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 2jjb_1_A DATA FIRST_RESID 35 DATA SEQUENCE VTPQPPDILL GPLFNDVQNA KLFPDQKTFA DAVPNSDPLM ILADYRMQQN DATA SEQUENCE QXXFDLRHFV NVNFTLPKXX XXYVPPEGQS LREHIDGLWP VLTRSTENTE DATA SEQUENCE KWDSLLPLPE PYVVPGGRFR EVYYWDSYFT MLGLAESGHW DKVADMVANF DATA SEQUENCE AHEIDTYGHI PNGNRSYYLS RSQPPFFALM VELLAQHEGD AALKQYLPQM DATA SEQUENCE QKEYAYWMDG VENLQAGQQE KRVVKLQDGT LLNRYWDDRD TPRPESWVED DATA SEQUENCE IATAKSNPNR PATEIYRDLR SAAASGWDFS SRWMDNPQQL NTLRTTSIVP DATA SEQUENCE VDLNSLMFKM EKILARASKA AGDNAMANQY ETLANARQKG IEKYLWNDQQ DATA SEQUENCE GWYADYDLKS HKVRNQLTAA ALFPLYVNAA AKDRANKMAT ATKTHLLQPG DATA SEQUENCE GLNTTSVKSG QQWDAPNGWA PLQWVATEGL QNYGQKEVAM DISWHFLTNV DATA SEQUENCE QHTYDREKKL VEKYDVSTTG TGXXGGEYPL QDGFGWTNGV TLKMLDLIcP DATA SEQUENCE KEQPcDNVPA TR 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 35 V HA 0.000 nan 4.120 nan 0.000 0.244 35 V C 0.000 176.056 176.094 -0.064 0.000 1.182 35 V CA 0.000 62.272 62.300 -0.047 0.000 1.235 35 V CB 0.000 31.813 31.823 -0.016 0.000 1.184 36 T N 8.760 123.306 114.554 -0.014 0.000 2.908 36 T HA 0.204 4.554 4.350 0.001 0.000 0.301 36 T C -2.347 172.351 174.700 -0.004 0.000 1.019 36 T CA 0.122 62.221 62.100 -0.001 0.000 1.152 36 T CB 0.597 69.504 68.868 0.065 0.000 0.966 36 T HN 0.678 nan 8.240 nan 0.000 0.540 37 P HA 0.121 nan 4.420 nan 0.000 0.272 37 P C -0.233 177.099 177.300 0.054 0.000 1.223 37 P CA -0.485 62.665 63.100 0.083 0.000 0.784 37 P CB 0.625 32.405 31.700 0.133 0.000 0.923 38 Q N 2.380 122.230 119.800 0.083 0.000 2.540 38 Q HA 0.135 4.475 4.340 0.001 0.000 0.256 38 Q C -1.864 174.127 176.000 -0.015 0.000 1.084 38 Q CA -0.904 54.916 55.803 0.028 0.000 0.956 38 Q CB -1.056 27.703 28.738 0.034 0.000 1.303 38 Q HN 0.411 nan 8.270 nan 0.000 0.509 39 P HA -0.028 nan 4.420 nan 0.000 0.271 39 P C -2.145 175.037 177.300 -0.197 0.000 1.233 39 P CA -1.056 61.990 63.100 -0.091 0.000 0.789 39 P CB 0.001 31.660 31.700 -0.068 0.000 0.951 40 P HA -0.193 nan 4.420 nan 0.000 0.218 40 P C 1.089 177.908 177.300 -0.803 0.000 1.148 40 P CA 1.531 64.305 63.100 -0.544 0.000 0.822 40 P CB -0.283 30.984 31.700 -0.722 0.000 0.784 41 D N -0.507 119.258 120.400 -1.059 0.000 2.144 41 D HA -0.149 4.492 4.640 0.001 0.000 0.199 41 D C 1.705 177.852 176.300 -0.254 0.000 0.984 41 D CA 1.232 54.782 54.000 -0.751 0.000 0.834 41 D CB -0.802 39.657 40.800 -0.568 0.000 0.955 41 D HN 0.098 nan 8.370 nan 0.000 0.465 42 I N 0.386 120.850 120.570 -0.177 0.000 2.286 42 I HA -0.120 4.051 4.170 0.001 0.000 0.245 42 I C 2.605 178.688 176.117 -0.057 0.000 1.104 42 I CA 0.308 61.569 61.300 -0.065 0.000 1.397 42 I CB -1.103 36.877 38.000 -0.033 0.000 1.072 42 I HN 0.042 nan 8.210 nan 0.000 0.417 43 L N 0.765 121.938 121.223 -0.084 0.000 2.012 43 L HA -0.110 4.231 4.340 0.001 0.000 0.210 43 L C 2.082 178.914 176.870 -0.063 0.000 1.073 43 L CA 1.912 56.715 54.840 -0.063 0.000 0.748 43 L CB -0.477 41.554 42.059 -0.047 0.000 0.891 43 L HN 0.144 nan 8.230 nan 0.000 0.431 44 L N -1.309 119.889 121.223 -0.041 0.000 2.607 44 L HA 0.303 4.643 4.340 0.001 0.000 0.228 44 L C 1.434 178.341 176.870 0.061 0.000 1.123 44 L CA 0.112 54.978 54.840 0.045 0.000 0.890 44 L CB -0.899 41.243 42.059 0.139 0.000 1.103 44 L HN 0.457 nan 8.230 nan 0.000 0.468 45 G N 1.757 110.577 108.800 0.032 0.000 2.582 45 G HA2 -0.319 3.641 3.960 0.001 0.000 0.300 45 G HA3 -0.319 3.641 3.960 0.001 0.000 0.300 45 G C -1.644 173.313 174.900 0.094 0.000 1.300 45 G CA 0.224 45.361 45.100 0.063 0.000 0.959 45 G HN 0.214 nan 8.290 nan 0.000 0.548 46 P HA 0.015 nan 4.420 nan 0.000 0.225 46 P C 2.115 179.482 177.300 0.113 0.000 1.148 46 P CA 1.020 64.205 63.100 0.141 0.000 0.779 46 P CB -0.041 31.753 31.700 0.156 0.000 0.780 47 L N -1.084 120.171 121.223 0.054 0.000 2.012 47 L HA -0.172 4.168 4.340 0.001 0.000 0.210 47 L C 2.131 178.937 176.870 -0.108 0.000 1.073 47 L CA 1.847 56.554 54.840 -0.221 0.000 0.748 47 L CB -1.474 40.410 42.059 -0.291 0.000 0.891 47 L HN -0.109 nan 8.230 nan 0.000 0.431 48 F N 0.767 120.644 119.950 -0.121 0.000 2.069 48 F HA -0.301 4.226 4.527 0.000 0.000 0.298 48 F C 2.484 178.075 175.800 -0.349 0.000 1.113 48 F CA 2.177 60.086 58.000 -0.153 0.000 1.214 48 F CB -0.674 38.139 39.000 -0.311 0.000 0.978 48 F HN 0.412 nan 8.300 nan 0.000 0.474 49 N N 0.259 118.821 118.700 -0.230 0.000 2.061 49 N HA -0.238 4.502 4.740 0.001 0.000 0.193 49 N C 1.474 176.920 175.510 -0.107 0.000 1.030 49 N CA 2.203 55.165 53.050 -0.148 0.000 0.856 49 N CB -0.436 38.203 38.487 0.253 0.000 1.023 49 N HN 0.280 nan 8.380 nan 0.000 0.424 50 D N -0.598 119.751 120.400 -0.085 0.000 2.117 50 D HA -0.089 4.552 4.640 0.001 0.000 0.198 50 D C 2.072 178.257 176.300 -0.192 0.000 0.982 50 D CA 0.862 54.825 54.000 -0.061 0.000 0.828 50 D CB -0.462 40.365 40.800 0.044 0.000 0.967 50 D HN 0.159 nan 8.370 nan 0.000 0.464 51 V N 1.348 121.031 119.914 -0.386 0.000 2.343 51 V HA -0.216 3.904 4.120 0.001 0.000 0.247 51 V C 2.514 178.327 176.094 -0.468 0.000 1.051 51 V CA 1.376 63.335 62.300 -0.568 0.000 1.036 51 V CB -0.406 30.711 31.823 -1.176 0.000 0.654 51 V HN 0.150 nan 8.190 nan 0.000 0.451 52 Q N 0.222 119.721 119.800 -0.503 0.000 2.050 52 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 52 Q C 2.203 178.157 176.000 -0.077 0.000 0.980 52 Q CA 1.482 57.101 55.803 -0.307 0.000 0.840 52 Q CB -0.686 27.785 28.738 -0.446 0.000 0.898 52 Q HN 0.629 nan 8.270 nan 0.000 0.424 53 N N 0.992 119.682 118.700 -0.016 0.000 2.166 53 N HA -0.104 4.637 4.740 0.001 0.000 0.186 53 N C 1.531 177.031 175.510 -0.015 0.000 1.019 53 N CA 1.329 54.408 53.050 0.047 0.000 0.856 53 N CB -0.337 38.203 38.487 0.087 0.000 0.993 53 N HN 0.257 nan 8.380 nan 0.000 0.426 54 A N 0.995 123.769 122.820 -0.077 0.000 2.172 54 A HA -0.064 4.257 4.320 0.001 0.000 0.216 54 A C 0.525 178.034 177.584 -0.125 0.000 1.154 54 A CA 0.331 52.308 52.037 -0.100 0.000 0.701 54 A CB -0.426 18.491 19.000 -0.138 0.000 0.789 54 A HN 0.328 nan 8.150 nan 0.000 0.465 55 K N -0.803 119.527 120.400 -0.117 0.000 3.311 55 K HA -0.207 4.114 4.320 0.001 0.000 0.270 55 K C 0.412 176.890 176.600 -0.203 0.000 0.927 55 K CA 0.615 56.841 56.287 -0.102 0.000 0.706 55 K CB -1.953 30.525 32.500 -0.037 0.000 1.418 55 K HN 0.578 nan 8.250 nan 0.000 0.459 56 L N -0.732 120.256 121.223 -0.393 0.000 2.191 56 L HA -0.088 4.252 4.340 0.001 0.000 0.212 56 L C 0.740 177.099 176.870 -0.852 0.000 1.103 56 L CA 1.231 55.642 54.840 -0.715 0.000 0.769 56 L CB -0.218 41.151 42.059 -1.150 0.000 0.908 56 L HN 0.169 nan 8.230 nan 0.000 0.438 57 F N -1.385 118.519 119.950 -0.078 0.000 2.551 57 F HA 0.360 4.887 4.527 0.001 0.000 0.316 57 F C -1.467 174.324 175.800 -0.014 0.000 1.089 57 F CA -2.254 55.725 58.000 -0.035 0.000 0.915 57 F CB 0.454 39.441 39.000 -0.023 0.000 1.186 57 F HN -0.310 nan 8.300 nan 0.000 0.456 58 P HA -0.076 nan 4.420 nan 0.000 0.229 58 P C -0.258 177.116 177.300 0.125 0.000 1.160 58 P CA 0.983 64.149 63.100 0.110 0.000 0.777 58 P CB 0.468 32.222 31.700 0.090 0.000 0.814 59 D N -0.013 120.473 120.400 0.143 0.000 2.344 59 D HA 0.074 4.715 4.640 0.001 0.000 0.239 59 D C 1.198 177.571 176.300 0.121 0.000 1.064 59 D CA -0.414 53.657 54.000 0.119 0.000 0.829 59 D CB 1.269 42.111 40.800 0.071 0.000 1.129 59 D HN -0.229 nan 8.370 nan 0.000 0.506 60 Q N 2.729 122.604 119.800 0.125 0.000 2.181 60 Q HA -0.185 4.155 4.340 0.001 0.000 0.205 60 Q C 1.393 177.434 176.000 0.069 0.000 0.980 60 Q CA 1.018 56.891 55.803 0.117 0.000 0.862 60 Q CB 0.052 28.886 28.738 0.159 0.000 0.905 60 Q HN 0.546 nan 8.270 nan 0.000 0.429 61 K N 0.100 120.522 120.400 0.035 0.000 2.209 61 K HA -0.094 4.227 4.320 0.001 0.000 0.204 61 K C 1.896 178.470 176.600 -0.044 0.000 1.048 61 K CA 1.236 57.504 56.287 -0.032 0.000 0.940 61 K CB 0.170 32.652 32.500 -0.030 0.000 0.729 61 K HN 0.087 nan 8.250 nan 0.000 0.451 62 T N 0.486 115.014 114.554 -0.043 0.000 2.652 62 T HA -0.172 4.178 4.350 0.001 0.000 0.267 62 T C 1.292 175.871 174.700 -0.202 0.000 1.039 62 T CA 1.467 63.478 62.100 -0.147 0.000 1.153 62 T CB -0.337 68.407 68.868 -0.207 0.000 0.863 62 T HN 0.251 nan 8.240 nan 0.000 0.428 63 F N 1.767 121.527 119.950 -0.318 0.000 2.325 63 F HA 0.273 4.800 4.527 0.001 0.000 0.299 63 F C 2.324 178.085 175.800 -0.065 0.000 1.090 63 F CA 0.152 57.975 58.000 -0.296 0.000 1.392 63 F CB -0.589 38.258 39.000 -0.255 0.000 1.053 63 F HN 0.126 nan 8.300 nan 0.000 0.521 64 A N -0.475 122.335 122.820 -0.018 0.000 2.024 64 A HA -0.182 4.138 4.320 0.001 0.000 0.220 64 A C 1.605 179.173 177.584 -0.027 0.000 1.164 64 A CA 1.998 54.014 52.037 -0.035 0.000 0.643 64 A CB -0.652 18.156 19.000 -0.319 0.000 0.806 64 A HN 0.352 nan 8.150 nan 0.000 0.451 65 D N -0.427 119.946 120.400 -0.046 0.000 2.340 65 D HA 0.363 5.003 4.640 0.001 0.000 0.217 65 D C 0.631 176.880 176.300 -0.085 0.000 1.081 65 D CA 0.595 54.593 54.000 -0.003 0.000 0.842 65 D CB 0.014 40.827 40.800 0.022 0.000 0.934 65 D HN 0.429 nan 8.370 nan 0.000 0.511 66 A N 0.446 123.134 122.820 -0.220 0.000 2.445 66 A HA 0.346 4.667 4.320 0.001 0.000 0.242 66 A C 0.237 177.808 177.584 -0.022 0.000 1.075 66 A CA -0.169 51.765 52.037 -0.172 0.000 0.777 66 A CB 0.662 19.420 19.000 -0.404 0.000 1.013 66 A HN -0.004 nan 8.150 nan 0.000 0.493 67 V N 4.566 124.540 119.914 0.101 0.000 2.370 67 V HA 0.307 4.427 4.120 0.001 0.000 0.283 67 V C -2.292 173.906 176.094 0.173 0.000 1.023 67 V CA -1.584 60.791 62.300 0.125 0.000 0.857 67 V CB 1.312 33.177 31.823 0.071 0.000 0.985 67 V HN 0.755 nan 8.190 nan 0.000 0.443 68 P HA 0.177 nan 4.420 nan 0.000 0.268 68 P C 0.246 177.455 177.300 -0.150 0.000 1.205 68 P CA -0.013 62.971 63.100 -0.192 0.000 0.771 68 P CB 0.559 32.172 31.700 -0.145 0.000 0.858 69 N N -0.069 118.448 118.700 -0.305 0.000 2.412 69 N HA 0.010 4.751 4.740 0.001 0.000 0.184 69 N C 0.384 175.828 175.510 -0.109 0.000 1.101 69 N CA 0.495 53.448 53.050 -0.161 0.000 0.881 69 N CB 0.017 38.393 38.487 -0.185 0.000 0.969 69 N HN 0.499 nan 8.380 nan 0.000 0.459 70 S N -1.580 114.025 115.700 -0.158 0.000 2.727 70 S HA 0.169 4.639 4.470 0.001 0.000 0.278 70 S C -1.247 173.210 174.600 -0.239 0.000 1.186 70 S CA -0.987 57.154 58.200 -0.098 0.000 0.836 70 S CB 1.636 64.761 63.200 -0.126 0.000 1.186 70 S HN -0.087 nan 8.310 nan 0.000 0.499 71 D N 1.766 122.036 120.400 -0.217 0.000 2.389 71 D HA 0.256 4.897 4.640 0.001 0.000 0.263 71 D C -1.544 174.399 176.300 -0.595 0.000 1.255 71 D CA -1.508 52.171 54.000 -0.535 0.000 0.914 71 D CB 0.925 41.618 40.800 -0.178 0.000 1.116 71 D HN 0.122 nan 8.370 nan 0.000 0.502 72 P HA -0.171 nan 4.420 nan 0.000 0.217 72 P C 1.688 178.823 177.300 -0.275 0.000 1.148 72 P CA 0.686 63.502 63.100 -0.473 0.000 0.834 72 P CB 0.161 31.547 31.700 -0.524 0.000 0.783 73 L N -1.991 119.041 121.223 -0.319 0.000 2.046 73 L HA -0.180 4.160 4.340 0.001 0.000 0.208 73 L C 2.096 178.920 176.870 -0.077 0.000 1.077 73 L CA 1.761 56.513 54.840 -0.148 0.000 0.747 73 L CB -0.444 41.541 42.059 -0.124 0.000 0.896 73 L HN -0.074 nan 8.230 nan 0.000 0.432 74 M N -0.682 118.857 119.600 -0.102 0.000 2.200 74 M HA -0.117 4.364 4.480 0.001 0.000 0.265 74 M C 2.325 178.629 176.300 0.007 0.000 1.066 74 M CA 1.516 56.792 55.300 -0.040 0.000 1.127 74 M CB -0.838 31.732 32.600 -0.050 0.000 1.379 74 M HN 0.295 nan 8.290 nan 0.000 0.420 75 I N 0.227 120.780 120.570 -0.028 0.000 2.163 75 I HA -0.310 3.860 4.170 0.001 0.000 0.243 75 I C 2.422 178.704 176.117 0.275 0.000 1.085 75 I CA 1.014 62.367 61.300 0.089 0.000 1.347 75 I CB -0.549 37.434 38.000 -0.029 0.000 1.044 75 I HN 0.207 nan 8.210 nan 0.000 0.408 76 L N 1.176 122.501 121.223 0.169 0.000 2.093 76 L HA -0.113 4.228 4.340 0.001 0.000 0.208 76 L C 2.547 179.523 176.870 0.177 0.000 1.085 76 L CA 2.014 56.976 54.840 0.202 0.000 0.755 76 L CB -0.734 41.395 42.059 0.116 0.000 0.904 76 L HN 0.173 nan 8.230 nan 0.000 0.435 77 A N -0.824 122.061 122.820 0.109 0.000 1.902 77 A HA -0.259 4.061 4.320 0.001 0.000 0.217 77 A C 2.131 179.770 177.584 0.092 0.000 1.181 77 A CA 1.805 53.886 52.037 0.072 0.000 0.623 77 A CB -0.962 18.063 19.000 0.043 0.000 0.818 77 A HN 0.543 nan 8.150 nan 0.000 0.443 78 D N -1.664 118.835 120.400 0.165 0.000 2.123 78 D HA -0.204 4.436 4.640 0.001 0.000 0.196 78 D C 1.728 178.166 176.300 0.231 0.000 0.992 78 D CA 1.587 55.728 54.000 0.235 0.000 0.833 78 D CB -0.377 40.625 40.800 0.337 0.000 0.954 78 D HN 0.478 nan 8.370 nan 0.000 0.455 79 Y N 1.315 121.656 120.300 0.068 0.000 2.128 79 Y HA -0.175 4.375 4.550 0.001 0.000 0.284 79 Y C 2.156 177.827 175.900 -0.381 0.000 1.154 79 Y CA 1.697 59.561 58.100 -0.394 0.000 1.149 79 Y CB -0.211 38.046 38.460 -0.339 0.000 0.976 79 Y HN -0.131 nan 8.280 nan 0.000 0.505 80 R N -0.273 120.059 120.500 -0.281 0.000 2.096 80 R HA -0.171 4.170 4.340 0.001 0.000 0.235 80 R C 2.416 178.537 176.300 -0.299 0.000 1.127 80 R CA 1.479 57.370 56.100 -0.348 0.000 0.968 80 R CB -1.081 29.130 30.300 -0.148 0.000 0.861 80 R HN 0.447 nan 8.270 nan 0.000 0.440 81 M N 0.993 120.490 119.600 -0.171 0.000 2.099 81 M HA -0.142 4.339 4.480 0.001 0.000 0.262 81 M C 1.685 177.894 176.300 -0.153 0.000 1.067 81 M CA 1.762 56.995 55.300 -0.112 0.000 1.124 81 M CB -0.389 32.197 32.600 -0.023 0.000 1.353 81 M HN 0.125 nan 8.290 nan 0.000 0.410 82 Q N -0.382 119.315 119.800 -0.170 0.000 2.224 82 Q HA -0.176 4.164 4.340 0.001 0.000 0.203 82 Q C 1.952 177.678 176.000 -0.457 0.000 0.970 82 Q CA 1.159 56.881 55.803 -0.135 0.000 0.865 82 Q CB -0.111 28.710 28.738 0.140 0.000 0.922 82 Q HN 0.665 nan 8.270 nan 0.000 0.445 83 Q N 0.361 119.644 119.800 -0.862 0.000 2.170 83 Q HA -0.128 4.212 4.340 0.001 0.000 0.203 83 Q C 0.826 176.583 176.000 -0.405 0.000 0.976 83 Q CA 1.039 56.306 55.803 -0.893 0.000 0.858 83 Q CB 0.012 28.168 28.738 -0.969 0.000 0.907 83 Q HN 0.398 nan 8.270 nan 0.000 0.433 84 N N -0.472 118.054 118.700 -0.290 0.000 2.383 84 N HA -0.003 4.738 4.740 0.001 0.000 0.192 84 N C 0.251 175.706 175.510 -0.090 0.000 1.141 84 N CA 0.185 53.139 53.050 -0.161 0.000 0.851 84 N CB 0.510 38.915 38.487 -0.136 0.000 0.976 84 N HN 0.169 nan 8.380 nan 0.000 0.465 89 D N 6.667 126.581 120.400 -0.810 0.000 2.473 89 D HA 0.199 4.840 4.640 0.001 0.000 0.253 89 D C 0.229 176.089 176.300 -0.733 0.000 1.233 89 D CA -0.356 53.323 54.000 -0.536 0.000 0.908 89 D CB 1.871 42.543 40.800 -0.214 0.000 1.170 89 D HN 0.786 nan 8.370 nan 0.000 0.558 90 L N 4.224 125.124 121.223 -0.538 0.000 2.017 90 L HA -0.087 4.253 4.340 0.001 0.000 0.208 90 L C 2.406 179.228 176.870 -0.080 0.000 1.073 90 L CA 1.068 55.775 54.840 -0.221 0.000 0.745 90 L CB 0.023 42.096 42.059 0.023 0.000 0.894 90 L HN 0.407 nan 8.230 nan 0.000 0.432 91 R N -1.142 119.289 120.500 -0.115 0.000 2.103 91 R HA -0.272 4.069 4.340 0.001 0.000 0.242 91 R C 2.520 178.829 176.300 0.015 0.000 1.142 91 R CA 1.974 58.021 56.100 -0.088 0.000 0.960 91 R CB -0.513 29.717 30.300 -0.116 0.000 0.858 91 R HN 0.582 nan 8.270 nan 0.000 0.439 92 H N -0.731 118.298 119.070 -0.068 0.000 2.363 92 H HA -0.160 4.397 4.556 0.001 0.000 0.301 92 H C 1.859 177.214 175.328 0.044 0.000 1.074 92 H CA 1.727 57.761 56.048 -0.024 0.000 1.354 92 H CB -0.211 29.518 29.762 -0.056 0.000 1.397 92 H HN 0.266 nan 8.280 nan 0.000 0.516 93 F N 1.342 121.205 119.950 -0.145 0.000 2.126 93 F HA -0.218 4.310 4.527 0.001 0.000 0.299 93 F C 2.383 178.221 175.800 0.063 0.000 1.096 93 F CA 1.509 59.486 58.000 -0.038 0.000 1.255 93 F CB -0.531 38.555 39.000 0.143 0.000 0.997 93 F HN -0.042 nan 8.300 nan 0.000 0.479 94 V N 0.786 120.844 119.914 0.240 0.000 2.295 94 V HA -0.341 3.780 4.120 0.001 0.000 0.246 94 V C 2.190 178.434 176.094 0.250 0.000 1.049 94 V CA 2.146 64.632 62.300 0.310 0.000 1.024 94 V CB -0.892 31.012 31.823 0.134 0.000 0.648 94 V HN 0.355 nan 8.190 nan 0.000 0.447 95 N N 0.292 119.043 118.700 0.084 0.000 2.104 95 N HA -0.147 4.593 4.740 0.001 0.000 0.190 95 N C 1.723 177.195 175.510 -0.064 0.000 1.024 95 N CA 1.500 54.571 53.050 0.036 0.000 0.853 95 N CB -0.615 37.875 38.487 0.005 0.000 1.008 95 N HN 0.368 nan 8.380 nan 0.000 0.424 96 V N 1.341 121.116 119.914 -0.232 0.000 2.427 96 V HA -0.099 4.022 4.120 0.001 0.000 0.248 96 V C 1.574 177.505 176.094 -0.272 0.000 1.051 96 V CA 1.318 63.452 62.300 -0.277 0.000 1.048 96 V CB -0.270 31.312 31.823 -0.402 0.000 0.666 96 V HN 0.377 nan 8.190 nan 0.000 0.456 97 N N -1.465 117.034 118.700 -0.336 0.000 2.254 97 N HA 0.189 4.930 4.740 0.001 0.000 0.190 97 N C -0.302 174.735 175.510 -0.788 0.000 1.107 97 N CA 0.271 52.972 53.050 -0.582 0.000 0.869 97 N CB 0.754 38.734 38.487 -0.845 0.000 0.983 97 N HN 0.392 nan 8.380 nan 0.000 0.487 98 F N -0.107 119.816 119.950 -0.044 0.000 2.576 98 F HA 0.330 4.857 4.527 0.001 0.000 0.313 98 F C 0.144 175.951 175.800 0.011 0.000 1.078 98 F CA -0.815 57.195 58.000 0.017 0.000 0.921 98 F CB 1.736 40.814 39.000 0.129 0.000 1.232 98 F HN -0.402 nan 8.300 nan 0.000 0.459 99 T N 3.777 118.434 114.554 0.172 0.000 2.749 99 T HA 0.604 4.955 4.350 0.001 0.000 0.287 99 T C -0.261 174.492 174.700 0.089 0.000 0.970 99 T CA -0.471 61.690 62.100 0.101 0.000 0.980 99 T CB 0.502 69.399 68.868 0.049 0.000 0.924 99 T HN 0.272 nan 8.240 nan 0.000 0.456 100 L N 4.521 125.777 121.223 0.054 0.000 2.379 100 L HA 0.482 4.822 4.340 0.001 0.000 0.269 100 L C -1.795 175.051 176.870 -0.040 0.000 1.084 100 L CA -2.235 52.585 54.840 -0.034 0.000 0.802 100 L CB 0.135 42.141 42.059 -0.088 0.000 1.175 100 L HN 0.397 nan 8.230 nan 0.000 0.448 101 P HA 0.197 nan 4.420 nan 0.000 0.269 101 P C -0.235 177.051 177.300 -0.025 0.000 1.209 101 P CA -0.241 62.836 63.100 -0.040 0.000 0.776 101 P CB 0.361 32.031 31.700 -0.050 0.000 0.876 108 V N 8.135 127.736 119.914 -0.521 0.000 2.376 108 V HA 0.486 4.606 4.120 0.001 0.000 0.287 108 V C -2.150 173.459 176.094 -0.808 0.000 1.015 108 V CA -1.519 60.501 62.300 -0.467 0.000 0.834 108 V CB 1.493 33.178 31.823 -0.229 0.000 1.001 108 V HN 0.609 nan 8.190 nan 0.000 0.428 109 P HA 0.321 nan 4.420 nan 0.000 0.272 109 P C -2.665 174.530 177.300 -0.176 0.000 1.223 109 P CA -1.289 61.564 63.100 -0.412 0.000 0.784 109 P CB 0.080 31.832 31.700 0.087 0.000 0.923 110 P HA 0.021 nan 4.420 nan 0.000 0.269 110 P C 0.204 177.509 177.300 0.009 0.000 1.217 110 P CA 0.186 63.275 63.100 -0.018 0.000 0.783 110 P CB 0.287 32.002 31.700 0.025 0.000 0.898 111 E N 1.316 121.516 120.200 -0.000 0.000 2.384 111 E HA 0.135 4.486 4.350 0.001 0.000 0.266 111 E C 0.977 177.593 176.600 0.027 0.000 1.012 111 E CA 0.832 57.234 56.400 0.002 0.000 0.901 111 E CB -0.089 29.607 29.700 -0.007 0.000 0.967 111 E HN 0.736 nan 8.360 nan 0.000 0.435 112 G N 4.112 112.928 108.800 0.025 0.000 2.225 112 G HA2 -0.313 3.648 3.960 0.001 0.000 0.267 112 G HA3 -0.313 3.648 3.960 0.001 0.000 0.267 112 G C 0.187 175.135 174.900 0.079 0.000 1.024 112 G CA 0.672 45.795 45.100 0.038 0.000 0.784 112 G HN 0.573 nan 8.290 nan 0.000 0.507 113 Q N 0.453 120.332 119.800 0.131 0.000 2.327 113 Q HA 0.478 4.819 4.340 0.001 0.000 0.254 113 Q C 1.194 177.323 176.000 0.216 0.000 0.952 113 Q CA 0.271 56.174 55.803 0.167 0.000 0.884 113 Q CB 0.957 29.822 28.738 0.211 0.000 1.224 113 Q HN 0.674 nan 8.270 nan 0.000 0.422 114 S N 1.222 116.999 115.700 0.128 0.000 2.596 114 S HA 0.013 4.483 4.470 0.001 0.000 0.260 114 S C 0.956 175.530 174.600 -0.043 0.000 1.336 114 S CA -0.651 57.606 58.200 0.094 0.000 0.993 114 S CB 0.507 63.727 63.200 0.034 0.000 0.923 114 S HN 0.666 nan 8.310 nan 0.000 0.567 115 L N 0.886 121.978 121.223 -0.217 0.000 2.012 115 L HA -0.075 4.266 4.340 0.001 0.000 0.210 115 L C 2.803 179.478 176.870 -0.325 0.000 1.073 115 L CA 2.093 56.582 54.840 -0.584 0.000 0.748 115 L CB -0.890 40.931 42.059 -0.398 0.000 0.891 115 L HN 0.909 nan 8.230 nan 0.000 0.431 116 R N -0.566 119.833 120.500 -0.169 0.000 2.081 116 R HA -0.183 4.158 4.340 0.001 0.000 0.235 116 R C 2.211 178.463 176.300 -0.079 0.000 1.131 116 R CA 1.886 57.922 56.100 -0.107 0.000 0.960 116 R CB -0.245 30.020 30.300 -0.059 0.000 0.856 116 R HN 0.543 nan 8.270 nan 0.000 0.436 117 E N -1.140 119.035 120.200 -0.042 0.000 2.077 117 E HA -0.256 4.095 4.350 0.001 0.000 0.193 117 E C 1.875 178.466 176.600 -0.015 0.000 0.989 117 E CA 1.607 58.003 56.400 -0.005 0.000 0.800 117 E CB -0.179 29.543 29.700 0.036 0.000 0.746 117 E HN 0.495 nan 8.360 nan 0.000 0.452 118 H N 0.564 119.559 119.070 -0.125 0.000 2.321 118 H HA -0.087 4.470 4.556 0.001 0.000 0.300 118 H C 1.942 177.142 175.328 -0.213 0.000 1.087 118 H CA 1.813 57.799 56.048 -0.104 0.000 1.319 118 H CB -0.071 29.606 29.762 -0.141 0.000 1.379 118 H HN 0.062 nan 8.280 nan 0.000 0.501 119 I N 0.472 120.900 120.570 -0.237 0.000 2.127 119 I HA -0.283 3.887 4.170 0.001 0.000 0.241 119 I C 1.901 177.616 176.117 -0.670 0.000 1.075 119 I CA 1.632 62.653 61.300 -0.464 0.000 1.334 119 I CB -0.269 37.530 38.000 -0.334 0.000 1.040 119 I HN 0.361 nan 8.210 nan 0.000 0.405 120 D N 0.869 121.064 120.400 -0.343 0.000 2.144 120 D HA -0.139 4.502 4.640 0.001 0.000 0.199 120 D C 2.162 178.342 176.300 -0.199 0.000 0.984 120 D CA 1.571 55.463 54.000 -0.179 0.000 0.834 120 D CB -0.555 40.286 40.800 0.069 0.000 0.955 120 D HN 0.433 nan 8.370 nan 0.000 0.465 121 G N 0.209 108.889 108.800 -0.200 0.000 2.471 121 G HA2 -0.135 3.826 3.960 0.001 0.000 0.219 121 G HA3 -0.135 3.826 3.960 0.001 0.000 0.219 121 G C 1.614 176.367 174.900 -0.246 0.000 1.125 121 G CA -0.012 45.005 45.100 -0.139 0.000 0.775 121 G HN 0.260 nan 8.290 nan 0.000 0.548 122 L N -1.141 119.790 121.223 -0.487 0.000 2.492 122 L HA 0.145 4.486 4.340 0.001 0.000 0.223 122 L C 2.404 179.030 176.870 -0.407 0.000 1.132 122 L CA -0.116 54.392 54.840 -0.553 0.000 0.850 122 L CB -0.162 41.474 42.059 -0.705 0.000 0.966 122 L HN 0.376 nan 8.230 nan 0.000 0.454 123 W N 0.952 122.106 121.300 -0.244 0.000 2.318 123 W HA -0.192 4.468 4.660 -0.000 0.000 0.313 123 W C -0.367 176.004 176.519 -0.247 0.000 1.221 123 W CA 0.433 57.616 57.345 -0.270 0.000 1.266 123 W CB -1.752 27.474 29.460 -0.389 0.000 1.150 123 W HN 0.133 nan 8.180 nan 0.000 0.496 124 P HA -0.158 nan 4.420 nan 0.000 0.217 124 P C 1.597 178.844 177.300 -0.087 0.000 1.150 124 P CA 1.611 64.680 63.100 -0.052 0.000 0.832 124 P CB -0.225 31.451 31.700 -0.040 0.000 0.787 125 V N -0.504 119.323 119.914 -0.145 0.000 2.392 125 V HA -0.203 3.918 4.120 0.001 0.000 0.249 125 V C 2.174 178.170 176.094 -0.164 0.000 1.059 125 V CA 1.627 63.808 62.300 -0.198 0.000 1.051 125 V CB -1.181 30.380 31.823 -0.437 0.000 0.658 125 V HN 0.116 nan 8.190 nan 0.000 0.455 126 L N -0.561 120.580 121.223 -0.137 0.000 2.592 126 L HA 0.109 4.450 4.340 0.001 0.000 0.227 126 L C 0.662 177.496 176.870 -0.060 0.000 1.127 126 L CA 0.091 54.880 54.840 -0.085 0.000 0.884 126 L CB -0.237 41.789 42.059 -0.054 0.000 1.065 126 L HN 0.279 nan 8.230 nan 0.000 0.457 127 T N 1.504 116.005 114.554 -0.089 0.000 2.845 127 T HA 0.441 4.791 4.350 0.001 0.000 0.288 127 T C 0.151 174.712 174.700 -0.231 0.000 0.980 127 T CA -0.517 61.496 62.100 -0.146 0.000 1.071 127 T CB 1.333 70.125 68.868 -0.127 0.000 0.941 127 T HN 0.046 nan 8.240 nan 0.000 0.487 128 R N 1.343 121.579 120.500 -0.440 0.000 2.854 128 R HA 0.720 5.060 4.340 0.001 0.000 0.271 128 R C -0.744 175.144 176.300 -0.688 0.000 0.994 128 R CA -0.904 54.864 56.100 -0.554 0.000 0.945 128 R CB 1.936 31.848 30.300 -0.647 0.000 1.194 128 R HN 0.589 nan 8.270 nan 0.000 0.476 129 S N 0.215 115.667 115.700 -0.414 0.000 2.721 129 S HA 0.363 4.833 4.470 0.001 0.000 0.264 129 S C -1.251 173.266 174.600 -0.138 0.000 1.161 129 S CA -0.403 57.647 58.200 -0.250 0.000 1.113 129 S CB 0.545 63.653 63.200 -0.154 0.000 1.079 129 S HN 0.497 nan 8.310 nan 0.000 0.479 130 T N 4.328 118.859 114.554 -0.037 0.000 3.410 130 T HA 0.266 4.617 4.350 0.001 0.000 0.328 130 T C 0.503 175.224 174.700 0.034 0.000 1.567 130 T CA -0.489 61.628 62.100 0.027 0.000 1.626 130 T CB 0.986 69.898 68.868 0.073 0.000 0.939 130 T HN 0.488 nan 8.240 nan 0.000 0.656 131 E N 1.863 122.055 120.200 -0.013 0.000 2.208 131 E HA 0.044 4.394 4.350 0.001 0.000 0.193 131 E C 0.650 177.225 176.600 -0.041 0.000 0.988 131 E CA 0.754 57.130 56.400 -0.040 0.000 0.828 131 E CB 0.232 29.902 29.700 -0.051 0.000 0.763 131 E HN 0.507 nan 8.360 nan 0.000 0.478 132 N N 0.003 118.684 118.700 -0.031 0.000 2.225 132 N HA 0.282 5.023 4.740 0.001 0.000 0.298 132 N C -0.888 174.605 175.510 -0.028 0.000 1.076 132 N CA -0.340 52.689 53.050 -0.035 0.000 0.792 132 N CB 2.174 40.638 38.487 -0.038 0.000 1.498 132 N HN -0.045 nan 8.380 nan 0.000 0.474 133 T N -2.558 111.975 114.554 -0.035 0.000 2.916 133 T HA 0.401 4.751 4.350 0.001 0.000 0.292 133 T C 0.009 174.679 174.700 -0.050 0.000 1.055 133 T CA -0.814 61.267 62.100 -0.032 0.000 1.009 133 T CB 1.945 70.796 68.868 -0.028 0.000 1.118 133 T HN 0.282 nan 8.240 nan 0.000 0.497 134 E N 0.960 121.136 120.200 -0.039 0.000 2.458 134 E HA 0.351 4.701 4.350 0.001 0.000 0.264 134 E C 0.704 177.243 176.600 -0.103 0.000 1.097 134 E CA -0.014 56.357 56.400 -0.048 0.000 0.973 134 E CB 0.262 29.958 29.700 -0.007 0.000 0.963 134 E HN 0.818 nan 8.360 nan 0.000 0.451 135 K N 1.984 122.280 120.400 -0.173 0.000 2.489 135 K HA -0.089 4.232 4.320 0.001 0.000 0.278 135 K C -0.089 176.370 176.600 -0.234 0.000 1.000 135 K CA 0.817 56.850 56.287 -0.424 0.000 1.012 135 K CB -0.725 nan 32.500 nan 0.000 0.903 135 K HN 0.838 nan 8.250 nan 0.000 0.485 136 W N -1.323 119.960 121.300 -0.029 0.000 2.062 136 W HA -0.196 4.464 4.660 0.001 0.000 0.257 136 W C 0.351 176.850 176.519 -0.034 0.000 1.024 136 W CA 0.298 57.625 57.345 -0.031 0.000 0.471 136 W CB -1.600 27.842 29.460 -0.029 0.000 2.039 136 W HN 0.867 nan 8.180 nan 0.000 1.321 137 D N 0.973 121.430 120.400 0.096 0.000 2.389 137 D HA 0.203 4.844 4.640 0.001 0.000 0.247 137 D C 1.433 177.736 176.300 0.004 0.000 1.128 137 D CA 1.017 55.044 54.000 0.045 0.000 0.884 137 D CB 1.343 42.146 40.800 0.006 0.000 1.194 137 D HN 0.033 nan 8.370 nan 0.000 0.441 138 S N 3.275 118.964 115.700 -0.017 0.000 2.453 138 S HA -0.099 4.372 4.470 0.001 0.000 0.231 138 S C 1.079 175.584 174.600 -0.159 0.000 1.005 138 S CA -0.250 57.897 58.200 -0.089 0.000 0.949 138 S CB -0.051 63.116 63.200 -0.054 0.000 0.774 138 S HN 0.416 nan 8.310 nan 0.000 0.510 139 L N 2.695 123.861 121.223 -0.094 0.000 2.462 139 L HA 0.373 4.713 4.340 0.001 0.000 0.272 139 L C -0.572 176.253 176.870 -0.073 0.000 1.166 139 L CA -0.025 54.763 54.840 -0.087 0.000 0.880 139 L CB 0.262 42.310 42.059 -0.020 0.000 1.142 139 L HN 0.288 nan 8.230 nan 0.000 0.473 140 L N 7.812 128.982 121.223 -0.088 0.000 2.289 140 L HA 0.503 4.844 4.340 0.001 0.000 0.285 140 L C -1.973 174.897 176.870 0.000 0.000 1.049 140 L CA -2.056 52.762 54.840 -0.037 0.000 0.804 140 L CB 1.166 43.202 42.059 -0.039 0.000 1.195 140 L HN 0.522 nan 8.230 nan 0.000 0.428 141 P HA 0.200 nan 4.420 nan 0.000 0.269 141 P C -0.990 176.306 177.300 -0.008 0.000 1.209 141 P CA -0.016 63.090 63.100 0.010 0.000 0.776 141 P CB 1.089 32.785 31.700 -0.007 0.000 0.876 142 L N 3.549 124.744 121.223 -0.047 0.000 2.388 142 L HA 0.367 4.707 4.340 0.001 0.000 0.264 142 L C -1.503 175.264 176.870 -0.172 0.000 0.998 142 L CA -2.144 52.610 54.840 -0.144 0.000 0.817 142 L CB 3.033 45.020 42.059 -0.120 0.000 1.338 142 L HN 0.157 nan 8.230 nan 0.000 0.414 143 P HA -0.001 nan 4.420 nan 0.000 0.229 143 P C -0.171 177.064 177.300 -0.109 0.000 1.160 143 P CA 0.969 63.931 63.100 -0.230 0.000 0.777 143 P CB 0.649 32.164 31.700 -0.308 0.000 0.814 144 E N -0.570 119.588 120.200 -0.069 0.000 2.369 144 E HA 0.444 4.794 4.350 0.001 0.000 0.270 144 E C -2.726 173.889 176.600 0.026 0.000 0.909 144 E CA -2.842 53.541 56.400 -0.027 0.000 0.775 144 E CB 0.830 30.514 29.700 -0.027 0.000 1.270 144 E HN -0.105 nan 8.360 nan 0.000 0.445 145 P HA -0.003 nan 4.420 nan 0.000 0.266 145 P C -1.067 176.229 177.300 -0.007 0.000 1.193 145 P CA 0.631 63.676 63.100 -0.093 0.000 0.770 145 P CB 0.028 31.668 31.700 -0.100 0.000 0.836 146 Y N -1.325 118.917 120.300 -0.097 0.000 2.571 146 Y HA 0.648 5.199 4.550 0.001 0.000 0.341 146 Y C -1.260 174.599 175.900 -0.069 0.000 1.076 146 Y CA -1.664 56.373 58.100 -0.106 0.000 1.029 146 Y CB 0.558 38.938 38.460 -0.134 0.000 1.308 146 Y HN -0.027 nan 8.280 nan 0.000 0.461 147 V N 3.979 123.963 119.914 0.115 0.000 2.465 147 V HA 0.542 4.663 4.120 0.001 0.000 0.279 147 V C 0.304 176.504 176.094 0.177 0.000 1.045 147 V CA -0.543 61.806 62.300 0.082 0.000 0.938 147 V CB 0.996 32.847 31.823 0.048 0.000 0.986 147 V HN 0.851 nan 8.190 nan 0.000 0.467 148 V N 3.540 123.534 119.914 0.134 0.000 3.096 148 V HA 0.566 4.686 4.120 0.001 0.000 0.319 148 V C -2.012 174.051 176.094 -0.053 0.000 1.082 148 V CA -1.791 60.597 62.300 0.146 0.000 1.022 148 V CB 1.391 33.343 31.823 0.216 0.000 1.103 148 V HN 0.589 nan 8.190 nan 0.000 0.455 149 P HA 0.249 nan 4.420 nan 0.000 0.216 149 P C 0.623 177.479 177.300 -0.740 0.000 1.153 149 P CA 1.850 64.499 63.100 -0.753 0.000 0.844 149 P CB -0.133 30.926 31.700 -1.068 0.000 0.787 150 G N -3.557 105.104 108.800 -0.231 0.000 2.334 150 G HA2 0.391 4.352 3.960 0.001 0.000 0.566 150 G HA3 0.391 4.352 3.960 0.001 0.000 0.566 150 G C 0.108 175.114 174.900 0.177 0.000 1.413 150 G CA -0.187 44.901 45.100 -0.019 0.000 0.993 150 G HN 0.419 nan 8.290 nan 0.000 0.642 151 G N 0.785 109.659 108.800 0.124 0.000 2.611 151 G HA2 -0.184 3.777 3.960 0.001 0.000 0.301 151 G HA3 -0.184 3.777 3.960 0.001 0.000 0.301 151 G C 1.540 176.417 174.900 -0.037 0.000 1.233 151 G CA 2.018 47.162 45.100 0.074 0.000 0.993 151 G HN 2.258 nan 8.290 nan 0.000 0.553 152 R N 0.173 120.535 120.500 -0.230 0.000 2.285 152 R HA 0.111 4.451 4.340 0.001 0.000 0.213 152 R C 0.600 176.684 176.300 -0.360 0.000 1.068 152 R CA 1.347 57.232 56.100 -0.359 0.000 1.004 152 R CB -0.288 29.677 30.300 -0.560 0.000 0.873 152 R HN 0.301 nan 8.270 nan 0.000 0.467 153 F N 2.255 122.263 119.950 0.096 0.000 2.451 153 F HA 0.361 4.889 4.527 0.000 0.000 0.356 153 F C 0.521 176.440 175.800 0.198 0.000 1.178 153 F CA -0.824 57.272 58.000 0.160 0.000 1.210 153 F CB 0.855 39.814 39.000 -0.069 0.000 1.504 153 F HN -0.173 nan 8.300 nan 0.000 0.598 154 R N 2.396 123.091 120.500 0.325 0.000 2.893 154 R HA 0.191 4.531 4.340 0.001 0.000 0.317 154 R C -0.232 176.231 176.300 0.271 0.000 1.239 154 R CA -0.125 56.108 56.100 0.222 0.000 1.128 154 R CB 0.073 30.449 30.300 0.127 0.000 1.377 154 R HN 0.481 nan 8.270 nan 0.000 0.583 155 E N -1.102 119.322 120.200 0.373 0.000 2.423 155 E HA 0.121 4.471 4.350 0.001 0.000 0.280 155 E C -1.133 175.622 176.600 0.260 0.000 1.030 155 E CA -0.855 55.705 56.400 0.268 0.000 0.812 155 E CB 0.977 30.736 29.700 0.097 0.000 1.313 155 E HN -0.128 nan 8.360 nan 0.000 0.456 156 V N 1.268 121.157 119.914 -0.041 0.000 2.811 156 V HA 0.258 4.378 4.120 0.001 0.000 0.302 156 V C -1.148 174.936 176.094 -0.017 0.000 1.063 156 V CA 0.100 62.398 62.300 -0.002 0.000 1.088 156 V CB -0.010 31.601 31.823 -0.353 0.000 0.982 156 V HN 0.563 nan 8.190 nan 0.000 0.485 157 Y N 5.391 125.783 120.300 0.152 0.000 2.429 157 Y HA 0.348 4.898 4.550 0.000 0.000 0.342 157 Y C 0.390 176.502 175.900 0.352 0.000 1.004 157 Y CA -0.360 57.837 58.100 0.162 0.000 1.075 157 Y CB 1.249 39.709 38.460 -0.000 0.000 1.214 157 Y HN 0.688 nan 8.280 nan 0.000 0.455 158 Y N 3.244 123.706 120.300 0.270 0.000 2.090 158 Y HA -0.232 4.318 4.550 0.001 0.000 0.274 158 Y C 2.014 178.115 175.900 0.334 0.000 1.110 158 Y CA 2.002 60.202 58.100 0.167 0.000 1.092 158 Y CB -0.768 37.757 38.460 0.109 0.000 0.992 158 Y HN 0.797 nan 8.280 nan 0.000 0.479 159 W N 1.277 122.685 121.300 0.180 0.000 2.436 159 W HA -0.042 4.618 4.660 0.001 0.000 0.284 159 W C 1.339 178.068 176.519 0.351 0.000 1.225 159 W CA 1.096 58.505 57.345 0.105 0.000 1.271 159 W CB -1.528 28.036 29.460 0.173 0.000 1.114 159 W HN 0.150 nan 8.180 nan 0.000 0.559 160 D N 1.380 121.942 120.400 0.271 0.000 2.158 160 D HA -0.200 4.441 4.640 0.001 0.000 0.197 160 D C 2.318 178.797 176.300 0.298 0.000 0.995 160 D CA 2.799 56.889 54.000 0.150 0.000 0.846 160 D CB -0.493 40.129 40.800 -0.297 0.000 0.941 160 D HN 0.044 nan 8.370 nan 0.000 0.456 161 S N -0.687 115.211 115.700 0.329 0.000 2.399 161 S HA -0.184 4.286 4.470 0.001 0.000 0.231 161 S C 1.650 176.397 174.600 0.245 0.000 1.022 161 S CA 0.539 58.944 58.200 0.342 0.000 0.983 161 S CB -0.353 63.214 63.200 0.612 0.000 0.803 161 S HN 0.380 nan 8.310 nan 0.000 0.480 162 Y N 1.514 121.837 120.300 0.037 0.000 2.145 162 Y HA -0.177 4.374 4.550 0.001 0.000 0.286 162 Y C 1.663 177.397 175.900 -0.275 0.000 1.145 162 Y CA 1.468 59.459 58.100 -0.181 0.000 1.148 162 Y CB -0.545 37.659 38.460 -0.427 0.000 0.981 162 Y HN 0.229 nan 8.280 nan 0.000 0.507 163 F N -0.416 119.502 119.950 -0.054 0.000 2.186 163 F HA -0.167 4.360 4.527 0.000 0.000 0.299 163 F C 2.460 178.188 175.800 -0.121 0.000 1.090 163 F CA 1.742 59.661 58.000 -0.134 0.000 1.307 163 F CB -1.222 37.792 39.000 0.024 0.000 1.019 163 F HN -0.083 nan 8.300 nan 0.000 0.489 164 T N 0.247 114.889 114.554 0.148 0.000 2.746 164 T HA -0.231 4.120 4.350 0.001 0.000 0.267 164 T C 1.982 176.576 174.700 -0.177 0.000 1.039 164 T CA 1.617 63.764 62.100 0.077 0.000 1.142 164 T CB -0.372 68.557 68.868 0.102 0.000 0.866 164 T HN 0.191 nan 8.240 nan 0.000 0.444 165 M N 0.447 119.919 119.600 -0.214 0.000 2.229 165 M HA 0.072 4.553 4.480 0.001 0.000 0.264 165 M C 2.062 178.099 176.300 -0.439 0.000 1.063 165 M CA 1.141 56.248 55.300 -0.322 0.000 1.114 165 M CB -0.568 31.924 32.600 -0.180 0.000 1.387 165 M HN 0.168 nan 8.290 nan 0.000 0.420 166 L N -0.568 120.372 121.223 -0.472 0.000 2.042 166 L HA -0.165 4.176 4.340 0.001 0.000 0.210 166 L C 2.624 179.283 176.870 -0.352 0.000 1.076 166 L CA 1.419 55.993 54.840 -0.443 0.000 0.749 166 L CB -1.338 40.424 42.059 -0.494 0.000 0.893 166 L HN 0.432 nan 8.230 nan 0.000 0.432 167 G N -0.089 108.556 108.800 -0.259 0.000 2.402 167 G HA2 -0.165 3.795 3.960 0.001 0.000 0.216 167 G HA3 -0.165 3.795 3.960 0.001 0.000 0.216 167 G C 1.646 176.375 174.900 -0.285 0.000 1.162 167 G CA 0.373 45.424 45.100 -0.081 0.000 0.777 167 G HN 0.193 nan 8.290 nan 0.000 0.539 168 L N 0.722 121.518 121.223 -0.711 0.000 2.017 168 L HA -0.061 4.280 4.340 0.001 0.000 0.208 168 L C 3.434 179.882 176.870 -0.703 0.000 1.073 168 L CA 1.147 55.455 54.840 -0.887 0.000 0.745 168 L CB -0.437 41.087 42.059 -0.890 0.000 0.894 168 L HN 0.295 nan 8.230 nan 0.000 0.432 169 A N -0.520 121.789 122.820 -0.852 0.000 1.865 169 A HA -0.262 4.058 4.320 0.001 0.000 0.217 169 A C 2.309 179.432 177.584 -0.769 0.000 1.191 169 A CA 1.827 53.054 52.037 -1.350 0.000 0.623 169 A CB -0.633 17.536 19.000 -1.385 0.000 0.826 169 A HN 0.418 nan 8.150 nan 0.000 0.444 170 E N 0.698 120.655 120.200 -0.404 0.000 2.130 170 E HA -0.181 4.170 4.350 0.001 0.000 0.196 170 E C 1.754 178.281 176.600 -0.122 0.000 0.998 170 E CA 1.753 58.049 56.400 -0.174 0.000 0.806 170 E CB -0.188 29.444 29.700 -0.114 0.000 0.738 170 E HN 0.656 nan 8.360 nan 0.000 0.459 171 S N -1.698 113.923 115.700 -0.133 0.000 2.614 171 S HA 0.362 4.832 4.470 0.001 0.000 0.230 171 S C 1.197 175.644 174.600 -0.255 0.000 0.952 171 S CA 0.451 58.626 58.200 -0.043 0.000 0.949 171 S CB 0.579 63.915 63.200 0.227 0.000 0.786 171 S HN 0.384 nan 8.310 nan 0.000 0.478 172 G N 1.694 110.282 108.800 -0.353 0.000 2.175 172 G HA2 -0.213 3.748 3.960 0.001 0.000 0.244 172 G HA3 -0.213 3.748 3.960 0.001 0.000 0.244 172 G C 0.012 174.620 174.900 -0.487 0.000 0.982 172 G CA 0.005 44.894 45.100 -0.352 0.000 0.641 172 G HN 0.673 nan 8.290 nan 0.000 0.527 173 H N -0.573 118.260 119.070 -0.395 0.000 2.640 173 H HA 0.309 4.865 4.556 0.000 0.000 0.220 173 H C 1.125 176.228 175.328 -0.376 0.000 1.852 173 H CA -0.609 55.238 56.048 -0.334 0.000 1.275 173 H CB -0.432 29.087 29.762 -0.403 0.000 1.675 173 H HN 0.612 nan 8.280 nan 0.000 0.523 174 W N 0.747 121.935 121.300 -0.186 0.000 2.374 174 W HA -0.126 4.534 4.660 0.000 0.000 0.288 174 W C 1.584 178.028 176.519 -0.125 0.000 1.218 174 W CA 0.353 57.561 57.345 -0.229 0.000 1.245 174 W CB 0.181 29.359 29.460 -0.470 0.000 1.126 174 W HN 0.310 nan 8.180 nan 0.000 0.545 175 D N 0.233 120.706 120.400 0.120 0.000 2.123 175 D HA -0.204 4.436 4.640 0.001 0.000 0.196 175 D C 1.868 178.187 176.300 0.031 0.000 0.992 175 D CA 1.439 55.486 54.000 0.078 0.000 0.833 175 D CB -0.387 40.450 40.800 0.060 0.000 0.954 175 D HN -0.024 nan 8.370 nan 0.000 0.455 176 K N 0.367 120.751 120.400 -0.026 0.000 2.097 176 K HA -0.048 4.272 4.320 0.001 0.000 0.205 176 K C 1.938 178.492 176.600 -0.078 0.000 1.050 176 K CA 0.449 56.685 56.287 -0.085 0.000 0.938 176 K CB -0.412 31.973 32.500 -0.191 0.000 0.718 176 K HN -0.031 nan 8.250 nan 0.000 0.442 177 V N 0.730 120.590 119.914 -0.090 0.000 2.287 177 V HA -0.277 3.844 4.120 0.001 0.000 0.248 177 V C 2.280 178.412 176.094 0.064 0.000 1.053 177 V CA 2.107 64.381 62.300 -0.043 0.000 1.027 177 V CB -0.906 30.878 31.823 -0.066 0.000 0.646 177 V HN 0.449 nan 8.190 nan 0.000 0.447 178 A N -0.297 122.590 122.820 0.112 0.000 1.933 178 A HA -0.253 4.067 4.320 0.001 0.000 0.218 178 A C 1.978 179.615 177.584 0.088 0.000 1.175 178 A CA 1.979 54.094 52.037 0.130 0.000 0.628 178 A CB -0.656 18.434 19.000 0.150 0.000 0.814 178 A HN 0.546 nan 8.150 nan 0.000 0.444 179 D N -0.298 120.130 120.400 0.046 0.000 2.106 179 D HA -0.174 4.466 4.640 0.001 0.000 0.191 179 D C 2.044 178.331 176.300 -0.022 0.000 0.997 179 D CA 1.471 55.479 54.000 0.013 0.000 0.834 179 D CB -0.311 40.484 40.800 -0.009 0.000 0.956 179 D HN 0.291 nan 8.370 nan 0.000 0.448 180 M N 0.282 119.863 119.600 -0.033 0.000 2.086 180 M HA -0.102 4.379 4.480 0.001 0.000 0.261 180 M C 2.466 178.741 176.300 -0.041 0.000 1.067 180 M CA 0.679 55.913 55.300 -0.109 0.000 1.116 180 M CB -0.952 31.648 32.600 -0.001 0.000 1.348 180 M HN -0.072 nan 8.290 nan 0.000 0.407 181 V N 0.867 120.845 119.914 0.105 0.000 2.287 181 V HA -0.284 3.837 4.120 0.001 0.000 0.248 181 V C 2.770 178.902 176.094 0.064 0.000 1.053 181 V CA 2.060 64.440 62.300 0.133 0.000 1.027 181 V CB -1.510 30.264 31.823 -0.081 0.000 0.646 181 V HN 0.508 nan 8.190 nan 0.000 0.447 182 A N 0.265 123.118 122.820 0.055 0.000 1.908 182 A HA -0.261 4.059 4.320 0.001 0.000 0.218 182 A C 2.084 179.710 177.584 0.069 0.000 1.181 182 A CA 2.169 54.286 52.037 0.134 0.000 0.627 182 A CB -0.720 18.364 19.000 0.140 0.000 0.818 182 A HN 0.602 nan 8.150 nan 0.000 0.445 183 N N -0.581 118.078 118.700 -0.068 0.000 2.084 183 N HA -0.131 4.609 4.740 0.001 0.000 0.190 183 N C 1.361 176.788 175.510 -0.139 0.000 1.030 183 N CA 1.550 54.491 53.050 -0.181 0.000 0.849 183 N CB -0.628 37.618 38.487 -0.401 0.000 1.012 183 N HN 0.472 nan 8.380 nan 0.000 0.423 184 F N 1.289 121.231 119.950 -0.014 0.000 2.186 184 F HA 0.031 4.559 4.527 0.001 0.000 0.299 184 F C 2.382 177.988 175.800 -0.322 0.000 1.090 184 F CA 0.558 58.460 58.000 -0.163 0.000 1.307 184 F CB -0.998 37.954 39.000 -0.080 0.000 1.019 184 F HN 0.004 nan 8.300 nan 0.000 0.489 185 A N -0.643 122.185 122.820 0.013 0.000 1.933 185 A HA -0.278 4.042 4.320 0.001 0.000 0.218 185 A C 2.036 179.622 177.584 0.003 0.000 1.175 185 A CA 2.063 54.097 52.037 -0.004 0.000 0.628 185 A CB -1.287 17.924 19.000 0.352 0.000 0.814 185 A HN 0.533 nan 8.150 nan 0.000 0.444 186 H N -0.109 118.931 119.070 -0.050 0.000 2.353 186 H HA -0.079 4.478 4.556 0.001 0.000 0.300 186 H C 1.900 177.102 175.328 -0.209 0.000 1.090 186 H CA 1.987 57.971 56.048 -0.107 0.000 1.327 186 H CB -0.088 29.615 29.762 -0.098 0.000 1.383 186 H HN 0.606 nan 8.280 nan 0.000 0.508 187 E N 0.108 120.189 120.200 -0.197 0.000 2.077 187 E HA -0.138 4.213 4.350 0.001 0.000 0.193 187 E C 2.331 178.734 176.600 -0.330 0.000 0.989 187 E CA 1.309 57.553 56.400 -0.259 0.000 0.800 187 E CB -0.008 29.694 29.700 0.004 0.000 0.746 187 E HN 0.571 nan 8.360 nan 0.000 0.452 188 I N 1.356 121.747 120.570 -0.297 0.000 2.226 188 I HA -0.263 3.908 4.170 0.001 0.000 0.245 188 I C 2.274 178.249 176.117 -0.236 0.000 1.100 188 I CA 1.261 62.398 61.300 -0.273 0.000 1.374 188 I CB -0.193 37.636 38.000 -0.284 0.000 1.057 188 I HN 0.047 nan 8.210 nan 0.000 0.413 189 D N 0.260 120.508 120.400 -0.254 0.000 2.178 189 D HA -0.166 4.474 4.640 0.001 0.000 0.202 189 D C 2.169 178.268 176.300 -0.334 0.000 0.974 189 D CA 1.883 55.746 54.000 -0.230 0.000 0.841 189 D CB 0.134 40.825 40.800 -0.182 0.000 0.953 189 D HN 0.393 nan 8.370 nan 0.000 0.478 190 T N -3.059 111.150 114.554 -0.574 0.000 3.031 190 T HA -0.027 4.324 4.350 0.001 0.000 0.254 190 T C 1.455 175.785 174.700 -0.617 0.000 1.060 190 T CA 0.410 62.090 62.100 -0.700 0.000 1.135 190 T CB -0.386 67.835 68.868 -1.077 0.000 0.896 190 T HN 0.095 nan 8.240 nan 0.000 0.472 191 Y N 1.089 121.214 120.300 -0.291 0.000 2.462 191 Y HA 0.557 5.107 4.550 0.001 0.000 0.253 191 Y C 2.182 177.938 175.900 -0.241 0.000 1.095 191 Y CA -0.646 57.277 58.100 -0.296 0.000 1.283 191 Y CB 0.109 38.287 38.460 -0.469 0.000 1.138 191 Y HN 0.406 nan 8.280 nan 0.000 0.522 192 G N 0.044 108.778 108.800 -0.110 0.000 2.194 192 G HA2 -0.221 3.739 3.960 0.001 0.000 0.236 192 G HA3 -0.221 3.739 3.960 0.001 0.000 0.236 192 G C 0.079 174.925 174.900 -0.090 0.000 0.987 192 G CA 0.255 45.335 45.100 -0.033 0.000 0.635 192 G HN 0.609 nan 8.290 nan 0.000 0.520 193 H N -1.633 117.233 119.070 -0.340 0.000 2.932 193 H HA 0.551 5.107 4.556 0.001 0.000 0.307 193 H C -1.175 173.892 175.328 -0.435 0.000 1.391 193 H CA -1.131 54.537 56.048 -0.633 0.000 1.130 193 H CB 0.607 29.403 29.762 -1.610 0.000 1.836 193 H HN 0.186 nan 8.280 nan 0.000 0.522 194 I N 3.392 123.710 120.570 -0.420 0.000 2.312 194 I HA 0.203 4.373 4.170 0.001 0.000 0.291 194 I C -2.162 173.812 176.117 -0.238 0.000 1.031 194 I CA -1.827 59.204 61.300 -0.449 0.000 1.293 194 I CB 1.550 39.004 38.000 -0.910 0.000 1.403 194 I HN 0.251 nan 8.210 nan 0.000 0.484 195 P HA 0.043 nan 4.420 nan 0.000 0.274 195 P C 0.238 177.522 177.300 -0.027 0.000 1.246 195 P CA -0.200 62.854 63.100 -0.077 0.000 0.795 195 P CB 0.845 32.416 31.700 -0.215 0.000 1.006 196 N N -0.056 118.626 118.700 -0.029 0.000 2.096 196 N HA -0.148 4.593 4.740 0.001 0.000 0.195 196 N C 0.831 176.105 175.510 -0.393 0.000 1.017 196 N CA 1.621 54.555 53.050 -0.192 0.000 0.870 196 N CB -0.153 38.069 38.487 -0.443 0.000 1.024 196 N HN 0.662 nan 8.380 nan 0.000 0.434 197 G N -1.079 107.495 108.800 -0.376 0.000 2.600 197 G HA2 0.122 4.082 3.960 0.001 0.000 0.293 197 G HA3 0.122 4.082 3.960 0.001 0.000 0.293 197 G C -1.558 173.278 174.900 -0.107 0.000 1.408 197 G CA -0.637 44.268 45.100 -0.326 0.000 0.782 197 G HN 0.357 nan 8.290 nan 0.000 0.482 198 N N 1.005 119.596 118.700 -0.181 0.000 3.254 198 N HA 0.149 4.889 4.740 0.001 0.000 0.308 198 N C -0.318 175.049 175.510 -0.238 0.000 1.281 198 N CA -0.062 52.870 53.050 -0.197 0.000 1.212 198 N CB 0.298 38.645 38.487 -0.234 0.000 1.478 198 N HN 0.258 nan 8.380 nan 0.000 0.548 199 R N 0.024 120.327 120.500 -0.328 0.000 2.686 199 R HA 0.202 4.542 4.340 0.001 0.000 0.283 199 R C 1.080 177.018 176.300 -0.603 0.000 0.978 199 R CA -0.461 55.244 56.100 -0.658 0.000 0.897 199 R CB 1.686 31.100 30.300 -1.477 0.000 1.192 199 R HN 0.422 nan 8.270 nan 0.000 0.457 200 S N 1.546 116.948 115.700 -0.496 0.000 2.387 200 S HA -0.248 4.222 4.470 0.001 0.000 0.230 200 S C 1.725 176.175 174.600 -0.251 0.000 1.035 200 S CA 1.785 59.798 58.200 -0.312 0.000 1.014 200 S CB -0.630 62.463 63.200 -0.179 0.000 0.836 200 S HN 0.750 nan 8.310 nan 0.000 0.466 201 Y N -0.892 119.270 120.300 -0.229 0.000 2.616 201 Y HA 0.324 4.875 4.550 0.001 0.000 0.296 201 Y C 1.359 177.204 175.900 -0.093 0.000 1.154 201 Y CA -0.332 57.647 58.100 -0.202 0.000 1.325 201 Y CB -0.842 37.463 38.460 -0.258 0.000 1.007 201 Y HN 0.187 nan 8.280 nan 0.000 0.542 202 Y N 0.004 120.231 120.300 -0.122 0.000 2.458 202 Y HA 0.268 4.818 4.550 0.001 0.000 0.256 202 Y C 1.748 177.595 175.900 -0.088 0.000 1.159 202 Y CA -0.960 57.101 58.100 -0.065 0.000 1.261 202 Y CB -0.267 38.097 38.460 -0.160 0.000 1.119 202 Y HN 0.235 nan 8.280 nan 0.000 0.524 203 L N -0.265 120.953 121.223 -0.008 0.000 2.201 203 L HA -0.175 4.165 4.340 0.001 0.000 0.212 203 L C 2.216 179.148 176.870 0.103 0.000 1.105 203 L CA 1.606 56.397 54.840 -0.081 0.000 0.775 203 L CB -0.384 41.536 42.059 -0.232 0.000 0.913 203 L HN 0.237 nan 8.230 nan 0.000 0.440 204 S N -0.062 115.687 115.700 0.082 0.000 2.603 204 S HA -0.028 4.443 4.470 0.001 0.000 0.229 204 S C 0.736 175.359 174.600 0.038 0.000 0.972 204 S CA -0.305 57.933 58.200 0.064 0.000 0.935 204 S CB -0.260 62.961 63.200 0.035 0.000 0.769 204 S HN 0.537 nan 8.310 nan 0.000 0.536 205 R N -1.451 119.095 120.500 0.077 0.000 2.781 205 R HA 0.760 5.101 4.340 0.001 0.000 0.269 205 R C -0.342 176.002 176.300 0.074 0.000 1.025 205 R CA -0.732 55.390 56.100 0.037 0.000 0.914 205 R CB 0.960 31.284 30.300 0.041 0.000 1.236 205 R HN -0.021 nan 8.270 nan 0.000 0.465 206 S N -0.929 114.825 115.700 0.090 0.000 3.339 206 S HA 0.466 4.937 4.470 0.001 0.000 0.221 206 S C -0.683 174.101 174.600 0.307 0.000 1.059 206 S CA -0.456 57.879 58.200 0.224 0.000 1.365 206 S CB 0.885 64.211 63.200 0.210 0.000 1.065 206 S HN 0.611 nan 8.310 nan 0.000 0.618 207 Q N -0.440 119.678 119.800 0.530 0.000 2.782 207 Q HA 0.357 4.697 4.340 0.001 0.000 0.308 207 Q C -2.952 173.222 176.000 0.289 0.000 0.883 207 Q CA -1.837 54.121 55.803 0.257 0.000 0.755 207 Q CB 1.723 30.575 28.738 0.190 0.000 1.454 207 Q HN 0.285 nan 8.270 nan 0.000 0.452 208 P HA 0.037 nan 4.420 nan 0.000 0.262 208 P C -2.510 174.783 177.300 -0.012 0.000 1.199 208 P CA -0.516 62.600 63.100 0.027 0.000 0.763 208 P CB -0.067 31.561 31.700 -0.120 0.000 0.790 209 P HA 0.148 nan 4.420 nan 0.000 0.279 209 P C -0.524 176.654 177.300 -0.204 0.000 1.318 209 P CA 0.165 63.213 63.100 -0.086 0.000 0.819 209 P CB 0.049 31.654 31.700 -0.159 0.000 0.927 210 F N 1.348 121.181 119.950 -0.194 0.000 2.706 210 F HA 0.183 4.711 4.527 0.001 0.000 0.313 210 F C 1.869 177.747 175.800 0.131 0.000 1.096 210 F CA -0.287 57.663 58.000 -0.082 0.000 1.219 210 F CB -0.053 38.857 39.000 -0.150 0.000 1.051 210 F HN 0.118 nan 8.300 nan 0.000 0.568 211 F N 1.588 121.770 119.950 0.386 0.000 2.095 211 F HA -0.227 4.300 4.527 0.000 0.000 0.298 211 F C 2.307 178.198 175.800 0.152 0.000 1.104 211 F CA 1.737 59.900 58.000 0.271 0.000 1.232 211 F CB -0.560 38.572 39.000 0.219 0.000 0.987 211 F HN -0.049 nan 8.300 nan 0.000 0.475 212 A N 0.162 123.007 122.820 0.042 0.000 1.940 212 A HA -0.159 4.161 4.320 0.001 0.000 0.219 212 A C 2.059 179.552 177.584 -0.151 0.000 1.176 212 A CA 1.937 53.894 52.037 -0.133 0.000 0.631 212 A CB -1.131 17.830 19.000 -0.064 0.000 0.814 212 A HN 0.430 nan 8.150 nan 0.000 0.446 213 L N -1.064 120.090 121.223 -0.115 0.000 2.141 213 L HA -0.085 4.256 4.340 0.001 0.000 0.209 213 L C 2.678 179.640 176.870 0.154 0.000 1.094 213 L CA 1.528 56.316 54.840 -0.087 0.000 0.763 213 L CB -0.574 41.265 42.059 -0.367 0.000 0.908 213 L HN 0.365 nan 8.230 nan 0.000 0.437 214 M N -1.652 118.053 119.600 0.175 0.000 2.117 214 M HA -0.174 4.306 4.480 0.001 0.000 0.262 214 M C 2.224 178.540 176.300 0.026 0.000 1.065 214 M CA 1.228 56.671 55.300 0.238 0.000 1.114 214 M CB -0.385 32.349 32.600 0.223 0.000 1.361 214 M HN 0.065 nan 8.290 nan 0.000 0.408 215 V N 0.161 119.951 119.914 -0.207 0.000 2.343 215 V HA -0.220 3.901 4.120 0.001 0.000 0.247 215 V C 2.337 178.423 176.094 -0.014 0.000 1.051 215 V CA 1.663 63.849 62.300 -0.190 0.000 1.036 215 V CB -0.714 30.914 31.823 -0.326 0.000 0.654 215 V HN 0.419 nan 8.190 nan 0.000 0.451 216 E N -0.127 120.072 120.200 -0.002 0.000 2.110 216 E HA -0.224 4.127 4.350 0.001 0.000 0.193 216 E C 2.130 178.806 176.600 0.126 0.000 0.988 216 E CA 1.170 57.598 56.400 0.048 0.000 0.804 216 E CB -0.337 29.379 29.700 0.027 0.000 0.745 216 E HN 0.469 nan 8.360 nan 0.000 0.458 217 L N 0.925 122.266 121.223 0.198 0.000 2.012 217 L HA -0.175 4.165 4.340 0.001 0.000 0.210 217 L C 2.306 179.372 176.870 0.326 0.000 1.073 217 L CA 1.357 56.358 54.840 0.269 0.000 0.748 217 L CB -0.706 41.505 42.059 0.253 0.000 0.891 217 L HN 0.101 nan 8.230 nan 0.000 0.431 218 L N 0.012 121.393 121.223 0.263 0.000 2.083 218 L HA -0.084 4.256 4.340 0.001 0.000 0.209 218 L C 2.520 179.454 176.870 0.107 0.000 1.083 218 L CA 2.004 56.992 54.840 0.246 0.000 0.752 218 L CB -1.229 40.946 42.059 0.194 0.000 0.899 218 L HN 0.346 nan 8.230 nan 0.000 0.433 219 A N -1.425 121.447 122.820 0.087 0.000 2.019 219 A HA -0.253 4.067 4.320 0.001 0.000 0.219 219 A C 2.157 179.744 177.584 0.005 0.000 1.164 219 A CA 1.634 53.691 52.037 0.034 0.000 0.644 219 A CB -0.486 18.533 19.000 0.031 0.000 0.805 219 A HN 0.650 nan 8.150 nan 0.000 0.449 220 Q N -1.905 117.924 119.800 0.049 0.000 2.170 220 Q HA -0.216 4.125 4.340 0.001 0.000 0.203 220 Q C 1.973 177.921 176.000 -0.086 0.000 0.976 220 Q CA 1.764 57.590 55.803 0.038 0.000 0.858 220 Q CB -0.200 28.635 28.738 0.162 0.000 0.907 220 Q HN 0.939 nan 8.270 nan 0.000 0.433 221 H N 0.135 118.967 119.070 -0.396 0.000 2.399 221 H HA 0.075 4.631 4.556 0.001 0.000 0.300 221 H C 1.225 176.315 175.328 -0.397 0.000 1.048 221 H CA 1.018 56.655 56.048 -0.685 0.000 1.370 221 H CB 0.559 29.325 29.762 -1.660 0.000 1.428 221 H HN 0.132 nan 8.280 nan 0.000 0.534 222 E N -0.256 119.814 120.200 -0.216 0.000 2.452 222 E HA 0.195 4.545 4.350 0.001 0.000 0.197 222 E C 0.823 177.351 176.600 -0.120 0.000 1.022 222 E CA 0.221 56.526 56.400 -0.157 0.000 0.890 222 E CB 0.771 30.445 29.700 -0.043 0.000 0.918 222 E HN 0.571 nan 8.360 nan 0.000 0.496 223 G N 2.014 110.752 108.800 -0.103 0.000 2.693 223 G HA2 -0.276 3.685 3.960 0.001 0.000 0.226 223 G HA3 -0.276 3.685 3.960 0.001 0.000 0.226 223 G C 0.030 174.910 174.900 -0.034 0.000 1.354 223 G CA -0.080 44.981 45.100 -0.066 0.000 0.873 223 G HN 0.171 nan 8.290 nan 0.000 0.562 224 D N 0.566 120.949 120.400 -0.029 0.000 2.350 224 D HA 0.071 4.712 4.640 0.001 0.000 0.216 224 D C 2.623 178.916 176.300 -0.011 0.000 0.968 224 D CA 1.438 55.428 54.000 -0.017 0.000 0.894 224 D CB -0.414 40.374 40.800 -0.020 0.000 0.909 224 D HN 0.830 nan 8.370 nan 0.000 0.520 225 A N 1.541 124.351 122.820 -0.017 0.000 1.927 225 A HA -0.226 4.094 4.320 0.001 0.000 0.220 225 A C 2.397 179.982 177.584 0.002 0.000 1.185 225 A CA 2.262 54.290 52.037 -0.016 0.000 0.639 225 A CB -0.604 18.384 19.000 -0.021 0.000 0.820 225 A HN 0.284 nan 8.150 nan 0.000 0.451 226 A N -0.459 122.384 122.820 0.039 0.000 1.902 226 A HA -0.015 4.306 4.320 0.001 0.000 0.217 226 A C 2.176 179.835 177.584 0.125 0.000 1.181 226 A CA 1.483 53.592 52.037 0.120 0.000 0.623 226 A CB -0.566 18.513 19.000 0.132 0.000 0.818 226 A HN 0.501 nan 8.150 nan 0.000 0.443 227 L N -0.762 120.495 121.223 0.056 0.000 2.046 227 L HA -0.204 4.137 4.340 0.001 0.000 0.208 227 L C 2.589 179.477 176.870 0.030 0.000 1.077 227 L CA 1.762 56.624 54.840 0.037 0.000 0.747 227 L CB -0.531 41.528 42.059 0.000 0.000 0.896 227 L HN 0.354 nan 8.230 nan 0.000 0.432 228 K N -0.151 120.251 120.400 0.004 0.000 2.026 228 K HA -0.244 4.077 4.320 0.001 0.000 0.208 228 K C 2.164 178.740 176.600 -0.039 0.000 1.048 228 K CA 1.464 57.743 56.287 -0.013 0.000 0.929 228 K CB -0.176 32.310 32.500 -0.023 0.000 0.713 228 K HN 0.278 nan 8.250 nan 0.000 0.439 229 Q N -0.089 119.654 119.800 -0.095 0.000 2.084 229 Q HA -0.170 4.170 4.340 0.001 0.000 0.202 229 Q C 0.819 176.622 176.000 -0.327 0.000 0.978 229 Q CA 1.620 57.267 55.803 -0.259 0.000 0.844 229 Q CB 0.106 28.599 28.738 -0.409 0.000 0.898 229 Q HN 0.366 nan 8.270 nan 0.000 0.426 230 Y N -0.498 119.847 120.300 0.074 0.000 2.524 230 Y HA 0.071 4.622 4.550 0.000 0.000 0.266 230 Y C 1.179 177.158 175.900 0.133 0.000 1.180 230 Y CA -0.348 57.835 58.100 0.138 0.000 1.244 230 Y CB 0.313 38.865 38.460 0.152 0.000 1.125 230 Y HN 0.192 nan 8.280 nan 0.000 0.524 231 L N 1.898 123.215 121.223 0.157 0.000 2.042 231 L HA -0.090 4.251 4.340 0.001 0.000 0.210 231 L C -0.924 176.031 176.870 0.142 0.000 1.076 231 L CA 2.130 57.037 54.840 0.112 0.000 0.749 231 L CB -1.371 40.721 42.059 0.055 0.000 0.893 231 L HN -0.015 nan 8.230 nan 0.000 0.432 232 P HA -0.150 nan 4.420 nan 0.000 0.216 232 P C 1.417 178.819 177.300 0.170 0.000 1.153 232 P CA 1.400 64.578 