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 2zc7_1_A DATA FIRST_RESID 2 DATA SEQUENCE PMSEKQLAEV VERTVTPLMK AQAIPGMAVA VIYEGQPHYF TFGKADVAAN DATA SEQUENCE KPVTPQTLFE LGSISKTFTG VLGGDAIARG EISLGDPVTK YWPELTGKQW DATA SEQUENCE QGIRMLDLAT YTAGGLPLQV PDEVKDNASL LRFYQNWQPQ WKPGTTRLYA DATA SEQUENCE NASIGLFGAL AVKPSGMSYE QAITTRVFKP LKLDHTWINV PKAEEAHYAW DATA SEQUENCE GYRDGKAVHV SPGMLDAEAY GVKTNVQDMA SWVMVNMKPD SLQDNSLRKG DATA SEQUENCE LTLAQSRYWR VGAMYQGLGW EMLNWPVDAK TVVEGSDNKV ALAPLPAREV DATA SEQUENCE NPPAPPVNAS WVHKTGSTGG FGSYVAFIPE KQLGIVMLAN KSYPNPARVE DATA SEQUENCE AAYRILSAL 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.179 177.300 -0.202 0.000 1.155 2 P CA 0.000 63.007 63.100 -0.155 0.000 0.800 2 P CB 0.000 31.568 31.700 -0.220 0.000 0.726 3 M N -0.603 118.993 119.600 -0.007 0.000 2.124 3 M HA -0.174 4.259 4.480 -0.079 0.000 0.253 3 M C 1.141 177.429 176.300 -0.019 0.000 1.077 3 M CA 1.762 57.108 55.300 0.078 0.000 1.085 3 M CB -0.138 32.533 32.600 0.119 0.000 1.320 3 M HN 0.379 nan 8.290 nan 0.000 0.404 4 S N 0.231 115.903 115.700 -0.047 0.000 2.568 4 S HA -0.078 4.345 4.470 -0.079 0.000 0.282 4 S C 1.129 175.668 174.600 -0.102 0.000 1.338 4 S CA -0.388 57.784 58.200 -0.047 0.000 1.045 4 S CB 0.785 63.969 63.200 -0.026 0.000 0.873 4 S HN 0.378 nan 8.310 nan 0.000 0.516 5 E N 2.669 122.831 120.200 -0.063 0.000 2.106 5 E HA -0.123 4.180 4.350 -0.079 0.000 0.192 5 E C 1.181 177.784 176.600 0.004 0.000 0.984 5 E CA 1.197 57.556 56.400 -0.069 0.000 0.806 5 E CB -0.044 29.657 29.700 0.002 0.000 0.750 5 E HN 0.502 nan 8.360 nan 0.000 0.458 6 K N 0.851 121.255 120.400 0.008 0.000 2.097 6 K HA -0.081 4.191 4.320 -0.079 0.000 0.205 6 K C 2.247 178.839 176.600 -0.014 0.000 1.050 6 K CA 1.090 57.390 56.287 0.021 0.000 0.938 6 K CB -0.433 32.076 32.500 0.016 0.000 0.718 6 K HN 0.289 nan 8.250 nan 0.000 0.442 7 Q N -0.072 119.698 119.800 -0.049 0.000 2.084 7 Q HA -0.120 4.172 4.340 -0.079 0.000 0.202 7 Q C 1.938 177.862 176.000 -0.128 0.000 0.978 7 Q CA 0.902 56.658 55.803 -0.079 0.000 0.844 7 Q CB -0.231 28.455 28.738 -0.086 0.000 0.898 7 Q HN 0.070 nan 8.270 nan 0.000 0.426 8 L N 0.893 122.016 121.223 -0.166 0.000 1.989 8 L HA -0.166 4.126 4.340 -0.079 0.000 0.211 8 L C 2.299 179.020 176.870 -0.250 0.000 1.071 8 L CA 2.173 56.888 54.840 -0.209 0.000 0.749 8 L CB -1.155 40.789 42.059 -0.191 0.000 0.890 8 L HN 0.168 nan 8.230 nan 0.000 0.431 9 A N -0.955 121.827 122.820 -0.062 0.000 1.940 9 A HA -0.295 3.978 4.320 -0.079 0.000 0.219 9 A C 2.295 179.761 177.584 -0.196 0.000 1.176 9 A CA 1.929 53.881 52.037 -0.142 0.000 0.631 9 A CB -0.691 18.449 19.000 0.233 0.000 0.814 9 A HN 0.639 nan 8.150 nan 0.000 0.446 10 E N -0.146 119.989 120.200 -0.108 0.000 2.047 10 E HA -0.135 4.167 4.350 -0.079 0.000 0.191 10 E C 1.761 178.294 176.600 -0.112 0.000 0.987 10 E CA 1.521 57.875 56.400 -0.077 0.000 0.799 10 E CB -0.251 29.421 29.700 -0.047 0.000 0.752 10 E HN 0.262 nan 8.360 nan 0.000 0.449 11 V N 0.795 120.621 119.914 -0.147 0.000 2.392 11 V HA -0.250 3.823 4.120 -0.079 0.000 0.249 11 V C 2.360 178.354 176.094 -0.166 0.000 1.059 11 V CA 1.496 63.714 62.300 -0.137 0.000 1.051 11 V CB -0.180 31.557 31.823 -0.143 0.000 0.658 11 V HN 0.247 nan 8.190 nan 0.000 0.455 12 V N -0.594 119.144 119.914 -0.293 0.000 2.273 12 V HA -0.185 3.888 4.120 -0.079 0.000 0.242 12 V C 2.340 178.329 176.094 -0.175 0.000 1.035 12 V CA 1.857 63.977 62.300 -0.300 0.000 1.013 12 V CB -0.525 30.866 31.823 -0.719 0.000 0.652 12 V HN 0.530 nan 8.190 nan 0.000 0.452 13 E N 0.534 120.679 120.200 -0.091 0.000 2.070 13 E HA -0.283 4.020 4.350 -0.079 0.000 0.197 13 E C 2.301 178.854 176.600 -0.078 0.000 1.004 13 E CA 1.807 58.204 56.400 -0.004 0.000 0.805 13 E CB -0.279 29.495 29.700 0.124 0.000 0.744 13 E HN 0.623 nan 8.360 nan 0.000 0.451 14 R N 0.059 120.522 120.500 -0.062 0.000 2.241 14 R HA -0.064 4.228 4.340 -0.079 0.000 0.224 14 R C 1.602 177.863 176.300 -0.065 0.000 1.101 14 R CA 1.589 57.659 56.100 -0.051 0.000 0.995 14 R CB -0.244 30.033 30.300 -0.037 0.000 0.870 14 R HN 0.011 nan 8.270 nan 0.000 0.463 15 T N 0.289 114.789 114.554 -0.089 0.000 3.004 15 T HA 0.107 4.409 4.350 -0.079 0.000 0.243 15 T C 1.901 176.522 174.700 -0.132 0.000 1.020 15 T CA 0.557 62.610 62.100 -0.078 0.000 1.145 15 T CB 0.149 68.995 68.868 -0.037 0.000 0.876 15 T HN -0.001 nan 8.240 nan 0.000 0.449 16 V N 2.042 121.815 119.914 -0.235 0.000 2.295 16 V HA -0.188 3.884 4.120 -0.079 0.000 0.246 16 V C 2.780 178.634 176.094 -0.400 0.000 1.049 16 V CA 2.110 64.173 62.300 -0.395 0.000 1.024 16 V CB -1.098 30.250 31.823 -0.792 0.000 0.648 16 V HN 0.519 nan 8.190 nan 0.000 0.447 17 T N 0.707 115.047 114.554 -0.357 0.000 2.622 17 T HA -0.114 4.189 4.350 -0.079 0.000 0.266 17 T C -0.059 174.560 174.700 -0.136 0.000 1.047 17 T CA 2.069 64.046 62.100 -0.206 0.000 1.159 17 T CB -1.425 67.390 68.868 -0.087 0.000 0.863 17 T HN 0.452 nan 8.240 nan 0.000 0.422 18 P HA 0.011 nan 4.420 nan 0.000 0.220 18 P C 1.587 178.832 177.300 -0.091 0.000 1.148 18 P CA 0.544 63.599 63.100 -0.076 0.000 0.803 18 P CB -0.173 31.494 31.700 -0.055 0.000 0.782 19 L N -1.075 120.074 121.223 -0.124 0.000 2.027 19 L HA -0.056 4.237 4.340 -0.079 0.000 0.206 19 L C 2.425 179.170 176.870 -0.208 0.000 1.074 19 L CA 1.886 56.639 54.840 -0.146 0.000 0.745 19 L CB -1.148 40.819 42.059 -0.153 0.000 0.898 19 L HN -0.162 nan 8.230 nan 0.000 0.433 20 M N -0.876 118.596 119.600 -0.213 0.000 2.117 20 M HA -0.213 4.220 4.480 -0.079 0.000 0.262 20 M C 2.147 178.366 176.300 -0.135 0.000 1.065 20 M CA 1.710 56.894 55.300 -0.194 0.000 1.114 20 M CB -0.434 32.078 32.600 -0.146 0.000 1.361 20 M HN 0.196 nan 8.290 nan 0.000 0.408 21 K N 0.509 120.847 120.400 -0.102 0.000 2.001 21 K HA -0.025 4.247 4.320 -0.079 0.000 0.208 21 K C 2.150 178.709 176.600 -0.067 0.000 1.048 21 K CA 1.505 57.749 56.287 -0.071 0.000 0.932 21 K CB -0.382 32.087 32.500 -0.052 0.000 0.715 21 K HN 0.269 nan 8.250 nan 0.000 0.437 22 A N 1.425 124.203 122.820 -0.069 0.000 2.019 22 A HA -0.142 4.131 4.320 -0.079 0.000 0.219 22 A C 1.806 179.359 177.584 -0.052 0.000 1.164 22 A CA 1.294 53.301 52.037 -0.050 0.000 0.644 22 A CB -0.077 18.900 19.000 -0.038 0.000 0.805 22 A HN 0.219 nan 8.150 nan 0.000 0.449 23 Q N -2.011 117.731 119.800 -0.097 0.000 2.247 23 Q HA 0.415 4.707 4.340 -0.079 0.000 0.211 23 Q C 0.647 176.600 176.000 -0.079 0.000 0.861 23 Q CA 0.628 56.377 55.803 -0.090 0.000 0.949 23 Q CB 0.182 28.792 28.738 -0.214 0.000 1.115 23 Q HN 0.984 nan 8.270 nan 0.000 0.507 24 A N 1.299 124.069 122.820 -0.084 0.000 2.791 24 A HA -0.171 4.102 4.320 -0.079 0.000 0.292 24 A C 0.071 177.605 177.584 -0.083 0.000 1.487 24 A CA 0.276 52.270 52.037 -0.071 0.000 0.760 24 A CB -2.010 16.965 19.000 -0.041 0.000 1.031 24 A HN 0.251 nan 8.150 nan 0.000 0.503 25 I N -0.448 120.049 120.570 -0.122 0.000 2.396 25 I HA 0.191 4.313 4.170 -0.079 0.000 0.289 25 I C -0.923 175.153 176.117 -0.069 0.000 1.056 25 I CA -1.980 59.256 61.300 -0.106 0.000 1.365 25 I CB 0.464 38.345 38.000 -0.199 0.000 1.407 25 I HN 0.012 nan 8.210 nan 0.000 0.509 26 P HA 0.020 nan 4.420 nan 0.000 0.217 26 P C 0.512 177.839 177.300 0.045 0.000 1.151 26 P CA 0.652 63.701 63.100 -0.084 0.000 0.828 26 P CB 0.463 32.001 31.700 -0.270 0.000 0.788 27 G N -1.445 107.441 108.800 0.144 0.000 2.690 27 G HA2 0.692 4.604 3.960 -0.079 0.000 0.293 27 G HA3 0.692 4.604 3.960 -0.079 0.000 0.293 27 G C -1.971 173.128 174.900 0.331 0.000 1.399 27 G CA -0.428 44.832 45.100 0.267 0.000 0.890 27 G HN 0.042 nan 8.290 nan 0.000 0.485 28 M N 0.823 120.646 119.600 0.371 0.000 2.365 28 M HA 0.691 5.124 4.480 -0.079 0.000 0.288 28 M C -1.560 174.933 176.300 0.321 0.000 1.152 28 M CA -0.613 54.842 55.300 0.258 0.000 0.948 28 M CB 2.090 34.794 32.600 0.173 0.000 1.729 28 M HN 1.051 nan 8.290 nan 0.000 0.487 29 A N 3.798 126.659 122.820 0.068 0.000 2.331 29 A HA 0.852 5.125 4.320 -0.079 0.000 0.320 29 A C -1.513 176.177 177.584 0.177 0.000 1.138 29 A CA -0.609 51.532 52.037 0.173 0.000 0.790 29 A CB 1.479 20.574 19.000 0.159 0.000 1.206 29 A HN 0.645 nan 8.150 nan 0.000 0.470 30 V N 1.007 121.122 119.914 0.335 0.000 2.735 30 V HA 0.793 4.866 4.120 -0.079 0.000 0.310 30 V C 0.114 176.478 176.094 0.450 0.000 1.061 30 V CA -0.297 62.238 62.300 0.391 0.000 0.913 30 V CB 1.842 33.974 31.823 0.515 0.000 1.005 30 V HN 1.323 nan 8.190 nan 0.000 0.428 31 A N 3.862 126.918 122.820 0.393 0.000 2.335 31 A HA 0.847 5.120 4.320 -0.079 0.000 0.304 31 A C -1.083 176.707 177.584 0.343 0.000 1.118 31 A CA -0.514 51.766 52.037 0.405 0.000 0.757 31 A CB 1.599 20.830 19.000 0.384 0.000 1.188 31 A HN 0.649 nan 8.150 nan 0.000 0.460 32 V N 3.700 123.843 119.914 0.381 0.000 2.417 32 V HA 0.355 4.427 4.120 -0.079 0.000 0.291 32 V C -0.627 175.639 176.094 0.287 0.000 1.024 32 V CA -0.247 62.254 62.300 0.335 0.000 0.861 32 V CB 1.383 33.447 31.823 0.401 0.000 0.985 32 V HN 0.739 nan 8.190 nan 0.000 0.436 33 I N 5.978 126.664 120.570 0.192 0.000 2.291 33 I HA 0.315 4.438 4.170 -0.079 0.000 0.290 33 I C -0.742 175.496 176.117 0.202 0.000 1.050 33 I CA -0.078 61.303 61.300 0.135 0.000 1.245 33 I CB 0.538 38.544 38.000 0.010 0.000 1.405 33 I HN 0.578 nan 8.210 nan 0.000 0.478 34 Y N 5.962 126.342 120.300 0.133 0.000 2.326 34 Y HA 0.344 4.845 4.550 -0.081 0.000 0.331 34 Y C 0.305 176.256 175.900 0.084 0.000 0.962 34 Y CA -0.931 57.230 58.100 0.101 0.000 1.167 34 Y CB 0.832 39.356 38.460 0.107 0.000 1.148 34 Y HN 0.690 nan 8.280 nan 0.000 0.463 35 E N 3.919 123.898 120.200 -0.368 0.000 2.389 35 E HA -0.249 4.053 4.350 -0.079 0.000 0.243 35 E C 0.936 177.461 176.600 -0.124 0.000 1.154 35 E CA 0.900 57.131 56.400 -0.281 0.000 0.723 35 E CB -1.638 27.887 29.700 -0.292 0.000 1.261 35 E HN 1.295 nan 8.360 nan 0.000 0.390 36 G N 0.586 109.328 108.800 -0.096 0.000 2.168 36 G HA2 -0.370 3.543 3.960 -0.079 0.000 0.257 36 G HA3 -0.370 3.543 3.960 -0.079 0.000 0.257 36 G C 0.100 174.954 174.900 -0.077 0.000 0.997 36 G CA 1.128 46.177 45.100 -0.085 0.000 0.708 36 G HN 0.600 nan 8.290 nan 0.000 0.520 37 Q N -0.457 119.310 119.800 -0.055 0.000 2.375 37 Q HA 0.740 5.033 4.340 -0.079 0.000 0.271 37 Q C -3.122 172.726 176.000 -0.254 0.000 1.074 37 Q CA -2.604 53.108 55.803 -0.153 0.000 0.808 37 Q CB 3.334 31.969 28.738 -0.172 0.000 1.327 37 Q HN 0.200 nan 8.270 nan 0.000 0.441 38 P HA 0.224 nan 4.420 nan 0.000 0.278 38 P C -1.364 175.415 177.300 -0.869 0.000 1.238 38 P CA -0.127 62.716 63.100 -0.428 0.000 0.794 38 P CB 0.692 32.194 31.700 -0.330 0.000 0.955 39 H N 0.620 119.391 119.070 -0.499 0.000 2.759 39 H HA 0.455 4.962 4.556 -0.080 0.000 0.354 39 H C -0.724 174.125 175.328 -0.799 0.000 1.074 39 H CA -0.254 55.394 56.048 -0.667 0.000 1.226 39 H CB 0.935 30.469 29.762 -0.381 0.000 1.648 39 H HN 0.287 nan 8.280 nan 0.000 0.529 40 Y N 2.155 122.161 120.300 -0.490 0.000 2.360 40 Y HA 0.503 5.005 4.550 -0.081 0.000 0.337 40 Y C -0.803 174.672 175.900 -0.709 0.000 1.039 40 Y CA -1.354 56.480 58.100 -0.444 0.000 1.109 40 Y CB 0.746 39.094 38.460 -0.187 0.000 1.201 40 Y HN 0.437 nan 8.280 nan 0.000 0.458 41 F N 0.866 120.942 119.950 0.210 0.000 2.536 41 F HA 0.608 5.085 4.527 -0.083 0.000 0.322 41 F C -0.272 175.450 175.800 -0.130 0.000 1.144 41 F CA -1.043 56.958 58.000 0.003 0.000 0.924 41 F CB 2.071 41.176 39.000 0.175 0.000 1.181 41 F HN 0.399 nan 8.300 nan 0.000 0.438 42 T N -0.217 114.153 114.554 -0.306 0.000 2.861 42 T HA 0.842 5.145 4.350 -0.079 0.000 0.287 42 T C -1.090 173.275 174.700 -0.558 0.000 1.003 42 T CA -0.787 61.183 62.100 -0.217 0.000 0.977 42 T CB 1.513 70.370 68.868 -0.018 0.000 0.996 42 T HN 0.245 nan 8.240 nan 0.000 0.448 43 F N 0.591 120.639 119.950 0.162 0.000 2.578 43 F HA 0.717 5.195 4.527 -0.082 0.000 0.311 43 F C 1.127 177.000 175.800 0.121 0.000 1.094 43 F CA -0.024 58.050 58.000 0.124 0.000 0.923 43 F CB 1.934 40.994 39.000 0.100 0.000 1.230 43 F HN 1.204 nan 8.300 nan 0.000 0.450 44 G N 2.401 111.355 108.800 0.257 0.000 2.569 44 G HA2 -0.154 3.759 3.960 -0.079 0.000 0.259 44 G HA3 -0.154 3.759 3.960 -0.079 0.000 0.259 44 G C -1.159 173.831 174.900 0.150 0.000 1.263 44 G CA -0.613 44.591 45.100 0.173 0.000 0.928 44 G HN 0.577 nan 8.290 nan 0.000 0.572 45 K N 0.337 120.812 120.400 0.125 0.000 2.221 45 K HA 0.720 4.993 4.320 -0.079 0.000 0.258 45 K C 0.960 177.666 176.600 0.177 0.000 0.944 45 K CA -0.185 56.177 56.287 0.124 0.000 0.823 45 K CB 1.778 34.318 32.500 0.067 0.000 1.113 45 K HN 0.948 nan 8.250 