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 2v1x_1_A DATA FIRST_RESID 63 DATA SEQUENCE SSPAAWNKED FPWSGKVKDI LQNVFKLEKF RPLQLETINV TMAGKEVFLV DATA SEQUENCE MPTGGGKSLC YQLPALCSDG FTLVICPLIS LMEDQLMVLK QLGISATMLN DATA SEQUENCE ASSSKEHVKW VHAEMVNKNS ELKLIYVTPE KIAKSKMFMS RLEKAYEARR DATA SEQUENCE FTRIAVDEVH CCSQWGHDFR PDYKALGILK RQFPNASLIG LTATATNHVL DATA SEQUENCE TDAQKILCIE KCFTFTASFN RPNLYYEVRQ KPSNTEDFIE DIVKLINGRY DATA SEQUENCE KGQSGIIYCF SQKDSEQVTV SLQNLGIHAG AYHANLEPED KTTVHRKWSA DATA SEQUENCE NEIQVVVATV AFGMGIDKPD VRFVIHHSMS KSMENYYQES GRAGRDDMKA DATA SEQUENCE DCILYYGFGD IFRISSMVVM ENVGQQKLYE MVSYCQNISK CRRVLMAQHF DATA SEQUENCE DEVWXXXACN KMCDNCCKDS AFERKNITEY CRDLIKILKQ AEELNEKLTP DATA SEQUENCE LKLIDSWMGK GAAKLRVAGV VAPTLPREDL EKIIAHFLIQ QYLKEDYSFT DATA SEQUENCE AYATISYLKI GPKANLLNNE AHAITMQVTK 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 63 S HA 0.000 nan 4.470 nan 0.000 0.327 63 S C 0.000 174.936 174.600 0.560 0.000 1.055 63 S CA 0.000 58.477 58.200 0.461 0.000 1.107 63 S CB 0.000 63.507 63.200 0.511 0.000 0.593 64 S N -0.101 115.842 115.700 0.406 0.000 2.730 64 S HA 0.720 7.947 4.470 4.596 0.000 0.284 64 S C -2.188 172.594 174.600 0.302 0.000 1.153 64 S CA -1.465 56.936 58.200 0.335 0.000 0.995 64 S CB 0.416 63.722 63.200 0.176 0.000 1.058 64 S HN 0.498 nan 8.310 nan 0.000 0.552 65 P HA -0.066 nan 4.420 nan 0.000 0.217 65 P C 1.510 178.750 177.300 -0.100 0.000 1.148 65 P CA 1.835 64.634 63.100 -0.501 0.000 0.828 65 P CB -0.365 30.890 31.700 -0.742 0.000 0.783 66 A N 0.453 123.260 122.820 -0.022 0.000 1.908 66 A HA -0.140 6.937 4.320 4.596 0.000 0.218 66 A C 2.332 179.923 177.584 0.010 0.000 1.181 66 A CA 2.125 54.159 52.037 -0.004 0.000 0.627 66 A CB -1.611 17.389 19.000 -0.001 0.000 0.818 66 A HN 0.220 nan 8.150 nan 0.000 0.445 67 A N -2.381 120.451 122.820 0.020 0.000 2.178 67 A HA -0.066 7.011 4.320 4.596 0.000 0.218 67 A C 1.554 178.968 177.584 -0.283 0.000 1.157 67 A CA 1.173 53.125 52.037 -0.142 0.000 0.689 67 A CB -0.712 18.178 19.000 -0.184 0.000 0.787 67 A HN 0.777 nan 8.150 nan 0.000 0.465 68 W N -1.577 119.733 121.300 0.017 0.000 3.008 68 W HA 0.291 7.708 4.660 4.595 0.000 0.355 68 W C 0.539 177.089 176.519 0.052 0.000 1.095 68 W CA -0.492 56.900 57.345 0.079 0.000 1.738 68 W CB 0.198 29.640 29.460 -0.030 0.000 1.091 68 W HN 0.210 nan 8.180 nan 0.000 0.574 69 N N 2.716 121.504 118.700 0.146 0.000 2.807 69 N HA 0.148 7.646 4.740 4.596 0.000 0.259 69 N C -0.926 174.632 175.510 0.079 0.000 1.149 69 N CA 0.451 53.544 53.050 0.073 0.000 1.042 69 N CB -0.290 38.202 38.487 0.009 0.000 1.367 69 N HN -0.064 nan 8.380 nan 0.000 0.516 70 K N 0.704 121.194 120.400 0.149 0.000 2.557 70 K HA 0.225 7.303 4.320 4.596 0.000 0.261 70 K C -0.937 175.778 176.600 0.190 0.000 0.932 70 K CA -0.433 55.921 56.287 0.112 0.000 0.829 70 K CB 1.198 33.737 32.500 0.066 0.000 1.358 70 K HN 0.232 nan 8.250 nan 0.000 0.430 71 E N 1.999 122.246 120.200 0.078 0.000 2.989 71 E HA 0.057 7.164 4.350 4.596 0.000 0.207 71 E C -0.655 175.930 176.600 -0.025 0.000 0.989 71 E CA -0.035 56.430 56.400 0.107 0.000 1.186 71 E CB 0.689 30.457 29.700 0.112 0.000 1.141 71 E HN 0.450 nan 8.360 nan 0.000 0.454 72 D N -0.171 120.109 120.400 -0.200 0.000 2.348 72 D HA 0.053 7.450 4.640 4.596 0.000 0.211 72 D C -0.017 175.968 176.300 -0.525 0.000 0.998 72 D CA 0.279 54.039 54.000 -0.400 0.000 0.873 72 D CB 0.267 40.705 40.800 -0.603 0.000 0.925 72 D HN 0.088 nan 8.370 nan 0.000 0.524 73 F N 0.021 119.715 119.950 -0.426 0.000 2.370 73 F HA 0.258 7.542 4.527 4.595 0.000 0.319 73 F C -1.024 174.343 175.800 -0.721 0.000 1.129 73 F CA -2.158 55.355 58.000 -0.812 0.000 1.109 73 F CB 0.190 38.201 39.000 -1.648 0.000 1.262 73 F HN -0.225 nan 8.300 nan 0.000 0.534 74 P HA -0.155 nan 4.420 nan 0.000 0.221 74 P C 0.709 178.001 177.300 -0.013 0.000 1.145 74 P CA 1.393 64.395 63.100 -0.163 0.000 0.795 74 P CB -0.171 31.513 31.700 -0.027 0.000 0.775 75 W N -2.159 119.237 121.300 0.161 0.000 3.114 75 W HA 0.358 7.775 4.660 4.595 0.000 0.279 75 W C 1.567 178.167 176.519 0.135 0.000 1.277 75 W CA 0.102 57.520 57.345 0.122 0.000 1.630 75 W CB -1.666 27.848 29.460 0.091 0.000 1.087 75 W HN -0.288 nan 8.180 nan 0.000 0.637 76 S N 1.573 117.319 115.700 0.078 0.000 2.383 76 S HA -0.116 7.111 4.470 4.596 0.000 0.229 76 S C 2.168 176.878 174.600 0.184 0.000 1.030 76 S CA 1.903 60.213 58.200 0.184 0.000 1.002 76 S CB -1.043 62.212 63.200 0.092 0.000 0.829 76 S HN 0.570 nan 8.310 nan 0.000 0.467 77 G N 1.602 110.476 108.800 0.123 0.000 2.421 77 G HA2 -0.236 6.481 3.960 4.596 0.000 0.216 77 G HA3 -0.236 6.481 3.960 4.596 0.000 0.216 77 G C 1.303 176.285 174.900 0.137 0.000 1.171 77 G CA 0.965 46.130 45.100 0.108 0.000 0.775 77 G HN 0.468 nan 8.290 nan 0.000 0.543 78 K N 0.046 120.544 120.400 0.165 0.000 2.097 78 K HA -0.028 7.049 4.320 4.596 0.000 0.206 78 K C 2.553 179.275 176.600 0.203 0.000 1.049 78 K CA 1.126 57.517 56.287 0.174 0.000 0.933 78 K CB -0.202 32.414 32.500 0.193 0.000 0.717 78 K HN 0.213 nan 8.250 nan 0.000 0.442 79 V N 1.486 121.559 119.914 0.264 0.000 2.270 79 V HA -0.244 6.634 4.120 4.596 0.000 0.245 79 V C 2.803 179.056 176.094 0.265 0.000 1.043 79 V CA 2.509 64.987 62.300 0.297 0.000 1.014 79 V CB -0.680 31.378 31.823 0.391 0.000 0.645 79 V HN 0.530 nan 8.190 nan 0.000 0.447 80 K N -0.138 120.404 120.400 0.238 0.000 2.103 80 K HA -0.304 6.774 4.320 4.596 0.000 0.207 80 K C 1.768 178.424 176.600 0.095 0.000 1.048 80 K CA 2.247 58.626 56.287 0.153 0.000 0.930 80 K CB -1.000 31.582 32.500 0.137 0.000 0.716 80 K HN 0.676 nan 8.250 nan 0.000 0.444 81 D N -0.464 120.004 120.400 0.113 0.000 2.123 81 D HA 0.000 7.397 4.640 4.596 0.000 0.200 81 D C 1.758 178.119 176.300 0.101 0.000 0.976 81 D CA 0.869 54.923 54.000 0.090 0.000 0.831 81 D CB 0.008 40.860 40.800 0.088 0.000 0.974 81 D HN 0.468 nan 8.370 nan 0.000 0.469 82 I N 0.016 120.672 120.570 0.144 0.000 2.315 82 I HA -0.155 6.773 4.170 4.596 0.000 0.248 82 I C 2.158 178.437 176.117 0.269 0.000 1.117 82 I CA 0.288 61.706 61.300 0.196 0.000 1.404 82 I CB -0.140 38.005 38.000 0.241 0.000 1.071 82 I HN 0.152 nan 8.210 nan 0.000 0.419 83 L N 0.504 121.833 121.223 0.177 0.000 1.971 83 L HA -0.299 6.799 4.340 4.596 0.000 0.215 83 L C 2.482 179.392 176.870 0.068 0.000 1.072 83 L CA 2.042 56.917 54.840 0.059 0.000 0.758 83 L CB -0.607 41.309 42.059 -0.238 0.000 0.889 83 L HN 0.259 nan 8.230 nan 0.000 0.433 84 Q N -1.239 118.576 119.800 0.024 0.000 2.187 84 Q HA -0.055 7.042 4.340 4.596 0.000 0.199 84 Q C 1.479 177.497 176.000 0.030 0.000 0.957 84 Q CA 1.297 57.104 55.803 0.008 0.000 0.857 84 Q CB -0.005 28.729 28.738 -0.007 0.000 0.929 84 Q HN 0.625 nan 8.270 nan 0.000 0.453 85 N N -0.690 118.037 118.700 0.045 0.000 2.294 85 N HA 0.032 7.529 4.740 4.596 0.000 0.186 85 N C 1.451 176.964 175.510 0.005 0.000 1.107 85 N CA 0.410 53.474 53.050 0.025 0.000 0.884 85 N CB 1.021 39.524 38.487 0.025 0.000 1.030 85 N HN 0.004 nan 8.380 nan 0.000 0.482 86 V N -0.129 119.793 119.914 0.012 0.000 2.627 86 V HA 0.117 6.994 4.120 4.596 0.000 0.239 86 V C 1.357 177.324 176.094 -0.211 0.000 1.077 86 V CA 0.761 62.992 62.300 -0.116 0.000 1.103 86 V CB -0.321 31.402 31.823 -0.167 0.000 0.802 86 V HN -0.009 nan 8.190 nan 0.000 0.482 87 F N 0.376 120.320 119.950 -0.010 0.000 2.710 87 F HA 0.173 7.456 4.527 4.595 0.000 0.298 87 F C 1.241 177.021 175.800 -0.032 0.000 1.137 87 F CA 0.228 58.216 58.000 -0.020 0.000 1.444 87 F CB 0.072 39.056 39.000 -0.027 0.000 1.111 87 F HN -0.005 nan 8.300 nan 0.000 0.580 88 K N 0.654 121.110 120.400 0.093 0.000 3.069 88 K HA -0.192 6.885 4.320 4.596 0.000 0.267 88 K C -0.651 175.966 176.600 0.029 0.000 1.082 88 K CA 0.469 56.779 56.287 0.038 0.000 0.782 88 K CB -2.429 30.079 32.500 0.013 0.000 1.230 88 K HN 0.326 nan 8.250 nan 0.000 0.488 89 L N -0.370 120.869 121.223 0.027 0.000 2.330 89 L HA 0.302 7.399 4.340 4.596 0.000 0.271 89 L C 1.837 178.660 176.870 -0.079 0.000 1.013 89 L CA -0.544 54.277 54.840 -0.033 0.000 0.816 89 L CB 1.594 43.614 42.059 -0.066 0.000 1.287 89 L HN 0.090 nan 8.230 nan 0.000 0.435 90 E N 0.434 120.580 120.200 -0.091 0.000 2.206 90 E HA -0.006 7.101 4.350 4.596 0.000 0.195 90 E C -0.151 176.368 176.600 -0.136 0.000 0.935 90 E CA 0.288 56.636 56.400 -0.087 0.000 0.875 90 E CB 0.731 30.401 29.700 -0.049 0.000 0.841 90 E HN 0.429 nan 8.360 nan 0.000 0.477 91 K N -1.144 119.162 120.400 -0.155 0.000 2.466 91 K HA 0.414 7.491 4.320 4.596 0.000 0.260 91 K C -0.927 175.544 176.600 -0.216 0.000 1.011 91 K CA -0.788 55.401 56.287 -0.165 0.000 0.871 91 K CB 0.115 32.596 32.500 -0.033 0.000 1.404 91 K HN 0.074 nan 8.250 nan 0.000 0.450 92 F N 1.154 121.107 119.950 0.006 0.000 2.394 92 F HA 0.506 7.790 4.527 4.595 0.000 0.340 92 F C 1.431 177.230 175.800 -0.003 0.000 1.105 92 F CA -0.785 57.212 58.000 -0.004 0.000 1.124 92 F CB 1.475 40.477 39.000 0.004 0.000 1.145 92 F HN 0.344 nan 8.300 nan 0.000 0.505 93 R N 2.569 123.186 120.500 0.195 0.000 2.726 93 R HA 0.249 7.346 4.340 4.596 0.000 0.272 93 R C -2.368 173.990 176.300 0.097 0.000 1.097 93 R CA -1.553 54.613 56.100 0.111 0.000 1.198 93 R CB -0.175 30.171 30.300 0.077 0.000 1.114 93 R HN 0.279 nan 8.270 nan 0.000 0.550 94 P HA -0.059 nan 4.420 nan 0.000 0.265 94 P C 0.094 177.404 177.300 0.016 0.000 1.187 94 P CA 0.570 63.687 63.100 0.029 0.000 0.766 94 P CB 0.328 32.039 31.700 0.019 0.000 0.820 95 L N -0.239 120.967 121.223 -0.029 0.000 4.988 95 L HA -0.364 6.733 4.340 4.596 0.000 0.439 95 L C 1.834 178.675 176.870 -0.048 0.000 1.080 95 L CA 1.064 55.867 54.840 -0.062 0.000 1.018 95 L CB -1.383 40.667 42.059 -0.015 0.000 1.945 95 L HN 0.519 nan 8.230 nan 0.000 0.782 96 Q N -0.560 119.217 119.800 -0.037 0.000 2.123 96 Q HA -0.152 6.945 4.340 4.596 0.000 0.199 96 Q C 2.079 177.875 176.000 -0.340 0.000 0.966 96 Q CA 1.666 57.430 55.803 -0.066 0.000 0.845 96 Q CB 0.028 28.839 28.738 0.123 0.000 0.907 96 Q HN 0.553 nan 8.270 nan 0.000 0.439 97 L N 1.324 122.213 121.223 -0.556 0.000 2.027 97 L HA -0.152 6.945 4.340 4.596 0.000 0.206 97 L C 1.641 178.317 176.870 -0.325 0.000 1.074 97 L CA 1.919 56.281 54.840 -0.797 0.000 0.745 97 L CB -0.390 41.309 42.059 -0.599 0.000 0.898 97 L HN 0.038 nan 8.230 nan 0.000 0.433 98 E N -0.688 119.401 120.200 -0.184 0.000 2.085 98 E HA -0.184 6.923 4.350 4.596 0.000 0.194 98 E C 2.014 178.605 176.600 -0.016 0.000 0.994 98 E CA 2.076 58.426 56.400 -0.083 0.000 0.801 98 E CB -0.586 28.941 29.700 -0.288 0.000 0.743 98 E HN 0.511 nan 8.360 nan 0.000 0.453 99 T N 0.553 115.121 114.554 0.023 0.000 2.777 99 T HA -0.082 7.025 4.350 4.596 0.000 0.266 99 T C 1.950 176.575 174.700 -0.125 0.000 1.040 99 T CA 0.909 63.030 62.100 0.034 0.000 1.141 99 T CB -0.235 68.672 68.868 0.065 0.000 0.868 99 T HN 0.056 nan 8.240 nan 0.000 0.444 100 I N 1.655 122.128 120.570 -0.161 0.000 2.179 100 I HA -0.202 6.725 4.170 4.596 0.000 0.242 100 I C 2.404 178.367 176.117 -0.256 0.000 1.088 100 I CA 0.980 62.160 61.300 -0.200 0.000 1.357 100 I CB -0.326 37.548 38.000 -0.210 0.000 1.051 100 I HN 0.142 nan 8.210 nan 0.000 0.409 101 N N 0.336 118.930 118.700 -0.177 0.000 2.094 101 N HA -0.159 7.338 4.740 4.596 0.000 0.191 101 N C 1.897 177.227 175.510 -0.299 0.000 1.023 101 N CA 1.290 54.254 53.050 -0.144 0.000 0.857 101 N CB -0.617 37.861 38.487 -0.014 0.000 1.013 101 N HN 0.176 nan 8.380 nan 0.000 0.426 102 V N 0.899 120.520 119.914 -0.489 0.000 2.358 102 V HA -0.181 6.696 4.120 4.596 0.000 0.246 102 V C 2.106 177.945 176.094 -0.424 0.000 1.047 102 V CA 1.833 63.682 62.300 -0.751 0.000 1.035 102 V CB -0.822 30.413 31.823 -0.979 0.000 0.658 102 V HN 0.373 nan 8.190 nan 0.000 0.452 103 T N -0.482 113.863 114.554 -0.347 0.000 2.857 103 T HA -0.116 6.992 4.350 4.596 0.000 0.266 103 T C 1.959 176.443 174.700 -0.360 0.000 1.048 103 T CA 1.169 63.108 62.100 -0.269 0.000 1.139 103 T CB -0.247 68.509 68.868 -0.186 0.000 0.874 103 T HN 0.158 nan 8.240 nan 0.000 0.455 104 M N 1.475 120.734 119.600 -0.569 0.000 2.149 104 M HA 0.066 7.304 4.480 4.596 0.000 0.261 104 M C 2.602 178.330 176.300 -0.953 0.000 1.064 104 M CA 1.032 55.749 55.300 -0.971 0.000 1.102 104 M CB -1.386 30.082 32.600 -1.887 0.000 1.369 104 M HN 0.299 nan 8.290 nan 0.000 0.408 105 A N -0.595 121.862 122.820 -0.606 0.000 2.239 105 A HA 0.305 7.382 4.320 4.596 0.000 0.209 105 A C 1.641 179.199 177.584 -0.044 0.000 1.171 105 A CA 1.037 53.028 52.037 -0.075 0.000 0.768 105 A CB -1.010 18.161 19.000 0.285 0.000 0.790 105 A HN 0.687 nan 8.150 nan 0.000 0.478 106 G N -0.615 108.094 108.800 -0.151 0.000 2.147 106 G HA2 -0.259 6.458 3.960 4.596 0.000 0.244 106 G HA3 -0.259 6.458 3.960 4.596 0.000 0.244 106 G C 0.069 174.941 174.900 -0.048 0.000 1.005 106 G CA 0.618 45.661 45.100 -0.094 0.000 0.713 106 G HN 0.638 nan 8.290 nan 0.000 0.515 107 K N -0.319 120.051 120.400 -0.050 0.000 2.139 107 K HA 0.580 7.657 4.320 4.596 0.000 0.243 107 K C -0.232 176.340 176.600 -0.047 0.000 0.983 107 K CA -0.958 55.325 56.287 -0.006 0.000 0.890 107 K CB 1.210 33.783 32.500 0.121 0.000 1.090 107 K HN 0.079 nan 8.250 nan 0.000 0.445 108 E N 1.056 121.228 120.200 -0.046 0.000 2.313 108 E HA 0.245 7.352 4.350 4.596 0.000 0.276 108 E C -1.289 175.260 176.600 -0.085 0.000 1.031 108 E CA -0.214 56.139 56.400 -0.078 0.000 0.857 108 E CB 1.364 30.987 29.700 -0.128 0.000 1.040 108 E HN 0.247 nan 8.360 nan 0.000 0.408 109 V N 5.047 124.916 119.914 -0.075 0.000 2.777 109 V HA 0.420 7.297 4.120 4.596 0.000 0.306 109 V C -1.740 174.431 176.094 0.128 0.000 1.112 109 V CA -0.758 61.470 62.300 -0.120 0.000 0.917 109 V CB 1.087 32.727 31.823 -0.305 0.000 1.018 109 V HN 0.465 nan 8.190 nan 0.000 0.426 110 F N 6.412 126.278 119.950 -0.140 0.000 2.410 110 F HA 0.624 7.908 4.527 4.596 0.000 0.349 110 F C -0.036 175.737 175.800 -0.045 0.000 1.117 110 F CA -1.171 56.791 58.000 -0.062 0.000 1.104 110 F CB 1.633 40.615 39.000 -0.030 0.000 1.122 110 F HN 0.386 nan 8.300 nan 0.000 0.483 111 L N 5.450 126.769 121.223 0.160 0.000 2.280 111 L HA 0.579 7.677 4.340 4.596 0.000 0.287 111 L C -1.021 175.923 176.870 0.122 0.000 1.023 111 L CA -0.493 54.435 54.840 0.148 0.000 0.819 111 L CB 1.124 43.262 42.059 0.132 0.000 1.212 111 L HN 0.256 nan 8.230 nan 0.000 0.420 112 V N 6.855 126.854 119.914 0.141 0.000 2.333 112 V HA 0.595 7.472 4.120 4.596 0.000 0.274 112 V C 0.067 176.222 176.094 0.101 0.000 1.028 112 V CA -0.320 62.044 62.300 0.107 0.000 0.851 112 V CB 0.923 32.812 31.823 0.110 0.000 1.000 112 V HN 0.912 nan 8.190 nan 0.000 0.456 113 M N 7.140 126.792 119.600 0.086 0.000 2.365 113 M HA 0.558 7.796 4.480 4.596 0.000 0.287 113 M C -3.018 173.333 176.300 0.085 0.000 1.154 113 M CA -1.588 53.762 55.300 0.082 0.000 0.941 113 M CB 2.976 35.626 32.600 0.084 0.000 1.704 113 M HN 0.317 nan 8.290 nan 0.000 0.479 114 P HA 0.018 nan 4.420 nan 0.000 0.267 114 P C -0.788 176.580 177.300 0.114 0.000 1.195 114 P CA 0.338 63.524 63.100 0.144 0.000 0.773 114 P CB 0.302 32.128 31.700 0.210 0.000 0.837 115 T N 1.812 116.436 114.554 0.116 0.000 2.930 115 T HA 0.329 7.436 4.350 4.596 0.000 0.306 115 T C 1.438 176.169 174.700 0.052 0.000 1.045 115 T CA 1.252 63.398 62.100 0.076 0.000 1.134 115 T CB -0.197 68.710 68.868 0.065 0.000 0.961 115 T HN 0.820 nan 8.240 nan 0.000 0.545 116 G N 2.138 110.965 108.800 0.044 0.000 2.184 116 G HA2 -0.261 6.456 3.960 4.596 0.000 0.264 116 G HA3 -0.261 6.456 3.960 4.596 0.000 0.264 116 G C 1.118 176.039 174.900 0.035 0.000 0.975 116 G CA 0.394 45.514 45.100 0.033 0.000 0.642 116 G HN 1.106 nan 8.290 nan 0.000 0.536 117 G N -0.201 108.627 108.800 0.047 0.000 2.650 117 G HA2 0.496 7.214 3.960 4.596 0.000 0.214 117 G HA3 0.496 7.214 3.960 4.596 0.000 0.214 117 G C 1.424 176.348 174.900 0.041 0.000 1.136 117 G CA 1.518 46.646 45.100 0.047 0.000 0.789 117 G HN 2.058 nan 8.290 nan 0.000 0.536 118 G N 0.011 108.832 108.800 0.035 0.000 2.427 118 G HA2 -0.177 6.540 3.960 4.596 0.000 0.193 118 G HA3 -0.177 6.540 3.960 4.596 0.000 0.193 118 G C 0.752 175.658 174.900 0.010 0.000 1.086 118 G CA 0.352 45.463 45.100 0.017 0.000 0.818 118 G HN 0.447 nan 8.290 nan 0.000 0.490 119 K N 0.058 120.477 120.400 0.032 0.000 2.103 119 K HA 0.002 7.079 4.320 4.596 0.000 0.204 119 K C 2.588 179.167 176.600 -0.035 0.000 1.052 119 K CA 1.434 57.750 56.287 0.048 0.000 0.945 119 K CB -0.105 32.462 32.500 0.111 0.000 0.722 119 K HN 0.357 nan 8.250 nan 0.000 0.443 120 S N 1.720 117.360 115.700 -0.099 0.000 2.368 120 S HA -0.144 7.084 4.470 4.596 0.000 0.225 120 S C 1.823 176.045 174.600 -0.629 0.000 1.030 120 S CA 0.876 58.829 58.200 -0.412 0.000 0.999 120 S CB -0.269 62.840 63.200 -0.152 0.000 0.844 120 S HN 0.161 nan 8.310 nan 0.000 0.459 121 L N 1.777 122.806 121.223 -0.325 0.000 2.089 121 L HA -0.168 6.929 4.340 4.596 0.000 0.213 121 L C 2.027 178.705 176.870 -0.320 0.000 1.079 121 L CA 1.539 56.168 54.840 -0.352 0.000 0.758 121 L CB -0.910 41.001 42.059 -0.248 0.000 0.891 121 L HN 0.368 nan 8.230 nan 0.000 0.433 122 C N -0.925 118.239 119.300 -0.226 0.000 2.466 122 C HA -0.071 7.146 4.460 4.596 0.000 0.283 122 C C 2.018 176.983 174.990 -0.042 0.000 1.472 122 C CA 0.715 59.670 59.018 -0.104 0.000 1.765 122 C CB -1.846 25.884 27.740 -0.017 0.000 1.724 122 C HN 0.811 nan 8.230 nan 0.000 0.560 123 Y N -1.639 118.653 120.300 -0.014 0.000 2.452 123 Y HA 0.295 7.603 4.550 4.596 0.000 0.262 123 Y C 1.969 177.887 175.900 0.030 0.000 1.089 123 Y CA -0.116 57.979 58.100 -0.007 0.000 1.262 123 Y CB -0.981 37.478 38.460 -0.002 0.000 1.236 123 Y HN 0.107 nan 8.280 nan 0.000 0.512 124 Q N 1.073 120.729 119.800 -0.239 0.000 2.123 124 Q HA -0.034 7.063 4.340 4.596 0.000 0.199 124 Q C 2.093 178.183 176.000 0.151 0.000 0.966 124 Q CA 1.796 57.635 55.803 0.059 0.000 0.845 124 Q CB 0.088 28.880 28.738 0.090 0.000 0.907 124 Q HN 0.635 nan 8.270 nan 0.000 0.439 125 L N 0.647 121.831 121.223 -0.065 0.000 2.023 125 L HA -0.055 7.042 4.340 4.596 0.000 0.205 125 L C -0.918 176.000 176.870 0.080 0.000 1.073 125 L CA 1.171 56.004 54.840 -0.011 0.000 0.745 125 L CB -0.755 41.182 42.059 -0.203 0.000 0.900 125 L HN 0.062 nan 8.230 nan 0.000 0.435 126 P HA -0.258 nan 4.420 nan 0.000 0.216 126 P C 1.534 178.855 177.300 0.036 0.000 1.157 126 P CA 2.164 65.252 63.100 -0.019 0.000 0.880 126 P CB -0.207 31.453 31.700 -0.067 0.000 0.791 127 A N -1.116 121.759 122.820 0.093 0.000 1.940 127 A HA -0.238 6.839 4.320 4.596 0.000 0.221 127 A C 2.011 179.666 177.584 0.118 0.000 1.190 127 A CA 1.980 54.089 52.037 0.120 0.000 0.647 127 A CB -1.680 17.428 19.000 0.179 0.000 