63.100 0.130 0.000 0.848 232 P CB 0.024 31.779 31.700 0.092 0.000 0.787 233 Q N -1.489 118.455 119.800 0.239 0.000 2.123 233 Q HA -0.003 4.337 4.340 0.001 0.000 0.199 233 Q C 2.224 178.407 176.000 0.306 0.000 0.966 233 Q CA 1.360 57.310 55.803 0.244 0.000 0.845 233 Q CB -0.764 28.157 28.738 0.305 0.000 0.907 233 Q HN 0.246 nan 8.270 nan 0.000 0.439 234 M N -0.068 119.784 119.600 0.421 0.000 2.159 234 M HA -0.218 4.262 4.480 0.001 0.000 0.263 234 M C 2.047 178.497 176.300 0.248 0.000 1.063 234 M CA 1.503 57.029 55.300 0.376 0.000 1.110 234 M CB -0.201 32.531 32.600 0.220 0.000 1.374 234 M HN 0.274 nan 8.290 nan 0.000 0.411 235 Q N -0.086 119.832 119.800 0.196 0.000 2.084 235 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 235 Q C 2.060 178.223 176.000 0.271 0.000 0.978 235 Q CA 1.202 57.141 55.803 0.227 0.000 0.844 235 Q CB -0.122 28.739 28.738 0.206 0.000 0.898 235 Q HN 0.170 nan 8.270 nan 0.000 0.426 236 K N 1.362 121.888 120.400 0.210 0.000 2.097 236 K HA -0.164 4.156 4.320 0.001 0.000 0.205 236 K C 1.688 178.417 176.600 0.215 0.000 1.050 236 K CA 1.371 57.762 56.287 0.173 0.000 0.938 236 K CB -0.115 32.445 32.500 0.099 0.000 0.718 236 K HN 0.169 nan 8.250 nan 0.000 0.442 237 E N -1.194 119.153 120.200 0.246 0.000 2.077 237 E HA -0.223 4.127 4.350 0.001 0.000 0.193 237 E C 1.724 178.654 176.600 0.550 0.000 0.989 237 E CA 1.033 57.643 56.400 0.351 0.000 0.800 237 E CB -0.235 29.681 29.700 0.360 0.000 0.746 237 E HN 0.383 nan 8.360 nan 0.000 0.452 238 Y N 0.768 121.272 120.300 0.340 0.000 2.224 238 Y HA -0.193 4.357 4.550 0.001 0.000 0.289 238 Y C 2.029 178.098 175.900 0.281 0.000 1.146 238 Y CA 1.487 59.779 58.100 0.321 0.000 1.182 238 Y CB -0.568 38.017 38.460 0.208 0.000 0.983 238 Y HN 0.108 nan 8.280 nan 0.000 0.524 239 A N -0.649 122.308 122.820 0.228 0.000 1.933 239 A HA -0.245 4.075 4.320 0.001 0.000 0.218 239 A C 2.146 179.761 177.584 0.053 0.000 1.175 239 A CA 1.659 53.747 52.037 0.086 0.000 0.628 239 A CB -1.551 17.527 19.000 0.131 0.000 0.814 239 A HN 0.692 nan 8.150 nan 0.000 0.444 240 Y N -0.908 119.388 120.300 -0.007 0.000 2.097 240 Y HA -0.279 4.272 4.550 0.001 0.000 0.282 240 Y C 2.111 177.886 175.900 -0.208 0.000 1.152 240 Y CA 2.002 60.024 58.100 -0.130 0.000 1.136 240 Y CB -0.695 37.655 38.460 -0.183 0.000 0.975 240 Y HN 0.429 nan 8.280 nan 0.000 0.498 241 W N -0.372 120.836 121.300 -0.154 0.000 2.358 241 W HA -0.220 4.440 4.660 0.000 0.000 0.303 241 W C 1.929 178.235 176.519 -0.356 0.000 1.208 241 W CA 1.042 58.208 57.345 -0.298 0.000 1.274 241 W CB -0.282 29.136 29.460 -0.071 0.000 1.138 241 W HN 0.066 nan 8.180 nan 0.000 0.515 242 M N 0.082 119.582 119.600 -0.167 0.000 2.563 242 M HA 0.090 4.571 4.480 0.001 0.000 0.231 242 M C -0.408 175.766 176.300 -0.210 0.000 1.136 242 M CA 0.148 55.297 55.300 -0.251 0.000 1.026 242 M CB -1.759 30.572 32.600 -0.448 0.000 1.597 242 M HN -0.139 nan 8.290 nan 0.000 0.495 243 D N 0.883 121.150 120.400 -0.222 0.000 2.531 243 D HA 0.268 4.908 4.640 0.001 0.000 0.239 243 D C 1.398 177.592 176.300 -0.177 0.000 1.144 243 D CA 2.018 55.910 54.000 -0.180 0.000 0.869 243 D CB 0.405 41.088 40.800 -0.194 0.000 1.160 243 D HN 0.572 nan 8.370 nan 0.000 0.484 244 G N 2.178 110.901 108.800 -0.128 0.000 2.195 244 G HA2 -0.323 3.637 3.960 0.001 0.000 0.246 244 G HA3 -0.323 3.637 3.960 0.001 0.000 0.246 244 G C 1.154 175.988 174.900 -0.110 0.000 0.984 244 G CA 0.218 45.247 45.100 -0.119 0.000 0.633 244 G HN 0.677 nan 8.290 nan 0.000 0.525 245 V N 0.800 120.645 119.914 -0.115 0.000 2.392 245 V HA -0.127 3.993 4.120 0.001 0.000 0.249 245 V C 2.591 178.642 176.094 -0.072 0.000 1.059 245 V CA 3.315 65.555 62.300 -0.100 0.000 1.051 245 V CB -0.204 31.555 31.823 -0.106 0.000 0.658 245 V HN 0.580 nan 8.190 nan 0.000 0.455 246 E N 0.571 120.736 120.200 -0.060 0.000 2.209 246 E HA -0.144 4.207 4.350 0.001 0.000 0.196 246 E C 1.698 178.273 176.600 -0.042 0.000 0.993 246 E CA 1.505 57.880 56.400 -0.042 0.000 0.819 246 E CB -0.218 29.462 29.700 -0.033 0.000 0.745 246 E HN 0.627 nan 8.360 nan 0.000 0.477 247 N N -0.129 118.541 118.700 -0.050 0.000 2.205 247 N HA 0.057 4.797 4.740 0.001 0.000 0.201 247 N C -0.347 175.131 175.510 -0.053 0.000 1.128 247 N CA -0.189 52.833 53.050 -0.046 0.000 0.867 247 N CB 0.547 39.008 38.487 -0.044 0.000 0.996 247 N HN 0.115 nan 8.380 nan 0.000 0.503 248 L N 2.331 123.516 121.223 -0.064 0.000 2.360 248 L HA 0.133 4.473 4.340 0.001 0.000 0.276 248 L C 0.228 177.064 176.870 -0.057 0.000 1.121 248 L CA 0.059 54.856 54.840 -0.070 0.000 0.845 248 L CB 0.444 42.449 42.059 -0.090 0.000 1.143 248 L HN 0.006 nan 8.230 nan 0.000 0.452 249 Q N 3.470 123.239 119.800 -0.051 0.000 2.299 249 Q HA 0.558 4.898 4.340 0.001 0.000 0.246 249 Q C 0.010 175.985 176.000 -0.042 0.000 0.935 249 Q CA -0.382 55.397 55.803 -0.040 0.000 0.887 249 Q CB 0.989 29.707 28.738 -0.033 0.000 1.223 249 Q HN 0.873 nan 8.270 nan 0.000 0.439 250 A N 1.114 123.912 122.820 -0.037 0.000 2.540 250 A HA 0.400 4.720 4.320 0.001 0.000 0.239 250 A C 1.122 178.687 177.584 -0.031 0.000 1.061 250 A CA 0.721 52.735 52.037 -0.039 0.000 0.758 250 A CB -0.607 18.373 19.000 -0.033 0.000 0.991 250 A HN 1.020 nan 8.150 nan 0.000 0.502 251 G N 1.077 109.859 108.800 -0.030 0.000 2.157 251 G HA2 -0.186 3.774 3.960 0.001 0.000 0.248 251 G HA3 -0.186 3.774 3.960 0.001 0.000 0.248 251 G C 0.057 174.957 174.900 -0.000 0.000 0.979 251 G CA 0.604 45.700 45.100 -0.005 0.000 0.650 251 G HN 0.964 nan 8.290 nan 0.000 0.529 252 Q N -1.013 118.772 119.800 -0.026 0.000 2.458 252 Q HA 0.704 5.045 4.340 0.001 0.000 0.282 252 Q C -0.674 175.286 176.000 -0.066 0.000 1.106 252 Q CA -0.868 54.912 55.803 -0.038 0.000 0.814 252 Q CB 1.545 30.255 28.738 -0.046 0.000 1.425 252 Q HN 0.318 nan 8.270 nan 0.000 0.437 253 Q N 0.518 120.265 119.800 -0.089 0.000 2.423 253 Q HA 0.510 4.851 4.340 0.001 0.000 0.278 253 Q C -1.683 174.187 176.000 -0.217 0.000 1.097 253 Q CA -0.856 54.860 55.803 -0.145 0.000 0.809 253 Q CB 2.350 31.009 28.738 -0.132 0.000 1.391 253 Q HN 0.525 nan 8.270 nan 0.000 0.428 254 E N -0.442 119.572 120.200 -0.311 0.000 2.335 254 E HA 0.529 4.880 4.350 0.001 0.000 0.280 254 E C -0.847 175.373 176.600 -0.633 0.000 0.918 254 E CA -0.970 55.173 56.400 -0.429 0.000 0.765 254 E CB 1.528 31.059 29.700 -0.283 0.000 1.218 254 E HN 0.485 nan 8.360 nan 0.000 0.425 255 K N 0.996 120.744 120.400 -1.086 0.000 1.721 255 K HA -0.363 3.958 4.320 0.001 0.000 0.121 255 K C 0.599 176.610 176.600 -0.981 0.000 1.152 255 K CA 2.122 57.543 56.287 -1.443 0.000 0.360 255 K CB -0.763 31.305 32.500 -0.720 0.000 0.626 255 K HN 0.657 nan 8.250 nan 0.000 0.878 256 R N 0.758 120.936 120.500 -0.536 0.000 2.334 256 R HA 0.197 4.537 4.340 0.001 0.000 0.220 256 R C -0.496 175.698 176.300 -0.177 0.000 0.917 256 R CA -0.080 55.873 56.100 -0.245 0.000 1.073 256 R CB 0.530 30.707 30.300 -0.205 0.000 1.056 256 R HN 0.071 nan 8.270 nan 0.000 0.506 257 V N 1.064 120.831 119.914 -0.245 0.000 2.628 257 V HA 0.444 4.564 4.120 0.001 0.000 0.306 257 V C -0.189 175.805 176.094 -0.166 0.000 1.045 257 V CA -1.098 61.096 62.300 -0.176 0.000 0.905 257 V CB 2.003 33.720 31.823 -0.175 0.000 0.997 257 V HN -0.054 nan 8.190 nan 0.000 0.436 258 V N 1.378 121.219 119.914 -0.123 0.000 2.735 258 V HA 0.763 4.884 4.120 0.001 0.000 0.310 258 V C -0.777 175.254 176.094 -0.105 0.000 1.061 258 V CA -0.862 61.376 62.300 -0.105 0.000 0.913 258 V CB 1.820 33.600 31.823 -0.071 0.000 1.005 258 V HN 0.897 nan 8.190 nan 0.000 0.428 259 K N 4.469 124.811 120.400 -0.097 0.000 2.535 259 K HA 0.640 4.961 4.320 0.001 0.000 0.253 259 K C -0.864 175.675 176.600 -0.102 0.000 0.953 259 K CA -0.742 55.484 56.287 -0.101 0.000 0.863 259 K CB 1.548 33.999 32.500 -0.081 0.000 1.111 259 K HN 0.896 nan 8.250 nan 0.000 0.431 260 L N 2.667 123.793 121.223 -0.162 0.000 2.479 260 L HA 0.106 4.447 4.340 0.001 0.000 0.248 260 L C 1.764 178.569 176.870 -0.109 0.000 1.205 260 L CA -0.672 54.059 54.840 -0.181 0.000 0.817 260 L CB 0.433 42.219 42.059 -0.456 0.000 1.162 260 L HN 0.671 nan 8.230 nan 0.000 0.486 261 Q N 0.993 120.751 119.800 -0.071 0.000 2.096 261 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 261 Q C 1.253 177.236 176.000 -0.029 0.000 0.982 261 Q CA 1.767 57.548 55.803 -0.037 0.000 0.850 261 Q CB -0.405 28.318 28.738 -0.024 0.000 0.901 261 Q HN 0.770 nan 8.270 nan 0.000 0.422 262 D N -1.497 118.890 120.400 -0.023 0.000 2.336 262 D HA 0.073 4.713 4.640 0.001 0.000 0.229 262 D C 1.035 177.328 176.300 -0.012 0.000 1.061 262 D CA 0.806 54.809 54.000 0.006 0.000 0.875 262 D CB -0.149 40.689 40.800 0.062 0.000 0.904 262 D HN 0.305 nan 8.370 nan 0.000 0.525 263 G N -0.656 108.118 108.800 -0.043 0.000 2.175 263 G HA2 -0.266 3.694 3.960 0.001 0.000 0.244 263 G HA3 -0.266 3.694 3.960 0.001 0.000 0.244 263 G C 0.427 175.293 174.900 -0.057 0.000 0.982 263 G CA 0.172 45.247 45.100 -0.042 0.000 0.641 263 G HN 0.444 nan 8.290 nan 0.000 0.527 264 T N 1.625 116.125 114.554 -0.090 0.000 2.902 264 T HA 0.431 4.781 4.350 0.001 0.000 0.301 264 T C 0.631 175.257 174.700 -0.123 0.000 1.012 264 T CA 0.377 62.415 62.100 -0.104 0.000 1.151 264 T CB 0.858 69.605 68.868 -0.202 0.000 0.946 264 T HN 0.328 nan 8.240 nan 0.000 0.542 265 L N 5.086 126.269 121.223 -0.068 0.000 2.265 265 L HA 0.571 4.911 4.340 0.001 0.000 0.289 265 L C -0.196 176.641 176.870 -0.056 0.000 1.033 265 L CA -0.477 54.325 54.840 -0.063 0.000 0.814 265 L CB 0.658 42.697 42.059 -0.032 0.000 1.203 265 L HN 0.424 nan 8.230 nan 0.000 0.423 266 L N 3.005 124.179 121.223 -0.082 0.000 2.277 266 L HA 0.542 4.882 4.340 0.001 0.000 0.254 266 L C -0.811 176.010 176.870 -0.081 0.000 1.044 266 L CA -0.833 53.964 54.840 -0.071 0.000 0.842 266 L CB 2.514 44.524 42.059 -0.082 0.000 1.422 266 L HN 0.488 nan 8.230 nan 0.000 0.422 267 N N -0.542 118.101 118.700 -0.095 0.000 2.402 267 N HA 0.747 5.488 4.740 0.001 0.000 0.294 267 N C -1.399 174.024 175.510 -0.145 0.000 1.203 267 N CA -0.884 52.101 53.050 -0.109 0.000 0.838 267 N CB 1.814 40.234 38.487 -0.112 0.000 1.306 267 N HN 0.474 nan 8.380 nan 0.000 0.510 268 R N -0.628 119.797 120.500 -0.125 0.000 2.855 268 R HA 0.500 4.840 4.340 0.001 0.000 0.266 268 R C -1.424 174.805 176.300 -0.119 0.000 1.034 268 R CA -0.806 55.209 56.100 -0.141 0.000 0.944 268 R CB 0.556 30.843 30.300 -0.022 0.000 1.219 268 R HN 0.340 nan 8.270 nan 0.000 0.474 269 Y N 0.292 120.629 120.300 0.061 0.000 2.299 269 Y HA 0.358 4.909 4.550 0.001 0.000 0.326 269 Y C -0.176 175.821 175.900 0.161 0.000 1.164 269 Y CA 0.117 58.270 58.100 0.087 0.000 1.234 269 Y CB 1.127 39.512 38.460 -0.126 0.000 1.219 269 Y HN 0.420 nan 8.280 nan 0.000 0.497 270 W N 3.956 125.307 121.300 0.086 0.000 3.296 270 W HA 0.256 4.917 4.660 0.001 0.000 0.314 270 W C -2.125 174.379 176.519 -0.024 0.000 1.238 270 W CA -0.685 56.650 57.345 -0.018 0.000 1.193 270 W CB 2.322 31.732 29.460 -0.084 0.000 1.383 270 W HN 0.506 nan 8.180 nan 0.000 0.545 271 D N 2.697 122.729 120.400 -0.614 0.000 2.646 271 D HA 0.103 4.743 4.640 0.001 0.000 0.245 271 D C 0.623 176.542 176.300 -0.635 0.000 1.099 271 D CA -0.165 53.588 54.000 -0.411 0.000 0.849 271 D CB 1.923 42.572 40.800 -0.253 0.000 1.448 271 D HN 0.468 nan 8.370 nan 0.000 0.489 272 D N 2.267 122.542 120.400 -0.208 0.000 2.371 272 D HA -0.047 4.593 4.640 0.001 0.000 0.221 272 D C 0.293 176.550 176.300 -0.072 0.000 0.986 272 D CA 0.663 54.637 54.000 -0.042 0.000 0.899 272 D CB 0.262 41.125 40.800 0.104 0.000 0.902 272 D HN 0.143 nan 8.370 nan 0.000 0.530 273 R N -0.177 120.251 120.500 -0.120 0.000 2.758 273 R HA 0.415 4.755 4.340 0.001 0.000 0.265 273 R C -0.550 175.686 176.300 -0.106 0.000 1.016 273 R CA -0.529 55.528 56.100 -0.071 0.000 1.040 273 R CB 0.976 31.260 30.300 -0.027 0.000 1.152 273 R HN 0.066 nan 8.270 nan 0.000 0.503 274 D N -0.795 119.579 120.400 -0.044 0.000 2.819 274 D HA 0.052 4.693 4.640 0.001 0.000 0.326 274 D C -0.561 175.777 176.300 0.063 0.000 1.408 274 D CA -0.372 53.629 54.000 0.000 0.000 0.811 274 D CB 0.332 41.137 40.800 0.008 0.000 1.148 274 D HN 0.504 nan 8.370 nan 0.000 0.457 275 T N -3.978 110.522 114.554 -0.090 0.000 2.888 275 T HA 0.697 5.048 4.350 0.001 0.000 0.288 275 T C -2.999 171.267 174.700 -0.723 0.000 1.063 275 T CA -2.332 59.520 62.100 -0.413 0.000 1.010 275 T CB 1.786 70.538 68.868 -0.194 0.000 1.214 275 T HN -0.296 nan 8.240 nan 0.000 0.533 276 P HA 0.243 nan 4.420 nan 0.000 0.269 276 P C -0.433 176.729 177.300 -0.231 0.000 1.215 276 P CA -0.381 62.188 63.100 -0.884 0.000 0.780 276 P CB 0.308 31.204 31.700 -1.339 0.000 0.898 277 R N 4.356 124.860 120.500 0.006 0.000 2.347 277 R HA 0.099 4.439 4.340 0.001 0.000 0.304 277 R C -1.490 175.006 176.300 0.327 0.000 1.072 277 R CA -1.180 55.018 56.100 0.164 0.000 0.980 277 R CB -0.299 30.118 30.300 0.195 0.000 0.986 277 R HN 0.421 nan 8.270 nan 0.000 0.448 278 P HA -0.272 nan 4.420 nan 0.000 0.217 278 P C 0.884 178.310 177.300 0.210 0.000 1.151 278 P CA 1.367 64.649 63.100 0.303 0.000 0.849 278 P CB 0.205 31.767 31.700 -0.229 0.000 0.787 279 E N -1.112 119.020 120.200 -0.114 0.000 2.481 279 E HA 0.019 4.370 4.350 0.001 0.000 0.195 279 E C 0.207 176.876 176.600 0.115 0.000 1.047 279 E CA 0.812 57.128 56.400 -0.140 0.000 0.867 279 E CB -0.369 29.135 29.700 -0.326 0.000 0.858 279 E HN 0.103 nan 8.360 nan 0.000 0.513 280 S N 0.567 116.400 115.700 0.220 0.000 2.941 280 S HA 0.107 4.578 4.470 0.001 0.000 0.248 280 S C 0.248 175.013 174.600 0.275 0.000 0.962 280 S CA -0.810 57.544 58.200 0.257 0.000 1.092 280 S CB -0.411 62.958 63.200 0.282 0.000 1.113 280 S HN 0.352 nan 8.310 nan 0.000 0.512 281 W N 2.439 123.801 121.300 0.103 0.000 2.329 281 W HA -0.250 4.411 4.660 0.001 0.000 0.324 281 W C 1.978 178.546 176.519 0.082 0.000 1.222 281 W CA 2.437 59.840 57.345 0.097 0.000 1.270 281 W CB -0.492 29.031 29.460 0.106 0.000 1.167 281 W HN 0.337 nan 8.180 nan 0.000 0.467 282 V N -0.304 119.769 119.914 0.265 0.000 2.515 282 V HA -0.240 3.880 4.120 0.001 0.000 0.250 282 V C 1.856 177.998 176.094 0.080 0.000 1.058 282 V CA 2.407 64.788 62.300 0.135 0.000 1.064 282 V CB -0.999 30.918 31.823 0.156 0.000 0.675 282 V HN 0.064 nan 8.190 nan 0.000 0.461 283 E N 1.087 121.359 120.200 0.120 0.000 2.051 283 E HA -0.164 4.186 4.350 0.001 0.000 0.192 283 E C 1.981 178.634 176.600 0.088 0.000 0.991 283 E CA 1.852 58.323 56.400 0.117 0.000 0.799 283 E CB -0.448 29.359 29.700 0.179 0.000 0.748 283 E HN 0.660 nan 8.360 nan 0.000 0.449 284 D N 0.040 120.495 120.400 0.090 0.000 2.117 284 D HA -0.107 4.533 4.640 0.001 0.000 0.197 284 D C 1.935 178.322 176.300 0.145 0.000 0.987 284 D CA 0.780 54.847 54.000 0.113 0.000 0.829 284 D CB -0.164 40.696 40.800 0.100 0.000 0.961 284 D HN 0.178 nan 8.370 nan 0.000 0.460 285 I N 1.020 121.593 120.570 0.005 0.000 2.226 285 I HA -0.254 3.917 4.170 0.001 0.000 0.245 285 I C 2.442 178.573 176.117 0.023 0.000 1.100 285 I CA 0.987 62.297 61.300 0.018 0.000 1.374 285 I CB -0.230 37.687 38.000 -0.139 0.000 1.057 285 I HN -0.069 nan 8.210 nan 0.000 0.413 286 A N 0.474 123.303 122.820 0.014 0.000 1.883 286 A HA -0.240 4.081 4.320 0.001 0.000 0.217 286 A C 2.393 179.970 177.584 -0.011 0.000 1.186 286 A CA 2.627 54.670 52.037 0.009 0.000 0.624 286 A CB -1.201 17.814 19.000 0.024 0.000 0.822 286 A HN 0.392 nan 8.150 nan 0.000 0.444 287 T N 0.331 114.876 114.554 -0.015 0.000 2.652 287 T HA -0.102 4.249 4.350 0.001 0.000 0.267 287 T C 2.238 176.875 174.700 -0.104 0.000 1.039 287 T CA 2.005 64.070 62.100 -0.058 0.000 1.153 287 T CB -0.569 68.252 68.868 -0.078 0.000 0.863 287 T HN 0.638 nan 8.240 nan 0.000 0.428 288 A N 1.224 123.954 122.820 -0.150 0.000 1.902 288 A HA -0.095 4.226 4.320 0.001 0.000 0.217 288 A C 2.208 179.703 177.584 -0.148 0.000 1.181 288 A CA 1.962 53.840 52.037 -0.264 0.000 0.623 288 A CB -0.542 18.132 19.000 -0.544 0.000 0.818 288 A HN 0.377 nan 8.150 nan 0.000 0.443 289 K N 0.648 121.000 120.400 -0.081 0.000 2.211 289 K HA -0.124 4.197 4.320 0.001 0.000 0.204 289 K C 2.144 178.718 176.600 -0.043 0.000 1.047 289 K CA 1.536 57.795 56.287 -0.046 0.000 0.935 289 K CB -0.251 32.238 32.500 -0.017 0.000 0.728 289 K HN 0.643 nan 8.250 nan 0.000 0.452 290 S N -0.591 115.080 115.700 -0.049 0.000 2.481 290 S HA -0.047 4.423 4.470 0.001 0.000 0.231 290 S C 0.646 175.219 174.600 -0.045 0.000 0.996 290 S CA 0.475 58.652 58.200 -0.039 0.000 0.942 290 S CB -0.084 63.095 63.200 -0.035 0.000 0.768 290 S HN 0.220 nan 8.310 nan 0.000 0.520 291 N N 1.500 120.162 118.700 -0.063 0.000 2.762 291 N HA 0.444 5.185 4.740 0.001 0.000 0.252 291 N C -2.745 172.725 175.510 -0.067 0.000 1.269 291 N CA -2.165 50.849 53.050 -0.060 0.000 0.799 291 N CB 1.522 39.972 38.487 -0.062 0.000 1.173 291 N HN -0.020 nan 8.380 nan 0.000 0.516 292 P HA 0.062 nan 4.420 nan 0.000 0.230 292 P C 0.420 177.695 177.300 -0.042 0.000 1.158 292 P CA 0.675 63.746 63.100 -0.047 0.000 0.769 292 P CB 0.384 32.066 31.700 -0.030 0.000 0.807 293 N N -0.715 117.962 118.700 -0.038 0.000 2.467 293 N HA -0.024 4.716 4.740 0.001 0.000 0.184 293 N C 0.703 176.191 175.510 -0.038 0.000 1.106 293 N CA 0.375 53.406 53.050 -0.032 0.000 0.892 293 N CB -0.008 38.464 38.487 -0.024 0.000 0.969 293 N HN 0.199 nan 8.380 nan 0.000 0.454 294 R N 1.404 121.871 120.500 -0.054 0.000 2.393 294 R HA 0.333 4.674 4.340 0.001 0.000 0.310 294 R C -2.651 173.601 176.300 -0.080 0.000 0.968 294 R CA -1.714 54.349 56.100 -0.061 0.000 0.867 294 R CB 1.120 31.376 30.300 -0.073 0.000 1.124 294 R HN -0.182 nan 8.270 nan 0.000 0.450 295 P HA -0.052 nan 4.420 nan 0.000 0.261 295 P C -0.196 177.024 177.300 -0.133 0.000 1.183 295 P CA 0.370 63.428 63.100 -0.070 0.000 0.761 295 P CB 0.986 32.662 31.700 -0.040 0.000 0.785 296 A N 3.946 126.665 122.820 -0.169 0.000 1.978 296 A HA -0.207 4.113 4.320 0.001 0.000 0.220 296 A C 2.031 179.371 177.584 -0.408 0.000 1.170 296 A CA 2.380 54.190 52.037 -0.378 0.000 0.636 296 A CB -1.700 17.112 19.000 -0.312 0.000 0.810 296 A HN 0.589 nan 8.150 nan 0.000 0.448 297 T N -1.702 112.795 114.554 -0.096 0.000 2.788 297 T HA -0.176 4.175 4.350 0.001 0.000 0.268 297 T C 1.571 176.252 174.700 -0.032 0.000 1.044 297 T CA 1.520 63.639 62.100 0.032 0.000 1.139 297 T CB -0.448 68.448 68.868 0.047 0.000 0.867 297 T HN 0.664 nan 8.240 nan 0.000 0.454 298 E N 1.040 121.194 120.200 -0.075 0.000 2.077 298 E HA -0.013 4.338 4.350 0.001 0.000 0.193 298 E C 2.223 178.757 176.600 -0.109 0.000 0.989 298 E CA 1.235 57.591 56.400 -0.072 0.000 0.800 298 E CB -0.381 29.286 29.700 -0.055 0.000 0.746 298 E HN 0.537 nan 8.360 nan 0.000 0.452 299 I N 0.409 120.862 120.570 -0.195 0.000 2.179 299 I HA -0.286 3.884 4.170 0.001 0.000 0.242 299 I C 2.118 178.138 176.117 -0.160 0.000 1.088 299 I CA 1.114 62.277 61.300 -0.228 0.000 1.357 299 I CB -0.314 37.475 38.000 -0.351 0.000 1.051 299 I HN 0.097 nan 8.210 nan 0.000 0.409 300 Y N 0.670 120.918 120.300 -0.087 0.000 2.128 300 Y HA -0.273 4.277 4.550 0.001 0.000 0.284 300 Y C 2.735 178.571 175.900 -0.107 0.000 1.154 300 Y CA 1.384 59.430 58.100 -0.090 0.000 1.149 300 Y CB -0.983 37.419 38.460 -0.096 0.000 0.976 300 Y HN 0.083 nan 8.280 nan 0.000 0.505 301 R N 0.685 121.188 120.500 0.004 0.000 2.091 301 R HA -0.156 4.184 4.340 0.001 0.000 0.238 301 R C 1.674 177.877 176.300 -0.162 0.000 1.136 301 R CA 2.073 58.071 56.100 -0.171 0.000 0.959 301 R CB -0.501 29.638 30.300 -0.269 0.000 0.856 301 R HN 0.210 nan 8.270 nan 0.000 0.437 302 D N -0.185 120.158 120.400 -0.094 0.000 2.183 302 D HA -0.090 4.551 4.640 0.001 0.000 0.203 302 D C 1.897 178.187 176.300 -0.018 0.000 0.969 302 D CA 1.006 54.962 54.000 -0.073 0.000 0.842 302 D CB -0.018 40.752 40.800 -0.049 0.000 0.957 302 D HN 0.264 nan 8.370 nan 0.000 0.484 303 L N 0.418 121.664 121.223 0.039 0.000 2.005 303 L HA -0.122 4.219 4.340 0.001 0.000 0.207 303 L C 2.623 179.632 176.870 0.230 0.000 1.072 303 L CA 1.163 56.117 54.840 0.191 0.000 0.744 303 L CB -0.205 41.956 42.059 0.170 0.000 0.895 303 L HN -0.100 nan 8.230 nan 0.000 0.433 304 R N -0.616 119.944 120.500 0.101 0.000 2.091 304 R HA -0.132 4.209 4.340 0.001 0.000 0.238 304 R C 2.437 178.709 176.300 -0.046 0.000 1.136 304 R CA 1.657 57.782 56.100 0.043 0.000 0.959 304 R CB -0.416 29.874 30.300 -0.018 0.000 0.856 304 R HN 0.261 nan 8.270 nan 0.000 0.437 305 S N 0.556 116.186 115.700 -0.118 0.000 2.402 305 S HA -0.097 4.373 4.470 0.001 0.000 0.229 305 S C 2.008 176.429 174.600 -0.298 0.000 1.021 305 S CA 1.070 59.169 58.200 -0.168 0.000 0.974 305 S CB -0.055 63.049 63.200 -0.160 0.000 0.800 305 S HN 0.473 nan 8.310 nan 0.000 0.484 306 A N 1.469 124.115 122.820 -0.290 0.000 1.930 306 A HA 0.189 4.509 4.320 0.001 0.000 0.217 306 A C 2.311 179.702 177.584 -0.321 0.000 1.175 306 A CA 1.486 53.267 52.037 -0.426 0.000 0.627 306 A CB -0.875 18.114 19.000 -0.017 0.000 0.815 306 A HN 0.503 nan 8.150 nan 0.000 0.443 307 A N -0.170 122.542 122.820 -0.180 0.000 1.969 307 A HA 0.238 4.558 4.320 0.001 0.000 0.218 307 A C 2.419 179.860 177.584 -0.237 0.000 1.169 307 A CA 1.696 53.623 52.037 -0.183 0.000 0.635 307 A CB -0.822 18.169 19.000 -0.016 0.000 0.810 307 A HN 0.991 nan 8.150 nan 0.000 0.445 308 A N 0.424 123.100 122.820 -0.240 0.000 1.972 308 A HA -0.087 4.233 4.320 0.001 0.000 0.219 308 A C 2.417 179.601 177.584 -0.667 0.000 1.169 308 A CA 2.127 54.020 52.037 -0.240 0.000 0.635 308 A CB -0.831 18.145 19.000 -0.041 0.000 0.810 308 A HN 1.014 nan 8.150 nan 0.000 0.446 309 S N -2.018 113.045 115.700 -1.062 0.000 2.522 309 S HA 0.308 4.779 4.470 0.001 0.000 0.227 309 S C 1.656 175.651 174.600 -1.008 0.000 0.986 309 S CA 1.239 58.401 58.200 -1.728 0.000 0.929 309 S CB -0.340 62.136 63.200 -1.207 0.000 0.769 309 S HN 1.902 nan 8.310 nan 0.000 0.529 310 G N 0.165 108.528 108.800 -0.729 0.000 2.284 310 G HA2 -0.261 3.700 3.960 0.001 0.000 0.247 310 G HA3 -0.261 3.700 3.960 0.001 0.000 0.247 310 G C -0.096 174.304 174.900 -0.832 0.000 1.012 310 G CA 0.171 44.878 45.100 -0.655 0.000 0.618 310 G HN 0.546 nan 8.290 nan 0.000 0.521 311 W N 3.843 124.560 121.300 -0.972 0.000 1.889 311 W HA 0.490 5.151 4.660 0.001 0.000 0.373 311 W C -0.028 176.286 176.519 -0.342 0.000 0.663 311 W CA -1.056 55.701 57.345 -0.981 0.000 2.177 311 W CB -0.067 29.270 29.460 -0.205 0.000 1.819 311 W HN 0.331 nan 8.180 nan 0.000 0.505 312 D N 0.500 120.668 120.400 -0.388 0.000 2.380 312 D HA 0.259 4.899 4.640 0.001 0.000 0.230 312 D C -0.432 175.680 176.300 -0.314 0.000 1.154 312 D CA -0.215 53.360 54.000 -0.708 0.000 0.859 312 D CB 0.537 40.704 40.800 -1.055 0.000 1.045 312 D HN -0.070 nan 8.370 nan 0.000 0.495 313 F N 0.431 120.667 119.950 0.476 0.000 2.639 313 F HA 0.602 5.129 4.527 0.001 0.000 0.339 313 F C 0.540 176.624 175.800 0.474 0.000 1.071 313 F CA -1.122 57.148 58.000 0.450 0.000 0.994 313 F CB 2.143 41.345 39.000 0.337 0.000 1.341 313 F HN 0.267 nan 8.300 nan 0.000 0.498 314 S N -1.060 115.015 115.700 0.626 0.000 2.535 314 S HA 0.324 4.794 4.470 0.001 0.000 0.272 314 S C 0.436 175.136 174.600 0.166 0.000 1.149 314 S CA -0.074 58.338 58.200 0.352 0.000 0.888 314 S CB 1.222 64.588 63.200 0.276 0.000 1.110 314 S HN 0.781 nan 8.310 nan 0.000 0.463 315 S N 3.666 119.437 115.700 0.119 0.000 2.407 315 S HA -0.222 4.248 4.470 0.001 0.000 0.235 315 S C 1.801 176.373 174.600 -0.047 0.000 1.036 315 S CA 1.430 59.662 58.200 0.054 0.000 1.013 315 S CB -0.574 62.656 63.200 0.050 0.000 0.820 315 S HN 0.772 nan 8.310 nan 0.000 0.476 316 R N 0.284 120.657 120.500 -0.211 0.000 2.133 316 R HA -0.140 4.201 4.340 0.001 0.000 0.247 316 R C 1.440 177.492 176.300 -0.413 0.000 1.151 316 R CA 2.166 57.964 56.100 -0.504 0.000 0.971 316 R CB -0.297 29.385 30.300 -1.030 0.000 0.866 316 R HN 0.739 nan 8.270 nan 0.000 0.447 317 W N -0.846 120.508 121.300 0.091 0.000 3.278 317 W HA 0.276 4.936 4.660 0.001 0.000 0.308 317 W C -0.053 176.497 176.519 0.052 0.000 1.253 317 W CA -0.915 56.471 57.345 0.067 0.000 1.759 317 W CB 0.389 29.912 29.460 0.105 0.000 1.093 317 W HN -0.099 nan 8.180 nan 0.000 0.648 318 M N 0.762 120.480 119.600 0.198 0.000 2.436 318 M HA 0.201 4.681 4.480 0.001 0.000 0.331 318 M C 0.585 176.930 176.300 0.075 0.000 1.135 318 M CA -0.488 54.892 55.300 0.134 0.000 0.987 318 M CB 1.839 34.510 32.600 0.120 0.000 1.687 318 M HN -0.222 nan 8.290 nan 0.000 0.445 319 D N 0.967 121.399 120.400 0.053 0.000 2.144 319 D HA -0.057 4.583 4.640 0.001 0.000 0.200 319 D C 0.173 176.488 176.300 0.025 0.000 0.978 319 D CA 1.516 55.533 54.000 0.029 0.000 0.833 319 D CB 0.151 40.961 40.800 0.017 0.000 0.961 319 D HN 0.443 nan 8.370 nan 0.000 0.470 320 N N -0.347 118.370 118.700 0.028 0.000 2.524 320 N HA 0.170 4.911 4.740 0.001 0.000 0.261 320 N C -2.327 173.206 175.510 0.039 0.000 0.998 320 N CA -1.996 51.070 53.050 0.027 0.000 0.915 320 N CB 2.127 40.625 38.487 0.018 0.000 1.187 320 N HN -0.309 nan 8.380 nan 0.000 0.507 321 P HA -0.110 nan 4.420 nan 0.000 0.222 321 P C 0.728 178.065 177.300 0.062 0.000 1.142 321 P CA 1.084 64.222 63.100 0.063 0.000 0.788 321 P CB 0.431 32.164 31.700 0.056 0.000 0.767 322 Q N -1.412 118.415 119.800 0.045 0.000 2.451 322 Q HA 0.026 4.366 4.340 0.001 0.000 0.206 322 Q C 0.635 176.655 176.000 0.033 0.000 0.947 322 Q CA 0.792 56.619 55.803 0.040 0.000 0.937 322 Q CB 0.124 28.880 28.738 0.030 0.000 1.025 322 Q HN 0.272 nan 8.270 nan 0.000 0.511 323 Q N 0.371 120.187 119.800 0.027 0.000 2.303 323 Q HA 0.179 4.520 4.340 0.001 0.000 0.267 323 Q C -0.071 175.928 176.000 -0.002 0.000 1.011 323 Q CA -0.169 55.640 55.803 0.010 0.000 0.740 323 Q CB 1.108 29.848 28.738 0.003 0.000 1.250 323 Q HN 0.034 nan 8.270 nan 0.000 0.458 324 L N 3.845 125.053 121.223 -0.025 0.000 2.201 324 L HA -0.042 4.298 4.340 0.001 0.000 0.212 324 L C 1.266 178.074 176.870 -0.103 0.000 1.105 324 L CA 2.260 57.051 54.840 -0.082 0.000 0.775 324 L CB -0.405 41.563 42.059 -0.151 0.000 0.913 324 L HN 0.869 nan 8.230 nan 0.000 0.440 325 N N -1.461 117.191 118.700 -0.080 0.000 2.573 325 N HA -0.155 4.586 4.740 0.001 0.000 0.187 325 N C 1.279 176.753 175.510 -0.060 0.000 1.107 325 N CA 1.349 54.348 53.050 -0.085 0.000 0.918 325 N CB -1.128 37.313 38.487 -0.077 0.000 0.966 325 N HN 0.516 nan 8.380 nan 0.000 0.448 326 T N -2.727 111.808 114.554 -0.032 0.000 3.107 326 T HA 0.230 4.580 4.350 0.001 0.000 0.249 326 T C 0.662 175.371 174.700 0.014 0.000 1.096 326 T CA -0.574 61.521 62.100 -0.010 0.000 1.012 326 T CB -0.411 68.460 68.868 0.005 0.000 0.977 326 T HN 0.093 nan 8.240 nan 0.000 0.527 327 L N 2.754 123.983 121.223 0.010 0.000 2.559 327 L HA 0.129 4.470 4.340 0.001 0.000 0.282 327 L C 1.075 177.977 176.870 0.052 0.000 1.232 327 L CA 0.323 55.200 54.840 0.061 0.000 0.885 327 L CB 0.328 42.392 42.059 0.008 0.000 1.131 327 L HN 0.483 nan 8.230 nan 0.000 0.498 328 R N 0.558 121.119 120.500 0.101 0.000 2.647 328 R HA 0.201 4.541 4.340 0.001 0.000 0.295 328 R C 0.471 176.825 176.300 0.090 0.000 1.267 328 R CA -0.347 55.794 56.100 0.068 0.000 1.386 328 R CB -0.244 30.085 30.300 0.048 0.000 1.309 328 R HN 0.499 nan 8.270 nan 0.000 0.692 329 T N 0.209 114.791 114.554 0.046 0.000 2.653 329 T HA -0.253 4.097 4.350 0.001 0.000 0.268 329 T C 1.859 176.541 174.700 -0.031 0.000 1.035 329 T CA 2.640 64.690 62.100 -0.083 0.000 1.154 329 T CB -0.235 68.425 68.868 -0.347 0.000 0.862 329 T HN 0.652 nan 8.240 nan 0.000 0.441 330 T N 0.441 115.012 114.554 0.028 0.000 3.118 330 T HA 0.041 4.391 4.350 0.001 0.000 0.260 330 T C 1.782 176.550 174.700 0.113 0.000 1.139 330 T CA 0.869 63.046 62.100 0.128 0.000 1.085 330 T CB -0.365 68.668 68.868 0.275 0.000 0.934 330 T HN 0.481 nan 8.240 nan 0.000 0.518 331 S N 0.403 116.151 115.700 0.081 0.000 2.572 331 S HA 0.376 4.847 4.470 0.001 0.000 0.228 331 S C 0.252 174.888 174.600 0.060 0.000 0.963 331 S CA -0.771 57.461 58.200 0.054 0.000 0.939 331 S CB -0.292 62.922 63.200 0.023 0.000 0.804 331 S HN 0.339 nan 8.310 nan 0.000 0.480 332 I N 2.534 123.169 120.570 0.109 0.000 2.389 332 I HA 0.394 4.564 4.170 0.001 0.000 0.288 332 I C -0.485 175.728 176.117 0.160 0.000 0.999 332 I CA -1.229 60.168 61.300 0.161 0.000 1.129 332 I CB 1.629 39.822 38.000 0.321 0.000 1.288 332 I HN -0.044 nan 8.210 nan 0.000 0.444 333 V N 9.180 129.192 119.914 0.163 0.000 2.389 333 V HA 0.249 4.370 4.120 0.001 0.000 0.264 333 V C -2.179 173.987 176.094 0.121 0.000 1.049 333 V CA -1.436 60.941 62.300 0.129 0.000 0.932 333 V CB 0.831 32.758 31.823 0.172 0.000 1.011 333 V HN 0.550 nan 8.190 nan 0.000 0.475 334 P HA 0.199 nan 4.420 nan 0.000 0.286 334 P C 0.745 178.022 177.300 -0.040 0.000 1.269 334 P CA -0.122 63.010 63.100 0.052 0.000 0.787 334 P CB 1.777 33.539 31.700 0.102 0.000 0.920 335 V N 3.030 122.925 119.914 -0.032 0.000 2.427 335 V HA -0.220 3.900 4.120 0.001 0.000 0.248 335 V C 1.476 177.499 176.094 -0.118 0.000 1.051 335 V CA 2.645 64.933 62.300 -0.019 0.000 1.048 335 V CB -0.890 30.978 31.823 0.075 0.000 0.666 335 V HN 0.568 nan 8.190 nan 0.000 0.456 336 D N 0.073 120.293 120.400 -0.302 0.000 2.084 336 D HA -0.216 4.424 4.640 0.001 0.000 0.196 336 D C 2.052 178.105 176.300 -0.411 0.000 0.985 336 D CA 1.706 55.303 54.000 -0.672 0.000 0.826 336 D CB -1.025 38.913 40.800 -1.436 0.000 0.978 336 D HN 0.424 nan 8.370 nan 0.000 0.456 337 L N 1.033 122.057 121.223 -0.331 0.000 2.013 337 L HA -0.160 4.180 4.340 0.001 0.000 0.212 337 L C 1.669 178.354 176.870 -0.309 0.000 1.073 337 L CA 1.865 56.469 54.840 -0.393 0.000 0.753 337 L CB -0.947 40.693 42.059 -0.698 0.000 0.890 337 L HN 0.006 nan 8.230 nan 0.000 0.432 338 N N -1.054 117.524 118.700 -0.204 0.000 2.331 338 N HA -0.108 4.633 4.740 0.001 0.000 0.180 338 N C 1.763 177.258 175.510 -0.026 0.000 1.019 338 N CA 1.284 54.267 53.050 -0.111 0.000 0.881 338 N CB 0.005 38.455 38.487 -0.062 0.000 0.972 338 N HN 0.399 nan 8.380 nan 0.000 0.435 339 S N 1.531 117.227 115.700 -0.008 0.000 2.356 339 S HA -0.017 4.454 4.470 0.001 0.000 0.223 339 S C 2.158 176.831 174.600 0.122 0.000 1.032 339 S CA 0.735 58.993 58.200 0.097 0.000 1.005 339 S CB -0.232 63.092 63.200 0.207 0.000 0.867 339 S HN 0.259 nan 8.310 nan 0.000 0.449 340 L N 0.717 121.949 121.223 0.014 0.000 2.141 340 L HA -0.080 4.260 4.340 0.001 0.000 0.209 340 L C 2.484 179.256 176.870 -0.163 0.000 1.094 340 L CA 0.716 55.483 54.840 -0.121 0.000 0.763 340 L CB -0.476 41.417 42.059 -0.275 0.000 0.908 340 L HN 0.312 nan 8.230 nan 0.000 0.437 341 M N -1.070 118.439 119.600 -0.153 0.000 2.132 341 M HA -0.185 4.296 4.480 0.001 0.000 0.263 341 M C 2.347 178.649 176.300 0.002 0.000 1.065 341 M CA 1.598 56.835 55.300 -0.106 0.000 1.122 341 M CB -1.106 31.436 32.600 -0.096 0.000 1.365 341 M HN 0.177 nan 8.290 nan 0.000 0.411 342 F N 1.663 121.566 119.950 -0.078 0.000 2.065 342 F HA -0.292 4.235 4.527 0.001 0.000 0.298 342 F C 2.434 178.180 175.800 -0.091 0.000 1.112 342 F CA 2.122 60.087 58.000 -0.059 0.000 1.212 342 F CB -0.340 38.635 39.000 -0.042 0.000 0.975 342 F HN 0.037 nan 8.300 nan 0.000 0.476 343 K N 0.369 120.708 120.400 -0.102 0.000 2.057 343 K HA -0.224 4.096 4.320 0.001 0.000 0.207 343 K C 2.323 178.744 176.600 -0.299 0.000 1.049 343 K CA 1.890 58.028 56.287 -0.248 0.000 0.931 343 K CB -0.574 31.828 32.500 -0.163 0.000 0.714 343 K HN 0.475 nan 8.250 nan 0.000 0.440 344 M N 0.262 119.719 119.600 -0.237 0.000 2.080 344 M HA -0.232 4.248 4.480 0.001 0.000 0.260 344 M C 1.616 177.703 176.300 -0.355 0.000 1.068 344 M CA 1.914 57.077 55.300 -0.228 0.000 1.109 344 M CB -0.115 32.411 32.600 -0.122 0.000 1.342 344 M HN 0.195 nan 8.290 nan 0.000 0.405 345 E N -0.036 119.936 120.200 -0.380 0.000 2.051 345 E HA -0.211 4.139 4.350 0.001 0.000 0.192 345 E C 2.024 178.380 176.600 -0.407 0.000 0.991 345 E CA 1.262 57.405 56.400 -0.429 0.000 0.799 345 E CB 0.006 29.549 29.700 -0.261 0.000 0.748 345 E HN 0.375 nan 8.360 nan 0.000 0.449 346 K N 0.538 120.646 120.400 -0.486 0.000 2.032 346 K HA -0.150 4.171 4.320 0.001 0.000 0.209 346 K C 2.177 178.599 176.600 -0.297 0.000 1.048 346 K CA 1.136 57.171 56.287 -0.420 0.000 0.927 346 K CB -0.431 31.744 32.500 -0.542 0.000 0.712 346 K HN 0.248 nan 8.250 nan 0.000 0.441 347 I N 1.054 121.448 120.570 -0.293 0.000 2.252 347 I HA -0.254 3.917 4.170 0.001 0.000 0.245 347 I C 2.380 178.340 176.117 -0.262 0.000 1.102 347 I CA 0.856 62.019 61.300 -0.229 0.000 1.385 347 I CB -0.292 37.590 38.000 -0.196 0.000 1.064 347 I HN 0.035 nan 8.210 nan 0.000 0.414 348 L N 0.564 121.541 121.223 -0.410 0.000 2.079 348 L HA -0.234 4.106 4.340 0.001 0.000 0.210 348 L C 2.871 179.463 176.870 -0.464 0.000 1.081 348 L CA 1.377 55.835 54.840 -0.637 0.000 0.752 348 L CB -0.654 40.625 42.059 -1.300 0.000 0.896 348 L HN 0.267 nan 8.230 nan 0.000 0.433 349 A N -0.209 122.448 122.820 -0.272 0.000 1.858 349 A HA -0.256 4.064 4.320 0.001 0.000 0.216 349 A C 2.439 179.997 177.584 -0.045 0.000 1.190 349 A CA 1.755 53.776 52.037 -0.027 0.000 0.617 349 A CB -0.599 18.387 19.000 -0.024 0.000 0.827 349 A HN 0.303 nan 8.150 nan 0.000 0.443 350 R N -0.598 119.846 120.500 -0.092 0.000 2.083 350 R HA -0.147 4.194 4.340 0.001 0.000 0.237 350 R C 2.403 178.672 176.300 -0.052 0.000 1.137 350 R CA 1.478 57.537 56.100 -0.068 0.000 0.951 350 R CB -0.419 29.831 30.300 -0.084 0.000 0.851 350 R HN 0.489 nan 8.270 nan 0.000 0.434 351 A N 0.012 122.788 122.820 -0.073 0.000 1.902 351 A HA -0.138 4.183 4.320 0.001 0.000 0.217 351 A C 2.230 179.805 177.584 -0.015 0.000 1.181 351 A CA 1.880 53.888 52.037 -0.047 0.000 0.623 351 A CB -0.548 18.412 19.000 -0.067 0.000 0.818 351 A HN 0.378 nan 8.150 nan 0.000 0.443 352 S N -0.573 115.127 115.700 -0.000 0.000 2.370 352 S HA -0.191 4.279 4.470 0.001 0.000 0.226 352 S C 2.024 176.647 174.600 0.038 0.000 1.033 352 S CA 1.748 59.985 58.200 0.061 0.000 1.011 352 S CB -0.252 63.047 63.200 0.165 0.000 0.852 352 S HN 0.677 nan 8.310 nan 0.000 0.457 353 K N 1.206 121.619 120.400 0.021 0.000 2.057 353 K HA -0.034 4.287 4.320 0.001 0.000 0.207 353 K C 2.193 178.794 176.600 0.001 0.000 1.049 353 K CA 1.117 57.410 56.287 0.009 0.000 0.931 353 K CB -0.322 32.178 32.500 -0.000 0.000 0.714 353 K HN 0.302 nan 8.250 nan 0.000 0.440 354 A N 0.853 123.670 122.820 -0.004 0.000 1.972 354 A HA -0.070 4.251 4.320 0.001 0.000 0.219 354 A C 2.151 179.733 177.584 -0.003 0.000 1.169 354 A CA 1.746 53.778 52.037 -0.007 0.000 0.635 354 A CB -0.559 18.434 19.000 -0.012 0.000 0.810 354 A HN 0.453 nan 8.150 nan 0.000 0.446 355 A N -1.952 120.870 122.820 0.004 0.000 2.238 355 A HA 0.410 4.730 4.320 0.001 0.000 0.208 355 A C 1.742 179.331 177.584 0.008 0.000 1.177 355 A CA 1.202 53.243 52.037 0.007 0.000 0.804 355 A CB -0.840 18.171 19.000 0.017 0.000 0.823 355 A HN 1.883 nan 8.150 nan 0.000 0.482 356 G N -0.398 108.406 108.800 0.007 0.000 2.132 356 G HA2 -0.172 3.789 3.960 0.001 0.000 0.234 356 G HA3 -0.172 3.789 3.960 0.001 0.000 0.234 356 G C -0.460 174.446 174.900 