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_D 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 0.000 177.241 177.300 -0.098 0.000 1.155 2 P CA 0.000 63.025 63.100 -0.125 0.000 0.800 2 P CB 0.000 31.564 31.700 -0.227 0.000 0.726 3 M N -0.445 119.230 119.600 0.125 0.000 2.089 3 M HA -0.137 4.343 4.480 0.000 0.000 0.257 3 M C 1.145 177.523 176.300 0.129 0.000 1.071 3 M CA 1.701 57.150 55.300 0.249 0.000 1.096 3 M CB -0.005 32.692 32.600 0.163 0.000 1.330 3 M HN 0.427 nan 8.290 nan 0.000 0.403 4 S N -0.035 115.690 115.700 0.042 0.000 2.579 4 S HA -0.026 4.444 4.470 0.000 0.000 0.275 4 S C 0.818 175.417 174.600 -0.003 0.000 1.345 4 S CA -0.309 57.908 58.200 0.028 0.000 1.031 4 S CB 0.959 64.172 63.200 0.021 0.000 0.892 4 S HN 0.370 nan 8.310 nan 0.000 0.529 5 E N 2.093 122.314 120.200 0.035 0.000 2.047 5 E HA -0.097 4.253 4.350 0.000 0.000 0.191 5 E C 1.869 178.501 176.600 0.054 0.000 0.987 5 E CA 1.139 57.570 56.400 0.051 0.000 0.799 5 E CB -0.051 29.708 29.700 0.098 0.000 0.752 5 E HN 0.645 nan 8.360 nan 0.000 0.449 6 K N 0.341 120.767 120.400 0.043 0.000 2.280 6 K HA -0.159 4.161 4.320 0.000 0.000 0.202 6 K C 2.043 178.644 176.600 0.002 0.000 1.047 6 K CA 0.942 57.252 56.287 0.038 0.000 0.942 6 K CB 0.069 32.587 32.500 0.029 0.000 0.739 6 K HN 0.201 nan 8.250 nan 0.000 0.457 7 Q N -0.055 119.728 119.800 -0.028 0.000 2.163 7 Q HA -0.059 4.282 4.340 0.000 0.000 0.198 7 Q C 1.935 177.858 176.000 -0.128 0.000 0.954 7 Q CA 0.511 56.275 55.803 -0.066 0.000 0.851 7 Q CB 0.083 28.783 28.738 -0.062 0.000 0.928 7 Q HN 0.105 nan 8.270 nan 0.000 0.459 8 L N 0.682 121.802 121.223 -0.170 0.000 2.083 8 L HA -0.110 4.230 4.340 0.000 0.000 0.209 8 L C 2.182 178.884 176.870 -0.280 0.000 1.083 8 L CA 1.735 56.418 54.840 -0.262 0.000 0.752 8 L CB -0.664 41.233 42.059 -0.271 0.000 0.899 8 L HN 0.142 nan 8.230 nan 0.000 0.433 9 A N -1.133 121.621 122.820 -0.110 0.000 1.969 9 A HA -0.245 4.075 4.320 0.000 0.000 0.218 9 A C 2.306 179.806 177.584 -0.140 0.000 1.169 9 A CA 1.714 53.682 52.037 -0.115 0.000 0.635 9 A CB -0.526 18.574 19.000 0.166 0.000 0.810 9 A HN 0.573 nan 8.150 nan 0.000 0.445 10 E N -0.160 119.986 120.200 -0.091 0.000 2.046 10 E HA -0.100 4.250 4.350 0.000 0.000 0.190 10 E C 1.806 178.348 176.600 -0.096 0.000 0.982 10 E CA 1.267 57.632 56.400 -0.060 0.000 0.800 10 E CB -0.147 29.530 29.700 -0.038 0.000 0.756 10 E HN 0.257 nan 8.360 nan 0.000 0.449 11 V N 0.972 120.801 119.914 -0.141 0.000 2.287 11 V HA -0.273 3.847 4.120 0.000 0.000 0.248 11 V C 2.466 178.458 176.094 -0.170 0.000 1.053 11 V CA 1.679 63.892 62.300 -0.144 0.000 1.027 11 V CB -0.383 31.339 31.823 -0.168 0.000 0.646 11 V HN 0.232 nan 8.190 nan 0.000 0.447 12 V N -0.019 119.719 119.914 -0.294 0.000 2.244 12 V HA -0.289 3.831 4.120 0.000 0.000 0.244 12 V C 2.439 178.444 176.094 -0.148 0.000 1.042 12 V CA 2.315 64.436 62.300 -0.298 0.000 1.006 12 V CB -0.755 30.651 31.823 -0.694 0.000 0.641 12 V HN 0.673 nan 8.190 nan 0.000 0.446 13 E N 1.008 121.180 120.200 -0.047 0.000 2.171 13 E HA -0.291 4.059 4.350 0.000 0.000 0.197 13 E C 2.338 178.935 176.600 -0.005 0.000 0.997 13 E CA 1.830 58.298 56.400 0.114 0.000 0.810 13 E CB -0.161 29.667 29.700 0.213 0.000 0.738 13 E HN 0.709 nan 8.360 nan 0.000 0.467 14 R N -0.777 119.702 120.500 -0.034 0.000 2.153 14 R HA 0.009 4.349 4.340 0.000 0.000 0.218 14 R C 1.788 178.056 176.300 -0.052 0.000 1.072 14 R CA 1.549 57.629 56.100 -0.033 0.000 0.990 14 R CB -0.313 29.971 30.300 -0.026 0.000 0.889 14 R HN 0.012 nan 8.270 nan 0.000 0.452 15 T N 0.713 115.224 114.554 -0.073 0.000 2.976 15 T HA 0.082 4.433 4.350 0.000 0.000 0.257 15 T C 1.915 176.542 174.700 -0.122 0.000 1.051 15 T CA 0.750 62.809 62.100 -0.069 0.000 1.141 15 T CB 0.158 69.001 68.868 -0.041 0.000 0.881 15 T HN -0.001 nan 8.240 nan 0.000 0.461 16 V N 1.580 121.365 119.914 -0.215 0.000 2.323 16 V HA -0.144 3.976 4.120 0.000 0.000 0.244 16 V C 2.795 178.664 176.094 -0.375 0.000 1.041 16 V CA 1.846 63.922 62.300 -0.373 0.000 1.025 16 V CB -1.006 30.358 31.823 -0.765 0.000 0.656 16 V HN 0.474 nan 8.190 nan 0.000 0.451 17 T N 1.056 115.424 114.554 -0.310 0.000 2.635 17 T HA -0.120 4.231 4.350 0.000 0.000 0.267 17 T C -0.079 174.550 174.700 -0.118 0.000 1.040 17 T CA 2.201 64.202 62.100 -0.165 0.000 1.156 17 T CB -1.291 67.566 68.868 -0.018 0.000 0.863 17 T HN 0.469 nan 8.240 nan 0.000 0.430 18 P HA 0.034 nan 4.420 nan 0.000 0.221 18 P C 1.647 178.890 177.300 -0.095 0.000 1.150 18 P CA 0.598 63.654 63.100 -0.073 0.000 0.800 18 P CB -0.156 31.515 31.700 -0.050 0.000 0.787 19 L N -0.829 120.317 121.223 -0.128 0.000 2.056 19 L HA -0.052 4.288 4.340 0.000 0.000 0.207 19 L C 2.556 179.294 176.870 -0.219 0.000 1.078 19 L CA 1.832 56.577 54.840 -0.158 0.000 0.749 19 L CB -1.034 40.924 42.059 -0.169 0.000 0.901 19 L HN -0.185 nan 8.230 nan 0.000 0.433 20 M N -1.169 118.302 119.600 -0.216 0.000 2.229 20 M HA -0.208 4.272 4.480 0.000 0.000 0.264 20 M C 2.132 178.350 176.300 -0.136 0.000 1.063 20 M CA 1.625 56.805 55.300 -0.199 0.000 1.114 20 M CB -0.242 32.261 32.600 -0.161 0.000 1.387 20 M HN 0.161 nan 8.290 nan 0.000 0.420 21 K N 0.343 120.682 120.400 -0.101 0.000 2.007 21 K HA -0.009 4.311 4.320 0.000 0.000 0.206 21 K C 2.160 178.720 176.600 -0.068 0.000 1.047 21 K CA 1.385 57.631 56.287 -0.069 0.000 0.937 21 K CB -0.277 32.193 32.500 -0.049 0.000 0.718 21 K HN 0.241 nan 8.250 nan 0.000 0.438 22 A N 1.204 123.981 122.820 -0.071 0.000 1.933 22 A HA -0.160 4.161 4.320 0.000 0.000 0.218 22 A C 1.939 179.488 177.584 -0.058 0.000 1.175 22 A CA 1.332 53.337 52.037 -0.054 0.000 0.628 22 A CB -0.190 18.783 19.000 -0.044 0.000 0.814 22 A HN 0.184 nan 8.150 nan 0.000 0.444 23 Q N -1.811 117.927 119.800 -0.103 0.000 2.392 23 Q HA 0.345 4.686 4.340 0.000 0.000 0.203 23 Q C 0.797 176.745 176.000 -0.087 0.000 0.917 23 Q CA 0.735 56.477 55.803 -0.102 0.000 0.939 23 Q CB -0.076 28.511 28.738 -0.251 0.000 1.063 23 Q HN 0.993 nan 8.270 nan 0.000 0.516 24 A N 1.195 123.958 122.820 -0.094 0.000 2.739 24 A HA -0.205 4.115 4.320 0.000 0.000 0.296 24 A C 0.016 177.545 177.584 -0.092 0.000 1.488 24 A CA 0.319 52.308 52.037 -0.081 0.000 0.746 24 A CB -2.405 16.563 19.000 -0.053 0.000 1.047 24 A HN 0.353 nan 8.150 nan 0.000 0.477 25 I N 0.381 120.874 120.570 -0.128 0.000 2.352 25 I HA 0.212 4.382 4.170 0.000 0.000 0.290 25 I C -0.693 175.379 176.117 -0.074 0.000 1.036 25 I CA -2.038 59.201 61.300 -0.101 0.000 1.336 25 I CB 1.115 39.006 38.000 -0.181 0.000 1.407 25 I HN 0.121 nan 8.210 nan 0.000 0.497 26 P HA 0.009 nan 4.420 nan 0.000 0.222 26 P C 0.427 177.752 177.300 0.042 0.000 1.147 26 P CA 0.671 63.705 63.100 -0.111 0.000 0.790 26 P CB 0.317 31.826 31.700 -0.320 0.000 0.780 27 G N -0.432 108.448 108.800 0.133 0.000 2.443 27 G HA2 0.497 4.457 3.960 0.000 0.000 0.303 27 G HA3 0.497 4.457 3.960 0.000 0.000 0.303 27 G C -1.545 173.585 174.900 0.384 0.000 1.613 27 G CA -0.769 44.489 45.100 0.263 0.000 0.879 27 G HN -0.002 nan 8.290 nan 0.000 0.632 28 M N 0.913 120.715 119.600 0.336 0.000 2.393 28 M HA 0.812 5.292 4.480 0.000 0.000 0.299 28 M C -0.159 176.342 176.300 0.335 0.000 1.103 28 M CA -1.035 54.412 55.300 0.245 0.000 0.910 28 M CB 2.444 35.123 32.600 0.131 0.000 1.659 28 M HN 0.963 nan 8.290 nan 0.000 0.445 29 A N 2.655 125.565 122.820 0.151 0.000 2.290 29 A HA 0.810 5.130 4.320 0.000 0.000 0.310 29 A C -0.569 177.147 177.584 0.220 0.000 1.202 29 A CA -0.687 51.512 52.037 0.270 0.000 0.837 29 A CB 0.980 20.150 19.000 0.283 0.000 1.139 29 A HN 0.713 nan 8.150 nan 0.000 0.509 30 V N 1.288 121.439 119.914 0.395 0.000 2.628 30 V HA 0.763 4.883 4.120 0.000 0.000 0.306 30 V C 0.238 176.624 176.094 0.486 0.000 1.045 30 V CA -0.137 62.417 62.300 0.424 0.000 0.905 30 V CB 1.766 33.901 31.823 0.520 0.000 0.997 30 V HN 1.264 nan 8.190 nan 0.000 0.436 31 A N 4.097 127.155 122.820 0.397 0.000 2.374 31 A HA 0.869 5.189 4.320 0.000 0.000 0.305 31 A C -1.206 176.557 177.584 0.299 0.000 1.053 31 A CA -0.513 51.740 52.037 0.361 0.000 0.726 31 A CB 1.797 21.004 19.000 0.344 0.000 1.229 31 A HN 0.630 nan 8.150 nan 0.000 0.431 32 V N 3.861 123.965 119.914 0.316 0.000 2.495 32 V HA 0.364 4.484 4.120 0.000 0.000 0.298 32 V C -0.613 175.614 176.094 0.222 0.000 1.031 32 V CA -0.569 61.882 62.300 0.252 0.000 0.871 32 V CB 1.585 33.562 31.823 0.258 0.000 0.988 32 V HN 0.711 nan 8.190 nan 0.000 0.432 33 I N 5.228 125.887 120.570 0.149 0.000 2.291 33 I HA 0.284 4.455 4.170 0.000 0.000 0.290 33 I C -0.692 175.544 176.117 0.198 0.000 1.050 33 I CA -0.520 60.847 61.300 0.112 0.000 1.245 33 I CB 0.195 38.190 38.000 -0.008 0.000 1.405 33 I HN 0.597 nan 8.210 nan 0.000 0.478 34 Y N 5.861 126.236 120.300 0.125 0.000 2.388 34 Y HA 0.316 4.866 4.550 0.000 0.000 0.328 34 Y C 0.292 176.240 175.900 0.080 0.000 0.963 34 Y CA -0.968 57.180 58.100 0.081 0.000 1.240 34 Y CB 0.508 38.983 38.460 0.024 0.000 1.118 34 Y HN 0.662 nan 8.280 nan 0.000 0.484 35 E N 3.787 123.869 120.200 -0.197 0.000 3.117 35 E HA -0.195 4.155 4.350 0.000 0.000 0.156 35 E C 0.979 177.524 176.600 -0.091 0.000 1.699 35 E CA 0.626 56.898 56.400 -0.214 0.000 0.728 35 E CB -0.977 28.537 29.700 -0.310 0.000 1.091 35 E HN 1.188 nan 8.360 nan 0.000 