0.372 nan 8.300 nan 0.000 0.436 204 R N 2.003 122.615 120.500 0.186 0.000 2.668 204 R HA 0.868 5.203 4.340 -0.009 0.000 0.272 204 R C -2.412 173.936 176.300 0.080 0.000 1.019 204 R CA -0.699 55.498 56.100 0.161 0.000 0.894 204 R CB 2.344 32.708 30.300 0.107 0.000 1.228 204 R HN 0.454 nan 8.270 nan 0.000 0.460 205 V N 2.525 122.478 119.914 0.065 0.000 2.488 205 V HA 0.776 4.890 4.120 -0.009 0.000 0.293 205 V C -0.402 175.626 176.094 -0.109 0.000 1.027 205 V CA -0.019 62.199 62.300 -0.137 0.000 0.862 205 V CB 1.646 33.267 31.823 -0.337 0.000 1.008 205 V HN 1.011 nan 8.190 nan 0.000 0.428 206 G N 2.270 111.002 108.800 -0.114 0.000 2.194 206 G HA2 0.021 3.975 3.960 -0.009 0.000 0.178 206 G HA3 0.021 3.975 3.960 -0.009 0.000 0.178 206 G C 0.174 175.042 174.900 -0.053 0.000 2.173 206 G CA -0.018 45.081 45.100 -0.002 0.000 1.042 206 G HN 0.496 nan 8.290 nan 0.000 0.588 207 T N 0.897 115.362 114.554 -0.148 0.000 2.737 207 T HA -0.155 4.190 4.350 -0.009 0.000 0.269 207 T C 1.557 175.976 174.700 -0.467 0.000 1.040 207 T CA 2.181 64.073 62.100 -0.347 0.000 1.142 207 T CB -0.165 68.417 68.868 -0.478 0.000 0.861 207 T HN 0.570 nan 8.240 nan 0.000 0.456 208 Y N -0.072 120.215 120.300 -0.021 0.000 2.555 208 Y HA 0.423 4.967 4.550 -0.009 0.000 0.259 208 Y C 0.844 176.703 175.900 -0.069 0.000 1.179 208 Y CA -0.669 57.378 58.100 -0.089 0.000 1.230 208 Y CB 0.180 38.508 38.460 -0.221 0.000 1.146 208 Y HN -0.134 nan 8.280 nan 0.000 0.526 209 K N 1.814 122.261 120.400 0.078 0.000 2.121 209 K HA 0.060 4.375 4.320 -0.009 0.000 0.235 209 K C 0.984 177.593 176.600 0.014 0.000 1.200 209 K CA 0.101 56.446 56.287 0.097 0.000 1.115 209 K CB -0.329 32.279 32.500 0.179 0.000 1.474 209 K HN 0.220 nan 8.250 nan 0.000 0.295 210 S N 0.782 116.481 115.700 -0.001 0.000 2.558 210 S HA 0.027 4.491 4.470 -0.009 0.000 0.217 210 S C 1.653 176.206 174.600 -0.078 0.000 0.975 210 S CA 0.220 58.407 58.200 -0.021 0.000 0.912 210 S CB 0.247 63.463 63.200 0.026 0.000 0.776 210 S HN 0.396 nan 8.310 nan 0.000 0.526 211 A N 0.925 123.643 122.820 -0.170 0.000 2.239 211 A HA 0.329 4.644 4.320 -0.009 0.000 0.209 211 A C 1.855 179.226 177.584 -0.356 0.000 1.171 211 A CA 0.530 52.405 52.037 -0.270 0.000 0.768 211 A CB -0.548 18.275 19.000 -0.294 0.000 0.790 211 A HN 0.437 nan 8.150 nan 0.000 0.478 212 V N -0.340 119.400 119.914 -0.290 0.000 2.992 212 V HA -0.111 4.004 4.120 -0.009 0.000 0.250 212 V C 2.091 178.216 176.094 0.053 0.000 1.090 212 V CA 1.279 63.519 62.300 -0.101 0.000 1.101 212 V CB -0.337 31.409 31.823 -0.128 0.000 0.743 212 V HN 0.637 nan 8.190 nan 0.000 0.468 213 E N 0.729 120.920 120.200 -0.016 0.000 2.130 213 E HA -0.241 4.104 4.350 -0.009 0.000 0.196 213 E C -0.499 176.104 176.600 0.006 0.000 0.998 213 E CA 1.611 58.034 56.400 0.039 0.000 0.806 213 E CB -1.305 28.470 29.700 0.126 0.000 0.738 213 E HN 0.539 nan 8.360 nan 0.000 0.459 214 P HA -0.180 nan 4.420 nan 0.000 0.217 214 P C 0.835 177.566 177.300 -0.949 0.000 1.148 214 P CA 1.333 63.954 63.100 -0.798 0.000 0.834 214 P CB -0.151 30.838 31.700 -1.184 0.000 0.783 215 F N -1.592 118.152 119.950 -0.344 0.000 2.569 215 F HA 0.145 4.669 4.527 -0.006 0.000 0.295 215 F C 1.931 177.654 175.800 -0.128 0.000 1.115 215 F CA 0.470 58.352 58.000 -0.196 0.000 1.450 215 F CB -0.552 38.405 39.000 -0.072 0.000 1.107 215 F HN -0.116 nan 8.300 nan 0.000 0.563 216 I N -3.306 117.294 120.570 0.049 0.000 4.240 216 I HA 0.380 4.544 4.170 -0.009 0.000 0.331 216 I C 0.301 176.402 176.117 -0.027 0.000 1.381 216 I CA -0.182 61.124 61.300 0.011 0.000 1.136 216 I CB 0.268 38.269 38.000 0.001 0.000 1.137 216 I HN -0.254 nan 8.210 nan 0.000 0.411 217 R N 0.474 120.951 120.500 -0.038 0.000 2.869 217 R HA 0.439 4.774 4.340 -0.009 0.000 0.263 217 R C -0.616 175.639 176.300 -0.075 0.000 1.066 217 R CA -0.770 55.290 56.100 -0.068 0.000 0.960 217 R CB 1.321 31.559 30.300 -0.104 0.000 1.221 217 R HN -0.094 nan 8.270 nan 0.000 0.474 218 D N 0.182 120.503 120.400 -0.132 0.000 2.433 218 D HA 0.084 4.718 4.640 -0.009 0.000 0.211 218 D C -0.748 175.377 176.300 -0.293 0.000 1.114 218 D CA 0.657 54.585 54.000 -0.120 0.000 0.837 218 D CB 0.513 41.267 40.800 -0.078 0.000 0.984 218 D HN 0.489 nan 8.370 nan 0.000 0.505 219 D N -1.364 118.714 120.400 -0.536 0.000 2.692 219 D HA 0.137 4.772 4.640 -0.009 0.000 0.290 219 D C -0.264 175.534 176.300 -0.836 0.000 1.281 219 D CA -0.642 52.887 54.000 -0.784 0.000 0.804 219 D CB 0.419 40.989 40.800 -0.382 0.000 1.331 219 D HN -0.265 nan 8.370 nan 0.000 0.432 220 M N 0.819 120.005 119.600 -0.690 0.000 2.252 220 M HA 0.243 4.718 4.480 -0.009 0.000 0.333 220 M C 0.743 176.924 176.300 -0.199 0.000 1.111 220 M CA -0.153 54.949 55.300 -0.330 0.000 1.140 220 M CB 0.491 32.993 32.600 -0.163 0.000 1.538 220 M HN 0.546 nan 8.290 nan 0.000 0.448 221 S N 2.022 117.652 115.700 -0.116 0.000 2.603 221 S HA 0.240 4.704 4.470 -0.009 0.000 0.268 221 S C -2.090 172.474 174.600 -0.059 0.000 1.317 221 S CA -1.233 56.914 58.200 -0.087 0.000 1.012 221 S CB 0.609 63.764 63.200 -0.076 0.000 0.926 221 S HN 0.443 nan 8.310 nan 0.000 0.539 222 P HA -0.072 nan 4.420 nan 0.000 0.215 222 P C 1.616 178.929 177.300 0.021 0.000 1.153 222 P CA 1.867 64.956 63.100 -0.018 0.000 0.853 222 P CB -0.240 31.451 31.700 -0.014 0.000 0.788 223 A N 0.056 122.887 122.820 0.019 0.000 1.908 223 A HA -0.169 4.146 4.320 -0.009 0.000 0.218 223 A C 2.342 180.026 177.584 0.167 0.000 1.181 223 A CA 2.299 54.395 52.037 0.098 0.000 0.627 223 A CB -1.633 17.288 19.000 -0.132 0.000 0.818 223 A HN 0.209 nan 8.150 nan 0.000 0.445 224 A N -0.606 122.251 122.820 0.062 0.000 1.902 224 A HA -0.157 4.158 4.320 -0.009 0.000 0.217 224 A C 2.247 179.851 177.584 0.033 0.000 1.181 224 A CA 1.714 53.786 52.037 0.058 0.000 0.623 224 A CB -0.502 18.516 19.000 0.031 0.000 0.818 224 A HN 0.538 nan 8.150 nan 0.000 0.443 225 R N -0.428 120.077 120.500 0.007 0.000 2.091 225 R HA -0.153 4.182 4.340 -0.009 0.000 0.238 225 R C 2.133 178.425 176.300 -0.014 0.000 1.136 225 R CA 1.656 57.744 56.100 -0.019 0.000 0.959 225 R CB -0.194 30.087 30.300 -0.030 0.000 0.856 225 R HN 0.599 nan 8.270 nan 0.000 0.437 226 E N -0.166 120.054 120.200 0.033 0.000 2.051 226 E HA -0.189 4.155 4.350 -0.009 0.000 0.192 226 E C 1.921 178.539 176.600 0.029 0.000 0.991 226 E CA 1.307 57.738 56.400 0.052 0.000 0.799 226 E CB -0.167 29.603 29.700 0.117 0.000 0.748 226 E HN 0.435 nan 8.360 nan 0.000 0.449 227 A N 1.924 124.733 122.820 -0.018 0.000 1.858 227 A HA -0.202 4.112 4.320 -0.009 0.000 0.216 227 A C 1.829 179.408 177.584 -0.008 0.000 1.190 227 A CA 1.875 53.816 52.037 -0.161 0.000 0.617 227 A CB -0.467 18.145 19.000 -0.646 0.000 0.827 227 A HN 0.089 nan 8.150 nan 0.000 0.443 228 D N -0.128 120.242 120.400 -0.050 0.000 2.144 228 D HA -0.067 4.568 4.640 -0.009 0.000 0.199 228 D C 2.264 178.172 176.300 -0.654 0.000 0.984 228 D CA 1.437 55.226 54.000 -0.352 0.000 0.834 228 D CB -0.368 40.340 40.800 -0.154 0.000 0.955 228 D HN 0.368 nan 8.370 nan 0.000 0.465 229 S N 0.330 115.858 115.700 -0.288 0.000 2.368 229 S HA -0.191 4.273 4.470 -0.009 0.000 0.225 229 S C 1.884 176.400 174.600 -0.140 0.000 1.030 229 S CA 1.178 59.254 58.200 -0.207 0.000 0.999 229 S CB -0.006 63.141 63.200 -0.088 0.000 0.844 229 S HN 0.246 nan 8.310 nan 0.000 0.459 230 R N 1.200 121.679 120.500 -0.034 0.000 2.082 230 R HA -0.135 4.200 4.340 -0.009 0.000 0.234 230 R C 2.529 178.927 176.300 0.164 0.000 1.136 230 R CA 2.175 58.338 56.100 0.105 0.000 0.935 230 R CB -0.588 29.845 30.300 0.221 0.000 0.842 230 R HN 0.709 nan 8.270 nan 0.000 0.430 231 W N 0.067 121.446 121.300 0.131 0.000 2.381 231 W HA -0.111 4.543 4.660 -0.010 0.000 0.301 231 W C 1.746 178.366 176.519 0.168 0.000 1.205 231 W CA 0.409 57.843 57.345 0.148 0.000 1.285 231 W CB -0.984 28.549 29.460 0.123 0.000 1.133 231 W HN 0.176 nan 8.180 nan 0.000 0.521 232 I N 2.427 122.755 120.570 -0.404 0.000 2.208 232 I HA -0.169 3.996 4.170 -0.009 0.000 0.245 232 I C 2.830 179.016 176.117 0.115 0.000 1.097 232 I CA 2.551 63.712 61.300 -0.231 0.000 1.363 232 I CB -0.801 36.854 38.000 -0.574 0.000 1.051 232 I HN 0.044 nan 8.210 nan 0.000 0.413 233 G N -0.271 108.563 108.800 0.057 0.000 2.446 233 G HA2 -0.259 3.695 3.960 -0.009 0.000 0.217 233 G HA3 -0.259 3.695 3.960 -0.009 0.000 0.217 233 G C 1.535 176.560 174.900 0.209 0.000 1.168 233 G CA 0.754 45.938 45.100 0.140 0.000 0.771 233 G HN 0.389 nan 8.290 nan 0.000 0.551 234 E N -0.095 120.236 120.200 0.218 0.000 2.058 234 E HA -0.105 4.240 4.350 -0.009 0.000 0.194 234 E C 2.625 179.390 176.600 0.274 0.000 0.997 234 E CA 0.804 57.341 56.400 0.227 0.000 0.801 234 E CB -0.220 29.629 29.700 0.249 0.000 0.746 234 E HN 0.293 nan 8.360 nan 0.000 0.450 235 L N 0.222 121.678 121.223 0.387 0.000 2.141 235 L HA -0.130 4.204 4.340 -0.009 0.000 0.209 235 L C 2.078 179.277 176.870 0.547 0.000 1.094 235 L CA 1.288 56.428 54.840 0.499 0.000 0.763 235 L CB -0.687 41.742 42.059 0.616 0.000 0.908 235 L HN 0.355 nan 8.230 nan 0.000 0.437 236 W N -0.165 121.238 121.300 0.172 0.000 2.418 236 W HA -0.217 4.439 4.660 -0.007 0.000 0.292 236 W C 2.278 178.770 176.519 -0.046 0.000 1.213 236 W CA 0.928 58.108 57.345 -0.275 0.000 1.283 236 W CB 0.125 29.274 29.460 -0.517 0.000 1.119 236 W HN 0.210 nan 8.180 nan 0.000 0.542 237 Q N 1.080 120.851 119.800 -0.049 0.000 2.124 237 Q HA -0.212 4.123 4.340 -0.009 0.000 0.202 237 Q C 1.745 177.718 176.000 -0.045 0.000 0.977 237 Q CA 2.405 58.151 55.803 -0.096 0.000 0.850 237 Q CB -0.792 27.962 28.738 0.027 0.000 0.901 237 Q HN 0.423 nan 8.270 nan 0.000 0.429 238 N N -1.523 117.226 118.700 0.083 0.000 2.166 238 N HA -0.197 4.537 4.740 -0.009 0.000 0.186 238 N C 1.351 176.945 175.510 0.139 0.000 1.019 238 N CA 1.056 54.184 53.050 0.130 0.000 0.856 238 N CB -0.247 38.363 38.487 0.205 0.000 0.993 238 N HN 0.266 nan 8.380 nan 0.000 0.426 239 Y N 1.900 122.192 120.300 -0.014 0.000 2.133 239 Y HA -0.103 4.442 4.550 -0.008 0.000 0.287 239 Y C 1.976 177.734 175.900 -0.236 0.000 1.134 239 Y CA 1.304 59.393 58.100 -0.019 0.000 1.133 239 Y CB -0.436 37.936 38.460 -0.148 0.000 0.987 239 Y HN -0.022 nan 8.280 nan 0.000 0.502 240 L N 0.229 121.297 121.223 -0.259 0.000 1.989 240 L HA -0.297 4.038 4.340 -0.009 0.000 0.211 240 L C 2.104 178.869 176.870 -0.175 0.000 1.071 240 L CA 2.159 56.830 54.840 -0.281 0.000 0.749 240 L CB -0.925 40.888 42.059 -0.410 0.000 0.890 240 L HN 0.356 nan 8.230 nan 0.000 0.431 241 N N -0.952 117.671 118.700 -0.128 0.000 2.137 241 N HA -0.188 4.547 4.740 -0.009 0.000 0.190 241 N C 1.604 177.041 175.510 -0.122 0.000 1.017 241 N CA 1.802 54.797 53.050 -0.091 0.000 0.859 241 N CB -0.140 38.322 38.487 -0.043 0.000 1.002 241 N HN 0.348 nan 8.380 nan 0.000 0.428 242 T N 0.240 114.712 114.554 -0.136 0.000 2.812 242 T HA -0.039 4.306 4.350 -0.009 0.000 0.264 242 T C 2.159 176.610 174.700 -0.414 0.000 1.042 242 T CA 0.686 62.651 62.100 -0.226 0.000 1.140 242 T CB -0.174 68.603 68.868 -0.151 0.000 0.870 242 T HN 0.011 nan 8.240 nan 0.000 0.445 243 V N 1.676 121.340 119.914 -0.417 0.000 2.323 243 V HA -0.061 4.054 4.120 -0.009 0.000 0.244 243 V C 2.932 178.854 176.094 -0.286 0.000 1.041 243 V CA 1.376 63.407 62.300 -0.449 0.000 1.025 243 V CB -1.267 30.351 31.823 -0.342 0.000 0.656 243 V HN 0.498 nan 8.190 nan 0.000 0.451 244 A N 0.493 123.203 122.820 -0.185 0.000 1.884 244 A HA -0.297 4.018 4.320 -0.009 0.000 0.219 244 A C 2.438 179.926 177.584 -0.159 0.000 1.197 244 A CA 2.799 54.758 52.037 -0.130 0.000 0.637 244 A CB -1.020 17.924 19.000 -0.094 0.000 0.827 244 A HN 0.610 nan 8.150 nan 0.000 0.450 245 A N -0.184 122.524 122.820 -0.186 0.000 1.877 245 A HA -0.210 4.105 4.320 -0.009 0.000 0.216 245 A C 1.871 179.321 177.584 -0.223 0.000 1.186 245 A CA 1.926 53.858 52.037 -0.176 0.000 0.620 245 A CB -0.715 18.189 19.000 -0.160 0.000 0.822 245 A HN 0.565 nan 8.150 nan 0.000 0.443 246 N N -0.446 118.047 118.700 -0.345 0.000 2.205 246 N HA -0.102 4.633 4.740 -0.009 0.000 0.186 246 N C 1.528 176.861 175.510 -0.294 0.000 1.015 246 N CA 1.019 53.822 53.050 -0.412 0.000 0.862 246 N CB -0.222 37.839 38.487 -0.710 0.000 0.986 246 N HN 0.328 nan 8.380 nan 0.000 0.429 247 R N 0.239 120.597 120.500 -0.237 0.000 