0.821 127 A HN 0.131 nan 8.150 nan 0.000 0.457 128 L N -1.369 119.943 121.223 0.147 0.000 2.313 128 L HA -0.021 7.076 4.340 4.596 0.000 0.214 128 L C 1.830 178.767 176.870 0.112 0.000 1.119 128 L CA 1.073 55.999 54.840 0.144 0.000 0.809 128 L CB -0.404 41.775 42.059 0.201 0.000 0.933 128 L HN 0.489 nan 8.230 nan 0.000 0.449 129 C N -0.930 118.425 119.300 0.092 0.000 2.625 129 C HA 0.339 7.557 4.460 4.596 0.000 0.285 129 C C 0.948 175.959 174.990 0.035 0.000 1.279 129 C CA -0.438 58.625 59.018 0.074 0.000 1.698 129 C CB -1.691 26.089 27.740 0.068 0.000 1.821 129 C HN 0.329 nan 8.230 nan 0.000 0.600 130 S N -0.247 115.469 115.700 0.027 0.000 2.632 130 S HA 0.404 7.632 4.470 4.596 0.000 0.289 130 S C -1.406 173.200 174.600 0.010 0.000 1.115 130 S CA -0.593 57.606 58.200 -0.001 0.000 0.889 130 S CB 1.225 64.403 63.200 -0.036 0.000 1.116 130 S HN 0.251 nan 8.310 nan 0.000 0.486 131 D N 1.104 121.497 120.400 -0.011 0.000 2.350 131 D HA 0.532 7.929 4.640 4.596 0.000 0.249 131 D C 0.977 177.255 176.300 -0.037 0.000 1.119 131 D CA 1.289 55.281 54.000 -0.014 0.000 0.886 131 D CB 1.043 41.827 40.800 -0.027 0.000 1.195 131 D HN 0.854 nan 8.370 nan 0.000 0.437 132 G N 1.434 110.229 108.800 -0.009 0.000 2.525 132 G HA2 -0.193 6.524 3.960 4.596 0.000 0.248 132 G HA3 -0.193 6.524 3.960 4.596 0.000 0.248 132 G C -0.325 174.613 174.900 0.063 0.000 1.238 132 G CA 0.103 45.194 45.100 -0.015 0.000 0.926 132 G HN 0.572 nan 8.290 nan 0.000 0.574 133 F N -1.622 118.347 119.950 0.031 0.000 2.579 133 F HA 0.853 8.137 4.527 4.595 0.000 0.324 133 F C 0.088 175.931 175.800 0.071 0.000 1.058 133 F CA -0.643 57.375 58.000 0.030 0.000 0.944 133 F CB 1.766 40.753 39.000 -0.021 0.000 1.245 133 F HN 0.516 nan 8.300 nan 0.000 0.477 134 T N 3.361 118.109 114.554 0.324 0.000 2.795 134 T HA 0.441 7.549 4.350 4.596 0.000 0.282 134 T C -0.909 173.956 174.700 0.276 0.000 0.980 134 T CA -0.386 61.854 62.100 0.233 0.000 1.012 134 T CB 1.181 70.133 68.868 0.140 0.000 0.936 134 T HN 0.657 nan 8.240 nan 0.000 0.457 135 L N 5.799 127.179 121.223 0.262 0.000 2.290 135 L HA 0.544 7.641 4.340 4.596 0.000 0.284 135 L C -0.854 175.964 176.870 -0.086 0.000 1.078 135 L CA -0.033 54.863 54.840 0.093 0.000 0.815 135 L CB 0.629 42.727 42.059 0.065 0.000 1.162 135 L HN 0.394 nan 8.230 nan 0.000 0.435 136 V N 6.715 126.478 119.914 -0.251 0.000 2.378 136 V HA 0.406 7.283 4.120 4.596 0.000 0.288 136 V C -0.213 175.748 176.094 -0.222 0.000 1.016 136 V CA -0.572 61.489 62.300 -0.398 0.000 0.840 136 V CB 1.360 32.673 31.823 -0.851 0.000 0.994 136 V HN 0.524 nan 8.190 nan 0.000 0.431 137 I N 4.606 125.075 120.570 -0.168 0.000 2.315 137 I HA 0.511 7.439 4.170 4.596 0.000 0.291 137 I C -0.043 176.054 176.117 -0.033 0.000 1.006 137 I CA 0.197 61.423 61.300 -0.123 0.000 1.265 137 I CB 1.283 39.161 38.000 -0.204 0.000 1.387 137 I HN 0.711 nan 8.210 nan 0.000 0.475 138 C N 9.183 128.506 119.300 0.039 0.000 2.701 138 C HA 0.561 7.778 4.460 4.596 0.000 0.336 138 C C -1.608 173.459 174.990 0.129 0.000 1.123 138 C CA -1.154 57.941 59.018 0.129 0.000 1.326 138 C CB 1.916 29.773 27.740 0.196 0.000 1.833 138 C HN 0.701 nan 8.230 nan 0.000 0.473 139 P HA 0.076 nan 4.420 nan 0.000 0.219 139 P C -0.122 177.217 177.300 0.066 0.000 1.154 139 P CA 1.007 64.189 63.100 0.137 0.000 0.826 139 P CB 0.305 32.049 31.700 0.074 0.000 0.795 140 L N -0.603 120.653 121.223 0.055 0.000 2.317 140 L HA 0.264 7.362 4.340 4.596 0.000 0.281 140 L C 1.955 178.842 176.870 0.028 0.000 1.024 140 L CA -0.872 53.988 54.840 0.034 0.000 0.810 140 L CB 1.763 43.840 42.059 0.030 0.000 1.240 140 L HN -0.320 nan 8.230 nan 0.000 0.427 141 I N -0.110 120.467 120.570 0.013 0.000 2.454 141 I HA -0.222 6.705 4.170 4.596 0.000 0.254 141 I C 2.474 178.584 176.117 -0.011 0.000 1.156 141 I CA 1.634 62.933 61.300 -0.001 0.000 1.433 141 I CB -1.130 36.865 38.000 -0.008 0.000 1.082 141 I HN 0.975 nan 8.210 nan 0.000 0.432 142 S N 0.572 116.270 115.700 -0.003 0.000 2.371 142 S HA -0.104 7.124 4.470 4.596 0.000 0.224 142 S C 2.042 176.638 174.600 -0.008 0.000 1.029 142 S CA 1.011 59.207 58.200 -0.006 0.000 0.978 142 S CB -0.773 62.431 63.200 0.006 0.000 0.833 142 S HN 0.575 nan 8.310 nan 0.000 0.466 143 L N 0.484 121.714 121.223 0.011 0.000 2.042 143 L HA -0.091 7.006 4.340 4.596 0.000 0.210 143 L C 2.937 179.806 176.870 -0.002 0.000 1.076 143 L CA 1.620 56.475 54.840 0.026 0.000 0.749 143 L CB -0.587 41.509 42.059 0.062 0.000 0.893 143 L HN 0.369 nan 8.230 nan 0.000 0.432 144 M N -0.867 118.719 119.600 -0.024 0.000 2.099 144 M HA -0.211 7.026 4.480 4.596 0.000 0.262 144 M C 2.120 178.284 176.300 -0.227 0.000 1.067 144 M CA 1.729 56.940 55.300 -0.149 0.000 1.124 144 M CB -0.442 32.115 32.600 -0.072 0.000 1.353 144 M HN 0.185 nan 8.290 nan 0.000 0.410 145 E N 0.475 120.600 120.200 -0.125 0.000 2.110 145 E HA -0.202 6.905 4.350 4.596 0.000 0.193 145 E C 1.567 178.106 176.600 -0.102 0.000 0.988 145 E CA 1.115 57.448 56.400 -0.112 0.000 0.804 145 E CB -0.102 29.556 29.700 -0.070 0.000 0.745 145 E HN 0.395 nan 8.360 nan 0.000 0.458 146 D N 0.594 120.948 120.400 -0.076 0.000 2.126 146 D HA -0.201 7.197 4.640 4.596 0.000 0.190 146 D C 2.062 178.323 176.300 -0.066 0.000 1.001 146 D CA 1.161 55.128 54.000 -0.056 0.000 0.841 146 D CB -0.159 40.627 40.800 -0.024 0.000 0.949 146 D HN 0.152 nan 8.370 nan 0.000 0.446 147 Q N -0.248 119.491 119.800 -0.102 0.000 2.046 147 Q HA -0.050 7.047 4.340 4.596 0.000 0.200 147 Q C 2.691 178.618 176.000 -0.121 0.000 0.975 147 Q CA 0.614 56.358 55.803 -0.097 0.000 0.836 147 Q CB -0.309 28.323 28.738 -0.177 0.000 0.896 147 Q HN 0.388 nan 8.270 nan 0.000 0.428 148 L N -0.170 120.925 121.223 -0.214 0.000 2.141 148 L HA -0.168 6.929 4.340 4.596 0.000 0.209 148 L C 2.840 179.667 176.870 -0.073 0.000 1.094 148 L CA 0.956 55.708 54.840 -0.146 0.000 0.763 148 L CB -0.560 41.397 42.059 -0.170 0.000 0.908 148 L HN 0.196 nan 8.230 nan 0.000 0.437 149 M N -0.418 119.138 119.600 -0.074 0.000 2.065 149 M HA -0.142 7.096 4.480 4.596 0.000 0.259 149 M C 2.294 178.570 176.300 -0.039 0.000 1.069 149 M CA 1.965 57.231 55.300 -0.055 0.000 1.110 149 M CB -0.804 31.762 32.600 -0.058 0.000 1.328 149 M HN 0.183 nan 8.290 nan 0.000 0.405 150 V N 0.434 120.332 119.914 -0.027 0.000 2.407 150 V HA -0.242 6.635 4.120 4.596 0.000 0.248 150 V C 2.444 178.535 176.094 -0.005 0.000 1.055 150 V CA 2.348 64.644 62.300 -0.006 0.000 1.049 150 V CB -0.846 30.990 31.823 0.022 0.000 0.662 150 V HN 0.661 nan 8.190 nan 0.000 0.455 151 L N -0.085 121.141 121.223 0.005 0.000 2.072 151 L HA -0.126 6.972 4.340 4.596 0.000 0.205 151 L C 2.746 179.601 176.870 -0.024 0.000 1.079 151 L CA 1.647 56.488 54.840 0.002 0.000 0.752 151 L CB -0.842 41.256 42.059 0.065 0.000 0.906 151 L HN 0.277 nan 8.230 nan 0.000 0.436 152 K N 0.326 120.716 120.400 -0.018 0.000 2.044 152 K HA -0.285 6.792 4.320 4.596 0.000 0.210 152 K C 2.399 178.976 176.600 -0.038 0.000 1.049 152 K CA 2.069 58.341 56.287 -0.025 0.000 0.927 152 K CB -0.861 31.621 32.500 -0.030 0.000 0.713 152 K HN 0.530 nan 8.250 nan 0.000 0.443 153 Q N 0.349 120.124 119.800 -0.040 0.000 2.170 153 Q HA 0.112 7.209 4.340 4.596 0.000 0.203 153 Q C 2.367 178.333 176.000 -0.058 0.000 0.976 153 Q CA 1.960 57.737 55.803 -0.044 0.000 0.858 153 Q CB -0.742 27.974 28.738 -0.038 0.000 0.907 153 Q HN 0.691 nan 8.270 nan 0.000 0.433 154 L N -1.050 120.125 121.223 -0.080 0.000 2.554 154 L HA 0.259 7.356 4.340 4.596 0.000 0.226 154 L C 1.744 178.538 176.870 -0.127 0.000 1.137 154 L CA 0.491 55.251 54.840 -0.132 0.000 0.863 154 L CB 0.087 42.003 42.059 -0.238 0.000 0.985 154 L HN 0.649 nan 8.230 nan 0.000 0.451 155 G N 0.813 109.564 108.800 -0.081 0.000 2.143 155 G HA2 -0.279 6.438 3.960 4.596 0.000 0.249 155 G HA3 -0.279 6.438 3.960 4.596 0.000 0.249 155 G C 0.178 175.049 174.900 -0.048 0.000 0.981 155 G CA -0.223 44.843 45.100 -0.057 0.000 0.665 155 G HN 0.286 nan 8.290 nan 0.000 0.528 156 I N 1.747 122.283 120.570 -0.057 0.000 2.395 156 I HA 0.296 7.224 4.170 4.596 0.000 0.289 156 I C 0.671 176.812 176.117 0.041 0.000 1.023 156 I CA -0.320 60.967 61.300 -0.021 0.000 1.350 156 I CB 1.528 39.502 38.000 -0.044 0.000 1.409 156 I HN 0.053 nan 8.210 nan 0.000 0.507 157 S N 5.860 121.605 115.700 0.074 0.000 2.414 157 S HA 0.565 7.792 4.470 4.596 0.000 0.290 157 S C 0.029 174.723 174.600 0.156 0.000 1.160 157 S CA -0.539 57.734 58.200 0.122 0.000 1.069 157 S CB 0.381 63.664 63.200 0.139 0.000 1.012 157 S HN 0.701 nan 8.310 nan 0.000 0.510 158 A N 3.151 126.076 122.820 0.175 0.000 2.515 158 A HA 0.918 7.995 4.320 4.596 0.000 0.296 158 A C -0.191 177.534 177.584 0.236 0.000 1.094 158 A CA -0.705 51.467 52.037 0.225 0.000 0.718 158 A CB 2.165 21.328 19.000 0.271 0.000 1.307 158 A HN 0.575 nan 8.150 nan 0.000 0.408 159 T N -0.079 114.638 114.554 0.271 0.000 2.762 159 T HA 0.714 7.821 4.350 4.596 0.000 0.301 159 T C -1.204 173.661 174.700 0.276 0.000 1.299 159 T CA -0.131 62.140 62.100 0.285 0.000 1.005 159 T CB 1.175 70.295 68.868 0.420 0.000 1.377 159 T HN 1.359 nan 8.240 nan 0.000 0.504 160 M N 1.632 121.386 119.600 0.257 0.000 2.619 160 M HA 0.753 7.990 4.480 4.596 0.000 0.297 160 M C -1.937 174.475 176.300 0.187 0.000 1.229 160 M CA -0.935 54.481 55.300 0.194 0.000 0.860 160 M CB 2.014 34.680 32.600 0.110 0.000 1.741 160 M HN 0.360 nan 8.290 nan 0.000 0.462 161 L N 1.664 122.909 121.223 0.037 0.000 2.342 161 L HA 0.685 7.782 4.340 4.596 0.000 0.271 161 L C -0.719 176.112 176.870 -0.065 0.000 1.008 161 L CA -0.707 54.112 54.840 -0.036 0.000 0.818 161 L CB 2.182 44.123 42.059 -0.196 0.000 1.296 161 L HN 0.848 nan 8.230 nan 0.000 0.427 162 N N -0.490 118.185 118.700 -0.042 0.000 2.853 162 N HA 0.489 7.986 4.740 4.596 0.000 0.258 162 N C 0.191 175.680 175.510 -0.036 0.000 1.444 162 N CA 0.097 53.128 53.050 -0.032 0.000 0.837 162 N CB 2.027 40.514 38.487 -0.001 0.000 1.489 162 N HN 0.594 nan 8.380 nan 0.000 0.529 163 A N 0.160 122.963 122.820 -0.028 0.000 1.841 163 A HA -0.066 7.011 4.320 4.596 0.000 0.214 163 A C 1.229 178.807 177.584 -0.010 0.000 1.195 163 A CA 2.089 54.113 52.037 -0.021 0.000 0.611 163 A CB -0.951 18.038 19.000 -0.018 0.000 0.835 163 A HN 0.655 nan 8.150 nan 0.000 0.443 164 S N -0.083 115.612 115.700 -0.008 0.000 2.859 164 S HA 0.289 7.517 4.470 4.596 0.000 0.245 164 S C 0.418 175.020 174.600 0.004 0.000 1.008 164 S CA 0.191 58.388 58.200 -0.004 0.000 1.089 164 S CB -0.515 62.679 63.200 -0.010 0.000 0.798 164 S HN 0.281 nan 8.310 nan 0.000 0.477 165 S N 1.803 117.514 115.700 0.018 0.000 2.562 165 S HA 0.453 7.680 4.470 4.596 0.000 0.275 165 S C 0.288 174.923 174.600 0.058 0.000 1.281 165 S CA -0.486 57.749 58.200 0.058 0.000 1.045 165 S CB 1.103 64.352 63.200 0.083 0.000 0.962 165 S HN 0.580 nan 8.310 nan 0.000 0.503 166 S N 2.886 118.639 115.700 0.088 0.000 2.564 166 S HA 0.362 7.589 4.470 4.596 0.000 0.278 166 S C 1.559 176.200 174.600 0.068 0.000 1.333 166 S CA 0.122 58.364 58.200 0.069 0.000 1.048 166 S CB 0.757 63.997 63.200 0.067 0.000 0.900 166 S HN 0.859 nan 8.310 nan 0.000 0.505 167 K N 3.440 123.864 120.400 0.040 0.000 2.103 167 K HA -0.146 6.931 4.320 4.596 0.000 0.207 167 K C 1.693 178.317 176.600 0.039 0.000 1.048 167 K CA 2.345 58.650 56.287 0.030 0.000 0.930 167 K CB -1.240 31.277 32.500 0.027 0.000 0.716 167 K HN 0.915 nan 8.250 nan 0.000 0.444 168 E N -1.103 119.131 120.200 0.058 0.000 2.106 168 E HA -0.159 6.949 4.350 4.596 0.000 0.192 168 E C 2.228 178.907 176.600 0.133 0.000 0.984 168 E CA 1.188 57.633 56.400 0.075 0.000 0.806 168 E CB -0.182 29.550 29.700 0.053 0.000 0.750 168 E HN 0.826 nan 8.360 nan 0.000 0.458 169 H N 0.643 119.737 119.070 0.040 0.000 2.343 169 H HA -0.023 7.291 4.556 4.596 0.000 0.303 169 H C 1.967 177.347 175.328 0.087 0.000 1.068 169 H CA 1.236 57.342 56.048 0.096 0.000 1.359 169 H CB -0.170 29.619 29.762 0.044 0.000 1.402 169 H HN -0.079 nan 8.280 nan 0.000 0.515 170 V N 0.974 120.800 119.914 -0.148 0.000 2.332 170 V HA -0.269 6.608 4.120 4.596 0.000 0.248 170 V C 2.797 178.614 176.094 -0.462 0.000 1.055 170 V CA 2.686 64.762 62.300 -0.374 0.000 1.038 170 V CB -1.360 30.311 31.823 -0.252 0.000 0.651 170 V HN 0.737 nan 8.190 nan 0.000 0.450 171 K N -0.613 119.686 120.400 -0.168 0.000 2.032 171 K HA -0.313 6.764 4.320 4.596 0.000 0.209 171 K C 1.821 178.412 176.600 -0.015 0.000 1.048 171 K CA 2.090 58.347 56.287 -0.050 0.000 0.927 171 K CB -1.527 31.000 32.500 0.045 0.000 0.712 171 K HN 0.744 nan 8.250 nan 0.000 0.441 172 W N 0.861 122.074 121.300 -0.145 0.000 2.358 172 W HA -0.136 7.281 4.660 4.595 0.000 0.303 172 W C 1.818 178.248 176.519 -0.148 0.000 1.208 172 W CA 1.611 58.893 57.345 -0.105 0.000 1.274 172 W CB -0.193 29.235 29.460 -0.053 0.000 1.138 172 W HN 0.046 nan 8.180 nan 0.000 0.515 173 V N 0.630 120.266 119.914 -0.463 0.000 2.255 173 V HA -0.378 6.499 4.120 4.596 0.000 0.247 173 V C 2.256 178.090 176.094 -0.433 0.000 1.051 173 V CA 2.539 64.443 62.300 -0.660 0.000 1.018 173 V CB -1.403 30.126 31.823 -0.490 0.000 0.641 173 V HN 0.290 nan 8.190 nan 0.000 0.445 174 H N -0.079 118.830 119.070 -0.268 0.000 2.353 174 H HA -0.179 7.135 4.556 4.596 0.000 0.298 174 H C 2.325 177.525 175.328 -0.214 0.000 1.103 174 H CA 1.190 57.120 56.048 -0.198 0.000 1.293 174 H CB -0.135 29.566 29.762 -0.102 0.000 1.372 174 H HN 0.486 nan 8.280 nan 0.000 0.501 175 A N 1.193 123.950 122.820 -0.104 0.000 1.902 175 A HA -0.188 6.889 4.320 4.596 0.000 0.217 175 A C 2.180 179.645 177.584 -0.199 0.000 1.181 175 A CA 1.546 53.508 52.037 -0.125 0.000 0.623 175 A CB -0.162 18.778 19.000 -0.099 0.000 0.818 175 A HN 0.326 nan 8.150 nan 0.000 0.443 176 E N -0.301 119.661 120.200 -0.397 0.000 2.110 176 E HA -0.178 6.929 4.350 4.596 0.000 0.193 176 E C 2.041 178.521 176.600 -0.200 0.000 0.988 176 E CA 1.315 57.484 56.400 -0.385 0.000 0.804 176 E CB -0.417 28.851 29.700 -0.720 0.000 0.745 176 E HN 0.744 nan 8.360 nan 0.000 0.458 177 M N 0.214 119.692 119.600 -0.204 0.000 2.159 177 M HA -0.142 7.095 4.480 4.596 0.000 0.263 177 M C 2.340 178.688 176.300 0.080 0.000 1.063 177 M CA 1.340 56.623 55.300 -0.029 0.000 1.110 177 M CB -0.138 32.369 32.600 -0.155 0.000 1.374 177 M HN 0.060 nan 8.290 nan 0.000 0.411 178 V N -3.504 116.404 119.914 -0.011 0.000 3.565 178 V HA 0.168 7.046 4.120 4.596 0.000 0.260 178 V C 0.856 176.945 176.094 -0.008 0.000 1.231 178 V CA -0.200 62.097 62.300 -0.004 0.000 1.100 178 V CB -0.680 31.129 31.823 -0.023 0.000 0.807 178 V HN 0.356 nan 8.190 nan 0.000 0.454 179 N N 2.252 120.938 118.700 -0.022 0.000 2.414 179 N HA 0.060 7.557 4.740 4.596 0.000 0.268 179 N C 1.189 176.701 175.510 0.003 0.000 1.286 179 N CA 1.027 54.068 53.050 -0.014 0.000 0.896 179 N CB 1.712 40.181 38.487 -0.031 0.000 1.093 179 N HN 0.605 nan 8.380 nan 0.000 0.480 180 K N 3.395 123.798 120.400 0.005 0.000 2.365 180 K HA -0.064 7.013 4.320 4.596 0.000 0.199 180 K C 1.066 177.675 176.600 0.016 0.000 1.045 180 K CA 1.099 57.391 56.287 0.008 0.000 0.962 180 K CB -0.322 32.180 32.500 0.002 0.000 0.759 180 K HN 0.685 nan 8.250 nan 0.000 0.469 181 N N 0.193 118.905 118.700 0.020 0.000 2.280 181 N HA 0.027 7.525 4.740 4.596 0.000 0.192 181 N C 0.220 175.752 175.510 0.038 0.000 1.109 181 N CA 0.155 53.221 53.050 0.028 0.000 0.855 181 N CB 0.611 39.116 38.487 0.029 0.000 0.974 181 N HN 0.368 nan 8.380 nan 0.000 0.482 182 S N 0.800 116.522 115.700 0.036 0.000 2.549 182 S HA 0.033 7.260 4.470 4.596 0.000 0.286 182 S C 0.925 175.563 174.600 0.064 0.000 1.314 182 S CA 0.064 58.291 58.200 0.045 0.000 1.062 182 S CB 0.812 64.025 63.200 0.023 0.000 0.865 182 S HN 0.192 nan 8.310 nan 0.000 0.498 183 E N 2.359 122.606 120.200 0.078 0.000 2.498 183 E HA 0.149 7.256 4.350 4.596 0.000 0.203 183 E C -0.381 176.282 176.600 0.105 0.000 1.013 183 E CA -0.341 56.111 56.400 0.086 0.000 0.927 183 E CB 0.308 30.057 29.700 0.081 0.000 1.012 183 E HN 0.520 nan 8.360 nan 0.000 0.482 184 L N 2.003 123.289 121.223 0.105 0.000 2.597 184 L HA -0.026 7.072 4.340 4.596 0.000 0.271 184 L C 0.613 177.563 176.870 0.134 0.000 1.157 184 L CA 0.751 55.655 54.840 0.106 0.000 0.928 184 L CB 0.342 42.405 42.059 0.008 0.000 1.216 184 L HN -0.175 nan 8.230 nan 0.000 0.481 185 K N 4.984 125.477 120.400 0.155 0.000 2.360 185 K HA 0.333 7.411 4.320 4.596 0.000 0.196 185 K C -0.545 176.185 176.600 0.216 0.000 1.049 185 K CA 0.178 56.578 56.287 0.188 0.000 1.049 185 K CB 0.550 33.143 32.500 0.155 0.000 0.881 185 K HN 0.479 nan 8.250 nan 0.000 0.542 186 L N 1.324 122.660 121.223 0.188 0.000 2.464 186 L HA 0.488 7.585 4.340 4.596 0.000 0.266 186 L C -0.944 175.983 176.870 0.095 0.000 0.965 186 L CA -0.455 54.478 54.840 0.155 0.000 0.833 186 L CB 2.381 44.577 42.059 0.227 0.000 1.296 186 L HN -0.151 nan 8.230 nan 0.000 0.405 187 I N 2.663 123.207 120.570 -0.043 0.000 2.418 187 I HA 0.348 7.275 4.170 4.596 0.000 0.287 187 I C -1.178 174.887 176.117 -0.086 0.000 1.008 187 I CA -0.660 60.599 61.300 -0.068 0.000 1.104 187 I CB 1.499 39.309 38.000 -0.316 0.000 1.264 187 I HN 0.401 nan 8.210 nan 0.000 0.438 188 Y N 5.733 126.029 120.300 -0.006 0.000 2.320 188 Y HA 0.570 7.877 4.550 4.596 0.000 0.334 188 Y C 0.311 176.168 175.900 -0.071 0.000 1.055 188 Y CA -0.673 57.419 58.100 -0.013 0.000 1.143 188 Y CB 1.718 40.192 38.460 0.023 0.000 1.193 188 Y HN 0.348 nan 8.280 nan 0.000 0.477 189 V N -0.770 119.150 119.914 0.009 0.000 3.159 189 V HA 0.785 7.663 4.120 4.596 0.000 0.308 189 V C -0.252 175.793 176.094 -0.082 0.000 1.190 189 V CA -1.023 61.209 62.300 -0.114 0.000 1.037 189 V CB 1.544 33.169 31.823 -0.331 0.000 1.060 189 V HN 0.750 nan 8.190 nan 0.000 0.437 190 T N -0.966 113.524 114.554 -0.106 0.000 2.899 190 T HA 0.573 7.680 4.350 4.596 0.000 0.284 190 T C -1.794 172.828 174.700 -0.130 0.000 1.004 190 T CA -1.492 60.562 62.100 -0.077 0.000 1.043 190 T CB 1.277 70.114 68.868 -0.052 0.000 1.013 190 T HN 0.625 nan 8.240 nan 0.000 0.518 191 P HA 0.029 nan 4.420 nan 0.000 0.225 191 P C 1.451 178.677 177.300 -0.123 0.000 1.148 191 P CA 0.446 63.424 63.100 -0.203 0.000 0.779 191 P CB -0.059 31.465 31.700 -0.294 0.000 0.780 192 E N -0.137 120.010 120.200 -0.089 0.000 2.110 192 E HA -0.171 6.936 4.350 4.596 0.000 0.193 192 E C 1.977 178.530 176.600 -0.079 0.000 0.988 192 E CA 0.922 57.281 56.400 -0.068 0.000 0.804 192 E CB -0.915 28.753 29.700 -0.053 0.000 0.745 192 E HN 0.358 nan 8.360 nan 0.000 0.458 193 K N -0.104 120.216 120.400 -0.133 0.000 2.147 193 K HA -0.021 7.056 4.320 4.596 0.000 0.205 193 K C 2.043 178.598 176.600 -0.076 0.000 1.049 193 K CA 0.811 56.981 56.287 -0.194 0.000 0.936 193 K CB -0.304 31.920 32.500 -0.460 0.000 0.722 193 K HN 0.272 nan 8.250 nan 0.000 0.446 194 I N 0.473 121.021 120.570 -0.036 0.000 2.286 194 I HA -0.160 6.768 4.170 4.596 0.000 0.245 194 I C 2.277 178.422 176.117 0.047 0.000 1.104 194 I CA 1.067 62.406 61.300 0.066 0.000 1.397 194 I CB -1.335 36.684 38.000 0.033 0.000 1.072 194 I HN -0.029 nan 8.210 nan 0.000 0.417 195 A N 0.468 123.289 122.820 0.002 0.000 1.943 195 A HA -0.025 7.053 4.320 4.596 0.000 0.213 195 A C 1.726 179.316 177.584 0.009 0.000 1.181 195 A CA 0.687 52.726 52.037 0.002 0.000 0.653 195 A CB -0.073 18.919 19.000 -0.013 0.000 0.833 195 A HN 0.348 nan 8.150 nan 0.000 0.451 196 K N -0.200 120.203 120.400 0.004 0.000 2.896 196 K HA 0.279 7.356 4.320 4.596 0.000 0.210 196 K C -0.545 176.066 176.600 0.020 0.000 1.116 196 K CA 0.079 56.371 56.287 0.008 0.000 1.050 196 K CB 0.605 33.102 32.500 -0.004 0.000 0.812 196 K HN 0.160 nan 8.250 nan 0.000 0.462 197 S N 0.604 116.332 115.700 0.047 0.000 2.775 197 S HA 0.334 7.562 4.470 4.596 0.000 0.277 197 S C 0.697 175.357 174.600 0.100 0.000 1.156 197 S CA -0.332 57.916 58.200 0.081 0.000 1.081 197 S CB 0.989 64.256 63.200 0.111 0.000 1.054 197 S HN 0.352 nan 8.310 nan 0.000 0.482 198 K N 3.593 124.030 120.400 0.060 0.000 2.057 198 K HA -0.032 7.045 4.320 4.596 0.000 0.206 198 K C 1.845 178.459 176.600 0.023 0.000 1.050 198 K CA 1.957 58.266 56.287 0.037 0.000 0.935 198 K CB -0.852 31.660 32.500 0.019 0.000 0.715 198 K HN 0.670 nan 8.250 nan 0.000 0.439 199 M N -0.180 119.433 119.600 0.023 0.000 2.080 199 M HA 0.054 7.291 4.480 4.596 0.000 0.260 199 M C 1.949 178.182 176.300 -0.111 0.000 1.068 199 M CA 1.614 56.885 55.300 -0.049 0.000 1.109 199 M CB -0.577 32.018 32.600 -0.010 0.000 1.342 199 M HN 0.458 nan 8.290 nan 0.000 0.405 200 F N -0.278 119.606 119.950 -0.109 0.000 2.186 200 F HA -0.150 7.135 4.527 4.596 0.000 0.299 200 F C 1.841 177.600 175.800 -0.067 0.000 1.090 200 F CA 1.368 59.313 58.000 -0.092 0.000 1.307 200 F CB -0.210 38.792 39.000 0.003 0.000 1.019 200 F HN 0.095 nan 8.300 nan 0.000 0.489 201 M N 0.137 119.762 119.600 0.041 0.000 2.213 201 M HA -0.145 7.093 4.480 4.596 0.000 0.263 201 M C 2.513 178.796 176.300 -0.028 0.000 1.062 201 M CA 1.697 57.010 55.300 0.023 0.000 1.105 201 M CB -1.557 31.099 32.600 0.093 0.000 1.385 201 M HN 0.350 nan 8.290 nan 0.000 0.417 202 S N -0.144 115.514 115.700 -0.071 0.000 2.387 202 S HA -0.049 7.178 4.470 4.596 0.000 0.226 202 S C 1.979 176.511 174.600 -0.113 0.000 1.026 202 S CA 0.474 58.637 58.200 -0.063 0.000 0.972 202 S CB -0.278 62.881 63.200 -0.068 0.000 0.814 202 S HN 0.315 nan 8.310 nan 0.000 0.477 203 R N 1.459 121.812 120.500 -0.245 0.000 2.081 203 R HA 0.172 7.269 4.340 4.596 0.000 0.235 203 R C 2.334 178.465 176.300 -0.282 0.000 1.131 203 R CA 0.987 56.910 56.100 -0.294 0.000 0.960 203 R CB -1.475 28.559 30.300 -0.444 0.000 0.856 203 R HN 0.453 nan 8.270 nan 0.000 0.436 204 L N 0.661 121.629 121.223 -0.425 0.000 2.079 204 L HA -0.204 6.893 4.340 4.596 0.000 0.210 204 L C 2.592 179.443 176.870 -0.033 0.000 1.081 204 L CA 1.532 56.142 54.840 -0.385 0.000 0.752 204 L CB -0.354 41.400 42.059 -0.508 0.000 0.896 204 L HN 0.293 nan 8.230 nan 0.000 0.433 205 E N 0.261 120.550 120.200 0.149 0.000 2.047 205 E HA -0.234 6.874 4.350 4.596 0.000 0.191 205 E C 2.164 178.893 176.600 0.216 0.000 0.987 205 E CA 1.149 57.742 56.400 0.321 0.000 0.799 205 E CB 0.146 29.973 29.700 0.211 0.000 0.752 205 E HN 0.355 nan 8.360 nan 0.000 0.449 206 K N 0.216 120.669 120.400 0.087 0.000 2.009 206 K HA -0.153 6.924 4.320 4.596 0.000 0.210 206 K C 2.248 178.882 176.600 0.057 0.000 1.049 206 K CA 1.210 57.527 56.287 0.051 0.000 0.929 206 K CB -0.247 32.250 32.500 -0.005 0.000 0.714 206 K HN 0.154 nan 8.250 nan 0.000 0.440 207 A N 0.855 123.704 122.820 0.048 0.000 1.908 207 A HA -0.230 6.847 4.320 4.596 0.000 0.218 207 A C 2.095 179.726 177.584 0.077 0.000 1.181 207 A CA 1.541 53.610 52.037 0.053 0.000 0.627 207 A CB -0.843 18.205 19.000 0.081 0.000 0.818 207 A HN 0.476 nan 8.150 nan 0.000 0.445 208 Y N 0.598 120.921 120.300 0.040 0.000 2.224 208 Y HA -0.160 7.148 4.550 4.595 0.000 0.289 208 Y C 2.189 178.082 175.900 -0.011 0.000 1.146 208 Y CA 2.162 60.261 58.100 -0.002 0.000 1.182 208 Y CB -0.170 38.324 38.460 0.056 0.000 0.983 208 Y HN 0.473 nan 8.280 nan 0.000 0.524 209 E N -0.286 119.952 120.200 0.063 0.000 2.152 209 E HA -0.071 7.036 4.350 4.596 0.000 0.192 209 E C 1.900 178.450 176.600 -0.085 0.000 0.983 209 E CA 0.683 57.066 56.400 -0.027 0.000 0.818 209 E CB -0.180 29.560 29.700 0.067 0.000 0.758 209 E HN 0.489 nan 8.360 nan 0.000 0.467 210 A N 0.603 123.389 122.820 -0.057 0.000 2.259 210 A HA 0.034 7.111 4.320 4.596 0.000 0.208 210 A C 0.651 178.175 177.584 -0.099 0.000 1.201 210 A CA 0.061 52.061 52.037 -0.062 0.000 0.824 210 A CB -0.320 18.662 19.000 -0.030 0.000 0.838 210 A HN 0.200 nan 8.150 nan 0.000 0.485 211 R N -1.879 118.519 120.500 -0.169 0.000 3.875 211 R HA -0.185 6.913 4.340 4.596 0.000 0.321 211 R C 0.741 176.938 176.300 -0.171 0.000 1.196 211 R CA 0.988 56.966 56.100 -0.204 0.000 0.868 211 R CB -1.143 29.060 30.300 -0.161 0.000 1.333 211 R HN 0.533 nan 8.270 nan 0.000 0.522 212 R N -0.087 120.319 120.500 -0.157 0.000 2.280 212 R HA 0.071 7.168 4.340 4.596 0.000 0.195 212 R C 0.279 176.342 176.300 -0.396 0.000 0.935 212 R CA 0.512 56.502 56.100 -0.185 0.000 1.033 212 R CB 0.251 30.492 30.300 -0.098 0.000 0.964 212 R HN 0.072 nan 8.270 nan 0.000 0.489 213 F N 0.932 120.543 119.950 -0.564 0.000 2.532 213 F HA 0.316 7.600 4.527 4.595 0.000 0.365 213 F C 0.014 175.592 175.800 -0.369 0.000 1.112 213 F CA -0.914 56.639 58.000 -0.744 0.000 1.082 213 F CB 1.260 39.837 39.000 -0.705 0.000 1.319 213 F HN -0.260 nan 8.300 nan 0.000 0.457 214 T N 3.817 118.182 114.554 -0.314 0.000 2.985 214 T HA 0.334 7.441 4.350 4.596 0.000 0.254 214 T C 0.498 175.048 174.700 -0.250 0.000 1.021 214 T CA 0.105 62.032 62.100 -0.288 0.000 0.957 214 T CB 0.269 69.026 68.868 -0.185 0.000 1.047 214 T HN 0.388 nan 8.240 nan 0.000 0.511 215 R N 0.517 120.914 120.500 -0.171 0.000 2.584 215 R HA 0.584 7.681 4.340 4.596 0.000 0.276 215 R C -1.888 174.468 176.300 0.094 0.000 1.046 215 R CA -0.553 55.512 56.100 -0.058 0.000 0.906 215 R CB 1.841 32.126 30.300 -0.025 0.000 1.215 215 R HN 0.142 nan 8.270 nan 0.000 0.449 216 I N 2.333 122.932 120.570 0.048 0.000 2.389 216 I HA 0.464 7.391 4.170 4.596 0.000 0.288 216 I C -0.230 175.871 176.117 -0.027 0.000 0.999 216 I CA -0.585 60.767 61.300 0.087 0.000 1.129 216 I CB 2.069 40.138 38.000 0.115 0.000 1.288 216 I HN 0.565 nan 8.210 nan 0.000 0.444 217 A N 6.432 129.170 122.820 -0.137 0.000 2.288 217 A HA 0.714 7.792 4.320 4.596 0.000 0.320 217 A C -0.561 176.866 177.584 -0.261 0.000 1.217 217 A CA -0.494 51.362 52.037 -0.303 0.000 0.840 217 A CB 1.023 19.538 19.000 -0.808 0.000 1.179 217 A HN 0.462 nan 8.150 nan 0.000 0.504 218 V N 4.046 123.864 119.914 -0.159 0.000 2.304 218 V HA 0.157 7.035 4.120 4.596 0.000 0.269 218 V C -0.163 175.896 176.094 -0.058 0.000 1.036 218 V CA -0.573 61.671 62.300 -0.094 0.000 0.840 218 V CB 0.779 32.584 31.823 -0.029 0.000 1.036 218 V HN 0.902 nan 8.190 nan 0.000 0.466 219 D N 4.146 124.524 120.400 -0.037 0.000 2.372 219 D HA 0.165 7.562 4.640 4.596 0.000 0.243 219 D C 0.649 177.005 176.300 0.092 0.000 1.121 219 D CA 0.300 54.327 54.000 0.044 0.000 0.898 219 D CB 0.822 41.683 40.800 0.101 0.000 1.202 219 D HN 0.634 nan 8.370 nan 0.000 0.428 220 E N 0.950 121.186 120.200 0.060 0.000 2.416 220 E HA -0.165 6.942 4.350 4.596 0.000 0.249 220 E C 1.035 177.487 176.600 -0.246 0.000 1.124 220 E CA 0.168 56.550 56.400 -0.029 0.000 0.732 220 E CB -1.918 27.711 29.700 -0.118 0.000 1.286 220 E HN 0.293 nan 8.360 nan 0.000 0.394 221 V N 1.397 121.246 119.914 -0.108 0.000 2.688 221 V HA -0.303 6.574 4.120 4.596 0.000 0.256 221 V C 2.547 178.524 176.094 -0.196 0.000 1.084 221 V CA 2.549 64.754 62.300 -0.158 0.000 1.103 221 V CB -0.584 30.980 31.823 -0.433 0.000 0.688 221 V HN 0.654 nan 8.190 nan 0.000 0.480 222 H N -1.885 117.094 119.070 -0.151 0.000 2.489 222 H HA -0.155 7.159 4.556 4.596 0.000 0.293 222 H C 2.190 177.478 175.328 -0.068 0.000 1.066 222 H CA 1.617 57.614 56.048 -0.084 0.000 1.305 222 H CB -1.359 28.368 29.762 -0.057 0.000 1.386 222 H HN 0.562 nan 8.280 nan 0.000 0.551 223 C N 0.934 119.744 119.300 -0.817 0.000 2.422 223 C HA -0.093 7.124 4.460 4.596 0.000 0.286 223 C C 3.066 177.902 174.990 -0.256 0.000 1.412 223 C CA 0.512 59.113 59.018 -0.694 0.000 1.786 223 C CB -1.483 25.401 27.740 -1.426 0.000 1.835 223 C HN 0.709 nan 8.230 nan 0.000 0.533 224 C N -0.033 119.250 119.300 -0.029 0.000 2.413 224 C HA -0.040 7.178 4.460 4.596 0.000 0.277 224 C C 1.835 177.048 174.990 0.372 0.000 1.265 224 C CA 0.929 60.090 59.018 0.239 0.000 1.752 224 C CB -1.179 26.697 27.740 0.226 0.000 1.998 224 C HN 0.679 nan 8.230 nan 0.000 0.489 225 S N -0.231 115.655 115.700 0.309 0.000 2.646 225 S HA 0.198 7.425 4.470 4.596 0.000 0.276 225 S C 0.575 175.310 174.600 0.225 0.000 1.222 225 S CA -0.346 58.022 58.200 0.280 0.000 1.014 225 S CB 0.632 63.953 63.200 0.202 0.000 0.991 225 S HN 0.415 nan 8.310 nan 0.000 0.533 226 Q N 1.549 121.450 119.800 0.168 0.000 2.247 226 Q HA 0.083 7.180 4.340 4.596 0.000 0.205 226 Q C -0.473 175.535 176.000 0.013 0.000 0.896 226 Q CA 0.254 55.983 55.803 -0.124 0.000 0.950 226 Q CB 0.060 28.684 28.738 -0.190 0.000 1.054 226 Q HN 0.789 nan 8.270 nan 0.000 0.482 227 W N -0.313 120.944 121.300 -0.072 0.000 2.725 227 W HA 0.338 7.755 4.660 4.595 0.000 0.336 227 W C 0.892 177.413 176.519 0.004 0.000 1.012 227 W CA -0.798 56.525 57.345 -0.036 0.000 1.566 227 W CB 0.193 29.642 29.460 -0.017 0.000 1.068 227 W HN -0.068 nan 8.180 nan 0.000 0.546 228 G N -0.233 108.726 108.800 0.265 0.000 2.504 228 G HA2 0.405 7.122 3.960 4.596 0.000 0.326 228 G HA3 0.405 7.122 3.960 4.596 0.000 0.326 228 G C -0.016 175.019 174.900 0.225 0.000 1.073 228 G CA -0.143 45.103 45.100 0.244 0.000 1.030 228 G HN 0.422 nan 8.290 nan 0.000 0.448 229 H N -0.017 119.148 119.070 0.160 0.000 3.663 229 H HA 0.469 7.783 4.556 4.596 0.000 0.250 229 H C 0.958 176.366 175.328 0.134 0.000 1.363 229 H CA 0.758 56.879 56.048 0.122 0.000 1.259 229 H CB -0.587 29.215 29.762 0.067 0.000 1.435 229 H HN 0.798 nan 8.280 nan 0.000 0.692 230 D N 0.110 120.618 120.400 0.180 0.000 2.785 230 D HA 0.316 7.713 4.640 4.596 0.000 0.324 230 D C 0.050 176.365 176.300 0.026 0.000 1.523 230 D CA -0.560 53.505 54.000 0.108 0.000 0.789 230 D CB -0.796 40.090 40.800 0.144 0.000 1.171 230 D HN 0.631 nan 8.370 nan 0.000 0.447 231 F N 1.723 121.648 119.950 -0.042 0.000 2.629 231 F HA 0.435 7.719 4.527 4.595 0.000 0.369 231 F C 0.682 176.441 175.800 -0.068 0.000 1.125 231 F CA 0.474 58.431 58.000 -0.071 0.000 1.330 231 F CB 0.721 39.718 39.000 -0.006 0.000 1.071 231 F HN 0.406 nan 8.300 nan 0.000 0.595 232 R N 6.181 126.014 120.500 -1.112 0.000 2.514 232 R HA 0.413 7.511 4.340 4.596 0.000 0.296 232 R C -2.623 173.096 176.300 -0.968 0.000 1.012 232 R CA -1.313 54.331 56.100 -0.760 0.000 0.897 232 R CB 0.073 30.179 30.300 -0.322 0.000 1.184 232 R HN 0.465 nan 8.270 nan 0.000 0.440 233 P HA -0.194 nan 4.420 nan 0.000 0.216 233 P C 0.268 177.489 177.300 -0.131 0.000 1.153 233 P CA 1.163 64.094 63.100 -0.283 0.000 0.858 233 P CB 0.339 32.016 31.700 -0.038 0.000 0.789 234 D N -1.690 118.654 120.400 -0.093 0.000 2.265 234 D HA -0.164 7.234 4.640 4.596 0.000 0.208 234 D C 1.808 178.080 176.300 -0.048 0.000 0.977 234 D CA 0.935 54.907 54.000 -0.047 0.000 0.871 234 D CB -0.660 40.111 40.800 -0.048 0.000 0.925 234 D HN 0.300 nan 8.370 nan 0.000 0.485 235 Y N 0.757 120.949 120.300 -0.181 0.000 2.497 235 Y HA -0.163 7.144 4.550 4.596 0.000 0.292 235 Y C 2.463 178.341 175.900 -0.036 0.000 1.137 235 Y CA 0.735 58.760 58.100 -0.124 0.000 1.285 235 Y CB 0.265 38.616 38.460 -0.183 0.000 0.991 235 Y HN -0.163 nan 8.280 nan 0.000 0.556 236 K N -0.692 119.773 120.400 0.110 0.000 2.228 236 K HA 0.059 7.136 4.320 4.596 0.000 0.202 236 K C 2.198 178.841 176.600 0.071 0.000 1.051 236 K CA 0.703 57.074 56.287 0.140 0.000 0.960 236 K CB -0.688 31.927 32.500 0.190 0.000 0.743 236 K HN 0.425 nan 8.250 nan 0.000 0.458 237 A N 0.870 123.706 122.820 0.027 0.000 2.121 237 A HA 0.086 7.164 4.320 4.596 0.000 0.218 237 A C 1.995 179.571 177.584 -0.012 0.000 1.154 237 A CA 0.960 52.999 52.037 0.003 0.000 0.679 237 A CB -0.606 18.387 19.000 -0.012 0.000 0.795 237 A HN 0.366 nan 8.150 nan 0.000 0.458 238 L N -0.814 120.391 121.223 -0.031 0.000 2.376 238 L HA -0.058 7.039 4.340 4.596 0.000 0.219 238 L C 2.573 179.443 176.870 0.001 0.000 1.133 238 L CA 0.576 55.388 54.840 -0.047 0.000 0.816 238 L CB -0.662 41.315 42.059 -0.135 0.000 0.933 238 L HN 0.486 nan 8.230 nan 0.000 0.449 239 G N 0.702 109.511 108.800 0.016 0.000 2.499 239 G HA2 -0.308 6.409 3.960 4.596 0.000 0.221 239 G HA3 -0.308 6.409 3.960 4.596 0.000 0.221 239 G C 1.500 176.389 174.900 -0.019 0.000 1.109 239 G CA 0.513 45.620 45.100 0.012 0.000 0.749 239 G HN 0.316 nan 8.290 nan 0.000 0.568 240 I N 0.365 120.918 120.570 -0.028 0.000 2.567 240 I HA -0.036 6.891 4.170 4.596 0.000 0.257 240 I C 2.472 178.524 176.117 -0.109 0.000 1.184 240 I CA 0.659 61.914 61.300 -0.074 0.000 1.451 240 I CB -0.026 37.937 38.000 -0.062 0.000 1.089 240 I HN 0.161 nan 8.210 nan 0.000 0.441 241 L N -0.148 121.079 121.223 0.007 0.000 2.005 241 L HA -0.174 6.923 4.340 4.596 0.000 0.207 241 L C 2.345 179.248 176.870 0.055 0.000 1.072 241 L CA 1.169 56.102 54.840 0.154 0.000 0.744 241 L CB -0.768 41.431 42.059 0.232 0.000 0.895 241 L HN 0.026 nan 8.230 nan 0.000 0.433 242 K N 0.070 120.471 120.400 0.002 0.000 2.365 242 K HA -0.032 7.045 4.320 4.596 0.000 0.199 242 K C 2.139 178.670 176.600 -0.114 0.000 1.045 242 K CA 0.753 57.016 56.287 -0.041 0.000 0.962 242 K CB -0.019 32.468 32.500 -0.023 0.000 0.759 242 K HN 0.333 nan 8.250 nan 0.000 0.469 243 R N 0.257 120.664 120.500 -0.155 0.000 2.062 243 R HA -0.021 7.077 4.340 4.596 0.000 0.226 243 R C 2.111 178.236 176.300 -0.292 0.000 1.125 243 R CA 0.856 56.849 56.100 -0.178 0.000 0.966 243 R CB 0.036 30.248 30.300 -0.147 0.000 0.861 243 R HN 0.112 nan 8.270 nan 0.000 0.433 244 Q N -0.395 119.099 119.800 -0.510 0.000 2.187 244 Q HA 0.017 7.114 4.340 4.596 0.000 0.199 244 Q C 0.334 175.721 176.000 -1.021 0.000 0.957 244 Q CA 1.090 56.381 55.803 -0.852 0.000 0.857 244 Q CB 0.427 28.338 28.738 -1.378 0.000 0.929 244 Q HN 0.305 nan 8.270 nan 0.000 0.453 245 F N 1.146 120.821 119.950 -0.458 0.000 2.542 245 F HA 0.270 7.554 4.527 4.595 0.000 0.323 245 F C -1.551 174.033 175.800 -0.359 0.000 1.411 245 F CA -1.824 55.676 58.000 -0.833 0.000 1.124 245 F CB 1.156 39.699 39.000 -0.762 0.000 1.331 245 F HN -0.048 nan 8.300 nan 0.000 0.560 246 P HA -0.132 nan 4.420 nan 0.000 0.222 246 P C 0.542 177.876 177.300 0.057 0.000 1.147 246 P CA 1.333 64.432 63.100 -0.001 0.000 0.790 246 P CB 0.335 32.033 31.700 -0.003 0.000 0.780 247 N N -0.355 118.455 118.700 0.184 0.000 2.280 247 N HA 0.114 7.611 4.740 4.596 0.000 0.192 247 N C 0.619 176.148 175.510 0.031 0.000 1.109 247 N CA 0.032 53.145 53.050 0.106 0.000 0.855 247 N CB -0.105 38.419 38.487 0.062 0.000 0.974 247 N HN 0.089 nan 8.380 nan 0.000 0.482 248 A N 1.101 123.934 122.820 0.022 0.000 2.354 248 A HA 0.407 7.484 4.320 4.596 0.000 0.281 248 A C 0.689 178.197 177.584 -0.126 0.000 1.174 248 A CA -0.503 51.405 52.037 -0.215 0.000 0.828 248 A CB 0.111 18.755 19.000 -0.594 0.000 1.099 248 A HN 0.226 nan 8.150 nan 0.000 0.516 249 S N 2.557 118.187 115.700 -0.117 0.000 2.592 249 S HA 0.555 7.782 4.470 4.596 0.000 0.271 249 S C -0.281 174.285 174.600 -0.056 0.000 1.326 249 S CA -0.503 57.650 58.200 -0.078 0.000 1.024 249 S CB 0.828 63.975 63.200 -0.088 0.000 0.921 249 S HN 0.883 nan 8.310 nan 0.000 0.527 250 L N 3.002 124.208 121.223 -0.027 0.000 2.341 250 L HA 0.709 7.807 4.340 4.596 0.000 0.278 250 L C -0.950 175.940 176.870 0.032 0.000 1.005 250 L CA -0.921 53.926 54.840 0.012 0.000 0.818 250 L CB 1.371 43.456 42.059 0.044 0.000 1.259 250 L HN 0.903 nan 8.230 nan 0.000 0.418 251 I N 4.155 124.745 120.570 0.033 0.000 2.406 251 I HA 0.630 7.558 4.170 4.596 0.000 0.290 251 I C -0.142 176.015 176.117 0.067 0.000 0.999 251 I CA -0.336 61.003 61.300 0.064 0.000 1.124 251 I CB 1.427 39.458 38.000 0.051 0.000 1.289 251 I HN 0.688 nan 8.210 nan 0.000 0.441 252 G N 8.289 117.173 108.800 0.141 0.000 2.368 252 G HA2 0.587 7.304 3.960 4.596 0.000 0.320 252 G HA3 0.587 7.304 3.960 4.596 0.000 0.320 252 G C -1.129 173.695 174.900 -0.127 0.000 1.158 252 G CA -0.464 44.567 45.100 -0.116 0.000 0.912 252 G HN 0.382 nan 8.290 nan 0.000 0.456 253 L N 1.418 122.590 121.223 -0.085 0.000 2.346 253 L HA 0.819 7.916 4.340 4.596 0.000 0.276 253 L C 0.211 177.088 176.870 0.011 0.000 1.006 253 L CA -0.696 54.152 54.840 0.012 0.000 0.817 253 L CB 1.252 43.389 42.059 0.130 0.000 1.272 253 L HN 0.610 nan 8.230 nan 0.000 0.421 254 T N 0.059 114.636 114.554 0.038 0.000 2.830 254 T HA 0.632 7.739 4.350 4.596 0.000 0.322 254 T C 0.183 174.912 174.700 0.048 0.000 1.501 254 T CA 0.419 62.567 62.100 0.079 0.000 1.036 254 T CB 1.685 70.618 68.868 0.108 0.000 1.379 254 T HN 0.670 nan 8.240 nan 0.000 0.493 255 A N 1.375 124.207 122.820 0.020 0.000 2.063 255 A HA 0.328 7.406 4.320 4.596 0.000 0.211 255 A C 1.173 178.753 177.584 -0.007 0.000 1.177 255 A CA 1.129 53.182 52.037 0.026 0.000 0.759 255 A CB -0.169 18.862 19.000 0.053 0.000 0.857 255 A HN 1.075 nan 8.150 nan 0.000 0.468 256 T N -1.249 113.229 114.554 -0.126 0.000 3.262 256 T HA 0.681 7.788 4.350 4.596 0.000 0.374 256 T C -0.417 174.198 174.700 -0.141 0.000 1.504 256 T CA 0.152 62.148 62.100 -0.173 0.000 1.158 256 T CB 0.448 69.091 68.868 -0.375 0.000 1.157 256 T HN 0.711 nan 8.240 nan 0.000 0.644 257 A N 2.726 125.530 122.820 -0.027 0.000 2.410 257 A HA 0.667 7.744 4.320 4.596 0.000 0.289 257 A C 0.208 177.804 177.584 0.021 0.000 1.200 257 A CA -0.748 51.294 52.037 0.010 0.000 0.751 257 A CB 0.916 19.938 19.000 0.037 0.000 1.161 257 A HN 0.601 nan 8.150 nan 0.000 0.459 258 T N 1.405 115.958 114.554 -0.001 0.000 2.909 258 T HA 0.145 7.253 4.350 4.596 0.000 0.286 258 T C 1.559 176.229 174.700 -0.050 0.000 1.002 258 T CA -0.104 61.982 62.100 -0.023 0.000 1.074 258 T CB 1.183 70.028 68.868 -0.039 0.000 0.984 258 T HN 0.747 nan 8.240 nan 0.000 0.495 259 N N 0.359 119.027 118.700 -0.053 0.000 2.192 259 N HA -0.187 7.310 4.740 4.596 0.000 0.188 259 N C 1.633 177.050 175.510 -0.156 0.000 1.013 259 N CA 1.560 54.572 53.050 -0.064 0.000 0.863 259 N CB 0.006 38.464 38.487 -0.048 0.000 0.990 259 N HN 0.565 nan 8.380 nan 0.000 0.430 260 H N -2.512 116.381 119.070 -0.295 0.000 2.563 260 H HA 0.201 7.514 4.556 4.596 0.000 0.264 260 H C 1.943 176.825 175.328 -0.743 0.000 0.957 260 H CA 0.641 56.338 56.048 -0.584 0.000 1.173 260 H CB 0.029 29.245 29.762 -0.910 0.000 1.420 260 H HN 0.143 nan 8.280 nan 0.000 0.551 261 V N 0.292 119.944 119.914 -0.438 0.000 2.649 261 V HA -0.081 6.796 4.120 4.596 0.000 0.248 261 V C 2.336 178.389 176.094 -0.070 0.000 1.054 261 V CA 1.254 63.410 62.300 -0.239 0.000 1.073 261 V CB -0.429 31.368 31.823 -0.044 0.000 0.699 261 V HN 0.418 nan 8.190 nan 0.000 0.463 262 L N -0.385 120.829 121.223 -0.016 0.000 2.044 262 L HA -0.103 6.994 4.340 4.596 0.000 0.205 262 L C 2.651 179.605 176.870 0.139 0.000 1.075 262 L CA 1.647 56.581 54.840 0.157 0.000 0.747 262 L CB -0.912 41.267 42.059 0.199 0.000 0.903 262 L HN 0.271 nan 8.230 nan 0.000 0.435 263 T N -0.971 113.571 114.554 -0.020 0.000 2.803 263 T HA -0.233 6.875 4.350 4.596 0.000 0.269 263 T C 1.427 176.100 174.700 -0.045 0.000 1.052 263 T CA 1.829 63.892 62.100 -0.062 0.000 1.136 263 T CB -0.188 68.608 68.868 -0.120 0.000 0.864 263 T HN 0.309 nan 8.240 nan 0.000 0.467 264 D N 0.471 120.830 120.400 -0.068 0.000 2.162 264 D HA 0.141 7.538 4.640 4.596 0.000 0.205 264 D C 2.230 178.582 176.300 0.087 0.000 0.964 264 D CA 0.889 54.883 54.000 -0.009 0.000 0.847 264 D CB -0.241 40.522 40.800 -0.061 0.000 0.988 264 D HN 0.299 nan 8.370 nan 0.000 0.480 265 A N 0.298 123.201 122.820 0.137 0.000 1.933 265 A HA -0.233 6.845 4.320 4.596 0.000 0.218 265 A C 2.133 179.882 177.584 0.275 0.000 1.175 265 A CA 1.780 53.949 52.037 0.220 0.000 0.628 265 A CB -0.826 18.306 19.000 0.220 0.000 0.814 265 A HN 0.370 nan 8.150 nan 0.000 0.444 266 Q N -0.417 119.527 119.800 0.240 0.000 2.135 266 Q HA -0.203 6.894 4.340 4.596 0.000 0.204 266 Q C 1.844 177.857 176.000 0.021 0.000 0.981 266 Q CA 1.645 57.475 55.803 0.044 0.000 0.856 266 Q CB -0.042 28.605 28.738 -0.151 0.000 0.902 266 Q HN 0.563 nan 8.270 nan 0.000 0.425 267 K N 0.253 120.675 120.400 0.037 0.000 2.031 267 K HA -0.074 7.004 4.320 4.596 0.000 0.205 267 K C 2.112 178.746 176.600 0.057 0.000 1.049 267 K CA 0.817 57.123 56.287 0.032 0.000 0.939 267 K CB -0.101 32.420 32.500 0.035 0.000 0.717 267 K HN 0.325 nan 8.250 nan 0.000 0.438 268 I N 1.414 122.041 120.570 0.095 0.000 2.264 268 I HA -0.241 6.687 4.170 4.596 0.000 0.248 268 I C 2.182 178.354 176.117 0.091 0.000 1.111 268 I CA 1.334 62.699 61.300 0.109 0.000 1.382 268 I CB -0.579 37.516 38.000 0.158 0.000 1.060 268 I HN 0.123 nan 8.210 nan 0.000 0.418 269 L N -0.128 121.157 121.223 0.104 0.000 2.554 269 L HA -0.000 7.097 4.340 4.596 0.000 0.226 269 L C 0.751 177.645 176.870 0.040 0.000 1.137 269 L CA -0.089 54.803 54.840 0.088 0.000 0.863 269 L CB -0.145 42.003 42.059 0.150 0.000 0.985 269 L HN 0.339 nan 8.230 nan 0.000 0.451 270 C N 0.940 120.253 119.300 0.022 0.000 4.424 270 C HA -0.159 7.059 4.460 4.596 0.000 0.304 270 C C 0.549 175.521 174.990 -0.030 0.000 1.344 270 C CA -0.347 58.666 59.018 -0.008 0.000 2.033 270 C CB -3.108 24.622 27.740 -0.016 0.000 1.264 270 C HN 0.316 nan 8.230 nan 0.000 0.750 271 I N 0.717 121.261 120.570 -0.044 0.000 2.377 271 I HA 0.638 7.565 4.170 4.596 0.000 0.293 271 I C -0.025 176.022 176.117 -0.116 0.000 0.987 271 I CA 0.343 61.590 61.300 -0.089 0.000 1.185 271 I CB 1.607 39.527 38.000 -0.134 0.000 1.341 271 I HN 0.425 nan 8.210 nan 0.000 0.455 272 E N 4.593 124.723 120.200 -0.116 0.000 2.647 272 E HA 0.429 7.536 4.350 4.596 0.000 0.320 272 E C -1.041 175.485 176.600 -0.123 0.000 0.951 272 E CA -0.482 55.836 56.400 -0.137 0.000 0.809 272 E CB 1.195 30.828 29.700 -0.111 0.000 1.295 272 E HN 0.545 nan 8.360 nan 0.000 0.407 273 K N 1.089 121.398 120.400 -0.152 0.000 2.209 273 K HA 0.818 7.896 4.320 4.596 0.000 0.238 273 K C -0.603 175.825 176.600 -0.286 0.000 1.028 273 K CA -0.036 56.120 56.287 -0.218 0.000 0.935 273 K CB 1.674 34.032 32.500 -0.237 0.000 1.162 273 K HN 0.532 nan 8.250 nan 0.000 0.485 274 C N 0.087 119.157 119.300 -0.383 0.000 3.090 274 C HA 0.769 7.986 4.460 4.596 0.000 0.347 274 C C -1.487 173.197 174.990 -0.510 0.000 1.147 274 C CA -1.195 57.565 59.018 -0.430 0.000 1.305 274 C CB -0.275 27.171 27.740 -0.490 0.000 1.692 274 C HN 0.716 nan 8.230 nan 0.000 0.506 275 F N 2.653 122.380 119.950 -0.371 0.000 2.379 275 F HA 0.516 7.801 4.527 4.596 0.000 0.332 275 F C 0.984 176.509 175.800 -0.457 0.000 1.096 275 F CA 0.102 57.829 58.000 -0.455 0.000 1.105 275 F CB 1.672 40.181 39.000 -0.819 0.000 1.189 275 F HN 0.440 nan 8.300 nan 0.000 0.515 276 T N 4.110 118.606 114.554 -0.096 0.000 2.833 276 T HA 0.426 7.533 4.350 4.596 0.000 0.297 276 T C -0.796 174.022 174.700 0.198 0.000 1.015 276 T CA -0.451 61.655 62.100 0.009 0.000 0.963 276 T CB 0.099 69.010 68.868 0.072 0.000 0.955 276 T HN 0.273 nan 8.240 nan 0.000 0.449 277 F N 2.050 122.065 119.950 0.110 0.000 2.411 277 F HA 0.405 7.689 4.527 4.595 0.000 0.352 277 F C 0.816 176.662 175.800 0.076 0.000 1.123 277 F CA -1.053 56.989 58.000 0.069 0.000 1.044 277 F CB 1.543 40.550 39.000 0.011 0.000 1.135 277 F HN 0.302 nan 8.300 nan 0.000 0.461 278 T N 3.218 117.928 114.554 0.260 0.000 2.791 278 T HA 0.503 7.611 4.350 4.596 0.000 0.288 278 T C -0.059 174.712 174.700 0.118 0.000 0.999 278 T CA -0.536 61.663 62.100 0.166 0.000 0.952 278 T CB 1.272 70.227 68.868 0.145 0.000 0.938 278 T HN 0.651 nan 8.240 nan 0.000 0.444 279 A N 3.195 126.073 122.820 0.098 0.000 2.371 279 A HA 0.634 7.712 4.320 4.596 0.000 0.257 279 A C 0.882 178.499 177.584 0.055 0.000 1.089 279 A CA -0.653 51.423 52.037 0.064 0.000 0.794 279 A CB 0.177 19.212 19.000 0.060 0.000 1.029 279 A HN 0.877 nan 8.150 nan 0.000 0.488 280 S N 1.475 117.197 115.700 0.036 0.000 2.572 280 S HA 0.229 7.456 4.470 4.596 0.000 0.279 280 S C 0.771 175.335 174.600 -0.059 0.000 1.341 280 S CA 0.315 58.524 58.200 0.016 0.000 1.043 280 S CB -0.024 63.184 63.200 0.012 0.000 0.887 280 S HN 1.348 nan 8.310 nan 0.000 0.516 281 F N 2.437 122.289 119.950 -0.163 0.000 2.216 281 F HA 0.116 7.398 4.527 4.591 0.000 0.300 281 F C 0.763 176.516 175.800 -0.079 0.000 1.085 281 F CA 0.371 58.137 58.000 -0.391 0.000 1.326 281 F CB -1.036 37.339 39.000 -1.041 0.000 1.027 281 F HN 0.588 nan 8.300 nan 0.000 0.497 282 N N 1.991 119.955 118.700 -1.226 0.000 2.412 282 N HA 0.003 7.501 4.740 4.596 0.000 0.258 282 N C -0.858 174.530 175.510 -0.202 0.000 1.236 282 N CA 0.128 52.612 53.050 -0.943 0.000 0.882 282 N CB 0.244 38.394 38.487 -0.563 0.000 1.066 282 N HN 0.194 nan 8.380 nan 0.000 0.465 283 R N 5.607 126.100 120.500 -0.012 0.000 2.396 283 R HA 0.227 7.324 4.340 4.596 0.000 0.292 283 R C -1.785 174.547 176.300 0.053 0.000 1.240 283 R CA -1.547 54.580 56.100 0.044 0.000 1.270 283 R CB 1.117 31.456 30.300 0.065 0.000 1.108 283 R HN 0.602 nan 8.270 nan 0.000 0.573 284 P HA -0.191 nan 4.420 nan 0.000 0.218 284 P C 0.492 177.831 177.300 0.065 0.000 1.146 284 P CA 1.235 64.384 63.100 0.082 0.000 0.813 284 P CB 0.246 31.985 31.700 0.065 0.000 0.778 285 N N -0.346 118.377 118.700 0.037 0.000 2.461 285 N HA -0.017 7.480 4.740 4.596 0.000 0.188 285 N C 0.407 175.922 175.510 0.008 0.000 1.134 285 N CA 0.145 53.214 53.050 0.032 0.000 0.878 285 N CB -0.456 38.046 38.487 0.025 0.000 0.972 285 N HN 0.232 nan 8.380 nan 0.000 0.456 286 L N 1.325 122.507 121.223 -0.068 0.000 2.276 286 L HA 0.248 7.345 4.340 4.596 0.000 0.286 286 L C -0.680 176.035 176.870 -0.260 0.000 1.061 286 L CA -0.953 53.747 54.840 -0.234 0.000 0.807 286 L CB 0.686 42.449 42.059 -0.493 0.000 1.177 286 L HN 0.038 nan 8.230 nan 0.000 0.429 287 Y N 3.722 123.895 120.300 -0.213 0.000 2.350 287 Y HA 0.295 7.592 4.550 4.577 0.000 0.340 287 Y C -0.861 174.989 175.900 -0.083 0.000 1.006 287 Y CA -0.335 57.716 58.100 -0.080 0.000 1.166 287 Y CB 0.423 38.909 38.460 0.044 0.000 1.168 287 Y HN 0.291 nan 8.280 nan 0.000 0.502 288 Y N 4.543 124.674 120.300 -0.281 0.000 2.335 288 Y HA 0.411 7.723 4.550 4.604 0.000 0.339 288 Y C -0.014 175.760 175.900 -0.209 0.000 0.987 288 Y CA -0.912 57.150 58.100 -0.064 0.000 1.140 288 Y CB 1.279 39.797 38.460 0.096 0.000 1.173 288 Y HN 0.586 nan 8.280 nan 0.000 0.486 289 E N 1.883 122.198 120.200 0.192 0.000 2.314 289 E HA 0.705 7.812 4.350 4.596 0.000 0.272 289 E C -1.943 174.712 176.600 0.093 0.000 0.884 289 E CA -0.768 55.705 56.400 0.122 0.000 0.753 289 E CB 1.884 31.735 29.700 0.251 0.000 1.213 289 E HN 0.388 nan 8.360 nan 0.000 0.432 290 V N 4.433 124.339 119.914 -0.013 0.000 2.378 290 V HA 0.484 7.361 4.120 4.596 0.000 0.288 290 V C -0.166 175.906 176.094 -0.037 0.000 1.016 290 V CA -0.617 61.651 62.300 -0.054 0.000 0.840 290 V CB 1.303 33.039 31.823 -0.147 0.000 0.994 290 V HN 0.636 nan 8.190 nan 0.000 0.431 291 R N 2.427 122.871 120.500 -0.093 0.000 2.643 291 R HA 0.559 7.656 4.340 4.596 0.000 0.272 291 R C -0.410 175.936 176.300 0.077 0.000 0.995 291 R CA -1.001 55.080 56.100 -0.033 0.000 1.032 291 R CB 1.199 31.426 30.300 -0.122 0.000 1.126 291 R HN 0.625 nan 8.270 nan 0.000 0.505 292 Q N 2.319 122.177 119.800 0.095 0.000 2.311 292 Q HA -0.008 7.090 4.340 4.596 0.000 0.272 292 Q C -0.756 175.286 176.000 0.071 0.000 1.012 292 Q CA 0.599 56.436 55.803 0.056 0.000 0.891 292 Q CB 0.680 29.422 28.738 0.007 0.000 1.201 292 Q HN 0.381 nan 8.270 nan 0.000 0.391 293 K N 5.555 125.930 120.400 -0.043 0.000 2.276 293 K HA 0.360 7.438 4.320 4.596 0.000 0.283 293 K C -2.315 174.076 176.600 -0.348 0.000 1.044 293 K CA -1.866 54.242 56.287 -0.298 0.000 0.944 293 K CB 0.554 32.856 32.500 -0.330 0.000 1.012 293 K HN 0.468 nan 8.250 nan 0.000 0.472 294 P HA 0.102 nan 4.420 nan 0.000 0.275 294 P C -0.254 176.932 177.300 -0.190 0.000 1.228 294 P CA -0.346 62.609 63.100 -0.241 0.000 0.786 294 P CB 1.414 33.020 31.700 -0.156 0.000 0.927 295 S N 0.616 116.253 115.700 -0.104 0.000 2.356 295 S HA -0.110 7.117 4.470 4.596 0.000 0.223 295 S C 1.058 175.645 174.600 -0.022 0.000 1.032 295 S CA 0.938 59.102 58.200 -0.060 0.000 1.005 295 S CB -0.690 62.483 63.200 -0.046 0.000 0.867 295 S HN 0.595 nan 8.310 nan 0.000 0.449 296 N N 2.098 120.793 118.700 -0.008 0.000 2.452 296 N HA 0.008 7.506 4.740 4.596 0.000 0.266 296 N C 1.070 176.622 175.510 0.070 0.000 1.175 296 N CA 0.466 53.532 53.050 0.025 0.000 0.945 296 N CB 1.326 39.827 38.487 0.022 0.000 1.063 296 N HN 0.376 nan 8.380 nan 0.000 0.472 297 T N 0.302 114.913 114.554 0.095 0.000 3.035 297 T HA -0.048 7.059 4.350 4.596 0.000 0.268 297 T C 1.575 176.358 174.700 0.138 0.000 1.109 297 T CA 1.499 63.696 62.100 0.163 0.000 1.119 297 T CB -0.068 68.886 68.868 0.144 0.000 0.900 297 T HN 0.541 nan 8.240 nan 0.000 0.503 298 E N 1.867 122.118 120.200 0.085 0.000 2.190 298 E HA 0.009 7.117 4.350 4.596 0.000 0.191 298 E C 1.770 178.406 176.600 0.061 0.000 0.978 298 E CA 0.875 57.308 56.400 0.056 0.000 0.839 298 E CB -0.893 28.828 29.700 0.035 0.000 0.787 298 E HN 0.621 nan 8.360 nan 0.000 0.473 299 D N -0.538 119.906 120.400 0.074 0.000 2.219 299 D HA -0.042 7.355 4.640 4.596 0.000 0.205 299 D C 1.491 177.870 176.300 0.132 0.000 0.970 299 D CA 0.624 54.669 54.000 0.075 0.000 0.851 299 D CB -0.252 40.579 40.800 0.051 0.000 0.943 299 D HN 0.397 nan 8.370 nan 0.000 0.488 300 F N 1.249 121.166 119.950 -0.055 0.000 2.163 300 F HA -0.060 7.223 4.527 4.592 0.000 0.297 300 F C 1.940 177.690 175.800 -0.083 0.000 1.094 300 F CA 0.466 58.397 58.000 -0.115 0.000 1.290 300 F CB -0.358 38.559 39.000 -0.138 0.000 1.017 300 F HN -0.166 nan 8.300 nan 0.000 0.483 301 I N 0.679 121.230 120.570 -0.032 0.000 2.163 301 I HA -0.254 6.673 4.170 4.596 0.000 0.243 301 I C 2.412 178.497 176.117 -0.053 0.000 1.085 301 I CA 1.461 62.690 61.300 -0.119 0.000 1.347 301 I CB -1.612 36.348 38.000 -0.066 0.000 1.044 301 I HN 0.075 nan 8.210 nan 0.000 0.408 302 E N 0.351 120.551 120.200 -0.000 0.000 2.118 302 E HA -0.241 6.866 4.350 4.596 0.000 0.195 302 E C 1.731 178.344 176.600 0.023 0.000 0.992 302 E CA 1.456 57.861 56.400 0.010 0.000 0.804 302 E CB -0.563 29.150 29.700 0.021 0.000 0.741 302 E HN 0.568 nan 8.360 nan 0.000 0.458 303 D N -0.283 120.151 120.400 0.056 0.000 2.144 303 D HA -0.025 7.372 4.640 4.596 0.000 0.199 303 D C 1.901 178.248 176.300 0.078 0.000 0.984 303 D CA 0.769 54.824 54.000 0.091 0.000 0.834 303 D CB -0.237 40.663 40.800 0.166 0.000 0.955 303 D HN 0.312 nan 8.370 nan 0.000 0.465 304 I N 0.064 120.640 120.570 0.010 0.000 2.193 304 I HA -0.201 6.726 4.170 4.596 0.000 0.240 304 I C 2.219 178.333 176.117 -0.006 0.000 1.084 304 I CA 0.535 61.834 61.300 -0.001 0.000 1.365 304 I CB -0.138 37.781 38.000 -0.136 0.000 1.064 304 I HN -0.115 nan 8.210 nan 0.000 0.410 305 V N 1.002 120.901 119.914 -0.024 0.000 2.453 305 V HA -0.324 6.553 4.120 4.596 0.000 0.252 305 V C 2.315 178.395 176.094 -0.023 0.000 1.068 305 V CA 1.857 64.145 62.300 -0.019 0.000 1.070 305 V CB -0.880 30.931 31.823 -0.020 0.000 0.664 305 V HN 0.406 nan 8.190 nan 0.000 0.461 306 K N -0.416 119.972 120.400 -0.020 0.000 2.155 306 K HA -0.006 7.072 4.320 4.596 0.000 0.203 306 K C 2.069 178.617 176.600 -0.086 0.000 1.052 306 K CA 0.997 57.263 56.287 -0.035 0.000 0.948 306 K CB -0.182 32.310 32.500 -0.013 0.000 0.728 306 K HN 0.376 nan 8.250 nan 0.000 0.448 307 L N 0.641 121.806 121.223 -0.097 0.000 2.027 307 L HA -0.141 6.956 4.340 4.596 0.000 0.206 307 L C 2.274 178.963 176.870 -0.302 0.000 1.074 307 L CA 1.146 55.828 54.840 -0.262 0.000 0.745 307 L CB -0.298 41.677 42.059 -0.141 0.000 0.898 307 L HN 0.146 nan 8.230 nan 0.000 0.433 308 I N 0.035 120.533 120.570 -0.120 0.000 2.315 308 I HA -0.250 6.678 4.170 4.596 0.000 0.248 308 I C 1.555 177.662 176.117 -0.017 0.000 1.117 308 I CA 1.074 62.339 61.300 -0.058 0.000 1.404 308 I CB -0.235 37.762 38.000 -0.006 0.000 1.071 308 I HN 0.350 nan 8.210 nan 0.000 0.419 309 N N 0.376 119.054 118.700 -0.036 0.000 2.280 309 N HA 0.072 7.569 4.740 4.596 0.000 0.192 309 N C 0.988 176.472 175.510 -0.043 0.000 1.109 309 N CA 0.505 53.545 53.050 -0.016 0.000 0.855 309 N CB 0.700 39.182 38.487 -0.008 0.000 0.974 309 N HN 0.352 nan 8.380 nan 0.000 0.482 310 G N 1.305 110.045 108.800 -0.100 0.000 2.727 310 G HA2 -0.001 6.716 3.960 4.596 0.000 0.212 310 G HA3 -0.001 6.716 3.960 4.596 0.000 0.212 310 G C 1.179 175.981 174.900 -0.164 0.000 2.076 310 G CA -0.032 44.995 45.100 -0.121 0.000 0.744 310 G HN 0.217 nan 8.290 nan 0.000 0.775 311 R N -0.539 119.779 120.500 -0.303 0.000 2.127 311 R HA -0.050 7.047 4.340 4.596 0.000 0.238 311 R C 1.279 177.446 176.300 -0.223 0.000 1.134 311 R CA 1.653 57.549 56.100 -0.340 0.000 0.975 311 R CB -0.655 29.331 30.300 -0.523 0.000 0.865 311 R HN 0.520 nan 8.270 nan 0.000 0.447 312 Y N 1.128 121.382 120.300 -0.078 0.000 2.683 312 Y HA 0.311 8.156 4.550 5.490 0.000 0.297 312 Y C 0.732 176.639 175.900 0.012 0.000 1.147 312 Y CA -0.464 57.606 58.100 -0.049 0.000 1.274 312 Y CB 0.124 38.397 38.460 -0.312 0.000 1.143 312 Y HN 0.089 nan 8.280 nan 0.000 0.527 313 K N 0.963 121.419 120.400 0.094 0.000 2.447 313 K HA 0.408 7.485 4.320 4.596 0.000 0.281 313 K C 1.312 177.974 176.600 0.103 0.000 1.031 313 K CA 0.430 56.764 56.287 0.078 0.000 1.019 313 K CB -0.416 32.103 32.500 0.032 0.000 0.918 313 K HN 0.746 nan 8.250 nan 0.000 0.476 314 G N 0.892 109.755 108.800 0.105 0.000 2.302 314 G HA2 -0.296 6.422 3.960 4.596 0.000 0.263 314 G HA3 -0.296 6.422 3.960 4.596 0.000 0.263 314 G C 0.472 175.435 174.900 0.105 0.000 0.995 314 G CA 0.796 45.948 45.100 0.087 0.000 0.622 314 G HN 0.884 nan 8.290 nan 0.000 0.538 315 Q N 0.475 120.379 119.800 0.174 0.000 2.260 315 Q HA 0.608 7.705 4.340 4.596 0.000 0.238 315 Q C -0.019 176.114 176.000 0.222 0.000 0.948 315 Q CA -0.138 55.778 55.803 0.188 0.000 0.895 315 Q CB 1.236 30.132 28.738 0.263 0.000 1.218 315 Q HN 0.226 nan 8.270 nan 0.000 0.470 316 S N -0.440 115.293 115.700 0.055 0.000 2.586 316 S HA 0.753 7.980 4.470 4.596 0.000 0.274 316 S C -0.189 174.203 174.600 -0.346 0.000 1.281 316 S CA -0.366 57.784 58.200 -0.083 0.000 1.035 316 S CB 1.201 64.232 63.200 -0.282 0.000 0.962 316 S HN 0.709 nan 8.310 nan 0.000 0.512 317 G N 0.996 109.467 108.800 -0.548 0.000 2.550 317 G HA2 0.632 7.349 3.960 4.596 0.000 0.293 317 G HA3 0.632 7.349 3.960 4.596 0.000 0.293 317 G C -1.887 172.611 174.900 -0.670 0.000 1.402 317 G CA -0.677 43.581 45.100 -1.404 0.000 0.784 317 G HN 0.615 nan 8.290 nan 0.000 0.482 318 I N 0.109 120.270 120.570 -0.681 0.000 2.545 318 I HA 0.459 7.387 4.170 4.596 0.000 0.292 318 I C -0.714 175.183 176.117 -0.366 0.000 1.040 318 I CA -0.739 60.217 61.300 -0.573 0.000 1.068 318 I CB 2.490 40.084 38.000 -0.677 0.000 1.251 318 I HN 0.223 nan 8.210 nan 0.000 0.424 319 I N 5.779 126.131 120.570 -0.364 0.000 2.328 319 I HA 0.288 7.215 4.170 4.596 0.000 0.287 319 I C -0.953 174.957 176.117 -0.346 0.000 1.012 319 I CA -0.459 60.726 61.300 -0.191 0.000 1.195 319 I CB 0.721 38.682 38.000 -0.065 0.000 1.350 319 I HN 0.414 nan 8.210 nan 0.000 0.464 320 Y N 4.941 125.139 120.300 -0.170 0.000 2.327 320 Y HA 0.338 7.648 4.550 4.600 0.000 0.336 320 Y C 0.311 176.226 175.900 0.025 0.000 1.035 320 Y CA -0.351 57.644 58.100 -0.175 0.000 1.165 320 Y CB 1.144 39.326 38.460 -0.464 0.000 1.181 320 Y HN 0.519 nan 8.280 nan 0.000 0.494 321 C N 4.128 123.578 119.300 0.250 0.000 2.529 321 C HA 0.187 7.404 4.460 4.596 0.000 0.329 321 C C 1.502 176.679 174.990 0.311 0.000 1.194 321 C CA -1.034 58.144 59.018 0.267 0.000 1.779 321 C CB 0.776 28.572 27.740 0.092 0.000 2.322 321 C HN 1.005 nan 8.230 nan 0.000 0.500 322 F N 2.592 122.680 119.950 0.231 0.000 2.102 322 F HA -0.039 7.243 4.527 4.591 0.000 0.298 322 F C 1.363 177.239 175.800 0.127 0.000 1.105 322 F CA 2.005 60.112 58.000 0.179 0.000 1.239 322 F CB 0.032 39.137 39.000 0.175 0.000 0.991 322 F HN 0.703 nan 8.300 nan 0.000 0.474 323 S N -1.200 114.513 115.700 0.021 0.000 2.704 323 S HA 0.298 7.525 4.470 4.596 0.000 0.296 323 S C 0.422 174.994 174.600 -0.045 0.000 1.138 323 S CA -0.210 57.917 58.200 -0.122 0.000 0.875 323 S CB 1.405 64.607 63.200 0.003 0.000 1.151 323 S HN 0.404 nan 8.310 nan 0.000 0.500 324 Q N 0.778 120.509 119.800 -0.115 0.000 2.167 324 Q HA 0.013 7.110 4.340 4.596 0.000 0.202 324 Q C 1.798 177.690 176.000 -0.180 0.000 0.970 324 Q CA 1.225 56.898 55.803 -0.216 0.000 0.855 324 Q CB -0.273 28.153 28.738 -0.519 0.000 0.911 324 Q HN 0.700 nan 8.270 nan 0.000 0.438 325 K N 0.534 120.874 120.400 -0.100 0.000 2.062 325 K HA -0.166 6.911 