0.369 36 G N 1.865 110.616 108.800 -0.081 0.000 2.454 36 G HA2 -0.344 3.616 3.960 0.000 0.000 0.323 36 G HA3 -0.344 3.616 3.960 0.000 0.000 0.323 36 G C 0.181 175.040 174.900 -0.068 0.000 0.933 36 G CA 1.257 46.309 45.100 -0.080 0.000 0.803 36 G HN 0.345 nan 8.290 nan 0.000 0.511 37 Q N -0.468 119.312 119.800 -0.034 0.000 2.356 37 Q HA 0.412 4.752 4.340 0.000 0.000 0.270 37 Q C -2.649 173.262 176.000 -0.148 0.000 1.058 37 Q CA -2.192 53.554 55.803 -0.095 0.000 0.802 37 Q CB 2.880 31.558 28.738 -0.100 0.000 1.303 37 Q HN 0.194 nan 8.270 nan 0.000 0.444 38 P HA 0.246 nan 4.420 nan 0.000 0.281 38 P C -1.054 175.738 177.300 -0.845 0.000 1.252 38 P CA -0.118 62.722 63.100 -0.433 0.000 0.778 38 P CB 0.607 32.079 31.700 -0.379 0.000 0.895 39 H N 1.745 120.487 119.070 -0.546 0.000 2.600 39 H HA 0.519 5.075 4.556 0.000 0.000 0.357 39 H C -0.682 174.156 175.328 -0.817 0.000 1.106 39 H CA -0.211 55.483 56.048 -0.589 0.000 1.193 39 H CB 1.080 30.753 29.762 -0.148 0.000 1.594 39 H HN 0.316 nan 8.280 nan 0.000 0.526 40 Y N 2.211 122.164 120.300 -0.579 0.000 2.393 40 Y HA 0.510 5.060 4.550 0.000 0.000 0.341 40 Y C -0.990 174.283 175.900 -1.046 0.000 0.988 40 Y CA -1.305 56.462 58.100 -0.556 0.000 1.078 40 Y CB 0.981 39.286 38.460 -0.258 0.000 1.203 40 Y HN 0.457 nan 8.280 nan 0.000 0.453 41 F N 0.311 120.403 119.950 0.236 0.000 2.574 41 F HA 0.628 5.155 4.527 0.000 0.000 0.313 41 F C -0.335 175.466 175.800 0.002 0.000 1.130 41 F CA -1.115 56.912 58.000 0.044 0.000 0.936 41 F CB 2.164 41.247 39.000 0.139 0.000 1.219 41 F HN 0.362 nan 8.300 nan 0.000 0.445 42 T N -0.421 114.028 114.554 -0.175 0.000 2.841 42 T HA 0.861 5.211 4.350 0.000 0.000 0.283 42 T C -1.182 173.284 174.700 -0.389 0.000 1.000 42 T CA -0.728 61.334 62.100 -0.064 0.000 0.977 42 T CB 1.401 70.282 68.868 0.021 0.000 0.979 42 T HN 0.283 nan 8.240 nan 0.000 0.446 43 F N 0.609 120.668 119.950 0.181 0.000 2.601 43 F HA 0.764 5.291 4.527 0.000 0.000 0.309 43 F C 1.059 176.940 175.800 0.135 0.000 1.089 43 F CA 0.004 58.087 58.000 0.139 0.000 0.940 43 F CB 1.844 40.915 39.000 0.118 0.000 1.273 43 F HN 1.217 nan 8.300 nan 0.000 0.450 44 G N 2.368 111.332 108.800 0.274 0.000 2.562 44 G HA2 -0.195 3.766 3.960 0.000 0.000 0.250 44 G HA3 -0.195 3.766 3.960 0.000 0.000 0.250 44 G C -1.113 173.877 174.900 0.149 0.000 1.269 44 G CA -0.670 44.538 45.100 0.180 0.000 0.919 44 G HN 0.669 nan 8.290 nan 0.000 0.574 45 K N 0.177 120.649 120.400 0.120 0.000 2.244 45 K HA 0.714 5.034 4.320 0.000 0.000 0.260 45 K C 1.051 177.744 176.600 0.155 0.000 0.951 45 K CA -0.109 56.246 56.287 0.113 0.000 0.826 45 K CB 1.856 34.393 32.500 0.062 0.000 1.108 45 K HN 0.860 nan 8.250 nan 0.000 0.433 46 A N 1.852 124.771 122.820 0.164 0.000 1.970 46 A HA -0.049 4.272 4.320 0.000 0.000 0.216 46 A C 0.316 178.067 177.584 0.279 0.000 1.170 46 A CA 1.247 53.383 52.037 0.164 0.000 0.645 46 A CB 0.068 19.123 19.000 0.092 0.000 0.816 46 A HN 0.688 nan 8.150 nan 0.000 0.447 47 D N -1.013 119.546 120.400 0.265 0.000 2.575 47 D HA 0.398 5.038 4.640 0.000 0.000 0.250 47 D C 0.580 177.010 176.300 0.217 0.000 1.279 47 D CA -0.329 53.870 54.000 0.332 0.000 0.925 47 D CB 1.865 42.843 40.800 0.296 0.000 1.261 47 D HN -0.115 nan 8.370 nan 0.000 0.567 48 V N 3.427 123.501 119.914 0.267 0.000 2.488 48 V HA -0.066 4.054 4.120 0.000 0.000 0.246 48 V C 2.414 178.540 176.094 0.052 0.000 1.046 48 V CA 1.883 64.226 62.300 0.072 0.000 1.053 48 V CB -0.488 31.248 31.823 -0.145 0.000 0.679 48 V HN 0.670 nan 8.190 nan 0.000 0.458 49 A N 0.291 123.141 122.820 0.050 0.000 1.877 49 A HA -0.044 4.277 4.320 0.000 0.000 0.216 49 A C 2.230 179.811 177.584 -0.004 0.000 1.186 49 A CA 1.920 53.950 52.037 -0.013 0.000 0.620 49 A CB -0.673 18.278 19.000 -0.082 0.000 0.822 49 A HN 0.571 nan 8.150 nan 0.000 0.443 50 A N -1.202 121.627 122.820 0.014 0.000 2.238 50 A HA 0.165 4.485 4.320 0.000 0.000 0.208 50 A C 0.914 178.522 177.584 0.040 0.000 1.177 50 A CA 0.658 52.711 52.037 0.026 0.000 0.804 50 A CB -0.847 18.180 19.000 0.045 0.000 0.823 50 A HN 0.753 nan 8.150 nan 0.000 0.482 51 N N -0.291 118.435 118.700 0.045 0.000 2.714 51 N HA -0.156 4.584 4.740 0.000 0.000 0.252 51 N C -0.963 174.581 175.510 0.056 0.000 1.014 51 N CA 0.562 53.638 53.050 0.043 0.000 0.735 51 N CB -0.726 37.776 38.487 0.025 0.000 0.924 51 N HN 0.585 nan 8.380 nan 0.000 0.540 52 K N 1.382 121.830 120.400 0.080 0.000 2.234 52 K HA 0.341 4.661 4.320 0.000 0.000 0.277 52 K C -2.187 174.469 176.600 0.093 0.000 1.038 52 K CA -1.420 54.917 56.287 0.084 0.000 0.888 52 K CB 1.355 33.913 32.500 0.096 0.000 1.091 52 K HN 0.189 nan 8.250 nan 0.000 0.467 53 P HA -0.021 nan 4.420 nan 0.000 0.270 53 P C -0.101 177.266 177.300 0.111 0.000 1.223 53 P CA -0.319 62.835 63.100 0.090 0.000 0.785 53 P CB 0.639 32.380 31.700 0.069 0.000 0.923 54 V N 2.350 122.350 119.914 0.143 0.000 2.649 54 V HA 0.244 4.365 4.120 0.000 0.000 0.292 54 V C 0.937 177.113 176.094 0.137 0.000 1.055 54 V CA 0.678 63.087 62.300 0.183 0.000 1.023 54 V CB 0.833 32.846 31.823 0.317 0.000 0.992 54 V HN 0.663 nan 8.190 nan 0.000 0.480 55 T N 5.891 120.519 114.554 0.124 0.000 2.901 55 T HA 0.412 4.763 4.350 0.000 0.000 0.293 55 T C -2.281 172.437 174.700 0.031 0.000 1.084 55 T CA -1.081 61.055 62.100 0.060 0.000 1.008 55 T CB 2.114 71.016 68.868 0.057 0.000 1.170 55 T HN 0.418 nan 8.240 nan 0.000 0.509 56 P HA 0.113 nan 4.420 nan 0.000 0.247 56 P C 0.447 177.633 177.300 -0.188 0.000 1.225 56 P CA 0.681 63.674 63.100 -0.178 0.000 0.768 56 P CB 0.100 31.581 31.700 -0.366 0.000 1.020 57 Q N -2.414 117.295 119.800 -0.151 0.000 2.246 57 Q HA 0.111 4.452 4.340 0.000 0.000 0.222 57 Q C 0.234 176.152 176.000 -0.136 0.000 0.851 57 Q CA 0.111 55.753 55.803 -0.269 0.000 0.945 57 Q CB 0.009 28.431 28.738 -0.527 0.000 1.122 57 Q HN 0.035 nan 8.270 nan 0.000 0.508 58 T N 2.129 116.696 114.554 0.022 0.000 2.871 58 T HA 0.090 4.440 4.350 0.000 0.000 0.296 58 T C 0.037 174.754 174.700 0.030 0.000 0.998 58 T CA 0.271 62.394 62.100 0.037 0.000 1.162 58 T CB 0.213 69.072 68.868 -0.016 0.000 0.947 58 T HN 0.163 nan 8.240 nan 0.000 0.536 59 L N 4.226 125.456 121.223 0.011 0.000 2.331 59 L HA 0.463 4.803 4.340 0.000 0.000 0.278 59 L C -0.283 176.546 176.870 -0.067 0.000 1.106 59 L CA -0.335 54.510 54.840 0.008 0.000 0.824 59 L CB 0.259 42.271 42.059 -0.077 0.000 1.142 59 L HN 0.534 nan 8.230 nan 0.000 0.443 60 F N 0.533 120.491 119.950 0.013 0.000 2.579 60 F HA 0.371 4.898 4.527 0.000 0.000 0.324 60 F C 0.355 175.899 175.800 -0.427 0.000 1.058 60 F CA -0.861 57.101 58.000 -0.063 0.000 0.944 60 F CB 1.505 40.607 39.000 0.169 0.000 1.245 60 F HN 0.387 nan 8.300 nan 0.000 0.477 61 E N 1.726 121.401 120.200 -0.874 0.000 2.259 61 E HA 0.143 4.493 4.350 0.000 0.000 0.281 61 E C 0.122 176.638 176.600 -0.139 0.000 1.037 61 E CA -0.297 55.778 56.400 -0.540 0.000 0.854 61 E CB 1.093 30.385 29.700 -0.681 0.000 1.051 61 E HN 0.441 nan 8.360 nan 0.000 0.409 62 L N 3.156 124.355 121.223 -0.040 0.000 2.478 62 L HA 0.038 4.378 4.340 0.000 0.000 0.223 62 L C 1.273 178.212 176.870 0.115 0.000 1.140 62 L CA 1.561 56.437 54.840 0.061 0.000 0.842 62 L CB -1.132 40.948 42.059 0.035 0.000 0.953 62 L HN 0.909 nan 8.230 nan 0.000 0.452 63 G N -0.871 108.000 108.800 0.118 0.000 2.594 63 G HA2 -0.426 3.534 3.960 0.000 0.000 0.297 63 G HA3 -0.426 3.534 3.960 0.000 0.000 0.297 63 G C 1.197 176.217 174.900 0.199 0.000 1.273 63 G CA 0.492 45.700 45.100 0.180 0.000 0.974 63 G HN 0.210 nan 8.290 nan 0.000 0.552 64 S N 0.073 115.897 115.700 0.207 0.000 2.440 64 S HA -0.097 4.374 4.470 0.000 0.000 0.240 64 S C 2.344 177.051 174.600 0.178 0.000 1.014 64 S CA 1.609 59.945 58.200 0.226 0.000 0.980 64 S CB -0.302 63.062 63.200 0.274 0.000 0.775 64 S HN 0.480 nan 8.310 nan 0.000 0.499 65 I N 1.508 122.167 120.570 0.147 0.000 2.700 65 I HA -0.147 4.023 4.170 0.000 0.000 0.261 65 I C 1.930 178.145 176.117 0.163 0.000 1.219 65 I CA 0.611 61.976 61.300 0.109 0.000 1.463 65 I CB -0.406 37.674 38.000 0.134 0.000 1.092 65 I HN 0.200 nan 8.210 nan 0.000 0.452 66 S N 0.655 116.465 115.700 0.182 0.000 2.465 66 S HA -0.178 4.292 4.470 0.000 0.000 0.241 66 S C 1.822 176.560 174.600 0.231 0.000 1.000 66 S CA 1.059 59.392 58.200 0.221 0.000 0.964 66 S CB -0.239 63.012 63.200 0.086 0.000 0.763 66 S HN 0.470 nan 8.310 nan 0.000 0.512 67 K N 1.000 121.488 120.400 0.148 0.000 2.283 67 K HA -0.063 4.257 4.320 0.000 0.000 0.202 67 K C 2.432 179.053 176.600 0.035 0.000 1.048 67 K CA 1.477 57.833 56.287 0.115 0.000 0.948 67 K CB -0.308 32.277 32.500 0.143 0.000 0.742 67 K HN 0.604 nan 8.250 nan 0.000 0.458 68 T N -1.688 112.802 114.554 -0.106 0.000 2.985 68 T HA -0.052 4.298 4.350 0.000 0.000 0.266 68 T C 1.672 176.389 174.700 0.028 0.000 1.076 68 T CA 0.649 62.538 62.100 -0.352 0.000 1.135 68 T CB -0.270 67.989 68.868 -1.015 0.000 0.890 68 T HN 0.001 nan 8.240 nan 0.000 0.480 69 F N 2.362 122.365 119.950 0.088 0.000 2.163 69 F HA 0.063 4.590 4.527 0.000 0.000 0.297 69 F C 2.945 178.818 175.800 0.121 0.000 1.094 69 F CA 1.369 59.384 58.000 0.026 0.000 1.290 69 F CB -0.918 37.981 39.000 -0.168 0.000 1.017 69 F HN 0.152 nan 8.300 nan 0.000 0.483 70 T N -0.918 113.826 114.554 0.317 0.000 2.867 70 