nan 0.000 0.431 46 A N 1.396 124.324 122.820 0.180 0.000 1.935 46 A HA -0.061 4.211 4.320 -0.079 0.000 0.214 46 A C 0.293 178.049 177.584 0.287 0.000 1.178 46 A CA 1.251 53.396 52.037 0.179 0.000 0.640 46 A CB 0.046 19.104 19.000 0.096 0.000 0.825 46 A HN 0.710 nan 8.150 nan 0.000 0.447 47 D N -0.821 119.743 120.400 0.273 0.000 2.476 47 D HA 0.388 4.980 4.640 -0.079 0.000 0.251 47 D C 0.699 177.132 176.300 0.222 0.000 1.291 47 D CA -0.330 53.879 54.000 0.348 0.000 0.939 47 D CB 1.640 42.630 40.800 0.316 0.000 1.221 47 D HN -0.104 nan 8.370 nan 0.000 0.567 48 V N 3.462 123.519 119.914 0.239 0.000 2.358 48 V HA -0.151 3.922 4.120 -0.079 0.000 0.246 48 V C 2.508 178.630 176.094 0.048 0.000 1.047 48 V CA 2.139 64.469 62.300 0.049 0.000 1.035 48 V CB -0.664 31.045 31.823 -0.189 0.000 0.658 48 V HN 0.668 nan 8.190 nan 0.000 0.452 49 A N 0.107 122.964 122.820 0.060 0.000 1.877 49 A HA -0.076 4.196 4.320 -0.079 0.000 0.216 49 A C 2.264 179.854 177.584 0.011 0.000 1.186 49 A CA 2.061 54.100 52.037 0.002 0.000 0.620 49 A CB -0.675 18.289 19.000 -0.060 0.000 0.822 49 A HN 0.592 nan 8.150 nan 0.000 0.443 50 A N -1.669 121.173 122.820 0.038 0.000 2.218 50 A HA 0.174 4.447 4.320 -0.079 0.000 0.209 50 A C 0.899 178.513 177.584 0.050 0.000 1.168 50 A CA 0.676 52.740 52.037 0.045 0.000 0.804 50 A CB -0.728 18.314 19.000 0.071 0.000 0.834 50 A HN 0.707 nan 8.150 nan 0.000 0.482 51 N N -0.646 118.087 118.700 0.054 0.000 2.738 51 N HA -0.140 4.553 4.740 -0.079 0.000 0.249 51 N C -0.871 174.678 175.510 0.065 0.000 1.047 51 N CA 0.421 53.501 53.050 0.050 0.000 0.707 51 N CB -0.695 37.811 38.487 0.032 0.000 0.937 51 N HN 0.563 nan 8.380 nan 0.000 0.545 52 K N 0.952 121.407 120.400 0.090 0.000 2.172 52 K HA 0.376 4.649 4.320 -0.079 0.000 0.276 52 K C -2.331 174.329 176.600 0.100 0.000 1.013 52 K CA -1.342 55.002 56.287 0.094 0.000 0.913 52 K CB 1.239 33.807 32.500 0.113 0.000 1.055 52 K HN 0.117 nan 8.250 nan 0.000 0.461 53 P HA 0.105 nan 4.420 nan 0.000 0.281 53 P C -0.411 176.959 177.300 0.117 0.000 1.249 53 P CA -0.571 62.587 63.100 0.096 0.000 0.810 53 P CB 0.824 32.568 31.700 0.073 0.000 1.008 54 V N 2.495 122.501 119.914 0.154 0.000 2.521 54 V HA 0.211 4.284 4.120 -0.079 0.000 0.286 54 V C 1.279 177.461 176.094 0.147 0.000 1.034 54 V CA 0.693 63.114 62.300 0.201 0.000 1.045 54 V CB 0.136 32.168 31.823 0.348 0.000 0.974 54 V HN 0.840 nan 8.190 nan 0.000 0.480 55 T N 3.152 117.777 114.554 0.118 0.000 2.807 55 T HA 0.515 4.818 4.350 -0.079 0.000 0.277 55 T C -2.301 172.423 174.700 0.040 0.000 1.006 55 T CA -2.026 60.110 62.100 0.059 0.000 1.006 55 T CB 2.056 70.939 68.868 0.024 0.000 1.274 55 T HN 0.339 nan 8.240 nan 0.000 0.569 56 P HA 0.107 nan 4.420 nan 0.000 0.233 56 P C 1.091 178.276 177.300 -0.191 0.000 1.167 56 P CA 0.709 63.690 63.100 -0.199 0.000 0.770 56 P CB 0.005 31.456 31.700 -0.416 0.000 0.837 57 Q N -1.435 118.262 119.800 -0.173 0.000 2.398 57 Q HA 0.052 4.344 4.340 -0.079 0.000 0.204 57 Q C 0.252 176.142 176.000 -0.184 0.000 0.932 57 Q CA 0.473 56.098 55.803 -0.296 0.000 0.916 57 Q CB -0.402 28.046 28.738 -0.484 0.000 1.024 57 Q HN 0.178 nan 8.270 nan 0.000 0.504 58 T N 2.403 116.940 114.554 -0.027 0.000 2.871 58 T HA 0.109 4.412 4.350 -0.079 0.000 0.296 58 T C 0.125 174.817 174.700 -0.014 0.000 0.998 58 T CA 0.227 62.323 62.100 -0.008 0.000 1.162 58 T CB 0.269 69.120 68.868 -0.029 0.000 0.947 58 T HN 0.112 nan 8.240 nan 0.000 0.536 59 L N 3.983 125.180 121.223 -0.043 0.000 2.305 59 L HA 0.513 4.806 4.340 -0.079 0.000 0.281 59 L C -0.286 176.517 176.870 -0.112 0.000 1.085 59 L CA -0.469 54.348 54.840 -0.037 0.000 0.813 59 L CB 0.277 42.259 42.059 -0.127 0.000 1.157 59 L HN 0.529 nan 8.230 nan 0.000 0.436 60 F N 0.393 120.359 119.950 0.028 0.000 2.579 60 F HA 0.368 4.847 4.527 -0.080 0.000 0.324 60 F C 0.342 175.921 175.800 -0.370 0.000 1.058 60 F CA -0.842 57.162 58.000 0.007 0.000 0.944 60 F CB 1.568 40.700 39.000 0.221 0.000 1.245 60 F HN 0.387 nan 8.300 nan 0.000 0.477 61 E N 1.819 121.533 120.200 -0.811 0.000 2.180 61 E HA 0.127 4.429 4.350 -0.079 0.000 0.283 61 E C 0.295 176.803 176.600 -0.154 0.000 1.061 61 E CA -0.264 55.790 56.400 -0.578 0.000 0.861 61 E CB 0.919 30.135 29.700 -0.806 0.000 1.056 61 E HN 0.457 nan 8.360 nan 0.000 0.407 62 L N 3.328 124.528 121.223 -0.039 0.000 2.201 62 L HA -0.063 4.229 4.340 -0.079 0.000 0.212 62 L C 1.426 178.372 176.870 0.127 0.000 1.105 62 L CA 1.959 56.841 54.840 0.071 0.000 0.775 62 L CB -1.319 40.769 42.059 0.049 0.000 0.913 62 L HN 0.915 nan 8.230 nan 0.000 0.440 63 G N -1.101 107.777 108.800 0.128 0.000 2.611 63 G HA2 -0.414 3.498 3.960 -0.079 0.000 0.301 63 G HA3 -0.414 3.498 3.960 -0.079 0.000 0.301 63 G C 1.120 176.157 174.900 0.228 0.000 1.233 63 G CA 0.540 45.764 45.100 0.207 0.000 0.993 63 G HN 0.231 nan 8.290 nan 0.000 0.553 64 S N 0.429 116.268 115.700 0.233 0.000 2.500 64 S HA 0.044 4.466 4.470 -0.079 0.000 0.239 64 S C 2.283 177.006 174.600 0.205 0.000 0.989 64 S CA 1.361 59.714 58.200 0.256 0.000 0.951 64 S CB -0.197 63.189 63.200 0.310 0.000 0.759 64 S HN 0.473 nan 8.310 nan 0.000 0.523 65 I N 1.392 122.063 120.570 0.169 0.000 2.614 65 I HA -0.117 4.006 4.170 -0.079 0.000 0.258 65 I C 2.026 178.248 176.117 0.174 0.000 1.189 65 I CA 0.492 61.869 61.300 0.129 0.000 1.462 65 I CB -0.371 37.721 38.000 0.152 0.000 1.092 65 I HN 0.189 nan 8.210 nan 0.000 0.442 66 S N 0.917 116.738 115.700 0.202 0.000 2.402 66 S HA -0.204 4.219 4.470 -0.079 0.000 0.233 66 S C 1.850 176.598 174.600 0.246 0.000 1.030 66 S CA 1.234 59.581 58.200 0.245 0.000 1.003 66 S CB -0.240 63.027 63.200 0.112 0.000 0.813 66 S HN 0.461 nan 8.310 nan 0.000 0.477 67 K N 0.869 121.366 120.400 0.161 0.000 2.281 67 K HA -0.098 4.175 4.320 -0.079 0.000 0.203 67 K C 2.363 178.984 176.600 0.035 0.000 1.046 67 K CA 1.547 57.910 56.287 0.127 0.000 0.938 67 K CB -0.431 32.169 32.500 0.168 0.000 0.737 67 K HN 0.637 nan 8.250 nan 0.000 0.458 68 T N -1.669 112.818 114.554 -0.111 0.000 2.942 68 T HA -0.049 4.254 4.350 -0.079 0.000 0.265 68 T C 1.711 176.399 174.700 -0.020 0.000 1.062 68 T CA 0.579 62.441 62.100 -0.397 0.000 1.139 68 T CB -0.264 67.967 68.868 -1.061 0.000 0.883 68 T HN 0.005 nan 8.240 nan 0.000 0.468 69 F N 2.313 122.307 119.950 0.072 0.000 2.128 69 F HA 0.067 4.515 4.527 -0.132 0.000 0.295 69 F C 2.999 178.864 175.800 0.108 0.000 1.100 69 F CA 1.313 59.322 58.000 0.015 0.000 1.260 69 F CB -1.149 37.756 39.000 -0.159 0.000 1.009 69 F HN 0.111 nan 8.300 nan 0.000 0.476 70 T N -0.377 114.372 114.554 0.324 0.000 2.665 70 T HA -0.204 4.098 4.350 -0.079 0.000 0.268 70 T C 2.353 177.227 174.700 0.290 0.000 1.035 70 T CA 1.534 63.821 62.100 0.310 0.000 1.151 70 T CB -1.168 67.851 68.868 0.251 0.000 0.862 70 T HN 0.451 nan 8.240 nan 0.000 0.438 71 G N 0.971 109.909 108.800 0.231 0.000 2.446 71 G HA2 -0.179 3.734 3.960 -0.079 0.000 0.217 71 G HA3 -0.179 3.734 3.960 -0.079 0.000 0.217 71 G C 1.707 176.752 174.900 0.241 0.000 1.168 71 G CA 0.962 46.189 45.100 0.211 0.000 0.771 71 G HN 0.456 nan 8.290 nan 0.000 0.551 72 V N 0.602 120.670 119.914 0.257 0.000 2.427 72 V HA -0.084 3.989 4.120 -0.079 0.000 0.248 72 V C 2.655 178.871 176.094 0.203 0.000 1.051 72 V CA 1.462 63.923 62.300 0.268 0.000 1.048 72 V CB -0.322 31.745 31.823 0.406 0.000 0.666 72 V HN 0.332 nan 8.190 nan 0.000 0.456 73 L N 1.352 122.677 121.223 0.170 0.000 2.093 73 L HA 0.012 4.305 4.340 -0.079 0.000 0.208 73 L C 2.307 179.203 176.870 0.044 0.000 1.085 73 L CA 2.322 57.191 54.840 0.049 0.000 0.755 73 L CB -1.110 40.914 42.059 -0.058 0.000 0.904 73 L HN 0.262 nan 8.230 nan 0.000 0.435 74 G N -1.223 107.659 108.800 0.136 0.000 2.408 74 G HA2 -0.165 3.747 3.960 -0.079 0.000 0.217 74 G HA3 -0.165 3.747 3.960 -0.079 0.000 0.217 74 G C 1.503 176.516 174.900 0.190 0.000 1.150 74 G CA 0.487 45.687 45.100 0.168 0.000 0.776 74 G HN 0.569 nan 8.290 nan 0.000 0.542 75 G N 0.401 109.315 108.800 0.190 0.000 2.408 75 G HA2 -0.200 3.713 3.960 -0.079 0.000 0.217 75 G HA3 -0.200 3.713 3.960 -0.079 0.000 0.217 75 G C 1.469 176.432 174.900 0.104 0.000 1.150 75 G CA 1.212 46.405 45.100 0.155 0.000 0.776 75 G HN 0.457 nan 8.290 nan 0.000 0.542 76 D N 1.039 121.489 120.400 0.083 0.000 2.178 76 D HA -0.011 4.582 4.640 -0.079 0.000 0.202 76 D C 2.582 178.896 176.300 0.024 0.000 0.974 76 D CA 1.023 55.052 54.000 0.047 0.000 0.841 76 D CB -0.026 40.793 40.800 0.032 0.000 0.953 76 D HN 0.260 nan 8.370 nan 0.000 0.478 77 A N 0.408 123.235 122.820 0.012 0.000 2.014 77 A HA 0.001 4.273 4.320 -0.079 0.000 0.218 77 A C 2.335 179.932 177.584 0.022 0.000 1.163 77 A CA 0.384 52.416 52.037 -0.009 0.000 0.652 77 A CB -0.367 18.599 19.000 -0.058 0.000 0.808 77 A HN 0.284 nan 8.150 nan 0.000 0.449 78 I N -0.268 120.333 120.570 0.051 0.000 2.233 78 I HA -0.190 3.933 4.170 -0.079 0.000 0.243 78 I C 2.878 179.030 176.117 0.057 0.000 1.093 78 I CA 1.008 62.350 61.300 0.069 0.000 1.380 78 I CB -0.299 37.762 38.000 0.100 0.000 1.067 78 I HN 0.291 nan 8.210 nan 0.000 0.413 79 A N 0.673 123.525 122.820 0.053 0.000 2.076 79 A HA -0.180 4.093 4.320 -0.079 0.000 0.220 79 A C 2.309 179.911 177.584 0.029 0.000 1.160 79 A CA 1.454 53.515 52.037 0.041 0.000 0.653 79 A CB -0.584 18.439 19.000 0.039 0.000 0.801 79 A HN 0.352 nan 8.150 nan 0.000 0.455 80 R N -1.778 118.737 120.500 0.025 0.000 2.275 80 R HA 0.168 4.461 4.340 -0.079 0.000 0.199 80 R C 1.379 177.692 176.300 0.023 0.000 0.989 80 R CA 0.567 56.677 56.100 0.017 0.000 1.016 80 R CB -0.081 30.222 30.300 0.006 0.000 0.918 80 R HN 0.681 nan 8.270 nan 0.000 0.473 81 G N 0.987 109.808 108.800 0.034 0.000 2.143 81 G HA2 -0.315 3.598 3.960 -0.079 0.000 0.249 81 G HA3 -0.315 3.598 3.960 -0.079 0.000 0.249 81 G C 0.557 175.488 174.900 0.051 0.000 0.981 81 G CA 0.562 45.687 45.100 0.042 0.000 0.665 81 G HN 0.435 nan 8.290 nan 0.000 0.528 82 E N -0.560 119.668 120.200 0.047 0.000 2.158 82 E HA 0.236 4.538 4.350 -0.079 0.000 0.191 82 E C 1.435 178.106 176.600 0.118 0.000 0.982 82 E CA 1.162 57.598 56.400 0.059 0.000 0.823 82 E CB 0.174 29.889 29.700 0.025 0.000 0.766 82 E HN 0.922 nan 8.360 nan 0.000 0.468 83 I N -3.417 117.211 120.570 0.096 0.000 2.894 83 I HA 0.506 4.629 4.170 -0.079 0.000 0.302 83 I C -0.900 175.286 176.117 0.116 0.000 1.188 83 I CA -1.036 60.340 61.300 0.125 0.000 1.014 83 I CB 2.539 40.473 38.000 -0.110 0.000 1.242 83 I HN -0.282 nan 8.210 nan 0.000 0.430 84 S N 3.669 119.466 115.700 0.161 0.000 2.521 84 S HA 0.487 4.910 4.470 -0.079 0.000 0.295 84 S C 0.530 175.211 174.600 0.135 0.000 1.098 84 S CA -0.638 57.642 58.200 0.134 0.000 0.999 84 S CB 1.626 64.903 63.200 0.130 0.000 1.034 84 S HN 0.702 nan 8.310 nan 0.000 0.483 85 L N 4.690 125.981 121.223 0.114 0.000 2.187 85 L HA 0.057 4.350 4.340 -0.079 0.000 0.213 85 L C 2.508 179.440 176.870 0.102 0.000 1.100 85 L CA 2.368 57.259 54.840 0.085 0.000 0.765 85 L CB -1.483 40.596 42.059 0.032 0.000 0.904 85 L HN 0.950 nan 8.230 nan 0.000 0.437 86 G N -1.541 107.326 108.800 0.112 0.000 2.443 86 G HA2 -0.143 3.770 3.960 -0.079 0.000 0.219 86 G HA3 -0.143 3.770 3.960 -0.079 0.000 0.219 86 G C 0.525 175.508 174.900 0.139 0.000 1.131 86 G CA 0.027 45.194 45.100 0.111 0.000 0.775 86 G HN 0.318 nan 8.290 nan 0.000 0.547 87 D N 1.277 121.785 120.400 0.179 0.000 2.423 87 D HA 0.239 4.832 4.640 -0.079 0.000 0.238 87 D C -2.284 174.163 176.300 0.245 0.000 1.142 87 D CA -1.218 52.919 54.000 0.228 0.000 0.884 87 D CB 0.868 41.886 40.800 0.365 0.000 1.199 87 D HN 0.048 nan 8.370 nan 0.000 0.438 88 P HA -0.013 nan 4.420 nan 0.000 0.271 88 P C 1.088 178.559 177.300 0.285 0.000 1.216 88 P CA -0.301 62.927 63.100 0.215 0.000 0.771 88 P CB 0.799 32.593 31.700 0.158 0.000 0.864 89 V N 2.786 122.882 119.914 0.303 0.000 2.282 89 V HA -0.289 3.783 4.120 -0.079 0.000 0.249 89 V C 2.277 178.540 176.094 0.282 0.000 1.057 89 V CA 2.518 65.008 62.300 0.316 0.000 1.032 89 V CB -1.556 30.454 31.823 0.312 0.000 0.645 89 V HN 0.648 nan 8.190 nan 0.000 0.447 90 T N -0.699 113.970 114.554 0.193 0.000 2.882 90 T HA -0.294 4.008 4.350 -0.079 0.000 0.268 90 T C 1.798 176.531 174.700 0.055 0.000 1.104 90 T CA 1.984 64.147 62.100 0.105 0.000 1.118 90 T CB -0.325 68.607 68.868 0.107 0.000 0.831 90 T HN 0.663 nan 8.240 nan 0.000 0.529 91 K N -0.493 119.915 120.400 0.013 0.000 2.418 91 K HA 0.005 4.277 4.320 -0.079 0.000 0.195 91 K C 1.065 177.375 176.600 -0.483 0.000 1.035 91 K CA 0.943 57.088 56.287 -0.236 0.000 1.003 91 K CB 0.022 32.339 32.500 -0.305 0.000 