0.010 0.000 0.989 356 G CA 0.145 45.249 45.100 0.006 0.000 0.676 356 G HN 0.517 nan 8.290 nan 0.000 0.522 357 D N 0.586 120.997 120.400 0.019 0.000 2.505 357 D HA 0.258 4.898 4.640 0.001 0.000 0.242 357 D C 1.166 177.479 176.300 0.022 0.000 1.136 357 D CA -0.492 53.521 54.000 0.022 0.000 0.954 357 D CB 0.224 41.046 40.800 0.036 0.000 1.002 357 D HN 0.356 nan 8.370 nan 0.000 0.512 358 N N 1.088 119.795 118.700 0.011 0.000 2.223 358 N HA -0.154 4.586 4.740 0.001 0.000 0.185 358 N C 1.985 177.496 175.510 0.003 0.000 1.016 358 N CA 1.052 54.106 53.050 0.008 0.000 0.863 358 N CB 0.152 38.641 38.487 0.002 0.000 0.983 358 N HN 0.320 nan 8.380 nan 0.000 0.429 359 A N 1.044 123.861 122.820 -0.004 0.000 1.883 359 A HA -0.177 4.143 4.320 0.001 0.000 0.217 359 A C 2.175 179.739 177.584 -0.034 0.000 1.186 359 A CA 1.386 53.412 52.037 -0.018 0.000 0.624 359 A CB -0.622 18.368 19.000 -0.018 0.000 0.822 359 A HN 0.304 nan 8.150 nan 0.000 0.444 360 M N -0.590 118.995 119.600 -0.025 0.000 2.175 360 M HA -0.080 4.400 4.480 0.001 0.000 0.264 360 M C 2.273 178.573 176.300 0.001 0.000 1.063 360 M CA 1.454 56.723 55.300 -0.053 0.000 1.119 360 M CB -0.225 32.385 32.600 0.016 0.000 1.377 360 M HN 0.444 nan 8.290 nan 0.000 0.415 361 A N 0.846 123.707 122.820 0.069 0.000 1.883 361 A HA -0.220 4.100 4.320 0.001 0.000 0.217 361 A C 1.763 179.379 177.584 0.054 0.000 1.186 361 A CA 2.176 54.273 52.037 0.099 0.000 0.624 361 A CB -1.023 18.007 19.000 0.049 0.000 0.822 361 A HN 0.601 nan 8.150 nan 0.000 0.444 362 N N -0.235 118.468 118.700 0.006 0.000 2.166 362 N HA -0.157 4.584 4.740 0.001 0.000 0.186 362 N C 1.912 177.402 175.510 -0.034 0.000 1.019 362 N CA 1.578 54.623 53.050 -0.009 0.000 0.856 362 N CB -0.472 38.005 38.487 -0.015 0.000 0.993 362 N HN 0.689 nan 8.380 nan 0.000 0.426 363 Q N -0.500 119.244 119.800 -0.093 0.000 2.050 363 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 363 Q C 1.628 177.530 176.000 -0.164 0.000 0.980 363 Q CA 1.315 57.020 55.803 -0.163 0.000 0.840 363 Q CB -0.225 28.348 28.738 -0.274 0.000 0.898 363 Q HN 0.437 nan 8.270 nan 0.000 0.424 364 Y N 0.676 120.944 120.300 -0.053 0.000 2.224 364 Y HA -0.204 4.346 4.550 0.001 0.000 0.289 364 Y C 2.296 178.134 175.900 -0.103 0.000 1.146 364 Y CA 1.289 59.326 58.100 -0.105 0.000 1.182 364 Y CB -0.204 38.163 38.460 -0.155 0.000 0.983 364 Y HN 0.118 nan 8.280 nan 0.000 0.524 365 E N -0.322 119.916 120.200 0.064 0.000 2.077 365 E HA -0.137 4.214 4.350 0.001 0.000 0.193 365 E C 2.184 178.800 176.600 0.027 0.000 0.989 365 E CA 1.913 58.323 56.400 0.017 0.000 0.800 365 E CB -0.369 29.337 29.700 0.010 0.000 0.746 365 E HN 0.333 nan 8.360 nan 0.000 0.452 366 T N 0.673 115.239 114.554 0.021 0.000 2.746 366 T HA -0.111 4.240 4.350 0.001 0.000 0.267 366 T C 1.873 176.603 174.700 0.050 0.000 1.039 366 T CA 1.249 63.365 62.100 0.027 0.000 1.142 366 T CB -0.274 68.597 68.868 0.005 0.000 0.866 366 T HN 0.109 nan 8.240 nan 0.000 0.444 367 L N 0.783 122.038 121.223 0.054 0.000 2.042 367 L HA -0.121 4.220 4.340 0.001 0.000 0.210 367 L C 3.034 179.973 176.870 0.115 0.000 1.076 367 L CA 1.313 56.211 54.840 0.097 0.000 0.749 367 L CB -0.677 41.469 42.059 0.144 0.000 0.893 367 L HN 0.241 nan 8.230 nan 0.000 0.432 368 A N 0.179 123.043 122.820 0.074 0.000 1.902 368 A HA -0.216 4.104 4.320 0.001 0.000 0.217 368 A C 2.067 179.822 177.584 0.286 0.000 1.181 368 A CA 1.909 53.998 52.037 0.088 0.000 0.623 368 A CB -0.591 18.297 19.000 -0.186 0.000 0.818 368 A HN 0.445 nan 8.150 nan 0.000 0.443 369 N N 0.660 119.470 118.700 0.183 0.000 2.104 369 N HA -0.150 4.590 4.740 0.001 0.000 0.190 369 N C 1.856 177.446 175.510 0.133 0.000 1.024 369 N CA 1.707 54.857 53.050 0.165 0.000 0.853 369 N CB -0.653 37.891 38.487 0.096 0.000 1.008 369 N HN 0.486 nan 8.380 nan 0.000 0.424 370 A N 0.990 123.879 122.820 0.114 0.000 1.933 370 A HA -0.124 4.196 4.320 0.001 0.000 0.218 370 A C 2.308 179.955 177.584 0.106 0.000 1.175 370 A CA 1.592 53.683 52.037 0.091 0.000 0.628 370 A CB -0.418 18.628 19.000 0.076 0.000 0.814 370 A HN 0.235 nan 8.150 nan 0.000 0.444 371 R N -0.146 120.447 120.500 0.156 0.000 2.075 371 R HA -0.139 4.202 4.340 0.001 0.000 0.232 371 R C 2.323 178.681 176.300 0.097 0.000 1.126 371 R CA 1.982 58.180 56.100 0.163 0.000 0.963 371 R CB -0.588 29.870 30.300 0.263 0.000 0.858 371 R HN 0.668 nan 8.270 nan 0.000 0.435 372 Q N 0.126 119.975 119.800 0.083 0.000 2.061 372 Q HA -0.217 4.123 4.340 0.001 0.000 0.204 372 Q C 1.838 177.810 176.000 -0.047 0.000 0.984 372 Q CA 2.486 58.206 55.803 -0.137 0.000 0.846 372 Q CB 0.082 28.736 28.738 -0.140 0.000 0.902 372 Q HN 0.173 nan 8.270 nan 0.000 0.421 373 K N -0.522 119.887 120.400 0.016 0.000 2.063 373 K HA -0.104 4.216 4.320 0.001 0.000 0.208 373 K C 2.143 178.775 176.600 0.054 0.000 1.048 373 K CA 1.057 57.357 56.287 0.023 0.000 0.928 373 K CB -1.347 31.174 32.500 0.035 0.000 0.713 373 K HN 0.669 nan 8.250 nan 0.000 0.442 374 G N 0.842 109.694 108.800 0.087 0.000 2.418 374 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 374 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 374 G C 1.578 176.569 174.900 0.152 0.000 1.158 374 G CA 1.068 46.260 45.100 0.152 0.000 0.771 374 G HN 0.442 nan 8.290 nan 0.000 0.545 375 I N 0.510 121.129 120.570 0.081 0.000 2.179 375 I HA -0.112 4.058 4.170 0.001 0.000 0.242 375 I C 2.673 178.899 176.117 0.182 0.000 1.088 375 I CA 1.028 62.389 61.300 0.102 0.000 1.357 375 I CB -0.134 37.858 38.000 -0.013 0.000 1.051 375 I HN 0.097 nan 8.210 nan 0.000 0.409 376 E N 0.712 120.974 120.200 0.103 0.000 2.204 376 E HA -0.248 4.102 4.350 0.001 0.000 0.195 376 E C 1.979 178.601 176.600 0.036 0.000 0.990 376 E CA 1.100 57.546 56.400 0.077 0.000 0.821 376 E CB -0.114 29.561 29.700 -0.043 0.000 0.750 376 E HN 0.491 nan 8.360 nan 0.000 0.477 377 K N -0.548 119.840 120.400 -0.019 0.000 2.168 377 K HA -0.028 4.293 4.320 0.001 0.000 0.201 377 K C 1.332 177.720 176.600 -0.353 0.000 1.049 377 K CA 0.534 56.686 56.287 -0.223 0.000 0.974 377 K CB 0.161 32.438 32.500 -0.372 0.000 0.792 377 K HN 0.008 nan 8.250 nan 0.000 0.463 378 Y N -0.227 120.077 120.300 0.006 0.000 2.458 378 Y HA 0.256 4.806 4.550 0.001 0.000 0.254 378 Y C 0.879 176.845 175.900 0.109 0.000 1.120 378 Y CA 0.081 58.133 58.100 -0.080 0.000 1.282 378 Y CB 0.782 38.997 38.460 -0.408 0.000 1.109 378 Y HN -0.069 nan 8.280 nan 0.000 0.526 379 L N -0.612 120.787 121.223 0.293 0.000 3.122 379 L HA 0.183 4.523 4.340 0.001 0.000 0.274 379 L C -0.553 176.592 176.870 0.458 0.000 1.222 379 L CA -0.066 54.978 54.840 0.340 0.000 1.028 379 L CB 0.747 42.975 42.059 0.283 0.000 1.386 379 L HN 0.222 nan 8.230 nan 0.000 0.578 380 W N 1.600 122.976 121.300 0.126 0.000 2.656 380 W HA 0.359 5.019 4.660 0.001 0.000 0.327 380 W C -1.245 175.226 176.519 -0.081 0.000 1.041 380 W CA -0.559 56.747 57.345 -0.065 0.000 1.229 380 W CB 1.601 30.920 29.460 -0.236 0.000 1.397 380 W HN -0.112 nan 8.180 nan 0.000 0.479 381 N N 4.345 122.551 118.700 -0.824 0.000 2.485 381 N HA 0.010 4.751 4.740 0.001 0.000 0.243 381 N C 0.541 175.413 175.510 -1.065 0.000 0.987 381 N CA 0.126 52.752 53.050 -0.705 0.000 0.940 381 N CB 1.054 39.193 38.487 -0.581 0.000 1.122 381 N HN 0.454 nan 8.380 nan 0.000 0.509 382 D N 2.415 122.504 120.400 -0.518 0.000 2.234 382 D HA -0.167 4.473 4.640 0.001 0.000 0.205 382 D C 1.388 177.528 176.300 -0.267 0.000 0.962 382 D CA 0.811 54.680 54.000 -0.219 0.000 0.855 382 D CB -0.077 40.798 40.800 0.124 0.000 0.951 382 D HN 0.607 nan 8.370 nan 0.000 0.500 383 Q N -0.093 119.526 119.800 -0.303 0.000 2.030 383 Q HA -0.213 4.127 4.340 0.001 0.000 0.204 383 Q C 1.746 177.491 176.000 -0.425 0.000 0.986 383 Q CA 1.434 57.068 55.803 -0.282 0.000 0.843 383 Q CB 0.048 28.643 28.738 -0.238 0.000 0.904 383 Q HN 0.213 nan 8.270 nan 0.000 0.420 384 Q N -1.007 118.367 119.800 -0.709 0.000 2.331 384 Q HA 0.075 4.415 4.340 0.001 0.000 0.203 384 Q C 0.890 176.173 176.000 -1.196 0.000 0.944 384 Q CA 0.975 56.084 55.803 -1.157 0.000 0.892 384 Q CB 0.430 28.017 28.738 -1.918 0.000 0.983 384 Q HN 0.638 nan 8.270 nan 0.000 0.482 385 G N 1.458 109.665 108.800 -0.987 0.000 2.289 385 G HA2 -0.175 3.786 3.960 0.001 0.000 0.280 385 G HA3 -0.175 3.786 3.960 0.001 0.000 0.280 385 G C -0.683 173.738 174.900 -0.798 0.000 1.089 385 G CA 0.467 45.144 45.100 -0.706 0.000 0.939 385 G HN 0.264 nan 8.290 nan 0.000 0.499 386 W N -2.332 118.222 121.300 -1.243 0.000 3.146 386 W HA 0.747 5.407 4.660 0.001 0.000 0.319 386 W C -0.578 175.418 176.519 -0.872 0.000 1.258 386 W CA -3.250 53.575 57.345 -0.866 0.000 1.189 386 W CB 0.488 29.777 29.460 -0.285 0.000 1.412 386 W HN 0.111 nan 8.180 nan 0.000 0.567 387 Y N 1.972 122.384 120.300 0.186 0.000 2.457 387 Y HA 0.479 5.030 4.550 0.001 0.000 0.341 387 Y C 0.908 176.931 175.900 0.205 0.000 1.240 387 Y CA 1.232 59.487 58.100 0.258 0.000 1.437 387 Y CB 0.676 39.328 38.460 0.319 0.000 1.328 387 Y HN 0.793 nan 8.280 nan 0.000 0.588 388 A N 1.258 124.270 122.820 0.321 0.000 2.586 388 A HA 0.446 4.766 4.320 0.001 0.000 0.290 388 A C -1.542 176.142 177.584 0.166 0.000 1.086 388 A CA -1.102 51.055 52.037 0.201 0.000 0.665 388 A CB 0.958 20.073 19.000 0.190 0.000 1.279 388 A HN 0.580 nan 8.150 nan 0.000 0.423 389 D N -0.222 120.234 120.400 0.094 0.000 2.354 389 D HA 0.392 5.033 4.640 0.001 0.000 0.247 389 D C -1.102 175.309 176.300 0.185 0.000 1.138 389 D CA 0.685 54.754 54.000 0.114 0.000 0.958 389 D CB 0.848 41.678 40.800 0.051 0.000 1.144 389 D HN 0.442 nan 8.370 nan 0.000 0.458 390 Y N 0.636 120.988 120.300 0.086 0.000 2.330 390 Y HA 0.143 4.693 4.550 0.001 0.000 0.336 390 Y C -0.315 175.625 175.900 0.067 0.000 1.036 390 Y CA -0.657 57.501 58.100 0.097 0.000 1.125 390 Y CB 1.139 39.677 38.460 0.131 0.000 1.194 390 Y HN 0.121 nan 8.280 nan 0.000 0.469 391 D N 6.249 126.325 120.400 -0.541 0.000 2.317 391 D HA 0.142 4.782 4.640 0.001 0.000 0.234 391 D C 0.516 176.490 176.300 -0.543 0.000 1.112 391 D CA 0.050 53.814 54.000 -0.393 0.000 0.840 391 D CB 1.132 41.759 40.800 -0.289 0.000 1.078 391 D HN 0.855 nan 8.370 nan 0.000 0.486 392 L N 3.475 124.546 121.223 -0.253 0.000 2.478 392 L HA -0.012 4.329 4.340 0.001 0.000 0.223 392 L C 2.348 178.971 176.870 -0.412 0.000 1.140 392 L CA 0.490 55.215 54.840 -0.193 0.000 0.842 392 L CB 0.035 42.080 42.059 -0.024 0.000 0.953 392 L HN 0.341 nan 8.230 nan 0.000 0.452 393 K N 0.190 120.373 120.400 -0.362 0.000 2.078 393 K HA -0.067 4.253 4.320 0.001 0.000 0.203 393 K C 2.167 178.490 176.600 -0.461 0.000 1.043 393 K CA 1.392 57.475 56.287 -0.340 0.000 0.960 393 K CB 0.178 32.581 32.500 -0.162 0.000 0.761 393 K HN 0.273 nan 8.250 nan 0.000 0.448 394 S N -0.310 115.178 115.700 -0.354 0.000 2.593 394 S HA -0.009 4.461 4.470 0.001 0.000 0.217 394 S C -0.034 174.476 174.600 -0.151 0.000 0.966 394 S CA -0.114 57.959 58.200 -0.211 0.000 0.914 394 S CB -0.341 62.781 63.200 -0.131 0.000 0.776 394 S HN 0.357 nan 8.310 nan 0.000 0.523 395 H N 0.473 119.448 119.070 -0.158 0.000 2.713 395 H HA -0.112 4.445 4.556 0.001 0.000 0.311 395 H C 0.316 175.577 175.328 -0.110 0.000 1.175 395 H CA 1.287 57.271 56.048 -0.107 0.000 1.143 395 H CB -2.536 27.274 29.762 0.081 0.000 1.434 395 H HN 0.901 nan 8.280 nan 0.000 0.418 396 K N -0.133 120.060 120.400 -0.344 0.000 2.508 396 K HA 0.669 4.989 4.320 0.001 0.000 0.260 396 K C -0.036 176.436 176.600 -0.212 0.000 0.949 396 K CA -0.109 56.111 56.287 -0.111 0.000 0.834 396 K CB 1.629 34.101 32.500 -0.047 0.000 1.365 396 K HN 0.082 nan 8.250 nan 0.000 0.437 397 V N 3.066 123.051 119.914 0.119 0.000 2.655 397 V HA 0.238 4.358 4.120 0.001 0.000 0.300 397 V C 0.869 176.973 176.094 0.016 0.000 1.044 397 V CA -0.405 61.986 62.300 0.152 0.000 1.095 397 V CB 0.720 32.634 31.823 0.152 0.000 0.952 397 V HN 0.835 nan 8.190 nan 0.000 0.485 398 R N 2.809 123.321 120.500 0.020 0.000 2.641 398 R HA 0.087 4.428 4.340 0.001 0.000 0.269 398 R C 1.239 177.559 176.300 0.034 0.000 1.074 398 R CA -0.105 55.998 56.100 0.004 0.000 1.133 398 R CB 0.223 30.524 30.300 0.001 0.000 1.029 398 R HN 0.764 nan 8.270 nan 0.000 0.488 399 N N 0.895 119.616 118.700 0.036 0.000 2.376 399 N HA -0.139 4.602 4.740 0.001 0.000 0.177 399 N C -0.007 175.651 175.510 0.247 0.000 1.024 399 N CA 0.667 53.766 53.050 0.081 0.000 0.893 399 N CB 0.313 38.822 38.487 0.035 0.000 0.980 399 N HN 0.464 nan 8.380 nan 0.000 0.439 400 Q N 0.658 120.535 119.800 0.128 0.000 2.311 400 Q HA 0.060 4.400 4.340 0.001 0.000 0.272 400 Q C -0.968 175.018 176.000 -0.023 0.000 1.012 400 Q CA -0.346 55.486 55.803 0.049 0.000 0.891 400 Q CB 0.441 29.163 28.738 -0.026 0.000 1.201 400 Q HN 0.320 nan 8.270 nan 0.000 0.391 401 L N 5.135 126.158 121.223 -0.334 0.000 2.265 401 L HA 0.408 4.749 4.340 0.001 0.000 0.288 401 L C -0.410 176.250 176.870 -0.349 0.000 1.058 401 L CA 0.407 54.803 54.840 -0.741 0.000 0.809 401 L CB 1.199 42.242 42.059 -1.693 0.000 1.179 401 L HN 0.811 nan 8.230 nan 0.000 0.429 402 T N 1.483 115.929 114.554 -0.180 0.000 2.888 402 T HA 0.679 5.029 4.350 0.001 0.000 0.288 402 T C 0.941 175.717 174.700 0.127 0.000 1.063 402 T CA -0.248 61.867 62.100 0.026 0.000 1.010 402 T CB 1.330 70.269 68.868 0.118 0.000 1.214 402 T HN 0.614 nan 8.240 nan 0.000 0.533 403 A N 0.197 123.210 122.820 0.322 0.000 2.125 403 A HA 0.310 4.631 4.320 0.001 0.000 0.219 403 A C 2.438 180.307 177.584 0.476 0.000 1.156 403 A CA 1.625 53.873 52.037 0.352 0.000 0.671 403 A CB -1.451 17.757 19.000 0.346 0.000 0.794 403 A HN 1.329 nan 8.150 nan 0.000 0.459 404 A N -0.235 122.849 122.820 0.440 0.000 2.125 404 A HA 0.196 4.517 4.320 0.001 0.000 0.219 404 A C 2.248 180.020 177.584 0.313 0.000 1.156 404 A CA 1.558 53.760 52.037 0.275 0.000 0.671 404 A CB -0.660 18.185 19.000 -0.258 0.000 0.794 404 A HN 1.019 nan 8.150 nan 0.000 0.459 405 A N -0.820 122.149 122.820 0.248 0.000 2.168 405 A HA 0.131 4.451 4.320 0.001 0.000 0.215 405 A C 1.694 179.456 177.584 0.297 0.000 1.152 405 A CA 0.925 53.125 52.037 0.272 0.000 0.716 405 A CB -0.241 18.882 19.000 0.204 0.000 0.794 405 A HN 0.377 nan 8.150 nan 0.000 0.465 406 L N -1.828 119.567 121.223 0.287 0.000 2.492 406 L HA 0.073 4.413 4.340 0.001 0.000 0.223 406 L C 1.813 178.789 176.870 0.176 0.000 1.132 406 L CA 0.922 55.877 54.840 0.192 0.000 0.850 406 L CB -1.550 40.572 42.059 0.105 0.000 0.966 406 L HN 0.373 nan 8.230 nan 0.000 0.454 407 F N 1.306 121.312 119.950 0.093 0.000 2.126 407 F HA -0.107 4.421 4.527 0.001 0.000 0.299 407 F C -0.089 175.741 175.800 0.048 0.000 1.096 407 F CA 1.553 59.632 58.000 0.131 0.000 1.255 407 F CB -1.816 37.259 39.000 0.124 0.000 0.997 407 F HN 0.172 nan 8.300 nan 0.000 0.479 408 P HA -0.149 nan 4.420 nan 0.000 0.218 408 P C 1.631 178.873 177.300 -0.096 0.000 1.149 408 P CA 1.246 64.199 63.100 -0.245 0.000 0.817 408 P CB 0.021 31.169 31.700 -0.919 0.000 0.785 409 L N -2.457 118.752 121.223 -0.023 0.000 2.072 409 L HA -0.143 4.197 4.340 0.001 0.000 0.205 409 L C 2.442 179.489 176.870 0.295 0.000 1.079 409 L CA 1.611 56.537 54.840 0.142 0.000 0.752 409 L CB -1.809 40.277 42.059 0.046 0.000 0.906 409 L HN -0.065 nan 8.230 nan 0.000 0.436 410 Y N 0.712 121.033 120.300 0.035 0.000 2.151 410 Y HA -0.243 4.307 4.550 0.001 0.000 0.284 410 Y C 2.231 178.153 175.900 0.037 0.000 1.166 410 Y CA 1.873 59.961 58.100 -0.021 0.000 1.163 410 Y CB -0.276 38.081 38.460 -0.172 0.000 0.974 410 Y HN 0.083 nan 8.280 nan 0.000 0.511 411 V N -2.350 117.580 119.914 0.027 0.000 3.633 411 V HA 0.176 4.296 4.120 0.001 0.000 0.283 411 V C 0.433 176.615 176.094 0.146 0.000 1.305 411 V CA 0.620 62.925 62.300 0.009 0.000 1.153 411 V CB -0.797 31.136 31.823 0.182 0.000 0.950 411 V HN 0.556 nan 8.190 nan 0.000 0.432 412 N N 0.158 118.942 118.700 0.140 0.000 2.747 412 N HA -0.231 4.509 4.740 0.001 0.000 0.249 412 N C 0.935 176.533 175.510 0.146 0.000 1.107 412 N CA 1.130 54.283 53.050 0.172 0.000 0.707 412 N CB -1.277 37.242 38.487 0.054 0.000 1.054 412 N HN 0.840 nan 8.380 nan 0.000 0.555 413 A N -0.755 122.023 122.820 -0.070 0.000 2.095 413 A HA 0.471 4.792 4.320 0.001 0.000 0.212 413 A C 1.243 178.700 177.584 -0.212 0.000 1.162 413 A CA 1.013 52.768 52.037 -0.470 0.000 0.753 413 A CB 0.256 18.683 19.000 -0.954 0.000 0.840 413 A HN 0.535 nan 8.150 nan 0.000 0.468 414 A N 0.426 123.205 122.820 -0.068 0.000 2.440 414 A HA 0.584 4.905 4.320 0.001 0.000 0.251 414 A C 0.796 178.393 177.584 0.020 0.000 1.089 414 A CA 0.113 52.118 52.037 -0.055 0.000 0.779 414 A CB -0.252 18.641 19.000 -0.179 0.000 1.022 414 A HN 1.289 nan 8.150 nan 0.000 0.492 415 A N 2.195 124.994 122.820 -0.034 0.000 2.520 415 A HA 0.228 4.548 4.320 0.001 0.000 0.235 415 A C 1.226 178.789 177.584 -0.036 0.000 1.065 415 A CA 0.448 52.458 52.037 -0.045 0.000 0.764 415 A CB 0.030 18.938 19.000 -0.153 0.000 1.002 415 A HN 0.935 nan 8.150 nan 0.000 0.502 416 K N 0.607 121.044 120.400 0.063 0.000 2.063 416 K HA -0.196 4.125 4.320 0.001 0.000 0.208 416 K C 1.524 178.120 176.600 -0.007 0.000 1.048 416 K CA 1.829 58.180 56.287 0.105 0.000 0.928 416 K CB -0.150 32.433 32.500 0.138 0.000 0.713 416 K HN 0.934 nan 8.250 nan 0.000 0.442 417 D N 0.860 121.231 120.400 -0.049 0.000 2.144 417 D HA -0.210 4.430 4.640 0.001 0.000 0.199 417 D C 1.727 177.969 176.300 -0.097 0.000 0.984 417 D CA 1.262 55.224 54.000 -0.063 0.000 0.834 417 D CB -0.328 40.427 40.800 -0.075 0.000 0.955 417 D HN 0.163 nan 8.370 nan 0.000 0.465 418 R N 0.629 120.997 