T HA -0.106 4.244 4.350 0.000 0.000 0.268 70 T C 2.318 177.197 174.700 0.299 0.000 1.057 70 T CA 1.282 63.564 62.100 0.303 0.000 1.136 70 T CB -0.920 68.104 68.868 0.259 0.000 0.874 70 T HN 0.428 nan 8.240 nan 0.000 0.466 71 G N 0.824 109.772 108.800 0.247 0.000 2.408 71 G HA2 -0.079 3.881 3.960 0.000 0.000 0.215 71 G HA3 -0.079 3.881 3.960 0.000 0.000 0.215 71 G C 1.654 176.705 174.900 0.251 0.000 1.156 71 G CA 0.368 45.611 45.100 0.239 0.000 0.793 71 G HN 0.424 nan 8.290 nan 0.000 0.535 72 V N 0.641 120.713 119.914 0.264 0.000 2.427 72 V HA -0.082 4.038 4.120 0.000 0.000 0.248 72 V C 2.632 178.843 176.094 0.194 0.000 1.051 72 V CA 1.517 63.976 62.300 0.266 0.000 1.048 72 V CB -0.185 31.883 31.823 0.408 0.000 0.666 72 V HN 0.357 nan 8.190 nan 0.000 0.456 73 L N 0.995 122.318 121.223 0.167 0.000 2.156 73 L HA 0.078 4.418 4.340 0.000 0.000 0.208 73 L C 2.263 179.141 176.870 0.014 0.000 1.095 73 L CA 2.223 57.091 54.840 0.046 0.000 0.770 73 L CB -1.034 41.005 42.059 -0.035 0.000 0.914 73 L HN 0.243 nan 8.230 nan 0.000 0.439 74 G N -0.888 107.967 108.800 0.092 0.000 2.404 74 G HA2 -0.189 3.771 3.960 0.000 0.000 0.215 74 G HA3 -0.189 3.771 3.960 0.000 0.000 0.215 74 G C 1.522 176.493 174.900 0.118 0.000 1.174 74 G CA 0.504 45.639 45.100 0.059 0.000 0.780 74 G HN 0.557 nan 8.290 nan 0.000 0.537 75 G N 0.697 109.599 108.800 0.169 0.000 2.440 75 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 75 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 75 G C 1.444 176.394 174.900 0.083 0.000 1.154 75 G CA 1.468 46.651 45.100 0.138 0.000 0.767 75 G HN 0.504 nan 8.290 nan 0.000 0.552 76 D N 0.715 121.152 120.400 0.061 0.000 2.104 76 D HA -0.016 4.624 4.640 0.000 0.000 0.194 76 D C 2.685 178.984 176.300 -0.002 0.000 0.994 76 D CA 1.690 55.705 54.000 0.025 0.000 0.830 76 D CB -0.363 40.442 40.800 0.008 0.000 0.959 76 D HN 0.240 nan 8.370 nan 0.000 0.452 77 A N -0.034 122.769 122.820 -0.029 0.000 1.972 77 A HA -0.108 4.212 4.320 0.000 0.000 0.219 77 A C 2.403 179.974 177.584 -0.022 0.000 1.169 77 A CA 1.148 53.152 52.037 -0.055 0.000 0.635 77 A CB -0.788 18.138 19.000 -0.123 0.000 0.810 77 A HN 0.418 nan 8.150 nan 0.000 0.446 78 I N -0.330 120.247 120.570 0.012 0.000 2.142 78 I HA -0.300 3.870 4.170 0.000 0.000 0.240 78 I C 3.039 179.179 176.117 0.039 0.000 1.078 78 I CA 1.121 62.446 61.300 0.042 0.000 1.343 78 I CB -0.470 37.580 38.000 0.085 0.000 1.046 78 I HN 0.362 nan 8.210 nan 0.000 0.405 79 A N 0.986 123.829 122.820 0.037 0.000 1.873 79 A HA -0.249 4.072 4.320 0.000 0.000 0.218 79 A C 2.281 179.876 177.584 0.018 0.000 1.193 79 A CA 1.777 53.832 52.037 0.030 0.000 0.629 79 A CB -0.777 18.240 19.000 0.028 0.000 0.826 79 A HN 0.370 nan 8.150 nan 0.000 0.447 80 R N -0.997 119.508 120.500 0.008 0.000 2.377 80 R HA 0.064 4.404 4.340 0.000 0.000 0.207 80 R C 1.334 177.640 176.300 0.009 0.000 1.075 80 R CA 0.500 56.601 56.100 0.001 0.000 1.035 80 R CB -0.545 29.747 30.300 -0.013 0.000 0.857 80 R HN 0.805 nan 8.270 nan 0.000 0.475 81 G N 1.214 110.026 108.800 0.020 0.000 2.203 81 G HA2 -0.333 3.627 3.960 0.000 0.000 0.263 81 G HA3 -0.333 3.627 3.960 0.000 0.000 0.263 81 G C 0.523 175.447 174.900 0.040 0.000 1.012 81 G CA 0.768 45.888 45.100 0.033 0.000 0.749 81 G HN 0.485 nan 8.290 nan 0.000 0.512 82 E N -0.791 119.423 120.200 0.023 0.000 2.158 82 E HA 0.207 4.557 4.350 0.000 0.000 0.191 82 E C 1.545 178.183 176.600 0.064 0.000 0.982 82 E CA 1.107 57.525 56.400 0.029 0.000 0.823 82 E CB 0.131 29.821 29.700 -0.017 0.000 0.766 82 E HN 0.920 nan 8.360 nan 0.000 0.468 83 I N -3.890 116.684 120.570 0.007 0.000 3.108 83 I HA 0.584 4.755 4.170 0.000 0.000 0.312 83 I C -0.618 175.545 176.117 0.075 0.000 1.095 83 I CA -1.036 60.243 61.300 -0.035 0.000 1.000 83 I CB 2.510 40.298 38.000 -0.352 0.000 1.229 83 I HN -0.328 nan 8.210 nan 0.000 0.454 84 S N 1.722 117.509 115.700 0.145 0.000 2.572 84 S HA 0.523 4.993 4.470 0.000 0.000 0.274 84 S C 0.358 175.068 174.600 0.184 0.000 1.150 84 S CA -0.756 57.542 58.200 0.162 0.000 0.944 84 S CB 1.417 64.724 63.200 0.178 0.000 1.071 84 S HN 0.775 nan 8.310 nan 0.000 0.479 85 L N 3.547 124.867 121.223 0.162 0.000 2.191 85 L HA 0.064 4.404 4.340 0.000 0.000 0.212 85 L C 2.505 179.475 176.870 0.166 0.000 1.103 85 L CA 1.507 56.442 54.840 0.159 0.000 0.769 85 L CB -0.488 41.642 42.059 0.118 0.000 0.908 85 L HN 0.829 nan 8.230 nan 0.000 0.438 86 G N -1.094 107.799 108.800 0.154 0.000 2.572 86 G HA2 -0.105 3.856 3.960 0.000 0.000 0.216 86 G HA3 -0.105 3.856 3.960 0.000 0.000 0.216 86 G C 0.293 175.288 174.900 0.158 0.000 1.133 86 G CA -0.092 45.092 45.100 0.140 0.000 0.791 86 G HN 0.242 nan 8.290 nan 0.000 0.538 87 D N 1.138 121.657 120.400 0.199 0.000 2.378 87 D HA 0.240 4.880 4.640 0.000 0.000 0.238 87 D C -1.888 174.539 176.300 0.212 0.000 1.180 87 D CA -1.184 52.937 54.000 0.201 0.000 0.895 87 D CB 0.971 41.946 40.800 0.292 0.000 1.192 87 D HN 0.107 nan 8.370 nan 0.000 0.438 88 P HA 0.049 nan 4.420 nan 0.000 0.276 88 P C 0.715 178.149 177.300 0.223 0.000 1.252 88 P CA -0.469 62.740 63.100 0.182 0.000 0.802 88 P CB 0.931 32.711 31.700 0.133 0.000 1.035 89 V N 1.094 121.168 119.914 0.267 0.000 2.407 89 V HA -0.201 3.920 4.120 0.000 0.000 0.248 89 V C 2.393 178.581 176.094 0.158 0.000 1.055 89 V CA 2.468 64.920 62.300 0.253 0.000 1.049 89 V CB -1.886 30.075 31.823 0.231 0.000 0.662 89 V HN 0.606 nan 8.190 nan 0.000 0.455 90 T N -0.486 114.122 114.554 0.090 0.000 2.897 90 T HA -0.249 4.101 4.350 0.000 0.000 0.271 90 T C 1.888 176.573 174.700 -0.024 0.000 1.084 90 T CA 1.623 63.733 62.100 0.017 0.000 1.123 90 T CB -0.228 68.647 68.868 0.012 0.000 0.865 90 T HN 0.528 nan 8.240 nan 0.000 0.496 91 K N 0.211 120.541 120.400 -0.116 0.000 2.097 91 K HA -0.100 4.221 4.320 0.000 0.000 0.205 91 K C 1.194 177.537 176.600 -0.428 0.000 1.050 91 K CA 1.284 57.358 56.287 -0.354 0.000 0.938 91 K CB -0.090 32.038 32.500 -0.619 0.000 0.718 91 K HN 0.434 nan 8.250 nan 0.000 0.442 92 Y N -2.364 117.966 120.300 0.050 0.000 2.457 92 Y HA 0.100 4.650 4.550 0.000 0.000 0.263 92 Y C 0.128 176.083 175.900 0.092 0.000 1.164 92 Y CA -0.404 57.713 58.100 0.029 0.000 1.274 92 Y CB 0.468 38.915 38.460 -0.022 0.000 1.097 92 Y HN 0.127 nan 8.280 nan 0.000 0.523 93 W N 2.931 124.214 121.300 -0.029 0.000 2.073 93 W HA 0.363 5.023 4.660 0.000 0.000 0.295 93 W C -2.324 174.132 176.519 -0.104 0.000 1.005 93 W CA -3.508 53.787 57.345 -0.084 0.000 1.451 93 W CB 0.857 30.224 29.460 -0.155 0.000 1.515 93 W HN -0.164 nan 8.180 nan 0.000 0.341 94 P HA -0.268 nan 4.420 nan 0.000 0.217 94 P C 0.847 178.075 177.300 -0.121 0.000 1.151 94 P CA 2.125 65.215 63.100 -0.018 0.000 0.849 94 P CB 0.409 32.114 31.700 0.009 0.000 0.787 95 E N -0.923 119.162 120.200 -0.192 0.000 2.510 95 E HA -0.067 4.283 4.350 0.000 0.000 0.202 95 E C 0.740 177.043 176.600 -0.494 0.000 1.072 95 E CA 0.258 56.476 56.400 -0.302 0.000 0.883 95 E CB -0.857 28.694 29.700 -0.249 0.000 0.818 95 E HN 0.153 nan 8.360 nan 0.000 0.548 96 L N 1.629 122.493 121.223 -0.598 0.000 2.583 96 L HA 0.093 4.433 4.340 0.000 0.000 0.239 96 L C 0.720 177.429 176.870 -0.269 0.000 1.347 96 L CA 0.341 54.813 54.840 -0.613 0.000 1.246 96 L CB -0.650 40.926 42.059 -0.804 0.000 1.496 96 L HN 0.054 nan 8.230 nan 0.000 0.413 97 T N -2.856 111.593 114.554 -0.175 0.000 3.194 97 T HA 0.182 4.532 4.350 0.000 0.000 0.251 97 T C 1.008 175.713 174.700 0.009 0.000 1.132 97 T CA 0.066 62.129 62.100 -0.062 0.000 1.028 97 T CB -0.253 68.579 68.868 -0.059 0.000 0.976 97 T HN 0.435 nan 8.240 nan 0.000 0.535 98 G N 0.812 109.648 108.800 0.059 0.000 2.594 98 G HA2 0.274 4.234 3.960 0.000 0.000 0.243 98 G HA3 0.274 4.234 3.960 0.000 0.000 0.243 98 G C 0.623 175.630 174.900 0.178 0.000 1.229 98 G CA -0.717 44.473 45.100 0.149 0.000 0.843 98 G HN 0.267 nan 8.290 nan 0.000 0.578 99 K N 0.081 120.544 120.400 0.106 0.000 2.103 99 K HA -0.116 4.205 4.320 0.000 0.000 0.204 99 K C 2.742 179.364 176.600 0.037 0.000 1.052 99 K CA 1.484 57.806 56.287 0.060 0.000 0.945 99 K CB 0.043 32.550 32.500 0.012 0.000 0.722 99 K HN 0.591 nan 8.250 nan 0.000 0.443 100 Q N -0.521 119.266 119.800 -0.022 0.000 2.170 100 Q HA -0.161 4.179 4.340 0.000 0.000 0.203 100 Q C 1.185 177.084 176.000 -0.168 0.000 0.976 100 Q CA 1.349 57.038 55.803 -0.191 0.000 0.858 100 Q CB -0.534 27.943 28.738 -0.434 0.000 0.907 100 Q HN 0.363 nan 8.270 nan 0.000 0.433 101 W N 1.543 122.895 121.300 0.087 0.000 3.077 101 W HA 0.074 4.734 4.660 0.000 0.000 0.245 101 W C 1.959 178.537 176.519 0.098 0.000 1.316 101 W CA 0.070 57.498 57.345 0.137 0.000 1.537 101 W CB 0.059 29.586 29.460 0.112 0.000 1.131 101 W HN 0.265 nan 8.180 nan 0.000 0.695 102 Q N -0.143 119.787 119.800 0.217 0.000 1.998 102 Q HA -0.193 4.148 4.340 0.000 0.000 0.209 102 Q C 2.066 178.160 176.000 0.158 0.000 1.002 102 Q CA 2.032 57.930 55.803 0.159 0.000 0.858 102 Q CB -0.772 28.020 28.738 0.090 0.000 0.932 102 Q HN 0.350 nan 8.270 nan 0.000 0.416 103 G N -0.238 108.642 108.800 0.133 0.000 3.337 103 G HA2 0.195 4.155 3.960 0.000 0.000 0.246 103 G HA3 0.195 4.155 3.960 0.000 0.000 0.246 103 G C 0.370 175.372 174.900 0.170 0.000 1.131 103 G CA -0.335 44.846 45.100 0.136 0.000 0.773 103 G HN 0.127 