2.308 247 R HA 0.187 4.522 4.340 -0.009 0.000 0.202 247 R C -0.064 176.162 176.300 -0.124 0.000 0.898 247 R CA 0.019 56.019 56.100 -0.167 0.000 1.046 247 R CB 0.110 30.338 30.300 -0.119 0.000 1.026 247 R HN 0.163 nan 8.270 nan 0.000 0.512 248 Q N 0.330 120.056 119.800 -0.123 0.000 2.481 248 Q HA -0.166 4.169 4.340 -0.009 0.000 0.283 248 Q C -0.143 175.812 176.000 -0.076 0.000 1.292 248 Q CA 1.082 56.828 55.803 -0.095 0.000 0.819 248 Q CB -2.502 26.184 28.738 -0.087 0.000 1.202 248 Q HN 0.535 nan 8.270 nan 0.000 0.446 249 I N -4.518 116.009 120.570 -0.073 0.000 2.969 249 I HA 0.760 4.925 4.170 -0.009 0.000 0.307 249 I C -2.513 173.575 176.117 -0.048 0.000 1.149 249 I CA -3.034 58.232 61.300 -0.056 0.000 1.008 249 I CB 2.193 40.162 38.000 -0.052 0.000 1.232 249 I HN -0.307 nan 8.210 nan 0.000 0.435 250 P HA 0.176 nan 4.420 nan 0.000 0.269 250 P C 0.365 177.654 177.300 -0.019 0.000 1.215 250 P CA -0.206 62.877 63.100 -0.028 0.000 0.780 250 P CB 0.989 32.677 31.700 -0.021 0.000 0.898 251 A N 2.155 124.964 122.820 -0.018 0.000 1.972 251 A HA -0.203 4.111 4.320 -0.009 0.000 0.219 251 A C 1.962 179.566 177.584 0.033 0.000 1.169 251 A CA 1.773 53.803 52.037 -0.010 0.000 0.635 251 A CB -1.195 17.786 19.000 -0.031 0.000 0.810 251 A HN 0.724 nan 8.150 nan 0.000 0.446 252 E N -0.353 119.865 120.200 0.030 0.000 2.409 252 E HA -0.233 4.112 4.350 -0.009 0.000 0.198 252 E C 1.887 178.506 176.600 0.032 0.000 1.024 252 E CA 1.240 57.665 56.400 0.041 0.000 0.861 252 E CB -0.161 29.552 29.700 0.021 0.000 0.788 252 E HN 0.799 nan 8.360 nan 0.000 0.521 253 Q N -0.075 119.738 119.800 0.021 0.000 2.297 253 Q HA -0.013 4.321 4.340 -0.009 0.000 0.203 253 Q C 2.024 178.045 176.000 0.036 0.000 0.931 253 Q CA 0.561 56.367 55.803 0.004 0.000 0.885 253 Q CB 0.367 29.088 28.738 -0.028 0.000 0.991 253 Q HN 0.253 nan 8.270 nan 0.000 0.498 254 V N 0.596 120.552 119.914 0.070 0.000 2.332 254 V HA -0.153 3.961 4.120 -0.009 0.000 0.248 254 V C 0.585 176.857 176.094 0.297 0.000 1.055 254 V CA 1.622 64.007 62.300 0.141 0.000 1.038 254 V CB -0.247 31.647 31.823 0.118 0.000 0.651 254 V HN 0.432 nan 8.190 nan 0.000 0.450 255 F N 1.079 121.092 119.950 0.104 0.000 3.287 255 F HA 0.444 4.965 4.527 -0.010 0.000 0.379 255 F C -2.345 173.545 175.800 0.149 0.000 1.268 255 F CA -1.881 56.223 58.000 0.172 0.000 1.220 255 F CB 1.543 40.705 39.000 0.270 0.000 1.687 255 F HN -0.080 nan 8.300 nan 0.000 0.648 256 P HA 0.232 nan 4.420 nan 0.000 0.242 256 P C 0.541 177.641 177.300 -0.334 0.000 1.197 256 P CA 1.215 64.181 63.100 -0.224 0.000 0.765 256 P CB 0.055 31.682 31.700 -0.122 0.000 0.936 257 G N -0.080 108.267 108.800 -0.756 0.000 2.661 257 G HA2 -0.024 3.930 3.960 -0.009 0.000 0.685 257 G HA3 -0.024 3.930 3.960 -0.009 0.000 0.685 257 G C 0.782 175.351 174.900 -0.552 0.000 1.298 257 G CA -0.393 44.412 45.100 -0.492 0.000 0.855 257 G HN 0.174 nan 8.290 nan 0.000 0.560 258 A N -0.718 121.985 122.820 -0.196 0.000 1.972 258 A HA 0.012 4.326 4.320 -0.009 0.000 0.219 258 A C 2.329 179.847 177.584 -0.110 0.000 1.169 258 A CA 2.427 54.407 52.037 -0.094 0.000 0.635 258 A CB -0.348 18.654 19.000 0.004 0.000 0.810 258 A HN 0.730 nan 8.150 nan 0.000 0.446 259 Q N -0.628 119.111 119.800 -0.101 0.000 2.049 259 Q HA -0.079 4.255 4.340 -0.009 0.000 0.198 259 Q C 2.283 178.232 176.000 -0.085 0.000 0.971 259 Q CA 1.460 57.219 55.803 -0.073 0.000 0.833 259 Q CB -0.935 27.772 28.738 -0.052 0.000 0.896 259 Q HN 0.615 nan 8.270 nan 0.000 0.434 260 G N 1.635 110.366 108.800 -0.115 0.000 2.440 260 G HA2 -0.246 3.708 3.960 -0.009 0.000 0.218 260 G HA3 -0.246 3.708 3.960 -0.009 0.000 0.218 260 G C 1.490 176.336 174.900 -0.090 0.000 1.154 260 G CA 0.770 45.814 45.100 -0.093 0.000 0.767 260 G HN 0.260 nan 8.290 nan 0.000 0.552 261 L N 0.432 121.546 121.223 -0.182 0.000 2.046 261 L HA 0.104 4.439 4.340 -0.009 0.000 0.208 261 L C 2.574 179.320 176.870 -0.207 0.000 1.077 261 L CA 1.237 55.934 54.840 -0.237 0.000 0.747 261 L CB -0.562 41.355 42.059 -0.237 0.000 0.896 261 L HN 0.204 nan 8.230 nan 0.000 0.432 262 L N -0.600 120.545 121.223 -0.129 0.000 2.046 262 L HA -0.260 4.074 4.340 -0.009 0.000 0.208 262 L C 2.505 179.336 176.870 -0.065 0.000 1.077 262 L CA 2.054 56.840 54.840 -0.091 0.000 0.747 262 L CB -0.264 41.757 42.059 -0.063 0.000 0.896 262 L HN 0.536 nan 8.230 nan 0.000 0.432 263 E N -0.391 119.781 120.200 -0.046 0.000 2.012 263 E HA -0.218 4.127 4.350 -0.009 0.000 0.197 263 E C 2.003 178.614 176.600 0.018 0.000 1.007 263 E CA 1.471 57.864 56.400 -0.011 0.000 0.816 263 E CB -0.445 29.253 29.700 -0.004 0.000 0.762 263 E HN 0.473 nan 8.360 nan 0.000 0.451 264 G N 0.653 109.492 108.800 0.065 0.000 2.475 264 G HA2 -0.241 3.714 3.960 -0.009 0.000 0.220 264 G HA3 -0.241 3.714 3.960 -0.009 0.000 0.220 264 G C 1.442 176.429 174.900 0.145 0.000 1.125 264 G CA 0.925 46.153 45.100 0.213 0.000 0.755 264 G HN 0.231 nan 8.290 nan 0.000 0.565 265 L N 0.430 121.627 121.223 -0.043 0.000 2.168 265 L HA 0.131 4.465 4.340 -0.009 0.000 0.203 265 L C 3.053 179.914 176.870 -0.015 0.000 1.078 265 L CA 1.618 56.417 54.840 -0.068 0.000 0.780 265 L CB -1.055 40.901 42.059 -0.171 0.000 0.939 265 L HN 0.141 nan 8.230 nan 0.000 0.451 266 T N -0.334 114.211 114.554 -0.016 0.000 2.665 266 T HA -0.250 4.095 4.350 -0.009 0.000 0.268 266 T C 1.718 176.426 174.700 0.014 0.000 1.035 266 T CA 1.344 63.443 62.100 -0.003 0.000 1.151 266 T CB -0.185 68.679 68.868 -0.007 0.000 0.862 266 T HN 0.241 nan 8.240 nan 0.000 0.438 267 K N 0.288 120.705 120.400 0.028 0.000 2.589 267 K HA -0.015 4.299 4.320 -0.009 0.000 0.195 267 K C 1.693 178.319 176.600 0.043 0.000 1.040 267 K CA 0.821 57.130 56.287 0.036 0.000 0.950 267 K CB -0.006 32.522 32.500 0.046 0.000 0.781 267 K HN 0.198 nan 8.250 nan 0.000 0.486 268 T N -1.674 112.908 114.554 0.046 0.000 3.009 268 T HA 0.151 4.496 4.350 -0.009 0.000 0.267 268 T C 0.528 175.251 174.700 0.039 0.000 0.942 268 T CA 0.600 62.733 62.100 0.055 0.000 0.883 268 T CB 0.731 69.656 68.868 0.093 0.000 1.192 268 T HN 0.376 nan 8.240 nan 0.000 0.524 269 G N 1.085 109.900 108.800 0.026 0.000 2.182 269 G HA2 0.049 4.004 3.960 -0.009 0.000 0.248 269 G HA3 0.049 4.004 3.960 -0.009 0.000 0.248 269 G C 0.955 175.865 174.900 0.015 0.000 1.042 269 G CA 0.376 45.487 45.100 0.018 0.000 0.775 269 G HN 1.425 nan 8.290 nan 0.000 0.501 270 G N -0.747 108.058 108.800 0.009 0.000 2.160 270 G HA2 -0.080 3.875 3.960 -0.009 0.000 0.251 270 G HA3 -0.080 3.875 3.960 -0.009 0.000 0.251 270 G C 0.025 174.934 174.900 0.015 0.000 1.008 270 G CA 0.984 46.085 45.100 0.001 0.000 0.724 270 G HN 1.742 nan 8.290 nan 0.000 0.514 271 D N 0.340 120.761 120.400 0.034 0.000 2.443 271 D HA 0.503 5.138 4.640 -0.009 0.000 0.221 271 D C 1.844 178.193 176.300 0.083 0.000 1.097 271 D CA 0.446 54.479 54.000 0.054 0.000 0.865 271 D CB 0.542 41.377 40.800 0.058 0.000 1.034 271 D HN 0.214 nan 8.370 nan 0.000 0.511 272 T N 1.094 115.694 114.554 0.076 0.000 2.821 272 T HA -0.117 4.227 4.350 -0.009 0.000 0.267 272 T C 1.927 176.732 174.700 0.175 0.000 1.046 272 T CA 0.860 63.023 62.100 0.106 0.000 1.139 272 T CB -0.263 68.650 68.868 0.076 0.000 0.871 272 T HN 0.285 nan 8.240 nan 0.000 0.454 273 A N 1.847 124.751 122.820 0.141 0.000 1.902 273 A HA -0.018 4.296 4.320 -0.009 0.000 0.217 273 A C 2.434 180.097 177.584 0.132 0.000 1.181 273 A CA 1.830 53.952 52.037 0.143 0.000 0.623 273 A CB -0.737 18.336 19.000 0.123 0.000 0.818 273 A HN 0.564 nan 8.150 nan 0.000 0.443 274 K N -1.740 118.733 120.400 0.121 0.000 2.026 274 K HA -0.187 4.127 4.320 -0.009 0.000 0.208 274 K C 1.915 178.583 176.600 0.114 0.000 1.048 274 K CA 1.667 58.014 56.287 0.100 0.000 0.929 274 K CB -0.398 32.153 32.500 0.085 0.000 0.713 274 K HN 0.569 nan 8.250 nan 0.000 0.439 275 Y N 0.892 121.210 120.300 0.030 0.000 2.040 275 Y HA -0.363 4.182 4.550 -0.008 0.000 0.275 275 Y C 2.014 177.929 175.900 0.025 0.000 1.171 275 Y CA 2.136 60.250 58.100 0.023 0.000 1.123 275 Y CB -0.503 37.971 38.460 0.024 0.000 0.963 275 Y HN 0.153 nan 8.280 nan 0.000 0.493 276 A N -0.140 122.762 122.820 0.136 0.000 1.940 276 A HA -0.210 4.105 4.320 -0.009 0.000 0.219 276 A C 2.165 179.724 177.584 -0.043 0.000 1.176 276 A CA 1.915 53.971 52.037 0.033 0.000 0.631 276 A CB -1.126 17.963 19.000 0.149 0.000 0.814 276 A HN 0.606 nan 8.150 nan 0.000 0.446 277 L N -0.415 120.806 121.223 -0.003 0.000 2.095 277 L HA 0.014 4.349 4.340 -0.009 0.000 0.204 277 L C 2.078 178.917 176.870 -0.051 0.000 1.080 277 L CA 2.088 56.923 54.840 -0.008 0.000 0.759 277 L CB -0.487 41.589 42.059 0.028 0.000 0.914 277 L HN 0.468 nan 8.230 nan 0.000 0.439 278 E N -0.527 119.629 120.200 -0.073 0.000 2.152 278 E HA -0.099 4.245 4.350 -0.009 0.000 0.192 278 E C 1.158 177.672 176.600 -0.144 0.000 0.983 278 E CA 0.835 57.182 56.400 -0.089 0.000 0.818 278 E CB -0.078 29.585 29.700 -0.062 0.000 0.758 278 E HN 0.553 nan 8.360 nan 0.000 0.467 279 N N 0.585 119.132 118.700 -0.254 0.000 2.398 279 N HA -0.010 4.725 4.740 -0.009 0.000 0.188 279 N C 0.117 175.525 175.510 -0.169 0.000 1.122 279 N CA 0.337 53.225 53.050 -0.270 0.000 0.866 279 N CB 0.558 38.750 38.487 -0.492 0.000 0.970 279 N HN -0.005 nan 8.380 nan 0.000 0.462 280 K N -0.530 119.797 120.400 -0.121 0.000 3.509 280 K HA -0.107 4.207 4.320 -0.009 0.000 0.302 280 K C 0.991 177.566 176.600 -0.041 0.000 1.355 280 K CA 0.199 56.441 56.287 -0.075 0.000 0.953 280 K CB -1.671 30.785 32.500 -0.073 0.000 1.321 280 K HN 0.117 nan 8.250 nan 0.000 0.461 281 L N -0.775 120.429 121.223 -0.031 0.000 2.127 281 L HA -0.082 4.252 4.340 -0.009 0.000 0.211 281 L C 1.167 178.110 176.870 0.121 0.000 1.089 281 L CA 1.086 55.968 54.840 0.069 0.000 0.757 281 L CB -0.324 41.720 42.059 -0.025 0.000 0.899 281 L HN 0.037 nan 8.230 nan 0.000 0.434 282 V N -0.967 118.974 119.914 0.044 0.000 3.074 282 V HA 0.198 4.313 4.120 -0.009 0.000 0.314 282 V C -0.007 176.069 176.094 -0.029 0.000 1.117 282 V CA -0.562 61.760 62.300 0.037 0.000 1.014 282 V CB 2.596 34.478 31.823 0.099 0.000 1.057 282 V HN 0.022 nan 8.190 nan 0.000 0.438 283 D N 1.093 121.441 120.400 -0.086 0.000 2.422 283 D HA 0.428 5.063 4.640 -0.009 0.000 0.218 283 D C 0.204 176.424 176.300 -0.134 0.000 1.047 283 D CA 0.958 54.870 54.000 -0.146 0.000 0.885 283 D CB 1.571 42.222 40.800 -0.248 0.000 1.035 283 D HN 0.616 nan 8.370 nan 0.000 0.502 284 A N 0.377 123.133 122.820 -0.107 0.000 2.605 284 A HA 0.603 4.917 4.320 -0.009 0.000 0.294 284 A C -1.784 175.902 177.584 0.169 0.000 1.062 284 A CA -0.608 51.430 52.037 0.003 0.000 0.682 284 A CB 0.944 19.915 19.000 -0.048 0.000 1.278 284 A HN 0.023 nan 8.150 nan 0.000 0.410 285 L N 0.979 122.316 121.223 0.191 0.000 2.313 285 L HA 0.831 5.165 4.340 -0.009 0.000 0.283 285 L C 0.217 177.215 176.870 0.213 0.000 1.013 285 L CA -0.399 54.563 54.840 0.203 0.000 0.816 285 L CB 1.660 43.801 42.059 0.137 0.000 1.236 285 L HN 1.081 nan 8.230 nan 0.000 0.419 286 A N 1.797 124.743 122.820 0.209 0.000 2.605 286 A HA 0.643 4.957 4.320 -0.009 0.000 0.294 286 A C -0.488 177.143 177.584 0.078 0.000 1.062 286 A CA -0.441 51.674 52.037 0.131 0.000 0.682 286 A CB 1.906 20.975 19.000 0.115 0.000 1.278 286 A HN 0.644 nan 8.150 nan 0.000 0.410 287 S N 0.267 115.991 115.700 0.040 0.000 2.655 287 S HA 0.417 4.882 4.470 -0.009 0.000 0.265 287 S C 1.468 176.063 174.600 -0.008 0.000 1.240 287 S CA 0.628 58.842 58.200 0.024 0.000 0.986 287 S CB 1.228 64.440 63.200 0.021 0.000 0.985 287 S HN 1.957 nan 8.310 nan 0.000 0.562 288 S N 1.184 116.883 115.700 -0.002 0.000 2.382 288 S HA -0.097 4.368 4.470 -0.009 0.000 0.228 288 S C 1.971 176.556 174.600 -0.026 0.000 1.027 288 S CA 1.360 59.552 58.200 -0.014 0.000 0.991 288 S CB -1.237 61.969 63.200 0.011 0.000 0.823 288 S HN 1.092 nan 8.310 nan 0.000 0.469 289 A N 0.572 123.386 122.820 -0.010 0.000 2.119 289 A HA 0.068 4.383 4.320 -0.009 0.000 0.217 289 A C 1.928 179.492 177.584 -0.032 0.000 1.153 289 A CA 1.168 53.202 52.037 -0.006 0.000 0.692 289 A CB -0.372 18.630 19.000 0.004 0.000 0.799 289 A HN 0.767 nan 8.150 nan 0.000 0.458 290 E N -0.304 119.864 120.200 -0.054 0.000 2.075 290 E HA 0.022 4.367 4.350 -0.009 0.000 0.190 290 E C 1.717 178.212 176.600 -0.174 0.000 0.969 290 