0.793 91 K HN 0.407 nan 8.250 nan 0.000 0.494 92 Y N -1.995 118.337 120.300 0.053 0.000 2.442 92 Y HA 0.186 4.693 4.550 -0.073 0.000 0.250 92 Y C 0.079 176.014 175.900 0.060 0.000 1.113 92 Y CA -0.576 57.534 58.100 0.018 0.000 1.273 92 Y CB 0.643 39.088 38.460 -0.025 0.000 1.138 92 Y HN 0.110 nan 8.280 nan 0.000 0.522 93 W N 3.620 124.911 121.300 -0.016 0.000 2.036 93 W HA 0.385 4.998 4.660 -0.078 0.000 0.294 93 W C -2.312 174.149 176.519 -0.096 0.000 0.948 93 W CA -3.476 53.821 57.345 -0.081 0.000 1.774 93 W CB 0.815 30.178 29.460 -0.161 0.000 1.950 93 W HN -0.136 nan 8.180 nan 0.000 0.384 94 P HA -0.207 nan 4.420 nan 0.000 0.221 94 P C 0.724 177.998 177.300 -0.044 0.000 1.145 94 P CA 1.704 64.826 63.100 0.036 0.000 0.795 94 P CB 0.467 32.184 31.700 0.028 0.000 0.775 95 E N -0.792 119.359 120.200 -0.082 0.000 2.418 95 E HA -0.024 4.279 4.350 -0.079 0.000 0.197 95 E C 0.631 176.984 176.600 -0.412 0.000 1.026 95 E CA 0.181 56.454 56.400 -0.212 0.000 0.862 95 E CB -0.654 28.959 29.700 -0.145 0.000 0.799 95 E HN 0.122 nan 8.360 nan 0.000 0.518 96 L N 1.816 122.707 121.223 -0.552 0.000 2.384 96 L HA 0.084 4.376 4.340 -0.079 0.000 0.258 96 L C 0.867 177.574 176.870 -0.272 0.000 1.266 96 L CA 0.455 54.926 54.840 -0.616 0.000 1.162 96 L CB -0.427 41.118 42.059 -0.857 0.000 1.375 96 L HN 0.072 nan 8.230 nan 0.000 0.420 97 T N -1.762 112.698 114.554 -0.156 0.000 3.081 97 T HA 0.197 4.500 4.350 -0.079 0.000 0.250 97 T C 0.998 175.726 174.700 0.046 0.000 1.100 97 T CA 0.112 62.191 62.100 -0.035 0.000 1.038 97 T CB -0.119 68.727 68.868 -0.037 0.000 0.962 97 T HN 0.478 nan 8.240 nan 0.000 0.516 98 G N 1.378 110.237 108.800 0.098 0.000 2.414 98 G HA2 0.201 4.114 3.960 -0.079 0.000 0.236 98 G HA3 0.201 4.114 3.960 -0.079 0.000 0.236 98 G C 0.546 175.570 174.900 0.207 0.000 1.293 98 G CA -0.640 44.564 45.100 0.174 0.000 0.869 98 G HN 0.406 nan 8.290 nan 0.000 0.556 99 K N 1.052 121.514 120.400 0.103 0.000 2.283 99 K HA -0.132 4.141 4.320 -0.079 0.000 0.202 99 K C 2.471 179.089 176.600 0.030 0.000 1.048 99 K CA 1.411 57.736 56.287 0.063 0.000 0.948 99 K CB 0.060 32.570 32.500 0.018 0.000 0.742 99 K HN 0.612 nan 8.250 nan 0.000 0.458 100 Q N -0.391 119.391 119.800 -0.031 0.000 2.291 100 Q HA -0.132 4.160 4.340 -0.079 0.000 0.205 100 Q C 1.117 176.983 176.000 -0.224 0.000 0.970 100 Q CA 1.145 56.818 55.803 -0.216 0.000 0.876 100 Q CB -0.367 28.097 28.738 -0.456 0.000 0.935 100 Q HN 0.393 nan 8.270 nan 0.000 0.455 101 W N 1.125 122.468 121.300 0.073 0.000 2.800 101 W HA 0.086 4.695 4.660 -0.084 0.000 0.249 101 W C 1.147 177.723 176.519 0.094 0.000 1.294 101 W CA 0.091 57.504 57.345 0.113 0.000 1.402 101 W CB 0.367 29.879 29.460 0.086 0.000 1.126 101 W HN 0.154 nan 8.180 nan 0.000 0.652 102 Q N -0.873 119.050 119.800 0.205 0.000 2.194 102 Q HA 0.461 4.754 4.340 -0.079 0.000 0.245 102 Q C 1.197 177.272 176.000 0.125 0.000 0.993 102 Q CA 0.467 56.380 55.803 0.182 0.000 0.930 102 Q CB 1.579 30.406 28.738 0.149 0.000 1.238 102 Q HN 0.150 nan 8.270 nan 0.000 0.486 103 G N 0.535 109.413 108.800 0.131 0.000 2.241 103 G HA2 -0.240 3.673 3.960 -0.079 0.000 0.244 103 G HA3 -0.240 3.673 3.960 -0.079 0.000 0.244 103 G C 0.094 175.080 174.900 0.143 0.000 0.998 103 G CA 0.081 45.249 45.100 0.115 0.000 0.621 103 G HN 0.529 nan 8.290 nan 0.000 0.519 104 I N 2.275 122.950 120.570 0.174 0.000 2.322 104 I HA 0.400 4.523 4.170 -0.079 0.000 0.292 104 I C 0.841 177.103 176.117 0.242 0.000 1.060 104 I CA -0.462 60.962 61.300 0.208 0.000 1.309 104 I CB 0.622 38.763 38.000 0.235 0.000 1.415 104 I HN 0.093 nan 8.210 nan 0.000 0.492 105 R N 4.840 125.463 120.500 0.204 0.000 2.596 105 R HA 0.414 4.706 4.340 -0.079 0.000 0.267 105 R C 1.056 177.464 176.300 0.180 0.000 1.026 105 R CA -0.779 55.437 56.100 0.194 0.000 1.087 105 R CB 0.653 31.049 30.300 0.162 0.000 1.132 105 R HN 0.444 nan 8.270 nan 0.000 0.531 106 M N 0.749 120.456 119.600 0.179 0.000 2.108 106 M HA -0.174 4.259 4.480 -0.079 0.000 0.257 106 M C 1.912 178.229 176.300 0.029 0.000 1.071 106 M CA 1.631 57.032 55.300 0.168 0.000 1.093 106 M CB -0.947 31.746 32.600 0.155 0.000 1.345 106 M HN 0.584 nan 8.290 nan 0.000 0.403 107 L N 1.209 122.433 121.223 0.001 0.000 2.043 107 L HA -0.239 4.054 4.340 -0.079 0.000 0.212 107 L C 1.852 178.700 176.870 -0.037 0.000 1.075 107 L CA 2.055 56.842 54.840 -0.088 0.000 0.752 107 L CB -0.951 41.125 42.059 0.028 0.000 0.891 107 L HN 0.301 nan 8.230 nan 0.000 0.432 108 D N -0.751 119.696 120.400 0.077 0.000 2.178 108 D HA -0.173 4.419 4.640 -0.079 0.000 0.202 108 D C 2.334 178.615 176.300 -0.031 0.000 0.974 108 D CA 1.469 55.514 54.000 0.076 0.000 0.841 108 D CB -0.047 40.833 40.800 0.134 0.000 0.953 108 D HN 0.415 nan 8.370 nan 0.000 0.478 109 L N 0.942 122.155 121.223 -0.016 0.000 2.027 109 L HA -0.097 4.196 4.340 -0.079 0.000 0.206 109 L C 2.668 179.392 176.870 -0.243 0.000 1.074 109 L CA 0.979 55.804 54.840 -0.024 0.000 0.745 109 L CB -0.476 41.658 42.059 0.124 0.000 0.898 109 L HN -0.037 nan 8.230 nan 0.000 0.433 110 A N -0.270 122.214 122.820 -0.559 0.000 2.024 110 A HA -0.187 4.085 4.320 -0.079 0.000 0.220 110 A C 1.994 179.078 177.584 -0.833 0.000 1.164 110 A CA 2.193 53.623 52.037 -1.012 0.000 0.643 110 A CB -0.702 17.219 19.000 -1.798 0.000 0.806 110 A HN 0.540 nan 8.150 nan 0.000 0.451 111 T N -6.822 107.339 114.554 -0.656 0.000 3.200 111 T HA 0.353 4.656 4.350 -0.079 0.000 0.284 111 T C 0.168 174.556 174.700 -0.519 0.000 1.009 111 T CA 0.184 61.896 62.100 -0.646 0.000 0.907 111 T CB -0.505 68.290 68.868 -0.123 0.000 1.120 111 T HN 0.709 nan 8.240 nan 0.000 0.534 112 Y N -0.849 119.366 120.300 -0.143 0.000 4.272 112 Y HA -0.210 4.273 4.550 -0.112 0.000 0.232 112 Y C 1.259 177.067 175.900 -0.153 0.000 1.149 112 Y CA 0.453 58.477 58.100 -0.127 0.000 1.961 112 Y CB -3.043 35.351 38.460 -0.110 0.000 1.611 112 Y HN 0.406 nan 8.280 nan 0.000 0.682 113 T N -1.536 112.951 114.554 -0.111 0.000 3.129 113 T HA 0.537 4.839 4.350 -0.079 0.000 0.267 113 T C 1.558 176.245 174.700 -0.022 0.000 1.018 113 T CA 0.568 62.535 62.100 -0.220 0.000 0.903 113 T CB -0.028 68.452 68.868 -0.647 0.000 1.067 113 T HN 0.547 nan 8.240 nan 0.000 0.549 114 A N 0.325 123.180 122.820 0.058 0.000 2.119 114 A HA 0.503 4.775 4.320 -0.079 0.000 0.217 114 A C 1.797 179.540 177.584 0.266 0.000 1.153 114 A CA 0.965 53.074 52.037 0.120 0.000 0.692 114 A CB -0.353 18.663 19.000 0.027 0.000 0.799 114 A HN 0.802 nan 8.150 nan 0.000 0.458 115 G N -3.478 105.530 108.800 0.347 0.000 2.155 115 G HA2 0.370 4.283 3.960 -0.079 0.000 0.130 115 G HA3 0.370 4.283 3.960 -0.079 0.000 0.130 115 G C 0.990 176.248 174.900 0.598 0.000 1.027 115 G CA 0.376 45.757 45.100 0.469 0.000 0.705 115 G HN 1.978 nan 8.290 nan 0.000 0.496 116 G N -0.638 108.547 108.800 0.641 0.000 2.157 116 G HA2 -0.024 3.889 3.960 -0.079 0.000 0.118 116 G HA3 -0.024 3.889 3.960 -0.079 0.000 0.118 116 G C 0.314 175.516 174.900 0.503 0.000 1.032 116 G CA -0.104 45.353 45.100 0.596 0.000 0.697 116 G HN 1.088 nan 8.290 nan 0.000 0.495 117 L N 2.053 123.324 121.223 0.079 0.000 2.514 117 L HA 0.257 4.550 4.340 -0.079 0.000 0.280 117 L C -0.726 176.178 176.870 0.057 0.000 1.223 117 L CA -1.166 53.467 54.840 -0.345 0.000 0.864 117 L CB 0.411 42.238 42.059 -0.388 0.000 1.118 117 L HN 0.125 nan 8.230 nan 0.000 0.494 118 P HA -0.049 nan 4.420 nan 0.000 0.272 118 P C 0.583 177.960 177.300 0.128 0.000 1.230 118 P CA -0.564 62.642 63.100 0.177 0.000 0.788 118 P CB 1.044 32.877 31.700 0.221 0.000 0.949 119 L N 0.778 122.066 121.223 0.110 0.000 1.997 119 L HA -0.175 4.117 4.340 -0.079 0.000 0.216 119 L C 0.857 177.763 176.870 0.060 0.000 1.074 119 L CA 2.125 57.015 54.840 0.083 0.000 0.763 119 L CB -0.954 41.161 42.059 0.093 0.000 0.890 119 L HN 0.403 nan 8.230 nan 0.000 0.434 120 Q N -0.679 119.147 119.800 0.044 0.000 2.342 120 Q HA 0.384 4.676 4.340 -0.079 0.000 0.267 120 Q C -0.801 175.168 176.000 -0.052 0.000 1.038 120 Q CA -0.861 54.944 55.803 0.004 0.000 0.832 120 Q CB 1.973 30.692 28.738 -0.032 0.000 1.323 120 Q HN -0.044 nan 8.270 nan 0.000 0.448 121 V N 3.777 123.640 119.914 -0.085 0.000 2.585 121 V HA 0.083 4.156 4.120 -0.079 0.000 0.296 121 V C -1.913 173.979 176.094 -0.336 0.000 1.035 121 V CA -0.868 61.234 62.300 -0.331 0.000 1.084 121 V CB 0.187 31.891 31.823 -0.198 0.000 0.953 121 V HN 0.596 nan 8.190 nan 0.000 0.483 122 P HA 0.079 nan 4.420 nan 0.000 0.267 122 P C 0.109 177.295 177.300 -0.190 0.000 1.200 122 P CA -0.185 62.744 63.100 -0.284 0.000 0.772 122 P CB 0.395 31.917 31.700 -0.296 0.000 0.855 123 D N 0.999 121.338 120.400 -0.103 0.000 2.371 123 D HA -0.122 4.471 4.640 -0.079 0.000 0.221 123 D C 0.849 177.119 176.300 -0.049 0.000 0.986 123 D CA 0.834 54.798 54.000 -0.060 0.000 0.899 123 D CB -0.439 40.343 40.800 -0.030 0.000 0.902 123 D HN 0.316 nan 8.370 nan 0.000 0.530 124 E N 0.200 120.363 120.200 -0.062 0.000 2.204 124 E HA -0.001 4.302 4.350 -0.079 0.000 0.194 124 E C 0.401 176.977 176.600 -0.040 0.000 0.989 124 E CA 0.311 56.688 56.400 -0.039 0.000 0.824 124 E CB -0.001 29.679 29.700 -0.034 0.000 0.756 124 E HN 0.151 nan 8.360 nan 0.000 0.477 125 V N 1.905 121.771 119.914 -0.081 0.000 2.370 125 V HA 0.063 4.136 4.120 -0.079 0.000 0.257 125 V C 0.721 176.799 176.094 -0.027 0.000 1.064 125 V CA 0.322 62.584 62.300 -0.064 0.000 0.975 125 V CB 0.883 32.613 31.823 -0.154 0.000 1.067 125 V HN 0.094 nan 8.190 nan 0.000 0.485 126 K N 2.450 122.852 120.400 0.003 0.000 2.380 126 K HA 0.178 4.451 4.320 -0.079 0.000 0.198 126 K C 0.337 176.952 176.600 0.025 0.000 1.070 126 K CA 0.045 56.339 56.287 0.012 0.000 1.040 126 K CB 0.507 33.015 32.500 0.012 0.000 0.903 126 K HN 0.884 nan 8.250 nan 0.000 0.549 127 D N -2.211 118.213 120.400 0.041 0.000 2.752 127 D HA 0.082 4.675 4.640 -0.079 0.000 0.313 127 D C -0.011 176.345 176.300 0.094 0.000 1.225 127 D CA -0.637 53.395 54.000 0.054 0.000 0.976 127 D CB 0.172 40.999 40.800 0.046 0.000 1.443 127 D HN -0.302 nan 8.370 nan 0.000 0.515 128 N N -0.510 118.251 118.700 0.102 0.000 2.166 128 N HA -0.131 4.562 4.740 -0.079 0.000 0.186 128 N C 1.669 177.323 175.510 0.240 0.000 1.019 128 N CA 1.610 54.760 53.050 0.167 0.000 0.856 128 N CB -0.069 38.490 38.487 0.119 0.000 0.993 128 N HN 0.545 nan 8.380 nan 0.000 0.426 129 A N 1.226 124.141 122.820 0.159 0.000 1.855 129 A HA -0.128 4.145 4.320 -0.079 0.000 0.215 129 A C 2.406 180.070 177.584 0.132 0.000 1.191 129 A CA 2.047 54.164 52.037 0.134 0.000 0.613 129 A CB -0.806 18.246 19.000 0.087 0.000 0.829 129 A HN 0.445 nan 8.150 nan 0.000 0.442 130 S N -0.431 115.338 115.700 0.115 0.000 2.447 130 S HA -0.088 4.335 4.470 -0.079 0.000 0.233 130 S C 1.759 176.455 174.600 0.160 0.000 1.006 130 S CA 1.303 59.568 58.200 0.108 0.000 0.957 130 S CB -0.477 62.764 63.200 0.068 0.000 0.773 130 S HN 0.382 nan 8.310 nan 0.000 0.507 131 L N 1.063 122.415 121.223 0.215 0.000 2.072 131 L HA 0.214 4.506 4.340 -0.079 0.000 0.205 131 L C 2.283 179.404 176.870 0.419 0.000 1.079 131 L CA 1.247 56.289 54.840 0.336 0.000 0.752 131 L CB -0.494 41.802 42.059 0.395 0.000 0.906 131 L HN 0.338 nan 8.230 nan 0.000 0.436 132 L N -0.511 120.911 121.223 0.330 0.000 1.989 132 L HA -0.263 4.029 4.340 -0.079 0.000 0.211 132 L C 2.800 179.652 176.870 -0.029 0.000 1.071 132 L CA 1.720 56.547 54.840 -0.022 0.000 0.749 132 L CB -0.334 41.707 42.059 -0.030 0.000 0.890 132 L HN 0.325 nan 8.230 nan 0.000 0.431 133 R N -0.971 119.563 120.500 0.057 0.000 2.105 133 R HA -0.248 4.045 4.340 -0.079 0.000 0.239 133 R C 2.166 178.536 176.300 0.118 0.000 1.135 133 R CA 1.869 58.009 56.100 0.067 0.000 0.967 133 R CB -0.624 29.725 30.300 0.081 0.000 0.861 133 R HN 0.362 nan 8.270 nan 0.000 0.442 134 F N 0.538 120.486 119.950 -0.003 0.000 2.134 134 F HA -0.209 4.268 4.527 -0.082 0.000 0.299 134 F C 1.615 177.434 175.800 0.031 0.000 1.097 134 F CA 1.268 59.240 58.000 -0.048 0.000 1.264 134 F CB -0.383 38.509 39.000 -0.181 0.000 1.001 134 F HN -0.102 nan 8.300 nan 0.000 0.479 135 Y N 0.516 120.690 120.300 -0.210 0.000 2.337 135 Y HA -0.101 4.399 4.550 -0.083 0.000 0.293 135 Y C 2.586 178.631 175.900 0.241 0.000 1.123 135 Y CA 1.171 59.205 58.100 -0.110 0.000 1.201 135 Y CB -0.866 37.468 38.460 -0.209 0.000 1.011 135 Y HN 0.111 nan 8.280 nan 0.000 0.545 136 Q N 0.127 120.022 119.800 0.158 0.000 2.084 136 Q HA -0.164 4.129 4.340 -0.079 0.000 0.202 136 Q C 1.295 177.406 176.000 0.184 0.000 0.978 136 Q CA 1.526 57.419 55.803 0.150 0.000 0.844 136 Q CB -0.565 28.175 