nan 8.290 nan 0.000 0.544 104 I N 1.287 121.989 120.570 0.219 0.000 2.533 104 I HA 0.320 4.490 4.170 0.000 0.000 0.284 104 I C 0.373 176.659 176.117 0.282 0.000 1.109 104 I CA -0.316 61.139 61.300 0.258 0.000 1.412 104 I CB 0.530 38.737 38.000 0.345 0.000 1.396 104 I HN 0.012 nan 8.210 nan 0.000 0.543 105 R N 4.621 125.271 120.500 0.249 0.000 2.691 105 R HA 0.433 4.773 4.340 0.000 0.000 0.259 105 R C 1.237 177.684 176.300 0.246 0.000 1.048 105 R CA -0.771 55.474 56.100 0.240 0.000 1.086 105 R CB 0.723 31.150 30.300 0.212 0.000 1.166 105 R HN 0.399 nan 8.270 nan 0.000 0.526 106 M N 0.691 120.445 119.600 0.256 0.000 2.082 106 M HA -0.153 4.327 4.480 0.000 0.000 0.258 106 M C 1.940 178.337 176.300 0.163 0.000 1.069 106 M CA 1.602 57.064 55.300 0.271 0.000 1.102 106 M CB -0.938 31.830 32.600 0.280 0.000 1.336 106 M HN 0.569 nan 8.290 nan 0.000 0.404 107 L N 1.230 122.521 121.223 0.113 0.000 2.021 107 L HA -0.255 4.085 4.340 0.000 0.000 0.215 107 L C 1.865 178.752 176.870 0.030 0.000 1.074 107 L CA 2.114 56.964 54.840 0.018 0.000 0.760 107 L CB -1.031 41.111 42.059 0.138 0.000 0.889 107 L HN 0.290 nan 8.230 nan 0.000 0.433 108 D N -0.536 119.948 120.400 0.140 0.000 2.117 108 D HA -0.200 4.441 4.640 0.000 0.000 0.197 108 D C 2.349 178.637 176.300 -0.021 0.000 0.987 108 D CA 1.725 55.778 54.000 0.087 0.000 0.829 108 D CB -0.188 40.699 40.800 0.145 0.000 0.961 108 D HN 0.425 nan 8.370 nan 0.000 0.460 109 L N 0.898 122.141 121.223 0.034 0.000 2.017 109 L HA -0.153 4.187 4.340 0.000 0.000 0.208 109 L C 2.673 179.428 176.870 -0.193 0.000 1.073 109 L CA 1.123 55.974 54.840 0.019 0.000 0.745 109 L CB -0.545 41.610 42.059 0.159 0.000 0.894 109 L HN -0.021 nan 8.230 nan 0.000 0.432 110 A N -0.203 122.328 122.820 -0.483 0.000 1.978 110 A HA -0.182 4.138 4.320 0.000 0.000 0.220 110 A C 1.915 178.990 177.584 -0.849 0.000 1.170 110 A CA 2.148 53.552 52.037 -1.055 0.000 0.636 110 A CB -0.724 17.197 19.000 -1.798 0.000 0.810 110 A HN 0.523 nan 8.150 nan 0.000 0.448 111 T N -6.168 107.991 114.554 -0.659 0.000 3.293 111 T HA 0.390 4.740 4.350 0.000 0.000 0.276 111 T C 0.054 174.367 174.700 -0.645 0.000 1.003 111 T CA -0.088 61.567 62.100 -0.742 0.000 0.916 111 T CB -0.639 68.080 68.868 -0.248 0.000 1.134 111 T HN 0.626 nan 8.240 nan 0.000 0.530 112 Y N -1.249 118.936 120.300 -0.191 0.000 4.324 112 Y HA -0.227 4.323 4.550 0.000 0.000 0.224 112 Y C 1.407 177.176 175.900 -0.219 0.000 1.113 112 Y CA 0.550 58.548 58.100 -0.171 0.000 1.887 112 Y CB -3.023 35.361 38.460 -0.128 0.000 1.602 112 Y HN 0.487 nan 8.280 nan 0.000 0.654 113 T N -1.725 112.707 114.554 -0.202 0.000 3.085 113 T HA 0.529 4.880 4.350 0.000 0.000 0.264 113 T C 1.589 176.218 174.700 -0.119 0.000 1.019 113 T CA 0.550 62.456 62.100 -0.324 0.000 0.910 113 T CB -0.094 68.232 68.868 -0.904 0.000 1.059 113 T HN 0.513 nan 8.240 nan 0.000 0.542 114 A N 0.501 123.322 122.820 0.002 0.000 2.216 114 A HA 0.455 4.775 4.320 0.000 0.000 0.214 114 A C 1.671 179.395 177.584 0.234 0.000 1.160 114 A CA 0.908 53.003 52.037 0.097 0.000 0.725 114 A CB -0.632 18.392 19.000 0.039 0.000 0.784 114 A HN 0.983 nan 8.150 nan 0.000 0.472 115 G N -3.066 105.890 108.800 0.259 0.000 2.237 115 G HA2 0.366 4.326 3.960 0.000 0.000 0.153 115 G HA3 0.366 4.326 3.960 0.000 0.000 0.153 115 G C 1.032 176.307 174.900 0.624 0.000 1.039 115 G CA 0.376 45.719 45.100 0.406 0.000 0.719 115 G HN 2.033 nan 8.290 nan 0.000 0.491 116 G N -1.119 108.030 108.800 0.582 0.000 2.135 116 G HA2 -0.095 3.865 3.960 0.000 0.000 0.183 116 G HA3 -0.095 3.865 3.960 0.000 0.000 0.183 116 G C 0.504 175.705 174.900 0.500 0.000 1.004 116 G CA -0.002 45.468 45.100 0.616 0.000 0.677 116 G HN 1.306 nan 8.290 nan 0.000 0.512 117 L N 1.889 123.221 121.223 0.183 0.000 2.543 117 L HA 0.204 4.544 4.340 0.000 0.000 0.285 117 L C -0.716 176.211 176.870 0.096 0.000 1.236 117 L CA -1.013 53.722 54.840 -0.175 0.000 0.871 117 L CB 0.259 42.165 42.059 -0.255 0.000 1.121 117 L HN 0.115 nan 8.230 nan 0.000 0.501 118 P HA -0.040 nan 4.420 nan 0.000 0.272 118 P C 0.502 177.871 177.300 0.114 0.000 1.240 118 P CA -0.529 62.671 63.100 0.167 0.000 0.791 118 P CB 0.836 32.654 31.700 0.196 0.000 0.978 119 L N -0.000 121.280 121.223 0.096 0.000 2.043 119 L HA -0.127 4.213 4.340 0.000 0.000 0.212 119 L C 0.772 177.670 176.870 0.046 0.000 1.075 119 L CA 2.118 56.997 54.840 0.066 0.000 0.752 119 L CB -0.775 41.331 42.059 0.079 0.000 0.891 119 L HN 0.333 nan 8.230 nan 0.000 0.432 120 Q N -0.708 119.116 119.800 0.041 0.000 2.377 120 Q HA 0.412 4.752 4.340 0.000 0.000 0.271 120 Q C -0.968 175.020 176.000 -0.019 0.000 1.077 120 Q CA -0.787 55.025 55.803 0.015 0.000 0.820 120 Q CB 2.098 30.824 28.738 -0.021 0.000 1.347 120 Q HN -0.086 nan 8.270 nan 0.000 0.444 121 V N 4.172 124.061 119.914 -0.041 0.000 2.508 121 V HA 0.168 4.288 4.120 0.000 0.000 0.281 121 V C -1.903 174.035 176.094 -0.261 0.000 1.041 121 V CA -1.167 60.991 62.300 -0.236 0.000 1.016 121 V CB 0.605 32.339 31.823 -0.148 0.000 0.984 121 V HN 0.610 nan 8.190 nan 0.000 0.478 122 P HA 0.028 nan 4.420 nan 0.000 0.264 122 P C 0.098 177.289 177.300 -0.182 0.000 1.183 122 P CA -0.041 62.904 63.100 -0.259 0.000 0.763 122 P CB 0.496 32.010 31.700 -0.309 0.000 0.807 123 D N 2.176 122.518 120.400 -0.096 0.000 2.348 123 D HA -0.176 4.464 4.640 0.000 0.000 0.216 123 D C 1.266 177.536 176.300 -0.050 0.000 0.970 123 D CA 0.833 54.802 54.000 -0.053 0.000 0.889 123 D CB -0.584 40.201 40.800 -0.025 0.000 0.912 123 D HN 0.636 nan 8.370 nan 0.000 0.524 124 E N 0.911 121.072 120.200 -0.065 0.000 2.418 124 E HA -0.050 4.300 4.350 0.000 0.000 0.197 124 E C 0.121 176.695 176.600 -0.043 0.000 1.026 124 E CA 0.245 56.620 56.400 -0.042 0.000 0.862 124 E CB 0.099 29.780 29.700 -0.033 0.000 0.799 124 E HN 0.017 nan 8.360 nan 0.000 0.518 125 V N 2.045 121.911 119.914 -0.080 0.000 2.385 125 V HA 0.131 4.251 4.120 0.000 0.000 0.269 125 V C 0.600 176.677 176.094 -0.029 0.000 1.043 125 V CA -0.131 62.130 62.300 -0.064 0.000 0.906 125 V CB 1.205 32.937 31.823 -0.152 0.000 0.995 125 V HN 0.169 nan 8.190 nan 0.000 0.467 126 K N 2.306 122.707 120.400 0.001 0.000 2.440 126 K HA 0.235 4.555 4.320 0.000 0.000 0.207 126 K C -0.220 176.392 176.600 0.019 0.000 1.112 126 K CA 0.049 56.341 56.287 0.008 0.000 1.036 126 K CB 0.824 33.330 32.500 0.009 0.000 0.935 126 K HN 0.971 nan 8.250 nan 0.000 0.564 127 D N -2.216 118.205 120.400 0.035 0.000 2.652 127 D HA 0.088 4.728 4.640 0.000 0.000 0.285 127 D C 0.109 176.455 176.300 0.076 0.000 1.173 127 D CA -0.799 53.228 54.000 0.045 0.000 0.981 127 D CB 0.575 41.401 40.800 0.043 0.000 1.440 127 D HN -0.310 nan 8.370 nan 0.000 0.485 128 N N -1.003 117.744 118.700 0.080 0.000 2.309 128 N HA -0.040 4.700 4.740 0.000 0.000 0.182 128 N C 1.626 177.257 175.510 0.202 0.000 1.018 128 N CA 1.376 54.501 53.050 0.125 0.000 0.876 128 N CB -0.071 38.465 38.487 0.081 0.000 0.972 128 N HN 0.485 nan 8.380 nan 0.000 0.434 129 A N -0.418 122.492 122.820 0.149 0.000 1.872 129 A HA -0.066 4.254 4.320 0.000 0.000 0.214 129 A C 2.227 179.903 177.584 0.154 0.000 1.187 129 A CA 1.733 53.857 52.037 0.145 0.000 0.614 129 A CB -0.735 18.322 19.000 0.096 0.000 0.826 129 A HN 0.330 nan 8.150 nan 0.000 0.442 130 S N -0.119 115.660 115.700 0.131 0.000 2.382 130 S HA -0.133 4.338 4.470 0.000 0.000 0.228 130 S C 1.799 176.518 174.600 0.198 0.000 1.027 130 S CA 1.329 59.606 58.200 0.129 0.000 0.991 130 S CB -0.476 62.772 63.200 0.080 0.000 0.823 130 S HN 0.404 nan 8.310 nan 0.000 0.469 131 L N 1.734 123.102 121.223 0.241 0.000 2.046 131 L HA 0.018 4.358 4.340 0.000 0.000 0.208 131 L C 2.109 179.305 176.870 0.544 0.000 1.077 131 L CA 1.428 56.501 54.840 0.388 0.000 0.747 131 L CB -0.456 41.841 42.059 0.398 0.000 0.896 131 L HN 0.313 nan 8.230 nan 0.000 0.432 132 L N -0.853 120.643 121.223 0.454 0.000 2.027 132 L HA -0.234 4.106 4.340 0.000 0.000 0.206 132 L C 2.665 179.600 176.870 0.108 0.000 1.074 132 L CA 1.485 56.451 54.840 0.210 0.000 0.745 132 L CB -0.283 41.839 42.059 0.105 0.000 0.898 132 L HN 0.268 nan 8.230 nan 0.000 0.433 133 R N -1.183 119.401 120.500 0.141 0.000 2.193 133 R HA -0.210 4.130 4.340 0.000 0.000 0.229 133 R C 1.952 178.359 176.300 0.177 0.000 1.110 133 R CA 1.531 57.704 56.100 0.121 0.000 0.988 133 R CB -0.279 30.087 30.300 0.110 0.000 0.871 133 R HN 0.405 nan 8.270 nan 0.000 0.458 134 F N -0.734 119.248 119.950 0.053 0.000 2.149 134 F HA -0.079 4.448 4.527 0.000 0.000 0.294 134 F C 1.297 177.119 175.800 0.036 0.000 1.095 134 F CA 1.077 59.067 58.000 -0.016 0.000 1.276 134 F CB -0.380 38.525 39.000 -0.159 0.000 1.023 134 F HN -0.109 nan 8.300 nan 0.000 0.480 135 Y N 0.671 120.890 120.300 -0.136 0.000 2.373 135 Y HA -0.094 4.456 4.550 0.000 0.000 0.293 135 Y C 2.580 178.639 175.900 0.266 0.000 1.129 135 Y CA 1.198 59.256 58.100 -0.071 0.000 1.226 135 Y CB -0.748 37.694 38.460 -0.030 0.000 1.000 135 Y HN 0.131 nan 8.280 nan 0.000 0.549 136 Q N 0.218 120.147 119.800 0.215 0.000 2.079 136 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 136 Q C 0.785 176.907 176.000 0.203 0.000 0.974 136 Q CA 1.364 57.274 55.803 0.178 0.000 0.840 136 Q CB -0.517 28.244 28.738 0.038 0.000 0.898 136 Q HN 0.638 nan 8.270 nan 0.000 