120.500 -0.222 0.000 2.092 418 R HA 0.077 4.417 4.340 0.001 0.000 0.231 418 R C 2.636 178.921 176.300 -0.024 0.000 1.119 418 R CA 1.228 57.150 56.100 -0.296 0.000 0.970 418 R CB -0.419 29.396 30.300 -0.809 0.000 0.864 418 R HN 0.259 nan 8.270 nan 0.000 0.440 419 A N 1.839 124.576 122.820 -0.139 0.000 1.940 419 A HA -0.216 4.104 4.320 0.001 0.000 0.219 419 A C 1.707 179.269 177.584 -0.036 0.000 1.176 419 A CA 1.665 53.565 52.037 -0.228 0.000 0.631 419 A CB -0.458 18.073 19.000 -0.781 0.000 0.814 419 A HN 0.256 nan 8.150 nan 0.000 0.446 420 N N -0.018 118.682 118.700 0.000 0.000 2.142 420 N HA -0.115 4.626 4.740 0.001 0.000 0.186 420 N C 1.597 177.163 175.510 0.092 0.000 1.023 420 N CA 1.581 54.663 53.050 0.053 0.000 0.852 420 N CB -0.361 38.155 38.487 0.048 0.000 0.998 420 N HN 0.579 nan 8.380 nan 0.000 0.424 421 K N -0.010 120.467 120.400 0.128 0.000 2.097 421 K HA 0.020 4.340 4.320 0.001 0.000 0.206 421 K C 1.841 178.583 176.600 0.237 0.000 1.049 421 K CA 0.853 57.259 56.287 0.199 0.000 0.933 421 K CB -0.026 32.654 32.500 0.300 0.000 0.717 421 K HN 0.065 nan 8.250 nan 0.000 0.442 422 M N 0.343 120.095 119.600 0.252 0.000 2.159 422 M HA -0.084 4.396 4.480 0.001 0.000 0.263 422 M C 2.334 178.735 176.300 0.167 0.000 1.063 422 M CA 1.386 56.838 55.300 0.253 0.000 1.110 422 M CB -1.056 31.711 32.600 0.279 0.000 1.374 422 M HN 0.175 nan 8.290 nan 0.000 0.411 423 A N -0.222 122.672 122.820 0.124 0.000 1.877 423 A HA -0.157 4.164 4.320 0.001 0.000 0.216 423 A C 2.315 179.952 177.584 0.089 0.000 1.186 423 A CA 2.374 54.466 52.037 0.091 0.000 0.620 423 A CB -1.151 17.894 19.000 0.076 0.000 0.822 423 A HN 0.490 nan 8.150 nan 0.000 0.443 424 T N 0.380 114.996 114.554 0.104 0.000 2.708 424 T HA -0.012 4.338 4.350 0.001 0.000 0.266 424 T C 2.224 176.995 174.700 0.119 0.000 1.037 424 T CA 1.611 63.769 62.100 0.097 0.000 1.146 424 T CB -0.500 68.430 68.868 0.102 0.000 0.865 424 T HN 0.601 nan 8.240 nan 0.000 0.435 425 A N 1.433 124.371 122.820 0.197 0.000 1.902 425 A HA -0.127 4.193 4.320 0.001 0.000 0.217 425 A C 2.563 180.236 177.584 0.148 0.000 1.181 425 A CA 2.064 54.265 52.037 0.273 0.000 0.623 425 A CB -1.308 17.919 19.000 0.378 0.000 0.818 425 A HN 0.473 nan 8.150 nan 0.000 0.443 426 T N -0.345 114.268 114.554 0.098 0.000 2.652 426 T HA -0.168 4.183 4.350 0.001 0.000 0.267 426 T C 2.010 176.729 174.700 0.032 0.000 1.039 426 T CA 1.738 63.870 62.100 0.054 0.000 1.153 426 T CB -0.199 68.700 68.868 0.051 0.000 0.863 426 T HN 0.542 nan 8.240 nan 0.000 0.428 427 K N 0.185 120.601 120.400 0.026 0.000 2.032 427 K HA -0.133 4.187 4.320 0.001 0.000 0.209 427 K C 2.474 179.058 176.600 -0.027 0.000 1.048 427 K CA 1.629 57.918 56.287 0.003 0.000 0.927 427 K CB -0.233 32.272 32.500 0.009 0.000 0.712 427 K HN 0.258 nan 8.250 nan 0.000 0.441 428 T N -0.376 114.136 114.554 -0.070 0.000 2.777 428 T HA -0.083 4.268 4.350 0.001 0.000 0.266 428 T C 1.375 175.886 174.700 -0.314 0.000 1.040 428 T CA 1.046 63.008 62.100 -0.231 0.000 1.141 428 T CB -0.100 68.552 68.868 -0.360 0.000 0.868 428 T HN 0.326 nan 8.240 nan 0.000 0.444 429 H N -0.946 118.113 119.070 -0.018 0.000 2.788 429 H HA 0.396 4.952 4.556 0.001 0.000 0.262 429 H C 1.735 177.032 175.328 -0.051 0.000 0.968 429 H CA 0.383 56.398 56.048 -0.054 0.000 1.218 429 H CB 0.601 30.272 29.762 -0.152 0.000 1.443 429 H HN 0.253 nan 8.280 nan 0.000 0.478 430 L N 0.409 121.673 121.223 0.067 0.000 2.717 430 L HA 0.135 4.476 4.340 0.001 0.000 0.239 430 L C 0.216 177.108 176.870 0.037 0.000 1.086 430 L CA -0.134 54.729 54.840 0.038 0.000 0.897 430 L CB 0.664 42.735 42.059 0.021 0.000 1.214 430 L HN -0.026 nan 8.230 nan 0.000 0.508 431 L N 1.633 122.876 121.223 0.033 0.000 2.462 431 L HA 0.170 4.510 4.340 0.001 0.000 0.272 431 L C -0.181 176.741 176.870 0.086 0.000 1.166 431 L CA 0.927 55.793 54.840 0.043 0.000 0.880 431 L CB 0.141 42.206 42.059 0.009 0.000 1.142 431 L HN 0.082 nan 8.230 nan 0.000 0.473 432 Q N 5.353 125.233 119.800 0.134 0.000 2.528 432 Q HA 0.434 4.775 4.340 0.001 0.000 0.289 432 Q C -2.053 174.071 176.000 0.207 0.000 1.091 432 Q CA -1.770 54.111 55.803 0.131 0.000 0.797 432 Q CB 1.463 30.247 28.738 0.078 0.000 1.466 432 Q HN 0.305 nan 8.270 nan 0.000 0.436 433 P HA -0.086 nan 4.420 nan 0.000 0.218 433 P C 0.725 177.986 177.300 -0.064 0.000 1.148 433 P CA 1.457 64.515 63.100 -0.071 0.000 0.822 433 P CB 0.254 31.910 31.700 -0.073 0.000 0.784 434 G N -2.194 106.627 108.800 0.035 0.000 3.337 434 G HA2 0.486 4.447 3.960 0.001 0.000 0.246 434 G HA3 0.486 4.447 3.960 0.001 0.000 0.246 434 G C 0.501 175.491 174.900 0.151 0.000 1.131 434 G CA 0.335 45.458 45.100 0.038 0.000 0.773 434 G HN 0.551 nan 8.290 nan 0.000 0.544 435 G N -0.620 108.312 108.800 0.219 0.000 2.302 435 G HA2 0.222 4.182 3.960 0.001 0.000 0.276 435 G HA3 0.222 4.182 3.960 0.001 0.000 0.276 435 G C -1.416 173.551 174.900 0.111 0.000 1.316 435 G CA -0.597 44.641 45.100 0.230 0.000 0.988 435 G HN 0.700 nan 8.290 nan 0.000 0.479 436 L N 1.091 122.326 121.223 0.020 0.000 2.290 436 L HA 0.609 4.949 4.340 0.001 0.000 0.284 436 L C 0.447 177.310 176.870 -0.011 0.000 1.078 436 L CA -0.759 54.077 54.840 -0.007 0.000 0.815 436 L CB 0.792 42.822 42.059 -0.048 0.000 1.162 436 L HN 0.602 nan 8.230 nan 0.000 0.435 437 N N 2.549 121.257 118.700 0.013 0.000 2.479 437 N HA 0.071 4.812 4.740 0.001 0.000 0.257 437 N C 0.771 176.292 175.510 0.019 0.000 1.232 437 N CA 0.290 53.345 53.050 0.009 0.000 0.920 437 N CB 1.509 40.009 38.487 0.021 0.000 1.105 437 N HN 0.744 nan 8.380 nan 0.000 0.444 438 T N -0.106 114.456 114.554 0.013 0.000 2.812 438 T HA -0.036 4.314 4.350 0.001 0.000 0.264 438 T C 0.804 175.582 174.700 0.131 0.000 1.042 438 T CA 1.558 63.676 62.100 0.031 0.000 1.140 438 T CB -0.063 68.774 68.868 -0.052 0.000 0.870 438 T HN 0.813 nan 8.240 nan 0.000 0.445 439 T N -1.151 113.460 114.554 0.095 0.000 2.696 439 T HA 0.461 4.812 4.350 0.001 0.000 0.291 439 T C 0.417 175.134 174.700 0.028 0.000 1.095 439 T CA -0.203 61.943 62.100 0.076 0.000 1.026 439 T CB 1.604 70.530 68.868 0.097 0.000 1.390 439 T HN -0.026 nan 8.240 nan 0.000 0.513 440 S N -0.776 114.923 115.700 -0.002 0.000 2.575 440 S HA 0.418 4.888 4.470 0.001 0.000 0.237 440 S C -0.018 174.592 174.600 0.017 0.000 0.975 440 S CA -0.479 57.725 58.200 0.007 0.000 0.960 440 S CB -0.265 62.933 63.200 -0.003 0.000 0.822 440 S HN 0.638 nan 8.310 nan 0.000 0.472 441 V N 2.419 122.348 119.914 0.025 0.000 2.347 441 V HA 0.384 4.504 4.120 0.001 0.000 0.280 441 V C 0.116 176.236 176.094 0.044 0.000 1.021 441 V CA -0.661 61.658 62.300 0.032 0.000 0.847 441 V CB 1.410 33.253 31.823 0.033 0.000 0.990 441 V HN 0.371 nan 8.190 nan 0.000 0.444 442 K N 3.164 123.586 120.400 0.037 0.000 2.142 442 K HA 0.151 4.471 4.320 0.001 0.000 0.250 442 K C 1.253 177.880 176.600 0.045 0.000 1.148 442 K CA 0.104 56.414 56.287 0.038 0.000 1.040 442 K CB 0.263 32.778 32.500 0.026 0.000 1.569 442 K HN 0.841 nan 8.250 nan 0.000 0.361 443 S N 1.587 117.325 115.700 0.063 0.000 2.496 443 S HA 0.078 4.549 4.470 0.001 0.000 0.224 443 S C 1.411 176.057 174.600 0.076 0.000 0.996 443 S CA 0.441 58.685 58.200 0.073 0.000 0.927 443 S CB 0.048 63.308 63.200 0.100 0.000 0.774 443 S HN 0.785 nan 8.310 nan 0.000 0.524 444 G N 0.252 109.096 108.800 0.074 0.000 2.195 444 G HA2 -0.190 3.770 3.960 0.001 0.000 0.246 444 G HA3 -0.190 3.770 3.960 0.001 0.000 0.246 444 G C -0.049 174.919 174.900 0.112 0.000 0.984 444 G CA 0.058 45.203 45.100 0.075 0.000 0.633 444 G HN 0.515 nan 8.290 nan 0.000 0.525 445 Q N 0.025 119.917 119.800 0.153 0.000 2.221 445 Q HA 0.451 4.791 4.340 0.001 0.000 0.242 445 Q C 1.320 177.449 176.000 0.215 0.000 0.940 445 Q CA -0.585 55.359 55.803 0.235 0.000 0.896 445 Q CB 0.805 29.735 28.738 0.319 0.000 1.226 445 Q HN 0.371 nan 8.270 nan 0.000 0.463 446 Q N 0.235 120.201 119.800 0.276 0.000 2.079 446 Q HA -0.116 4.224 4.340 0.001 0.000 0.200 446 Q C 0.110 176.180 176.000 0.116 0.000 0.974 446 Q CA 1.227 57.165 55.803 0.225 0.000 0.840 446 Q CB 0.108 29.052 28.738 0.345 0.000 0.898 446 Q HN 0.549 nan 8.270 nan 0.000 0.430 447 W N 1.971 123.375 121.300 0.173 0.000 1.705 447 W HA 0.266 4.926 4.660 0.000 0.000 0.361 447 W C -0.395 176.161 176.519 0.062 0.000 0.690 447 W CA -0.286 57.048 57.345 -0.018 0.000 1.989 447 W CB 0.423 29.758 29.460 -0.208 0.000 1.903 447 W HN -0.103 nan 8.180 nan 0.000 0.364 448 D N -0.631 119.860 120.400 0.152 0.000 2.671 448 D HA 0.331 4.972 4.640 0.001 0.000 0.273 448 D C -0.558 175.777 176.300 0.059 0.000 1.264 448 D CA -0.705 53.372 54.000 0.129 0.000 0.788 448 D CB 1.418 42.304 40.800 0.144 0.000 1.324 448 D HN -0.067 nan 8.370 nan 0.000 0.424 449 A N 1.285 124.133 122.820 0.047 0.000 2.561 449 A HA 0.277 4.598 4.320 0.001 0.000 0.234 449 A C -1.710 175.879 177.584 0.009 0.000 1.055 449 A CA -0.129 51.920 52.037 0.019 0.000 0.756 449 A CB -0.051 18.964 19.000 0.024 0.000 0.986 449 A HN 0.331 nan 8.150 nan 0.000 0.505 450 P HA 0.074 nan 4.420 nan 0.000 0.263 450 P C -0.568 176.689 177.300 -0.072 0.000 1.448 450 P CA -0.276 62.807 63.100 -0.029 0.000 0.983 450 P CB -0.013 31.671 31.700 -0.027 0.000 1.481 451 N N 0.951 119.587 118.700 -0.108 0.000 2.497 451 N HA 0.268 5.009 4.740 0.001 0.000 0.271 451 N C 0.627 175.983 175.510 -0.257 0.000 1.142 451 N CA 0.446 53.343 53.050 -0.254 0.000 0.965 451 N CB 1.126 39.443 38.487 -0.284 0.000 1.077 451 N HN 0.075 nan 8.380 nan 0.000 0.462 452 G N 1.287 109.889 108.800 -0.330 0.000 2.478 452 G HA2 0.488 4.448 3.960 0.001 0.000 0.317 452 G HA3 0.488 4.448 3.960 0.001 0.000 0.317 452 G C -1.448 173.192 174.900 -0.433 0.000 1.259 452 G CA -0.589 44.372 45.100 -0.232 0.000 0.933 452 G HN 0.465 nan 8.290 nan 0.000 0.478 453 W N 2.045 123.065 121.300 -0.467 0.000 2.471 453 W HA 0.510 5.170 4.660 0.000 0.000 0.318 453 W C 1.006 177.036 176.519 -0.814 0.000 1.034 453 W CA -0.297 56.662 57.345 -0.645 0.000 1.224 453 W CB 2.170 31.058 29.460 -0.953 0.000 1.335 453 W HN 0.771 nan 8.180 nan 0.000 0.452 454 A N 5.694 128.152 122.820 -0.603 0.000 1.909 454 A HA -0.267 4.054 4.320 0.001 0.000 0.221 454 A C -0.156 176.901 177.584 -0.879 0.000 1.223 454 A CA 2.344 53.931 52.037 -0.750 0.000 0.658 454 A CB -1.911 16.902 19.000 -0.312 0.000 0.831 454 A HN 0.511 nan 8.150 nan 0.000 0.462 455 P HA -0.150 nan 4.420 nan 0.000 0.216 455 P C 1.534 178.422 177.300 -0.687 0.000 1.150 455 P CA 1.238 63.334 63.100 -1.672 0.000 0.837 455 P CB -0.268 30.065 31.700 -2.279 0.000 0.786 456 L N -0.866 120.098 121.223 -0.431 0.000 2.156 456 L HA -0.143 4.197 4.340 0.001 0.000 0.208 456 L C 2.907 179.657 176.870 -0.200 0.000 1.095 456 L CA 1.138 55.904 54.840 -0.124 0.000 0.770 456 L CB -1.064 41.007 42.059 0.020 0.000 0.914 456 L HN -0.038 nan 8.230 nan 0.000 0.439 457 Q N -0.419 119.165 119.800 -0.360 0.000 2.050 457 Q HA -0.263 4.077 4.340 0.001 0.000 0.202 457 Q C 1.996 177.917 176.000 -0.132 0.000 0.980 457 Q CA 1.850 57.450 55.803 -0.338 0.000 0.840 457 Q CB -0.713 27.602 28.738 -0.705 0.000 0.898 457 Q HN 0.659 nan 8.270 nan 0.000 0.424 458 W N 1.096 122.222 121.300 -0.289 0.000 2.379 458 W HA -0.141 4.520 4.660 0.001 0.000 0.307 458 W C 1.879 178.325 176.519 -0.122 0.000 1.200 458 W CA 1.070 58.348 57.345 -0.112 0.000 1.297 458 W CB 0.188 29.670 29.460 0.037 0.000 1.140 458 W HN -0.061 nan 8.180 nan 0.000 0.507 459 V N 1.578 121.327 119.914 -0.275 0.000 2.332 459 V HA -0.314 3.807 4.120 0.001 0.000 0.248 459 V C 2.641 178.464 176.094 -0.451 0.000 1.055 459 V CA 2.300 64.152 62.300 -0.747 0.000 1.038 459 V CB -1.513 29.735 31.823 -0.959 0.000 0.651 459 V HN 0.276 nan 8.190 nan 0.000 0.450 460 A N -0.588 122.076 122.820 -0.259 0.000 1.877 460 A HA -0.227 4.093 4.320 0.001 0.000 0.216 460 A C 2.405 179.911 177.584 -0.130 0.000 1.186 460 A CA 2.528 54.488 52.037 -0.129 0.000 0.620 460 A CB -1.049 17.910 19.000 -0.069 0.000 0.822 460 A HN 0.488 nan 8.150 nan 0.000 0.443 461 T N -0.025 114.413 114.554 -0.193 0.000 2.652 461 T HA -0.134 4.217 4.350 0.001 0.000 0.267 461 T C 1.885 176.424 174.700 -0.269 0.000 1.039 461 T CA 1.609 63.584 62.100 -0.208 0.000 1.153 461 T CB -0.247 68.490 68.868 -0.220 0.000 0.863 461 T HN 0.474 nan 8.240 nan 0.000 0.428 462 E N 0.592 120.520 120.200 -0.452 0.000 2.072 462 E HA -0.027 4.324 4.350 0.001 0.000 0.191 462 E C 2.594 179.176 176.600 -0.030 0.000 0.985 462 E CA 1.091 57.298 56.400 -0.322 0.000 0.801 462 E CB -0.857 28.620 29.700 -0.371 0.000 0.750 462 E HN 0.554 nan 8.360 nan 0.000 0.452 463 G N 1.572 110.410 108.800 0.063 0.000 2.476 463 G HA2 -0.250 3.711 3.960 0.001 0.000 0.218 463 G HA3 -0.250 3.711 3.960 0.001 0.000 0.218 463 G C 1.768 176.779 174.900 0.185 0.000 1.164 463 G CA 0.793 45.991 45.100 0.163 0.000 0.768 463 G HN 0.168 nan 8.290 nan 0.000 0.560 464 L N -0.465 120.812 121.223 0.090 0.000 2.056 464 L HA -0.086 4.255 4.340 0.001 0.000 0.207 464 L C 3.079 180.015 176.870 0.110 0.000 1.078 464 L CA 1.159 56.061 54.840 0.104 0.000 0.749 464 L CB -0.465 41.623 42.059 0.049 0.000 0.901 464 L HN 0.258 nan 8.230 nan 0.000 0.433 465 Q N 0.005 119.830 119.800 0.043 0.000 2.096 465 Q HA -0.225 4.115 4.340 0.001 0.000 0.204 465 Q C 1.927 177.942 176.000 0.024 0.000 0.982 465 Q CA 1.545 57.362 55.803 0.022 0.000 0.850 465 Q CB -0.031 28.688 28.738 -0.031 0.000 0.901 465 Q HN 0.492 nan 8.270 nan 0.000 0.422 466 N N -0.574 118.141 118.700 0.026 0.000 2.348 466 N HA -0.152 4.589 4.740 0.001 0.000 0.185 466 N C 0.206 175.563 175.510 -0.254 0.000 1.019 466 N CA 1.167 54.158 53.050 -0.098 0.000 0.880 466 N CB 0.003 38.426 38.487 -0.106 0.000 0.965 466 N HN 0.354 nan 8.380 nan 0.000 0.437 467 Y N -1.105 119.203 120.300 0.013 0.000 2.696 467 Y HA 0.347 4.897 4.550 0.001 0.000 0.260 467 Y C 1.426 177.340 175.900 0.023 0.000 1.165 467 Y CA -0.244 57.869 58.100 0.021 0.000 1.189 467 Y CB 0.441 38.921 38.460 0.033 0.000 1.180 467 Y HN 0.010 nan 8.280 nan 0.000 0.538 468 G N 0.196 109.058 108.800 0.104 0.000 2.166 468 G HA2 -0.286 3.674 3.960 0.001 0.000 0.260 468 G HA3 -0.286 3.674 3.960 0.001 0.000 0.260 468 G C 0.435 175.384 174.900 0.083 0.000 0.986 468 G CA -0.045 45.100 45.100 0.074 0.000 0.683 468 G HN 0.296 nan 8.290 nan 0.000 0.527 469 Q N 0.014 119.876 119.800 0.102 0.000 3.247 469 Q HA 0.208 4.549 4.340 0.001 0.000 0.326 469 Q C 1.682 177.719 176.000 0.061 0.000 1.402 469 Q CA 0.113 55.965 55.803 0.082 0.000 0.994 469 Q CB 0.548 29.341 28.738 0.092 0.000 1.647 469 Q HN 0.710 nan 8.270 nan 0.000 0.523 470 K N 0.563 120.997 120.400 0.056 0.000 2.057 470 K HA -0.205 4.115 4.320 0.001 0.000 0.207 470 K C 1.826 178.459 176.600 0.055 0.000 1.049 470 K CA 1.497 57.817 56.287 0.054 0.000 0.931 470 K CB 0.382 32.915 32.500 0.055 0.000 0.714 470 K HN 0.201 nan 8.250 nan 0.000 0.440 471 E N -0.065 120.162 120.200 0.045 0.000 2.023 471 E HA -0.140 4.211 4.350 0.001 0.000 0.196 471 E C 1.969 178.583 176.600 0.024 0.000 1.003 471 E CA 1.570 57.991 56.400 0.034 0.000 0.809 471 E CB -0.557 29.157 29.700 0.024 0.000 0.755 471 E HN 0.348 nan 8.360 nan 0.000 0.449 472 V N 1.113 121.039 119.914 0.020 0.000 2.343 472 V HA -0.163 3.958 4.120 0.001 0.000 0.247 472 V C 2.782 178.876 176.094 0.000 0.000 1.051 472 V CA 1.890 64.191 62.300 0.001 0.000 1.036 472 V CB -1.253 30.578 31.823 0.014 0.000 0.654 472 V HN 0.597 nan 8.190 nan 0.000 0.451 473 A N -0.252 122.580 122.820 0.020 0.000 1.883 473 A HA -0.218 4.103 4.320 0.001 0.000 0.217 473 A C 2.235 179.848 177.584 0.048 0.000 1.186 473 A CA 2.107 54.153 52.037 0.015 0.000 0.624 473 A CB -0.464 18.542 19.000 0.011 0.000 0.822 473 A HN 0.402 nan 8.150 nan 0.000 0.444 474 M N -0.202 119.455 119.600 0.095 0.000 2.175 474 M HA -0.095 4.385 4.480 0.001 0.000 0.264 474 M C 1.400 177.851 176.300 0.251 0.000 1.063 474 M CA 1.262 56.690 55.300 0.214 0.000 1.119 474 M CB -1.488 31.267 32.600 0.258 0.000 1.377 474 M HN 0.336 nan 8.290 nan 0.000 0.415 475 D N 0.716 121.154 120.400 0.063 0.000 2.104 475 D HA -0.105 4.535 4.640 0.001 0.000 0.194 475 D C 2.109 178.266 176.300 -0.239 0.000 0.994 475 D CA 1.188 55.096 54.000 -0.153 0.000 0.830 475 D CB -0.255 40.383 40.800 -0.270 0.000 0.959 475 D HN 0.338 nan 8.370 nan 0.000 0.452 476 I N 0.616 121.127 120.570 -0.098 0.000 2.142 476 I HA -0.273 3.897 4.170 0.001 0.000 0.240 476 I C 2.426 178.591 176.117 0.080 0.000 1.078 476 I CA 0.918 62.196 61.300 -0.037 0.000 1.343 476 I CB -0.191 37.790 38.000 -0.031 0.000 1.046 476 I HN -0.095 nan 8.210 nan 0.000 0.405 477 S N -0.222 115.536 115.700 0.097 0.000 2.353 477 S HA -0.239 4.232 4.470 0.001 0.000 0.222 477 S C 1.632 176.290 174.600 0.096 0.000 1.035 477 S CA 1.677 59.940 58.200 0.104 0.000 1.025 477 S CB -0.492 62.742 63.200 0.056 0.000 0.902 477 S HN 0.421 nan 8.310 nan 0.000 0.440 478 W N 1.435 122.789 121.300 0.091 0.000 2.358 478 W HA -0.063 4.598 4.660 0.001 0.000 0.303 478 W C 2.441 179.061 176.519 0.168 0.000 1.208 478 W CA 1.205 58.620 57.345 0.117 0.000 1.274 478 W CB -0.685 28.855 29.460 0.134 0.000 1.138 478 W HN 0.512 nan 8.180 nan 0.000 0.515 479 H N -2.119 117.091 119.070 0.232 0.000 2.321 479 H HA -0.211 4.346 4.556 0.001 0.000 0.300 479 H C 2.059 177.414 175.328 0.045 0.000 1.087 479 H CA 1.457 57.574 56.048 0.114 0.000 1.319 479 H CB -0.670 29.154 29.762 0.105 0.000 1.379 479 H HN 0.087 nan 8.280 nan 0.000 0.501 480 F N 1.539 121.516 119.950 0.045 0.000 2.146 480 F HA -0.140 4.387 4.527 0.001 0.000 0.298 