28.738 0.002 0.000 0.898 136 Q HN 0.580 nan 8.270 nan 0.000 0.426 137 N N -0.726 118.050 118.700 0.127 0.000 2.398 137 N HA -0.021 4.671 4.740 -0.079 0.000 0.188 137 N C -0.238 175.329 175.510 0.094 0.000 1.122 137 N CA -0.267 52.839 53.050 0.093 0.000 0.866 137 N CB 0.102 38.637 38.487 0.081 0.000 0.970 137 N HN 0.200 nan 8.380 nan 0.000 0.462 138 W N 2.169 123.421 121.300 -0.081 0.000 2.253 138 W HA 0.229 4.846 4.660 -0.071 0.000 0.322 138 W C -0.254 176.191 176.519 -0.124 0.000 1.342 138 W CA -0.447 56.818 57.345 -0.134 0.000 1.218 138 W CB 0.482 29.801 29.460 -0.236 0.000 1.205 138 W HN -0.119 nan 8.180 nan 0.000 0.551 139 Q N 8.127 127.424 119.800 -0.839 0.000 2.348 139 Q HA 0.441 4.733 4.340 -0.079 0.000 0.265 139 Q C -2.381 172.816 176.000 -1.338 0.000 0.998 139 Q CA -2.522 52.717 55.803 -0.940 0.000 0.831 139 Q CB 1.421 29.884 28.738 -0.457 0.000 1.251 139 Q HN 0.196 nan 8.270 nan 0.000 0.456 140 P HA -0.007 nan 4.420 nan 0.000 0.266 140 P C -0.220 176.676 177.300 -0.675 0.000 1.195 140 P CA 0.100 62.550 63.100 -1.083 0.000 0.768 140 P CB 0.827 32.031 31.700 -0.826 0.000 0.838 141 Q N 0.621 119.999 119.800 -0.704 0.000 2.392 141 Q HA 0.104 4.397 4.340 -0.079 0.000 0.219 141 Q C 0.043 175.432 176.000 -1.019 0.000 0.895 141 Q CA 1.044 56.252 55.803 -0.991 0.000 0.929 141 Q CB 0.413 28.268 28.738 -1.472 0.000 1.077 141 Q HN 0.605 nan 8.270 nan 0.000 0.532 142 W N 0.870 122.145 121.300 -0.043 0.000 2.929 142 W HA 0.436 5.047 4.660 -0.080 0.000 0.345 142 W C 0.257 176.757 176.519 -0.033 0.000 1.151 142 W CA -0.914 56.416 57.345 -0.026 0.000 1.111 142 W CB 0.522 29.982 29.460 0.000 0.000 1.449 142 W HN -0.337 nan 8.180 nan 0.000 0.572 143 K N 1.772 122.290 120.400 0.197 0.000 2.258 143 K HA 0.207 4.480 4.320 -0.079 0.000 0.264 143 K C -2.100 174.585 176.600 0.142 0.000 1.007 143 K CA -1.686 54.667 56.287 0.110 0.000 0.941 143 K CB -0.285 32.274 32.500 0.097 0.000 0.966 143 K HN -0.017 nan 8.250 nan 0.000 0.480 144 P HA 0.040 nan 4.420 nan 0.000 0.271 144 P C 0.399 177.798 177.300 0.165 0.000 1.216 144 P CA 0.218 63.400 63.100 0.136 0.000 0.776 144 P CB 0.418 32.188 31.700 0.117 0.000 0.881 145 G N 2.018 110.923 108.800 0.175 0.000 2.147 145 G HA2 -0.241 3.672 3.960 -0.079 0.000 0.244 145 G HA3 -0.241 3.672 3.960 -0.079 0.000 0.244 145 G C 0.523 175.582 174.900 0.265 0.000 1.005 145 G CA 0.634 45.923 45.100 0.315 0.000 0.713 145 G HN 0.745 nan 8.290 nan 0.000 0.515 146 T N -4.875 109.721 114.554 0.070 0.000 2.980 146 T HA 0.439 4.742 4.350 -0.079 0.000 0.252 146 T C 0.623 175.260 174.700 -0.105 0.000 0.962 146 T CA 1.199 63.333 62.100 0.056 0.000 0.932 146 T CB 1.129 70.053 68.868 0.093 0.000 1.188 146 T HN 0.547 nan 8.240 nan 0.000 0.500 147 T N 2.141 116.592 114.554 -0.171 0.000 2.881 147 T HA 0.562 4.865 4.350 -0.079 0.000 0.290 147 T C -1.127 173.395 174.700 -0.296 0.000 1.000 147 T CA -0.687 61.226 62.100 -0.312 0.000 0.978 147 T CB 2.597 71.136 68.868 -0.547 0.000 0.997 147 T HN 0.228 nan 8.240 nan 0.000 0.443 148 R N 2.953 123.261 120.500 -0.320 0.000 2.265 148 R HA 0.611 4.904 4.340 -0.079 0.000 0.319 148 R C -1.451 174.773 176.300 -0.126 0.000 1.006 148 R CA -0.728 55.245 56.100 -0.211 0.000 0.880 148 R CB 0.435 30.621 30.300 -0.190 0.000 1.077 148 R HN 0.428 nan 8.270 nan 0.000 0.454 149 L N 5.934 127.160 121.223 0.004 0.000 2.415 149 L HA 0.253 4.545 4.340 -0.079 0.000 0.268 149 L C -1.387 175.501 176.870 0.030 0.000 0.984 149 L CA -0.718 54.154 54.840 0.054 0.000 0.853 149 L CB 1.021 43.197 42.059 0.196 0.000 1.215 149 L HN 0.585 nan 8.230 nan 0.000 0.419 150 Y N 4.736 124.900 120.300 -0.226 0.000 2.805 150 Y HA 0.350 4.825 4.550 -0.126 0.000 0.331 150 Y C 0.057 175.782 175.900 -0.292 0.000 1.241 150 Y CA 0.982 58.744 58.100 -0.563 0.000 1.546 150 Y CB 0.346 38.540 38.460 -0.443 0.000 1.248 150 Y HN 0.798 nan 8.280 nan 0.000 0.559 151 A N 5.751 128.121 122.820 -0.750 0.000 2.513 151 A HA 0.320 4.593 4.320 -0.079 0.000 0.296 151 A C -0.034 177.462 177.584 -0.147 0.000 1.052 151 A CA -0.893 50.999 52.037 -0.242 0.000 0.714 151 A CB 0.880 19.894 19.000 0.023 0.000 1.279 151 A HN 0.764 nan 8.150 nan 0.000 0.397 152 N N 1.452 120.118 118.700 -0.056 0.000 2.188 152 N HA -0.116 4.577 4.740 -0.079 0.000 0.184 152 N C 1.905 177.499 175.510 0.140 0.000 1.018 152 N CA 1.694 54.789 53.050 0.076 0.000 0.858 152 N CB -0.194 38.396 38.487 0.172 0.000 0.989 152 N HN 0.832 nan 8.380 nan 0.000 0.426 153 A N 0.037 122.956 122.820 0.165 0.000 2.070 153 A HA -0.086 4.187 4.320 -0.079 0.000 0.220 153 A C 2.433 180.201 177.584 0.305 0.000 1.159 153 A CA 1.739 53.952 52.037 0.294 0.000 0.656 153 A CB -0.443 18.761 19.000 0.340 0.000 0.800 153 A HN 0.333 nan 8.150 nan 0.000 0.453 154 S N -0.669 115.143 115.700 0.186 0.000 2.310 154 S HA 0.016 4.438 4.470 -0.079 0.000 0.205 154 S C 1.906 176.570 174.600 0.106 0.000 1.020 154 S CA 0.854 59.134 58.200 0.135 0.000 0.939 154 S CB -0.473 62.801 63.200 0.123 0.000 0.919 154 S HN 0.470 nan 8.310 nan 0.000 0.501 155 I N 1.434 122.055 120.570 0.085 0.000 2.454 155 I HA -0.049 4.074 4.170 -0.079 0.000 0.254 155 I C 2.159 178.339 176.117 0.104 0.000 1.156 155 I CA 1.269 62.608 61.300 0.064 0.000 1.433 155 I CB -0.629 37.379 38.000 0.014 0.000 1.082 155 I HN 0.525 nan 8.210 nan 0.000 0.432 156 G N 0.800 109.649 108.800 0.081 0.000 2.421 156 G HA2 -0.300 3.612 3.960 -0.079 0.000 0.216 156 G HA3 -0.300 3.612 3.960 -0.079 0.000 0.216 156 G C 1.537 176.424 174.900 -0.022 0.000 1.171 156 G CA 0.904 46.005 45.100 0.002 0.000 0.775 156 G HN 0.386 nan 8.290 nan 0.000 0.543 157 L N -0.338 120.920 121.223 0.057 0.000 2.093 157 L HA 0.144 4.437 4.340 -0.079 0.000 0.208 157 L C 2.434 179.270 176.870 -0.056 0.000 1.085 157 L CA 1.424 56.247 54.840 -0.029 0.000 0.755 157 L CB -0.667 41.326 42.059 -0.109 0.000 0.904 157 L HN 0.220 nan 8.230 nan 0.000 0.435 158 F N 0.447 120.327 119.950 -0.117 0.000 2.091 158 F HA -0.160 4.311 4.527 -0.093 0.000 0.299 158 F C 2.156 177.879 175.800 -0.129 0.000 1.103 158 F CA 1.865 59.785 58.000 -0.133 0.000 1.228 158 F CB -1.079 37.843 39.000 -0.129 0.000 0.984 158 F HN 0.121 nan 8.300 nan 0.000 0.477 159 G N -0.441 108.220 108.800 -0.232 0.000 2.421 159 G HA2 -0.207 3.706 3.960 -0.079 0.000 0.216 159 G HA3 -0.207 3.706 3.960 -0.079 0.000 0.216 159 G C 1.831 176.593 174.900 -0.229 0.000 1.171 159 G CA 0.996 45.937 45.100 -0.266 0.000 0.775 159 G HN 0.662 nan 8.290 nan 0.000 0.543 160 A N 0.032 122.689 122.820 -0.271 0.000 1.933 160 A HA 0.122 4.395 4.320 -0.079 0.000 0.218 160 A C 2.326 179.755 177.584 -0.258 0.000 1.175 160 A CA 1.341 53.238 52.037 -0.234 0.000 0.628 160 A CB -0.299 18.538 19.000 -0.272 0.000 0.814 160 A HN 0.298 nan 8.150 nan 0.000 0.444 161 L N -0.672 120.363 121.223 -0.314 0.000 2.131 161 L HA 0.061 4.354 4.340 -0.079 0.000 0.206 161 L C 2.920 179.566 176.870 -0.373 0.000 1.087 161 L CA 1.547 56.208 54.840 -0.298 0.000 0.767 161 L CB -1.162 40.748 42.059 -0.249 0.000 0.917 161 L HN 0.376 nan 8.230 nan 0.000 0.441 162 A N -0.339 122.142 122.820 -0.565 0.000 1.978 162 A HA -0.173 4.100 4.320 -0.079 0.000 0.220 162 A C 2.121 179.515 177.584 -0.316 0.000 1.170 162 A CA 2.048 53.723 52.037 -0.603 0.000 0.636 162 A CB -0.908 17.558 19.000 -0.889 0.000 0.810 162 A HN 0.346 nan 8.150 nan 0.000 0.448 163 V N -3.506 116.272 119.914 -0.226 0.000 3.541 163 V HA 0.090 4.163 4.120 -0.079 0.000 0.267 163 V C 1.661 177.692 176.094 -0.104 0.000 1.213 163 V CA 1.375 63.585 62.300 -0.149 0.000 1.149 163 V CB -0.501 31.252 31.823 -0.117 0.000 0.822 163 V HN 0.426 nan 8.190 nan 0.000 0.462 164 K N 1.090 121.437 120.400 -0.087 0.000 2.148 164 K HA 0.001 4.274 4.320 -0.079 0.000 0.204 164 K C -0.281 176.310 176.600 -0.016 0.000 1.050 164 K CA 1.678 57.935 56.287 -0.049 0.000 0.942 164 K CB -1.042 31.437 32.500 -0.035 0.000 0.724 164 K HN 0.483 nan 8.250 nan 0.000 0.446 165 P HA -0.071 nan 4.420 nan 0.000 0.230 165 P C 0.858 178.151 177.300 -0.012 0.000 1.158 165 P CA 1.006 64.120 63.100 0.022 0.000 0.769 165 P CB 0.223 31.965 31.700 0.070 0.000 0.807 166 S N -2.176 113.502 115.700 -0.037 0.000 2.478 166 S HA 0.221 4.643 4.470 -0.079 0.000 0.222 166 S C 1.805 176.375 174.600 -0.050 0.000 1.008 166 S CA 0.599 58.770 58.200 -0.050 0.000 0.928 166 S CB -1.005 62.148 63.200 -0.078 0.000 0.781 166 S HN 0.227 nan 8.310 nan 0.000 0.518 167 G N 1.089 109.860 108.800 -0.049 0.000 2.159 167 G HA2 -0.244 3.669 3.960 -0.079 0.000 0.256 167 G HA3 -0.244 3.669 3.960 -0.079 0.000 0.256 167 G C -0.045 174.821 174.900 -0.057 0.000 0.977 167 G CA 0.464 45.536 45.100 -0.046 0.000 0.652 167 G HN 0.525 nan 8.290 nan 0.000 0.531 168 M N 1.521 121.078 119.600 -0.073 0.000 2.423 168 M HA 0.531 4.964 4.480 -0.079 0.000 0.335 168 M C 1.162 177.409 176.300 -0.089 0.000 1.177 168 M CA -0.272 54.977 55.300 -0.085 0.000 1.038 168 M CB 1.755 34.288 32.600 -0.112 0.000 1.641 168 M HN 0.442 nan 8.290 nan 0.000 0.455 169 S N 0.786 116.440 115.700 -0.078 0.000 2.580 169 S HA -0.008 4.415 4.470 -0.079 0.000 0.266 169 S C 0.722 175.275 174.600 -0.078 0.000 1.354 169 S CA -0.248 57.916 58.200 -0.058 0.000 1.008 169 S CB 0.382 63.555 63.200 -0.044 0.000 0.898 169 S HN 0.756 nan 8.310 nan 0.000 0.555 170 Y N 0.877 121.095 120.300 -0.137 0.000 2.181 170 Y HA -0.117 4.377 4.550 -0.094 0.000 0.288 170 Y C 2.600 178.401 175.900 -0.165 0.000 1.146 170 Y CA 2.231 60.235 58.100 -0.160 0.000 1.164 170 Y CB -0.365 37.998 38.460 -0.162 0.000 0.982 170 Y HN 0.978 nan 8.280 nan 0.000 0.515 171 E N -0.356 119.822 120.200 -0.037 0.000 2.077 171 E HA -0.297 4.006 4.350 -0.079 0.000 0.193 171 E C 2.313 178.794 176.600 -0.198 0.000 0.989 171 E CA 1.379 57.722 56.400 -0.095 0.000 0.800 171 E CB -0.273 29.423 29.700 -0.008 0.000 0.746 171 E HN 0.637 nan 8.360 nan 0.000 0.452 172 Q N 0.001 119.702 119.800 -0.164 0.000 2.079 172 Q HA -0.158 4.135 4.340 -0.079 0.000 0.200 172 Q C 2.074 177.930 176.000 -0.240 0.000 0.974 172 Q CA 1.258 56.964 55.803 -0.163 0.000 0.840 172 Q CB -0.138 28.533 28.738 -0.112 0.000 0.898 172 Q HN 0.351 nan 8.270 nan 0.000 0.430 173 A N 1.200 123.837 122.820 -0.306 0.000 1.851 173 A HA -0.215 4.057 4.320 -0.079 0.000 0.216 173 A C 2.045 179.353 177.584 -0.460 0.000 1.195 173 A CA 1.525 53.353 52.037 -0.348 0.000 0.622 173 A CB -0.882 17.893 19.000 -0.374 0.000 0.831 173 A HN 0.519 nan 8.150 nan 0.000 0.444 174 I N -0.420 119.729 120.570 -0.701 0.000 2.208 174 I HA -0.229 3.894 4.170 -0.079 0.000 0.245 174 I C 2.434 177.972 176.117 -0.966 0.000 1.097 174 I CA 2.321 63.095 61.300 -0.876 0.000 1.363 174 I CB -0.184 37.159 38.000 -1.095 0.000 1.051 174 I HN 0.350 nan 8.210 nan 0.000 0.413 175 T N -0.486 113.655 114.554 -0.688 0.000 2.701 175 T HA -0.145 4.158 4.350 -0.079 0.000 0.263 175 T C 1.783 176.341 174.700 -0.237 0.000 1.040 175 T CA 2.093 63.956 62.100 -0.396 0.000 1.147 175 T CB -0.515 68.267 68.868 -0.143 0.000 0.865 175 T HN 0.374 nan 8.240 nan 0.000 0.426 176 T N 1.944 116.373 114.554 -0.208 0.000 2.821 176 T HA -0.004 4.298 4.350 -0.079 0.000 0.267 176 T C 2.012 176.636 174.700 -0.126 0.000 1.046 176 T CA 0.792 62.810 62.100 -0.136 0.000 1.139 176 T CB -0.027 68.769 68.868 -0.119 0.000 0.871 176 T HN 0.307 nan 8.240 nan 0.000 0.454 177 R N -0.089 120.308 120.500 -0.173 0.000 2.237 177 R HA 0.279 4.572 4.340 -0.079 0.000 0.195 177 R C 1.659 177.913 176.300 -0.076 0.000 0.956 177 R CA 0.420 56.450 56.100 -0.116 0.000 1.029 177 R CB 0.170 30.393 30.300 -0.128 0.000 0.972 177 R HN 0.289 nan 8.270 nan 0.000 0.493 178 V N -0.321 119.511 119.914 -0.137 0.000 3.001 178 V HA 0.009 4.082 4.120 -0.079 0.000 0.228 178 V C 1.665 177.833 176.094 0.124 0.000 1.204 178 V CA 0.550 62.847 62.300 -0.004 0.000 1.247 178 V CB -0.333 31.472 31.823 -0.029 0.000 1.093 178 V HN -0.072 nan 8.190 nan 0.000 0.504 179 F N 1.448 121.353 119.950 -0.076 0.000 2.075 179 F HA -0.080 4.385 4.527 -0.104 0.000 0.297 179 F C 2.383 178.115 175.800 -0.114 0.000 1.113 179 F CA 1.177 59.094 58.000 -0.138 0.000 1.218 179 F CB -1.123 37.709 39.000 -0.279 0.000 0.984 179 F HN 0.110 nan 8.300 nan 0.000 0.472 180 K N -0.002 120.446 120.400 0.079 0.000 2.001 180 K HA -0.075 4.198 4.320 -0.079 0.000 0.208 180 K C -0.227 176.383 176.600 0.016 0.000 1.048 180 K CA 1.071 57.363 56.287 0.009 0.000 0.932 180 K CB -2.248 30.238 32.500 -0.023 0.000 0.715 180 K HN 0.183 nan 8.250 nan 0.000 0.437 181 P HA -0.104 nan 4.420 nan 0.000 0.218 181 P C 0.845 178.175 177.300 0.050 0.000 1.146 181 P CA 1.088 