4.320 4.596 0.000 0.205 325 K C 1.171 177.763 176.600 -0.013 0.000 1.051 325 K CA 1.552 57.807 56.287 -0.054 0.000 0.941 325 K CB 0.004 32.495 32.500 -0.015 0.000 0.719 325 K HN 0.185 nan 8.250 nan 0.000 0.440 326 D N 0.282 120.700 120.400 0.031 0.000 2.133 326 D HA -0.178 7.219 4.640 4.596 0.000 0.195 326 D C 1.992 178.246 176.300 -0.077 0.000 0.997 326 D CA 1.751 55.766 54.000 0.025 0.000 0.840 326 D CB -0.205 40.675 40.800 0.133 0.000 0.947 326 D HN 0.316 nan 8.370 nan 0.000 0.452 327 S N 0.110 115.785 115.700 -0.043 0.000 2.357 327 S HA -0.131 7.096 4.470 4.596 0.000 0.221 327 S C 1.840 176.417 174.600 -0.038 0.000 1.031 327 S CA 0.942 59.112 58.200 -0.050 0.000 0.982 327 S CB -0.286 62.931 63.200 0.029 0.000 0.853 327 S HN 0.248 nan 8.310 nan 0.000 0.458 328 E N 1.069 121.268 120.200 -0.002 0.000 2.077 328 E HA -0.177 6.930 4.350 4.596 0.000 0.193 328 E C 2.558 179.142 176.600 -0.027 0.000 0.989 328 E CA 1.496 57.898 56.400 0.004 0.000 0.800 328 E CB -0.225 29.476 29.700 0.002 0.000 0.746 328 E HN 0.687 nan 8.360 nan 0.000 0.452 329 Q N 0.273 120.050 119.800 -0.038 0.000 2.020 329 Q HA -0.143 6.954 4.340 4.596 0.000 0.202 329 Q C 2.443 178.402 176.000 -0.068 0.000 0.982 329 Q CA 1.460 57.240 55.803 -0.038 0.000 0.838 329 Q CB -0.057 28.671 28.738 -0.017 0.000 0.899 329 Q HN 0.157 nan 8.270 nan 0.000 0.423 330 V N 0.842 120.681 119.914 -0.125 0.000 2.407 330 V HA -0.267 6.610 4.120 4.596 0.000 0.248 330 V C 2.193 178.211 176.094 -0.127 0.000 1.055 330 V CA 2.108 64.301 62.300 -0.177 0.000 1.049 330 V CB -0.969 30.648 31.823 -0.344 0.000 0.662 330 V HN 0.464 nan 8.190 nan 0.000 0.455 331 T N 0.123 114.614 114.554 -0.104 0.000 2.595 331 T HA -0.213 6.894 4.350 4.596 0.000 0.264 331 T C 1.973 176.637 174.700 -0.061 0.000 1.058 331 T CA 1.866 63.919 62.100 -0.079 0.000 1.166 331 T CB -0.488 68.341 68.868 -0.065 0.000 0.863 331 T HN 0.245 nan 8.240 nan 0.000 0.415 332 V N 1.669 121.554 119.914 -0.048 0.000 2.250 332 V HA -0.262 6.615 4.120 4.596 0.000 0.253 332 V C 2.782 178.850 176.094 -0.043 0.000 1.065 332 V CA 2.312 64.588 62.300 -0.039 0.000 1.039 332 V CB -1.038 30.767 31.823 -0.029 0.000 0.647 332 V HN 0.493 nan 8.190 nan 0.000 0.446 333 S N -0.170 115.502 115.700 -0.047 0.000 2.372 333 S HA -0.230 6.998 4.470 4.596 0.000 0.227 333 S C 1.809 176.378 174.600 -0.051 0.000 1.044 333 S CA 2.032 60.205 58.200 -0.046 0.000 1.050 333 S CB -0.441 62.727 63.200 -0.053 0.000 0.901 333 S HN 0.499 nan 8.310 nan 0.000 0.447 334 L N 0.940 122.126 121.223 -0.061 0.000 2.131 334 L HA -0.076 7.021 4.340 4.596 0.000 0.206 334 L C 2.750 179.587 176.870 -0.055 0.000 1.087 334 L CA 0.924 55.731 54.840 -0.054 0.000 0.767 334 L CB -0.536 41.493 42.059 -0.051 0.000 0.917 334 L HN 0.317 nan 8.230 nan 0.000 0.441 335 Q N 0.153 119.918 119.800 -0.059 0.000 2.061 335 Q HA -0.209 6.889 4.340 4.596 0.000 0.204 335 Q C 1.971 177.928 176.000 -0.073 0.000 0.984 335 Q CA 1.626 57.384 55.803 -0.074 0.000 0.846 335 Q CB -0.216 28.485 28.738 -0.061 0.000 0.902 335 Q HN 0.498 nan 8.270 nan 0.000 0.421 336 N N 0.553 119.221 118.700 -0.053 0.000 2.272 336 N HA -0.121 7.377 4.740 4.596 0.000 0.185 336 N C 1.249 176.733 175.510 -0.042 0.000 1.014 336 N CA 0.991 54.015 53.050 -0.043 0.000 0.870 336 N CB -0.064 38.404 38.487 -0.032 0.000 0.975 336 N HN 0.258 nan 8.380 nan 0.000 0.433 337 L N -0.765 120.431 121.223 -0.044 0.000 2.653 337 L HA 0.246 7.344 4.340 4.596 0.000 0.232 337 L C 1.266 178.111 176.870 -0.042 0.000 1.169 337 L CA 0.128 54.946 54.840 -0.036 0.000 0.951 337 L CB -0.163 41.877 42.059 -0.030 0.000 1.181 337 L HN 0.229 nan 8.230 nan 0.000 0.460 338 G N -0.089 108.672 108.800 -0.066 0.000 2.254 338 G HA2 -0.219 6.498 3.960 4.596 0.000 0.225 338 G HA3 -0.219 6.498 3.960 4.596 0.000 0.225 338 G C 0.323 175.148 174.900 -0.125 0.000 1.003 338 G CA -0.575 44.474 45.100 -0.085 0.000 0.622 338 G HN 0.098 nan 8.290 nan 0.000 0.507 339 I N 2.138 122.659 120.570 -0.081 0.000 2.556 339 I HA 0.207 7.135 4.170 4.596 0.000 0.284 339 I C 0.682 176.741 176.117 -0.096 0.000 1.114 339 I CA -0.399 60.880 61.300 -0.034 0.000 1.418 339 I CB 0.202 38.207 38.000 0.009 0.000 1.394 339 I HN 0.141 nan 8.210 nan 0.000 0.552 340 H N 4.563 123.656 119.070 0.039 0.000 3.092 340 H HA 0.430 7.740 4.556 4.590 0.000 0.263 340 H C 0.267 175.620 175.328 0.041 0.000 1.611 340 H CA -0.092 55.978 56.048 0.038 0.000 1.457 340 H CB 0.143 29.933 29.762 0.047 0.000 1.731 340 H HN 0.690 nan 8.280 nan 0.000 0.532 341 A N 2.262 125.122 122.820 0.066 0.000 2.337 341 A HA 0.744 7.822 4.320 4.596 0.000 0.329 341 A C 0.422 177.999 177.584 -0.011 0.000 1.146 341 A CA -0.268 51.781 52.037 0.020 0.000 0.800 341 A CB 1.085 20.074 19.000 -0.018 0.000 1.220 341 A HN 0.628 nan 8.150 nan 0.000 0.472 342 G N -0.114 108.650 108.800 -0.060 0.000 2.571 342 G HA2 0.700 7.417 3.960 4.596 0.000 0.304 342 G HA3 0.700 7.417 3.960 4.596 0.000 0.304 342 G C -0.544 174.268 174.900 -0.146 0.000 1.314 342 G CA 0.092 45.145 45.100 -0.077 0.000 0.975 342 G HN 1.390 nan 8.290 nan 0.000 0.485 343 A N 0.831 123.586 122.820 -0.109 0.000 2.301 343 A HA 0.742 7.819 4.320 4.596 0.000 0.312 343 A C -1.533 175.977 177.584 -0.124 0.000 1.182 343 A CA -0.631 51.342 52.037 -0.107 0.000 0.826 343 A CB 0.894 19.871 19.000 -0.039 0.000 1.134 343 A HN 0.985 nan 8.150 nan 0.000 0.501 344 Y N 3.309 123.445 120.300 -0.273 0.000 2.333 344 Y HA 0.522 7.832 4.550 4.600 0.000 0.324 344 Y C -0.389 175.438 175.900 -0.122 0.000 1.033 344 Y CA -0.471 57.469 58.100 -0.267 0.000 1.224 344 Y CB 1.116 39.388 38.460 -0.314 0.000 1.120 344 Y HN 1.036 nan 8.280 nan 0.000 0.457 345 H N 2.225 121.201 119.070 -0.157 0.000 2.941 345 H HA 0.771 8.083 4.556 4.594 0.000 0.344 345 H C 0.201 175.418 175.328 -0.185 0.000 1.235 345 H CA -0.658 55.345 56.048 -0.075 0.000 1.149 345 H CB 1.149 30.881 29.762 -0.051 0.000 1.885 345 H HN 0.404 nan 8.280 nan 0.000 0.558 346 A N 0.382 123.281 122.820 0.131 0.000 1.969 346 A HA -0.165 6.912 4.320 4.596 0.000 0.218 346 A C 1.305 178.918 177.584 0.048 0.000 1.169 346 A CA 1.465 53.528 52.037 0.043 0.000 0.635 346 A CB -0.795 18.241 19.000 0.060 0.000 0.810 346 A HN 0.730 nan 8.150 nan 0.000 0.445 347 N N -0.372 118.454 118.700 0.210 0.000 2.512 347 N HA 0.011 7.508 4.740 4.596 0.000 0.183 347 N C 0.243 175.799 175.510 0.077 0.000 1.073 347 N CA 0.101 53.234 53.050 0.138 0.000 0.911 347 N CB -0.576 37.982 38.487 0.120 0.000 0.964 347 N HN 0.376 nan 8.380 nan 0.000 0.447 348 L N 2.303 123.484 121.223 -0.071 0.000 2.525 348 L HA 0.061 7.158 4.340 4.596 0.000 0.278 348 L C 0.866 177.653 176.870 -0.138 0.000 1.218 348 L CA 0.111 54.813 54.840 -0.229 0.000 0.878 348 L CB -0.202 41.526 42.059 -0.551 0.000 1.127 348 L HN 0.271 nan 8.230 nan 0.000 0.492 349 E N 7.044 127.190 120.200 -0.091 0.000 2.480 349 E HA 0.065 7.172 4.350 4.596 0.000 0.258 349 E C -1.854 174.701 176.600 -0.076 0.000 0.984 349 E CA -0.612 55.751 56.400 -0.061 0.000 0.930 349 E CB -0.679 28.997 29.700 -0.039 0.000 0.936 349 E HN 0.663 nan 8.360 nan 0.000 0.466 350 P HA -0.194 nan 4.420 nan 0.000 0.222 350 P C 0.510 177.800 177.300 -0.017 0.000 1.147 350 P CA 1.103 64.178 63.100 -0.042 0.000 0.790 350 P CB 0.432 32.120 31.700 -0.020 0.000 0.780 351 E N 0.495 120.685 120.200 -0.016 0.000 2.085 351 E HA -0.183 6.924 4.350 4.596 0.000 0.194 351 E C 1.608 178.210 176.600 0.003 0.000 0.994 351 E CA 1.585 57.984 56.400 -0.003 0.000 0.801 351 E CB -0.714 28.982 29.700 -0.007 0.000 0.743 351 E HN 0.308 nan 8.360 nan 0.000 0.453 352 D N -0.250 120.137 120.400 -0.023 0.000 2.234 352 D HA -0.052 7.345 4.640 4.596 0.000 0.205 352 D C 2.061 178.350 176.300 -0.019 0.000 0.962 352 D CA 1.602 55.586 54.000 -0.027 0.000 0.855 352 D CB -0.336 40.425 40.800 -0.066 0.000 0.951 352 D HN 0.251 nan 8.370 nan 0.000 0.500 353 K N 0.770 121.136 120.400 -0.057 0.000 2.063 353 K HA -0.138 6.939 4.320 4.596 0.000 0.208 353 K C 2.223 179.002 176.600 0.298 0.000 1.048 353 K CA 1.873 58.167 56.287 0.012 0.000 0.928 353 K CB -1.564 30.882 32.500 -0.091 0.000 0.713 353 K HN 0.219 nan 8.250 nan 0.000 0.442 354 T N 0.224 114.885 114.554 0.178 0.000 2.809 354 T HA -0.102 7.005 4.350 4.596 0.000 0.260 354 T C 2.292 177.097 174.700 0.176 0.000 1.039 354 T CA 1.522 63.731 62.100 0.181 0.000 1.141 354 T CB -0.443 68.479 68.868 0.089 0.000 0.869 354 T HN 0.574 nan 8.240 nan 0.000 0.437 355 T N 2.280 116.905 114.554 0.118 0.000 2.653 355 T HA -0.143 6.964 4.350 4.596 0.000 0.268 355 T C 2.151 176.934 174.700 0.139 0.000 1.035 355 T CA 1.366 63.526 62.100 0.100 0.000 1.154 355 T CB -0.683 68.221 68.868 0.059 0.000 0.862 355 T HN 0.149 nan 8.240 nan 0.000 0.441 356 V N 0.312 120.324 119.914 0.163 0.000 2.307 356 V HA -0.182 6.695 4.120 4.596 0.000 0.245 356 V C 2.176 178.422 176.094 0.254 0.000 1.045 356 V CA 1.973 64.370 62.300 0.162 0.000 1.024 356 V CB -0.704 31.198 31.823 0.132 0.000 0.651 356 V HN 0.606 nan 8.190 nan 0.000 0.449 357 H N 0.222 119.442 119.070 0.251 0.000 2.290 357 H HA -0.207 7.110 4.556 4.603 0.000 0.298 357 H C 2.482 177.974 175.328 0.273 0.000 1.087 357 H CA 2.401 58.644 56.048 0.325 0.000 1.291 357 H CB 0.067 30.003 29.762 0.290 0.000 1.369 357 H HN 0.333 nan 8.280 nan 0.000 0.492 358 R N 0.755 121.457 120.500 0.336 0.000 2.115 358 R HA -0.176 6.922 4.340 4.596 0.000 0.239 358 R C 2.379 178.782 176.300 0.172 0.000 1.133 358 R CA 2.112 58.324 56.100 0.187 0.000 0.935 358 R CB -1.426 28.940 30.300 0.109 0.000 0.853 358 R HN 0.259 nan 8.270 nan 0.000 0.433 359 K N -1.370 119.129 120.400 0.166 0.000 2.147 359 K HA -0.125 6.953 4.320 4.596 0.000 0.205 359 K C 1.707 178.399 176.600 0.153 0.000 1.049 359 K CA 1.204 57.565 56.287 0.124 0.000 0.936 359 K CB -0.667 31.898 32.500 0.108 0.000 0.722 359 K HN 0.817 nan 8.250 nan 0.000 0.446 360 W N 0.588 121.903 121.300 0.026 0.000 2.443 360 W HA 0.032 7.417 4.660 4.542 0.000 0.296 360 W C 2.478 179.006 176.519 0.016 0.000 1.202 360 W CA 1.056 58.392 57.345 -0.016 0.000 1.312 360 W CB -0.521 28.885 29.460 -0.089 0.000 1.120 360 W HN 0.172 nan 8.180 nan 0.000 0.536 361 S N 0.032 115.764 115.700 0.054 0.000 2.383 361 S HA -0.060 7.168 4.470 4.596 0.000 0.227 361 S C 1.791 176.293 174.600 -0.163 0.000 1.026 361 S CA 1.280 59.395 58.200 -0.142 0.000 0.981 361 S CB -0.656 62.622 63.200 0.129 0.000 0.818 361 S HN 0.262 nan 8.310 nan 0.000 0.472 362 A N 1.094 123.875 122.820 -0.065 0.000 2.259 362 A HA 0.217 7.295 4.320 4.596 0.000 0.208 362 A C 0.655 178.184 177.584 -0.091 0.000 1.201 362 A CA 0.241 52.238 52.037 -0.066 0.000 0.824 362 A CB -0.354 18.634 19.000 -0.020 0.000 0.838 362 A HN 0.589 nan 8.150 nan 0.000 0.485 363 N N -1.173 117.440 118.700 -0.144 0.000 2.753 363 N HA -0.173 7.325 4.740 4.596 0.000 0.251 363 N C 0.730 176.187 175.510 -0.088 0.000 1.097 363 N CA 1.235 54.200 53.050 -0.141 0.000 0.786 363 N CB -1.434 36.973 38.487 -0.133 0.000 1.137 363 N HN 0.589 nan 8.380 nan 0.000 0.566 364 E N -0.020 120.147 120.200 -0.055 0.000 2.076 364 E HA 0.104 7.212 4.350 4.596 0.000 0.190 364 E C 1.152 177.721 176.600 -0.050 0.000 0.979 364 E CA 0.583 56.943 56.400 -0.067 0.000 0.807 364 E CB 0.415 30.100 29.700 -0.026 0.000 0.761 364 E HN 0.486 nan 8.360 nan 0.000 0.454 365 I N 1.558 122.163 120.570 0.058 0.000 2.365 365 I HA 0.125 7.052 4.170 4.596 0.000 0.291 365 I C 1.742 177.969 176.117 0.183 0.000 1.004 365 I CA 0.140 61.530 61.300 0.150 0.000 1.311 365 I CB 1.376 39.493 38.000 0.196 0.000 1.401 365 I HN 0.103 nan 8.210 nan 0.000 0.491 366 Q N 4.768 124.689 119.800 0.201 0.000 2.212 366 Q HA 0.077 7.174 4.340 4.596 0.000 0.199 366 Q C -0.394 175.783 176.000 0.295 0.000 0.950 366 Q CA 0.943 56.871 55.803 0.209 0.000 0.863 366 Q CB 0.658 29.530 28.738 0.223 0.000 0.944 366 Q HN 0.557 nan 8.270 nan 0.000 0.465 367 V N 1.134 121.194 119.914 0.244 0.000 2.686 367 V HA 0.316 7.193 4.120 4.596 0.000 0.306 367 V C -0.684 175.301 176.094 -0.183 0.000 1.065 367 V CA -0.937 61.418 62.300 0.091 0.000 0.894 367 V CB 1.942 33.851 31.823 0.144 0.000 1.004 367 V HN -0.110 nan 8.190 nan 0.000 0.424 368 V N 4.592 124.118 119.914 -0.645 0.000 2.406 368 V HA 0.388 7.265 4.120 4.596 0.000 0.272 368 V C 0.040 175.726 176.094 -0.681 0.000 1.043 368 V CA -0.565 61.196 62.300 -0.898 0.000 0.915 368 V CB 1.514 32.250 31.823 -1.811 0.000 0.988 368 V HN 0.610 nan 8.190 nan 0.000 0.466 369 V N 4.984 124.631 119.914 -0.445 0.000 2.318 369 V HA 0.797 7.675 4.120 4.596 0.000 0.271 369 V C 0.420 176.348 176.094 -0.276 0.000 1.030 369 V CA 0.037 62.145 62.300 -0.320 0.000 0.844 369 V CB 0.862 32.563 31.823 -0.204 0.000 1.015 369 V HN 1.068 nan 8.190 nan 0.000 0.460 370 A N 3.756 126.404 122.820 -0.286 0.000 2.556 370 A HA 0.916 7.993 4.320 4.596 0.000 0.294 370 A C 0.005 177.648 177.584 0.098 0.000 1.091 370 A CA -0.349 51.614 52.037 -0.124 0.000 0.704 370 A CB 1.945 20.762 19.000 -0.306 0.000 1.300 370 A HN 0.743 nan 8.150 nan 0.000 0.406 371 T N -1.388 113.295 114.554 0.215 0.000 2.824 371 T HA 0.431 7.538 4.350 4.596 0.000 0.277 371 T C 1.354 176.260 174.700 0.343 0.000 0.975 371 T CA 0.114 62.362 62.100 0.246 0.000 0.966 371 T CB 0.598 69.561 68.868 0.158 0.000 1.054 371 T HN 1.781 nan 8.240 nan 0.000 0.533 372 V N -1.158 118.882 119.914 0.210 0.000 2.794 372 V HA -0.072 6.805 4.120 4.596 0.000 0.260 372 V C 2.698 178.893 176.094 0.168 0.000 1.103 372 V CA 1.652 64.022 62.300 0.117 0.000 1.125 372 V CB -2.163 29.673 31.823 0.021 0.000 0.702 372 V HN 1.027 nan 8.190 nan 0.000 0.494 373 A N -0.434 122.520 122.820 0.224 0.000 2.070 373 A HA 0.027 7.104 4.320 4.596 0.000 0.220 373 A C 1.221 179.025 177.584 0.366 0.000 1.159 373 A CA 0.910 53.103 52.037 0.260 0.000 0.656 373 A CB -0.632 18.525 19.000 0.262 0.000 0.800 373 A HN 0.671 nan 8.150 nan 0.000 0.453 374 F N 0.247 120.305 119.950 0.181 0.000 2.368 374 F HA 0.512 7.794 4.527 4.591 0.000 0.362 374 F C 1.048 176.843 175.800 -0.008 0.000 1.137 374 F CA 0.310 58.211 58.000 -0.165 0.000 1.161 374 F CB 0.555 39.284 39.000 -0.452 0.000 1.265 374 F HN 0.069 nan 8.300 nan 0.000 0.530 375 G N 3.845 112.457 108.800 -0.314 0.000 4.264 375 G HA2 0.197 6.915 3.960 4.596 0.000 0.204 375 G HA3 0.197 6.915 3.960 4.596 0.000 0.204 375 G C 0.272 175.071 174.900 -0.169 0.000 1.003 375 G CA 0.094 45.093 45.100 -0.169 0.000 0.998 375 G HN 0.677 nan 8.290 nan 0.000 0.361 376 M N 1.730 121.268 119.600 -0.105 0.000 2.513 376 M HA 0.548 7.785 4.480 4.596 0.000 0.341 376 M C 1.615 177.874 176.300 -0.067 0.000 1.689 376 M CA 0.840 56.108 55.300 -0.052 0.000 1.202 376 M CB -1.362 31.234 32.600 -0.008 0.000 1.996 376 M HN 2.248 nan 8.290 nan 0.000 0.458 377 G N 2.350 111.123 108.800 -0.045 0.000 2.132 377 G HA2 -0.015 6.703 3.960 4.596 0.000 0.228 377 G HA3 -0.015 6.703 3.960 4.596 0.000 0.228 377 G C -0.032 174.854 174.900 -0.023 0.000 1.000 377 G CA 0.161 45.245 45.100 -0.025 0.000 0.693 377 G HN 1.724 nan 8.290 nan 0.000 0.515 378 I N 2.068 122.596 120.570 -0.071 0.000 2.396 378 I HA 0.432 7.359 4.170 4.596 0.000 0.289 378 I C 0.921 177.059 176.117 0.035 0.000 1.056 378 I CA -0.070 61.208 61.300 -0.036 0.000 1.365 378 I CB 1.024 38.901 38.000 -0.206 0.000 1.407 378 I HN 0.426 nan 8.210 nan 0.000 0.509 379 D N 3.110 123.558 120.400 0.079 0.000 2.582 379 D HA 0.030 7.427 4.640 4.596 0.000 0.246 379 D C 0.557 176.885 176.300 0.046 0.000 1.334 379 D CA -0.461 53.570 54.000 0.053 0.000 0.805 379 D CB 0.044 40.863 40.800 0.032 0.000 1.087 379 D HN 0.496 nan 8.370 nan 0.000 0.499 380 K N 2.167 122.611 120.400 0.075 0.000 2.491 380 K HA 0.022 7.099 4.320 4.596 0.000 0.279 380 K C -1.427 175.143 176.600 -0.050 0.000 1.026 380 K CA -0.615 55.650 56.287 -0.037 0.000 1.070 380 K CB 1.155 33.524 32.500 -0.217 0.000 0.887 380 K HN -0.113 nan 8.250 nan 0.000 0.481 381 P HA -0.028 nan 4.420 nan 0.000 0.228 381 P C -0.381 176.880 177.300 -0.063 0.000 1.166 381 P CA 0.717 63.786 63.100 -0.051 0.000 0.812 381 P CB 0.182 31.857 31.700 -0.043 0.000 0.857 382 D N 0.001 120.335 120.400 -0.109 0.000 2.895 382 D HA 0.092 7.490 4.640 4.596 0.000 0.258 382 D C -0.211 176.010 176.300 -0.131 0.000 1.311 382 D CA -0.791 53.148 54.000 -0.103 0.000 0.843 382 D CB -0.539 40.198 40.800 -0.106 0.000 1.055 382 D HN -0.107 nan 8.370 nan 0.000 0.486 383 V N 1.521 121.370 119.914 -0.109 0.000 2.405 383 V HA 0.145 7.022 4.120 4.596 0.000 0.264 383 V C 1.553 177.593 176.094 -0.091 0.000 1.048 383 V CA -0.393 61.844 62.300 -0.105 0.000 0.966 383 V CB 1.121 32.950 31.823 0.011 0.000 1.015 383 V HN 0.173 nan 8.190 nan 0.000 0.477 384 R N 3.568 124.008 120.500 -0.100 0.000 2.210 384 R HA 0.173 7.271 4.340 4.596 0.000 0.203 384 R C 0.199 176.507 176.300 0.013 0.000 1.010 384 R CA 0.641 56.748 56.100 0.012 0.000 1.008 384 R CB 0.282 30.654 30.300 0.120 0.000 0.923 384 R HN 0.725 nan 8.270 nan 0.000 0.469 385 F N -2.048 117.755 119.950 -0.245 0.000 2.569 385 F HA 0.585 4.650 4.527 -0.770 0.000 0.312 385 F C -0.785 174.954 175.800 -0.103 0.000 1.109 385 F CA -1.455 56.354 58.000 -0.318 0.000 0.919 385 F CB 1.340 39.788 39.000 -0.922 0.000 1.211 385 F HN -0.440 nan 8.300 nan 0.000 0.446 386 V N 5.127 125.097 119.914 0.093 0.000 2.357 386 V HA 0.416 7.293 4.120 4.596 0.000 0.284 386 V C -0.110 176.192 176.094 0.347 0.000 1.018 386 V CA -0.608 61.778 62.300 0.144 0.000 0.841 386 V CB 1.409 33.355 31.823 0.205 0.000 0.991 386 V HN 0.738 nan 8.190 nan 0.000 0.437 387 I N 4.415 125.197 120.570 0.353 0.000 2.336 387 I HA 0.369 7.297 4.170 4.596 0.000 0.292 387 I C -0.342 176.011 176.117 0.392 0.000 0.991 387 I CA -0.558 61.016 61.300 0.457 0.000 1.227 387 I CB 1.158 39.466 38.000 0.513 0.000 1.366 387 I HN 0.593 nan 8.210 nan 0.000 0.466 388 H N 4.977 124.360 119.070 0.521 0.000 2.872 388 H HA 0.122 7.432 4.556 4.590 0.000 0.273 388 H C 1.024 176.731 175.328 0.631 0.000 1.205 388 H CA 0.094 56.468 56.048 0.542 0.000 1.342 388 H CB 0.294 30.358 29.762 0.503 0.000 1.469 388 H HN 0.481 nan 8.280 nan 0.000 0.487 389 H N 2.133 121.518 119.070 0.525 0.000 2.352 389 H HA -0.046 7.262 4.556 4.587 0.000 0.299 389 H C -0.201 175.456 175.328 0.548 0.000 1.097 389 H CA 1.131 57.514 56.048 0.557 0.000 1.311 389 H CB 0.700 30.633 29.762 0.284 0.000 1.377 389 H HN 0.461 nan 8.280 nan 0.000 0.504 390 S N 0.727 116.740 115.700 0.523 0.000 2.599 390 S HA 0.332 7.559 4.470 4.596 0.000 0.294 390 S C 0.029 174.882 174.600 0.422 0.000 1.094 390 S CA -0.928 57.501 58.200 0.383 0.000 0.931 390 S CB 2.439 65.844 63.200 0.342 0.000 1.093 390 S HN 0.403 nan 8.310 nan 0.000 0.488 391 M N 0.936 120.704 