E CA 0.605 56.958 56.400 -0.078 0.000 0.815 290 E CB -0.235 29.439 29.700 -0.043 0.000 0.776 290 E HN 0.591 nan 8.360 nan 0.000 0.457 291 I N 1.960 122.367 120.570 -0.272 0.000 2.113 291 I HA -0.366 3.798 4.170 -0.009 0.000 0.242 291 I C 2.727 178.578 176.117 -0.444 0.000 1.064 291 I CA 1.619 62.584 61.300 -0.559 0.000 1.320 291 I CB -0.261 37.410 38.000 -0.548 0.000 1.028 291 I HN 0.189 nan 8.210 nan 0.000 0.406 292 E N 1.380 121.449 120.200 -0.218 0.000 2.068 292 E HA -0.358 3.987 4.350 -0.009 0.000 0.207 292 E C 2.244 178.804 176.600 -0.066 0.000 1.032 292 E CA 2.161 58.522 56.400 -0.065 0.000 0.839 292 E CB -0.157 29.588 29.700 0.075 0.000 0.758 292 E HN 0.299 nan 8.360 nan 0.000 0.457 293 K N -0.190 120.164 120.400 -0.076 0.000 2.001 293 K HA -0.230 4.084 4.320 -0.009 0.000 0.214 293 K C 2.169 178.707 176.600 -0.103 0.000 1.050 293 K CA 1.527 57.776 56.287 -0.065 0.000 0.934 293 K CB -0.383 32.077 32.500 -0.067 0.000 0.718 293 K HN 0.257 nan 8.250 nan 0.000 0.443 294 A N 1.046 123.753 122.820 -0.187 0.000 1.978 294 A HA -0.153 4.161 4.320 -0.009 0.000 0.220 294 A C 2.111 179.526 177.584 -0.282 0.000 1.170 294 A CA 1.416 53.331 52.037 -0.205 0.000 0.636 294 A CB -0.465 18.382 19.000 -0.255 0.000 0.810 294 A HN 0.358 nan 8.150 nan 0.000 0.448 295 L N -1.183 119.801 121.223 -0.399 0.000 2.270 295 L HA -0.057 4.277 4.340 -0.009 0.000 0.210 295 L C 2.836 179.631 176.870 -0.124 0.000 1.104 295 L CA 1.473 56.052 54.840 -0.435 0.000 0.804 295 L CB -0.325 41.212 42.059 -0.871 0.000 0.937 295 L HN 0.573 nan 8.230 nan 0.000 0.450 296 T N -1.217 113.346 114.554 0.015 0.000 3.023 296 T HA -0.187 4.158 4.350 -0.009 0.000 0.266 296 T C 1.865 176.650 174.700 0.142 0.000 1.093 296 T CA 1.068 63.313 62.100 0.242 0.000 1.129 296 T CB 0.056 69.195 68.868 0.451 0.000 0.899 296 T HN 0.208 nan 8.240 nan 0.000 0.491 297 K N 0.269 120.686 120.400 0.028 0.000 2.026 297 K HA -0.153 4.161 4.320 -0.009 0.000 0.208 297 K C 2.326 178.904 176.600 -0.036 0.000 1.048 297 K CA 1.823 58.110 56.287 0.000 0.000 0.929 297 K CB -0.191 32.294 32.500 -0.025 0.000 0.713 297 K HN 0.328 nan 8.250 nan 0.000 0.439 298 E N -0.593 119.523 120.200 -0.139 0.000 2.152 298 E HA -0.090 4.254 4.350 -0.009 0.000 0.192 298 E C 0.981 177.336 176.600 -0.408 0.000 0.983 298 E CA 1.310 57.509 56.400 -0.335 0.000 0.818 298 E CB 0.088 29.434 29.700 -0.590 0.000 0.758 298 E HN 0.371 nan 8.360 nan 0.000 0.467 299 F N -0.836 119.166 119.950 0.088 0.000 2.728 299 F HA 0.430 4.952 4.527 -0.009 0.000 0.314 299 F C 0.910 176.805 175.800 0.157 0.000 1.094 299 F CA 0.410 58.498 58.000 0.148 0.000 1.217 299 F CB 0.890 40.022 39.000 0.221 0.000 1.056 299 F HN 0.092 nan 8.300 nan 0.000 0.577 300 G N 0.445 109.418 108.800 0.289 0.000 2.755 300 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.686 300 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.686 300 G C -0.881 174.217 174.900 0.329 0.000 1.427 300 G CA -0.770 44.489 45.100 0.265 0.000 0.873 300 G HN 0.316 nan 8.290 nan 0.000 0.580 301 W N 3.223 124.590 121.300 0.113 0.000 2.335 301 W HA 0.617 5.271 4.660 -0.009 0.000 0.307 301 W C 0.389 176.947 176.519 0.065 0.000 1.117 301 W CA -0.303 57.099 57.345 0.096 0.000 1.228 301 W CB 1.641 31.142 29.460 0.069 0.000 1.240 301 W HN 0.922 nan 8.180 nan 0.000 0.468 302 S N 5.432 120.803 115.700 -0.549 0.000 2.448 302 S HA 0.096 4.560 4.470 -0.009 0.000 0.279 302 S C 1.034 175.264 174.600 -0.617 0.000 1.195 302 S CA -0.118 57.810 58.200 -0.452 0.000 1.051 302 S CB 1.087 64.063 63.200 -0.374 0.000 0.948 302 S HN 0.700 nan 8.310 nan 0.000 0.493 303 K N 2.783 123.082 120.400 -0.169 0.000 2.155 303 K HA -0.044 4.271 4.320 -0.009 0.000 0.203 303 K C 1.734 178.320 176.600 -0.024 0.000 1.052 303 K CA 1.637 57.953 56.287 0.049 0.000 0.948 303 K CB -0.117 32.472 32.500 0.148 0.000 0.728 303 K HN 0.765 nan 8.250 nan 0.000 0.448 304 T N 0.355 114.860 114.554 -0.082 0.000 2.812 304 T HA -0.059 4.285 4.350 -0.009 0.000 0.264 304 T C 1.065 175.700 174.700 -0.109 0.000 1.042 304 T CA 1.062 63.121 62.100 -0.068 0.000 1.140 304 T CB -0.057 68.774 68.868 -0.061 0.000 0.870 304 T HN 0.100 nan 8.240 nan 0.000 0.445 305 D N 0.316 120.594 120.400 -0.202 0.000 2.360 305 D HA 0.100 4.734 4.640 -0.009 0.000 0.210 305 D C 0.236 176.361 176.300 -0.292 0.000 1.047 305 D CA 0.142 54.004 54.000 -0.229 0.000 0.854 305 D CB 0.124 40.771 40.800 -0.255 0.000 0.936 305 D HN 0.074 nan 8.370 nan 0.000 0.514 306 K N 1.178 121.358 120.400 -0.367 0.000 3.257 306 K HA -0.189 4.125 4.320 -0.009 0.000 0.270 306 K C -0.381 175.799 176.600 -0.699 0.000 0.984 306 K CA 0.394 56.509 56.287 -0.287 0.000 0.739 306 K CB -1.785 30.757 32.500 0.069 0.000 1.351 306 K HN 0.248 nan 8.250 nan 0.000 0.463 307 N N -0.448 117.323 118.700 -1.548 0.000 3.127 307 N HA 0.123 4.857 4.740 -0.009 0.000 0.239 307 N C -0.948 173.993 175.510 -0.949 0.000 1.407 307 N CA -0.791 51.626 53.050 -1.055 0.000 0.891 307 N CB 0.783 38.953 38.487 -0.527 0.000 1.447 307 N HN 0.111 nan 8.380 nan 0.000 0.507 308 Y N 0.538 120.665 120.300 -0.288 0.000 2.683 308 Y HA 0.287 4.831 4.550 -0.009 0.000 0.340 308 Y C 0.574 176.397 175.900 -0.129 0.000 1.245 308 Y CA -0.274 57.794 58.100 -0.053 0.000 1.485 308 Y CB 0.372 38.896 38.460 0.107 0.000 1.328 308 Y HN 0.207 nan 8.280 nan 0.000 0.603 309 R N 3.028 123.570 120.500 0.070 0.000 2.399 309 R HA 0.516 4.851 4.340 -0.009 0.000 0.324 309 R C -0.669 175.569 176.300 -0.103 0.000 1.030 309 R CA 0.599 56.676 56.100 -0.037 0.000 0.984 309 R CB -0.216 30.139 30.300 0.091 0.000 0.961 309 R HN 0.878 nan 8.270 nan 0.000 0.433 310 A N 3.716 126.382 122.820 -0.258 0.000 2.601 310 A HA 0.627 4.942 4.320 -0.009 0.000 0.291 310 A C -1.506 175.955 177.584 -0.204 0.000 1.075 310 A CA -0.724 51.142 52.037 -0.285 0.000 0.671 310 A CB 1.621 20.314 19.000 -0.512 0.000 1.277 310 A HN 0.670 nan 8.150 nan 0.000 0.417 311 I N 0.555 121.038 120.570 -0.145 0.000 2.607 311 I HA 0.553 4.718 4.170 -0.009 0.000 0.290 311 I C -0.035 176.047 176.117 -0.059 0.000 1.129 311 I CA -0.313 60.944 61.300 -0.072 0.000 1.042 311 I CB 2.056 40.068 38.000 0.018 0.000 1.242 311 I HN 0.726 nan 8.210 nan 0.000 0.421 312 S N 4.822 120.514 115.700 -0.013 0.000 2.564 312 S HA 0.042 4.506 4.470 -0.009 0.000 0.278 312 S C 0.984 175.609 174.600 0.043 0.000 1.333 312 S CA 0.143 58.367 58.200 0.039 0.000 1.048 312 S CB 0.446 63.724 63.200 0.130 0.000 0.900 312 S HN 0.664 nan 8.310 nan 0.000 0.505 313 Y N 5.715 125.921 120.300 -0.156 0.000 2.144 313 Y HA -0.324 4.220 4.550 -0.009 0.000 0.277 313 Y C 1.147 176.919 175.900 -0.214 0.000 1.229 313 Y CA 2.424 60.367 58.100 -0.261 0.000 1.144 313 Y CB -0.809 37.349 38.460 -0.502 0.000 0.953 313 Y HN 0.894 nan 8.280 nan 0.000 0.515 314 Y N 0.029 120.257 120.300 -0.119 0.000 2.439 314 Y HA -0.117 4.428 4.550 -0.009 0.000 0.292 314 Y C 1.976 177.783 175.900 -0.154 0.000 1.130 314 Y CA 1.452 59.426 58.100 -0.209 0.000 1.254 314 Y CB -0.165 38.271 38.460 -0.039 0.000 1.000 314 Y HN 0.242 nan 8.280 nan 0.000 0.554 315 D N -2.327 118.092 120.400 0.031 0.000 2.417 315 D HA -0.051 4.584 4.640 -0.009 0.000 0.207 315 D C -0.315 175.994 176.300 0.016 0.000 1.075 315 D CA 0.115 54.129 54.000 0.022 0.000 0.851 315 D CB -0.028 40.794 40.800 0.037 0.000 0.976 315 D HN 0.235 nan 8.370 nan 0.000 0.505 316 Y N 2.438 122.664 120.300 -0.124 0.000 2.452 316 Y HA 0.402 4.946 4.550 -0.009 0.000 0.348 316 Y C -0.066 175.766 175.900 -0.113 0.000 0.985 316 Y CA -1.121 56.921 58.100 -0.096 0.000 1.214 316 Y CB 0.493 38.910 38.460 -0.073 0.000 1.136 316 Y HN -0.157 nan 8.280 nan 0.000 0.523 317 A N 7.443 130.003 122.820 -0.433 0.000 2.444 317 A HA 0.293 4.607 4.320 -0.009 0.000 0.273 317 A C -0.743 176.623 177.584 -0.363 0.000 1.136 317 A CA -0.564 51.279 52.037 -0.323 0.000 0.799 317 A CB -0.306 18.552 19.000 -0.237 0.000 1.081 317 A HN 0.828 nan 8.150 nan 0.000 0.509 318 L N 2.886 124.012 121.223 -0.161 0.000 2.360 318 L HA 0.276 4.610 4.340 -0.009 0.000 0.276 318 L C 0.348 177.186 176.870 -0.053 0.000 1.121 318 L CA 0.369 55.174 54.840 -0.057 0.000 0.845 318 L CB 0.341 42.425 42.059 0.042 0.000 1.143 318 L HN 0.634 nan 8.230 nan 0.000 0.452 319 K N 2.869 123.245 120.400 -0.040 0.000 2.322 319 K HA 0.226 4.540 4.320 -0.009 0.000 0.283 319 K C -0.108 176.496 176.600 0.007 0.000 1.042 319 K CA -0.098 56.171 56.287 -0.030 0.000 0.958 319 K CB 0.449 32.931 32.500 -0.031 0.000 0.984 319 K HN 0.779 nan 8.250 nan 0.000 0.473 320 T N 2.398 116.952 114.554 0.000 0.000 2.784 320 T HA 0.150 4.495 4.350 -0.009 0.000 0.291 320 T C -1.989 172.713 174.700 0.004 0.000 0.942 320 T CA -1.623 60.488 62.100 0.018 0.000 1.161 320 T CB -0.049 68.821 68.868 0.004 0.000 0.885 320 T HN 0.291 nan 8.240 nan 0.000 0.534 321 P HA 0.350 nan 4.420 nan 0.000 0.268 321 P C 0.091 177.346 177.300 -0.075 0.000 1.208 321 P CA -0.504 62.604 63.100 0.014 0.000 0.777 321 P CB 0.114 31.864 31.700 0.083 0.000 0.875 322 A N 1.524 124.287 122.820 -0.095 0.000 2.555 322 A HA 0.023 4.337 4.320 -0.009 0.000 0.233 322 A C 0.428 177.795 177.584 -0.363 0.000 1.060 322 A CA 0.218 52.150 52.037 -0.175 0.000 0.759 322 A CB -0.267 18.660 19.000 -0.122 0.000 0.995 322 A HN 0.593 nan 8.150 nan 0.000 0.506 323 D N 1.400 121.513 120.400 -0.478 0.000 2.274 323 D HA 0.299 4.934 4.640 -0.009 0.000 0.239 323 D C 0.667 176.597 176.300 -0.616 0.000 1.104 323 D CA 0.009 53.489 54.000 -0.866 0.000 0.840 323 D CB 1.290 41.657 40.800 -0.721 0.000 1.100 323 D HN 0.462 nan 8.370 nan 0.000 0.477 324 T N 1.617 115.720 114.554 -0.751 0.000 2.925 324 T HA 0.253 4.597 4.350 -0.009 0.000 0.245 324 T C 0.619 175.319 174.700 -0.000 0.000 1.025 324 T CA 0.755 62.739 62.100 -0.193 0.000 1.149 324 T CB -0.174 68.736 68.868 0.069 0.000 0.866 324 T HN 0.769 nan 8.240 nan 0.000 0.437 325 G N 2.253 111.192 108.800 0.231 0.000 3.313 325 G HA2 0.134 4.089 3.960 -0.009 0.000 0.563 325 G HA3 0.134 4.089 3.960 -0.009 0.000 0.563 325 G C -1.010 174.041 174.900 0.251 0.000 1.037 325 G CA -0.265 44.996 45.100 0.268 0.000 0.848 325 G HN 0.437 nan 8.290 nan 0.000 0.416 326 D N -1.083 119.478 120.400 0.270 0.000 2.904 326 D HA 0.192 4.827 4.640 -0.009 0.000 0.180 326 D C 0.214 176.588 176.300 0.124 0.000 1.164 326 D CA 1.253 55.351 54.000 0.164 0.000 0.726 326 D CB -1.098 39.784 40.800 0.136 0.000 0.544 326 D HN 1.502 nan 8.370 nan 0.000 0.307 327 S N 0.634 116.278 115.700 -0.093 0.000 2.566 327 S HA 0.881 5.346 4.470 -0.009 0.000 0.298 327 S C -0.116 174.306 174.600 -0.297 0.000 1.083 327 S CA -0.910 56.982 58.200 -0.514 0.000 0.978 327 S CB 1.962 64.608 63.200 -0.922 0.000 1.073 327 S HN 0.297 nan 8.310 nan 0.000 0.491 328 I N 1.920 122.322 120.570 -0.280 0.000 2.354 328 I HA 0.479 4.644 4.170 -0.009 0.000 0.292 328 I C 0.813 176.844 176.117 -0.145 0.000 0.989 328 I CA -0.748 60.481 61.300 -0.119 0.000 1.188 328 I CB 1.570 39.567 38.000 -0.006 0.000 1.342 328 I HN 0.917 nan 8.210 nan 0.000 0.457 329 G N 5.545 114.284 108.800 -0.101 0.000 2.372 329 G HA2 0.515 4.470 3.960 -0.009 0.000 0.283 329 G HA3 0.515 4.470 3.960 -0.009 0.000 0.283 329 G C -0.611 174.247 174.900 -0.071 0.000 1.177 329 G CA -0.256 44.838 45.100 -0.010 0.000 0.842 329 G HN 0.365 nan 8.290 nan 0.000 0.503 330 V N 2.754 122.608 119.914 -0.099 0.000 2.357 330 V HA 0.370 4.485 4.120 -0.009 0.000 0.284 330 V C -0.158 175.783 176.094 -0.254 0.000 1.018 330 V CA -0.707 61.420 62.300 -0.289 0.000 0.841 330 V CB 1.345 32.879 31.823 -0.483 0.000 0.991 330 V HN 0.495 nan 8.190 nan 0.000 0.437 331 V N 5.468 125.197 119.914 -0.309 0.000 2.417 331 V HA 0.518 4.632 4.120 -0.009 0.000 0.291 331 V C -0.455 175.428 176.094 -0.351 0.000 1.024 331 V CA -0.512 61.651 62.300 -0.229 0.000 0.861 331 V CB 1.657 33.379 31.823 -0.169 0.000 0.985 331 V HN 0.662 nan 8.190 nan 0.000 0.436 332 F N 2.724 122.666 119.950 -0.013 0.000 2.394 332 F HA 0.636 5.158 4.527 -0.009 0.000 0.340 332 F C 0.689 176.487 175.800 -0.003 0.000 1.105 332 F CA -0.365 57.626 58.000 -0.015 0.000 1.124 332 F CB 1.440 40.431 39.000 -0.014 0.000 1.145 332 F HN 0.516 nan 8.300 nan 0.000 0.505 333 A N 3.071 125.996 122.820 0.175 0.000 3.064 333 A HA 0.339 4.654 4.320 -0.009 0.000 0.339 333 A C -0.622 