0.430 137 N N -0.634 118.160 118.700 0.158 0.000 2.313 137 N HA 0.016 4.756 4.740 0.000 0.000 0.207 137 N C -0.550 175.043 175.510 0.138 0.000 1.141 137 N CA -0.432 52.691 53.050 0.121 0.000 0.830 137 N CB 0.153 38.705 38.487 0.109 0.000 1.008 137 N HN 0.137 nan 8.380 nan 0.000 0.481 138 W N 2.103 123.380 121.300 -0.039 0.000 2.338 138 W HA 0.303 4.964 4.660 0.000 0.000 0.307 138 W C -0.695 175.760 176.519 -0.106 0.000 1.167 138 W CA -0.707 56.574 57.345 -0.106 0.000 1.208 138 W CB 0.639 29.976 29.460 -0.206 0.000 1.228 138 W HN -0.096 nan 8.180 nan 0.000 0.499 139 Q N 8.405 127.792 119.800 -0.688 0.000 2.398 139 Q HA 0.320 4.660 4.340 0.000 0.000 0.251 139 Q C -1.969 173.343 176.000 -1.146 0.000 0.999 139 Q CA -2.032 53.282 55.803 -0.816 0.000 0.874 139 Q CB 1.249 29.762 28.738 -0.374 0.000 1.215 139 Q HN 0.253 nan 8.270 nan 0.000 0.470 140 P HA -0.075 nan 4.420 nan 0.000 0.268 140 P C -0.465 176.535 177.300 -0.499 0.000 1.205 140 P CA 0.249 62.767 63.100 -0.970 0.000 0.771 140 P CB 1.051 32.224 31.700 -0.879 0.000 0.858 141 Q N 1.162 120.748 119.800 -0.356 0.000 2.376 141 Q HA 0.074 4.414 4.340 0.000 0.000 0.206 141 Q C 0.182 175.702 176.000 -0.800 0.000 0.921 141 Q CA 0.930 56.335 55.803 -0.663 0.000 0.911 141 Q CB 0.418 28.532 28.738 -1.040 0.000 1.032 141 Q HN 0.604 nan 8.270 nan 0.000 0.510 142 W N 0.972 122.242 121.300 -0.051 0.000 2.962 142 W HA 0.428 5.088 4.660 0.000 0.000 0.341 142 W C -0.022 176.467 176.519 -0.049 0.000 1.155 142 W CA -1.064 56.261 57.345 -0.034 0.000 1.165 142 W CB 1.014 30.474 29.460 0.000 0.000 1.435 142 W HN -0.248 nan 8.180 nan 0.000 0.546 143 K N 2.260 122.787 120.400 0.210 0.000 2.382 143 K HA 0.117 4.437 4.320 0.000 0.000 0.275 143 K C -2.041 174.641 176.600 0.135 0.000 1.009 143 K CA -1.152 55.203 56.287 0.113 0.000 0.970 143 K CB 0.428 32.991 32.500 0.105 0.000 0.934 143 K HN -0.115 nan 8.250 nan 0.000 0.479 144 P HA -0.008 nan 4.420 nan 0.000 0.266 144 P C 0.249 177.632 177.300 0.139 0.000 1.195 144 P CA 0.424 63.596 63.100 0.120 0.000 0.768 144 P CB 0.547 32.316 31.700 0.115 0.000 0.838 145 G N 1.678 110.556 108.800 0.130 0.000 2.159 145 G HA2 -0.279 3.681 3.960 0.000 0.000 0.256 145 G HA3 -0.279 3.681 3.960 0.000 0.000 0.256 145 G C 0.701 175.719 174.900 0.196 0.000 0.977 145 G CA 0.739 45.984 45.100 0.241 0.000 0.652 145 G HN 0.728 nan 8.290 nan 0.000 0.531 146 T N -4.362 110.220 114.554 0.047 0.000 2.955 146 T HA 0.461 4.811 4.350 0.000 0.000 0.251 146 T C 0.688 175.317 174.700 -0.117 0.000 1.002 146 T CA 1.294 63.412 62.100 0.030 0.000 0.970 146 T CB 1.011 69.918 68.868 0.065 0.000 1.091 146 T HN 0.482 nan 8.240 nan 0.000 0.495 147 T N 2.118 116.533 114.554 -0.232 0.000 2.879 147 T HA 0.497 4.847 4.350 0.000 0.000 0.290 147 T C -1.078 173.398 174.700 -0.373 0.000 0.993 147 T CA -0.687 61.166 62.100 -0.412 0.000 0.975 147 T CB 2.362 70.709 68.868 -0.867 0.000 0.981 147 T HN 0.214 nan 8.240 nan 0.000 0.439 148 R N 3.403 123.708 120.500 -0.326 0.000 2.210 148 R HA 0.471 4.812 4.340 0.000 0.000 0.338 148 R C -1.212 174.999 176.300 -0.149 0.000 1.062 148 R CA -0.623 55.340 56.100 -0.229 0.000 0.902 148 R CB 0.125 30.337 30.300 -0.147 0.000 1.050 148 R HN 0.372 nan 8.270 nan 0.000 0.461 149 L N 6.470 127.656 121.223 -0.062 0.000 2.353 149 L HA 0.238 4.578 4.340 0.000 0.000 0.270 149 L C -1.259 175.632 176.870 0.035 0.000 1.003 149 L CA -0.775 54.067 54.840 0.003 0.000 0.862 149 L CB 0.722 42.827 42.059 0.077 0.000 1.221 149 L HN 0.534 nan 8.230 nan 0.000 0.430 150 Y N 4.607 124.785 120.300 -0.203 0.000 2.881 150 Y HA 0.318 4.869 4.550 0.000 0.000 0.335 150 Y C 0.147 175.885 175.900 -0.269 0.000 1.263 150 Y CA 1.026 58.807 58.100 -0.532 0.000 1.572 150 Y CB 0.320 38.494 38.460 -0.477 0.000 1.237 150 Y HN 0.805 nan 8.280 nan 0.000 0.568 151 A N 5.440 127.912 122.820 -0.580 0.000 2.555 151 A HA 0.311 4.631 4.320 0.000 0.000 0.297 151 A C -0.107 177.384 177.584 -0.155 0.000 1.060 151 A CA -0.873 51.044 52.037 -0.201 0.000 0.710 151 A CB 0.856 19.862 19.000 0.009 0.000 1.282 151 A HN 0.729 nan 8.150 nan 0.000 0.399 152 N N 1.228 119.894 118.700 -0.056 0.000 2.270 152 N HA -0.086 4.654 4.740 0.000 0.000 0.181 152 N C 1.811 177.390 175.510 0.115 0.000 1.016 152 N CA 1.578 54.655 53.050 0.044 0.000 0.870 152 N CB -0.169 38.408 38.487 0.150 0.000 0.979 152 N HN 0.834 nan 8.380 nan 0.000 0.431 153 A N -0.129 122.784 122.820 0.155 0.000 2.121 153 A HA -0.036 4.285 4.320 0.000 0.000 0.218 153 A C 2.400 180.160 177.584 0.293 0.000 1.154 153 A CA 1.333 53.547 52.037 0.295 0.000 0.679 153 A CB -0.350 18.866 19.000 0.360 0.000 0.795 153 A HN 0.273 nan 8.150 nan 0.000 0.458 154 S N -0.605 115.197 115.700 0.170 0.000 2.294 154 S HA 0.025 4.495 4.470 0.000 0.000 0.203 154 S C 1.838 176.509 174.600 0.117 0.000 1.022 154 S CA 0.799 59.077 58.200 0.130 0.000 0.955 154 S CB -0.438 62.842 63.200 0.133 0.000 0.943 154 S HN 0.492 nan 8.310 nan 0.000 0.472 155 I N 1.341 121.974 120.570 0.105 0.000 2.530 155 I HA -0.065 4.105 4.170 0.000 0.000 0.257 155 I C 1.971 178.167 176.117 0.133 0.000 1.179 155 I CA 1.328 62.684 61.300 0.094 0.000 1.440 155 I CB -0.491 37.553 38.000 0.073 0.000 1.087 155 I HN 0.490 nan 8.210 nan 0.000 0.440 156 G N 0.541 109.390 108.800 0.083 0.000 2.403 156 G HA2 -0.243 3.718 3.960 0.000 0.000 0.216 156 G HA3 -0.243 3.718 3.960 0.000 0.000 0.216 156 G C 1.499 176.381 174.900 -0.030 0.000 1.154 156 G CA 0.691 45.789 45.100 -0.004 0.000 0.784 156 G HN 0.387 nan 8.290 nan 0.000 0.538 157 L N -0.320 120.927 121.223 0.040 0.000 2.131 157 L HA 0.240 4.580 4.340 0.000 0.000 0.206 157 L C 2.401 179.231 176.870 -0.067 0.000 1.087 157 L CA 1.222 56.027 54.840 -0.058 0.000 0.767 157 L CB -0.622 41.355 42.059 -0.136 0.000 0.917 157 L HN 0.226 nan 8.230 nan 0.000 0.441 158 F N 0.466 120.351 119.950 -0.108 0.000 2.069 158 F HA -0.102 4.425 4.527 0.000 0.000 0.298 158 F C 2.177 177.911 175.800 -0.110 0.000 1.113 158 F CA 1.983 59.919 58.000 -0.106 0.000 1.214 158 F CB -1.109 37.835 39.000 -0.094 0.000 0.978 158 F HN 0.096 nan 8.300 nan 0.000 0.474 159 G N -0.285 108.411 108.800 -0.174 0.000 2.440 159 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 159 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 159 G C 1.790 176.576 174.900 -0.190 0.000 1.154 159 G CA 0.998 45.961 45.100 -0.228 0.000 0.767 159 G HN 0.695 nan 8.290 nan 0.000 0.552 160 A N 0.282 122.963 122.820 -0.231 0.000 1.930 160 A HA 0.180 4.501 4.320 0.000 0.000 0.217 160 A C 2.420 179.848 177.584 -0.259 0.000 1.175 160 A CA 1.133 53.043 52.037 -0.211 0.000 0.627 160 A CB -0.274 18.568 19.000 -0.262 0.000 0.815 160 A HN 0.363 nan 8.150 nan 0.000 0.443 161 L N -1.058 119.973 121.223 -0.321 0.000 2.131 161 L HA -0.055 4.285 4.340 0.000 0.000 0.206 161 L C 2.907 179.543 176.870 -0.389 0.000 1.087 161 L CA 0.836 55.481 54.840 -0.325 0.000 0.767 161 L CB -0.518 41.386 42.059 -0.258 0.000 0.917 161 L HN 0.387 nan 8.230 nan 0.000 0.441 162 A N -0.692 121.807 122.820 -0.535 0.000 2.178 162 A HA -0.076 4.244 4.320 0.000 0.000 0.218 162 A C 2.082 179.443 177.584 -0.372 0.000 1.157 162 A CA 1.121 52.803 52.037 -0.592 0.000 0.689 162 A CB -0.370 18.111 19.000 -0.867 0.000 0.787 162 A HN 0.245 nan 8.150 nan 0.000 0.465 163 V N -0.867 118.882 119.914 -0.275 0.000 3.621 163 V HA -0.003 4.117 4.120 0.000 0.000 0.285 163 V C 1.861 177.862 176.094 -0.155 0.000 1.346 163 V CA 0.780 62.961 62.300 -0.198 0.000 1.104 163 V CB -0.131 31.601 31.823 -0.152 0.000 0.913 163 V HN 0.530 nan 8.190 nan 0.000 0.432 164 K N 0.960 121.269 120.400 -0.152 0.000 2.103 164 K HA -0.052 4.269 4.320 0.000 0.000 0.204 164 K C -0.349 176.218 176.600 -0.054 0.000 1.052 164 K CA 1.293 57.521 56.287 -0.099 0.000 0.945 164 K CB -1.057 31.392 32.500 -0.084 0.000 0.722 164 K HN 0.432 nan 8.250 nan 0.000 0.443 165 P HA -0.160 nan 4.420 nan 0.000 0.217 165 P C 1.444 178.725 177.300 -0.032 0.000 1.150 165 P CA 1.424 64.521 63.100 -0.005 0.000 0.832 165 P CB -0.062 31.647 31.700 0.015 0.000 0.787 166 S N -0.696 114.966 115.700 -0.064 0.000 2.442 166 S HA -0.006 4.465 4.470 0.000 0.000 0.236 166 S C 1.827 176.388 174.600 -0.064 0.000 1.007 166 S CA 1.476 59.633 58.200 -0.071 0.000 0.965 166 S CB -1.467 61.671 63.200 -0.103 0.000 0.773 166 S HN 0.331 nan 8.310 nan 0.000 0.504 167 G N 0.377 109.140 108.800 -0.061 0.000 2.179 167 G HA2 -0.262 3.698 3.960 0.000 0.000 0.260 167 G HA3 -0.262 3.698 3.960 0.000 0.000 0.260 167 G C 0.025 174.889 174.900 -0.061 0.000 0.977 167 G CA 0.594 45.663 45.100 -0.052 0.000 0.641 167 G HN 0.565 nan 8.290 nan 0.000 0.533 168 M N 1.141 120.692 119.600 -0.081 0.000 2.528 168 M HA 0.547 5.027 4.480 0.000 0.000 0.318 168 M C 1.151 177.396 176.300 -0.093 0.000 1.195 168 M CA -0.234 55.012 55.300 -0.090 0.000 1.000 168 M CB 1.756 34.286 32.600 -0.116 0.000 1.615 168 M HN 0.437 nan 8.290 nan 0.000 0.469 169 S N 0.203 115.855 115.700 -0.081 0.000 2.593 169 S HA 0.044 4.514 4.470 0.000 0.000 0.269 169 S C 0.733 175.286 174.600 -0.079 0.000 1.334 169 S CA -0.369 57.795 58.200 -0.059 0.000 1.015 169 S CB 0.401 63.576 63.200 -0.041 0.000 0.912 169 S HN 0.748 nan 8.310 nan 0.000 0.541 170 Y N 1.253 121.471 120.300 -0.136 0.000 2.207 170 Y HA -0.171 4.379 4.550 0.000 0.000 0.287 170 Y C 2.466 178.272 175.900 -0.157 0.000 1.156 170 Y CA 2.374 60.380 58.100 -0.156 0.000 1.182 170 Y CB -0.235 38.131 38.460 -0.157 0.000 0.979 170 Y HN 0.984 nan 8.280 nan 0.000 0.521 171 E N -0.405 119.776 120.200 -0.032 0.000 2.047 171 E HA -0.265 4.085 4.350 0.000 0.000 0.191 171 E C 2.169 178.662 176.600 -0.178 0.000 0.987 171 E CA 1.308 57.664 56.400 -0.073 0.000 0.799 171 E CB -0.159 29.549 29.700 0.014 0.000 0.752 171 E HN 0.622 nan 8.360 nan 0.000 0.449 172 Q N 0.104 119.818 119.800 -0.143 0.000 2.045 172 Q HA -0.227 4.113 4.340 0.000 0.000 0.206 172 Q C 2.173 178.037 176.000 -0.227 0.000 0.991 172 Q CA 2.052 57.768 55.803 -0.146 0.000 0.851 172 Q CB -0.254 28.418 28.738 -0.111 0.000 0.911 172 Q HN 0.377 nan 8.270 nan 0.000 0.418 173 A N 0.590 123.233 122.820 -0.296 0.000 1.898 173 A HA -0.170 4.150 4.320 0.000 0.000 0.216 173 A C 2.018 179.328 177.584 -0.456 0.000 1.181 173 A CA 1.177 53.009 52.037 -0.342 0.000 0.620 173 A CB -0.651 18.140 19.000 -0.348 0.000 0.819 173 A HN 0.502 nan 8.150 nan 0.000 0.442 174 I N -0.405 119.762 120.570 -0.671 0.000 2.394 174 I HA -0.188 3.982 4.170 0.000 0.000 0.251 174 I C 2.165 177.720 176.117 -0.938 0.000 1.136 174 I CA 1.914 62.719 61.300 -0.825 0.000 1.425 174 I CB -0.094 37.306 38.000 -1.001 0.000 1.079 174 I HN 0.326 nan 8.210 nan 0.000 0.425 175 T N -0.050 114.100 114.554 -0.673 0.000 2.777 175 T HA -0.125 4.225 4.350 0.000 0.000 0.266 175 T C 1.678 176.238 174.700 -0.233 0.000 1.040 175 T CA 2.012 63.884 62.100 -0.381 0.000 1.141 175 T CB -0.373 68.420 68.868 -0.125 0.000 0.868 175 T HN 0.392 nan 8.240 nan 0.000 0.444 176 T N 1.659 116.080 114.554 -0.222 0.000 2.978 176 T HA 0.075 4.426 4.350 0.000 0.000 0.262 176 T C 1.885 176.503 174.700 -0.138 0.000 1.063 176 T CA 0.500 62.513 62.100 -0.145 0.000 1.140 176 T CB 0.066 68.859 68.868 -0.125 0.000 0.886 176 T HN 0.326 nan 8.240 nan 0.000 0.470 177 R N 0.135 120.523 120.500 -0.188 0.000 2.335 177 R HA 0.358 4.698 4.340 0.000 0.000 0.210 177 R C 1.150 177.390 176.300 -0.099 0.000 0.892 177 R CA 0.270 56.291 56.100 -0.133 0.000 1.048 177 R CB 0.409 30.624 30.300 -0.142 0.000 1.067 177 R HN 0.269 nan 8.270 nan 0.000 0.524 178 V N -0.480 119.335 119.914 -0.165 0.000 3.668 178 V HA 0.030 4.151 4.120 0.000 0.000 0.199 178 V C 1.547 177.684 176.094 0.072 0.000 1.241 178 V CA 0.328 62.600 62.300 -0.046 0.000 1.308 178 V CB -0.500 31.261 31.823 -0.103 0.000 1.411 178 V HN -0.110 nan 8.190 nan 0.000 0.535 179 F N 1.498 121.408 119.950 -0.066 0.000 2.043 179 F HA -0.116 4.411 4.527 0.000 0.000 0.297 179 F C 2.451 178.187 175.800 -0.107 0.000 1.121 179 F CA 1.166 59.091 58.000 -0.125 0.000 1.199 179 F CB -1.256 37.584 39.000 -0.267 0.000 0.968 179 F HN 0.072 nan 8.300 nan 0.000 0.478 180 K N 0.125 120.570 120.400 0.075 0.000 2.001 180 K HA -0.154 4.166 4.320 0.000 0.000 0.214 180 K C -0.047 176.564 176.600 0.018 0.000 1.050 180 K CA 1.586 57.879 56.287 0.010 0.000 0.934 180 K CB -2.150 30.337 32.500 -0.022 0.000 0.718 180 K HN 0.210 nan 8.250 nan 0.000 0.443 181 P HA -0.114 nan 4.420 nan 0.000 0.218 181 P C 0.978 178.308 177.300 0.050 0.000 1.146 181 P CA 1.131 64.248 63.100 0.028 0.000 0.813 181 P CB 0.071 31.787 31.700 0.027 0.000 0.778 182 L N -1.912 119.364 121.223 0.088 0.000 2.667 182 L HA 0.185 4.525 4.340 0.000 0.000 0.232 182 L C 0.344 177.261 176.870 0.079 0.000 1.138 182 L CA -0.035 54.873 54.840 0.113 0.000 0.921 182 L CB -0.545 41.647 42.059 0.223 0.000 1.180 182 L HN -0.112 nan 8.230 nan 0.000 0.487 183 K N 0.149 120.570 120.400 0.035 0.000 3.016 183 K HA -0.189 4.131 4.320 0.000 0.000 0.262 183 K C -0.118 176.466 176.600 -0.027 0.000 1.043 183 K CA 0.598 56.883 56.287 -0.003 0.000 0.761 183 K CB -1.880 30.625 32.500 0.008 0.000 1.230 183 K HN 0.293 nan 8.250 nan 0.000 0.485 184 L N 1.266 122.462 121.223 -0.044 0.000 2.423 184 L HA 0.084 4.424 4.340 0.000 0.000 0.249 184 L C 0.601 177.243 176.870 -0.379 0.000 1.276 184 L CA -0.290 54.455 54.840 -0.158 0.000 1.199 184 L CB 0.169 42.143 42.059 -0.142 0.000 1.407 184 L HN 0.148 nan 8.230 nan 0.000 0.410 185 D N -0.726 119.452 120.400 -0.370 0.000 2.349 185 D HA -0.027 4.613 4.640 0.000 0.000 0.224 185 D C 0.946 176.576 176.300 -1.116 0.000 1.029 185 D CA 0.843 54.459 54.000 -0.640 0.000 0.879 185 D CB 0.335 40.845 40.800 -0.484 0.000 0.906 185 D HN 0.500 nan 8.370 nan 0.000 0.528 186 H N -0.183 118.508 119.070 -0.631 0.000 2.528 186 H HA 0.254 4.810 4.556 0.000 0.000 0.256 186 H C -0.250 174.475 175.328 -1.006 0.000 1.204 186 H CA -0.048 55.613 56.048 -0.646 0.000 0.955 186 H CB 0.344 30.000 29.762 -0.177 0.000 1.817 186 H HN -0.172 nan 8.280 nan 0.000 0.579 187 T N 1.195 114.861 114.554 -1.480 0.000 2.809 187 T HA 0.303 4.653 4.350 0.000 0.000 0.284 187 T C -0.660 173.090 174.700 -1.583 0.000 0.992 187 T CA -0.533 60.745 62.100 -1.370 0.000 0.957 187 T CB 1.157 69.137 68.868 -1.479 0.000 0.942 187 T HN 0.270 nan 8.240 nan 0.000 0.439 188 W N 2.067 122.992 121.300 -0.625 0.000 2.950 188 W HA 0.588 5.249 4.660 0.000 0.000 0.340 188 W C 0.383 176.754 176.519 -0.247 0.000 1.139 188 W CA -0.929 56.197 57.345 -0.365 0.000 1.188 188 W CB 0.893 30.164 29.460 -0.315 0.000 1.426 188 W HN 0.416 nan 8.180 nan 0.000 0.531 189 I N 1.528 122.195 120.570 0.163 0.000 2.731 189 I HA 0.014 4.185 4.170 0.000 0.000 0.260 189 I C -0.040 176.075 176.117 -0.003 0.000 1.138 189 I CA 0.693 62.030 61.300 0.061 0.000 1.461 189 I CB -0.272 37.784 38.000 0.093 0.000 1.128 189 I HN 0.312 nan 8.210 nan 0.000 0.438 190 N N -0.331 118.376 118.700 0.012 0.000 2.442 190 N HA 0.347 5.087 4.740 0.000 0.000 0.274 190 N C -0.890 174.486 175.510 -0.223 0.000 1.002 190 N CA -0.323 52.671 53.050 -0.093 0.000 0.910 190 N CB 2.544 40.990 38.487 -0.069 0.000 1.244 190 N HN -0.106 nan 8.380 nan 0.000 0.492 191 V N 3.498 123.179 119.914 -0.388 0.000 2.521 191 V HA 0.324 4.444 4.120 0.000 0.000 0.286 191 V C -2.133 173.564 176.094 -0.661 0.000 1.034 191 V CA -1.214 60.649 62.300 -0.730 0.000 1.045 191 V CB 0.293 31.684 31.823 -0.720 0.000 0.974 191 V HN 0.549 nan 8.190 nan 0.000 0.480 192 P HA 0.180 nan 4.420 nan 0.000 0.269 192 P C 0.328 177.408 177.300 -0.367 0.000 1.215 192 P CA -0.242 62.518 63.100 -0.568 0.000 0.780 192 P CB 0.555 31.865 31.700 -0.650 0.000 0.898 193 K N 3.166 123.430 120.400 -0.227 0.000 2.113 193 K HA -0.214 4.106 4.320 0.000 0.000 0.208 193 K C 1.760 178.281 176.600 -0.132 0.000 1.047 193 K CA 2.162 58.365 56.287 -0.141 0.000 0.928 193 K CB -1.117 31.325 32.500 -0.096 0.000 0.716 193 K HN 0.442 nan 8.250 nan 0.000 0.446 194 A N 0.563 123.295 122.820 -0.146 0.000 2.019 194 A HA -0.108 4.212 4.320 0.000 0.000 0.219 194 A C 1.468 178.996 177.584 -0.093 0.000 1.164 194 A CA 1.638 53.615 52.037 -0.101 0.000 0.644 194 A CB -0.326 18.625 19.000 -0.080 0.000 0.805 194 A HN 0.380 nan 8.150 nan 0.000 0.449 195 E N -0.269 119.837 120.200 -0.156 0.000 2.474 195 E HA 0.007 4.357 4.350 0.000 0.000 0.195 195 E C 1.305 177.859 176.600 -0.078 0.000 1.039 195 E CA 0.163 56.513 56.400 -0.084 0.000 0.881 195 E CB -0.131 29.434 29.700 -0.225 0.000 0.970 195 E HN 0.746 nan 8.360 nan 0.000 0.486 196 E N 1.385 121.520 120.200 -0.110 0.000 2.118 196 E HA -0.165 4.186 4.350 0.000 0.000 0.195 196 E C 1.967 178.547 176.600 -0.033 0.000 0.992 196 E CA 1.108 57.479 56.400 -0.048 0.000 0.804 196 E CB -0.067 29.614 29.700 -0.031 0.000 0.741 196 E HN 0.195 nan 8.360 nan 0.000 0.458 197 A N 0.594 123.345 122.820 -0.116 0.000 2.084 197 A HA -0.225 4.096 4.320 0.000 0.000 0.221 197 A C 1.446 178.904 177.584 -0.211 0.000 1.161 197 A CA 1.620 53.559 52.037 -0.162 0.000 0.653 197 A CB -0.725 18.130 19.000 -0.242 0.000 0.802 197 A HN 0.331 nan 8.150 nan 0.000 0.457 198 H N -3.724 115.361 119.070 0.024 0.000 2.551 198 H HA 0.088 4.645 4.556 0.000 0.000 0.266 198 H C 0.130 175.479 175.328 0.035 0.000 0.964 198 H CA 0.178 56.237 56.048 0.020 0.000 1.180 198 H CB 0.102 29.871 29.762 0.012 0.000 1.408 198 H HN 0.456 nan 8.280 nan 0.000 0.563 199 Y N 2.645 122.894 120.300 -0.084 0.000 2.587 199 Y HA 0.292 4.842 4.550 0.000 0.000 0.344 199 Y C 0.256 176.032 175.900 -0.206 0.000 1.061 199 Y CA -1.740 56.239 58.100 -0.202 0.000 1.370 199 Y CB -0.836 37.419 38.460 -0.342 0.000 1.163 199 Y HN 0.117 nan 8.280 nan 0.000 0.527 200 A N 6.299 129.163 122.820 0.073 0.000 2.425 200 A HA 0.204 4.524 4.320 0.000 0.000 0.242 200 A C -0.723 176.852 177.584 -0.015 0.000 1.077 200 A CA -0.349 51.699 52.037 0.018 0.000 0.781 200 A CB 0.141 19.093 19.000 -0.080 0.000 1.020 200 A HN 0.853 nan 8.150 nan 0.000 0.494 201 W N 0.546 121.881 121.300 0.057 0.000 2.381 201 W HA 0.507 5.168 4.660 0.000 0.000 0.329 201 W C 0.821 177.099 176.519 -0.400 0.000 1.157 201 W CA 0.427 57.655 57.345 -0.195 0.000 1.240 201 W CB 1.307 30.475 29.460 -0.486 0.000 1.199 201 W HN 0.932 nan 8.180 nan 0.000 0.579 202 G N 1.146 109.731 108.800 -0.358 0.000 2.451 202 G HA2 0.532 4.492 3.960 0.000 0.000 0.303 202 G HA3 0.532 4.492 3.960 0.000 0.000 0.303 202 G C -2.158 172.473 174.900 -0.449 0.000 1.166 202 G CA -0.480 44.184 45.100 -0.726 0.000 0.884 202 G HN 0.418 nan 8.290 nan 0.000 0.514 203 Y N -0.281 119.935 120.300 -0.139 