119.600 0.279 0.000 2.252 391 M HA 0.319 7.557 4.480 4.596 0.000 0.321 391 M C -0.062 176.371 176.300 0.222 0.000 1.070 391 M CA 0.180 55.587 55.300 0.178 0.000 1.143 391 M CB -0.118 32.523 32.600 0.067 0.000 1.498 391 M HN 0.421 nan 8.290 nan 0.000 0.445 392 S N 1.344 117.125 115.700 0.136 0.000 2.617 392 S HA 0.165 7.393 4.470 4.596 0.000 0.259 392 S C 0.894 175.550 174.600 0.093 0.000 1.301 392 S CA -0.731 57.556 58.200 0.144 0.000 0.984 392 S CB 0.877 64.127 63.200 0.083 0.000 0.954 392 S HN 0.709 nan 8.310 nan 0.000 0.572 393 K N 0.508 120.962 120.400 0.090 0.000 2.296 393 K HA 0.035 7.113 4.320 4.596 0.000 0.200 393 K C 0.471 177.078 176.600 0.012 0.000 1.048 393 K CA 0.639 56.965 56.287 0.065 0.000 0.966 393 K CB -0.002 32.537 32.500 0.065 0.000 0.754 393 K HN 0.651 nan 8.250 nan 0.000 0.466 394 S N -1.568 114.123 115.700 -0.016 0.000 2.567 394 S HA 0.254 7.481 4.470 4.596 0.000 0.270 394 S C 0.547 175.078 174.600 -0.114 0.000 1.152 394 S CA -0.919 57.246 58.200 -0.058 0.000 0.835 394 S CB 1.037 64.220 63.200 -0.030 0.000 1.115 394 S HN -0.194 nan 8.310 nan 0.000 0.459 395 M N 1.023 120.475 119.600 -0.246 0.000 2.202 395 M HA -0.092 7.145 4.480 4.596 0.000 0.262 395 M C 1.537 177.744 176.300 -0.155 0.000 1.063 395 M CA 1.807 56.889 55.300 -0.363 0.000 1.097 395 M CB -1.635 30.447 32.600 -0.864 0.000 1.382 395 M HN 0.839 nan 8.290 nan 0.000 0.413 396 E N 0.396 120.529 120.200 -0.113 0.000 2.072 396 E HA -0.125 6.982 4.350 4.596 0.000 0.191 396 E C 1.763 178.409 176.600 0.077 0.000 0.985 396 E CA 1.017 57.413 56.400 -0.007 0.000 0.801 396 E CB -0.307 29.367 29.700 -0.043 0.000 0.750 396 E HN 0.427 nan 8.360 nan 0.000 0.452 397 N N -0.397 118.317 118.700 0.023 0.000 2.188 397 N HA -0.146 7.352 4.740 4.596 0.000 0.184 397 N C 1.465 176.974 175.510 -0.002 0.000 1.018 397 N CA 0.812 53.871 53.050 0.014 0.000 0.858 397 N CB -0.337 38.156 38.487 0.010 0.000 0.989 397 N HN 0.275 nan 8.380 nan 0.000 0.426 398 Y N 0.028 120.250 120.300 -0.130 0.000 2.114 398 Y HA -0.310 6.992 4.550 4.586 0.000 0.284 398 Y C 2.440 178.280 175.900 -0.100 0.000 1.143 398 Y CA 1.504 59.467 58.100 -0.228 0.000 1.135 398 Y CB -0.536 37.700 38.460 -0.373 0.000 0.980 398 Y HN 0.103 nan 8.280 nan 0.000 0.499 399 Y N 1.183 121.344 120.300 -0.232 0.000 2.102 399 Y HA -0.416 6.898 4.550 4.607 0.000 0.280 399 Y C 2.701 178.538 175.900 -0.104 0.000 1.178 399 Y CA 2.506 60.520 58.100 -0.143 0.000 1.146 399 Y CB -0.533 38.027 38.460 0.166 0.000 0.968 399 Y HN 0.316 nan 8.280 nan 0.000 0.504 400 Q N -0.315 119.424 119.800 -0.102 0.000 2.123 400 Q HA -0.178 6.920 4.340 4.596 0.000 0.199 400 Q C 2.019 177.909 176.000 -0.184 0.000 0.966 400 Q CA 1.591 57.312 55.803 -0.136 0.000 0.845 400 Q CB 0.010 28.763 28.738 0.026 0.000 0.907 400 Q HN 0.646 nan 8.270 nan 0.000 0.439 401 E N -0.308 119.774 120.200 -0.196 0.000 2.076 401 E HA -0.116 6.991 4.350 4.596 0.000 0.190 401 E C 2.007 178.617 176.600 0.015 0.000 0.979 401 E CA 1.286 57.584 56.400 -0.171 0.000 0.807 401 E CB 0.148 29.697 29.700 -0.251 0.000 0.761 401 E HN 0.338 nan 8.360 nan 0.000 0.454 402 S N -0.187 115.408 115.700 -0.174 0.000 2.461 402 S HA -0.012 7.215 4.470 4.596 0.000 0.228 402 S C 2.057 176.592 174.600 -0.109 0.000 1.005 402 S CA 0.654 58.787 58.200 -0.110 0.000 0.942 402 S CB -0.031 62.915 63.200 -0.424 0.000 0.776 402 S HN 0.258 nan 8.310 nan 0.000 0.514 403 G N 1.707 110.352 108.800 -0.258 0.000 2.598 403 G HA2 -0.037 6.681 3.960 4.596 0.000 0.215 403 G HA3 -0.037 6.681 3.960 4.596 0.000 0.215 403 G C 1.552 176.379 174.900 -0.122 0.000 1.131 403 G CA -0.163 44.763 45.100 -0.290 0.000 0.785 403 G HN 0.535 nan 8.290 nan 0.000 0.539 404 R N 0.387 120.864 120.500 -0.039 0.000 2.280 404 R HA 0.183 7.280 4.340 4.596 0.000 0.207 404 R C 1.251 177.577 176.300 0.043 0.000 1.043 404 R CA 0.413 56.534 56.100 0.034 0.000 1.006 404 R CB -0.099 30.268 30.300 0.113 0.000 0.885 404 R HN 0.296 nan 8.270 nan 0.000 0.467 405 A N 0.932 123.761 122.820 0.016 0.000 2.401 405 A HA 0.456 7.533 4.320 4.596 0.000 0.259 405 A C 0.958 178.533 177.584 -0.015 0.000 1.103 405 A CA 0.370 52.407 52.037 -0.000 0.000 0.789 405 A CB 0.186 19.186 19.000 -0.000 0.000 1.035 405 A HN 0.415 nan 8.150 nan 0.000 0.491 406 G N 1.633 110.425 108.800 -0.013 0.000 2.314 406 G HA2 -0.214 6.503 3.960 4.596 0.000 0.292 406 G HA3 -0.214 6.503 3.960 4.596 0.000 0.292 406 G C 0.678 175.572 174.900 -0.009 0.000 1.059 406 G CA 0.343 45.437 45.100 -0.010 0.000 0.982 406 G HN 0.681 nan 8.290 nan 0.000 0.505 407 R N 0.082 120.576 120.500 -0.009 0.000 2.313 407 R HA 0.044 7.142 4.340 4.596 0.000 0.199 407 R C 1.794 178.090 176.300 -0.006 0.000 0.958 407 R CA 1.243 57.340 56.100 -0.004 0.000 1.047 407 R CB -0.030 30.270 30.300 0.000 0.000 0.955 407 R HN 0.736 nan 8.270 nan 0.000 0.481 408 D N -1.287 119.107 120.400 -0.010 0.000 2.339 408 D HA -0.019 7.378 4.640 4.596 0.000 0.217 408 D C -0.066 176.234 176.300 -0.001 0.000 1.050 408 D CA -0.095 53.900 54.000 -0.009 0.000 0.856 408 D CB 0.201 40.992 40.800 -0.016 0.000 0.922 408 D HN -0.131 nan 8.370 nan 0.000 0.518 409 D N -1.220 119.182 120.400 0.003 0.000 2.911 409 D HA -0.171 7.226 4.640 4.596 0.000 0.199 409 D C -0.037 176.271 176.300 0.014 0.000 1.041 409 D CA 0.696 54.702 54.000 0.009 0.000 1.013 409 D CB -1.340 39.466 40.800 0.011 0.000 1.093 409 D HN 0.393 nan 8.370 nan 0.000 0.431 410 M N 0.194 119.802 119.600 0.013 0.000 2.291 410 M HA 0.123 7.360 4.480 4.596 0.000 0.324 410 M C 0.871 177.188 176.300 0.029 0.000 1.148 410 M CA -0.323 54.989 55.300 0.020 0.000 1.104 410 M CB 0.988 33.599 32.600 0.018 0.000 1.483 410 M HN -0.337 nan 8.290 nan 0.000 0.467 411 K N 1.132 121.557 120.400 0.040 0.000 2.524 411 K HA 0.374 7.451 4.320 4.596 0.000 0.279 411 K C -0.256 176.382 176.600 0.064 0.000 0.993 411 K CA -0.025 56.296 56.287 0.056 0.000 1.030 411 K CB -0.216 32.321 32.500 0.063 0.000 0.891 411 K HN 0.734 nan 8.250 nan 0.000 0.488 412 A N 2.441 125.301 122.820 0.066 0.000 2.587 412 A HA 0.615 7.692 4.320 4.596 0.000 0.293 412 A C -1.479 176.168 177.584 0.105 0.000 1.087 412 A CA -0.873 51.208 52.037 0.073 0.000 0.692 412 A CB 1.471 20.487 19.000 0.027 0.000 1.291 412 A HN 0.662 nan 8.150 nan 0.000 0.407 413 D N 0.248 120.735 120.400 0.145 0.000 2.192 413 D HA 0.541 7.938 4.640 4.596 0.000 0.246 413 D C -1.020 175.410 176.300 0.217 0.000 1.042 413 D CA 0.081 54.224 54.000 0.238 0.000 0.847 413 D CB 1.526 42.536 40.800 0.349 0.000 1.186 413 D HN 0.465 nan 8.370 nan 0.000 0.461 414 C N 3.596 123.045 119.300 0.249 0.000 2.362 414 C HA 0.499 7.716 4.460 4.596 0.000 0.309 414 C C 0.163 175.418 174.990 0.441 0.000 1.110 414 C CA -0.799 58.418 59.018 0.332 0.000 1.485 414 C CB -1.016 26.899 27.740 0.292 0.000 1.949 414 C HN 0.394 nan 8.230 nan 0.000 0.419 415 I N 3.842 124.665 120.570 0.421 0.000 2.382 415 I HA 0.378 7.305 4.170 4.596 0.000 0.286 415 I C -0.326 175.950 176.117 0.265 0.000 1.002 415 I CA -0.300 61.174 61.300 0.290 0.000 1.135 415 I CB 1.182 39.312 38.000 0.217 0.000 1.288 415 I HN 0.501 nan 8.210 nan 0.000 0.448 416 L N 7.211 128.531 121.223 0.162 0.000 2.272 416 L HA 0.454 7.551 4.340 4.596 0.000 0.289 416 L C -1.165 175.709 176.870 0.006 0.000 1.032 416 L CA -0.547 54.396 54.840 0.171 0.000 0.810 416 L CB 0.882 42.944 42.059 0.006 0.000 1.205 416 L HN 0.446 nan 8.230 nan 0.000 0.422 417 Y N 4.773 125.245 120.300 0.287 0.000 2.477 417 Y HA 0.129 7.423 4.550 4.574 0.000 0.349 417 Y C -0.350 175.627 175.900 0.128 0.000 0.977 417 Y CA -0.128 58.067 58.100 0.159 0.000 1.214 417 Y CB 0.451 38.975 38.460 0.107 0.000 1.124 417 Y HN 0.440 nan 8.280 nan 0.000 0.521 418 Y N 3.537 123.880 120.300 0.071 0.000 2.404 418 Y HA 0.578 7.883 4.550 4.591 0.000 0.344 418 Y C 0.051 175.948 175.900 -0.004 0.000 0.995 418 Y CA -1.581 56.529 58.100 0.017 0.000 1.201 418 Y CB 0.747 39.200 38.460 -0.013 0.000 1.151 418 Y HN 0.632 nan 8.280 nan 0.000 0.517 419 G N 6.039 114.792 108.800 -0.079 0.000 2.626 419 G HA2 0.223 6.941 3.960 4.596 0.000 0.304 419 G HA3 0.223 6.941 3.960 4.596 0.000 0.304 419 G C 0.017 174.810 174.900 -0.179 0.000 1.385 419 G CA -0.636 44.336 45.100 -0.213 0.000 0.957 419 G HN 0.794 nan 8.290 nan 0.000 0.504 420 F N 3.159 122.876 119.950 -0.389 0.000 2.079 420 F HA -0.255 7.028 4.527 4.594 0.000 0.296 420 F C 2.364 178.146 175.800 -0.030 0.000 1.084 420 F CA 2.955 60.842 58.000 -0.189 0.000 1.236 420 F CB -0.193 38.747 39.000 -0.100 0.000 0.984 420 F HN 0.470 nan 8.300 nan 0.000 0.488 421 G N -0.899 107.937 108.800 0.060 0.000 2.470 421 G HA2 -0.250 6.467 3.960 4.596 0.000 0.220 421 G HA3 -0.250 6.467 3.960 4.596 0.000 0.220 421 G C 1.350 176.189 174.900 -0.101 0.000 1.121 421 G CA 0.991 46.112 45.100 0.034 0.000 0.766 421 G HN 0.387 nan 8.290 nan 0.000 0.553 422 D N 0.593 120.899 120.400 -0.156 0.000 2.224 422 D HA -0.033 7.364 4.640 4.596 0.000 0.205 422 D C 2.589 178.719 176.300 -0.282 0.000 0.965 422 D CA 0.131 54.007 54.000 -0.207 0.000 0.852 422 D CB -0.034 40.709 40.800 -0.095 0.000 0.947 422 D HN 0.360 nan 8.370 nan 0.000 0.494 423 I N 0.275 120.602 120.570 -0.405 0.000 2.113 423 I HA -0.331 6.597 4.170 4.596 0.000 0.242 423 I C 2.064 177.820 176.117 -0.602 0.000 1.064 423 I CA 1.452 62.384 61.300 -0.613 0.000 1.320 423 I CB -0.457 36.847 38.000 -1.159 0.000 1.028 423 I HN -0.039 nan 8.210 nan 0.000 0.406 424 F N 0.360 120.196 119.950 -0.189 0.000 2.335 424 F HA 0.025 7.311 4.527 4.597 0.000 0.296 424 F C 2.669 178.398 175.800 -0.118 0.000 1.091 424 F CA 0.457 58.370 58.000 -0.145 0.000 1.399 424 F CB -0.382 38.493 39.000 -0.208 0.000 1.067 424 F HN -0.140 nan 8.300 nan 0.000 0.520 425 R N 0.556 120.996 120.500 -0.099 0.000 2.081 425 R HA -0.109 6.989 4.340 4.596 0.000 0.235 425 R C 2.097 178.296 176.300 -0.170 0.000 1.131 425 R CA 1.551 57.511 56.100 -0.233 0.000 0.960 425 R CB -0.664 29.259 30.300 -0.629 0.000 0.856 425 R HN 0.353 nan 8.270 nan 0.000 0.436 426 I N -0.052 120.407 120.570 -0.185 0.000 2.277 426 I HA -0.190 6.737 4.170 4.596 0.000 0.243 426 I C 2.540 178.730 176.117 0.122 0.000 1.094 426 I CA 0.792 62.152 61.300 0.100 0.000 1.393 426 I CB -0.303 37.745 38.000 0.080 0.000 1.078 426 I HN 0.076 nan 8.210 nan 0.000 0.417 427 S N 0.433 116.184 115.700 0.085 0.000 2.359 427 S HA -0.217 7.010 4.470 4.596 0.000 0.223 427 S C 2.273 177.007 174.600 0.223 0.000 1.039 427 S CA 2.150 60.456 58.200 0.177 0.000 1.042 427 S CB -0.175 63.185 63.200 0.267 0.000 0.915 427 S HN 0.383 nan 8.310 nan 0.000 0.439 428 S N 0.707 116.556 115.700 0.249 0.000 2.383 428 S HA -0.111 7.116 4.470 4.596 0.000 0.229 428 S C 1.812 176.433 174.600 0.035 0.000 1.030 428 S CA 1.562 59.857 58.200 0.158 0.000 1.002 428 S CB -0.334 62.942 63.200 0.126 0.000 0.829 428 S HN 0.412 nan 8.310 nan 0.000 0.467 429 M N 1.428 121.101 119.600 0.121 0.000 2.229 429 M HA 0.008 7.245 4.480 4.596 0.000 0.264 429 M C 1.450 177.786 176.300 0.060 0.000 1.063 429 M CA 0.925 56.303 55.300 0.131 0.000 1.114 429 M CB -0.175 32.595 32.600 0.283 0.000 1.387 429 M HN 0.255 nan 8.290 nan 0.000 0.420 430 V N -3.054 116.881 119.914 0.036 0.000 3.177 430 V HA 0.188 7.065 4.120 4.596 0.000 0.342 430 V C 1.485 177.537 176.094 -0.071 0.000 1.379 430 V CA 0.104 62.402 62.300 -0.003 0.000 1.191 430 V CB -1.115 30.715 31.823 0.011 0.000 1.167 430 V HN 0.185 nan 8.190 nan 0.000 0.471 431 V N 1.175 121.006 119.914 -0.139 0.000 2.343 431 V HA -0.181 6.696 4.120 4.596 0.000 0.247 431 V C 2.292 178.311 176.094 -0.125 0.000 1.051 431 V CA 2.464 64.590 62.300 -0.289 0.000 1.036 431 V CB -0.111 31.397 31.823 -0.526 0.000 0.654 431 V HN 0.574 nan 8.190 nan 0.000 0.451 432 M N -0.047 119.531 119.600 -0.035 0.000 2.686 432 M HA 0.110 7.347 4.480 4.596 0.000 0.246 432 M C 0.623 176.906 176.300 -0.029 0.000 1.096 432 M CA 0.571 55.862 55.300 -0.014 0.000 1.076 432 M CB -1.074 31.532 32.600 0.012 0.000 1.504 432 M HN 0.474 nan 8.290 nan 0.000 0.524 433 E N 0.410 120.586 120.200 -0.040 0.000 2.200 433 E HA 0.255 7.362 4.350 4.596 0.000 0.283 433 E C 1.255 177.827 176.600 -0.047 0.000 1.015 433 E CA 0.252 56.630 56.400 -0.036 0.000 0.819 433 E CB 0.531 30.213 29.700 -0.030 0.000 1.081 433 E HN 0.390 nan 8.360 nan 0.000 0.397 434 N N 2.329 121.004 118.700 -0.041 0.000 2.096 434 N HA -0.220 7.278 4.740 4.596 0.000 0.198 434 N C 1.583 177.061 175.510 -0.054 0.000 1.017 434 N CA 2.749 55.771 53.050 -0.046 0.000 0.889 434 N CB -0.957 37.504 38.487 -0.044 0.000 1.081 434 N HN 0.337 nan 8.380 nan 0.000 0.549 435 V N -3.172 116.709 119.914 -0.055 0.000 3.099 435 V HA 0.654 7.532 4.120 4.596 0.000 0.356 435 V C 2.006 178.054 176.094 -0.076 0.000 1.364 435 V CA 0.418 62.677 62.300 -0.067 0.000 1.229 435 V CB -0.336 31.451 31.823 -0.060 0.000 1.227 435 V HN 0.642 nan 8.190 nan 0.000 0.493 436 G N 0.809 109.566 108.800 -0.072 0.000 2.491 436 G HA2 -0.337 6.380 3.960 4.596 0.000 0.218 436 G HA3 -0.337 6.380 3.960 4.596 0.000 0.218 436 G C 1.292 176.126 174.900 -0.109 0.000 1.180 436 G CA 1.402 46.460 45.100 -0.069 0.000 0.774 436 G HN 0.577 nan 8.290 nan 0.000 0.562 437 Q N -0.432 119.268 119.800 -0.167 0.000 2.050 437 Q HA -0.169 6.929 4.340 4.596 0.000 0.202 437 Q C 2.588 178.298 176.000 -0.483 0.000 0.980 437 Q CA 1.688 57.290 55.803 -0.336 0.000 0.840 437 Q CB -0.252 28.281 28.738 -0.342 0.000 0.898 437 Q HN 0.671 nan 8.270 nan 0.000 0.424 438 Q N 0.019 119.636 119.800 -0.305 0.000 2.181 438 Q HA -0.196 6.901 4.340 4.596 0.000 0.205 438 Q C 1.689 177.638 176.000 -0.085 0.000 0.980 438 Q CA 1.389 57.076 55.803 -0.194 0.000 0.862 438 Q CB 0.164 28.836 28.738 -0.110 0.000 0.905 438 Q HN 0.289 nan 8.270 nan 0.000 0.429 439 K N -0.133 120.221 120.400 -0.076 0.000 2.076 439 K HA -0.107 6.971 4.320 4.596 0.000 0.204 439 K C 2.092 178.687 176.600 -0.008 0.000 1.051 439 K CA 0.637 56.911 56.287 -0.021 0.000 0.949 439 K CB -0.099 32.386 32.500 -0.025 0.000 0.726 439 K HN 0.130 nan 8.250 nan 0.000 0.443 440 L N 0.861 122.073 121.223 -0.018 0.000 2.012 440 L HA -0.216 6.881 4.340 4.596 0.000 0.210 440 L C 1.936 178.901 176.870 0.158 0.000 1.073 440 L CA 1.748 56.614 54.840 0.044 0.000 0.748 440 L CB -0.556 41.533 42.059 0.050 0.000 0.891 440 L HN 0.244 nan 8.230 nan 0.000 0.431 441 Y N -0.591 119.680 120.300 -0.047 0.000 2.293 441 Y HA -0.228 7.078 4.550 4.594 0.000 0.291 441 Y C 2.486 178.352 175.900 -0.056 0.000 1.137 441 Y CA 0.697 58.767 58.100 -0.050 0.000 1.202 441 Y CB -0.048 38.397 38.460 -0.026 0.000 0.990 441 Y HN 0.367 nan 8.280 nan 0.000 0.537 442 E N 0.044 120.311 120.200 0.112 0.000 2.077 442 E HA -0.262 6.846 4.350 4.596 0.000 0.193 442 E C 2.042 178.597 176.600 -0.075 0.000 0.989 442 E CA 1.397 57.821 56.400 0.040 0.000 0.800 442 E CB -0.134 29.636 29.700 0.117 0.000 0.746 442 E HN 0.329 nan 8.360 nan 0.000 0.452 443 M N 0.324 119.860 119.600 -0.108 0.000 2.117 443 M HA -0.132 7.106 4.480 4.596 0.000 0.262 443 M C 1.982 178.187 176.300 -0.158 0.000 1.065 443 M CA 1.270 56.465 55.300 -0.175 0.000 1.114 443 M CB 0.024 32.529 32.600 -0.159 0.000 1.361 443 M HN -0.052 nan 8.290 nan 0.000 0.408 444 V N -0.747 119.088 119.914 -0.132 0.000 2.343 444 V HA -0.230 6.647 4.120 4.596 0.000 0.247 444 V C 2.481 178.424 176.094 -0.251 0.000 1.051 444 V CA 2.038 64.196 62.300 -0.236 0.000 1.036 444 V CB -1.043 30.692 31.823 -0.147 0.000 0.654 444 V HN 0.682 nan 8.190 nan 0.000 0.451 445 S N -1.425 114.202 115.700 -0.122 0.000 2.423 445 S HA -0.217 7.011 4.470 4.596 0.000 0.231 445 S C 1.914 176.453 174.600 -0.102 0.000 1.014 445 S CA 1.544 59.692 58.200 -0.087 0.000 0.965 445 S CB -0.383 62.800 63.200 -0.027 0.000 0.785 445 S HN 0.709 nan 8.310 nan 0.000 0.495 446 Y N 1.232 121.378 120.300 -0.256 0.000 2.133 446 Y HA -0.127 7.176 4.550 4.588 0.000 0.287 446 Y C 2.552 178.260 175.900 -0.320 0.000 1.134 446 Y CA 1.762 59.695 58.100 -0.278 0.000 1.133 446 Y CB -0.916 37.348 38.460 -0.328 0.000 0.987 446 Y HN 0.360 nan 8.280 nan 0.000 0.502 447 C N 1.128 120.227 119.300 -0.335 0.000 2.410 447 C HA -0.188 7.030 4.460 4.596 0.000 0.281 447 C C 2.453 177.136 174.990 -0.511 0.000 1.318 447 C CA 1.211 59.880 59.018 -0.582 0.000 1.776 447 C CB -1.061 26.044 27.740 -1.057 0.000 1.942 447 C HN 0.629 nan 8.230 nan 0.000 0.508 448 Q N 0.312 119.878 119.800 -0.389 0.000 2.389 448 Q HA 0.047 7.145 4.340 4.596 0.000 0.204 448 Q C 0.663 176.573 176.000 -0.149 0.000 0.944 448 Q CA 0.273 55.980 55.803 -0.160 0.000 0.908 448 Q CB -0.327 28.370 28.738 -0.069 0.000 1.002 448 Q HN 0.655 nan 8.270 nan 0.000 0.493 449 N N 1.408 119.971 118.700 -0.229 0.000 2.497 449 N HA 0.043 7.540 4.740 4.596 0.000 0.271 449 N C 0.729 176.096 175.510 -0.238 0.000 1.142 449 N CA 0.160 53.072 53.050 -0.230 0.000 0.965 449 N CB 0.827 39.167 38.487 -0.245 0.000 1.077 449 N HN 0.196 nan 8.380 nan 0.000 0.462 450 I N 0.155 120.577 120.570 -0.247 0.000 4.403 450 I HA 0.160 7.087 4.170 4.596 0.000 0.331 450 I C 1.228 177.113 176.117 -0.386 0.000 1.327 450 I CA -0.163 61.012 61.300 -0.208 0.000 1.175 450 I CB 0.252 38.204 38.000 -0.080 0.000 1.165 450 I HN 0.341 nan 8.210 nan 0.000 0.413 451 S N 0.367 115.692 115.700 -0.626 0.000 2.517 451 S HA 0.279 7.506 4.470 4.596 0.000 0.228 451 S C 0.973 175.433 174.600 -0.234 0.000 1.060 451 S CA -0.125 57.662 58.200 -0.688 0.000 0.937 451 S CB -0.244 62.362 63.200 -0.991 0.000 0.840 451 S HN 0.104 nan 8.310 nan 0.000 0.546 452 K N 1.732 122.013 120.400 -0.198 0.000 2.382 452 K HA 0.174 7.251 4.320 4.596 0.000 0.275 452 K C 0.074 176.643 176.600 -0.053 0.000 1.009 452 K CA -0.155 56.078 56.287 -0.090 0.000 0.970 452 K CB 0.717 33.168 32.500 -0.081 0.000 0.934 452 K HN 0.497 nan 8.250 nan 0.000 0.479 453 C N 4.368 123.681 119.300 0.022 0.000 2.596 453 C HA 0.025 7.242 4.460 4.596 0.000 0.414 453 C C 1.967 176.976 174.990 0.031 0.000 1.396 453 C CA -0.407 58.650 59.018 0.065 0.000 1.698 453 C CB -0.339 27.497 27.740 0.160 0.000 2.572 453 C HN 0.718 nan 8.230 nan 0.000 0.604 454 R N 3.571 124.090 120.500 0.032 0.000 2.096 454 R HA -0.082 7.016 4.340 4.596 0.000 0.235 454 R C 2.289 178.616 176.300 0.046 0.000 1.127 454 R CA 1.626 57.752 56.100 0.042 0.000 0.968 454 R CB -0.412 29.942 30.300 0.089 0.000 0.861 454 R HN 0.777 nan 8.270 nan 0.000 0.440 455 R N 0.091 120.627 120.500 0.061 0.000 2.092 455 R HA -0.038 7.059 4.340 4.596 0.000 0.231 455 R C 2.332 178.447 176.300 -0.308 0.000 1.119 455 R CA 1.059 57.131 56.100 -0.048 0.000 0.970 455 R CB -0.371 29.949 30.300 0.033 0.000 0.864 455 R HN -0.014 nan 8.270 nan 0.000 0.440 456 V N 1.490 121.319 119.914 -0.142 0.000 2.407 