480 F C 2.268 177.942 175.800 -0.210 0.000 1.096 480 F CA 0.939 58.869 58.000 -0.117 0.000 1.275 480 F CB -0.478 38.453 39.000 -0.115 0.000 1.008 480 F HN -0.016 nan 8.300 nan 0.000 0.480 481 L N -0.665 120.472 121.223 -0.143 0.000 2.083 481 L HA -0.239 4.101 4.340 0.001 0.000 0.209 481 L C 2.298 178.969 176.870 -0.331 0.000 1.083 481 L CA 1.804 56.471 54.840 -0.288 0.000 0.752 481 L CB -1.017 40.902 42.059 -0.233 0.000 0.899 481 L HN 0.149 nan 8.230 nan 0.000 0.433 482 T N -0.828 113.579 114.554 -0.244 0.000 2.746 482 T HA -0.169 4.181 4.350 0.001 0.000 0.267 482 T C 1.749 176.084 174.700 -0.608 0.000 1.039 482 T CA 1.327 63.203 62.100 -0.373 0.000 1.142 482 T CB -0.257 68.461 68.868 -0.249 0.000 0.866 482 T HN 0.253 nan 8.240 nan 0.000 0.444 483 N N 1.014 119.423 118.700 -0.485 0.000 2.069 483 N HA -0.093 4.648 4.740 0.001 0.000 0.191 483 N C 1.850 177.050 175.510 -0.517 0.000 1.031 483 N CA 1.036 53.816 53.050 -0.450 0.000 0.852 483 N CB -0.632 37.580 38.487 -0.458 0.000 1.018 483 N HN 0.191 nan 8.380 nan 0.000 0.423 484 V N 0.790 120.218 119.914 -0.809 0.000 2.343 484 V HA -0.205 3.915 4.120 0.001 0.000 0.247 484 V C 2.486 178.436 176.094 -0.241 0.000 1.051 484 V CA 1.831 63.705 62.300 -0.709 0.000 1.036 484 V CB -0.630 30.700 31.823 -0.822 0.000 0.654 484 V HN 0.359 nan 8.190 nan 0.000 0.451 485 Q N -0.313 119.354 119.800 -0.221 0.000 2.084 485 Q HA -0.198 4.142 4.340 0.001 0.000 0.202 485 Q C 2.078 178.146 176.000 0.114 0.000 0.978 485 Q CA 2.041 57.826 55.803 -0.029 0.000 0.844 485 Q CB -0.411 28.299 28.738 -0.047 0.000 0.898 485 Q HN 0.781 nan 8.270 nan 0.000 0.426 486 H N -1.540 117.506 119.070 -0.039 0.000 2.319 486 H HA -0.101 4.456 4.556 0.001 0.000 0.299 486 H C 1.849 177.168 175.328 -0.015 0.000 1.092 486 H CA 1.349 57.382 56.048 -0.025 0.000 1.302 486 H CB 0.159 29.898 29.762 -0.038 0.000 1.373 486 H HN 0.283 nan 8.280 nan 0.000 0.497 487 T N 0.278 114.917 114.554 0.142 0.000 2.746 487 T HA -0.215 4.136 4.350 0.001 0.000 0.267 487 T C 1.691 176.430 174.700 0.065 0.000 1.039 487 T CA 1.324 63.486 62.100 0.103 0.000 1.142 487 T CB -0.507 68.470 68.868 0.182 0.000 0.866 487 T HN 0.359 nan 8.240 nan 0.000 0.444 488 Y N 2.351 122.638 120.300 -0.022 0.000 2.165 488 Y HA -0.196 4.355 4.550 0.000 0.000 0.286 488 Y C 2.002 177.855 175.900 -0.077 0.000 1.155 488 Y CA 1.467 59.518 58.100 -0.082 0.000 1.164 488 Y CB -0.504 37.886 38.460 -0.115 0.000 0.978 488 Y HN 0.145 nan 8.280 nan 0.000 0.513 489 D N -0.351 119.973 120.400 -0.127 0.000 2.149 489 D HA -0.145 4.495 4.640 0.001 0.000 0.198 489 D C 2.027 178.194 176.300 -0.223 0.000 0.990 489 D CA 1.599 55.492 54.000 -0.179 0.000 0.839 489 D CB -0.135 40.648 40.800 -0.030 0.000 0.948 489 D HN 0.429 nan 8.370 nan 0.000 0.460 490 R N -0.315 120.089 120.500 -0.159 0.000 2.307 490 R HA 0.203 4.543 4.340 0.001 0.000 0.200 490 R C 1.080 177.297 176.300 -0.140 0.000 0.893 490 R CA 0.235 56.255 56.100 -0.135 0.000 1.042 490 R CB 0.676 30.922 30.300 -0.090 0.000 1.059 490 R HN 0.167 nan 8.270 nan 0.000 0.530 491 E N 0.252 120.358 120.200 -0.158 0.000 2.601 491 E HA 0.081 4.432 4.350 0.001 0.000 0.219 491 E C -0.437 176.066 176.600 -0.161 0.000 0.964 491 E CA -0.170 56.157 56.400 -0.121 0.000 1.050 491 E CB 0.872 30.535 29.700 -0.063 0.000 1.068 491 E HN -0.078 nan 8.360 nan 0.000 0.496 492 K N 1.315 121.506 120.400 -0.348 0.000 3.071 492 K HA -0.215 4.106 4.320 0.001 0.000 0.265 492 K C -0.356 176.135 176.600 -0.180 0.000 1.060 492 K CA 1.202 57.178 56.287 -0.519 0.000 0.767 492 K CB -2.340 29.964 32.500 -0.326 0.000 1.241 492 K HN 0.468 nan 8.250 nan 0.000 0.486 493 K N -1.174 119.227 120.400 0.002 0.000 2.533 493 K HA 0.679 5.000 4.320 0.001 0.000 0.272 493 K C -0.883 175.845 176.600 0.213 0.000 0.985 493 K CA -1.239 55.139 56.287 0.151 0.000 0.876 493 K CB 1.558 34.130 32.500 0.119 0.000 1.452 493 K HN -0.086 nan 8.250 nan 0.000 0.439 494 L N 1.011 122.378 121.223 0.241 0.000 2.333 494 L HA 0.659 4.999 4.340 0.001 0.000 0.269 494 L C -0.320 176.668 176.870 0.197 0.000 1.010 494 L CA -0.691 54.297 54.840 0.248 0.000 0.818 494 L CB 1.955 44.157 42.059 0.239 0.000 1.306 494 L HN 0.687 nan 8.230 nan 0.000 0.430 495 V N -1.658 118.307 119.914 0.085 0.000 3.156 495 V HA 0.527 4.648 4.120 0.001 0.000 0.311 495 V C 0.786 176.719 176.094 -0.269 0.000 1.208 495 V CA -0.481 61.734 62.300 -0.142 0.000 1.063 495 V CB 1.647 33.240 31.823 -0.383 0.000 1.098 495 V HN 0.870 nan 8.190 nan 0.000 0.452 496 E N 0.780 120.575 120.200 -0.675 0.000 2.150 496 E HA -0.031 4.319 4.350 0.001 0.000 0.193 496 E C 0.561 176.858 176.600 -0.504 0.000 0.985 496 E CA 1.233 57.083 56.400 -0.917 0.000 0.814 496 E CB 0.058 29.041 29.700 -1.195 0.000 0.752 496 E HN 0.750 nan 8.360 nan 0.000 0.466 497 K N -0.651 119.261 120.400 -0.814 0.000 2.607 497 K HA 0.219 4.539 4.320 0.001 0.000 0.287 497 K C -2.103 173.970 176.600 -0.879 0.000 0.996 497 K CA -0.744 54.962 56.287 -0.969 0.000 0.876 497 K CB 0.898 32.132 32.500 -2.109 0.000 1.496 497 K HN 0.043 nan 8.250 nan 0.000 0.415 498 Y N -0.136 119.900 120.300 -0.439 0.000 2.536 498 Y HA 0.257 4.808 4.550 0.000 0.000 0.347 498 Y C -0.277 175.480 175.900 -0.238 0.000 1.000 498 Y CA -0.808 57.135 58.100 -0.261 0.000 1.051 498 Y CB 1.942 40.300 38.460 -0.170 0.000 1.259 498 Y HN 0.598 nan 8.280 nan 0.000 0.468 499 D N 1.954 122.330 120.400 -0.040 0.000 2.344 499 D HA 0.077 4.717 4.640 0.001 0.000 0.253 499 D C 0.966 177.273 176.300 0.011 0.000 1.255 499 D CA 0.224 54.197 54.000 -0.045 0.000 0.894 499 D CB 1.511 42.280 40.800 -0.052 0.000 1.067 499 D HN 0.545 nan 8.370 nan 0.000 0.492 500 V N 1.880 121.800 119.914 0.011 0.000 2.970 500 V HA -0.077 4.043 4.120 0.001 0.000 0.260 500 V C 1.793 177.904 176.094 0.028 0.000 1.100 500 V CA 0.999 63.324 62.300 0.041 0.000 1.122 500 V CB -0.155 31.701 31.823 0.054 0.000 0.721 500 V HN 0.306 nan 8.190 nan 0.000 0.483 501 S N 1.588 117.295 115.700 0.011 0.000 2.377 501 S HA -0.079 4.391 4.470 0.001 0.000 0.223 501 S C 1.992 176.595 174.600 0.005 0.000 1.030 501 S CA 1.783 59.989 58.200 0.010 0.000 0.970 501 S CB -0.244 62.959 63.200 0.005 0.000 0.830 501 S HN 0.924 nan 8.310 nan 0.000 0.473 502 T N -0.377 114.178 114.554 0.001 0.000 3.022 502 T HA 0.241 4.592 4.350 0.001 0.000 0.250 502 T C 0.725 175.430 174.700 0.009 0.000 1.060 502 T CA 0.705 62.805 62.100 -0.000 0.000 1.013 502 T CB -0.442 68.422 68.868 -0.007 0.000 0.982 502 T HN 0.568 nan 8.240 nan 0.000 0.508 503 T N -1.236 113.326 114.554 0.013 0.000 0.541 503 T HA 0.224 4.575 4.350 0.001 0.000 0.774 503 T C 0.854 175.575 174.700 0.035 0.000 0.992 503 T CA 0.054 62.170 62.100 0.028 0.000 4.077 503 T CB -1.685 67.211 68.868 0.046 0.000 2.303 503 T HN 2.399 nan 8.240 nan 0.000 0.398 504 G N 0.260 109.098 108.800 0.064 0.000 2.660 504 G HA2 0.468 4.428 3.960 0.001 0.000 0.215 504 G HA3 0.468 4.428 3.960 0.001 0.000 0.215 504 G C 0.110 175.011 174.900 0.002 0.000 1.345 504 G CA 0.688 45.813 45.100 0.042 0.000 0.877 504 G HN 3.041 nan 8.290 nan 0.000 0.549 505 T N -2.870 111.639 114.554 -0.074 0.000 2.841 505 T HA 0.969 5.320 4.350 0.001 0.000 0.296 505 T C 0.883 175.489 174.700 -0.156 0.000 1.166 505 T CA 0.745 62.736 62.100 -0.182 0.000 1.007 505 T CB 1.541 70.245 68.868 -0.274 0.000 1.253 505 T HN 3.097 nan 8.240 nan 0.000 0.511 510 G N -1.415 107.391 108.800 0.010 0.000 2.617 510 G HA2 0.240 4.201 3.960 0.001 0.000 0.686 510 G HA3 0.240 4.201 3.960 0.001 0.000 0.686 510 G C -0.151 174.714 174.900 -0.059 0.000 1.214 510 G CA 0.418 45.476 45.100 -0.070 0.000 0.796 510 G HN 0.663 nan 8.290 nan 0.000 0.654 511 E N -0.344 119.864 120.200 0.012 0.000 2.476 511 E HA 0.184 4.535 4.350 0.001 0.000 0.196 511 E C 0.143 176.852 176.600 0.181 0.000 1.029 511 E CA 0.528 57.003 56.400 0.126 0.000 0.896 511 E CB 0.409 30.251 29.700 0.236 0.000 1.012 511 E HN 0.621 nan 8.360 nan 0.000 0.475 512 Y N -1.481 118.896 120.300 0.130 0.000 2.553 512 Y HA 0.660 5.211 4.550 0.001 0.000 0.347 512 Y C -2.873 173.072 175.900 0.074 0.000 1.019 512 Y CA -3.325 54.833 58.100 0.096 0.000 1.032 512 Y CB -0.030 38.489 38.460 0.100 0.000 1.284 512 Y HN -0.262 nan 8.280 nan 0.000 0.466 513 P HA 0.133 nan 4.420 nan 0.000 0.272 513 P C -0.744 176.619 177.300 0.105 0.000 1.230 513 P CA -0.505 62.642 63.100 0.078 0.000 0.788 513 P CB 0.666 32.419 31.700 0.088 0.000 0.949 514 L N 2.265 123.485 121.223 -0.005 0.000 2.601 514 L HA -0.027 4.313 4.340 0.001 0.000 0.277 514 L C 0.049 176.948 176.870 0.049 0.000 1.219 514 L CA 1.044 55.867 54.840 -0.028 0.000 0.915 514 L CB -0.339 41.646 42.059 -0.122 0.000 1.160 514 L HN 0.249 nan 8.230 nan 0.000 0.494 515 Q N 3.651 123.503 119.800 0.086 0.000 2.226 515 Q HA 0.433 4.774 4.340 0.001 0.000 0.256 515 Q C -1.081 174.988 176.000 0.115 0.000 0.962 515 Q CA -0.704 55.194 55.803 0.158 0.000 0.887 515 Q CB 1.855 30.805 28.738 0.352 0.000 1.282 515 Q HN 0.600 nan 8.270 nan 0.000 0.449 516 D N -0.743 119.798 120.400 0.234 0.000 2.299 516 D HA 0.724 5.364 4.640 0.001 0.000 0.243 516 D C 0.505 177.042 176.300 0.394 0.000 0.982 516 D CA -0.247 53.905 54.000 0.254 0.000 0.924 516 D CB 1.996 42.896 40.800 0.167 0.000 1.238 516 D HN 0.686 nan 8.370 nan 0.000 0.484 517 G N -0.327 108.675 108.800 0.337 0.000 3.118 517 G HA2 0.019 3.980 3.960 0.001 0.000 0.105 517 G HA3 0.019 3.980 3.960 0.001 0.000 0.105 517 G C -1.299 173.691 174.900 0.150 0.000 1.918 517 G CA -0.446 44.755 45.100 0.168 0.000 1.038 517 G HN 0.370 nan 8.290 nan 0.000 0.293 518 F N 2.015 121.989 119.950 0.040 0.000 2.557 518 F HA 0.586 5.113 4.527 0.001 0.000 0.316 518 F C 1.211 177.062 175.800 0.085 0.000 1.141 518 F CA 0.311 58.350 58.000 0.065 0.000 0.922 518 F CB 1.827 40.897 39.000 0.117 0.000 1.194 518 F HN 0.595 nan 8.300 nan 0.000 0.443 519 G N 4.854 113.400 108.800 -0.423 0.000 2.719 519 G HA2 -0.381 3.579 3.960 0.001 0.000 0.219 519 G HA3 -0.381 3.579 3.960 0.001 0.000 0.219 519 G C 1.076 176.093 174.900 0.196 0.000 1.234 519 G CA 1.664 46.698 45.100 -0.110 0.000 0.788 519 G HN 0.895 nan 8.290 nan 0.000 0.619 520 W N 0.920 122.284 121.300 0.107 0.000 2.425 520 W HA 0.185 4.845 4.660 0.001 0.000 0.277 520 W C 2.027 178.630 176.519 0.141 0.000 1.231 520 W CA 1.303 58.724 57.345 0.126 0.000 1.248 520 W CB -1.445 28.016 29.460 0.002 0.000 1.117 520 W HN 0.116 nan 8.180 nan 0.000 0.568 521 T N 1.871 116.856 114.554 0.720 0.000 2.777 521 T HA -0.210 4.141 4.350 0.001 0.000 0.266 521 T C 1.556 176.420 174.700 0.272 0.000 1.040 521 T CA 1.967 64.360 62.100 0.488 0.000 1.141 521 T CB -0.414 68.798 68.868 0.573 0.000 0.868 521 T HN 0.094 nan 8.240 nan 0.000 0.444 522 N N 1.196 120.023 118.700 0.212 0.000 2.084 522 N HA -0.030 4.710 4.740 0.001 0.000 0.190 522 N C 2.145 177.720 175.510 0.110 0.000 1.030 522 N CA 1.390 54.468 53.050 0.048 0.000 0.849 522 N CB -0.986 37.396 38.487 -0.176 0.000 1.012 522 N HN 0.466 nan 8.380 nan 0.000 0.423 523 G N 0.566 109.507 108.800 0.235 0.000 2.421 523 G HA2 -0.183 3.777 3.960 0.001 0.000 0.216 523 G HA3 -0.183 3.777 3.960 0.001 0.000 0.216 523 G C 1.630 176.499 174.900 -0.052 0.000 1.171 523 G CA 0.842 46.037 45.100 0.158 0.000 0.775 523 G HN 0.210 nan 8.290 nan 0.000 0.543 524 V N 0.886 120.778 119.914 -0.036 0.000 2.427 524 V HA -0.158 3.962 4.120 0.001 0.000 0.248 524 V C 3.140 179.171 176.094 -0.106 0.000 1.051 524 V CA 2.250 64.444 62.300 -0.177 0.000 1.048 524 V CB -0.738 31.047 31.823 -0.064 0.000 0.666 524 V HN 0.378 nan 8.190 nan 0.000 0.456 525 T N 0.337 114.891 114.554 -0.000 0.000 2.746 525 T HA -0.139 4.211 4.350 0.001 0.000 0.267 525 T C 1.889 176.541 174.700 -0.080 0.000 1.039 525 T CA 1.265 63.349 62.100 -0.027 0.000 1.142 525 T CB -0.279 68.556 68.868 -0.054 0.000 0.866 525 T HN 0.141 nan 8.240 nan 0.000 0.444 526 L N 1.290 122.468 121.223 -0.076 0.000 2.012 526 L HA -0.051 4.289 4.340 0.001 0.000 0.210 526 L C 2.412 179.213 176.870 -0.116 0.000 1.073 526 L CA 1.730 56.526 54.840 -0.073 0.000 0.748 526 L CB -0.855 41.194 42.059 -0.016 0.000 0.891 526 L HN 0.100 nan 8.230 nan 0.000 0.431 527 K N -0.957 119.304 120.400 -0.231 0.000 2.057 527 K HA -0.112 4.209 4.320 0.001 0.000 0.207 527 K C 2.094 178.627 176.600 -0.112 0.000 1.049 527 K CA 1.428 57.521 56.287 -0.324 0.000 0.931 527 K CB -0.408 31.499 32.500 -0.988 0.000 0.714 527 K HN 0.358 nan 8.250 nan 0.000 0.440 528 M N 0.038 119.596 119.600 -0.069 0.000 2.200 528 M HA -0.115 4.365 4.480 0.001 0.000 0.265 528 M C 2.120 178.389 176.300 -0.052 0.000 1.066 528 M CA 0.795 56.141 55.300 0.077 0.000 1.127 528 M CB -0.265 32.395 32.600 0.101 0.000 1.379 528 M HN -0.013 nan 8.290 nan 0.000 0.420 529 L N 1.054 122.219 121.223 -0.097 0.000 2.042 529 L HA -0.225 4.116 4.340 0.001 0.000 0.210 529 L C 1.635 178.454 176.870 -0.085 0.000 1.076 529 L CA 2.036 56.796 54.840 -0.133 0.000 0.749 529 L CB -0.794 41.194 42.059 -0.118 0.000 0.893 529 L HN 0.208 nan 8.230 nan 0.000 0.432 530 D N -0.773 119.606 120.400 -0.035 0.000 2.144 530 D HA -0.196 4.444 4.640 0.001 0.000 0.199 530 D C 2.362 178.682 176.300 0.033 0.000 0.984 530 D CA 1.131 55.135 54.000 0.006 0.000 0.834 530 D CB -0.178 40.637 40.800 0.026 0.000 0.955 530 D HN 0.336 nan 8.370 nan 0.000 0.465 531 L N 0.751 122.008 121.223 0.056 0.000 2.093 531 L HA -0.078 4.263 4.340 0.001 0.000 0.208 531 L C 2.201 179.097 176.870 0.043 0.000 1.085 531 L CA 0.929 55.822 54.840 0.089 0.000 0.755 531 L CB -0.126 42.026 42.059 0.155 0.000 0.904 531 L HN 0.094 nan 8.230 nan 0.000 0.435 532 I N -4.300 116.231 120.570 -0.064 0.000 3.603 532 I HA 0.052 4.222 4.170 0.001 0.000 0.297 532 I C 0.653 176.782 176.117 0.019 0.000 1.269 532 I CA -0.217 61.012 61.300 -0.119 0.000 1.361 532 I CB -0.167 37.391 38.000 -0.738 0.000 1.063 532 I HN 0.026 nan 8.210 nan 0.000 0.448 533 c N 1.145 119.749 118.600 0.008 0.000 2.562 533 c HA 0.593 5.163 4.570 0.001 0.000 0.332 533 c C -2.279 171.852 174.090 0.068 0.000 1.201 533 c CA -1.136 55.229 56.329 0.060 0.000 1.803 533 c CB 1.304 43.829 42.510 0.025 0.000 2.328 533 c HN 0.146 nan 8.230 nan 0.000 0.500 534 P HA 0.078 nan 4.420 nan 0.000 0.266 534 P C 0.542 177.874 177.300 0.054 0.000 1.195 534 P CA 0.158 63.298 63.100 0.067 0.000 0.768 534 P CB 0.522 32.259 31.700 0.063 0.000 0.838 535 K N 2.753 123.185 120.400 0.054 0.000 2.113 535 K HA -0.251 4.070 4.320 0.001 0.000 0.208 535 K C 1.889 178.515 176.600 0.043 0.000 1.047 535 K CA 2.210 58.527 56.287 0.050 0.000 0.928 535 K CB -0.183 32.349 32.500 0.052 0.000 0.716 535 K HN 0.492 nan 8.250 nan 0.000 0.446 536 E N -0.306 119.920 120.200 0.042 0.000 2.318 536 E HA -0.027 4.323 4.350 0.001 0.000 0.193 536 E C 0.447 177.068 176.600 0.036 0.000 0.998 536 E CA 0.453 56.875 56.400 0.037 0.000 0.859 536 E CB 0.259 29.980 29.700 0.035 0.000 0.812 536 E HN 0.344 nan 8.360 nan 0.000 0.492 537 Q N 1.133 120.957 119.800 0.039 0.000 2.965 537 Q HA 0.297 4.638 4.340 0.001 0.000 0.288 537 Q C -2.645 173.377 176.000 0.038 0.000 0.974 537 Q CA -1.395 54.431 55.803 0.038 0.000 0.849 537 Q CB 0.801 29.565 28.738 0.043 0.000 1.280 537 Q HN 0.589 nan 8.270 nan 0.000 0.441 538 P HA 0.300 nan 4.420 nan 0.000 0.272 538 P C -0.312 176.998 177.300 0.017 0.000 1.230 538 P CA -0.263 62.850 63.100 0.022 0.000 0.788 538 P CB 0.865 32.576 31.700 0.018 0.000 0.949 539 c N 1.047 119.648 118.600 0.002 0.000 2.391 539 c HA 0.311 4.882 4.570 0.001 0.000 0.339 539 c C 1.444 175.523 174.090 -0.019 0.000 1.205 539 c CA -0.159 56.167 56.329 -0.004 0.000 1.937 539 c CB 0.602 43.101 42.510 -0.018 0.000 2.341 539 c HN 0.574 nan 8.230 nan 0.000 0.516 540 D N 0.420 120.813 120.400 -0.012 0.000 2.423 540 D HA 0.116 4.756 4.640 0.001 0.000 0.208 540 D C 0.119 176.397 176.300 -0.037 0.000 1.068 540 D CA 0.816 54.803 54.000 -0.021 0.000 0.860 540 D CB 0.222 41.020 40.800 -0.002 0.000 0.992 540 D HN 0.522 nan 8.370 nan 0.000 0.504 541 N N -0.162 118.524 118.700 -0.023 0.000 2.262 541 N HA 0.241 4.981 4.740 0.001 0.000 0.295 541 N C -0.754 174.736 175.510 -0.033 0.000 1.161 541 N CA -0.538 52.499 53.050 -0.022 0.000 0.767 541 N CB 3.011 41.515 38.487 0.028 0.000 1.499 541 N HN -0.294 nan 8.380 nan 0.000 0.476 542 V N 2.627 122.508 119.914 -0.055 0.000 2.529 542 V HA 0.136 4.257 4.120 0.001 0.000 0.292 542 V C -1.821 174.300 176.094 0.045 0.000 1.028 542 V CA -0.856 61.395 62.300 -0.080 0.000 1.074 542 V CB 0.055 31.803 31.823 -0.125 0.000 0.958 542 V HN 0.523 nan 8.190 nan 0.000 0.481 543 P HA 0.141 nan 4.420 nan 0.000 0.268 543 P C 0.440 177.904 177.300 0.274 0.000 1.205 543 P CA -0.024 63.212 63.100 0.226 0.000 0.771 543 P CB 0.780 32.692 31.700 0.352 0.000 0.858 544 A N 2.134 125.063 122.820 0.180 0.000 2.119 544 A HA 0.062 4.383 4.320 0.001 0.000 0.216 544 A C 0.675 178.331 177.584 0.120 0.000 1.152 544 A CA 1.253 53.385 52.037 0.157 0.000 0.708 544 A CB -0.411 18.656 19.000 0.112 0.000 0.805 544 A HN 0.539 nan 8.150 nan 0.000 0.460 545 T N 0.703 115.319 114.554 0.103 0.000 2.848 545 T HA 0.415 4.766 4.350 0.001 0.000 0.285 545 T C 0.102 174.764 174.700 -0.063 0.000 0.995 545 T CA -0.696 61.410 62.100 0.010 0.000 0.970 545 T CB 1.636 70.508 68.868 0.007 0.000 0.976 545 T HN 0.307 nan 8.240 nan 0.000 0.441 546 R N 0.000 120.322 120.500 -0.296 0.000 2.786 546 R HA 0.000 4.340 4.340 0.001 0.000 0.208 546 R CA 0.000 55.774 56.100 -0.544 0.000 0.921 546 R CB 0.000 29.824 30.300 -0.793 0.000 0.687 546 R HN 0.000 nan 8.270 nan 0.000 0.535