177.036 177.584 0.122 0.000 1.078 333 A CA -0.553 51.551 52.037 0.111 0.000 0.869 333 A CB -0.364 18.672 19.000 0.060 0.000 1.067 333 A HN 0.596 nan 8.150 nan 0.000 0.480 334 N N 1.316 120.094 118.700 0.130 0.000 2.527 334 N HA 0.564 5.299 4.740 -0.009 0.000 0.236 334 N C 0.282 175.825 175.510 0.055 0.000 0.999 334 N CA 1.280 54.388 53.050 0.097 0.000 0.935 334 N CB 0.773 39.309 38.487 0.081 0.000 1.132 334 N HN 1.103 nan 8.380 nan 0.000 0.511 335 G N 1.105 109.934 108.800 0.048 0.000 2.353 335 G HA2 0.298 4.253 3.960 -0.009 0.000 0.615 335 G HA3 0.298 4.253 3.960 -0.009 0.000 0.615 335 G C -0.926 173.990 174.900 0.027 0.000 1.280 335 G CA -0.503 44.616 45.100 0.032 0.000 1.000 335 G HN 0.663 nan 8.290 nan 0.000 0.516 336 A N -0.332 122.500 122.820 0.019 0.000 2.531 336 A HA 0.490 4.805 4.320 -0.009 0.000 0.236 336 A C 0.725 178.308 177.584 -0.003 0.000 1.062 336 A CA 0.276 52.320 52.037 0.012 0.000 0.760 336 A CB -0.077 18.931 19.000 0.013 0.000 0.995 336 A HN 1.090 nan 8.150 nan 0.000 0.501 337 I N 4.000 124.557 120.570 -0.021 0.000 2.297 337 I HA 0.196 4.360 4.170 -0.009 0.000 0.291 337 I C -0.061 176.018 176.117 -0.063 0.000 1.033 337 I CA 0.145 61.417 61.300 -0.046 0.000 1.253 337 I CB 0.502 38.456 38.000 -0.077 0.000 1.396 337 I HN 0.560 nan 8.210 nan 0.000 0.476 338 M N 4.394 123.962 119.600 -0.053 0.000 2.644 338 M HA 0.333 4.808 4.480 -0.009 0.000 0.316 338 M C 0.933 177.193 176.300 -0.066 0.000 1.200 338 M CA -0.595 54.671 55.300 -0.056 0.000 0.944 338 M CB 1.559 34.137 32.600 -0.035 0.000 1.691 338 M HN 0.372 nan 8.290 nan 0.000 0.471 339 D N 1.293 121.651 120.400 -0.070 0.000 2.219 339 D HA -0.014 4.621 4.640 -0.009 0.000 0.205 339 D C 1.230 177.499 176.300 -0.052 0.000 0.970 339 D CA 0.919 54.876 54.000 -0.070 0.000 0.851 339 D CB 0.287 41.044 40.800 -0.072 0.000 0.943 339 D HN 0.818 nan 8.370 nan 0.000 0.488 340 G N 0.944 109.720 108.800 -0.040 0.000 2.467 340 G HA2 0.080 4.035 3.960 -0.009 0.000 0.243 340 G HA3 0.080 4.035 3.960 -0.009 0.000 0.243 340 G C 0.434 175.318 174.900 -0.026 0.000 1.521 340 G CA -0.283 44.799 45.100 -0.030 0.000 1.055 340 G HN 0.185 nan 8.290 nan 0.000 0.553 341 E N -0.973 119.216 120.200 -0.018 0.000 2.561 341 E HA 0.297 4.642 4.350 -0.009 0.000 0.254 341 E C 1.052 177.646 176.600 -0.009 0.000 1.213 341 E CA -0.379 56.014 56.400 -0.013 0.000 0.995 341 E CB 1.197 30.892 29.700 -0.008 0.000 1.233 341 E HN 0.522 nan 8.360 nan 0.000 0.556 342 E N 0.474 120.673 120.200 -0.002 0.000 2.007 342 E HA -0.153 4.192 4.350 -0.009 0.000 0.203 342 E C -0.138 176.463 176.600 0.001 0.000 1.020 342 E CA 1.625 58.026 56.400 0.002 0.000 0.845 342 E CB -0.469 29.238 29.700 0.011 0.000 0.779 342 E HN 0.515 nan 8.360 nan 0.000 0.466 343 T N 1.621 116.177 114.554 0.002 0.000 2.164 343 T HA -0.196 4.149 4.350 -0.009 0.000 0.184 343 T C 0.014 174.714 174.700 0.001 0.000 1.084 343 T CA 1.575 63.676 62.100 0.002 0.000 2.212 343 T CB -0.306 68.563 68.868 0.001 0.000 0.932 343 T HN 0.487 nan 8.240 nan 0.000 0.386 344 Q N 2.028 121.829 119.800 0.002 0.000 2.309 344 Q HA 0.297 4.632 4.340 -0.009 0.000 0.335 344 Q C 0.407 176.409 176.000 0.003 0.000 0.559 344 Q CA 0.138 55.943 55.803 0.002 0.000 1.161 344 Q CB -0.430 28.308 28.738 0.001 0.000 1.005 344 Q HN 0.602 nan 8.270 nan 0.000 0.453 345 G N 0.849 109.651 108.800 0.003 0.000 4.486 345 G HA2 0.516 4.471 3.960 -0.009 0.000 0.306 345 G HA3 0.516 4.471 3.960 -0.009 0.000 0.306 345 G C -0.971 173.933 174.900 0.007 0.000 1.331 345 G CA 0.070 45.173 45.100 0.004 0.000 1.113 345 G HN 0.266 nan 8.290 nan 0.000 0.594 346 N N -1.169 117.536 118.700 0.007 0.000 2.405 346 N HA 0.528 5.262 4.740 -0.009 0.000 0.285 346 N C -1.088 174.428 175.510 0.010 0.000 1.262 346 N CA -0.829 52.226 53.050 0.008 0.000 0.773 346 N CB 2.804 41.292 38.487 0.002 0.000 1.490 346 N HN -0.134 nan 8.380 nan 0.000 0.486 347 V N 0.814 120.733 119.914 0.008 0.000 2.461 347 V HA 0.469 4.584 4.120 -0.009 0.000 0.275 347 V C 0.516 176.605 176.094 -0.008 0.000 1.047 347 V CA -0.334 61.971 62.300 0.008 0.000 0.955 347 V CB 0.948 32.779 31.823 0.012 0.000 0.988 347 V HN 0.787 nan 8.190 nan 0.000 0.471 348 G N 3.270 112.066 108.800 -0.007 0.000 2.356 348 G HA2 0.466 4.420 3.960 -0.009 0.000 0.312 348 G HA3 0.466 4.420 3.960 -0.009 0.000 0.312 348 G C 1.039 175.923 174.900 -0.027 0.000 1.096 348 G CA 0.210 45.299 45.100 -0.018 0.000 0.950 348 G HN 0.975 nan 8.290 nan 0.000 0.428 349 G N 2.982 111.756 108.800 -0.044 0.000 2.783 349 G HA2 -0.383 3.572 3.960 -0.009 0.000 0.225 349 G HA3 -0.383 3.572 3.960 -0.009 0.000 0.225 349 G C 1.253 176.127 174.900 -0.043 0.000 1.191 349 G CA 1.681 46.750 45.100 -0.053 0.000 0.774 349 G HN 0.536 nan 8.290 nan 0.000 0.632 350 D N -0.407 119.971 120.400 -0.037 0.000 2.178 350 D HA -0.014 4.620 4.640 -0.009 0.000 0.202 350 D C 2.730 179.014 176.300 -0.027 0.000 0.974 350 D CA 1.461 55.441 54.000 -0.032 0.000 0.841 350 D CB -0.703 40.081 40.800 -0.027 0.000 0.953 350 D HN 0.335 nan 8.370 nan 0.000 0.478 351 T N -0.010 114.532 114.554 -0.020 0.000 2.812 351 T HA -0.076 4.269 4.350 -0.009 0.000 0.264 351 T C 2.007 176.695 174.700 -0.019 0.000 1.042 351 T CA 1.516 63.610 62.100 -0.010 0.000 1.140 351 T CB -0.395 68.475 68.868 0.003 0.000 0.870 351 T HN 0.145 nan 8.240 nan 0.000 0.445 352 T N 2.076 116.616 114.554 -0.023 0.000 2.777 352 T HA 0.049 4.394 4.350 -0.009 0.000 0.266 352 T C 2.437 177.096 174.700 -0.067 0.000 1.040 352 T CA 1.029 63.107 62.100 -0.036 0.000 1.141 352 T CB -0.531 68.323 68.868 -0.023 0.000 0.868 352 T HN 0.396 nan 8.240 nan 0.000 0.444 353 A N 1.537 124.322 122.820 -0.058 0.000 1.940 353 A HA 0.089 4.403 4.320 -0.009 0.000 0.219 353 A C 2.607 180.144 177.584 -0.078 0.000 1.176 353 A CA 1.886 53.884 52.037 -0.066 0.000 0.631 353 A CB -1.029 17.941 19.000 -0.050 0.000 0.814 353 A HN 0.515 nan 8.150 nan 0.000 0.446 354 A N -0.977 121.804 122.820 -0.066 0.000 1.929 354 A HA -0.139 4.175 4.320 -0.009 0.000 0.216 354 A C 2.095 179.613 177.584 -0.111 0.000 1.176 354 A CA 1.526 53.524 52.037 -0.065 0.000 0.628 354 A CB -0.464 18.517 19.000 -0.033 0.000 0.816 354 A HN 0.639 nan 8.150 nan 0.000 0.444 355 Q N -0.473 119.239 119.800 -0.146 0.000 2.084 355 Q HA -0.096 4.239 4.340 -0.009 0.000 0.202 355 Q C 1.917 177.617 176.000 -0.500 0.000 0.978 355 Q CA 1.633 57.244 55.803 -0.320 0.000 0.844 355 Q CB -0.318 28.277 28.738 -0.237 0.000 0.898 355 Q HN 0.732 nan 8.270 nan 0.000 0.426 356 I N 0.179 120.563 120.570 -0.309 0.000 2.361 356 I HA -0.271 3.894 4.170 -0.009 0.000 0.251 356 I C 2.553 178.546 176.117 -0.207 0.000 1.133 356 I CA 0.950 62.091 61.300 -0.264 0.000 1.413 356 I CB -0.187 37.716 38.000 -0.161 0.000 1.073 356 I HN 0.131 nan 8.210 nan 0.000 0.424 357 R N 1.021 121.426 120.500 -0.158 0.000 2.062 357 R HA -0.178 4.156 4.340 -0.009 0.000 0.231 357 R C 1.925 178.167 176.300 -0.097 0.000 1.136 357 R CA 1.867 57.906 56.100 -0.102 0.000 0.948 357 R CB -0.216 30.042 30.300 -0.069 0.000 0.845 357 R HN 0.309 nan 8.270 nan 0.000 0.430 358 D N 0.378 120.708 120.400 -0.117 0.000 2.133 358 D HA -0.226 4.409 4.640 -0.009 0.000 0.192 358 D C 1.722 178.004 176.300 -0.030 0.000 1.001 358 D CA 1.829 55.803 54.000 -0.044 0.000 0.844 358 D CB -0.241 40.574 40.800 0.025 0.000 0.944 358 D HN 0.444 nan 8.370 nan 0.000 0.447 359 A N 1.105 123.830 122.820 -0.159 0.000 1.898 359 A HA -0.176 4.139 4.320 -0.009 0.000 0.216 359 A C 2.195 179.754 177.584 -0.042 0.000 1.181 359 A CA 1.626 53.628 52.037 -0.059 0.000 0.620 359 A CB -0.562 18.321 19.000 -0.195 0.000 0.819 359 A HN 0.161 nan 8.150 nan 0.000 0.442 360 R N -0.435 120.019 120.500 -0.076 0.000 2.117 360 R HA -0.079 4.256 4.340 -0.009 0.000 0.243 360 R C 1.452 177.738 176.300 -0.024 0.000 1.143 360 R CA 1.831 57.901 56.100 -0.049 0.000 0.968 360 R CB -0.304 29.962 30.300 -0.057 0.000 0.863 360 R HN 0.500 nan 8.270 nan 0.000 0.444 361 L N -0.078 121.136 121.223 -0.016 0.000 2.513 361 L HA 0.132 4.467 4.340 -0.009 0.000 0.222 361 L C 0.302 177.181 176.870 0.015 0.000 1.096 361 L CA -0.350 54.489 54.840 -0.001 0.000 0.857 361 L CB 0.125 42.183 42.059 -0.002 0.000 1.026 361 L HN 0.099 nan 8.230 nan 0.000 0.469 362 D N 1.822 122.239 120.400 0.028 0.000 2.363 362 D HA 0.029 4.663 4.640 -0.009 0.000 0.263 362 D C -1.414 174.907 176.300 0.034 0.000 1.258 362 D CA -1.781 52.246 54.000 0.046 0.000 0.907 362 D CB 1.356 42.202 40.800 0.077 0.000 1.107 362 D HN -0.009 nan 8.370 nan 0.000 0.495 363 P HA -0.122 nan 4.420 nan 0.000 0.223 363 P C 1.156 178.477 177.300 0.034 0.000 1.151 363 P CA 0.639 63.755 63.100 0.027 0.000 0.787 363 P CB 0.552 32.269 31.700 0.027 0.000 0.788 364 K N 0.078 120.508 120.400 0.049 0.000 2.063 364 K HA -0.039 4.276 4.320 -0.009 0.000 0.208 364 K C 0.638 177.257 176.600 0.031 0.000 1.048 364 K CA 0.627 56.953 56.287 0.065 0.000 0.928 364 K CB -0.904 31.657 32.500 0.101 0.000 0.713 364 K HN -0.031 nan 8.250 nan 0.000 0.442 365 V N 2.284 122.205 119.914 0.011 0.000 2.470 365 V HA 0.005 4.119 4.120 -0.009 0.000 0.276 365 V C 0.875 176.957 176.094 -0.020 0.000 1.040 365 V CA 0.191 62.477 62.300 -0.023 0.000 1.008 365 V CB 1.339 33.163 31.823 0.002 0.000 0.990 365 V HN 0.201 nan 8.190 nan 0.000 0.477 366 K N 3.348 123.727 120.400 -0.034 0.000 2.354 366 K HA 0.477 4.791 4.320 -0.009 0.000 0.194 366 K C 0.332 176.913 176.600 -0.031 0.000 1.045 366 K CA 0.573 56.845 56.287 -0.024 0.000 1.026 366 K CB 1.042 33.532 32.500 -0.016 0.000 0.866 366 K HN 0.731 nan 8.250 nan 0.000 0.530 367 A N 0.685 123.479 122.820 -0.043 0.000 2.612 367 A HA 0.703 5.018 4.320 -0.009 0.000 0.293 367 A C -1.388 176.162 177.584 -0.056 0.000 1.075 367 A CA -0.730 51.279 52.037 -0.047 0.000 0.680 367 A CB 1.089 20.060 19.000 -0.049 0.000 1.279 367 A HN 0.050 nan 8.150 nan 0.000 0.411 368 I N 0.856 121.391 120.570 -0.059 0.000 2.509 368 I HA 0.538 4.703 4.170 -0.009 0.000 0.293 368 I C -0.808 175.261 176.117 -0.080 0.000 1.020 368 I CA -1.097 60.159 61.300 -0.074 0.000 1.088 368 I CB 2.054 40.005 38.000 -0.081 0.000 1.267 368 I HN 0.310 nan 8.210 nan 0.000 0.430 369 V N 6.376 126.226 119.914 -0.107 0.000 2.459 369 V HA 0.361 4.475 4.120 -0.009 0.000 0.295 369 V C -0.422 175.602 176.094 -0.117 0.000 1.029 369 V CA -0.642 61.597 62.300 -0.101 0.000 0.874 369 V CB 1.990 33.738 31.823 -0.125 0.000 0.985 369 V HN 0.431 nan 8.190 nan 0.000 0.438 370 L N 5.638 126.814 121.223 -0.079 0.000 2.277 370 L HA 0.597 4.932 4.340 -0.009 0.000 0.284 370 L C 0.030 176.871 176.870 -0.048 0.000 1.028 370 L CA -0.419 54.368 54.840 -0.089 0.000 0.835 370 L CB 0.898 42.922 42.059 -0.058 0.000 1.215 370 L HN 0.603 nan 8.230 nan 0.000 0.425 371 R N 4.105 124.535 120.500 -0.117 0.000 2.242 371 R HA 0.474 4.808 4.340 -0.009 0.000 0.334 371 R C -1.561 174.784 176.300 0.074 0.000 1.071 371 R CA -0.202 55.888 56.100 -0.017 0.000 0.922 371 R CB 0.322 30.500 30.300 -0.203 0.000 1.023 371 R HN 0.424 nan 8.270 nan 0.000 0.458 372 V N 5.441 125.415 119.914 0.100 0.000 2.417 372 V HA 0.398 4.513 4.120 -0.009 0.000 0.291 372 V C -0.459 175.705 176.094 0.117 0.000 1.024 372 V CA -0.767 61.595 62.300 0.103 0.000 0.861 372 V CB 1.512 33.383 31.823 0.081 0.000 0.985 372 V HN 0.792 nan 8.190 nan 0.000 0.436 373 N N 2.863 121.632 118.700 0.115 0.000 2.653 373 N HA 0.406 5.140 4.740 -0.009 0.000 0.261 373 N C -1.250 174.304 175.510 0.073 0.000 1.216 373 N CA 0.020 53.126 53.050 0.093 0.000 0.784 373 N CB 1.607 40.153 38.487 0.098 0.000 1.327 373 N HN 0.652 nan 8.380 nan 0.000 0.539 374 S N 2.925 118.665 115.700 0.067 0.000 2.543 374 S HA 0.538 5.002 4.470 -0.009 0.000 0.271 374 S C -2.417 172.218 174.600 0.058 0.000 1.148 374 S CA -1.046 57.189 58.200 0.059 0.000 0.914 374 S CB 1.557 64.795 63.200 0.063 0.000 1.096 374 S HN 0.280 nan 8.310 nan 0.000 0.471 375 P HA 0.284 nan 4.420 nan 0.000 0.236 375 P C 0.985 178.330 177.300 0.076 0.000 1.177 375 P CA 1.297 64.429 63.100 0.053 0.000 0.773 375 P CB -0.161 31.566 31.700 0.045 0.000 0.878 376 G N -1.460 107.376 108.800 0.061 0.000 2.384 376 G HA2 0.296 4.250 3.960 -0.009 0.000 0.200 376 G HA3 0.296 4.250 3.960 -0.009 0.000 0.200 376 G C -0.045 174.851 174.900 -0.007 0.000 1.205 376 G CA -0.037 45.088 