456 V HA -0.233 6.644 4.120 4.596 0.000 0.248 456 V C 2.211 178.238 176.094 -0.112 0.000 1.055 456 V CA 1.644 63.876 62.300 -0.114 0.000 1.049 456 V CB -0.342 31.542 31.823 0.102 0.000 0.662 456 V HN 0.293 nan 8.190 nan 0.000 0.455 457 L N -1.665 119.516 121.223 -0.071 0.000 2.072 457 L HA -0.157 6.941 4.340 4.596 0.000 0.205 457 L C 2.478 179.279 176.870 -0.114 0.000 1.079 457 L CA 1.506 56.322 54.840 -0.040 0.000 0.752 457 L CB -0.420 41.668 42.059 0.049 0.000 0.906 457 L HN 0.282 nan 8.230 nan 0.000 0.436 458 M N -0.346 119.132 119.600 -0.203 0.000 2.080 458 M HA -0.214 7.023 4.480 4.596 0.000 0.260 458 M C 2.472 178.496 176.300 -0.460 0.000 1.068 458 M CA 2.097 57.177 55.300 -0.367 0.000 1.109 458 M CB -0.368 31.943 32.600 -0.482 0.000 1.342 458 M HN 0.313 nan 8.290 nan 0.000 0.405 459 A N -0.522 121.937 122.820 -0.602 0.000 1.978 459 A HA -0.240 6.837 4.320 4.596 0.000 0.220 459 A C 1.923 179.428 177.584 -0.133 0.000 1.170 459 A CA 1.675 53.468 52.037 -0.405 0.000 0.636 459 A CB -0.733 18.087 19.000 -0.299 0.000 0.810 459 A HN 0.607 nan 8.150 nan 0.000 0.448 460 Q N -1.716 118.021 119.800 -0.105 0.000 2.224 460 Q HA -0.159 6.938 4.340 4.596 0.000 0.203 460 Q C 1.973 177.930 176.000 -0.071 0.000 0.970 460 Q CA 1.233 57.010 55.803 -0.042 0.000 0.865 460 Q CB -0.163 28.567 28.738 -0.014 0.000 0.922 460 Q HN 0.841 nan 8.270 nan 0.000 0.445 461 H N -1.380 117.536 119.070 -0.258 0.000 2.415 461 H HA -0.000 7.315 4.556 4.598 0.000 0.297 461 H C 1.043 176.072 175.328 -0.498 0.000 1.048 461 H CA 0.850 56.659 56.048 -0.399 0.000 1.365 461 H CB 0.356 29.782 29.762 -0.560 0.000 1.421 461 H HN 0.240 nan 8.280 nan 0.000 0.533 462 F N 0.905 120.719 119.950 -0.227 0.000 2.789 462 F HA 0.029 7.311 4.527 4.593 0.000 0.300 462 F C 0.447 176.169 175.800 -0.130 0.000 1.132 462 F CA 0.320 58.188 58.000 -0.220 0.000 1.404 462 F CB 0.316 39.117 39.000 -0.331 0.000 1.114 462 F HN 0.018 nan 8.300 nan 0.000 0.584 463 D N 1.106 121.518 120.400 0.020 0.000 2.746 463 D HA -0.228 7.170 4.640 4.596 0.000 0.236 463 D C 0.155 176.510 176.300 0.092 0.000 1.129 463 D CA 0.609 54.627 54.000 0.031 0.000 0.691 463 D CB -1.240 39.560 40.800 0.001 0.000 1.077 463 D HN 0.508 nan 8.370 nan 0.000 0.432 464 E N -0.510 119.772 120.200 0.137 0.000 2.214 464 E HA 0.493 7.600 4.350 4.596 0.000 0.274 464 E C 1.581 178.324 176.600 0.239 0.000 0.977 464 E CA -0.038 56.484 56.400 0.203 0.000 0.827 464 E CB 1.962 31.839 29.700 0.294 0.000 1.130 464 E HN 0.010 nan 8.360 nan 0.000 0.394 465 V N 5.988 126.042 119.914 0.233 0.000 2.295 465 V HA -0.133 6.744 4.120 4.596 0.000 0.246 465 V C 1.183 177.481 176.094 0.340 0.000 1.049 465 V CA 1.972 64.404 62.300 0.220 0.000 1.024 465 V CB -0.983 30.931 31.823 0.152 0.000 0.648 465 V HN 1.008 nan 8.190 nan 0.000 0.447 471 C N 1.621 121.037 119.300 0.193 0.000 2.505 471 C HA 0.131 7.348 4.460 4.596 0.000 0.279 471 C C 1.058 176.157 174.990 0.181 0.000 1.316 471 C CA 1.269 60.458 59.018 0.284 0.000 1.720 471 C CB -0.964 26.960 27.740 0.307 0.000 2.050 471 C HN 0.940 nan 8.230 nan 0.000 0.493 472 N N 1.091 119.870 118.700 0.132 0.000 2.708 472 N HA -0.132 7.366 4.740 4.596 0.000 0.255 472 N C -0.481 175.107 175.510 0.130 0.000 1.046 472 N CA 1.128 54.241 53.050 0.106 0.000 0.715 472 N CB -1.256 37.281 38.487 0.083 0.000 0.895 472 N HN 0.666 nan 8.380 nan 0.000 0.545 473 K N -1.630 118.856 120.400 0.143 0.000 3.156 473 K HA -0.202 6.876 4.320 4.596 0.000 0.266 473 K C 0.369 177.109 176.600 0.233 0.000 0.966 473 K CA 0.771 57.160 56.287 0.170 0.000 0.719 473 K CB -1.199 31.389 32.500 0.147 0.000 1.333 473 K HN 0.513 nan 8.250 nan 0.000 0.468 474 M N -0.652 119.075 119.600 0.212 0.000 2.778 474 M HA 0.099 7.337 4.480 4.596 0.000 0.359 474 M C 0.215 176.487 176.300 -0.046 0.000 1.216 474 M CA -0.250 55.190 55.300 0.234 0.000 0.935 474 M CB -0.113 32.607 32.600 0.199 0.000 1.330 474 M HN 0.438 nan 8.290 nan 0.000 0.516 475 C N -2.168 117.043 119.300 -0.148 0.000 3.239 475 C HA 0.533 7.750 4.460 4.596 0.000 0.317 475 C C 1.288 176.144 174.990 -0.224 0.000 1.310 475 C CA -0.770 58.004 59.018 -0.407 0.000 1.371 475 C CB 1.455 29.172 27.740 -0.038 0.000 1.714 475 C HN 0.607 nan 8.230 nan 0.000 0.473 476 D N 1.990 122.263 120.400 -0.213 0.000 2.149 476 D HA -0.195 7.202 4.640 4.596 0.000 0.198 476 D C 1.082 177.434 176.300 0.086 0.000 0.990 476 D CA 1.990 56.038 54.000 0.079 0.000 0.839 476 D CB -0.485 40.369 40.800 0.090 0.000 0.948 476 D HN 0.634 nan 8.370 nan 0.000 0.460 477 N N -0.516 118.204 118.700 0.034 0.000 2.409 477 N HA -0.027 7.471 4.740 4.596 0.000 0.179 477 N C 1.491 177.063 175.510 0.105 0.000 1.032 477 N CA 0.434 53.521 53.050 0.063 0.000 0.898 477 N CB -0.451 38.032 38.487 -0.007 0.000 0.971 477 N HN 0.311 nan 8.380 nan 0.000 0.441 478 C N -0.424 118.938 119.300 0.103 0.000 2.464 478 C HA 0.072 7.289 4.460 4.596 0.000 0.278 478 C C 2.560 177.629 174.990 0.133 0.000 1.375 478 C CA -0.054 59.039 59.018 0.124 0.000 1.761 478 C CB -0.889 26.931 27.740 0.134 0.000 1.944 478 C HN 0.511 nan 8.230 nan 0.000 0.509 479 C N 0.233 119.621 119.300 0.148 0.000 2.514 479 C HA 0.043 7.260 4.460 4.596 0.000 0.271 479 C C 1.185 176.246 174.990 0.119 0.000 1.399 479 C CA -0.020 59.086 59.018 0.146 0.000 1.765 479 C CB -1.298 26.559 27.740 0.195 0.000 1.893 479 C HN 0.567 nan 8.230 nan 0.000 0.531 480 K N 1.424 121.899 120.400 0.125 0.000 2.382 480 K HA 0.301 7.378 4.320 4.596 0.000 0.275 480 K C 0.764 177.408 176.600 0.075 0.000 1.009 480 K CA 0.789 57.140 56.287 0.106 0.000 0.970 480 K CB 0.368 32.963 32.500 0.159 0.000 0.934 480 K HN 0.475 nan 8.250 nan 0.000 0.479 481 D N 1.476 121.892 120.400 0.026 0.000 2.369 481 D HA 0.038 7.435 4.640 4.596 0.000 0.211 481 D C 0.378 176.635 176.300 -0.073 0.000 1.077 481 D CA -0.133 53.865 54.000 -0.003 0.000 0.842 481 D CB 0.401 41.199 40.800 -0.003 0.000 0.947 481 D HN 0.423 nan 8.370 nan 0.000 0.509 482 S N -0.042 115.571 115.700 -0.146 0.000 2.573 482 S HA 0.567 7.794 4.470 4.596 0.000 0.277 482 S C 0.670 174.941 174.600 -0.547 0.000 1.346 482 S CA 0.066 58.052 58.200 -0.357 0.000 1.034 482 S CB 1.443 64.350 63.200 -0.488 0.000 0.879 482 S HN 0.798 nan 8.310 nan 0.000 0.528 483 A N 1.091 123.587 122.820 -0.542 0.000 2.248 483 A HA 0.896 7.974 4.320 4.596 0.000 0.316 483 A C -0.844 176.244 177.584 -0.826 0.000 1.101 483 A CA -0.533 51.212 52.037 -0.487 0.000 0.875 483 A CB 0.362 19.252 19.000 -0.184 0.000 1.207 483 A HN 0.610 nan 8.150 nan 0.000 0.504 484 F N -1.302 118.651 119.950 0.005 0.000 2.643 484 F HA 0.577 7.861 4.527 4.594 0.000 0.314 484 F C 0.146 175.946 175.800 0.002 0.000 1.096 484 F CA -0.348 57.653 58.000 0.001 0.000 0.953 484 F CB 2.093 41.093 39.000 -0.000 0.000 1.345 484 F HN 0.804 nan 8.300 nan 0.000 0.468 485 E N -0.159 120.162 120.200 0.202 0.000 2.445 485 E HA 0.554 7.661 4.350 4.596 0.000 0.279 485 E C -1.457 175.192 176.600 0.081 0.000 1.018 485 E CA -1.359 55.108 56.400 0.110 0.000 0.816 485 E CB 1.633 31.372 29.700 0.064 0.000 1.356 485 E HN 0.282 nan 8.360 nan 0.000 0.462 486 R N 1.726 122.257 120.500 0.052 0.000 2.235 486 R HA 0.260 7.357 4.340 4.596 0.000 0.338 486 R C -0.415 175.900 176.300 0.025 0.000 1.087 486 R CA -0.406 55.713 56.100 0.032 0.000 0.948 486 R CB 0.330 30.647 30.300 0.028 0.000 1.099 486 R HN 0.463 nan 8.270 nan 0.000 0.483 487 K N 2.681 123.094 120.400 0.022 0.000 2.297 487 K HA 0.057 7.134 4.320 4.596 0.000 0.286 487 K C -0.064 176.551 176.600 0.024 0.000 1.053 487 K CA -0.386 55.917 56.287 0.026 0.000 0.940 487 K CB 0.665 33.189 32.500 0.040 0.000 1.019 487 K HN 0.283 nan 8.250 nan 0.000 0.475 488 N N 5.271 123.978 118.700 0.011 0.000 2.405 488 N HA 0.022 7.519 4.740 4.596 0.000 0.260 488 N C 0.375 175.880 175.510 -0.008 0.000 1.152 488 N CA -0.006 53.044 53.050 -0.001 0.000 0.948 488 N CB 0.342 38.813 38.487 -0.027 0.000 1.111 488 N HN 0.621 nan 8.380 nan 0.000 0.485 489 I N 0.363 120.973 120.570 0.066 0.000 3.927 489 I HA 0.180 7.107 4.170 4.596 0.000 0.332 489 I C 1.095 177.318 176.117 0.176 0.000 1.485 489 I CA -0.472 60.927 61.300 0.166 0.000 1.131 489 I CB 0.053 38.301 38.000 0.413 0.000 1.092 489 I HN 0.116 nan 8.210 nan 0.000 0.410 490 T N 0.955 115.526 114.554 0.027 0.000 2.635 490 T HA -0.150 6.957 4.350 4.596 0.000 0.267 490 T C 1.708 176.355 174.700 -0.087 0.000 1.040 490 T CA 1.866 63.945 62.100 -0.034 0.000 1.156 490 T CB -0.199 68.637 68.868 -0.054 0.000 0.863 490 T HN 0.408 nan 8.240 nan 0.000 0.430 491 E N 0.580 120.704 120.200 -0.127 0.000 2.160 491 E HA -0.103 7.004 4.350 4.596 0.000 0.195 491 E C 2.001 178.600 176.600 -0.001 0.000 0.991 491 E CA 1.021 57.357 56.400 -0.106 0.000 0.810 491 E CB -0.421 29.191 29.700 -0.147 0.000 0.742 491 E HN 0.634 nan 8.360 nan 0.000 0.466 492 Y N 0.041 120.416 120.300 0.125 0.000 2.224 492 Y HA -0.183 7.125 4.550 4.596 0.000 0.289 492 Y C 2.706 178.518 175.900 -0.147 0.000 1.146 492 Y CA 0.307 58.528 58.100 0.201 0.000 1.182 492 Y CB -1.179 37.573 38.460 0.487 0.000 0.983 492 Y HN 0.158 nan 8.280 nan 0.000 0.524 493 C N 0.593 119.759 119.300 -0.223 0.000 2.453 493 C HA -0.124 7.093 4.460 4.596 0.000 0.277 493 C C 2.857 177.576 174.990 -0.450 0.000 1.262 493 C CA 0.731 59.228 59.018 -0.869 0.000 1.718 493 C CB -0.947 25.999 27.740 -1.322 0.000 2.031 493 C HN 0.506 nan 8.230 nan 0.000 0.480 494 R N 0.587 120.927 120.500 -0.267 0.000 2.096 494 R HA -0.159 6.938 4.340 4.596 0.000 0.240 494 R C 1.743 177.968 176.300 -0.125 0.000 1.139 494 R CA 2.132 58.138 56.100 -0.158 0.000 0.952 494 R CB -0.694 29.549 30.300 -0.094 0.000 0.854 494 R HN 0.592 nan 8.270 nan 0.000 0.436 495 D N 0.664 121.010 120.400 -0.089 0.000 2.117 495 D HA -0.114 7.284 4.640 4.596 0.000 0.197 495 D C 2.026 178.228 176.300 -0.163 0.000 0.987 495 D CA 1.046 55.017 54.000 -0.049 0.000 0.829 495 D CB -0.166 40.700 40.800 0.109 0.000 0.961 495 D HN 0.173 nan 8.370 nan 0.000 0.460 496 L N 0.239 121.262 121.223 -0.334 0.000 2.141 496 L HA -0.048 7.049 4.340 4.596 0.000 0.209 496 L C 2.389 179.134 176.870 -0.208 0.000 1.094 496 L CA 0.488 55.105 54.840 -0.371 0.000 0.763 496 L CB -0.131 41.629 42.059 -0.500 0.000 0.908 496 L HN 0.003 nan 8.230 nan 0.000 0.437 497 I N -0.470 119.986 120.570 -0.190 0.000 2.439 497 I HA -0.231 6.696 4.170 4.596 0.000 0.251 497 I C 2.356 178.422 176.117 -0.084 0.000 1.139 497 I CA 1.046 62.271 61.300 -0.124 0.000 1.438 497 I CB -0.132 37.794 38.000 -0.123 0.000 1.085 497 I HN 0.177 nan 8.210 nan 0.000 0.427 498 K N 0.889 121.242 120.400 -0.077 0.000 2.057 498 K HA -0.128 6.949 4.320 4.596 0.000 0.207 498 K C 2.024 178.602 176.600 -0.037 0.000 1.049 498 K CA 1.397 57.657 56.287 -0.045 0.000 0.931 498 K CB -0.120 32.363 32.500 -0.028 0.000 0.714 498 K HN 0.265 nan 8.250 nan 0.000 0.440 499 I N 0.897 121.439 120.570 -0.048 0.000 2.202 499 I HA -0.284 6.643 4.170 4.596 0.000 0.242 499 I C 2.123 178.219 176.117 -0.036 0.000 1.091 499 I CA 1.221 62.501 61.300 -0.032 0.000 1.368 499 I CB -0.232 37.749 38.000 -0.033 0.000 1.058 499 I HN 0.090 nan 8.210 nan 0.000 0.410 500 L N 0.299 121.491 121.223 -0.051 0.000 2.056 500 L HA -0.213 6.885 4.340 4.596 0.000 0.207 500 L C 2.843 179.689 176.870 -0.040 0.000 1.078 500 L CA 1.183 55.996 54.840 -0.045 0.000 0.749 500 L CB -0.659 41.371 42.059 -0.047 0.000 0.901 500 L HN 0.102 nan 8.230 nan 0.000 0.433 501 K N 0.116 120.492 120.400 -0.039 0.000 2.044 501 K HA -0.294 6.784 4.320 4.596 0.000 0.210 501 K C 2.085 178.668 176.600 -0.028 0.000 1.049 501 K CA 2.132 58.399 56.287 -0.032 0.000 0.927 501 K CB -0.433 32.048 32.500 -0.032 0.000 0.713 501 K HN 0.560 nan 8.250 nan 0.000 0.443 502 Q N -0.810 118.975 119.800 -0.025 0.000 2.084 502 Q HA -0.103 6.995 4.340 4.596 0.000 0.202 502 Q C 2.113 178.099 176.000 -0.023 0.000 0.978 502 Q CA 1.764 57.555 55.803 -0.020 0.000 0.844 502 Q CB -0.492 28.239 28.738 -0.013 0.000 0.898 502 Q HN 0.557 nan 8.270 nan 0.000 0.426 503 A N 1.472 124.275 122.820 -0.029 0.000 1.933 503 A HA -0.259 6.819 4.320 4.596 0.000 0.218 503 A C 1.890 179.447 177.584 -0.045 0.000 1.175 503 A CA 1.758 53.773 52.037 -0.037 0.000 0.628 503 A CB -0.706 18.268 19.000 -0.043 0.000 0.814 503 A HN 0.764 nan 8.150 nan 0.000 0.444 504 E N -0.272 119.903 120.200 -0.042 0.000 2.112 504 E HA -0.145 6.962 4.350 4.596 0.000 0.190 504 E C 1.450 178.030 176.600 -0.033 0.000 0.979 504 E CA 0.901 57.275 56.400 -0.043 0.000 0.814 504 E CB -0.514 29.163 29.700 -0.038 0.000 0.762 504 E HN 0.665 nan 8.360 nan 0.000 0.460 505 E N 0.718 120.902 120.200 -0.027 0.000 2.331 505 E HA -0.106 7.001 4.350 4.596 0.000 0.199 505 E C 1.766 178.353 176.600 -0.022 0.000 1.008 505 E CA 0.738 57.125 56.400 -0.022 0.000 0.843 505 E CB 0.003 29.692 29.700 -0.018 0.000 0.761 505 E HN 0.435 nan 8.360 nan 0.000 0.507 506 L N -0.074 121.133 121.223 -0.026 0.000 2.667 506 L HA 0.139 7.236 4.340 4.596 0.000 0.232 506 L C -0.301 176.550 176.870 -0.032 0.000 1.138 506 L CA -0.140 54.685 54.840 -0.025 0.000 0.921 506 L CB -0.268 41.777 42.059 -0.023 0.000 1.180 506 L HN 0.062 nan 8.230 nan 0.000 0.487 507 N N 0.719 119.396 118.700 -0.039 0.000 2.727 507 N HA -0.173 7.325 4.740 4.596 0.000 0.249 507 N C -0.487 174.984 175.510 -0.066 0.000 1.048 507 N CA 0.393 53.413 53.050 -0.048 0.000 0.714 507 N CB -0.588 37.877 38.487 -0.037 0.000 0.959 507 N HN 0.316 nan 8.380 nan 0.000 0.544 508 E N 0.814 120.969 120.200 -0.075 0.000 2.171 508 E HA 0.292 7.399 4.350 4.596 0.000 0.271 508 E C -0.077 176.431 176.600 -0.152 0.000 0.916 508 E CA -0.475 55.869 56.400 -0.093 0.000 0.774 508 E CB 1.335 30.998 29.700 -0.061 0.000 1.128 508 E HN 0.165 nan 8.360 nan 0.000 0.403 509 K N 2.539 122.795 120.400 -0.241 0.000 2.227 509 K HA 0.402 7.479 4.320 4.596 0.000 0.280 509 K C -0.205 176.240 176.600 -0.258 0.000 1.041 509 K CA -0.368 55.655 56.287 -0.439 0.000 0.905 509 K CB 0.979 32.883 32.500 -0.994 0.000 1.068 509 K HN 0.237 nan 8.250 nan 0.000 0.470 510 L N 4.097 125.247 121.223 -0.122 0.000 2.264 510 L HA 0.181 7.278 4.340 4.596 0.000 0.287 510 L C 0.726 177.700 176.870 0.173 0.000 1.039 510 L CA -0.781 54.076 54.840 0.027 0.000 0.829 510 L CB 0.795 42.855 42.059 0.002 0.000 1.211 510 L HN 0.768 nan 8.230 nan 0.000 0.427 511 T N 0.176 114.878 114.554 0.247 0.000 2.855 511 T HA 0.077 7.184 4.350 4.596 0.000 0.322 511 T C -1.706 172.953 174.700 -0.068 0.000 1.088 511 T CA -1.191 60.938 62.100 0.048 0.000 1.104 511 T CB 0.608 69.469 68.868 -0.012 0.000 0.996 511 T HN 0.322 nan 8.240 nan 0.000 0.549 512 P HA -0.058 nan 4.420 nan 0.000 0.217 512 P C 1.801 179.126 177.300 0.042 0.000 1.148 512 P CA 0.608 63.609 63.100 -0.166 0.000 0.828 512 P CB -0.043 31.326 31.700 -0.552 0.000 0.783 513 L N -0.529 120.709 121.223 0.026 0.000 2.012 513 L HA -0.213 6.884 4.340 4.596 0.000 0.210 513 L C 2.230 179.131 176.870 0.050 0.000 1.073 513 L CA 1.877 56.752 54.840 0.058 0.000 0.748 513 L CB -0.387 41.694 42.059 0.036 0.000 0.891 513 L HN -0.028 nan 8.230 nan 0.000 0.431 514 K N -0.730 119.693 120.400 0.039 0.000 2.148 514 K HA -0.205 6.872 4.320 4.596 0.000 0.204 514 K C 1.907 178.537 176.600 0.050 0.000 1.050 514 K CA 0.970 57.282 56.287 0.042 0.000 0.942 514 K CB -0.148 32.375 32.500 0.039 0.000 0.724 514 K HN 0.149 nan 8.250 nan 0.000 0.446 515 L N 1.235 122.488 121.223 0.049 0.000 2.027 515 L HA -0.160 6.937 4.340 4.596 0.000 0.206 515 L C 2.272 179.213 176.870 0.118 0.000 1.074 515 L CA 1.393 56.266 54.840 0.055 0.000 0.745 515 L CB -0.372 41.706 42.059 0.032 0.000 0.898 515 L HN -0.066 nan 8.230 nan 0.000 0.433 516 I N -0.371 120.281 120.570 0.137 0.000 2.202 516 I HA -0.221 6.706 4.170 4.596 0.000 0.242 516 I C 2.386 178.598 176.117 0.158 0.000 1.091 516 I CA 1.326 62.744 61.300 0.197 0.000 1.368 516 I CB -1.285 36.767 38.000 0.087 0.000 1.058 516 I HN 0.404 nan 8.210 nan 0.000 0.410 517 D N -0.008 120.447 120.400 0.093 0.000 2.104 517 D HA -0.185 7.212 4.640 4.596 0.000 0.194 517 D C 2.391 178.741 176.300 0.084 0.000 0.994 517 D CA 1.912 55.950 54.000 0.063 0.000 0.830 517 D CB -0.479 40.346 40.800 0.043 0.000 0.959 517 D HN 0.414 nan 8.370 nan 0.000 0.452 518 S N -0.775 114.989 115.700 0.107 0.000 2.368 518 S HA -0.170 7.058 4.470 4.596 0.000 0.224 518 S C 1.803 176.515 174.600 0.187 0.000 1.029 518 S CA 1.031 59.298 58.200 0.111 0.000 0.988 518 S CB -0.457 62.794 63.200 0.085 0.000 0.838 518 S HN 0.393 nan 8.310 nan 0.000 0.462 519 W N 1.876 123.173 121.300 -0.005 0.000 2.342 519 W HA 0.036 7.452 4.660 4.594 0.000 0.297 519 W C 1.974 178.484 176.519 -0.014 0.000 1.213 519 W CA 1.144 58.487 57.345 -0.004 0.000 1.251 519 W CB -0.664 28.790 29.460 -0.010 0.000 1.136 519 W HN 0.335 nan 8.180 nan 0.000 0.526 520 M N -0.254 119.391 119.600 0.075 0.000 2.595 520 M HA 0.158 7.395 4.480 4.596 0.000 0.248 520 M C 1.599 177.876 176.300 -0.037 0.000 1.119 520 M CA 1.230 56.478 55.300 -0.087 0.000 1.079 520 M CB -0.409 32.137 32.600 -0.090 0.000 1.472 520 M HN 0.160 nan 8.290 nan 0.000 0.501 521 G N 1.635 110.447 108.800 0.021 0.000 2.137 521 G HA2 -0.230 6.487 3.960 4.596 0.000 0.237 521 G HA3 -0.230 6.487 3.960 4.596 0.000 0.237 521 G C 0.029 174.935 174.900 0.011 0.000 1.002 521 G CA 0.212 45.323 45.100 0.019 0.000 0.702 521 G HN 0.427 nan 8.290 nan 0.000 0.515 522 K N -0.684 119.725 120.400 0.016 0.000 2.296 522 K HA 0.763 7.840 4.320 4.596 0.000 0.243 522 K C 1.039 177.652 176.600 0.021 0.000 1.082 522 K CA -0.341 55.953 56.287 0.011 0.000 0.929 522 K CB 1.105 33.605 32.500 0.001 0.000 1.353 522 K HN 1.397 nan 8.250 nan 0.000 0.536 523 G N 0.211 109.021 108.800 0.017 0.000 2.750 523 G HA2 -0.152 6.565 3.960 4.596 0.000 0.228 523 G HA3 -0.152 6.565 3.960 4.596 0.000 0.228 523 G C -0.438 174.473 174.900 0.018 0.000 1.367 523 G CA -0.409 44.704 45.100 0.020 0.000 0.871 523 G HN 0.759 nan 8.290 nan 0.000 0.560 524 A N -0.165 122.666 122.820 0.017 0.000 2.520 524 A HA 0.676 7.753 4.320 4.596 0.000 0.245 524 A C 1.807 179.399 177.584 0.014 0.000 1.072 524 A CA 1.154 53.200 52.037 0.014 0.000 0.761 524 A CB 0.314 19.321 19.000 0.012 0.000 1.004 524 A HN 2.503 nan 8.150 nan 0.000 0.499 525 A N 2.925 125.752 122.820 0.012 0.000 2.019 525 A HA -0.141 6.936 4.320 4.596 0.000 0.219 525 A C 1.996 179.587 177.584 0.011 0.000 1.164 525 A CA 1.729 53.773 52.037 0.012 0.000 0.644 525 A CB -0.454 18.552 19.000 0.009 0.000 0.805 525 A HN 0.978 nan 8.150 nan 0.000 0.449 526 K N 0.010 120.415 120.400 0.008 0.000 2.147 526 K HA -0.041 7.037 4.320 4.596 0.000 0.205 526 K C 1.287 177.890 176.600 0.005 0.000 1.049 526 K CA 1.569 57.859 56.287 0.005 