64.205 63.100 0.029 0.000 0.813 181 P CB 0.056 31.774 31.700 0.031 0.000 0.778 182 L N -1.958 119.318 121.223 0.089 0.000 2.607 182 L HA 0.172 4.465 4.340 -0.079 0.000 0.228 182 L C 0.355 177.271 176.870 0.076 0.000 1.123 182 L CA 0.001 54.909 54.840 0.114 0.000 0.890 182 L CB -0.602 41.594 42.059 0.229 0.000 1.103 182 L HN -0.096 nan 8.230 nan 0.000 0.468 183 K N 0.704 121.123 120.400 0.031 0.000 3.071 183 K HA -0.169 4.104 4.320 -0.079 0.000 0.265 183 K C -0.240 176.330 176.600 -0.050 0.000 1.060 183 K CA 0.482 56.759 56.287 -0.015 0.000 0.767 183 K CB -1.647 30.849 32.500 -0.007 0.000 1.241 183 K HN 0.287 nan 8.250 nan 0.000 0.486 184 L N 0.990 122.172 121.223 -0.069 0.000 2.466 184 L HA 0.106 4.398 4.340 -0.079 0.000 0.248 184 L C 0.703 177.328 176.870 -0.409 0.000 1.240 184 L CA -0.387 54.337 54.840 -0.194 0.000 1.180 184 L CB 0.272 42.222 42.059 -0.181 0.000 1.413 184 L HN 0.155 nan 8.230 nan 0.000 0.406 185 D N -0.566 119.574 120.400 -0.433 0.000 2.363 185 D HA -0.051 4.542 4.640 -0.079 0.000 0.220 185 D C 1.006 176.556 176.300 -1.251 0.000 0.994 185 D CA 0.923 54.505 54.000 -0.697 0.000 0.890 185 D CB 0.376 40.840 40.800 -0.560 0.000 0.906 185 D HN 0.511 nan 8.370 nan 0.000 0.530 186 H N -0.122 118.522 119.070 -0.710 0.000 2.492 186 H HA 0.238 4.745 4.556 -0.082 0.000 0.264 186 H C -0.180 174.474 175.328 -1.123 0.000 1.150 186 H CA -0.000 55.572 56.048 -0.793 0.000 0.962 186 H CB 0.397 29.999 29.762 -0.267 0.000 1.766 186 H HN -0.154 nan 8.280 nan 0.000 0.589 187 T N 1.456 115.114 114.554 -1.494 0.000 2.786 187 T HA 0.330 4.633 4.350 -0.079 0.000 0.283 187 T C -0.665 173.131 174.700 -1.505 0.000 0.992 187 T CA -0.605 60.647 62.100 -1.414 0.000 0.954 187 T CB 0.982 68.919 68.868 -1.551 0.000 0.934 187 T HN 0.246 nan 8.240 nan 0.000 0.440 188 W N 2.111 123.062 121.300 -0.583 0.000 3.029 188 W HA 0.604 5.217 4.660 -0.079 0.000 0.339 188 W C 0.418 176.807 176.519 -0.218 0.000 1.198 188 W CA -1.089 56.069 57.345 -0.312 0.000 1.148 188 W CB 0.472 29.774 29.460 -0.262 0.000 1.451 188 W HN 0.269 nan 8.180 nan 0.000 0.564 189 I N 1.295 121.970 120.570 0.175 0.000 2.628 189 I HA 0.025 4.147 4.170 -0.079 0.000 0.255 189 I C -0.273 175.843 176.117 -0.002 0.000 1.119 189 I CA 0.663 62.001 61.300 0.063 0.000 1.448 189 I CB -0.889 37.160 38.000 0.080 0.000 1.133 189 I HN 0.439 nan 8.210 nan 0.000 0.438 190 N N 0.165 118.869 118.700 0.008 0.000 2.442 190 N HA 0.258 4.951 4.740 -0.079 0.000 0.274 190 N C -0.571 174.805 175.510 -0.224 0.000 1.002 190 N CA -0.179 52.816 53.050 -0.092 0.000 0.910 190 N CB 2.911 41.357 38.487 -0.068 0.000 1.244 190 N HN -0.139 nan 8.380 nan 0.000 0.492 191 V N 3.603 123.287 119.914 -0.383 0.000 2.521 191 V HA 0.301 4.374 4.120 -0.079 0.000 0.286 191 V C -2.058 173.660 176.094 -0.626 0.000 1.034 191 V CA -1.363 60.501 62.300 -0.727 0.000 1.045 191 V CB 0.298 31.642 31.823 -0.800 0.000 0.974 191 V HN 0.581 nan 8.190 nan 0.000 0.480 192 P HA 0.161 nan 4.420 nan 0.000 0.267 192 P C 0.262 177.344 177.300 -0.362 0.000 1.200 192 P CA -0.240 62.523 63.100 -0.562 0.000 0.772 192 P CB 0.431 31.713 31.700 -0.697 0.000 0.855 193 K N 2.121 122.390 120.400 -0.220 0.000 2.097 193 K HA -0.084 4.189 4.320 -0.079 0.000 0.205 193 K C 1.830 178.350 176.600 -0.134 0.000 1.050 193 K CA 1.694 57.899 56.287 -0.137 0.000 0.938 193 K CB -1.288 31.160 32.500 -0.087 0.000 0.718 193 K HN 0.498 nan 8.250 nan 0.000 0.442 194 A N 1.369 124.101 122.820 -0.147 0.000 2.125 194 A HA -0.125 4.147 4.320 -0.079 0.000 0.219 194 A C 1.464 178.977 177.584 -0.119 0.000 1.156 194 A CA 1.305 53.275 52.037 -0.112 0.000 0.671 194 A CB -0.068 18.879 19.000 -0.089 0.000 0.794 194 A HN 0.183 nan 8.150 nan 0.000 0.459 195 E N -1.188 118.904 120.200 -0.181 0.000 2.562 195 E HA 0.048 4.351 4.350 -0.079 0.000 0.214 195 E C 1.105 177.623 176.600 -0.138 0.000 0.979 195 E CA -0.049 56.273 56.400 -0.131 0.000 1.002 195 E CB 0.154 29.754 29.700 -0.168 0.000 1.048 195 E HN 0.760 nan 8.360 nan 0.000 0.488 196 E N 1.270 121.386 120.200 -0.139 0.000 2.171 196 E HA -0.194 4.108 4.350 -0.079 0.000 0.197 196 E C 1.905 178.478 176.600 -0.045 0.000 0.997 196 E CA 1.048 57.411 56.400 -0.061 0.000 0.810 196 E CB 0.106 29.780 29.700 -0.043 0.000 0.738 196 E HN 0.207 nan 8.360 nan 0.000 0.467 197 A N 0.056 122.796 122.820 -0.133 0.000 1.978 197 A HA -0.223 4.049 4.320 -0.079 0.000 0.220 197 A C 1.479 178.971 177.584 -0.153 0.000 1.170 197 A CA 1.737 53.678 52.037 -0.160 0.000 0.636 197 A CB -0.784 18.069 19.000 -0.246 0.000 0.810 197 A HN 0.388 nan 8.150 nan 0.000 0.448 198 H N -3.698 115.381 119.070 0.016 0.000 2.551 198 H HA 0.065 4.573 4.556 -0.079 0.000 0.266 198 H C -0.000 175.339 175.328 0.018 0.000 0.977 198 H CA 0.104 56.157 56.048 0.008 0.000 1.163 198 H CB 0.092 29.852 29.762 -0.003 0.000 1.381 198 H HN 0.463 nan 8.280 nan 0.000 0.581 199 Y N 2.485 122.733 120.300 -0.086 0.000 2.486 199 Y HA 0.372 4.874 4.550 -0.079 0.000 0.348 199 Y C 0.171 175.939 175.900 -0.219 0.000 1.000 199 Y CA -2.023 55.956 58.100 -0.202 0.000 1.253 199 Y CB -0.808 37.458 38.460 -0.324 0.000 1.140 199 Y HN 0.112 nan 8.280 nan 0.000 0.526 200 A N 5.908 128.761 122.820 0.054 0.000 2.448 200 A HA 0.150 4.422 4.320 -0.079 0.000 0.239 200 A C -0.687 176.874 177.584 -0.037 0.000 1.080 200 A CA -0.207 51.823 52.037 -0.011 0.000 0.779 200 A CB 0.160 19.074 19.000 -0.143 0.000 1.026 200 A HN 0.862 nan 8.150 nan 0.000 0.499 201 W N 0.082 121.405 121.300 0.038 0.000 2.438 201 W HA 0.513 5.128 4.660 -0.075 0.000 0.324 201 W C 0.792 177.039 176.519 -0.452 0.000 1.119 201 W CA 0.344 57.551 57.345 -0.231 0.000 1.221 201 W CB 1.395 30.539 29.460 -0.527 0.000 1.253 201 W HN 0.941 nan 8.180 nan 0.000 0.555 202 G N 1.205 109.794 108.800 -0.353 0.000 2.476 202 G HA2 0.494 4.407 3.960 -0.079 0.000 0.286 202 G HA3 0.494 4.407 3.960 -0.079 0.000 0.286 202 G C -2.109 172.506 174.900 -0.475 0.000 1.177 202 G CA -0.463 44.186 45.100 -0.751 0.000 0.870 202 G HN 0.414 nan 8.290 nan 0.000 0.528 203 Y N -0.026 120.188 120.300 -0.143 0.000 2.331 203 Y HA 0.470 4.971 4.550 -0.081 0.000 0.334 203 Y C 1.101 176.995 175.900 -0.011 0.000 0.960 203 Y CA -0.805 57.267 58.100 -0.046 0.000 1.130 203 Y CB 2.506 40.945 38.460 -0.036 0.000 1.164 203 Y HN 0.646 nan 8.280 nan 0.000 0.458 204 R N 0.790 121.354 120.500 0.107 0.000 2.009 204 R HA 0.189 4.482 4.340 -0.079 0.000 0.206 204 R C -0.525 175.823 176.300 0.080 0.000 1.356 204 R CA 0.436 56.588 56.100 0.086 0.000 1.088 204 R CB 0.452 30.789 30.300 0.061 0.000 0.959 204 R HN 0.615 nan 8.270 nan 0.000 0.469 205 D N 0.060 120.498 120.400 0.062 0.000 2.683 205 D HA 0.200 4.792 4.640 -0.079 0.000 0.309 205 D C -0.197 176.136 176.300 0.056 0.000 1.238 205 D CA 0.363 54.394 54.000 0.051 0.000 0.936 205 D CB 1.141 41.960 40.800 0.032 0.000 1.001 205 D HN 0.733 nan 8.370 nan 0.000 0.505 206 G N 1.545 110.398 108.800 0.089 0.000 2.175 206 G HA2 -0.310 3.602 3.960 -0.079 0.000 0.265 206 G HA3 -0.310 3.602 3.960 -0.079 0.000 0.265 206 G C 0.476 175.466 174.900 0.150 0.000 0.979 206 G CA 0.421 45.583 45.100 0.104 0.000 0.663 206 G HN 0.211 nan 8.290 nan 0.000 0.533 207 K N 0.603 121.065 120.400 0.102 0.000 2.159 207 K HA 0.766 5.039 4.320 -0.079 0.000 0.266 207 K C 0.388 176.913 176.600 -0.125 0.000 0.975 207 K CA 0.071 56.359 56.287 0.001 0.000 0.865 207 K CB 1.586 34.067 32.500 -0.031 0.000 1.087 207 K HN 0.599 nan 8.250 nan 0.000 0.446 208 A N 2.609 125.240 122.820 -0.316 0.000 2.354 208 A HA 0.500 4.773 4.320 -0.079 0.000 0.281 208 A C -0.238 177.163 177.584 -0.305 0.000 1.174 208 A CA -0.401 51.270 52.037 -0.610 0.000 0.828 208 A CB -0.309 18.163 19.000 -0.880 0.000 1.099 208 A HN 0.536 nan 8.150 nan 0.000 0.516 209 V N 0.772 120.613 119.914 -0.121 0.000 3.007 209 V HA 0.747 4.819 4.120 -0.079 0.000 0.311 209 V C -0.850 175.322 176.094 0.130 0.000 1.120 209 V CA -0.973 61.349 62.300 0.036 0.000 0.980 209 V CB 1.812 33.663 31.823 0.045 0.000 1.033 209 V HN 0.853 nan 8.190 nan 0.000 0.429 210 H N 0.672 119.857 119.070 0.192 0.000 2.771 210 H HA 0.648 5.158 4.556 -0.078 0.000 0.367 210 H C -0.264 175.156 175.328 0.154 0.000 1.172 210 H CA -0.825 55.294 56.048 0.118 0.000 1.186 210 H CB 2.236 31.938 29.762 -0.099 0.000 1.790 210 H HN 0.782 nan 8.280 nan 0.000 0.556 211 V N 1.810 121.914 119.914 0.316 0.000 2.694 211 V HA 0.006 4.078 4.120 -0.079 0.000 0.306 211 V C 0.148 176.362 176.094 0.200 0.000 1.054 211 V CA 0.381 62.825 62.300 0.239 0.000 1.161 211 V CB 0.415 32.383 31.823 0.243 0.000 0.916 211 V HN 0.768 nan 8.190 nan 0.000 0.490 212 S N 7.415 123.215 115.700 0.167 0.000 2.584 212 S HA 0.452 4.874 4.470 -0.079 0.000 0.273 212 S C -2.212 172.470 174.600 0.138 0.000 1.311 212 S CA -0.686 57.593 58.200 0.132 0.000 1.034 212 S CB 1.136 64.394 63.200 0.097 0.000 0.939 212 S HN 0.810 nan 8.310 nan 0.000 0.513 213 P HA 0.367 nan 4.420 nan 0.000 0.266 213 P C -0.175 177.181 177.300 0.093 0.000 1.193 213 P CA 0.069 63.216 63.100 0.079 0.000 0.770 213 P CB 0.354 32.083 31.700 0.048 0.000 0.836 214 G N 1.328 110.181 108.800 0.088 0.000 2.673 214 G HA2 0.485 4.397 3.960 -0.079 0.000 0.292 214 G HA3 0.485 4.397 3.960 -0.079 0.000 0.292 214 G C -1.282 173.643 174.900 0.042 0.000 1.450 214 G CA -0.662 44.501 45.100 0.105 0.000 0.837 214 G HN 0.225 nan 8.290 nan 0.000 0.505 215 M N 1.603 121.222 119.600 0.031 0.000 2.219 215 M HA 0.276 4.708 4.480 -0.079 0.000 0.353 215 M C 1.149 177.444 176.300 -0.008 0.000 1.304 215 M CA -0.044 55.258 55.300 0.003 0.000 1.115 215 M CB -0.008 32.601 32.600 0.014 0.000 1.664 215 M HN 0.715 nan 8.290 nan 0.000 0.459 216 L N 1.446 122.622 121.223 -0.079 0.000 4.291 216 L HA -0.350 3.943 4.340 -0.079 0.000 0.413 216 L C 0.984 177.656 176.870 -0.330 0.000 1.162 216 L CA 0.564 55.310 54.840 -0.156 0.000 0.961 216 L CB -2.004 40.032 42.059 -0.037 0.000 2.095 216 L HN 0.688 nan 8.230 nan 0.000 0.838 217 D N 0.783 120.920 120.400 -0.439 0.000 2.084 217 D HA -0.161 4.432 4.640 -0.079 0.000 0.194 217 D C 2.005 177.828 176.300 -0.794 0.000 0.990 217 D CA 1.576 54.955 54.000 -1.036 0.000 0.826 217 D CB -0.223 40.228 40.800 -0.583 0.000 0.971 217 D HN 0.426 nan 8.370 nan 0.000 0.453 218 A N 0.749 123.303 122.820 -0.444 0.000 1.917 218 A HA -0.261 4.011 4.320 -0.079 0.000 0.219 218 A C 2.158 179.491 177.584 -0.418 0.000 1.182 218 A CA 2.212 54.062 52.037 -0.311 0.000 0.633 218 A CB -0.824 18.089 19.000 -0.145 0.000 0.819 218 A HN 0.257 nan 8.150 nan 0.000 0.448 219 E N -0.474 119.333 120.200 -0.656 0.000 2.106 219 E HA 0.052 4.355 4.350 -0.079 0.000 0.192 219 E C 2.043 178.471 176.600 -0.285 0.000 0.984 219 E CA 1.454 57.428 56.400 -0.709 0.000 0.806 219 E CB -0.253 29.036 29.700 -0.685 0.000 0.750 219 E HN 0.612 nan 8.360 nan 0.000 0.458 220 A N -0.636 122.036 122.820 -0.247 0.000 2.085 220 A HA 0.102 4.375 4.320 -0.079 0.000 0.208 220 A C 0.830 178.487 177.584 0.121 0.000 1.191 220 A CA 0.619 52.645 52.037 -0.018 0.000 0.799 220 A CB 0.048 19.124 19.000 0.126 0.000 0.877 220 A HN 0.427 nan 8.150 nan 0.000 0.473 221 Y N -4.610 115.700 120.300 0.018 0.000 3.022 221 Y HA 0.438 4.928 4.550 -0.099 0.000 0.275 221 Y C 0.956 176.865 175.900 0.015 0.000 1.071 221 Y CA -0.387 57.739 58.100 0.043 0.000 1.276 221 Y CB -0.439 38.057 38.460 0.061 0.000 1.325 221 Y HN -0.013 nan 8.280 nan 0.000 0.594 222 G N 0.798 109.489 108.800 -0.180 0.000 3.088 222 G HA2 0.309 4.221 3.960 -0.079 0.000 0.217 222 G HA3 0.309 4.221 3.960 -0.079 0.000 0.217 222 G C -0.063 174.780 174.900 -0.094 0.000 1.159 222 G CA 0.156 45.173 45.100 -0.138 0.000 0.760 222 G HN 0.113 nan 8.290 nan 0.000 0.550 223 V N 0.548 120.403 119.914 -0.097 0.000 2.686 223 V HA 0.355 4.428 4.120 -0.079 0.000 0.295 223 V C -0.183 175.779 176.094 -0.220 0.000 1.055 223 V CA -0.125 62.058 62.300 -0.195 0.000 1.050 223 V CB 1.367 32.968 31.823 -0.370 0.000 0.984 223 V HN 0.181 nan 8.190 nan 0.000 0.482 224 K N 2.660 122.898 120.400 -0.271 0.000 2.397 224 K HA 0.781 5.054 4.320 -0.079 0.000 0.253 224 K C -0.485 175.957 176.600 -0.264 0.000 0.932 224 K CA -0.425 55.700 56.287 -0.271 0.000 0.795 224 K CB 2.235 34.498 32.500 -0.393 0.000 1.159 224 K HN 0.865 nan 8.250 nan 0.000 0.424 225 T N -0.328 114.115 114.554 -0.184 0.000 2.681 225 T HA 0.427 4.730 4.350 -0.079 0.000 0.296 225 T C -0.956 173.739 174.700 -0.009 0.000 1.157 225 T CA -1.190 60.803 62.100 -0.178 0.000 1.025 225 T CB 0.917 69.656 68.868 -0.215 0.000 1.441 225 T HN 0.661 nan 8.240 nan 0.000 0.504 226 N N -1.207 117.483 118.700 -0.017 0.000 2.741 226 N HA 0.524 5.217 4.740 -0.079 0.000 0.310 226 N C 0.659 176.186 175.510 0.028 0.000 1.295 226 N CA -0.990 52.095 53.050 0.058 0.000 0.893 226 N CB 0.351 38.814 38.487 -0.041 0.000 1.247 226 N HN 0.288 nan 8.380 nan 0.000 0.596 227 V N -0.201 119.708 119.914 -0.009 0.000 2.871 227 V HA -0.142 3.931 4.120 -0.079 0.000 0.256 227 V C 1.901 177.901 176.094 -0.156 0.000 1.082 227 V CA 1.637 63.899 62.300 -0.063 0.000 1.105 227 V CB -0.868 30.916 31.823 -0.066 0.000 0.713 227 V HN 0.612 nan 8.190 nan 0.000 0.473 228 Q N -0.481 119.146 119.800 -0.290 0.000 1.993 228 Q HA -0.221 4.072 4.340 -0.079 0.000 0.202 228 Q C 1.989 177.988 176.000 -0.002 0.000 0.984 228 Q CA 2.048 57.733 55.803 -0.197 0.000 0.837 228 Q CB -0.289 28.323 28.738 -0.210 0.000 0.902 228 Q HN 0.537 nan 8.270 nan 0.000 0.423 229 D N 0.100 120.484 120.400 -0.026 0.000 2.144 229 D HA -0.137 4.455 4.640 -0.079 0.000 0.199 229 D C 1.698 178.061 176.300 0.105 0.000 0.984 229 D CA 0.981 54.985 54.000 0.006 0.000 0.834 229 D CB -0.061 40.672 40.800 -0.111 0.000 0.955 229 D HN 0.079 nan 8.370 nan 0.000 0.465 230 M N 0.586 120.248 119.600 0.104 0.000 2.132 230 M HA 0.021 4.453 4.480 -0.079 0.000 0.263 230 M C 1.938 178.376 176.300 0.229 0.000 1.065 230 M CA 0.869 56.293 55.300 0.208 0.000 1.122 230 M CB -0.775 31.922 32.600 0.162 0.000 1.365 230 M HN 0.010 nan 8.290 nan 0.000 0.411 231 A N -1.713 121.215 122.820 0.180 0.000 1.902 231 A HA -0.127 4.146 4.320 -0.079 0.000 0.217 231 A C 2.384 180.034 177.584 0.110 0.000 1.181 231 A CA 2.137 54.275 52.037 0.167 0.000 0.623 231 A CB -1.023 18.144 19.000 0.279 0.000 0.818 231 A HN 0.490 nan 8.150 nan 0.000 0.443 232 S N -1.767 114.013 115.700 0.134 0.000 2.382 232 S HA -0.157 4.266 4.470 -0.079 0.000 0.228 232 S C 1.572 176.257 174.600 0.142 0.000 1.027 232 S CA 0.933 59.196 58.200 0.106 0.000 0.991 232 S CB -0.410 62.858 63.200 0.114 0.000 0.823 232 S HN 0.779 nan 8.310 nan 0.000 0.469 233 W N 1.871 123.174 121.300 0.005 0.000 2.358 233 W HA -0.157 4.394 4.660 -0.182 0.000 0.303 233 W C 1.620 178.068 176.519 -0.118 0.000 1.208 233 W CA 0.999 58.341 57.345 -0.005 0.000 1.274 233 W CB -0.243 29.262 29.460 0.075 0.000 1.138 233 W HN 0.090 nan 8.180 nan 0.000 0.515 234 V N 1.827 121.657 119.914 -0.140 0.000 2.270 234 V HA -0.365 3.707 4.120 -0.079 0.000 0.245 234 V C 2.454 178.174 176.094 -0.623 0.000 1.043 234 V CA 2.319 64.306 62.300 -0.522 0.000 1.014 234 V CB -0.968 30.679 31.823 -0.293 0.000 0.645 234 V HN 0.159 nan 8.190 nan 0.000 0.447 235 M N -0.597 118.808 119.600 -0.326 0.000 2.149 235 M HA -0.171 4.262 4.480 -0.079 0.000 0.261 235 M C 2.175 178.306 176.300 -0.282 0.000 1.064 235 M CA 1.586 56.725 55.300 -0.270 0.000 1.102 235 M CB -0.489 32.026 32.600 -0.142 0.000 1.369 235 M HN 0.244 nan 8.290 nan 0.000 0.408 236 V N 0.575 120.331 119.914 -0.263 0.000 2.307 236 V HA -0.243 3.830 4.120 -0.079 0.000 0.245 236 V C 1.979 177.855 176.094 -0.364 0.000 1.045 236 V CA 1.678 63.837 62.300 -0.235 0.000 1.024 236 V CB -0.780 30.968 31.823 -0.125 0.000 0.651 236 V HN 0.502 nan 8.190 nan 0.000 0.449 237 N N -0.469 117.869 118.700 -0.605 0.000 2.244 237 N HA -0.117 4.576 4.740 -0.079 0.000 0.183 237 N C 1.840 177.036 175.510 -0.523 0.000 1.016 237 N CA 1.352 54.016 53.050 -0.643 0.000 0.866 237 N CB -0.129 37.808 38.487 -0.916 0.000 0.980 237 N HN 0.423 nan 8.380 nan 0.000 0.430 238 M N 0.187 119.399 119.600 -0.647 0.000 2.229 238 M HA -0.048 4.384 4.480 -0.079 0.000 0.264 238 M C 0.061 176.256 176.300 -0.176 0.000 1.063 238 M CA 1.235 56.337 55.300 -0.331 0.000 1.114 238 M CB 0.404 32.791 32.600 -0.354 0.000 1.387 238 M HN -0.222 nan 8.290 nan 0.000 0.420 239 K N -0.745 119.537 120.400 -0.197 0.000 2.895 239 K HA 0.265 4.538 4.320 -0.079 0.000 0.191 239 K C -2.337 174.191 176.600 -0.121 0.000 1.117 239 K CA -1.324 54.884 56.287 -0.132 0.000 0.988 239 K CB 1.043 33.474 32.500 -0.116 0.000 1.181 239 K HN -0.082 nan 8.250 nan 0.000 0.598 240 P HA -0.156 nan 4.420 nan 0.000 0.217 240 P C 0.715 177.979 177.300 -0.061 0.000 1.150 240 P CA 1.111 64.158 63.100 -0.088 0.000 0.832 240 P CB 0.217 31.871 31.700 -0.076 0.000 0.787 241 D N -0.217 120.149 120.400 -0.056 0.000 2.389 241 D HA -0.115 4.477 4.640 -0.079 0.000 0.221 241 D C 1.147 177.422 176.300 -0.042 0.000 0.974 241 D CA 1.120 55.094 54.000 -0.044 0.000 0.923 241 D CB -0.643 40.131 40.800 -0.043 0.000 0.892 241 D HN 0.280 nan 8.370 nan 0.000 0.518 242 S N -0.463 115.207 115.700 -0.050 0.000 2.660 242 S HA 0.104 4.527 4.470 -0.079 0.000 0.223 242 S C 1.131 175.710 174.600 -0.034 0.000 0.963 242 S CA -0.362 57.811 58.200 -0.044 0.000 0.932 242 S CB -0.173 62.994 63.200 -0.055 0.000 0.775 242 S HN 0.204 nan 8.310 nan 0.000 0.531 243 L N 0.121 121.326 121.223 -0.030 0.000 2.902 243 L HA 0.436 4.729 4.340 -0.079 0.000 0.229 243 L C 1.139 178.001 176.870 -0.014 0.000 1.324 243 L CA -0.854 53.975 54.840 -0.019 0.000 1.230 243 L CB 0.352 42.402 42.059 -0.015 0.000 2.134 243 L HN 0.087 nan 8.230 nan 0.000 0.567 244 Q N 0.296 120.092 119.800 -0.008 0.000 2.157 244 Q HA 0.090 4.382 4.340 -0.079 0.000 0.229 244 Q C -1.006 174.991 176.000 -0.005 0.000 0.827 244 Q CA -0.059 55.740 55.803 -0.007 0.000 1.055 244 Q CB 0.470 29.206 28.738 -0.004 0.000 1.157 244 Q HN 0.527 nan 8.270 nan 0.000 0.482 245 D N 2.271 122.668 120.400 -0.005 0.000 2.927 245 D HA -0.162 4.430 4.640 -0.079 0.000 0.236 245 D C -0.739 175.561 176.300 0.000 0.000 1.163 245 D CA 0.767 54.765 54.000 -0.003 0.000 0.801 245 D CB -0.922 39.875 40.800 -0.005 0.000 0.975 245 D HN 0.642 nan 8.370 nan 0.000 0.413 246 N N -1.563 117.139 118.700 0.003 0.000 3.167 246 N HA 0.347 5.040 4.740 -0.079 0.000 0.323 246 N C 0.748 176.264 175.510 0.011 0.000 1.478 246 N CA -0.452 52.601 53.050 0.006 0.000 0.753 246 N CB 0.766 39.256 38.487 0.005 0.000 1.721 246 N HN -0.050 nan 8.380 nan 0.000 0.618 247 S N -0.574 115.134 115.700 0.012 0.000 2.400 247 S HA -0.139 4.283 4.470 -0.079 0.000 0.232 247 S C 1.603 176.220 174.600 0.028 0.000 1.025 247 S CA 1.004 59.215 58.200 0.018 0.000 0.993 247 S CB -0.516 62.691 63.200 0.011 0.000 0.808 247 S HN 0.480 nan 8.310 nan 0.000 0.478 248 L N 1.891 123.131 121.223 0.029 0.000 2.095 248 L HA 0.199 4.492 4.340 -0.079 0.000 0.204 248 L C 2.430 179.325 176.870 0.042 0.000 1.080 248 L CA 1.565 56.432 54.840 0.046 0.000 0.759 248 L CB -0.879 41.210 42.059 0.050 0.000 0.914 248 L HN 0.199 nan 8.230 nan 0.000 0.439 249 R N 0.044 120.558 120.500 0.023 0.000 2.080 249 R HA -0.210 4.083 4.340 -0.079 0.000 0.236 249 R C 2.261 178.570 176.300 0.015 0.000 1.137 249 R CA 2.016 58.121 56.100 0.008 0.000 0.943 249 R CB -0.168 30.132 30.300 -0.000 0.000 0.846 249 R HN 0.391 nan 8.270 nan 0.000 0.431 250 K N -0.990 119.424 120.400 0.023 0.000 2.063 250 K HA -0.102 4.171 4.320 -0.079 0.000 0.208 250 K C 2.097 178.729 176.600 0.053 0.000 1.048 250 K CA 1.363 57.668 56.287 0.031 0.000 0.928 250 K CB -0.375 32.144 32.500 0.030 0.000 0.713 250 K HN 0.352 nan 8.250 nan 0.000 0.442 251 G N 1.556 110.394 108.800 0.064 0.000 2.446 251 G HA2 -0.248 3.664 3.960 -0.079 0.000 0.217 251 G HA3 -0.248 3.664 3.960 -0.079 0.000 0.217 251 G C 1.484 176.450 174.900 0.111 0.000 1.168 251 G CA 0.757 45.914 45.100 0.095 0.000 0.771 251 G HN 0.104 nan 8.290 nan 0.000 0.551 252 L N 0.344 121.612 121.223 0.076 0.000 2.083 252 L HA -0.087 4.205 4.340 -0.079 0.000 0.209 252 L C 3.178 180.080 176.870 0.052 0.000 1.083 252 L CA 1.538 56.406 54.840 0.048 0.000 0.752 252 L CB -0.673 41.364 42.059 -0.036 0.000 0.899 252 L HN 0.170 nan 8.230 nan 0.000 0.433 253 T N 0.041 114.617 114.554 0.037 0.000 2.777 253 T HA -0.111 4.192 4.350 -0.079 0.000 0.266 253 T C 1.962 176.700 174.700 0.064 0.000 1.040 253 T CA 1.098 63.213 62.100 0.026 0.000 1.141 253 T CB -0.180 68.692 68.868 0.007 0.000 0.868 253 T HN 0.185 nan 8.240 nan 0.000 0.444 254 L N 0.791 122.077 121.223 0.106 0.000 2.046 254 L HA -0.072 4.220 4.340 -0.079 0.000 0.208 254 L C 2.979 180.013 176.870 0.274 0.000 1.077 254 L CA 1.203 56.150 54.840 0.178 0.000 0.747 254 L CB -0.621 41.550 42.059 0.188 0.000 0.896 254 L HN 0.233 nan 8.230 nan 0.000 0.432 255 A N -1.014 121.961 122.820 0.258 0.000 2.067 255 A HA -0.186 4.086 4.320 -0.079 0.000 0.219 255 A C 2.051 179.884 177.584 0.415 0.000 1.158 255 A CA 1.201 53.450 52.037 0.354 0.000 0.661 255 A CB -0.247 18.985 19.000 0.387 0.000 0.801 255 A HN 0.485 nan 8.150 nan 0.000 0.452 256 Q N -0.178 119.769 119.800 0.247 0.000 2.198 256 Q HA 0.217 4.510 4.340 -0.079 0.000 0.209 256 Q C -0.303 175.731 176.000 0.056 0.000 0.848 256 Q CA -0.325 55.555 55.803 0.127 0.000 0.974 256 Q CB 0.477 29.194 28.738 -0.034 0.000 1.115 256 Q HN 0.517 nan 8.270 nan 0.000 0.494 257 S N 0.608 116.348 115.700 0.066 0.000 2.603 257 S HA 0.323 4.745 4.470 -0.079 0.000 0.268 257 S C -0.075 174.416 174.600 -0.181 0.000 1.317 257 S CA -0.341 57.770 58.200 -0.148 0.000 1.012 257 S CB 0.702 63.718 63.200 -0.308 0.000 0.926 257 S HN 0.237 nan 8.310 nan 0.000 0.539 258 R N 1.299 121.618 120.500 -0.302 0.000 2.215 258 R HA 0.277 4.569 4.340 -0.079 0.000 0.336 258 R C -0.567 175.566 176.300 -0.278 0.000 0.996 258 R CA -0.189 55.828 56.100 -0.137 0.000 0.847 258 R CB 0.474 30.649 30.300 -0.209 0.000 1.127 258 R HN 0.700 nan 8.270 nan 0.000 0.465 259 Y N 0.503 120.836 120.300 0.054 0.000 2.507 259 Y HA 0.182 4.683 4.550 -0.082 0.000 0.263 259 Y C 0.010 175.640 175.900 -0.449 0.000 1.093 259 Y CA 0.059 58.057 58.100 -0.170 0.000 1.285 259 Y CB 0.670 39.080 38.460 -0.084 0.000 1.115 259 Y HN 0.477 nan 8.280 nan 0.000 0.533 260 W N -0.498 120.972 121.300 0.283 0.000 3.213 260 W HA 0.570 5.179 4.660 -0.085 0.000 0.318 260 W C -0.829 175.809 176.519 0.199 0.000 1.248 260 W CA -1.279 56.189 57.345 0.204 0.000 1.187 260 W CB 1.121 30.677 29.460 0.161 0.000 1.403 260 W HN -0.508 nan 8.180 nan 0.000 0.556 261 R N 1.481 122.190 120.500 0.347 0.000 2.393 261 R HA 0.744 5.037 4.340 -0.079 0.000 0.315 261 R C -1.796 174.538 176.300 0.057 0.000 0.952 261 R CA -0.518 55.612 56.100 0.050 0.000 0.842 261 R CB 1.348 31.640 30.300 -0.012 0.000 1.163 261 R HN 0.407 nan 8.270 nan 0.000 0.450 262 V N 5.607 125.507 119.914 -0.024 0.000 2.380 262 V HA 0.478 4.551 4.120 -0.079 0.000 0.286 262 V C 0.901 176.958 176.094 -0.063 0.000 1.015 262 V CA 0.224 62.516 62.300 -0.014 0.000 0.834 262 V CB 0.774 32.607 31.823 0.016 0.000 1.009 262 V HN 1.143 nan 8.190 nan 0.000 0.428 263 G N 5.104 113.865 108.800 -0.064 0.000 2.561 263 G HA2 -0.143 3.770 3.960 -0.079 0.000 0.289 263 G HA3 -0.143 3.770 3.960 -0.079 0.000 0.289 263 G C 0.875 175.710 174.900 -0.109 0.000 1.169 263 G CA 0.497 45.557 45.100 -0.068 0.000 0.980 263 G HN 1.642 nan 8.290 nan 0.000 0.550 264 A N -0.119 122.643 122.820 -0.097 0.000 2.387 264 A HA 0.673 4.946 4.320 -0.079 0.000 0.234 264 A C 0.910 178.406 177.584 -0.147 0.000 1.253 264 A CA 1.576 53.546 52.037 -0.112 0.000 0.894 264 A CB -0.418 18.547 19.000 -0.059 0.000 0.963 264 A HN 1.653 nan 8.150 nan 0.000 0.508 265 M N -2.911 116.590 119.600 -0.165 0.000 2.644 265 M HA 0.795 5.228 4.480 -0.079 0.000 0.316 265 M C -1.333 174.797 176.300 -0.284 0.000 1.200 265 M CA -0.615 54.625 55.300 -0.100 0.000 0.944 265 M CB 0.885 33.544 32.600 0.099 0.000 1.691 265 M HN 0.027 nan 8.290 nan 0.000 0.471 266 Y N 0.074 120.486 120.300 0.187 0.000 2.393 266 Y HA 0.579 5.078 4.550 -0.085 0.000 0.341 266 Y C -0.557 175.508 175.900 0.274 0.000 0.988 266 Y CA -0.559 57.666 58.100 0.209 0.000 1.078 266 Y CB 1.850 40.401 38.460 0.151 0.000 1.203 266 Y HN 0.686 nan 8.280 nan 0.000 0.453 267 Q N 2.072 122.165 119.800 0.489 0.000 2.322 267 Q HA 0.542 4.834 4.340 -0.079 0.000 0.256 267 Q C -0.026 176.284 176.000 0.518 0.000 0.960 267 Q CA -0.233 55.855 55.803 0.475 0.000 0.934 267 Q CB 1.083 30.109 28.738 0.481 0.000 1.200 267 Q HN 0.893 nan 8.270 nan 0.000 0.435 268 G N 2.745 111.823 108.800 0.464 0.000 2.606 268 G HA2 0.454 4.367 3.960 -0.079 0.000 0.262 268 G HA3 0.454 4.367 3.960 -0.079 0.000 0.262 268 G C -0.860 174.233 174.900 0.322 0.000 1.394 268 G CA -0.842 44.556 45.100 0.497 0.000 1.044 268 G HN 0.606 nan 8.290 nan 0.000 0.553 269 L N 1.313 122.689 121.223 0.254 0.000 2.302 269 L HA 0.402 4.695 4.340 -0.079 0.000 0.285 269 L C 1.458 178.378 176.870 0.084 0.000 1.090 269 L CA 0.657 55.515 54.840 0.030 0.000 0.866 269 L CB 0.296 42.356 42.059 0.001 0.000 1.244 269 L HN 1.054 nan 8.230 nan 0.000 0.435 270 G N 2.157 110.990 