0.000 2.338 203 Y HA 0.491 5.042 4.550 0.000 0.000 0.333 203 Y C 0.929 176.818 175.900 -0.019 0.000 0.968 203 Y CA -0.831 57.238 58.100 -0.052 0.000 1.123 203 Y CB 2.623 41.056 38.460 -0.045 0.000 1.165 203 Y HN 0.677 nan 8.280 nan 0.000 0.452 204 R N 0.684 121.246 120.500 0.103 0.000 1.933 204 R HA 0.234 4.574 4.340 0.000 0.000 0.167 204 R C -0.316 176.026 176.300 0.070 0.000 1.823 204 R CA 0.147 56.294 56.100 0.078 0.000 1.418 204 R CB 0.345 30.676 30.300 0.052 0.000 1.174 204 R HN 0.580 nan 8.270 nan 0.000 0.476 205 D N 0.092 120.521 120.400 0.048 0.000 3.071 205 D HA 0.207 4.848 4.640 0.000 0.000 0.259 205 D C -0.179 176.148 176.300 0.045 0.000 1.331 205 D CA 0.630 54.654 54.000 0.041 0.000 0.861 205 D CB 0.977 41.792 40.800 0.025 0.000 1.059 205 D HN 0.774 nan 8.370 nan 0.000 0.486 206 G N 1.167 110.016 108.800 0.082 0.000 2.157 206 G HA2 -0.235 3.725 3.960 0.000 0.000 0.239 206 G HA3 -0.235 3.725 3.960 0.000 0.000 0.239 206 G C 0.349 175.333 174.900 0.139 0.000 0.982 206 G CA -0.224 44.940 45.100 0.106 0.000 0.650 206 G HN 0.121 nan 8.290 nan 0.000 0.527 207 K N 0.698 121.143 120.400 0.075 0.000 2.156 207 K HA 0.753 5.073 4.320 0.000 0.000 0.271 207 K C 0.470 176.969 176.600 -0.168 0.000 0.995 207 K CA 0.057 56.325 56.287 -0.031 0.000 0.890 207 K CB 1.626 34.099 32.500 -0.045 0.000 1.073 207 K HN 0.666 nan 8.250 nan 0.000 0.454 208 A N 2.316 124.923 122.820 -0.356 0.000 2.409 208 A HA 0.467 4.787 4.320 0.000 0.000 0.267 208 A C 0.028 177.437 177.584 -0.292 0.000 1.127 208 A CA -0.440 51.226 52.037 -0.617 0.000 0.795 208 A CB -0.043 18.401 19.000 -0.927 0.000 1.061 208 A HN 0.528 nan 8.150 nan 0.000 0.502 209 V N 0.782 120.629 119.914 -0.112 0.000 3.012 209 V HA 0.707 4.827 4.120 0.000 0.000 0.307 209 V C -1.030 175.122 176.094 0.096 0.000 1.166 209 V CA -0.970 61.348 62.300 0.030 0.000 0.974 209 V CB 1.745 33.590 31.823 0.036 0.000 1.040 209 V HN 0.885 nan 8.190 nan 0.000 0.428 210 H N 1.184 120.362 119.070 0.181 0.000 2.670 210 H HA 0.648 5.204 4.556 0.000 0.000 0.361 210 H C -0.148 175.268 175.328 0.146 0.000 1.169 210 H CA -0.765 55.340 56.048 0.095 0.000 1.198 210 H CB 2.247 31.945 29.762 -0.107 0.000 1.700 210 H HN 0.817 nan 8.280 nan 0.000 0.542 211 V N 2.057 122.162 119.914 0.318 0.000 2.617 211 V HA -0.016 4.104 4.120 0.000 0.000 0.304 211 V C 0.224 176.440 176.094 0.204 0.000 1.040 211 V CA 0.387 62.830 62.300 0.237 0.000 1.149 211 V CB 0.368 32.333 31.823 0.238 0.000 0.914 211 V HN 0.768 nan 8.190 nan 0.000 0.487 212 S N 7.644 123.446 115.700 0.170 0.000 2.565 212 S HA 0.423 4.893 4.470 0.000 0.000 0.274 212 S C -2.156 172.531 174.600 0.145 0.000 1.309 212 S CA -0.657 57.625 58.200 0.137 0.000 1.043 212 S CB 1.076 64.336 63.200 0.100 0.000 0.939 212 S HN 0.818 nan 8.310 nan 0.000 0.504 213 P HA 0.393 nan 4.420 nan 0.000 0.267 213 P C -0.175 177.179 177.300 0.090 0.000 1.200 213 P CA -0.008 63.138 63.100 0.077 0.000 0.772 213 P CB 0.436 32.164 31.700 0.046 0.000 0.855 214 G N 1.156 110.000 108.800 0.073 0.000 2.673 214 G HA2 0.480 4.440 3.960 0.000 0.000 0.292 214 G HA3 0.480 4.440 3.960 0.000 0.000 0.292 214 G C -1.177 173.730 174.900 0.011 0.000 1.450 214 G CA -0.669 44.480 45.100 0.082 0.000 0.837 214 G HN 0.236 nan 8.290 nan 0.000 0.505 215 M N 1.242 120.844 119.600 0.003 0.000 2.245 215 M HA 0.235 4.715 4.480 0.000 0.000 0.344 215 M C 1.385 177.650 176.300 -0.058 0.000 1.170 215 M CA 0.139 55.423 55.300 -0.026 0.000 1.135 215 M CB 0.167 32.761 32.600 -0.010 0.000 1.574 215 M HN 0.718 nan 8.290 nan 0.000 0.452 216 L N 1.030 122.185 121.223 -0.113 0.000 4.367 216 L HA -0.361 3.979 4.340 0.000 0.000 0.424 216 L C 1.143 177.789 176.870 -0.373 0.000 1.152 216 L CA 0.694 55.415 54.840 -0.198 0.000 0.974 216 L CB -1.959 40.050 42.059 -0.084 0.000 2.012 216 L HN 0.742 nan 8.230 nan 0.000 0.922 217 D N 0.547 120.673 120.400 -0.457 0.000 2.092 217 D HA -0.183 4.457 4.640 0.000 0.000 0.193 217 D C 1.981 177.829 176.300 -0.753 0.000 0.994 217 D CA 1.598 55.023 54.000 -0.958 0.000 0.828 217 D CB -0.220 40.212 40.800 -0.613 0.000 0.963 217 D HN 0.422 nan 8.370 nan 0.000 0.450 218 A N 0.963 123.515 122.820 -0.445 0.000 1.892 218 A HA -0.289 4.031 4.320 0.000 0.000 0.218 218 A C 2.183 179.504 177.584 -0.438 0.000 1.188 218 A CA 2.391 54.235 52.037 -0.321 0.000 0.631 218 A CB -0.948 17.951 19.000 -0.168 0.000 0.822 218 A HN 0.276 nan 8.150 nan 0.000 0.447 219 E N -0.522 119.233 120.200 -0.742 0.000 2.110 219 E HA 0.002 4.352 4.350 0.000 0.000 0.193 219 E C 1.953 178.394 176.600 -0.264 0.000 0.988 219 E CA 1.554 57.527 56.400 -0.712 0.000 0.804 219 E CB -0.244 29.034 29.700 -0.703 0.000 0.745 219 E HN 0.637 nan 8.360 nan 0.000 0.458 220 A N -0.805 121.863 122.820 -0.253 0.000 2.127 220 A HA 0.143 4.463 4.320 0.000 0.000 0.204 220 A C 0.729 178.363 177.584 0.084 0.000 1.243 220 A CA 0.478 52.486 52.037 -0.049 0.000 0.887 220 A CB 0.146 19.179 19.000 0.055 0.000 0.933 220 A HN 0.402 nan 8.150 nan 0.000 0.479 221 Y N -4.463 115.832 120.300 -0.008 0.000 3.091 221 Y HA 0.437 4.987 4.550 0.000 0.000 0.284 221 Y C 0.892 176.790 175.900 -0.003 0.000 1.048 221 Y CA -0.411 57.700 58.100 0.019 0.000 1.290 221 Y CB -0.457 38.025 38.460 0.037 0.000 1.331 221 Y HN -0.008 nan 8.280 nan 0.000 0.597 222 G N 0.675 109.398 108.800 -0.129 0.000 3.126 222 G HA2 0.316 4.276 3.960 0.000 0.000 0.224 222 G HA3 0.316 4.276 3.960 0.000 0.000 0.224 222 G C -0.111 174.733 174.900 -0.092 0.000 1.142 222 G CA 0.154 45.190 45.100 -0.107 0.000 0.759 222 G HN 0.104 nan 8.290 nan 0.000 0.550 223 V N 0.788 120.638 119.914 -0.106 0.000 2.614 223 V HA 0.332 4.452 4.120 0.000 0.000 0.291 223 V C -0.121 175.834 176.094 -0.231 0.000 1.049 223 V CA -0.109 62.066 62.300 -0.207 0.000 1.038 223 V CB 1.249 32.841 31.823 -0.385 0.000 0.980 223 V HN 0.161 nan 8.190 nan 0.000 0.481 224 K N 2.686 122.918 120.400 -0.279 0.000 2.259 224 K HA 0.819 5.139 4.320 0.000 0.000 0.252 224 K C -0.353 176.081 176.600 -0.276 0.000 0.936 224 K CA -0.452 55.669 56.287 -0.276 0.000 0.810 224 K CB 2.232 34.494 32.500 -0.398 0.000 1.143 224 K HN 0.886 nan 8.250 nan 0.000 0.427 225 T N -0.775 113.676 114.554 -0.171 0.000 2.671 225 T HA 0.428 4.778 4.350 0.000 0.000 0.300 225 T C -1.101 173.614 174.700 0.025 0.000 1.238 225 T CA -1.239 60.768 62.100 -0.155 0.000 1.020 225 T CB 0.869 69.625 68.868 -0.187 0.000 1.503 225 T HN 0.659 nan 8.240 nan 0.000 0.497 226 N N -1.106 117.601 118.700 0.012 0.000 2.525 226 N HA 0.490 5.230 4.740 0.000 0.000 0.288 226 N C 0.799 176.347 175.510 0.063 0.000 1.242 226 N CA -1.042 52.060 53.050 0.087 0.000 0.905 226 N CB 0.604 39.077 38.487 -0.023 0.000 1.258 226 N HN 0.324 nan 8.380 nan 0.000 0.551 227 V N 0.033 119.983 119.914 0.060 0.000 2.626 227 V HA -0.208 3.912 4.120 0.000 0.000 0.252 227 V C 1.942 178.032 176.094 -0.006 0.000 1.067 227 V CA 1.892 64.218 62.300 0.043 0.000 1.081 227 V CB -0.774 31.086 31.823 0.062 0.000 0.686 227 V HN 0.651 nan 8.190 nan 0.000 0.468 228 Q N -0.765 118.918 119.800 -0.195 0.000 2.020 228 Q HA -0.190 4.151 4.340 0.000 0.000 0.198 228 Q C 1.991 178.017 176.000 0.044 0.000 0.974 228 Q CA 1.840 57.553 55.803 -0.151 0.000 0.829 228 Q CB -0.279 28.277 28.738 -0.304 0.000 0.894 228 Q HN 0.546 nan 8.270 nan 0.000 0.433 229 D N 0.315 120.718 120.400 0.005 0.000 2.178 229 D HA -0.141 4.499 4.640 0.000 0.000 0.201 229 D C 1.696 178.081 176.300 0.142 0.000 0.980 229 D CA 0.992 55.014 54.000 0.037 0.000 0.842 229 D CB -0.049 40.702 40.800 -0.083 0.000 0.948 229 D HN 0.082 nan 8.370 nan 0.000 0.472 230 M N 0.683 120.370 119.600 0.145 0.000 2.132 230 M HA 0.035 4.515 4.480 0.000 0.000 0.263 230 M C 1.920 178.388 176.300 0.281 0.000 1.065 230 M CA 0.964 56.414 55.300 0.250 0.000 1.122 230 M CB -0.752 31.962 32.600 0.190 0.000 1.365 230 M HN -0.004 nan 8.290 nan 0.000 0.411 231 A N -1.503 121.458 122.820 0.235 0.000 1.902 231 A HA -0.160 4.160 4.320 0.000 0.000 0.217 231 A C 2.362 180.030 177.584 0.140 0.000 1.181 231 A CA 2.220 54.379 52.037 0.203 0.000 0.623 231 A CB -1.322 17.852 19.000 0.291 0.000 0.818 231 A HN 0.565 nan 8.150 nan 0.000 0.443 232 S N -1.375 114.423 115.700 0.163 0.000 2.370 232 S HA -0.224 4.246 4.470 0.000 0.000 0.226 232 S C 1.825 176.513 174.600 0.146 0.000 1.033 232 S CA 1.571 59.845 58.200 0.123 0.000 1.011 232 S CB -0.564 62.712 63.200 0.127 0.000 0.852 232 S HN 0.742 nan 8.310 nan 0.000 0.457 233 W N 1.608 122.925 121.300 0.028 0.000 2.363 233 W HA -0.130 4.530 4.660 0.000 0.000 0.296 233 W C 1.705 178.172 176.519 -0.086 0.000 1.212 233 W CA 1.344 58.698 57.345 0.016 0.000 1.260 233 W CB -0.289 29.237 29.460 0.110 0.000 1.131 233 W HN 0.219 nan 8.180 nan 0.000 0.530 234 V N 1.784 121.617 119.914 -0.134 0.000 2.379 234 V HA -0.346 3.774 4.120 0.000 0.000 0.245 234 V C 2.471 178.190 176.094 -0.625 0.000 1.044 234 V CA 2.191 64.204 62.300 -0.477 0.000 1.036 234 V CB -0.816 30.873 31.823 -0.223 0.000 0.664 234 V HN 0.142 nan 8.190 nan 0.000 0.453 235 M N -0.613 118.789 119.600 -0.331 0.000 2.149 235 M HA -0.153 4.327 4.480 0.000 0.000 0.261 235 M C 2.125 178.232 176.300 -0.323 0.000 1.064 235 M CA 1.573 56.699 55.300 -0.291 0.000 1.102 235 M CB -0.466 32.045 32.600 -0.148 0.000 1.369 235 M HN 