45.100 0.043 0.000 1.116 376 G HN 0.575 nan 8.290 nan 0.000 0.547 377 G N -1.356 107.413 108.800 -0.052 0.000 2.249 377 G HA2 0.471 4.426 3.960 -0.009 0.000 0.089 377 G HA3 0.471 4.426 3.960 -0.009 0.000 0.089 377 G C 0.407 175.197 174.900 -0.184 0.000 1.206 377 G CA 1.089 46.133 45.100 -0.092 0.000 1.190 377 G HN 2.333 nan 8.290 nan 0.000 0.454 378 S N 0.446 116.031 115.700 -0.191 0.000 2.488 378 S HA 0.396 4.860 4.470 -0.009 0.000 0.278 378 S C 1.754 176.124 174.600 -0.384 0.000 1.259 378 S CA 0.368 58.421 58.200 -0.245 0.000 1.061 378 S CB 1.150 64.239 63.200 -0.186 0.000 0.910 378 S HN 1.190 nan 8.310 nan 0.000 0.491 379 V N 5.239 124.868 119.914 -0.475 0.000 2.287 379 V HA -0.191 3.924 4.120 -0.009 0.000 0.248 379 V C 2.862 178.582 176.094 -0.623 0.000 1.053 379 V CA 2.482 64.327 62.300 -0.757 0.000 1.027 379 V CB -1.562 29.865 31.823 -0.659 0.000 0.646 379 V HN 1.058 nan 8.190 nan 0.000 0.447 380 T N -1.182 113.153 114.554 -0.365 0.000 2.821 380 T HA -0.077 4.267 4.350 -0.009 0.000 0.267 380 T C 1.889 176.458 174.700 -0.218 0.000 1.046 380 T CA 1.405 63.358 62.100 -0.245 0.000 1.139 380 T CB -0.402 68.370 68.868 -0.160 0.000 0.871 380 T HN 0.461 nan 8.240 nan 0.000 0.454 381 A N 1.404 124.091 122.820 -0.222 0.000 1.968 381 A HA 0.085 4.400 4.320 -0.009 0.000 0.217 381 A C 2.687 180.149 177.584 -0.203 0.000 1.169 381 A CA 1.617 53.550 52.037 -0.174 0.000 0.638 381 A CB -0.966 17.948 19.000 -0.143 0.000 0.812 381 A HN 0.523 nan 8.150 nan 0.000 0.446 382 S N -0.493 115.001 115.700 -0.343 0.000 2.368 382 S HA -0.163 4.301 4.470 -0.009 0.000 0.225 382 S C 1.945 176.413 174.600 -0.220 0.000 1.030 382 S CA 1.615 59.587 58.200 -0.380 0.000 0.999 382 S CB -0.251 62.451 63.200 -0.830 0.000 0.844 382 S HN 0.689 nan 8.310 nan 0.000 0.459 383 E N 0.919 120.969 120.200 -0.251 0.000 2.085 383 E HA -0.115 4.230 4.350 -0.009 0.000 0.194 383 E C 1.901 178.508 176.600 0.011 0.000 0.994 383 E CA 1.024 57.441 56.400 0.029 0.000 0.801 383 E CB -0.246 29.458 29.700 0.006 0.000 0.743 383 E HN 0.267 nan 8.360 nan 0.000 0.453 384 V N 0.513 120.397 119.914 -0.050 0.000 2.261 384 V HA -0.280 3.834 4.120 -0.009 0.000 0.246 384 V C 2.259 178.336 176.094 -0.027 0.000 1.047 384 V CA 1.955 64.232 62.300 -0.039 0.000 1.015 384 V CB -0.485 31.305 31.823 -0.056 0.000 0.642 384 V HN 0.304 nan 8.190 nan 0.000 0.446 385 I N -0.369 120.181 120.570 -0.033 0.000 2.127 385 I HA -0.282 3.882 4.170 -0.009 0.000 0.241 385 I C 2.763 178.878 176.117 -0.003 0.000 1.075 385 I CA 2.012 63.297 61.300 -0.025 0.000 1.334 385 I CB -0.575 37.409 38.000 -0.026 0.000 1.040 385 I HN 0.202 nan 8.210 nan 0.000 0.405 386 R N 1.242 121.767 120.500 0.042 0.000 2.094 386 R HA -0.256 4.078 4.340 -0.009 0.000 0.239 386 R C 2.363 178.672 176.300 0.014 0.000 1.137 386 R CA 2.077 58.209 56.100 0.053 0.000 0.943 386 R CB -0.400 29.989 30.300 0.148 0.000 0.850 386 R HN 0.414 nan 8.270 nan 0.000 0.433 387 A N 0.942 123.773 122.820 0.019 0.000 1.940 387 A HA -0.168 4.147 4.320 -0.009 0.000 0.219 387 A C 1.985 179.559 177.584 -0.018 0.000 1.176 387 A CA 1.508 53.545 52.037 0.000 0.000 0.631 387 A CB -0.401 18.601 19.000 0.003 0.000 0.814 387 A HN 0.368 nan 8.150 nan 0.000 0.446 388 E N -0.433 119.751 120.200 -0.026 0.000 2.072 388 E HA -0.115 4.230 4.350 -0.009 0.000 0.191 388 E C 1.971 178.543 176.600 -0.046 0.000 0.985 388 E CA 0.659 57.035 56.400 -0.041 0.000 0.801 388 E CB -0.348 29.320 29.700 -0.053 0.000 0.750 388 E HN 0.417 nan 8.360 nan 0.000 0.452 389 L N 0.763 121.960 121.223 -0.044 0.000 2.017 389 L HA -0.111 4.224 4.340 -0.009 0.000 0.208 389 L C 2.344 179.189 176.870 -0.041 0.000 1.073 389 L CA 1.793 56.605 54.840 -0.047 0.000 0.745 389 L CB -1.521 40.511 42.059 -0.044 0.000 0.894 389 L HN 0.022 nan 8.230 nan 0.000 0.432 390 A N -0.952 121.846 122.820 -0.036 0.000 1.972 390 A HA -0.098 4.217 4.320 -0.009 0.000 0.219 390 A C 2.456 180.021 177.584 -0.031 0.000 1.169 390 A CA 1.665 53.681 52.037 -0.035 0.000 0.635 390 A CB -0.641 18.339 19.000 -0.034 0.000 0.810 390 A HN 0.403 nan 8.150 nan 0.000 0.446 391 A N -0.183 122.619 122.820 -0.030 0.000 1.897 391 A HA 0.261 4.576 4.320 -0.009 0.000 0.215 391 A C 2.492 180.058 177.584 -0.030 0.000 1.181 391 A CA 1.728 53.749 52.037 -0.028 0.000 0.620 391 A CB -0.983 18.000 19.000 -0.028 0.000 0.821 391 A HN 0.995 nan 8.150 nan 0.000 0.443 392 A N -0.002 122.795 122.820 -0.037 0.000 1.892 392 A HA -0.234 4.081 4.320 -0.009 0.000 0.218 392 A C 2.288 179.853 177.584 -0.032 0.000 1.188 392 A CA 1.966 53.979 52.037 -0.040 0.000 0.631 392 A CB -0.529 18.440 19.000 -0.052 0.000 0.822 392 A HN 0.551 nan 8.150 nan 0.000 0.447 393 R N -0.629 119.852 120.500 -0.031 0.000 2.090 393 R HA -0.012 4.323 4.340 -0.009 0.000 0.228 393 R C 2.266 178.554 176.300 -0.020 0.000 1.110 393 R CA 1.255 57.340 56.100 -0.024 0.000 0.973 393 R CB -0.374 29.911 30.300 -0.024 0.000 0.869 393 R HN 0.435 nan 8.270 nan 0.000 0.440 394 A N 0.567 123.375 122.820 -0.021 0.000 2.019 394 A HA -0.029 4.286 4.320 -0.009 0.000 0.219 394 A C 2.059 179.634 177.584 -0.014 0.000 1.164 394 A CA 1.471 53.498 52.037 -0.017 0.000 0.644 394 A CB -0.412 18.577 19.000 -0.018 0.000 0.805 394 A HN 0.483 nan 8.150 nan 0.000 0.449 395 A N -1.879 120.931 122.820 -0.017 0.000 2.259 395 A HA 0.425 4.739 4.320 -0.009 0.000 0.208 395 A C 1.700 179.276 177.584 -0.013 0.000 1.201 395 A CA 1.132 53.160 52.037 -0.014 0.000 0.824 395 A CB -0.882 18.108 19.000 -0.017 0.000 0.838 395 A HN 1.809 nan 8.150 nan 0.000 0.485 396 G N -0.650 108.142 108.800 -0.014 0.000 2.175 396 G HA2 -0.221 3.734 3.960 -0.009 0.000 0.244 396 G HA3 -0.221 3.734 3.960 -0.009 0.000 0.244 396 G C 0.095 174.986 174.900 -0.015 0.000 0.982 396 G CA 0.212 45.304 45.100 -0.012 0.000 0.641 396 G HN 0.527 nan 8.290 nan 0.000 0.527 397 K N 1.565 121.953 120.400 -0.020 0.000 2.262 397 K HA 0.431 4.746 4.320 -0.009 0.000 0.282 397 K C -2.662 173.922 176.600 -0.026 0.000 1.066 397 K CA -1.765 54.507 56.287 -0.024 0.000 0.901 397 K CB 1.658 34.141 32.500 -0.029 0.000 1.089 397 K HN 0.076 nan 8.250 nan 0.000 0.476 398 P HA 0.034 nan 4.420 nan 0.000 0.271 398 P C -0.729 176.554 177.300 -0.028 0.000 1.216 398 P CA -0.354 62.732 63.100 -0.023 0.000 0.776 398 P CB 0.683 32.366 31.700 -0.027 0.000 0.881 399 V N 4.056 123.958 119.914 -0.019 0.000 2.448 399 V HA 0.340 4.454 4.120 -0.009 0.000 0.295 399 V C -0.035 176.059 176.094 0.001 0.000 1.025 399 V CA -0.565 61.721 62.300 -0.024 0.000 0.859 399 V CB 2.050 33.855 31.823 -0.031 0.000 0.988 399 V HN 0.213 nan 8.190 nan 0.000 0.431 400 V N 5.515 125.428 119.914 -0.002 0.000 2.487 400 V HA 0.430 4.545 4.120 -0.009 0.000 0.298 400 V C -0.071 176.035 176.094 0.020 0.000 1.028 400 V CA -0.670 61.653 62.300 0.039 0.000 0.860 400 V CB 2.070 33.916 31.823 0.038 0.000 0.991 400 V HN 0.613 nan 8.190 nan 0.000 0.427 401 V N 3.621 123.554 119.914 0.032 0.000 2.583 401 V HA 0.346 4.460 4.120 -0.009 0.000 0.287 401 V C 0.597 176.726 176.094 0.058 0.000 1.051 401 V CA 0.071 62.386 62.300 0.025 0.000 1.010 401 V CB 1.789 33.614 31.823 0.003 0.000 0.988 401 V HN 0.880 nan 8.190 nan 0.000 0.478 402 S N 6.433 122.182 115.700 0.081 0.000 2.577 402 S HA 0.529 4.994 4.470 -0.009 0.000 0.294 402 S C -0.362 174.312 174.600 0.123 0.000 1.161 402 S CA -0.734 57.546 58.200 0.132 0.000 1.143 402 S CB 0.017 63.365 63.200 0.247 0.000 0.991 402 S HN 0.635 nan 8.310 nan 0.000 0.475 403 M N 4.479 124.141 119.600 0.103 0.000 2.143 403 M HA 0.312 4.787 4.480 -0.009 0.000 0.348 403 M C 1.262 177.621 176.300 0.098 0.000 1.375 403 M CA -0.340 55.021 55.300 0.102 0.000 1.124 403 M CB 0.836 33.498 32.600 0.103 0.000 1.669 403 M HN 0.760 nan 8.290 nan 0.000 0.469 404 G N 1.973 110.833 108.800 0.101 0.000 3.229 404 G HA2 0.301 4.255 3.960 -0.009 0.000 0.165 404 G HA3 0.301 4.255 3.960 -0.009 0.000 0.165 404 G C 1.014 175.953 174.900 0.065 0.000 1.753 404 G CA 0.245 45.395 45.100 0.083 0.000 1.054 404 G HN 0.821 nan 8.290 nan 0.000 0.544 405 G N -0.549 108.282 108.800 0.052 0.000 2.421 405 G HA2 0.086 4.041 3.960 -0.009 0.000 0.216 405 G HA3 0.086 4.041 3.960 -0.009 0.000 0.216 405 G C 0.651 175.562 174.900 0.017 0.000 1.171 405 G CA 1.074 46.192 45.100 0.030 0.000 0.775 405 G HN 0.434 nan 8.290 nan 0.000 0.543 406 M N -0.429 119.187 119.600 0.026 0.000 2.457 406 M HA 0.647 5.122 4.480 -0.009 0.000 0.300 406 M C -1.565 174.770 176.300 0.058 0.000 1.141 406 M CA -0.473 54.835 55.300 0.015 0.000 0.901 406 M CB 2.604 35.200 32.600 -0.005 0.000 1.687 406 M HN 0.075 nan 8.290 nan 0.000 0.449 407 A N 3.297 126.164 122.820 0.079 0.000 3.307 407 A HA 0.776 5.090 4.320 -0.009 0.000 0.289 407 A C -1.233 176.468 177.584 0.195 0.000 1.138 407 A CA -0.207 51.914 52.037 0.140 0.000 0.860 407 A CB 0.170 19.268 19.000 0.164 0.000 1.318 407 A HN 0.954 nan 8.150 nan 0.000 0.551 408 A N 0.042 122.958 122.820 0.160 0.000 2.384 408 A HA 0.934 5.248 4.320 -0.009 0.000 0.312 408 A C 0.831 178.565 177.584 0.251 0.000 1.113 408 A CA 0.372 52.512 52.037 0.172 0.000 0.779 408 A CB 1.043 20.079 19.000 0.060 0.000 1.307 408 A HN 2.077 nan 8.150 nan 0.000 0.436 409 S N 0.118 116.019 115.700 0.335 0.000 4.112 409 S HA -0.275 4.190 4.470 -0.009 0.000 0.602 409 S C 1.761 176.651 174.600 0.483 0.000 1.939 409 S CA 2.695 61.175 58.200 0.466 0.000 4.230 409 S CB -1.696 61.687 63.200 0.306 0.000 0.245 409 S HN 2.531 nan 8.310 nan 0.000 0.530 410 G N 0.903 109.838 108.800 0.225 0.000 2.505 410 G HA2 -0.079 3.875 3.960 -0.009 0.000 0.220 410 G HA3 -0.079 3.875 3.960 -0.009 0.000 0.220 410 G C 1.591 176.587 174.900 0.159 0.000 1.145 410 G CA 1.372 46.518 45.100 0.076 0.000 0.761 410 G HN 1.524 nan 8.290 nan 0.000 0.571 411 G N -0.994 107.908 108.800 0.171 0.000 2.535 411 G HA2 -0.151 3.804 3.960 -0.009 0.000 0.218 411 G HA3 -0.151 3.804 3.960 -0.009 0.000 0.218 411 G C 1.490 176.534 174.900 0.240 0.000 1.122 411 G CA 0.994 46.194 45.100 0.167 0.000 0.769 411 G HN 0.489 nan 8.290 nan 0.000 0.549 412 Y N -0.979 119.461 120.300 0.233 0.000 2.389 412 Y HA 0.136 4.681 4.550 -0.009 0.000 0.292 412 Y C 2.351 178.425 175.900 0.289 0.000 1.117 412 Y CA 0.081 58.328 58.100 0.246 0.000 1.195 412 Y CB -0.212 38.414 38.460 0.277 0.000 1.076 412 Y HN 0.218 nan 8.280 nan 0.000 0.548 413 W N 2.356 123.745 121.300 0.148 0.000 2.302 413 W HA -0.301 4.353 4.660 -0.009 0.000 0.320 413 W C 2.093 178.535 176.519 -0.129 0.000 1.241 413 W CA 3.189 60.503 57.345 -0.053 0.000 1.264 413 W CB -0.755 28.547 29.460 -0.264 0.000 1.154 413 W HN 0.346 nan 8.180 nan 0.000 0.483 414 I N -1.362 119.349 120.570 0.234 0.000 2.830 414 I HA -0.124 4.040 4.170 -0.009 0.000 0.263 414 I C 1.964 178.070 176.117 -0.017 0.000 1.230 414 I CA 1.552 62.918 61.300 0.109 0.000 1.480 414 I CB -0.769 37.270 38.000 0.065 0.000 1.095 414 I HN -0.262 nan 8.210 nan 0.000 0.455 415 S N 0.570 116.208 115.700 -0.103 0.000 2.446 415 S HA -0.075 4.390 4.470 -0.009 0.000 0.225 415 S C 1.888 176.338 174.600 -0.250 0.000 1.016 415 S CA 1.299 59.395 58.200 -0.174 0.000 0.943 415 S CB -0.234 62.828 63.200 -0.230 0.000 0.786 415 S HN 0.538 nan 8.310 nan 0.000 0.508 416 T N 2.811 117.167 114.554 -0.330 0.000 2.737 416 T HA -0.062 4.283 4.350 -0.009 0.000 0.269 416 T C -1.054 173.532 174.700 -0.190 0.000 1.040 416 T CA 1.237 63.142 62.100 -0.325 0.000 1.142 416 T CB -0.781 67.894 68.868 -0.322 0.000 0.861 416 T HN 0.383 nan 8.240 nan 0.000 0.456 417 P HA 0.272 nan 4.420 nan 0.000 0.249 417 P C -0.160 177.097 177.300 -0.071 0.000 1.241 417 P CA 0.174 63.216 63.100 -0.097 0.000 0.781 417 P CB -0.224 31.433 31.700 -0.072 0.000 1.088 418 A N 0.576 123.354 122.820 -0.070 0.000 2.340 418 A HA 0.213 4.527 4.320 -0.009 0.000 0.268 418 A C 1.504 179.092 177.584 0.006 0.000 1.100 418 A CA -0.529 51.491 52.037 -0.029 0.000 0.803 418 A CB 0.042 19.029 19.000 -0.023 0.000 1.043 418 A HN 0.019 nan 8.150 nan 0.000 0.488 419 N N -0.509 118.215 118.700 0.041 0.000 2.061 419 N HA -0.165 4.569 4.740 -0.009 0.000 0.193 419 N C -0.622 175.008 175.510 0.199 0.000 1.030 419 N CA 1.762 54.868 53.050 0.093 0.000 0.856 419 N CB -0.123 38.409 38.487 0.075 0.000 1.023 419 N HN 0.693 nan 8.380 nan 0.000 0.424 420 Y N 0.079 120.373 120.300 -0.009 0.000 2.421 420 Y HA 0.442 4.987 4.550 -0.009 0.000 0.339 420 Y C -1.093 174.807 175.900 -0.000 0.000 0.996 420 Y CA -0.781 57.320 58.100 0.001 0.000 1.046 420 Y CB 1.209 39.667 38.460 -0.003 0.000 1.226 420 Y HN -0.169 nan 8.280 nan 0.000 0.445 421 I N 6.579 127.009 120.570 -0.232 0.000 2.330 421 I HA 0.393 4.558 4.170 -0.009 0.000 0.289 421 I C -0.754 175.242 176.117 -0.201 0.000 1.001 421 I CA -0.968 60.245 61.300 -0.144 0.000 1.193 421 I CB 1.415 39.374 38.000 -0.069 0.000 1.345 421 I HN 0.335 nan 8.210 nan 0.000 0.461 422 V N 6.695 126.582 119.914 -0.044 0.000 2.435 422 V HA 0.879 4.994 4.120 -0.009 0.000 0.290 422 V C -0.108 176.010 176.094 0.039 0.000 1.030 422 V CA -0.052 62.249 62.300 0.001 0.000 0.881 422 V CB 1.375 33.253 31.823 0.092 0.000 0.983 422 V HN 0.817 nan 8.190 nan 0.000 0.445 423 A N 4.782 127.626 122.820 0.039 0.000 2.413 423 A HA 0.651 4.966 4.320 -0.009 0.000 0.307 423 A C -0.363 177.261 177.584 0.067 0.000 1.087 423 A CA -0.911 51.164 52.037 0.063 0.000 0.750 423 A CB 1.104 20.146 19.000 0.069 0.000 1.296 423 A HN 0.999 nan 8.150 nan 0.000 0.423 424 N N 1.351 120.096 118.700 0.076 0.000 2.518 424 N HA 0.289 5.023 4.740 -0.009 0.000 0.266 424 N C -1.487 174.079 175.510 0.094 0.000 1.196 424 N CA -1.393 51.709 53.050 0.086 0.000 0.947 424 N CB 1.000 39.541 38.487 0.090 0.000 1.098 424 N HN 0.303 nan 8.380 nan 0.000 0.450 425 P HA -0.087 nan 4.420 nan 0.000 0.221 425 P C 0.095 177.474 177.300 0.132 0.000 1.145 425 P CA 1.162 64.326 63.100 0.106 0.000 0.795 425 P CB 0.222 31.985 31.700 0.105 0.000 0.775 426 S N -1.574 114.212 115.700 0.142 0.000 2.605 426 S HA 0.070 4.534 4.470 -0.009 0.000 0.217 426 S C 0.766 175.442 174.600 0.127 0.000 0.958 426 S CA 0.135 58.434 58.200 0.165 0.000 0.919 426 S CB -0.645 62.666 63.200 0.186 0.000 0.780 426 S HN 0.180 nan 8.310 nan 0.000 0.507 427 T N 2.908 117.522 114.554 0.100 0.000 2.919 427 T HA 0.307 4.652 4.350 -0.009 0.000 0.302 427 T C -0.072 174.654 174.700 0.043 0.000 1.031 427 T CA 0.158 62.299 62.100 0.068 0.000 1.127 427 T CB 0.357 69.270 68.868 0.076 0.000 0.952 427 T HN 0.178 nan 8.240 nan 0.000 0.540 428 L N 3.090 124.298 121.223 -0.025 0.000 2.272 428 L HA 0.555 4.889 4.340 -0.009 0.000 0.289 428 L C 0.732 177.571 176.870 -0.052 0.000 1.032 428 L CA -0.421 54.351 54.840 -0.113 0.000 0.810 428 L CB 1.438 43.291 42.059 -0.343 0.000 1.205 428 L HN 0.677 nan 8.230 nan 0.000 0.422 429 T N 1.074 115.625 114.554 -0.005 0.000 2.550 429 T HA 0.767 5.112 4.350 -0.009 0.000 0.256 429 T C 0.565 175.270 174.700 0.008 0.000 0.866 429 T CA 0.419 62.550 62.100 0.050 0.000 1.163 429 T CB 1.060 69.999 68.868 0.120 0.000 1.460 429 T HN 0.874 nan 8.240 nan 0.000 0.498 430 G N 1.074 109.831 108.800 -0.071 0.000 2.591 430 G HA2 -0.230 3.725 3.960 -0.009 0.000 0.298 430 G HA3 -0.230 3.725 3.960 -0.009 0.000 0.298 430 G C 0.638 175.487 174.900 -0.084 0.000 1.195 430 G CA 1.159 46.167 45.100 -0.154 0.000 0.989 430 G HN 2.113 nan 8.290 nan 0.000 0.551 431 S N -1.598 114.040 115.700 -0.104 0.000 3.748 431 S HA -0.213 4.252 4.470 -0.009 0.000 0.329 431 S C 0.507 175.141 174.600 0.056 0.000 1.104 431 S CA 1.154 59.344 58.200 -0.017 0.000 0.954 431 S CB -1.745 61.477 63.200 0.036 0.000 0.910 431 S HN 1.401 nan 8.310 nan 0.000 0.494 432 I N 2.008 122.512 120.570 -0.111 0.000 2.471 432 I HA 0.512 4.677 4.170 -0.009 0.000 0.294 432 I C 1.179 177.225 176.117 -0.118 0.000 1.123 432 I CA 0.843 61.876 61.300 -0.446 0.000 1.336 432 I CB 0.164 37.747 38.000 -0.695 0.000 1.430 432 I HN 0.469 nan 8.210 nan 0.000 0.533 433 G N 6.132 115.048 108.800 0.194 0.000 2.428 433 G HA2 0.639 4.593 3.960 -0.009 0.000 0.304 433 G HA3 0.639 4.593 3.960 -0.009 0.000 0.304 433 G C -1.885 173.370 174.900 0.592 0.000 1.303 433 G CA -0.550 44.846 45.100 0.493 0.000 0.825 433 G HN 0.433 nan 8.290 nan 0.000 0.484 434 I N -0.113 120.753 120.570 0.493 0.000 2.743 434 I HA 0.749 4.914 4.170 -0.009 0.000 0.292 434 I C -1.621 174.694 176.117 0.331 0.000 1.343 434 I CA -1.099 60.416 61.300 0.359 0.000 1.038 434 I CB 1.885 40.108 38.000 0.372 0.000 1.311 434 I HN 0.838 nan 8.210 nan 0.000 0.426 435 F N 4.964 125.013 119.950 0.165 0.000 2.626 435 F HA 0.994 5.516 4.527 -0.008 0.000 0.311 435 F C -0.736 175.135 175.800 0.117 0.000 1.088 435 F CA -0.735 57.344 58.000 0.132 0.000 0.949 435 F CB 1.880 40.946 39.000 0.110 0.000 1.322 435 F HN 0.535 nan 8.300 nan 0.000 0.461 436 G N 1.311 110.383 108.800 0.453 0.000 2.739 436 G HA2 0.580 4.534 3.960 -0.009 0.000 0.292 436 G HA3 0.580 4.534 3.960 -0.009 0.000 0.292 436 G C -2.408 172.703 174.900 0.353 0.000 1.444 436 G CA -0.884 44.421 45.100 0.342 0.000 1.144 436 G HN 0.755 nan 8.290 nan 0.000 0.550 437 V N 3.468 123.501 119.914 0.198 0.000 2.604 437 V HA 0.602 4.716 4.120 -0.009 0.000 0.305 437 V C -0.601 175.504 176.094 0.018 0.000 1.043 437 V CA -0.927 61.346 62.300 -0.044 0.000 0.888 437 V CB 1.871 33.347 31.823 -0.578 0.000 0.995 437 V HN 0.635 nan 8.190 nan 0.000 0.429 438 I N 3.798 124.420 120.570 0.086 0.000 2.466 438 I HA 0.504 4.668 4.170 -0.009 0.000 0.289 438 I C 0.092 176.286 176.117 0.128 0.000 1.026 438 I CA -0.129 61.255 61.300 0.140 0.000 1.078 438 I CB 2.271 40.428 38.000 0.261 0.000 1.249 438 I HN 0.810 nan 8.210 nan 0.000 0.429 439 T N 1.738 116.346 114.554 0.090 0.000 2.856 439 T HA 0.820 5.165 4.350 -0.009 0.000 0.283 439 T C -0.039 174.732 174.700 0.119 0.000 1.008 439 T CA -0.651 61.509 62.100 0.100 0.000 0.997 439 T CB 2.118 71.044 68.868 0.097 0.000 0.992 439 T HN 0.674 nan 8.240 nan 0.000 0.454 440 T N -1.546 113.083 114.554 0.124 0.000 2.906 440 T HA 0.623 4.968 4.350 -0.009 0.000 0.295 440 T C 0.469 175.212 174.700 0.071 0.000 1.075 440 T CA -0.375 61.786 62.100 0.102 0.000 1.005 440 T CB 1.596 70.540 68.868 0.127 0.000 1.136 440 T HN 1.274 nan 8.240 nan 0.000 0.498 441 V N -0.908 119.036 119.914 0.051 0.000 2.991 441 V HA 0.351 4.466 4.120 -0.009 0.000 0.355 441 V C 1.636 177.741 176.094 0.018 0.000 1.384 441 V CA 0.158 62.477 62.300 0.031 0.000 1.171 441 V CB -0.252 31.584 31.823 0.022 0.000 1.190 441 V HN 0.963 nan 8.190 nan 0.000 0.540 442 E N 1.317 121.535 120.200 0.030 0.000 2.110 442 E HA -0.232 4.113 4.350 -0.009 0.000 0.193 442 E C 1.122 177.725 176.600 0.006 0.000 0.988 442 E CA 1.763 58.176 56.400 0.023 0.000 0.804 442 E CB -0.470 29.258 29.700 0.046 0.000 0.745 442 E HN 0.610 nan 8.360 nan 0.000 0.458 443 N N 0.760 119.468 118.700 0.014 0.000 2.409 443 N HA 0.011 4.746 4.740 -0.009 0.000 0.179 443 N C 1.778 177.281 175.510 -0.011 0.000 1.032 443 N CA 1.044 54.098 53.050 0.007 0.000 0.898 443 N CB 0.067 38.564 38.487 0.016 0.000 0.971 443 N HN 0.170 nan 8.380 nan 0.000 0.441 444 S N 1.243 116.936 115.700 -0.012 0.000 2.357 444 S HA 0.076 4.541 4.470 -0.009 0.000 0.221 444 S C 2.142 176.716 174.600 -0.044 0.000 1.031 444 S CA 0.500 58.689 58.200 -0.018 0.000 0.982 444 S CB -0.252 62.944 63.200 -0.007 0.000 0.853 444 S HN 0.213 nan 8.310 nan 0.000 0.458 445 L N 2.028 123.216 121.223 -0.059 0.000 2.042 445 L HA -0.172 4.163 4.340 -0.009 0.000 0.210 445 L C 2.621 179.371 176.870 -0.199 0.000 1.076 445 L CA 1.609 56.384 54.840 -0.108 0.000 0.749 445 L CB -0.712 41.287 42.059 -0.101 0.000 0.893 445 L HN 0.429 nan 8.230 nan 0.000 0.432 446 D N 0.096 120.380 120.400 -0.193 0.000 2.178 446 D HA -0.176 4.458 4.640 -0.009 0.000 0.201 446 D C 2.097 178.323 176.300 -0.125 0.000 0.980 446 D CA 1.624 55.471 54.000 -0.255 0.000 0.842 446 D CB 0.265 41.033 40.800 -0.053 0.000 0.948 446 D HN 0.402 nan 8.370 nan 0.000 0.472 447 S N 0.704 116.364 115.700 -0.067 0.000 2.453 447 S HA -0.106 4.358 4.470 -0.009 0.000 0.231 447 S C 2.082 176.661 174.600 -0.034 0.000 1.005 447 S CA 0.469 58.651 58.200 -0.030 0.000 0.949 447 S CB -0.701 62.489 63.200 -0.016 0.000 0.774 447 S HN 0.535 nan 8.310 nan 0.000 0.510 448 I N -1.856 118.679 120.570 -0.058 0.000 3.874 448 I HA 0.619 4.783 4.170 -0.009 0.000 0.331 448 I C 1.059 177.141 176.117 -0.058 0.000 1.489 448 I CA -0.149 61.123 61.300 -0.046 0.000 1.187 448 I CB -0.664 37.313 38.000 -0.039 0.000 1.150 448 I HN 0.245 nan 8.210 nan 0.000 0.412 449 G N 1.456 110.209 108.800 -0.078 0.000 2.225 449 G HA2 -0.215 3.740 3.960 -0.009 0.000 0.267 449 G HA3 -0.215 3.740 3.960 -0.009 0.000 0.267 449 G C 0.012 174.840 174.900 -0.118 0.000 1.024 449 G CA 0.397 45.468 45.100 -0.048 0.000 0.784 449 G HN 0.411 nan 8.290 nan 0.000 0.507 450 V N 1.701 121.441 119.914 -0.291 0.000 2.513 450 V HA 0.678 4.793 4.120 -0.009 0.000 0.299 450 V C 0.201 176.020 176.094 -0.457 0.000 1.035 450 V CA -0.848 61.319 62.300 -0.222 0.000 0.889 450 V CB 1.667 33.426 31.823 -0.106 0.000 0.988 450 V HN 0.420 nan 8.190 nan 0.000 0.440 451 H N 1.584 120.659 119.070 0.009 0.000 2.928 451 H HA 0.603 5.154 4.556 -0.008 0.000 0.371 451 H C -0.380 174.954 175.328 0.009 0.000 1.186 451 H CA -0.534 55.519 56.048 0.010 0.000 1.134 451 H CB 2.576 32.343 29.762 0.009 0.000 1.824 451 H HN 0.707 nan 8.280 nan 0.000 0.554 452 T N -0.966 113.671 114.554 0.139 0.000 2.940 452 T HA 0.539 4.884 4.350 -0.009 0.000 0.288 452 T C -0.514 174.228 174.700 0.070 0.000 1.033 452 T CA -0.690 61.458 62.100 0.080 0.000 1.033 452 T CB 2.595 71.494 68.868 0.051 0.000 1.079 452 T HN 0.556 nan 8.240 nan 0.000 0.496 453 D N -1.500 118.927 120.400 0.045 0.000 2.694 453 D HA 0.681 5.316 4.640 -0.009 0.000 0.260 453 D C -0.353 175.959 176.300 0.020 0.000 1.250 453 D CA 0.530 54.548 54.000 0.030 0.000 0.763 453 D CB 1.687 42.501 40.800 0.023 0.000 1.311 453 D HN 1.165 nan 8.370 nan 0.000 0.420 454 G N -0.856 107.952 108.800 0.014 0.000 2.323 454 G HA2 0.534 4.489 3.960 -0.009 0.000 0.291 454 G HA3 0.534 4.489 3.960 -0.009 0.000 0.291 454 G C -1.389 173.515 174.900 0.006 0.000 1.278 454 G CA 0.003 45.108 45.100 0.010 0.000 0.860 454 G HN 1.071 nan 8.290 nan 0.000 0.504 455 V N -1.853 118.064 119.914 0.004 0.000 2.864 455 V HA 1.001 5.116 4.120 -0.009 0.000 0.314 455 V C -0.053 176.041 176.094 0.001 0.000 1.073 455 V CA -0.009 62.292 62.300 0.002 0.000 0.956 455 V CB 1.371 33.195 31.823 0.001 0.000 1.023 455 V HN 2.076 nan 8.190 nan 0.000 0.435 456 S N 0.345 116.045 115.700 0.000 0.000 2.556 456 S HA 0.535 4.999 4.470 -0.009 0.000 0.271 456 S C 0.375 174.973 174.600 -0.003 0.000 1.135 456 S CA 0.042 58.241 58.200 -0.002 0.000 0.858 456 S CB 1.496 64.695 63.200 -0.002 0.000 1.114 456 S HN 1.529 nan 8.310 nan 0.000 0.468 457 T N -1.883 112.668 114.554 -0.004 0.000 3.081 457 T HA 0.341 4.685 4.350 -0.009 0.000 0.255 457 T C 0.618 175.314 174.700 -0.005 0.000 1.113 457 T CA 0.577 62.675 62.100 -0.004 0.000 1.082 457 T CB -0.138 68.727 68.868 -0.005 0.000 0.939 457 T HN 0.864 nan 8.240 nan 0.000 0.506 458 S N 0.631 116.327 115.700 -0.007 0.000 2.537 458 S HA 0.519 4.984 4.470 -0.009 0.000 0.270 458 S C -2.613 171.982 174.600 -0.009 0.000 1.142 458 S CA -1.221 56.974 58.200 -0.008 0.000 0.870 458 S CB 1.898 65.092 63.200 -0.010 0.000 1.112 458 S HN -0.123 nan 8.310 nan 0.000 0.466 459 P HA -0.001 nan 4.420 nan 0.000 0.222 459 P C 1.335 178.625 177.300 -0.016 0.000 1.147 459 P CA 0.426 63.520 63.100 -0.010 0.000 0.790 459 P CB 0.078 31.773 31.700 -0.008 0.000 0.780 460 L N -0.514 120.697 121.223 -0.019 0.000 2.265 460 L HA -0.084 4.251 4.340 -0.009 0.000 0.215 460 L C 2.226 179.080 176.870 -0.026 0.000 1.117 460 L CA 1.460 56.284 54.840 -0.027 0.000 0.782 460 L CB -1.974 40.069 42.059 -0.027 0.000 0.914 460 L HN -0.032 nan 8.230 nan 0.000 0.441 461 A N -1.885 120.924 122.820 -0.019 0.000 2.169 461 A HA -0.054 4.260 4.320 -0.009 0.000 0.212 461 A C 1.355 178.931 177.584 -0.014 0.000 1.153 461 A CA 0.399 52.426 52.037 -0.017 0.000 0.756 461 A CB -0.248 18.744 19.000 -0.013 0.000 0.813 461 A HN 0.247 nan 8.150 nan 0.000 0.471 462 D N 0.811 121.202 120.400 -0.014 0.000 3.134 462 D HA 0.283 4.918 4.640 -0.009 0.000 0.248 462 D C -0.977 175.317 176.300 -0.010 0.000 1.273 462 D CA 0.253 54.248 54.000 -0.008 0.000 0.904 462 D CB -0.084 40.713 40.800 -0.005 0.000 1.089 462 D HN 0.022 nan 8.370 nan 0.000 0.478 463 V N 1.162 121.068 119.914 -0.014 0.000 2.407 463 V HA 0.586 4.700 4.120 -0.009 0.000 0.291 463 V C -0.078 176.011 176.094 -0.007 0.000 1.018 463 V