108.800 0.055 0.000 3.329 270 G HA2 -0.300 3.613 3.960 -0.079 0.000 0.220 270 G HA3 -0.300 3.613 3.960 -0.079 0.000 0.220 270 G C 0.006 174.975 174.900 0.115 0.000 1.358 270 G CA -0.265 44.862 45.100 0.044 0.000 0.856 270 G HN 0.509 nan 8.290 nan 0.000 0.551 271 W N 2.277 123.713 121.300 0.226 0.000 2.170 271 W HA 0.600 5.451 4.660 0.318 0.000 0.336 271 W C 0.735 177.405 176.519 0.252 0.000 1.283 271 W CA -0.350 57.126 57.345 0.218 0.000 1.224 271 W CB 0.499 30.059 29.460 0.166 0.000 1.132 271 W HN 0.265 nan 8.180 nan 0.000 0.571 272 E N 1.816 122.384 120.200 0.613 0.000 2.256 272 E HA 0.586 4.888 4.350 -0.079 0.000 0.267 272 E C -0.870 176.019 176.600 0.483 0.000 0.892 272 E CA -1.146 55.565 56.400 0.518 0.000 0.775 272 E CB 1.918 31.915 29.700 0.495 0.000 1.207 272 E HN 0.194 nan 8.360 nan 0.000 0.420 273 M N 1.881 121.712 119.600 0.385 0.000 2.550 273 M HA 0.506 4.938 4.480 -0.079 0.000 0.292 273 M C -1.590 174.911 176.300 0.334 0.000 1.221 273 M CA -0.372 55.093 55.300 0.274 0.000 0.873 273 M CB 1.884 34.598 32.600 0.190 0.000 1.727 273 M HN 0.324 nan 8.290 nan 0.000 0.459 274 L N 0.760 122.157 121.223 0.290 0.000 2.434 274 L HA 0.506 4.798 4.340 -0.079 0.000 0.260 274 L C -0.653 176.397 176.870 0.301 0.000 0.983 274 L CA -0.475 54.534 54.840 0.282 0.000 0.820 274 L CB 2.409 44.562 42.059 0.158 0.000 1.361 274 L HN 0.668 nan 8.230 nan 0.000 0.410 275 N N 1.271 120.142 118.700 0.284 0.000 2.454 275 N HA 0.016 4.708 4.740 -0.079 0.000 0.260 275 N C -1.229 174.438 175.510 0.262 0.000 1.218 275 N CA -0.039 53.151 53.050 0.233 0.000 0.904 275 N CB 0.797 39.385 38.487 0.168 0.000 1.065 275 N HN 0.482 nan 8.380 nan 0.000 0.462 276 W N 4.121 125.475 121.300 0.090 0.000 2.365 276 W HA 0.303 4.917 4.660 -0.076 0.000 0.316 276 W C -2.302 174.255 176.519 0.063 0.000 1.164 276 W CA -1.739 55.666 57.345 0.100 0.000 1.204 276 W CB 0.811 30.333 29.460 0.102 0.000 1.213 276 W HN 0.426 nan 8.180 nan 0.000 0.539 277 P HA 0.143 nan 4.420 nan 0.000 0.272 277 P C -1.152 175.670 177.300 -0.796 0.000 1.230 277 P CA -0.272 61.598 63.100 -2.050 0.000 0.788 277 P CB 1.333 32.365 31.700 -1.113 0.000 0.949 278 V N 1.020 120.459 119.914 -0.792 0.000 2.841 278 V HA 0.272 4.344 4.120 -0.079 0.000 0.310 278 V C -0.957 175.049 176.094 -0.146 0.000 1.090 278 V CA -0.877 61.303 62.300 -0.200 0.000 0.930 278 V CB 2.005 33.854 31.823 0.044 0.000 1.014 278 V HN 0.507 nan 8.190 nan 0.000 0.425 279 D N 4.258 124.556 120.400 -0.169 0.000 2.458 279 D HA 0.228 4.821 4.640 -0.079 0.000 0.243 279 D C 1.044 177.127 176.300 -0.362 0.000 1.146 279 D CA 0.787 54.669 54.000 -0.197 0.000 0.877 279 D CB 2.100 42.804 40.800 -0.160 0.000 1.176 279 D HN 0.782 nan 8.370 nan 0.000 0.461 280 A N 5.107 127.572 122.820 -0.592 0.000 1.933 280 A HA -0.198 4.074 4.320 -0.079 0.000 0.218 280 A C 2.040 179.307 177.584 -0.527 0.000 1.175 280 A CA 1.674 53.092 52.037 -1.032 0.000 0.628 280 A CB -0.322 17.991 19.000 -1.145 0.000 0.814 280 A HN 0.724 nan 8.150 nan 0.000 0.444 281 K N -0.852 119.350 120.400 -0.330 0.000 2.057 281 K HA -0.144 4.128 4.320 -0.079 0.000 0.207 281 K C 2.019 178.511 176.600 -0.179 0.000 1.049 281 K CA 1.900 58.060 56.287 -0.211 0.000 0.931 281 K CB -0.372 32.037 32.500 -0.151 0.000 0.714 281 K HN 0.427 nan 8.250 nan 0.000 0.440 282 T N 0.653 115.098 114.554 -0.180 0.000 2.674 282 T HA -0.144 4.159 4.350 -0.079 0.000 0.265 282 T C 1.778 176.397 174.700 -0.135 0.000 1.039 282 T CA 1.468 63.486 62.100 -0.137 0.000 1.150 282 T CB -0.275 68.516 68.868 -0.128 0.000 0.864 282 T HN 0.096 nan 8.240 nan 0.000 0.427 283 V N 1.073 120.864 119.914 -0.205 0.000 2.307 283 V HA -0.125 3.948 4.120 -0.079 0.000 0.245 283 V C 2.539 178.572 176.094 -0.102 0.000 1.045 283 V CA 1.466 63.658 62.300 -0.179 0.000 1.024 283 V CB -0.413 31.165 31.823 -0.408 0.000 0.651 283 V HN 0.334 nan 8.190 nan 0.000 0.449 284 V N 0.113 119.925 119.914 -0.170 0.000 2.295 284 V HA -0.251 3.821 4.120 -0.079 0.000 0.246 284 V C 2.437 178.482 176.094 -0.082 0.000 1.049 284 V CA 2.476 64.703 62.300 -0.121 0.000 1.024 284 V CB -0.711 31.017 31.823 -0.157 0.000 0.648 284 V HN 0.639 nan 8.190 nan 0.000 0.447 285 E N 0.243 120.390 120.200 -0.088 0.000 2.107 285 E HA -0.086 4.216 4.350 -0.079 0.000 0.191 285 E C 2.308 178.879 176.600 -0.047 0.000 0.982 285 E CA 1.013 57.373 56.400 -0.066 0.000 0.809 285 E CB -0.408 29.249 29.700 -0.070 0.000 0.756 285 E HN 0.643 nan 8.360 nan 0.000 0.459 286 G N 1.409 110.186 108.800 -0.038 0.000 2.470 286 G HA2 -0.247 3.665 3.960 -0.079 0.000 0.220 286 G HA3 -0.247 3.665 3.960 -0.079 0.000 0.220 286 G C 1.649 176.548 174.900 -0.002 0.000 1.121 286 G CA 1.073 46.166 45.100 -0.012 0.000 0.766 286 G HN 0.340 nan 8.290 nan 0.000 0.553 287 S N -0.537 115.161 115.700 -0.003 0.000 2.558 287 S HA 0.078 4.500 4.470 -0.079 0.000 0.217 287 S C 0.684 175.247 174.600 -0.063 0.000 0.975 287 S CA -0.225 57.961 58.200 -0.023 0.000 0.912 287 S CB 0.131 63.329 63.200 -0.002 0.000 0.776 287 S HN 0.329 nan 8.310 nan 0.000 0.526 288 D N 1.916 122.283 120.400 -0.055 0.000 2.423 288 D HA 0.056 4.649 4.640 -0.079 0.000 0.238 288 D C 0.456 176.720 176.300 -0.060 0.000 1.142 288 D CA 0.048 54.015 54.000 -0.055 0.000 0.884 288 D CB 0.591 41.364 40.800 -0.044 0.000 1.199 288 D HN 0.031 nan 8.370 nan 0.000 0.438 289 N N 2.898 121.564 118.700 -0.057 0.000 2.149 289 N HA -0.163 4.530 4.740 -0.079 0.000 0.188 289 N C 1.417 176.904 175.510 -0.038 0.000 1.019 289 N CA 0.937 53.955 53.050 -0.053 0.000 0.857 289 N CB -0.064 38.402 38.487 -0.035 0.000 0.997 289 N HN 0.494 nan 8.380 nan 0.000 0.426 290 K N 0.100 120.483 120.400 -0.029 0.000 2.211 290 K HA -0.052 4.220 4.320 -0.079 0.000 0.204 290 K C 1.566 178.150 176.600 -0.026 0.000 1.047 290 K CA 0.762 57.037 56.287 -0.021 0.000 0.935 290 K CB 0.211 32.700 32.500 -0.018 0.000 0.728 290 K HN 0.042 nan 8.250 nan 0.000 0.452 291 V N -0.421 119.471 119.914 -0.036 0.000 2.743 291 V HA 0.026 4.098 4.120 -0.079 0.000 0.237 291 V C 1.939 178.004 176.094 -0.049 0.000 1.113 291 V CA 1.234 63.511 62.300 -0.039 0.000 1.141 291 V CB 0.207 32.008 31.823 -0.037 0.000 0.873 291 V HN 0.207 nan 8.190 nan 0.000 0.486 292 A N -0.147 122.633 122.820 -0.067 0.000 2.019 292 A HA -0.065 4.208 4.320 -0.079 0.000 0.219 292 A C 1.963 179.472 177.584 -0.126 0.000 1.164 292 A CA 1.524 53.495 52.037 -0.110 0.000 0.644 292 A CB -0.403 18.501 19.000 -0.159 0.000 0.805 292 A HN 0.509 nan 8.150 nan 0.000 0.449 293 L N -1.140 120.035 121.223 -0.080 0.000 2.607 293 L HA 0.273 4.565 4.340 -0.079 0.000 0.228 293 L C 1.134 178.014 176.870 0.015 0.000 1.123 293 L CA -0.081 54.745 54.840 -0.024 0.000 0.890 293 L CB -0.289 41.763 42.059 -0.012 0.000 1.103 293 L HN 0.362 nan 8.230 nan 0.000 0.468 294 A N 1.276 124.091 122.820 -0.008 0.000 2.322 294 A HA 0.545 4.818 4.320 -0.079 0.000 0.269 294 A C -2.298 175.260 177.584 -0.043 0.000 1.094 294 A CA -1.155 50.878 52.037 -0.006 0.000 0.807 294 A CB -0.160 18.827 19.000 -0.022 0.000 1.047 294 A HN -0.104 nan 8.150 nan 0.000 0.487 295 P HA 0.455 nan 4.420 nan 0.000 0.281 295 P C -1.150 175.961 177.300 -0.314 0.000 1.252 295 P CA 0.238 63.170 63.100 -0.280 0.000 0.778 295 P CB 0.618 32.002 31.700 -0.527 0.000 0.895 296 L N 5.094 126.135 121.223 -0.303 0.000 2.401 296 L HA 0.499 4.792 4.340 -0.079 0.000 0.266 296 L C -2.488 174.228 176.870 -0.256 0.000 0.991 296 L CA -2.925 51.775 54.840 -0.233 0.000 0.818 296 L CB 2.403 44.384 42.059 -0.130 0.000 1.321 296 L HN 0.084 nan 8.230 nan 0.000 0.413 297 P HA 0.139 nan 4.420 nan 0.000 0.267 297 P C -1.125 176.122 177.300 -0.088 0.000 1.200 297 P CA -0.080 62.925 63.100 -0.157 0.000 0.772 297 P CB 0.756 32.398 31.700 -0.096 0.000 0.855 298 A N 2.680 125.471 122.820 -0.049 0.000 2.335 298 A HA 0.599 4.872 4.320 -0.079 0.000 0.304 298 A C -0.497 177.310 177.584 0.371 0.000 1.118 298 A CA -0.682 51.400 52.037 0.075 0.000 0.757 298 A CB 0.862 19.702 19.000 -0.266 0.000 1.188 298 A HN 0.362 nan 8.150 nan 0.000 0.460 299 R N 1.824 122.551 120.500 0.379 0.000 2.202 299 R HA 0.308 4.601 4.340 -0.079 0.000 0.334 299 R C -0.120 176.381 176.300 0.335 0.000 1.036 299 R CA -0.100 56.194 56.100 0.324 0.000 0.878 299 R CB 0.306 30.704 30.300 0.164 0.000 1.067 299 R HN 0.798 nan 8.270 nan 0.000 0.457 300 E N 2.944 123.202 120.200 0.096 0.000 2.366 300 E HA 0.059 4.362 4.350 -0.079 0.000 0.266 300 E C -0.750 175.685 176.600 -0.275 0.000 1.015 300 E CA -0.203 55.862 56.400 -0.558 0.000 0.906 300 E CB 0.720 30.008 29.700 -0.686 0.000 0.979 300 E HN 0.325 nan 8.360 nan 0.000 0.443 301 V N 5.489 125.228 119.914 -0.291 0.000 2.389 301 V HA 0.037 4.110 4.120 -0.079 0.000 0.264 301 V C -0.117 175.870 176.094 -0.179 0.000 1.049 301 V CA -0.454 61.756 62.300 -0.151 0.000 0.932 301 V CB 0.622 32.381 31.823 -0.107 0.000 1.011 301 V HN 0.672 nan 8.190 nan 0.000 0.475 302 N N 7.275 125.904 118.700 -0.119 0.000 2.468 302 N HA 0.300 4.993 4.740 -0.079 0.000 0.265 302 N C -2.580 172.876 175.510 -0.090 0.000 1.199 302 N CA -0.300 52.696 53.050 -0.091 0.000 0.928 302 N CB 0.025 38.478 38.487 -0.057 0.000 1.059 302 N HN 0.524 nan 8.380 nan 0.000 0.467 303 P HA -0.126 nan 4.420 nan 0.000 0.134 303 P C -2.611 174.605 177.300 -0.140 0.000 0.972 303 P CA -0.274 62.774 63.100 -0.087 0.000 0.928 303 P CB -0.526 31.132 31.700 -0.070 0.000 1.381 304 P HA 0.068 nan 4.420 nan 0.000 0.262 304 P C 0.108 177.230 177.300 -0.296 0.000 1.182 304 P CA 0.641 63.524 63.100 -0.362 0.000 0.761 304 P CB 0.535 31.860 31.700 -0.625 0.000 0.795 305 A N 6.974 129.632 122.820 -0.271 0.000 2.511 305 A HA 0.318 4.591 4.320 -0.079 0.000 0.242 305 A C -1.775 175.673 177.584 -0.226 0.000 1.069 305 A CA -0.793 51.114 52.037 -0.216 0.000 0.763 305 A CB -0.917 17.949 19.000 -0.224 0.000 1.001 305 A HN 0.402 nan 8.150 nan 0.000 0.498 306 P HA 0.299 nan 4.420 nan 0.000 0.277 306 P C -2.740 174.479 177.300 -0.135 0.000 1.271 306 P CA -1.676 61.341 63.100 -0.139 0.000 0.795 306 P CB -0.604 31.037 31.700 -0.098 0.000 1.101 307 P HA -0.020 nan 4.420 nan 0.000 0.264 307 P C -0.338 176.900 177.300 -0.104 0.000 1.193 307 P CA 0.312 63.350 63.100 -0.103 0.000 0.763 307 P CB 0.055 31.706 31.700 -0.081 0.000 0.810 308 V N 2.704 122.549 119.914 -0.115 0.000 2.394 308 V HA 0.284 4.357 4.120 -0.079 0.000 0.282 308 V C 0.950 177.002 176.094 -0.071 0.000 1.031 308 V CA -0.384 61.863 62.300 -0.089 0.000 0.881 308 V CB 1.096 32.862 31.823 -0.096 0.000 0.982 308 V HN 0.282 nan 8.190 nan 0.000 0.451 309 N N 4.659 123.327 118.700 -0.053 0.000 2.289 309 N HA -0.009 4.684 4.740 -0.079 0.000 0.184 309 N C 1.098 176.594 175.510 -0.023 0.000 1.016 309 N CA 1.596 54.616 53.050 -0.050 0.000 0.872 309 N CB -0.256 38.207 38.487 -0.040 0.000 0.973 309 N HN 0.957 nan 8.380 nan 0.000 0.433 310 A N 0.575 123.414 122.820 0.032 0.000 3.056 310 A HA 0.442 4.715 4.320 -0.079 0.000 0.274 310 A C -0.142 177.552 177.584 0.182 0.000 1.661 310 A CA -0.217 51.906 52.037 0.142 0.000 1.363 310 A CB -0.257 18.842 19.000 0.165 0.000 1.139 310 A HN 0.018 nan 8.150 nan 0.000 0.598 311 S N 0.651 116.409 115.700 0.096 0.000 2.599 311 S HA 0.557 4.980 4.470 -0.079 0.000 0.287 311 S C -0.972 173.647 174.600 0.032 0.000 1.105 311 S CA -0.595 57.666 58.200 0.103 0.000 0.899 311 S CB 1.245 64.417 63.200 -0.048 0.000 1.100 311 S HN 0.703 nan 8.310 nan 0.000 0.482 312 W N 3.474 124.745 121.300 -0.048 0.000 2.283 312 W HA 0.541 5.153 4.660 -0.080 0.000 0.317 312 W C -1.846 174.487 176.519 -0.310 0.000 1.042 312 W CA -0.578 56.653 57.345 -0.190 0.000 1.348 312 W CB 0.520 29.993 29.460 0.022 0.000 1.216 312 W HN 0.329 nan 8.180 nan 0.000 0.404 313 V N 7.969 127.432 119.914 -0.751 0.000 2.350 313 V HA 0.320 4.393 4.120 -0.079 0.000 0.276 313 V C 0.153 175.900 176.094 -0.578 0.000 1.028 313 V CA -0.195 61.632 62.300 -0.788 0.000 0.860 313 V CB 0.764 31.569 31.823 -1.697 0.000 0.990 313 V HN 0.649 nan 8.190 nan 0.000 0.453 314 H N 2.870 121.896 119.070 -0.073 0.000 2.966 314 H HA 0.935 5.453 4.556 -0.063 0.000 0.330 314 H C -1.217 174.350 175.328 0.399 0.000 1.292 314 H CA -1.379 54.730 56.048 0.102 0.000 1.127 314 H CB 2.393 32.262 29.762 0.179 0.000 1.863 314 H HN 0.376 nan 8.280 nan 0.000 0.543 315 K N 0.898 121.390 120.400 0.152 0.000 2.575 315 K HA 0.255 4.528 4.320 -0.079 0.000 0.255 315 K C -1.621 174.997 176.600 0.030 0.000 0.953 315 K CA -0.317 56.014 56.287 0.072 0.000 0.840 315 K CB 2.538 35.095 32.500 0.095 0.000 1.303 315 K HN 0.779 nan 8.250 nan 0.000 0.438 316 T N 