0.000 0.936 526 K CB -0.514 31.987 32.500 0.001 0.000 0.722 526 K HN 0.444 nan 8.250 nan 0.000 0.446 527 L N 1.090 122.319 121.223 0.009 0.000 2.599 527 L HA 0.109 7.206 4.340 4.596 0.000 0.230 527 L C 0.677 177.559 176.870 0.020 0.000 1.141 527 L CA -0.119 54.727 54.840 0.010 0.000 0.877 527 L CB -0.242 41.825 42.059 0.012 0.000 1.009 527 L HN 0.126 nan 8.230 nan 0.000 0.447 528 R N -0.020 120.494 120.500 0.024 0.000 2.536 528 R HA 0.552 7.650 4.340 4.596 0.000 0.279 528 R C -0.785 175.533 176.300 0.030 0.000 1.001 528 R CA -0.637 55.484 56.100 0.035 0.000 1.027 528 R CB 2.168 32.490 30.300 0.036 0.000 1.096 528 R HN -0.191 nan 8.270 nan 0.000 0.502 529 V N 1.955 121.892 119.914 0.040 0.000 2.409 529 V HA 0.321 7.199 4.120 4.596 0.000 0.291 529 V C 0.269 176.386 176.094 0.039 0.000 1.020 529 V CA -1.008 61.312 62.300 0.033 0.000 0.848 529 V CB 1.483 33.325 31.823 0.031 0.000 0.990 529 V HN 0.952 nan 8.190 nan 0.000 0.430 530 A N 3.680 126.517 122.820 0.028 0.000 2.546 530 A HA 0.500 7.577 4.320 4.596 0.000 0.243 530 A C 1.517 179.121 177.584 0.033 0.000 1.063 530 A CA 0.830 52.884 52.037 0.027 0.000 0.757 530 A CB -0.402 18.609 19.000 0.019 0.000 0.991 530 A HN 2.276 nan 8.150 nan 0.000 0.503 531 G N 0.871 109.693 108.800 0.037 0.000 2.159 531 G HA2 -0.160 6.558 3.960 4.596 0.000 0.256 531 G HA3 -0.160 6.558 3.960 4.596 0.000 0.256 531 G C 0.145 175.083 174.900 0.063 0.000 0.977 531 G CA 0.161 45.285 45.100 0.041 0.000 0.652 531 G HN 1.456 nan 8.290 nan 0.000 0.531 532 V N 1.580 121.544 119.914 0.083 0.000 2.334 532 V HA 0.513 7.391 4.120 4.596 0.000 0.267 532 V C 0.457 176.637 176.094 0.142 0.000 1.040 532 V CA -0.513 61.870 62.300 0.139 0.000 0.866 532 V CB 1.514 33.438 31.823 0.168 0.000 1.019 532 V HN 0.302 nan 8.190 nan 0.000 0.468 533 V N 4.884 124.879 119.914 0.134 0.000 2.370 533 V HA 0.674 7.551 4.120 4.596 0.000 0.283 533 V C 0.662 176.773 176.094 0.027 0.000 1.023 533 V CA -0.736 61.602 62.300 0.064 0.000 0.857 533 V CB 1.458 33.301 31.823 0.034 0.000 0.985 533 V HN 0.897 nan 8.190 nan 0.000 0.443 534 A N 7.767 130.466 122.820 -0.202 0.000 2.425 534 A HA 0.638 7.716 4.320 4.596 0.000 0.242 534 A C -1.791 175.567 177.584 -0.377 0.000 1.077 534 A CA -0.818 50.827 52.037 -0.654 0.000 0.781 534 A CB -0.204 18.207 19.000 -0.982 0.000 1.020 534 A HN 0.714 nan 8.150 nan 0.000 0.494 535 P HA 0.382 nan 4.420 nan 0.000 0.276 535 P C 0.156 177.300 177.300 -0.260 0.000 1.252 535 P CA 0.197 63.162 63.100 -0.225 0.000 0.802 535 P CB 0.551 32.140 31.700 -0.185 0.000 1.035 536 T N 1.347 115.807 114.554 -0.156 0.000 3.406 536 T HA 0.331 7.439 4.350 4.596 0.000 0.244 536 T C 0.862 175.476 174.700 -0.142 0.000 0.949 536 T CA -0.170 61.844 62.100 -0.144 0.000 0.926 536 T CB -1.133 67.680 68.868 -0.092 0.000 1.089 536 T HN 0.179 nan 8.240 nan 0.000 0.604 537 L N 1.450 122.559 121.223 -0.190 0.000 2.436 537 L HA 0.387 7.484 4.340 4.596 0.000 0.265 537 L C -1.718 175.045 176.870 -0.179 0.000 1.168 537 L CA -2.142 52.597 54.840 -0.170 0.000 0.815 537 L CB 0.466 42.405 42.059 -0.200 0.000 1.109 537 L HN 0.146 nan 8.230 nan 0.000 0.462 538 P HA 0.079 nan 4.420 nan 0.000 0.272 538 P C 0.136 177.339 177.300 -0.161 0.000 1.240 538 P CA -0.456 62.566 63.100 -0.131 0.000 0.791 538 P CB 0.715 32.357 31.700 -0.097 0.000 0.978 539 R N 0.995 121.404 120.500 -0.152 0.000 2.081 539 R HA -0.175 6.922 4.340 4.596 0.000 0.235 539 R C 2.277 178.457 176.300 -0.200 0.000 1.131 539 R CA 2.216 58.210 56.100 -0.178 0.000 0.960 539 R CB -0.749 29.463 30.300 -0.147 0.000 0.856 539 R HN 0.666 nan 8.270 nan 0.000 0.436 540 E N 0.895 120.993 120.200 -0.169 0.000 2.204 540 E HA -0.184 6.923 4.350 4.596 0.000 0.195 540 E C 1.415 177.914 176.600 -0.169 0.000 0.990 540 E CA 1.684 57.977 56.400 -0.179 0.000 0.821 540 E CB -0.520 29.097 29.700 -0.139 0.000 0.750 540 E HN 0.485 nan 8.360 nan 0.000 0.477 541 D N -0.210 120.099 120.400 -0.152 0.000 2.183 541 D HA 0.019 7.417 4.640 4.596 0.000 0.203 541 D C 1.972 178.178 176.300 -0.157 0.000 0.969 541 D CA 0.592 54.510 54.000 -0.137 0.000 0.842 541 D CB 0.024 40.745 40.800 -0.131 0.000 0.957 541 D HN 0.438 nan 8.370 nan 0.000 0.484 542 L N 0.536 121.640 121.223 -0.199 0.000 2.044 542 L HA -0.079 7.019 4.340 4.596 0.000 0.205 542 L C 2.212 179.018 176.870 -0.107 0.000 1.075 542 L CA 1.018 55.775 54.840 -0.137 0.000 0.747 542 L CB -0.415 41.493 42.059 -0.252 0.000 0.903 542 L HN 0.002 nan 8.230 nan 0.000 0.435 543 E N 0.405 120.401 120.200 -0.340 0.000 2.147 543 E HA -0.318 6.789 4.350 4.596 0.000 0.199 543 E C 2.134 178.579 176.600 -0.259 0.000 1.005 543 E CA 1.627 57.610 56.400 -0.696 0.000 0.810 543 E CB -0.073 29.169 29.700 -0.763 0.000 0.736 543 E HN 0.335 nan 8.360 nan 0.000 0.460 544 K N 0.747 121.076 120.400 -0.119 0.000 2.103 544 K HA -0.088 6.989 4.320 4.596 0.000 0.204 544 K C 2.009 178.590 176.600 -0.033 0.000 1.052 544 K CA 0.733 57.022 56.287 0.003 0.000 0.945 544 K CB 0.035 32.527 32.500 -0.013 0.000 0.722 544 K HN 0.038 nan 8.250 nan 0.000 0.443 545 I N 0.837 121.348 120.570 -0.098 0.000 2.315 545 I HA -0.255 6.673 4.170 4.596 0.000 0.248 545 I C 2.017 177.924 176.117 -0.351 0.000 1.117 545 I CA 1.060 62.215 61.300 -0.241 0.000 1.404 545 I CB -0.037 37.919 38.000 -0.074 0.000 1.071 545 I HN 0.182 nan 8.210 nan 0.000 0.419 546 I N 0.275 120.828 120.570 -0.028 0.000 2.277 546 I HA -0.199 6.729 4.170 4.596 0.000 0.243 546 I C 2.766 179.039 176.117 0.260 0.000 1.094 546 I CA 1.039 62.439 61.300 0.168 0.000 1.393 546 I CB -0.453 37.692 38.000 0.242 0.000 1.078 546 I HN 0.132 nan 8.210 nan 0.000 0.417 547 A N 0.295 123.318 122.820 0.337 0.000 1.948 547 A HA -0.339 6.738 4.320 4.596 0.000 0.220 547 A C 2.161 179.792 177.584 0.079 0.000 1.177 547 A CA 2.330 54.504 52.037 0.228 0.000 0.636 547 A CB -1.047 18.138 19.000 0.309 0.000 0.815 547 A HN 0.525 nan 8.150 nan 0.000 0.449 548 H N -1.132 117.891 119.070 -0.078 0.000 2.293 548 H HA -0.120 7.193 4.556 4.595 0.000 0.300 548 H C 1.683 177.008 175.328 -0.006 0.000 1.082 548 H CA 2.303 58.272 56.048 -0.131 0.000 1.308 548 H CB -0.458 29.127 29.762 -0.295 0.000 1.375 548 H HN 0.535 nan 8.280 nan 0.000 0.495 549 F N -0.885 119.145 119.950 0.133 0.000 2.216 549 F HA -0.143 7.143 4.527 4.597 0.000 0.300 549 F C 2.328 178.176 175.800 0.080 0.000 1.085 549 F CA 0.125 58.201 58.000 0.127 0.000 1.326 549 F CB -0.227 38.845 39.000 0.119 0.000 1.027 549 F HN 0.215 nan 8.300 nan 0.000 0.497 550 L N 1.806 123.140 121.223 0.186 0.000 1.943 550 L HA -0.196 6.902 4.340 4.596 0.000 0.215 550 L C 2.364 179.155 176.870 -0.132 0.000 1.074 550 L CA 1.800 56.658 54.840 0.030 0.000 0.759 550 L CB -1.092 40.950 42.059 -0.029 0.000 0.888 550 L HN 0.283 nan 8.230 nan 0.000 0.433 551 I N -2.574 117.796 120.570 -0.334 0.000 2.530 551 I HA -0.251 6.676 4.170 4.596 0.000 0.257 551 I C 1.762 177.846 176.117 -0.054 0.000 1.179 551 I CA 1.390 62.515 61.300 -0.292 0.000 1.440 551 I CB -0.682 37.146 38.000 -0.288 0.000 1.087 551 I HN 0.454 nan 8.210 nan 0.000 0.440 552 Q N 0.497 120.264 119.800 -0.054 0.000 2.432 552 Q HA -0.036 7.061 4.340 4.596 0.000 0.205 552 Q C 0.447 176.403 176.000 -0.073 0.000 0.945 552 Q CA 0.255 56.047 55.803 -0.019 0.000 0.924 552 Q CB 0.178 28.971 28.738 0.092 0.000 1.016 552 Q HN 0.629 nan 8.270 nan 0.000 0.503 553 Q N -2.146 117.657 119.800 0.005 0.000 2.424 553 Q HA -0.233 6.865 4.340 4.596 0.000 0.234 553 Q C 0.536 176.482 176.000 -0.090 0.000 0.748 553 Q CA 0.823 56.615 55.803 -0.018 0.000 1.286 553 Q CB -2.198 26.521 28.738 -0.032 0.000 1.494 553 Q HN 0.509 nan 8.270 nan 0.000 0.683 554 Y N -0.148 120.180 120.300 0.046 0.000 2.274 554 Y HA -0.039 7.268 4.550 4.595 0.000 0.290 554 Y C 1.727 177.616 175.900 -0.019 0.000 1.145 554 Y CA 1.226 59.321 58.100 -0.008 0.000 1.203 554 Y CB 0.269 38.706 38.460 -0.039 0.000 0.984 554 Y HN 0.145 nan 8.280 nan 0.000 0.533 555 L N 0.347 121.680 121.223 0.183 0.000 2.313 555 L HA 0.483 7.580 4.340 4.596 0.000 0.268 555 L C -0.527 176.411 176.870 0.113 0.000 1.010 555 L CA -1.213 53.699 54.840 0.120 0.000 0.814 555 L CB 2.244 44.392 42.059 0.150 0.000 1.304 555 L HN -0.106 nan 8.230 nan 0.000 0.441 556 K N -0.441 120.017 120.400 0.098 0.000 2.536 556 K HA 0.545 7.622 4.320 4.596 0.000 0.269 556 K C -1.391 175.262 176.600 0.088 0.000 0.965 556 K CA -0.959 55.398 56.287 0.116 0.000 0.860 556 K CB 2.187 34.739 32.500 0.087 0.000 1.423 556 K HN 0.415 nan 8.250 nan 0.000 0.438 557 E N 0.560 120.810 120.200 0.083 0.000 2.319 557 E HA 0.151 7.258 4.350 4.596 0.000 0.268 557 E C -1.314 175.170 176.600 -0.193 0.000 1.050 557 E CA -0.505 55.842 56.400 -0.089 0.000 0.878 557 E CB 1.255 30.823 29.700 -0.221 0.000 1.066 557 E HN 0.570 nan 8.360 nan 0.000 0.406 558 D N 1.136 121.376 120.400 -0.267 0.000 2.788 558 D HA 0.211 7.608 4.640 4.596 0.000 0.247 558 D C -1.704 174.498 176.300 -0.163 0.000 1.236 558 D CA -0.408 53.535 54.000 -0.096 0.000 0.898 558 D CB 0.526 41.362 40.800 0.059 0.000 1.401 558 D HN 0.211 nan 8.370 nan 0.000 0.549 559 Y N 1.419 121.777 120.300 0.097 0.000 2.376 559 Y HA 0.551 7.858 4.550 4.595 0.000 0.325 559 Y C 0.611 176.544 175.900 0.056 0.000 1.199 559 Y CA -0.879 57.214 58.100 -0.013 0.000 1.206 559 Y CB 1.985 40.371 38.460 -0.124 0.000 1.229 559 Y HN 0.272 nan 8.280 nan 0.000 0.480 560 S N 2.233 117.996 115.700 0.104 0.000 2.532 560 S HA 0.641 7.869 4.470 4.596 0.000 0.299 560 S C -1.496 173.085 174.600 -0.031 0.000 1.105 560 S CA -0.642 57.657 58.200 0.165 0.000 1.018 560 S CB 0.138 63.509 63.200 0.286 0.000 1.021 560 S HN 0.407 nan 8.310 nan 0.000 0.483 561 F N 3.300 123.311 119.950 0.101 0.000 2.410 561 F HA 0.494 7.778 4.527 4.596 0.000 0.349 561 F C 1.208 177.034 175.800 0.043 0.000 1.117 561 F CA -0.198 57.837 58.000 0.060 0.000 1.104 561 F CB 1.884 40.905 39.000 0.036 0.000 1.122 561 F HN 0.657 nan 8.300 nan 0.000 0.483 562 T N -0.702 113.937 114.554 0.142 0.000 2.907 562 T HA 0.655 7.762 4.350 4.596 0.000 0.290 562 T C 1.036 175.741 174.700 0.007 0.000 1.066 562 T CA -0.379 61.769 62.100 0.080 0.000 1.012 562 T CB 1.545 70.460 68.868 0.077 0.000 1.184 562 T HN 0.558 nan 8.240 nan 0.000 0.522 563 A N 0.262 123.015 122.820 -0.111 0.000 1.909 563 A HA -0.161 6.916 4.320 4.596 0.000 0.221 563 A C 1.666 178.940 177.584 -0.516 0.000 1.223 563 A CA 2.116 53.896 52.037 -0.428 0.000 0.658 563 A CB -1.405 17.145 19.000 -0.750 0.000 0.831 563 A HN 0.944 nan 8.150 nan 0.000 0.462 564 Y N -2.853 117.481 120.300 0.057 0.000 2.467 564 Y HA 0.601 7.908 4.550 4.595 0.000 0.259 564 Y C 0.910 176.839 175.900 0.049 0.000 1.084 564 Y CA 0.102 58.231 58.100 0.049 0.000 1.275 564 Y CB 0.326 38.808 38.460 0.037 0.000 1.208 564 Y HN 0.424 nan 8.280 nan 0.000 0.511 565 A N -0.157 122.761 122.820 0.164 0.000 2.539 565 A HA 0.701 7.778 4.320 4.596 0.000 0.296 565 A C -0.749 176.841 177.584 0.009 0.000 1.073 565 A CA -0.626 51.468 52.037 0.095 0.000 0.700 565 A CB 0.807 19.863 19.000 0.094 0.000 1.296 565 A HN -0.023 nan 8.150 nan 0.000 0.405 566 T N 2.317 116.830 114.554 -0.069 0.000 2.767 566 T HA 0.550 7.657 4.350 4.596 0.000 0.288 566 T C 0.164 174.777 174.700 -0.146 0.000 0.963 566 T CA 0.121 62.070 62.100 -0.252 0.000 1.019 566 T CB -0.048 68.559 68.868 -0.435 0.000 0.923 566 T HN 0.726 nan 8.240 nan 0.000 0.468 567 I N -0.268 120.193 120.570 -0.182 0.000 2.693 567 I HA 0.853 7.780 4.170 4.596 0.000 0.303 567 I C -0.250 175.665 176.117 -0.336 0.000 1.025 567 I CA -0.822 60.339 61.300 -0.232 0.000 1.086 567 I CB 2.291 40.113 38.000 -0.295 0.000 1.268 567 I HN 0.437 nan 8.210 nan 0.000 0.440 568 S N 3.061 118.529 115.700 -0.387 0.000 2.501 568 S HA 0.691 7.918 4.470 4.596 0.000 0.301 568 S C -1.263 172.979 174.600 -0.597 0.000 1.096 568 S CA -0.302 57.638 58.200 -0.435 0.000 1.063 568 S CB 0.650 63.739 63.200 -0.185 0.000 1.042 568 S HN 0.568 nan 8.310 nan 0.000 0.494 569 Y N 2.195 122.352 120.300 -0.238 0.000 2.576 569 Y HA 0.577 7.885 4.550 4.597 0.000 0.346 569 Y C -0.220 175.565 175.900 -0.192 0.000 1.018 569 Y CA -1.187 56.796 58.100 -0.196 0.000 1.050 569 Y CB 1.401 39.789 38.460 -0.121 0.000 1.280 569 Y HN 0.406 nan 8.280 nan 0.000 0.474 570 L N 1.892 123.128 121.223 0.022 0.000 2.334 570 L HA 0.656 7.753 4.340 4.596 0.000 0.272 570 L C -0.605 176.273 176.870 0.014 0.000 1.020 570 L CA -0.844 53.998 54.840 0.002 0.000 0.812 570 L CB 1.864 43.918 42.059 -0.007 0.000 1.264 570 L HN 0.606 nan 8.230 nan 0.000 0.439 571 K N 1.220 121.629 120.400 0.015 0.000 2.522 571 K HA 0.529 7.606 4.320 4.596 0.000 0.275 571 K C -1.186 175.419 176.600 0.008 0.000 1.006 571 K CA -0.963 55.326 56.287 0.004 0.000 0.890 571 K CB 2.476 34.979 32.500 0.006 0.000 1.475 571 K HN 0.358 nan 8.250 nan 0.000 0.441 572 I N 2.049 122.616 120.570 -0.005 0.000 2.668 572 I HA 0.006 6.934 4.170 4.596 0.000 0.285 572 I C 0.944 177.067 176.117 0.009 0.000 1.168 572 I CA 0.407 61.705 61.300 -0.004 0.000 1.424 572 I CB 0.296 38.286 38.000 -0.017 0.000 1.377 572 I HN 0.610 nan 8.210 nan 0.000 0.560 573 G N 6.522 115.334 108.800 0.021 0.000 2.535 573 G HA2 0.366 7.083 3.960 4.596 0.000 0.303 573 G HA3 0.366 7.083 3.960 4.596 0.000 0.303 573 G C -1.913 172.979 174.900 -0.014 0.000 1.237 573 G CA -1.045 44.066 45.100 0.019 0.000 0.986 573 G HN 0.393 nan 8.290 nan 0.000 0.494 574 P HA -0.042 nan 4.420 nan 0.000 0.219 574 P C 1.358 178.599 177.300 -0.098 0.000 1.146 574 P CA 1.038 64.108 63.100 -0.051 0.000 0.808 574 P CB 0.284 31.957 31.700 -0.044 0.000 0.779 575 K N -1.070 119.226 120.400 -0.173 0.000 2.404 575 K HA 0.280 7.358 4.320 4.596 0.000 0.194 575 K C 1.725 178.210 176.600 -0.191 0.000 1.023 575 K CA 0.293 56.397 56.287 -0.305 0.000 1.094 575 K CB -0.391 31.705 32.500 -0.674 0.000 0.841 575 K HN 0.032 nan 8.250 nan 0.000 0.523 576 A N 2.812 125.606 122.820 -0.042 0.000 2.070 576 A HA -0.192 6.885 4.320 4.596 0.000 0.220 576 A C 1.775 179.351 177.584 -0.014 0.000 1.159 576 A CA 1.554 53.622 52.037 0.052 0.000 0.656 576 A CB -0.567 18.444 19.000 0.019 0.000 0.800 576 A HN 0.456 nan 8.150 nan 0.000 0.453 577 N N 0.645 119.313 118.700 -0.053 0.000 2.512 577 N HA -0.062 7.435 4.740 4.596 0.000 0.183 577 N C 1.306 176.759 175.510 -0.095 0.000 1.073 577 N CA 0.926 53.939 53.050 -0.061 0.000 0.911 577 N CB -0.617 37.839 38.487 -0.052 0.000 0.964 577 N HN 0.528 nan 8.380 nan 0.000 0.447 578 L N 0.152 121.283 121.223 -0.153 0.000 2.201 578 L HA 0.022 7.120 4.340 4.596 0.000 0.212 578 L C 2.021 178.660 176.870 -0.386 0.000 1.105 578 L CA 0.645 55.295 54.840 -0.316 0.000 0.775 578 L CB -0.333 41.424 42.059 -0.502 0.000 0.913 578 L HN 0.100 nan 8.230 nan 0.000 0.440 579 L N -0.160 120.938 121.223 -0.208 0.000 2.551 579 L HA -0.070 7.027 4.340 4.596 0.000 0.228 579 L C 1.901 178.744 176.870 -0.045 0.000 1.153 579 L CA 0.046 54.829 54.840 -0.094 0.000 0.851 579 L CB -0.531 41.495 42.059 -0.055 0.000 0.959 579 L HN 0.311 nan 8.230 nan 0.000 0.451 580 N N 0.076 118.746 118.700 -0.051 0.000 2.244 580 N HA -0.134 7.364 4.740 4.596 0.000 0.183 580 N C 0.888 176.394 175.510 -0.007 0.000 1.016 580 N CA 0.613 53.647 53.050 -0.026 0.000 0.866 580 N CB -0.498 37.972 38.487 -0.027 0.000 0.980 580 N HN 0.237 nan 8.380 nan 0.000 0.430 581 N N 2.188 120.888 118.700 0.000 0.000 2.427 581 N HA -0.069 7.428 4.740 4.596 0.000 0.269 581 N C 0.864 176.411 175.510 0.062 0.000 1.235 581 N CA 0.091 53.166 53.050 0.041 0.000 0.934 581 N CB 0.486 39.020 38.487 0.079 0.000 1.121 581 N HN 0.327 nan 8.380 nan 0.000 0.480 582 E N 2.699 122.924 120.200 0.041 0.000 2.418 582 E HA -0.048 7.060 4.350 4.596 0.000 0.197 582 E C 0.902 177.528 176.600 0.044 0.000 1.026 582 E CA 0.749 57.170 56.400 0.035 0.000 0.862 582 E CB 0.046 29.756 29.700 0.016 0.000 0.799 582 E HN 0.518 nan 8.360 nan 0.000 0.518 583 A N 0.851 123.705 122.820 0.057 0.000 2.218 583 A HA 0.025 7.102 4.320 4.596 0.000 0.209 583 A C 0.490 178.114 177.584 0.067 0.000 1.168 583 A CA -0.102 51.964 52.037 0.048 0.000 0.804 583 A CB -0.569 18.453 19.000 0.038 0.000 0.834 583 A HN 0.374 nan 8.150 nan 0.000 0.482 584 H N 0.640 119.717 119.070 0.012 0.000 3.038 584 H HA 0.353 7.667 4.556 4.595 0.000 0.338 584 H C 0.092 175.425 175.328 0.008 0.000 1.041 584 H CA 0.679 56.741 56.048 0.024 0.000 1.394 584 H CB 0.438 30.223 29.762 0.037 0.000 1.357 584 H HN 0.296 nan 8.280 nan 0.000 0.600 585 A N 6.391 128.925 122.820 -0.476 0.000 2.335 585 A HA 0.462 7.539 4.320 4.596 0.000 0.304 585 A C -0.762 176.644 177.584 -0.297 0.000 1.118 585 A CA -0.750 51.129 52.037 -0.264 0.000 0.757 585 A CB 0.604 19.512 19.000 -0.152 0.000 1.188 585 A HN 0.694 nan 8.150 nan 0.000 0.460 586 I N 3.072 123.574 120.570 -0.114 0.000 2.321 586 I HA 0.417 7.345 4.170 4.596 0.000 0.291 586 I C 0.366 176.538 176.117 0.091 0.000 0.998 586 I CA -0.258 61.056 61.300 0.023 0.000 1.227 586 I CB 1.890 39.919 38.000 0.048 0.000 1.368 586 I HN 0.737 nan 8.210 nan 0.000 0.466 587 T N 3.779 118.405 114.554 0.120 0.000 2.887 587 T HA 0.714 7.822 4.350 4.596 0.000 0.288 587 T C -0.603 174.123 174.700 0.044 0.000 1.021 587 T CA -0.853 61.290 62.100 0.072 0.000 1.000 587 T CB 2.481 71.372 68.868 0.039 0.000 1.034 587 T HN 0.555 nan 8.240 nan 0.000 0.467 588 M N 2.276 121.823 119.600 -0.088 0.000 2.393 588 M HA 0.384 7.622 4.480 4.596 0.000 0.299 588 M C -0.618 175.611 176.300 -0.119 0.000 1.103 588 M CA -0.692 54.445 55.300 -0.272 0.000 0.910 588 M CB 2.480 34.778 32.600 -0.503 0.000 1.659 588 M HN 0.913 nan 8.290 nan 0.000 0.445 589 Q N 3.743 123.481 119.800 -0.103 0.000 2.313 589 Q HA 0.479 7.577 4.340 4.596 0.000 0.266 589 Q C -1.370 174.627 176.000 -0.004 0.000 0.989 589 Q CA -0.366 55.412 55.803 -0.042 0.000 0.890 589 Q CB 0.739 29.420 28.738 -0.094 0.000 1.200 589 Q HN 0.611 nan 8.270 nan 0.000 0.396 590 V N 0.488 120.454 119.914 0.086 0.000 3.040 590 V HA 0.608 7.486 4.120 4.596 0.000 0.312 590 V C -0.103 176.141 176.094 0.250 0.000 1.115 590 V CA -0.694 61.681 62.300 0.126 0.000 0.998 590 V CB 1.440 33.301 31.823 0.063 0.000 1.042 590 V HN 0.893 nan 8.190 nan 0.000 0.433 591 T N 0.373 115.055 114.554 0.213 0.000 2.928 591 T HA 0.319 7.427 4.350 4.596 0.000 0.305 591 T C -0.029 174.656 174.700 -0.025 0.000 1.035 591 T CA -0.153 61.976 62.100 0.048 0.000 1.145 591 T CB 0.479 69.337 68.868 -0.016 0.000 0.963 591 T HN 0.895 nan 8.240 nan 0.000 0.545 592 K N 0.000 120.333 120.400 -0.111 0.000 2.780 592 K HA 0.000 7.077 4.320 4.596 0.000 0.191 592 K CA 0.000 56.242 56.287 -0.075 0.000 0.838 592 K CB 0.000 32.453 32.500 -0.079 0.000 1.064 592 K HN 0.000 nan 8.250 nan 0.000 0.543