CA -0.518 61.772 62.300 -0.017 0.000 0.842 463 V CB 1.451 33.255 31.823 -0.032 0.000 0.996 463 V HN 0.369 nan 8.190 nan 0.000 0.426 464 S N 3.663 119.364 115.700 0.003 0.000 2.627 464 S HA 0.421 4.886 4.470 -0.009 0.000 0.268 464 S C 0.324 174.937 174.600 0.021 0.000 1.130 464 S CA -0.403 57.802 58.200 0.009 0.000 0.819 464 S CB 1.241 64.445 63.200 0.008 0.000 1.100 464 S HN 0.520 nan 8.310 nan 0.000 0.465 465 I N 1.361 121.945 120.570 0.024 0.000 2.423 465 I HA -0.122 4.042 4.170 -0.009 0.000 0.254 465 I C 2.190 178.328 176.117 0.035 0.000 1.151 465 I CA 2.178 63.498 61.300 0.034 0.000 1.421 465 I CB -0.098 37.920 38.000 0.031 0.000 1.079 465 I HN 0.973 nan 8.210 nan 0.000 0.431 466 T N -1.479 113.091 114.554 0.026 0.000 3.144 466 T HA 0.210 4.555 4.350 -0.009 0.000 0.249 466 T C 0.702 175.421 174.700 0.031 0.000 1.089 466 T CA -0.425 61.689 62.100 0.024 0.000 0.989 466 T CB -0.138 68.740 68.868 0.017 0.000 0.992 466 T HN 0.094 nan 8.240 nan 0.000 0.540 467 R N 0.821 121.342 120.500 0.035 0.000 2.803 467 R HA 0.747 5.081 4.340 -0.009 0.000 0.276 467 R C -0.282 176.047 176.300 0.049 0.000 0.978 467 R CA -0.725 55.398 56.100 0.038 0.000 0.939 467 R CB 1.525 31.840 30.300 0.027 0.000 1.179 467 R HN 0.270 nan 8.270 nan 0.000 0.472 468 A N 2.113 124.966 122.820 0.055 0.000 2.565 468 A HA 0.025 4.340 4.320 -0.009 0.000 0.237 468 A C 0.114 177.719 177.584 0.035 0.000 1.053 468 A CA -0.231 51.848 52.037 0.071 0.000 0.755 468 A CB -0.046 18.994 19.000 0.067 0.000 0.980 468 A HN 0.563 nan 8.150 nan 0.000 0.506 469 L N 5.754 126.984 121.223 0.010 0.000 2.500 469 L HA 0.287 4.621 4.340 -0.009 0.000 0.272 469 L C -1.760 175.064 176.870 -0.077 0.000 1.149 469 L CA -1.265 53.505 54.840 -0.117 0.000 0.897 469 L CB 0.242 42.033 42.059 -0.447 0.000 1.178 469 L HN 0.496 nan 8.230 nan 0.000 0.473 470 P HA 0.169 nan 4.420 nan 0.000 0.271 470 P C -2.326 174.962 177.300 -0.020 0.000 1.216 470 P CA -1.427 61.661 63.100 -0.020 0.000 0.776 470 P CB 0.369 32.059 31.700 -0.016 0.000 0.881 471 P HA -0.189 nan 4.420 nan 0.000 0.217 471 P C 1.148 178.454 177.300 0.009 0.000 1.148 471 P CA 1.577 64.686 63.100 0.014 0.000 0.828 471 P CB 0.082 31.795 31.700 0.022 0.000 0.783 472 E N -0.139 120.060 120.200 -0.002 0.000 2.153 472 E HA -0.099 4.246 4.350 -0.009 0.000 0.194 472 E C 2.208 178.794 176.600 -0.023 0.000 0.988 472 E CA 1.506 57.902 56.400 -0.008 0.000 0.811 472 E CB -0.918 28.775 29.700 -0.010 0.000 0.746 472 E HN 0.229 nan 8.360 nan 0.000 0.466 473 A N 0.451 123.249 122.820 -0.036 0.000 1.930 473 A HA -0.176 4.139 4.320 -0.009 0.000 0.215 473 A C 2.023 179.557 177.584 -0.085 0.000 1.176 473 A CA 1.076 53.072 52.037 -0.069 0.000 0.632 473 A CB -0.310 18.644 19.000 -0.077 0.000 0.819 473 A HN 0.154 nan 8.150 nan 0.000 0.445 474 Q N -0.169 119.619 119.800 -0.020 0.000 2.014 474 Q HA -0.164 4.170 4.340 -0.009 0.000 0.207 474 Q C 2.066 178.114 176.000 0.079 0.000 0.993 474 Q CA 1.807 57.670 55.803 0.101 0.000 0.850 474 Q CB -0.406 28.415 28.738 0.138 0.000 0.916 474 Q HN 0.656 nan 8.270 nan 0.000 0.417 475 L N -0.093 121.158 121.223 0.047 0.000 2.043 475 L HA -0.248 4.087 4.340 -0.009 0.000 0.212 475 L C 2.524 179.389 176.870 -0.007 0.000 1.075 475 L CA 0.873 55.734 54.840 0.036 0.000 0.752 475 L CB -0.424 41.649 42.059 0.023 0.000 0.891 475 L HN 0.418 nan 8.230 nan 0.000 0.432 476 M N -1.284 118.285 119.600 -0.051 0.000 2.175 476 M HA -0.190 4.285 4.480 -0.009 0.000 0.264 476 M C 2.320 178.531 176.300 -0.149 0.000 1.063 476 M CA 1.799 57.050 55.300 -0.081 0.000 1.119 476 M CB -0.644 31.906 32.600 -0.083 0.000 1.377 476 M HN 0.315 nan 8.290 nan 0.000 0.415 477 M N -0.547 118.882 119.600 -0.285 0.000 2.175 477 M HA -0.215 4.260 4.480 -0.009 0.000 0.264 477 M C 2.185 178.257 176.300 -0.379 0.000 1.063 477 M CA 1.513 56.489 55.300 -0.540 0.000 1.119 477 M CB -0.452 31.411 32.600 -1.228 0.000 1.377 477 M HN 0.163 nan 8.290 nan 0.000 0.415 478 Q N 0.832 120.559 119.800 -0.122 0.000 2.124 478 Q HA -0.152 4.182 4.340 -0.009 0.000 0.202 478 Q C 1.786 177.825 176.000 0.065 0.000 0.977 478 Q CA 1.417 57.300 55.803 0.133 0.000 0.850 478 Q CB -0.280 28.597 28.738 0.232 0.000 0.901 478 Q HN 0.423 nan 8.270 nan 0.000 0.429 479 L N -0.436 120.797 121.223 0.017 0.000 2.005 479 L HA -0.078 4.257 4.340 -0.009 0.000 0.207 479 L C 2.282 179.166 176.870 0.023 0.000 1.072 479 L CA 2.187 57.042 54.840 0.024 0.000 0.744 479 L CB -1.318 40.746 42.059 0.008 0.000 0.895 479 L HN 0.245 nan 8.230 nan 0.000 0.433 480 S N -0.592 115.098 115.700 -0.017 0.000 2.372 480 S HA -0.211 4.254 4.470 -0.009 0.000 0.227 480 S C 2.010 176.629 174.600 0.031 0.000 1.044 480 S CA 1.814 60.004 58.200 -0.018 0.000 1.050 480 S CB -0.360 62.791 63.200 -0.083 0.000 0.901 480 S HN 0.419 nan 8.310 nan 0.000 0.447 481 I N 1.491 122.089 120.570 0.046 0.000 2.315 481 I HA -0.077 4.088 4.170 -0.009 0.000 0.248 481 I C 2.351 178.568 176.117 0.167 0.000 1.117 481 I CA 1.329 62.700 61.300 0.118 0.000 1.404 481 I CB -1.427 36.674 38.000 0.169 0.000 1.071 481 I HN 0.446 nan 8.210 nan 0.000 0.419 482 E N 0.312 120.595 120.200 0.138 0.000 2.077 482 E HA -0.233 4.111 4.350 -0.009 0.000 0.193 482 E C 1.995 178.706 176.600 0.184 0.000 0.989 482 E CA 1.087 57.578 56.400 0.152 0.000 0.800 482 E CB -0.165 29.599 29.700 0.105 0.000 0.746 482 E HN 0.444 nan 8.360 nan 0.000 0.452 483 N N 0.499 119.280 118.700 0.136 0.000 2.171 483 N HA -0.106 4.629 4.740 -0.009 0.000 0.184 483 N C 2.024 177.628 175.510 0.158 0.000 1.021 483 N CA 1.263 54.388 53.050 0.125 0.000 0.854 483 N CB -0.057 38.477 38.487 0.078 0.000 0.994 483 N HN 0.154 nan 8.380 nan 0.000 0.426 484 G N -0.276 108.628 108.800 0.173 0.000 2.418 484 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.217 484 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.217 484 G C 1.449 176.545 174.900 0.326 0.000 1.158 484 G CA 0.682 45.915 45.100 0.223 0.000 0.771 484 G HN 0.427 nan 8.290 nan 0.000 0.545 485 Y N 1.270 121.702 120.300 0.220 0.000 2.165 485 Y HA -0.121 4.423 4.550 -0.009 0.000 0.286 485 Y C 2.781 178.804 175.900 0.204 0.000 1.155 485 Y CA 2.280 60.527 58.100 0.245 0.000 1.164 485 Y CB -0.113 38.451 38.460 0.174 0.000 0.978 485 Y HN 0.181 nan 8.280 nan 0.000 0.513 486 K N -0.300 120.219 120.400 0.199 0.000 2.057 486 K HA -0.242 4.072 4.320 -0.009 0.000 0.206 486 K C 2.328 178.940 176.600 0.020 0.000 1.050 486 K CA 1.219 57.556 56.287 0.082 0.000 0.935 486 K CB -0.163 32.412 32.500 0.124 0.000 0.715 486 K HN 0.088 nan 8.250 nan 0.000 0.439 487 R N 0.632 121.176 120.500 0.074 0.000 2.112 487 R HA -0.192 4.143 4.340 -0.009 0.000 0.242 487 R C 2.019 178.272 176.300 -0.079 0.000 1.137 487 R CA 1.806 57.926 56.100 0.033 0.000 0.944 487 R CB -1.162 29.226 30.300 0.145 0.000 0.857 487 R HN 0.232 nan 8.270 nan 0.000 0.435 488 F N 1.321 121.115 119.950 -0.260 0.000 2.046 488 F HA -0.145 4.376 4.527 -0.010 0.000 0.297 488 F C 2.099 177.663 175.800 -0.393 0.000 1.123 488 F CA 1.764 59.494 58.000 -0.450 0.000 1.199 488 F CB -0.980 37.918 39.000 -0.171 0.000 0.972 488 F HN 0.198 nan 8.300 nan 0.000 0.474 489 I N -2.926 117.498 120.570 -0.243 0.000 2.493 489 I HA -0.186 3.979 4.170 -0.009 0.000 0.254 489 I C 2.002 178.028 176.117 -0.151 0.000 1.160 489 I CA 1.627 62.753 61.300 -0.290 0.000 1.445 489 I CB -1.377 36.388 38.000 -0.392 0.000 1.086 489 I HN -0.021 nan 8.210 nan 0.000 0.433 490 T N 2.057 116.538 114.554 -0.121 0.000 2.674 490 T HA -0.051 4.294 4.350 -0.009 0.000 0.265 490 T C 2.015 176.649 174.700 -0.109 0.000 1.039 490 T CA 1.604 63.651 62.100 -0.089 0.000 1.150 490 T CB -0.374 68.457 68.868 -0.062 0.000 0.864 490 T HN 0.312 nan 8.240 nan 0.000 0.427 491 L N 0.708 121.835 121.223 -0.159 0.000 2.043 491 L HA -0.145 4.190 4.340 -0.009 0.000 0.212 491 L C 2.607 179.385 176.870 -0.153 0.000 1.075 491 L CA 1.272 55.987 54.840 -0.208 0.000 0.752 491 L CB -0.534 41.279 42.059 -0.410 0.000 0.891 491 L HN 0.184 nan 8.230 nan 0.000 0.432 492 V N -0.504 119.353 119.914 -0.096 0.000 2.379 492 V HA -0.205 3.909 4.120 -0.009 0.000 0.245 492 V C 2.620 178.686 176.094 -0.047 0.000 1.044 492 V CA 1.602 63.889 62.300 -0.022 0.000 1.036 492 V CB -0.526 31.314 31.823 0.027 0.000 0.664 492 V HN 0.477 nan 8.190 nan 0.000 0.453 493 A N -0.093 122.687 122.820 -0.066 0.000 1.930 493 A HA -0.216 4.099 4.320 -0.009 0.000 0.217 493 A C 1.899 179.440 177.584 -0.072 0.000 1.175 493 A CA 1.955 53.959 52.037 -0.055 0.000 0.627 493 A CB -0.514 18.458 19.000 -0.046 0.000 0.815 493 A HN 0.540 nan 8.150 nan 0.000 0.443 494 D N -0.129 120.217 120.400 -0.091 0.000 2.183 494 D HA 0.080 4.715 4.640 -0.009 0.000 0.203 494 D C 1.998 178.195 176.300 -0.172 0.000 0.969 494 D CA 1.315 55.251 54.000 -0.108 0.000 0.842 494 D CB -0.219 40.525 40.800 -0.093 0.000 0.957 494 D HN 0.433 nan 8.370 nan 0.000 0.484 495 A N 0.188 122.906 122.820 -0.171 0.000 2.081 495 A HA 0.028 4.343 4.320 -0.009 0.000 0.214 495 A C 1.432 178.851 177.584 -0.275 0.000 1.158 495 A CA 0.533 52.442 52.037 -0.213 0.000 0.724 495 A CB 0.209 19.111 19.000 -0.164 0.000 0.826 495 A HN -0.067 nan 8.150 nan 0.000 0.463 496 R N 0.639 121.026 120.500 -0.188 0.000 2.791 496 R HA 0.145 4.480 4.340 -0.009 0.000 0.357 496 R C -0.790 175.495 176.300 -0.025 0.000 1.173 496 R CA -0.563 55.478 56.100 -0.097 0.000 1.060 496 R CB -0.981 29.325 30.300 0.011 0.000 1.406 496 R HN 0.649 nan 8.270 nan 0.000 0.580 497 H N -0.608 118.456 119.070 -0.010 0.000 2.394 497 H HA -0.185 4.366 4.556 -0.009 0.000 0.322 497 H C -0.022 175.299 175.328 -0.012 0.000 1.012 497 H CA 1.044 57.086 56.048 -0.010 0.000 1.084 497 H CB -1.028 28.729 29.762 -0.007 0.000 1.597 497 H HN 0.217 nan 8.280 nan 0.000 0.375 498 S N -0.148 115.578 115.700 0.043 0.000 2.732 498 S HA 0.590 5.054 4.470 -0.009 0.000 0.293 498 S C 0.072 174.678 174.600 0.009 0.000 1.159 498 S CA -0.084 58.132 58.200 0.027 0.000 0.847 498 S CB 2.215 65.422 63.200 0.012 0.000 1.169 498 S HN 0.514 nan 8.310 nan 0.000 0.501 499 T N 0.434 114.992 114.554 0.007 0.000 2.928 499 T HA 0.535 4.880 4.350 -0.009 0.000 0.284 499 T C -2.216 172.482 174.700 -0.002 0.000 1.008 499 T CA -1.640 60.463 62.100 0.004 0.000 1.057 499 T CB 0.960 69.835 68.868 0.011 0.000 1.018 499 T HN 0.308 nan 8.240 nan 0.000 0.493 500 P HA -0.104 nan 4.420 nan 0.000 0.216 500 P C 1.274 178.585 177.300 0.018 0.000 1.153 500 P CA 1.033 64.130 63.100 -0.006 0.000 0.858 500 P CB 0.121 31.822 31.700 0.001 0.000 0.789 501 E N -1.220 118.998 120.200 0.029 0.000 2.338 501 E HA -0.212 4.132 4.350 -0.009 0.000 0.197 501 E C 1.980 178.604 176.600 0.040 0.000 1.007 501 E CA 0.588 57.014 56.400 0.043 0.000 0.849 501 E CB -0.018 29.704 29.700 0.037 0.000 0.774 501 E HN 0.085 nan 8.360 nan 0.000 0.506 502 Q N -0.127 119.688 119.800 0.025 0.000 2.134 502 Q HA 0.004 4.338 4.340 -0.009 0.000 0.195 502 Q C 1.848 177.860 176.000 0.020 0.000 0.958 502 Q CA 0.752 56.567 55.803 0.020 0.000 0.840 502 Q CB 0.113 28.856 28.738 0.009 0.000 0.918 502 Q HN 0.255 nan 8.270 nan 0.000 0.467 503 I N 1.261 121.836 120.570 0.008 0.000 2.423 503 I HA -0.229 3.936 4.170 -0.009 0.000 0.254 503 I C 1.651 177.789 176.117 0.034 0.000 1.151 503 I CA 1.439 62.737 61.300 -0.004 0.000 1.421 503 I CB -1.171 36.800 38.000 -0.048 0.000 1.079 503 I HN 0.316 nan 8.210 nan 0.000 0.431 504 D N 1.275 121.717 120.400 0.071 0.000 2.149 504 D HA -0.205 4.429 4.640 -0.009 0.000 0.198 504 D C 2.009 178.403 176.300 0.156 0.000 0.990 504 D CA 1.322 55.416 54.000 0.158 0.000 0.839 504 D CB 0.065 40.973 40.800 0.180 0.000 0.948 504 D HN 0.216 nan 8.370 nan 0.000 0.460 505 K N -0.511 119.955 120.400 0.111 0.000 2.504 505 K HA 0.051 4.365 4.320 -0.009 0.000 0.195 505 K C 1.298 177.981 176.600 0.137 0.000 1.036 505 K CA 0.718 57.072 56.287 0.113 0.000 0.984 505 K CB 0.103 32.646 32.500 0.071 0.000 0.788 505 K HN 0.480 nan 8.250 nan 0.000 0.488 506 I N -5.295 115.362 120.570 0.145 0.000 4.102 506 I HA 0.367 4.532 4.170 -0.009 0.000 0.325 506 I C 0.719 176.997 176.117 0.269 0.000 1.471 506 I CA -0.466 60.980 61.300 0.244 0.000 1.133 506 I CB 0.709 38.778 38.000 0.115 0.000 1.184 506 I HN -0.156 nan 8.210 nan 0.000 0.451 507 A N 0.837 123.764 122.820 0.179 0.000 3.469 507 