1.684 116.304 114.554 0.111 0.000 2.875 316 T HA 0.800 5.103 4.350 -0.079 0.000 0.284 316 T C -0.480 174.299 174.700 0.132 0.000 0.995 316 T CA -0.222 62.021 62.100 0.238 0.000 1.060 316 T CB 0.728 69.717 68.868 0.202 0.000 0.967 316 T HN 0.630 nan 8.240 nan 0.000 0.476 317 G N 2.366 111.259 108.800 0.156 0.000 2.687 317 G HA2 0.592 4.504 3.960 -0.079 0.000 0.301 317 G HA3 0.592 4.504 3.960 -0.079 0.000 0.301 317 G C -1.194 173.799 174.900 0.156 0.000 1.416 317 G CA -0.513 44.680 45.100 0.155 0.000 1.005 317 G HN 0.763 nan 8.290 nan 0.000 0.509 318 S N -0.055 115.731 115.700 0.143 0.000 2.599 318 S HA 0.896 5.318 4.470 -0.079 0.000 0.294 318 S C 0.083 174.776 174.600 0.155 0.000 1.094 318 S CA -0.669 57.622 58.200 0.151 0.000 0.931 318 S CB 2.180 65.434 63.200 0.089 0.000 1.093 318 S HN 1.163 nan 8.310 nan 0.000 0.488 319 T N -2.232 112.445 114.554 0.205 0.000 2.742 319 T HA 0.651 4.953 4.350 -0.079 0.000 0.282 319 T C 1.245 176.054 174.700 0.182 0.000 1.025 319 T CA -0.253 61.951 62.100 0.174 0.000 1.020 319 T CB 0.831 69.850 68.868 0.252 0.000 1.317 319 T HN 0.565 nan 8.240 nan 0.000 0.538 320 G N -0.529 108.361 108.800 0.150 0.000 2.448 320 G HA2 0.197 4.109 3.960 -0.079 0.000 0.219 320 G HA3 0.197 4.109 3.960 -0.079 0.000 0.219 320 G C 1.147 176.146 174.900 0.165 0.000 1.127 320 G CA 0.572 45.748 45.100 0.128 0.000 0.766 320 G HN 1.153 nan 8.290 nan 0.000 0.552 321 G N -1.257 107.694 108.800 0.252 0.000 3.192 321 G HA2 0.457 4.369 3.960 -0.079 0.000 0.239 321 G HA3 0.457 4.369 3.960 -0.079 0.000 0.239 321 G C -0.343 174.581 174.900 0.041 0.000 1.084 321 G CA -0.432 44.753 45.100 0.143 0.000 0.784 321 G HN 0.189 nan 8.290 nan 0.000 0.540 322 F N -0.300 119.784 119.950 0.224 0.000 2.576 322 F HA 0.698 5.181 4.527 -0.072 0.000 0.313 322 F C 0.318 176.255 175.800 0.228 0.000 1.078 322 F CA -1.105 57.059 58.000 0.274 0.000 0.921 322 F CB 2.614 41.794 39.000 0.300 0.000 1.232 322 F HN -0.007 nan 8.300 nan 0.000 0.459 323 G N 1.009 110.076 108.800 0.445 0.000 2.744 323 G HA2 0.571 4.484 3.960 -0.079 0.000 0.286 323 G HA3 0.571 4.484 3.960 -0.079 0.000 0.286 323 G C -1.608 173.464 174.900 0.286 0.000 1.497 323 G CA -0.551 44.710 45.100 0.268 0.000 1.070 323 G HN 0.565 nan 8.290 nan 0.000 0.539 324 S N 0.287 116.125 115.700 0.230 0.000 2.599 324 S HA 0.787 5.209 4.470 -0.079 0.000 0.287 324 S C -1.756 173.015 174.600 0.285 0.000 1.105 324 S CA -0.626 57.717 58.200 0.239 0.000 0.899 324 S CB 2.087 65.413 63.200 0.210 0.000 1.100 324 S HN 0.687 nan 8.310 nan 0.000 0.482 325 Y N 0.731 121.117 120.300 0.144 0.000 2.513 325 Y HA 0.656 5.171 4.550 -0.058 0.000 0.340 325 Y C -1.803 174.228 175.900 0.219 0.000 1.055 325 Y CA -0.633 57.567 58.100 0.167 0.000 1.020 325 Y CB 1.144 39.698 38.460 0.157 0.000 1.301 325 Y HN 0.483 nan 8.280 nan 0.000 0.453 326 V N 4.014 123.605 119.914 -0.538 0.000 2.760 326 V HA 0.967 5.040 4.120 -0.079 0.000 0.309 326 V C -0.959 174.878 176.094 -0.428 0.000 1.077 326 V CA -0.383 61.778 62.300 -0.231 0.000 0.910 326 V CB 1.489 33.442 31.823 0.217 0.000 1.008 326 V HN 1.005 nan 8.190 nan 0.000 0.424 327 A N 4.423 127.086 122.820 -0.261 0.000 2.488 327 A HA 1.010 5.282 4.320 -0.079 0.000 0.298 327 A C -1.288 176.050 177.584 -0.411 0.000 1.044 327 A CA -0.493 51.261 52.037 -0.472 0.000 0.693 327 A CB 1.705 20.334 19.000 -0.617 0.000 1.272 327 A HN 1.481 nan 8.150 nan 0.000 0.402 328 F N -0.399 119.101 119.950 -0.749 0.000 2.662 328 F HA 0.873 5.333 4.527 -0.112 0.000 0.312 328 F C -1.349 174.065 175.800 -0.644 0.000 1.113 328 F CA -1.411 56.217 58.000 -0.620 0.000 0.951 328 F CB 1.348 40.071 39.000 -0.462 0.000 1.344 328 F HN 0.303 nan 8.300 nan 0.000 0.462 329 I N 2.406 122.732 120.570 -0.407 0.000 2.493 329 I HA 0.319 4.441 4.170 -0.079 0.000 0.279 329 I C -2.109 173.873 176.117 -0.226 0.000 1.045 329 I CA -1.845 59.176 61.300 -0.465 0.000 1.106 329 I CB 2.056 39.642 38.000 -0.691 0.000 1.216 329 I HN 0.393 nan 8.210 nan 0.000 0.459 330 P HA -0.184 nan 4.420 nan 0.000 0.218 330 P C 1.406 178.657 177.300 -0.083 0.000 1.148 330 P CA 1.087 64.150 63.100 -0.061 0.000 0.822 330 P CB 0.406 32.080 31.700 -0.043 0.000 0.784 331 E N 0.903 121.051 120.200 -0.087 0.000 2.038 331 E HA -0.213 4.090 4.350 -0.079 0.000 0.195 331 E C 1.476 178.045 176.600 -0.052 0.000 1.000 331 E CA 1.580 57.954 56.400 -0.043 0.000 0.803 331 E CB -0.322 29.387 29.700 0.015 0.000 0.750 331 E HN 0.144 nan 8.360 nan 0.000 0.448 332 K N -0.261 120.086 120.400 -0.088 0.000 2.459 332 K HA 0.018 4.291 4.320 -0.079 0.000 0.193 332 K C 0.040 176.569 176.600 -0.119 0.000 1.030 332 K CA 0.294 56.527 56.287 -0.091 0.000 1.026 332 K CB 0.442 32.880 32.500 -0.104 0.000 0.809 332 K HN 0.071 nan 8.250 nan 0.000 0.504 333 Q N 0.219 119.949 119.800 -0.117 0.000 2.475 333 Q HA -0.197 4.096 4.340 -0.079 0.000 0.280 333 Q C -0.948 174.983 176.000 -0.115 0.000 1.234 333 Q CA 0.686 56.421 55.803 -0.114 0.000 0.873 333 Q CB -1.665 27.004 28.738 -0.115 0.000 1.256 333 Q HN 0.205 nan 8.270 nan 0.000 0.475 334 L N -0.700 120.451 121.223 -0.120 0.000 2.341 334 L HA 0.842 5.135 4.340 -0.079 0.000 0.278 334 L C 0.394 177.202 176.870 -0.103 0.000 1.005 334 L CA 0.374 55.159 54.840 -0.091 0.000 0.818 334 L CB 1.884 43.876 42.059 -0.111 0.000 1.259 334 L HN 0.170 nan 8.230 nan 0.000 0.418 335 G N 4.400 113.177 108.800 -0.039 0.000 2.692 335 G HA2 0.666 4.579 3.960 -0.079 0.000 0.291 335 G HA3 0.666 4.579 3.960 -0.079 0.000 0.291 335 G C -2.102 172.816 174.900 0.031 0.000 1.423 335 G CA -0.445 44.634 45.100 -0.036 0.000 0.843 335 G HN 0.698 nan 8.290 nan 0.000 0.486 336 I N 0.045 120.635 120.570 0.033 0.000 2.752 336 I HA 0.642 4.765 4.170 -0.079 0.000 0.295 336 I C -1.346 174.850 176.117 0.131 0.000 1.219 336 I CA -0.965 60.406 61.300 0.119 0.000 1.030 336 I CB 2.387 40.479 38.000 0.154 0.000 1.259 336 I HN 0.356 nan 8.210 nan 0.000 0.423 337 V N 7.413 127.437 119.914 0.184 0.000 2.577 337 V HA 0.510 4.582 4.120 -0.079 0.000 0.303 337 V C -0.543 175.677 176.094 0.210 0.000 1.042 337 V CA -0.407 62.003 62.300 0.184 0.000 0.872 337 V CB 1.861 33.791 31.823 0.179 0.000 0.998 337 V HN 0.640 nan 8.190 nan 0.000 0.423 338 M N 6.214 125.942 119.600 0.214 0.000 2.022 338 M HA 0.540 4.973 4.480 -0.079 0.000 0.298 338 M C -1.267 175.103 176.300 0.117 0.000 0.909 338 M CA -0.105 55.317 55.300 0.204 0.000 0.914 338 M CB 1.565 34.341 32.600 0.294 0.000 1.486 338 M HN 0.389 nan 8.290 nan 0.000 0.415 339 L N 2.918 124.090 121.223 -0.086 0.000 2.282 339 L HA 0.919 5.212 4.340 -0.079 0.000 0.288 339 L C -0.092 176.472 176.870 -0.510 0.000 1.033 339 L CA -0.658 53.965 54.840 -0.362 0.000 0.807 339 L CB 1.392 42.950 42.059 -0.834 0.000 1.209 339 L HN 0.725 nan 8.230 nan 0.000 0.423 340 A N 2.306 125.109 122.820 -0.028 0.000 2.414 340 A HA 0.513 4.785 4.320 -0.079 0.000 0.306 340 A C -0.159 177.738 177.584 0.522 0.000 1.054 340 A CA -0.779 51.404 52.037 0.243 0.000 0.724 340 A CB 1.202 20.391 19.000 0.316 0.000 1.267 340 A HN 0.750 nan 8.150 nan 0.000 0.418 341 N N 1.035 120.022 118.700 0.479 0.000 2.597 341 N HA 0.212 4.905 4.740 -0.079 0.000 0.269 341 N C -0.568 174.946 175.510 0.008 0.000 1.204 341 N CA -0.145 52.916 53.050 0.018 0.000 0.947 341 N CB 0.076 38.596 38.487 0.056 0.000 1.258 341 N HN 0.533 nan 8.380 nan 0.000 0.508 342 K N -0.839 119.653 120.400 0.154 0.000 2.571 342 K HA 0.232 4.504 4.320 -0.079 0.000 0.252 342 K C -1.517 175.279 176.600 0.328 0.000 0.956 342 K CA -0.450 55.950 56.287 0.189 0.000 0.822 342 K CB 1.232 33.822 32.500 0.150 0.000 1.286 342 K HN -0.054 nan 8.250 nan 0.000 0.439 343 S N 4.929 120.783 115.700 0.256 0.000 2.498 343 S HA 0.294 4.717 4.470 -0.079 0.000 0.314 343 S C -0.624 174.112 174.600 0.226 0.000 1.141 343 S CA -0.431 57.902 58.200 0.223 0.000 1.087 343 S CB -0.531 62.767 63.200 0.163 0.000 1.178 343 S HN 0.458 nan 8.310 nan 0.000 0.533 344 Y N 2.712 123.057 120.300 0.074 0.000 2.534 344 Y HA 0.791 5.298 4.550 -0.072 0.000 0.329 344 Y C -2.788 173.133 175.900 0.034 0.000 1.154 344 Y CA -3.717 54.410 58.100 0.046 0.000 1.192 344 Y CB -0.999 37.483 38.460 0.037 0.000 1.275 344 Y HN 0.323 nan 8.280 nan 0.000 0.491 345 P HA -0.044 nan 4.420 nan 0.000 0.261 345 P C 0.209 177.388 177.300 -0.201 0.000 1.165 345 P CA 0.446 63.507 63.100 -0.065 0.000 0.759 345 P CB 0.688 32.393 31.700 0.009 0.000 0.772 346 N N 4.266 122.861 118.700 -0.175 0.000 2.104 346 N HA -0.125 4.568 4.740 -0.079 0.000 0.190 346 N C -0.869 174.532 175.510 -0.181 0.000 1.024 346 N CA 1.757 54.690 53.050 -0.196 0.000 0.853 346 N CB -1.699 36.707 38.487 -0.135 0.000 1.008 346 N HN 0.446 nan 8.380 nan 0.000 0.424 347 P HA -0.051 nan 4.420 nan 0.000 0.218 347 P C 0.969 178.221 177.300 -0.079 0.000 1.148 347 P CA 1.357 64.402 63.100 -0.091 0.000 0.822 347 P CB -0.038 31.626 31.700 -0.059 0.000 0.784 348 A N -0.379 122.415 122.820 -0.044 0.000 2.014 348 A HA -0.154 4.118 4.320 -0.079 0.000 0.218 348 A C 2.154 179.769 177.584 0.053 0.000 1.163 348 A CA 1.100 53.168 52.037 0.051 0.000 0.652 348 A CB -0.769 18.351 19.000 0.200 0.000 0.808 348 A HN 0.113 nan 8.150 nan 0.000 0.449 349 R N -0.639 119.783 120.500 -0.130 0.000 2.062 349 R HA -0.030 4.262 4.340 -0.079 0.000 0.229 349 R C 1.986 178.054 176.300 -0.387 0.000 1.128 349 R CA 1.387 57.362 56.100 -0.210 0.000 0.960 349 R CB -0.615 29.452 30.300 -0.388 0.000 0.855 349 R HN 0.357 nan 8.270 nan 0.000 0.432 350 V N 1.658 121.278 119.914 -0.489 0.000 2.295 350 V HA -0.255 3.817 4.120 -0.079 0.000 0.246 350 V C 2.407 178.493 176.094 -0.013 0.000 1.049 350 V CA 2.097 64.186 62.300 -0.351 0.000 1.024 350 V CB -0.595 31.139 31.823 -0.150 0.000 0.648 350 V HN 0.407 nan 8.190 nan 0.000 0.447 351 E N 0.744 120.931 120.200 -0.022 0.000 2.038 351 E HA -0.269 4.033 4.350 -0.079 0.000 0.195 351 E C 2.206 178.886 176.600 0.132 0.000 1.000 351 E CA 1.727 58.153 56.400 0.043 0.000 0.803 351 E CB -0.329 29.375 29.700 0.007 0.000 0.750 351 E HN 0.531 nan 8.360 nan 0.000 0.448 352 A N 1.184 124.070 122.820 0.110 0.000 1.877 352 A HA -0.118 4.154 4.320 -0.079 0.000 0.216 352 A C 2.458 180.163 177.584 0.201 0.000 1.186 352 A CA 2.099 54.217 52.037 0.133 0.000 0.620 352 A CB -0.990 18.083 19.000 0.121 0.000 0.822 352 A HN 0.464 nan 8.150 nan 0.000 0.443 353 A N -1.717 121.268 122.820 0.276 0.000 1.902 353 A HA -0.114 4.159 4.320 -0.079 0.000 0.217 353 A C 2.143 180.022 177.584 0.492 0.000 1.181 353 A CA 1.668 53.957 52.037 0.419 0.000 0.623 353 A CB -0.835 18.582 19.000 0.694 0.000 0.818 353 A HN 0.706 nan 8.150 nan 0.000 0.443 354 Y N 0.437 120.980 120.300 0.405 0.000 2.128 354 Y HA -0.251 4.250 4.550 -0.083 0.000 0.284 354 Y C 2.594 178.629 175.900 0.226 0.000 1.154 354 Y CA 2.232 60.523 58.100 0.319 0.000 1.149 354 Y CB -0.266 38.215 38.460 0.036 0.000 0.976 354 Y HN 0.251 nan 8.280 nan 0.000 0.505 355 R N -0.067 120.623 120.500 0.316 0.000 2.083 355 R HA -0.204 4.089 4.340 -0.079 0.000 0.237 355 R C 2.261 178.620 176.300 0.097 0.000 1.137 355 R CA 2.256 58.470 56.100 0.191 0.000 0.951 355 R CB -0.589 29.802 30.300 0.152 0.000 0.851 355 R HN 0.410 nan 8.270 nan 0.000 0.434 356 I N 0.701 121.334 120.570 0.105 0.000 2.142 356 I HA -0.303 3.820 4.170 -0.079 0.000 0.240 356 I C 2.302 178.450 176.117 0.051 0.000 1.078 356 I CA 1.316 62.651 61.300 0.059 0.000 1.343 356 I CB -0.291 37.748 38.000 0.065 0.000 1.046 356 I HN 0.166 nan 8.210 nan 0.000 0.405 357 L N 0.438 121.710 121.223 0.082 0.000 2.083 357 L HA -0.184 4.108 4.340 -0.079 0.000 0.209 357 L C 2.734 179.608 176.870 0.006 0.000 1.083 357 L CA 1.795 56.663 54.840 0.046 0.000 0.752 357 L CB -0.809 41.291 42.059 0.068 0.000 0.899 357 L HN 0.410 nan 8.230 nan 0.000 0.433 358 S N -0.066 115.583 115.700 -0.084 0.000 2.507 358 S HA -0.036 4.386 4.470 -0.079 0.000 0.235 358 S C 1.686 176.303 174.600 0.029 0.000 0.988 358 S CA 0.653 58.817 58.200 -0.059 0.000 0.944 358 S CB -0.154 62.919 63.200 -0.211 0.000 0.762 358 S HN 0.333 nan 8.310 nan 0.000 0.526 359 A N 0.529 123.365 122.820 0.026 0.000 2.337 359 A HA 0.615 4.888 4.320 -0.079 0.000 0.227 359 A C 0.577 178.184 177.584 0.038 0.000 1.259 359 A CA -0.346 51.709 52.037 0.030 0.000 0.870 359 A CB -0.191 18.815 19.000 0.009 0.000 0.927 359 A HN 0.543 nan 8.150 nan 0.000 0.497 360 L N 0.000 121.266 121.223 0.072 0.000 2.949 360 L HA 0.000 4.293 4.340 -0.079 0.000 0.249 360 L CA 0.000 54.922 54.840 0.136 0.000 0.813 360 L CB 0.000 42.159 42.059 0.167 0.000 0.961 360 L HN 0.000 nan 8.230 nan 0.000 0.502