A HA 0.344 4.659 4.320 -0.009 0.000 0.198 507 A C 0.904 178.631 177.584 0.237 0.000 2.008 507 A CA 0.275 52.394 52.037 0.137 0.000 1.746 507 A CB -0.161 18.891 19.000 0.087 0.000 1.237 507 A HN 0.358 nan 8.150 nan 0.000 0.358 508 Q N -1.397 118.601 119.800 0.330 0.000 2.437 508 Q HA -0.250 4.085 4.340 -0.009 0.000 0.274 508 Q C 0.907 177.074 176.000 0.279 0.000 1.165 508 Q CA 1.636 57.600 55.803 0.268 0.000 0.925 508 Q CB -2.329 26.568 28.738 0.265 0.000 1.327 508 Q HN 2.123 nan 8.270 nan 0.000 0.505 509 G N -0.340 108.599 108.800 0.231 0.000 2.168 509 G HA2 -0.365 3.590 3.960 -0.009 0.000 0.263 509 G HA3 -0.365 3.590 3.960 -0.009 0.000 0.263 509 G C -0.001 174.948 174.900 0.082 0.000 0.977 509 G CA 0.550 45.753 45.100 0.172 0.000 0.659 509 G HN 0.641 nan 8.290 nan 0.000 0.533 510 H N 0.523 119.530 119.070 -0.105 0.000 2.975 510 H HA 0.361 4.912 4.556 -0.008 0.000 0.303 510 H C 0.732 175.612 175.328 -0.747 0.000 1.023 510 H CA 0.742 56.484 56.048 -0.511 0.000 1.473 510 H CB 1.102 30.294 29.762 -0.950 0.000 1.498 510 H HN 0.391 nan 8.280 nan 0.000 0.549 511 V N 7.064 126.672 119.914 -0.511 0.000 2.686 511 V HA 0.213 4.328 4.120 -0.009 0.000 0.295 511 V C -1.014 174.875 176.094 -0.342 0.000 1.055 511 V CA -0.189 61.870 62.300 -0.402 0.000 1.050 511 V CB 0.243 31.826 31.823 -0.400 0.000 0.984 511 V HN 0.709 nan 8.190 nan 0.000 0.482 512 W N 3.249 124.540 121.300 -0.014 0.000 3.032 512 W HA 0.603 5.259 4.660 -0.008 0.000 0.335 512 W C 0.248 176.759 176.519 -0.013 0.000 1.154 512 W CA -0.658 56.704 57.345 0.030 0.000 1.204 512 W CB 1.871 31.322 29.460 -0.014 0.000 1.416 512 W HN 0.835 nan 8.180 nan 0.000 0.521 513 T N -1.490 113.266 114.554 0.336 0.000 2.860 513 T HA 0.232 4.577 4.350 -0.009 0.000 0.299 513 T C 1.301 176.095 174.700 0.157 0.000 1.045 513 T CA 0.140 62.368 62.100 0.214 0.000 1.071 513 T CB 1.206 70.217 68.868 0.238 0.000 0.985 513 T HN 0.723 nan 8.240 nan 0.000 0.537 514 G N 0.313 109.182 108.800 0.115 0.000 2.517 514 G HA2 -0.294 3.660 3.960 -0.009 0.000 0.222 514 G HA3 -0.294 3.660 3.960 -0.009 0.000 0.222 514 G C 1.396 176.326 174.900 0.051 0.000 1.109 514 G CA 1.237 46.385 45.100 0.081 0.000 0.746 514 G HN 0.813 nan 8.290 nan 0.000 0.576 515 Q N 0.294 120.132 119.800 0.064 0.000 2.062 515 Q HA -0.020 4.315 4.340 -0.009 0.000 0.196 515 Q C 2.044 178.031 176.000 -0.021 0.000 0.967 515 Q CA 1.577 57.401 55.803 0.034 0.000 0.832 515 Q CB -0.169 28.607 28.738 0.064 0.000 0.899 515 Q HN 0.314 nan 8.270 nan 0.000 0.442 516 D N 0.104 120.498 120.400 -0.010 0.000 2.144 516 D HA -0.104 4.530 4.640 -0.009 0.000 0.199 516 D C 1.632 177.727 176.300 -0.340 0.000 0.984 516 D CA 1.291 55.187 54.000 -0.174 0.000 0.834 516 D CB -0.329 40.428 40.800 -0.072 0.000 0.955 516 D HN 0.413 nan 8.370 nan 0.000 0.465 517 A N 1.072 123.792 122.820 -0.166 0.000 1.883 517 A HA -0.233 4.081 4.320 -0.009 0.000 0.217 517 A C 2.095 179.588 177.584 -0.152 0.000 1.186 517 A CA 1.727 53.664 52.037 -0.167 0.000 0.624 517 A CB -0.509 18.483 19.000 -0.013 0.000 0.822 517 A HN 0.136 nan 8.150 nan 0.000 0.444 518 K N -0.490 119.853 120.400 -0.095 0.000 2.097 518 K HA -0.090 4.225 4.320 -0.009 0.000 0.206 518 K C 2.034 178.569 176.600 -0.108 0.000 1.049 518 K CA 1.182 57.420 56.287 -0.081 0.000 0.933 518 K CB -0.275 32.196 32.500 -0.048 0.000 0.717 518 K HN 0.401 nan 8.250 nan 0.000 0.442 519 A N 1.640 124.375 122.820 -0.143 0.000 2.119 519 A HA -0.123 4.191 4.320 -0.009 0.000 0.217 519 A C 1.299 178.767 177.584 -0.194 0.000 1.153 519 A CA 1.385 53.332 52.037 -0.151 0.000 0.692 519 A CB -0.554 18.353 19.000 -0.155 0.000 0.799 519 A HN 0.727 nan 8.150 nan 0.000 0.458 520 N N -2.639 115.903 118.700 -0.263 0.000 2.203 520 N HA 0.318 5.053 4.740 -0.009 0.000 0.207 520 N C 0.946 176.356 175.510 -0.166 0.000 1.130 520 N CA 0.654 53.544 53.050 -0.266 0.000 0.861 520 N CB 0.486 38.703 38.487 -0.449 0.000 1.005 520 N HN 0.429 nan 8.380 nan 0.000 0.507 521 G N 1.381 110.109 108.800 -0.120 0.000 2.195 521 G HA2 -0.274 3.681 3.960 -0.009 0.000 0.246 521 G HA3 -0.274 3.681 3.960 -0.009 0.000 0.246 521 G C 0.703 175.589 174.900 -0.023 0.000 0.984 521 G CA 0.251 45.317 45.100 -0.057 0.000 0.633 521 G HN 0.262 nan 8.290 nan 0.000 0.525 522 L N -0.395 120.802 121.223 -0.044 0.000 2.201 522 L HA 0.196 4.531 4.340 -0.009 0.000 0.212 522 L C 1.067 178.015 176.870 0.130 0.000 1.105 522 L CA 0.956 55.827 54.840 0.052 0.000 0.775 522 L CB -0.171 41.836 42.059 -0.087 0.000 0.913 522 L HN 0.221 nan 8.230 nan 0.000 0.440 523 V N -1.045 118.882 119.914 0.022 0.000 2.876 523 V HA 0.178 4.292 4.120 -0.009 0.000 0.312 523 V C -0.061 175.965 176.094 -0.114 0.000 1.085 523 V CA -0.646 61.644 62.300 -0.016 0.000 0.945 523 V CB 2.470 34.295 31.823 0.003 0.000 1.017 523 V HN -0.012 nan 8.190 nan 0.000 0.428 524 D N 1.141 121.385 120.400 -0.260 0.000 2.262 524 D HA 0.109 4.744 4.640 -0.009 0.000 0.212 524 D C 0.667 176.801 176.300 -0.277 0.000 0.964 524 D CA 1.050 54.817 54.000 -0.389 0.000 0.875 524 D CB 0.901 41.117 40.800 -0.972 0.000 0.996 524 D HN 0.653 nan 8.370 nan 0.000 0.497 525 S N -0.590 114.969 115.700 -0.235 0.000 2.596 525 S HA 0.542 5.007 4.470 -0.009 0.000 0.270 525 S C -1.125 173.470 174.600 -0.008 0.000 1.155 525 S CA -0.961 57.205 58.200 -0.055 0.000 0.827 525 S CB 1.568 64.811 63.200 0.073 0.000 1.130 525 S HN -0.008 nan 8.310 nan 0.000 0.467 526 L N 1.790 123.032 121.223 0.032 0.000 2.275 526 L HA 0.797 5.132 4.340 -0.009 0.000 0.288 526 L C 0.803 177.714 176.870 0.070 0.000 1.046 526 L CA 0.073 54.943 54.840 0.049 0.000 0.805 526 L CB 1.009 43.097 42.059 0.049 0.000 1.193 526 L HN 1.182 nan 8.230 nan 0.000 0.426 527 G N 2.346 111.191 108.800 0.075 0.000 2.364 527 G HA2 0.377 4.332 3.960 -0.009 0.000 0.286 527 G HA3 0.377 4.332 3.960 -0.009 0.000 0.286 527 G C -2.133 172.812 174.900 0.075 0.000 1.241 527 G CA -0.322 44.829 45.100 0.085 0.000 0.887 527 G HN 0.586 nan 8.290 nan 0.000 0.484 528 D N -1.984 118.454 120.400 0.064 0.000 2.758 528 D HA 0.585 5.219 4.640 -0.009 0.000 0.262 528 D C 1.029 177.336 176.300 0.011 0.000 1.113 528 D CA -0.804 53.193 54.000 -0.004 0.000 1.114 528 D CB 0.563 41.340 40.800 -0.039 0.000 1.363 528 D HN 0.255 nan 8.370 nan 0.000 0.617 529 F N 0.776 120.548 119.950 -0.296 0.000 2.091 529 F HA -0.183 4.339 4.527 -0.009 0.000 0.299 529 F C 1.509 177.333 175.800 0.039 0.000 1.103 529 F CA 1.916 59.848 58.000 -0.113 0.000 1.228 529 F CB -0.412 38.549 39.000 -0.065 0.000 0.984 529 F HN 0.221 nan 8.300 nan 0.000 0.477 530 D N 0.264 120.705 120.400 0.069 0.000 2.133 530 D HA -0.203 4.432 4.640 -0.009 0.000 0.195 530 D C 1.923 178.206 176.300 -0.028 0.000 0.997 530 D CA 1.733 55.767 54.000 0.056 0.000 0.840 530 D CB -0.529 40.399 40.800 0.214 0.000 0.947 530 D HN 0.440 nan 8.370 nan 0.000 0.452 531 D N 0.205 120.610 120.400 0.008 0.000 2.183 531 D HA -0.043 4.592 4.640 -0.009 0.000 0.203 531 D C 1.958 178.253 176.300 -0.009 0.000 0.969 531 D CA 0.845 54.857 54.000 0.020 0.000 0.842 531 D CB 0.092 40.934 40.800 0.070 0.000 0.957 531 D HN 0.143 nan 8.370 nan 0.000 0.484 532 A N 0.995 123.783 122.820 -0.053 0.000 1.872 532 A HA -0.078 4.237 4.320 -0.009 0.000 0.214 532 A C 2.556 180.043 177.584 -0.162 0.000 1.187 532 A CA 0.754 52.753 52.037 -0.063 0.000 0.614 532 A CB -0.704 18.266 19.000 -0.050 0.000 0.826 532 A HN 0.081 nan 8.150 nan 0.000 0.442 533 V N 0.101 119.825 119.914 -0.317 0.000 2.255 533 V HA -0.285 3.829 4.120 -0.009 0.000 0.247 533 V C 3.092 179.114 176.094 -0.120 0.000 1.051 533 V CA 2.088 64.238 62.300 -0.250 0.000 1.018 533 V CB -1.282 30.372 31.823 -0.282 0.000 0.641 533 V HN 0.608 nan 8.190 nan 0.000 0.445 534 A N 0.031 122.794 122.820 -0.096 0.000 1.940 534 A HA -0.300 4.014 4.320 -0.009 0.000 0.219 534 A C 2.211 179.746 177.584 -0.082 0.000 1.176 534 A CA 2.481 54.480 52.037 -0.063 0.000 0.631 534 A CB -0.498 18.479 19.000 -0.038 0.000 0.814 534 A HN 0.513 nan 8.150 nan 0.000 0.446 535 K N 0.209 120.548 120.400 -0.103 0.000 2.031 535 K HA 0.120 4.434 4.320 -0.009 0.000 0.205 535 K C 2.009 178.526 176.600 -0.138 0.000 1.049 535 K CA 1.633 57.822 56.287 -0.163 0.000 0.939 535 K CB -0.746 31.622 32.500 -0.221 0.000 0.717 535 K HN 0.276 nan 8.250 nan 0.000 0.438 536 A N 1.001 123.762 122.820 -0.098 0.000 1.873 536 A HA -0.159 4.155 4.320 -0.009 0.000 0.218 536 A C 2.464 180.007 177.584 -0.067 0.000 1.193 536 A CA 2.663 54.654 52.037 -0.077 0.000 0.629 536 A CB -1.415 17.539 19.000 -0.076 0.000 0.826 536 A HN 0.477 nan 8.150 nan 0.000 0.447 537 A N -0.621 122.162 122.820 -0.061 0.000 1.908 537 A HA -0.229 4.085 4.320 -0.009 0.000 0.218 537 A C 2.083 179.637 177.584 -0.050 0.000 1.181 537 A CA 1.951 53.961 52.037 -0.046 0.000 0.627 537 A CB -0.619 18.359 19.000 -0.037 0.000 0.818 537 A HN 0.712 nan 8.150 nan 0.000 0.445 538 E N -0.161 119.998 120.200 -0.067 0.000 2.153 538 E HA -0.137 4.208 4.350 -0.009 0.000 0.194 538 E C 1.710 178.266 176.600 -0.074 0.000 0.988 538 E CA 0.893 57.250 56.400 -0.072 0.000 0.811 538 E CB -0.184 29.459 29.700 -0.095 0.000 0.746 538 E HN 0.654 nan 8.360 nan 0.000 0.466 539 L N 0.022 121.196 121.223 -0.083 0.000 2.465 539 L HA 0.017 4.352 4.340 -0.009 0.000 0.224 539 L C 1.654 178.497 176.870 -0.045 0.000 1.145 539 L CA 0.425 55.224 54.840 -0.068 0.000 0.834 539 L CB -0.132 41.884 42.059 -0.072 0.000 0.944 539 L HN 0.171 nan 8.230 nan 0.000 0.451 540 A N 0.234 123.030 122.820 -0.040 0.000 3.245 540 A HA 0.621 4.936 4.320 -0.009 0.000 0.202 540 A C -0.448 177.123 177.584 -0.023 0.000 1.796 540 A CA 0.042 52.063 52.037 -0.027 0.000 1.861 540 A CB 0.540 19.525 19.000 -0.024 0.000 1.445 540 A HN 0.163 nan 8.150 nan 0.000 0.438 541 K N -3.595 116.796 120.400 -0.016 0.000 2.658 541 K HA 0.690 5.005 4.320 -0.009 0.000 0.293 541 K C -0.436 176.163 176.600 -0.002 0.000 1.026 541 K CA 0.002 56.282 56.287 -0.011 0.000 0.871 541 K CB 1.083 33.578 32.500 -0.008 0.000 1.524 541 K HN 1.398 nan 8.250 nan 0.000 0.400 542 V N -2.655 117.259 119.914 -0.000 0.000 0.682 542 V HA -0.165 3.950 4.120 -0.009 0.000 0.092 542 V C -1.450 174.653 176.094 0.015 0.000 0.922 542 V CA 0.554 62.860 62.300 0.010 0.000 3.127 542 V CB -1.450 30.383 31.823 0.018 0.000 0.273 542 V HN 1.117 nan 8.190 nan 0.000 0.227 543 K N 2.800 123.218 120.400 0.030 0.000 2.426 543 K HA 0.815 5.130 4.320 -0.009 0.000 0.251 543 K C -0.924 175.720 176.600 0.073 0.000 0.941 543 K CA -0.653 55.659 56.287 0.041 0.000 0.808 543 K CB 3.103 35.627 32.500 0.041 0.000 1.265 543 K HN 0.801 nan 8.250 nan 0.000 0.432 544 Q N 1.995 121.843 119.800 0.079 0.000 2.892 544 Q HA 0.536 4.871 4.340 -0.009 0.000 0.307 544 Q C -1.152 174.972 176.000 0.207 0.000 1.039 544 Q CA -0.762 55.102 55.803 0.102 0.000 0.792 544 Q CB 2.159 30.893 28.738 -0.006 0.000 1.504 544 Q HN 0.918 nan 8.270 nan 0.000 0.487 545 W N -0.867 120.386 121.300 -0.078 0.000 2.989 545 W HA 0.499 5.153 4.660 -0.009 0.000 0.344 545 W C -1.999 174.498 176.519 -0.036 0.000 1.233 545 W CA -0.640 56.625 57.345 -0.134 0.000 1.187 545 W CB 0.156 29.581 29.460 -0.058 0.000 1.443 545 W HN 0.804 nan 8.180 nan 0.000 0.573 546 H N 1.898 120.942 119.070 -0.045 0.000 2.488 546 H HA 0.413 4.963 4.556 -0.009 0.000 0.322 546 H C -0.268 174.748 175.328 -0.520 0.000 1.078 546 H CA -0.948 54.927 56.048 -0.290 0.000 1.260 546 H CB 2.214 31.967 29.762 -0.015 0.000 1.425 546 H HN -0.036 nan 8.280 nan 0.000 0.471 547 L N 3.869 124.749 121.223 -0.571 0.000 2.257 547 L HA 0.245 4.580 4.340 -0.009 0.000 0.290 547 L C -0.022 176.622 176.870 -0.378 0.000 1.044 547 L CA -0.160 54.369 54.840 -0.518 0.000 0.810 547 L CB 0.703 42.401 42.059 -0.603 0.000 1.193 547 L HN 0.756 nan 8.230 nan 0.000 0.425 548 E N 3.147 123.190 120.200 -0.260 0.000 2.312 548 E HA 0.446 4.790 4.350 -0.009 0.000 0.259 548 E C -1.254 175.113 176.600 -0.390 0.000 1.122 548 E CA 0.005 56.304 56.400 -0.170 0.000 0.922 548 E CB 1.208 30.936 29.700 0.047 0.000 1.109 548 E HN 0.354 nan 8.360 nan 0.000 0.442 549 Y N 0.000 120.334 120.300 0.057 0.000 2.660 549 Y HA 0.000 4.544 4.550 -0.009 0.000 0.201 549 Y CA 0.000 58.131 58.100 0.052 0.000 1.940 549 Y CB 0.000 38.469 38.460 0.015 0.000 1.050 549 Y HN 0.000 nan 8.280 nan 0.000 0.758