0.250 nan 8.290 nan 0.000 0.408 236 V N 0.188 119.917 119.914 -0.309 0.000 2.535 236 V HA -0.163 3.957 4.120 0.000 0.000 0.246 236 V C 1.932 177.771 176.094 -0.426 0.000 1.045 236 V CA 1.356 63.488 62.300 -0.280 0.000 1.058 236 V CB -0.769 30.959 31.823 -0.160 0.000 0.689 236 V HN 0.483 nan 8.190 nan 0.000 0.461 237 N N -0.182 118.109 118.700 -0.683 0.000 2.244 237 N HA -0.123 4.617 4.740 0.000 0.000 0.183 237 N C 1.811 176.907 175.510 -0.690 0.000 1.016 237 N CA 1.374 53.980 53.050 -0.740 0.000 0.866 237 N CB -0.095 37.799 38.487 -0.988 0.000 0.980 237 N HN 0.418 nan 8.380 nan 0.000 0.430 238 M N 0.340 119.449 119.600 -0.818 0.000 2.319 238 M HA -0.061 4.420 4.480 0.000 0.000 0.265 238 M C 0.426 176.555 176.300 -0.285 0.000 1.068 238 M CA 1.109 56.074 55.300 -0.559 0.000 1.118 238 M CB 0.337 32.601 32.600 -0.560 0.000 1.395 238 M HN -0.177 nan 8.290 nan 0.000 0.435 239 K N -0.320 119.919 120.400 -0.268 0.000 2.950 239 K HA 0.242 4.562 4.320 0.000 0.000 0.199 239 K C -2.447 174.061 176.600 -0.152 0.000 1.144 239 K CA -1.095 55.088 56.287 -0.174 0.000 0.983 239 K CB 0.937 33.348 32.500 -0.148 0.000 1.187 239 K HN -0.144 nan 8.250 nan 0.000 0.595 240 P HA -0.120 nan 4.420 nan 0.000 0.226 240 P C 0.027 177.284 177.300 -0.072 0.000 1.153 240 P CA 1.024 64.059 63.100 -0.109 0.000 0.777 240 P CB 0.125 31.765 31.700 -0.100 0.000 0.794 241 D N -0.907 119.452 120.400 -0.068 0.000 2.363 241 D HA -0.094 4.546 4.640 0.000 0.000 0.220 241 D C 1.420 177.692 176.300 -0.046 0.000 0.994 241 D CA 0.654 54.624 54.000 -0.051 0.000 0.890 241 D CB -0.864 39.907 40.800 -0.049 0.000 0.906 241 D HN 0.155 nan 8.370 nan 0.000 0.530 242 S N -0.634 115.033 115.700 -0.055 0.000 2.593 242 S HA 0.117 4.588 4.470 0.000 0.000 0.217 242 S C 0.511 175.088 174.600 -0.038 0.000 0.966 242 S CA -0.582 57.589 58.200 -0.048 0.000 0.914 242 S CB -0.346 62.818 63.200 -0.059 0.000 0.776 242 S HN 0.225 nan 8.310 nan 0.000 0.523 243 L N 1.564 122.766 121.223 -0.035 0.000 2.325 243 L HA 0.436 4.776 4.340 0.000 0.000 0.278 243 L C 0.940 177.799 176.870 -0.017 0.000 1.023 243 L CA -0.710 54.118 54.840 -0.021 0.000 0.811 243 L CB 1.836 43.885 42.059 -0.016 0.000 1.249 243 L HN 0.073 nan 8.230 nan 0.000 0.431 244 Q N 0.146 119.939 119.800 -0.011 0.000 2.376 244 Q HA 0.049 4.389 4.340 0.000 0.000 0.206 244 Q C -0.100 175.896 176.000 -0.007 0.000 0.921 244 Q CA 0.306 56.103 55.803 -0.010 0.000 0.911 244 Q CB 0.149 28.882 28.738 -0.009 0.000 1.032 244 Q HN 0.537 nan 8.270 nan 0.000 0.510 245 D N 1.281 121.679 120.400 -0.003 0.000 2.424 245 D HA -0.062 4.578 4.640 0.000 0.000 0.244 245 D C 0.900 177.199 176.300 -0.002 0.000 1.134 245 D CA 0.134 54.133 54.000 -0.001 0.000 0.881 245 D CB 0.870 41.673 40.800 0.005 0.000 1.191 245 D HN -0.060 nan 8.370 nan 0.000 0.445 246 N N 1.923 120.622 118.700 -0.002 0.000 2.148 246 N HA -0.182 4.558 4.740 0.000 0.000 0.186 246 N C 1.714 177.226 175.510 0.004 0.000 1.031 246 N CA 1.917 54.966 53.050 -0.001 0.000 0.848 246 N CB -0.241 38.245 38.487 -0.002 0.000 1.005 246 N HN 0.416 nan 8.380 nan 0.000 0.427 247 S N 1.085 116.787 115.700 0.004 0.000 2.355 247 S HA -0.056 4.414 4.470 0.000 0.000 0.222 247 S C 2.075 176.686 174.600 0.017 0.000 1.031 247 S CA 0.606 58.811 58.200 0.009 0.000 0.993 247 S CB -0.816 62.385 63.200 0.001 0.000 0.859 247 S HN 0.307 nan 8.310 nan 0.000 0.453 248 L N 1.464 122.697 121.223 0.016 0.000 2.275 248 L HA 0.103 4.443 4.340 0.000 0.000 0.215 248 L C 2.670 179.558 176.870 0.029 0.000 1.119 248 L CA 1.402 56.262 54.840 0.033 0.000 0.790 248 L CB -0.763 41.320 42.059 0.040 0.000 0.919 248 L HN 0.431 nan 8.230 nan 0.000 0.443 249 R N -0.232 120.275 120.500 0.012 0.000 2.075 249 R HA -0.192 4.148 4.340 0.000 0.000 0.226 249 R C 2.222 178.525 176.300 0.005 0.000 1.114 249 R CA 1.217 57.316 56.100 -0.002 0.000 0.972 249 R CB 0.114 30.408 30.300 -0.010 0.000 0.869 249 R HN 0.108 nan 8.270 nan 0.000 0.437 250 K N -0.270 120.139 120.400 0.016 0.000 2.057 250 K HA -0.019 4.302 4.320 0.000 0.000 0.206 250 K C 1.839 178.468 176.600 0.049 0.000 1.050 250 K CA 1.571 57.874 56.287 0.026 0.000 0.935 250 K CB -0.679 31.838 32.500 0.029 0.000 0.715 250 K HN 0.266 nan 8.250 nan 0.000 0.439 251 G N 1.093 109.926 108.800 0.056 0.000 2.556 251 G HA2 -0.294 3.667 3.960 0.000 0.000 0.220 251 G HA3 -0.294 3.667 3.960 0.000 0.000 0.220 251 G C 1.456 176.417 174.900 0.101 0.000 1.156 251 G CA 1.425 46.577 45.100 0.086 0.000 0.766 251 G HN 0.305 nan 8.290 nan 0.000 0.583 252 L N -0.017 121.243 121.223 0.061 0.000 2.083 252 L HA -0.058 4.282 4.340 0.000 0.000 0.209 252 L C 3.147 180.038 176.870 0.037 0.000 1.083 252 L CA 1.457 56.316 54.840 0.031 0.000 0.752 252 L CB -0.540 41.486 42.059 -0.055 0.000 0.899 252 L HN 0.186 nan 8.230 nan 0.000 0.433 253 T N -0.091 114.481 114.554 0.030 0.000 2.857 253 T HA -0.037 4.313 4.350 0.000 0.000 0.266 253 T C 1.918 176.663 174.700 0.074 0.000 1.048 253 T CA 0.892 63.006 62.100 0.024 0.000 1.139 253 T CB -0.045 68.826 68.868 0.005 0.000 0.874 253 T HN 0.187 nan 8.240 nan 0.000 0.455 254 L N 0.635 121.929 121.223 0.117 0.000 2.217 254 L HA 0.066 4.406 4.340 0.000 0.000 0.211 254 L C 2.863 179.911 176.870 0.296 0.000 1.107 254 L CA 0.819 55.778 54.840 0.198 0.000 0.783 254 L CB -0.510 41.668 42.059 0.199 0.000 0.919 254 L HN 0.210 nan 8.230 nan 0.000 0.442 255 A N -0.797 122.177 122.820 0.255 0.000 2.067 255 A HA -0.131 4.189 4.320 0.000 0.000 0.217 255 A C 2.006 179.817 177.584 0.379 0.000 1.156 255 A CA 0.870 53.105 52.037 0.331 0.000 0.683 255 A CB -0.174 19.044 19.000 0.364 0.000 0.808 255 A HN 0.441 nan 8.150 nan 0.000 0.455 256 Q N 0.186 120.125 119.800 0.232 0.000 2.246 256 Q HA 0.194 4.534 4.340 0.000 0.000 0.202 256 Q C -0.227 175.829 176.000 0.093 0.000 0.883 256 Q CA -0.325 55.561 55.803 0.139 0.000 0.952 256 Q CB 0.379 29.106 28.738 -0.017 0.000 1.078 256 Q HN 0.518 nan 8.270 nan 0.000 0.493 257 S N 0.616 116.388 115.700 0.121 0.000 2.614 257 S HA 0.322 4.793 4.470 0.000 0.000 0.265 257 S C 0.008 174.540 174.600 -0.112 0.000 1.303 257 S CA -0.394 57.739 58.200 -0.111 0.000 1.000 257 S CB 0.744 63.738 63.200 -0.343 0.000 0.935 257 S HN 0.232 nan 8.310 nan 0.000 0.551 258 R N 1.004 121.354 120.500 -0.251 0.000 2.215 258 R HA 0.282 4.622 4.340 0.000 0.000 0.336 258 R C -0.617 175.585 176.300 -0.164 0.000 0.996 258 R CA -0.195 55.874 56.100 -0.052 0.000 0.847 258 R CB 0.434 30.665 30.300 -0.116 0.000 1.127 258 R HN 0.669 nan 8.270 nan 0.000 0.465 259 Y N 0.498 120.837 120.300 0.066 0.000 2.481 259 Y HA 0.195 4.745 4.550 0.000 0.000 0.258 259 Y C -0.060 175.532 175.900 -0.514 0.000 1.103 259 Y CA -0.076 57.917 58.100 -0.178 0.000 1.287 259 Y CB 0.576 38.984 38.460 -0.086 0.000 1.108 259 Y HN 0.474 nan 8.280 nan 0.000 0.529 260 W N -0.551 120.901 121.300 0.253 0.000 3.137 260 W HA 0.558 5.218 4.660 0.000 0.000 0.324 260 W C -0.777 175.843 176.519 0.168 0.000 1.253 260 W CA -1.342 56.107 57.345 0.173 0.000 1.183 260 W CB 1.103 30.646 29.460 0.138 0.000 1.424 260 W HN -0.510 nan 8.180 nan 0.000 0.566 261 R N 1.374 122.055 120.500 0.303 0.000 2.480 261 R HA 0.763 5.104 4.340 0.000 0.000 0.306 261 R C -1.911 174.416 176.300 0.046 0.000 0.958 261 R CA -0.571 55.551 56.100 0.037 0.000 0.861 261 R CB 1.603 31.850 30.300 -0.089 0.000 1.171 261 R HN 0.418 nan 8.270 nan 0.000 0.445 262 V N 5.434 125.336 119.914 -0.020 0.000 2.385 262 V HA 0.466 4.586 4.120 0.000 0.000 0.277 262 V C 0.845 176.907 176.094 -0.053 0.000 1.012 262 V CA 0.186 62.482 62.300 -0.006 0.000 0.832 262 V CB 0.551 32.390 31.823 0.026 0.000 1.028 262 V HN 1.171 nan 8.190 nan 0.000 0.436 263 G N 4.698 113.459 108.800 -0.064 0.000 2.531 263 G HA2 -0.116 3.845 3.960 0.000 0.000 0.274 263 G HA3 -0.116 3.845 3.960 0.000 0.000 0.274 263 G C 1.004 175.836 174.900 -0.114 0.000 1.159 263 G CA 0.337 45.397 45.100 -0.068 0.000 0.969 263 G HN 1.547 nan 8.290 nan 0.000 0.554 264 A N -0.135 122.634 122.820 -0.086 0.000 2.235 264 A HA 0.559 4.880 4.320 0.000 0.000 0.208 264 A C 1.119 178.635 177.584 -0.115 0.000 1.172 264 A CA 2.247 54.233 52.037 -0.086 0.000 0.786 264 A CB -0.544 18.433 19.000 -0.038 0.000 0.804 264 A HN 1.914 nan 8.150 nan 0.000 0.479 265 M N -3.278 116.228 119.600 -0.157 0.000 2.690 265 M HA 0.765 5.245 4.480 0.000 0.000 0.302 265 M C -1.527 174.629 176.300 -0.240 0.000 1.234 265 M CA -0.877 54.378 55.300 -0.074 0.000 0.853 265 M CB 1.051 33.721 32.600 0.116 0.000 1.748 265 M HN 0.013 nan 8.290 nan 0.000 0.469 266 Y N 0.091 120.505 120.300 0.189 0.000 2.393 266 Y HA 0.611 5.161 4.550 0.000 0.000 0.341 266 Y C -0.545 175.519 175.900 0.273 0.000 0.988 266 Y CA -0.571 57.655 58.100 0.210 0.000 1.078 266 Y CB 1.772 40.326 38.460 0.156 0.000 1.203 266 Y HN 0.714 nan 8.280 nan 0.000 0.453 267 Q N 2.182 122.266 119.800 0.474 0.000 2.337 267 Q HA 0.492 4.832 4.340 0.000 0.000 0.255 267 Q C 0.076 176.370 176.000 0.491 0.000 0.997 267 Q CA -0.157 55.916 55.803 0.450 0.000 0.925 267 Q CB 0.874 29.874 28.738 0.437 0.000 1.212 267 Q HN 0.900 nan 8.270 nan 0.000 0.436 268 G N 2.328 111.384 108.800 0.427 0.000 2.574 268 G HA2 0.416 4.376 3.960 0.000 0.000 0.248 268 G HA3 0.416 4.376 3.960 0.000 0.000 0.248 268 G C -1.107 173.939 174.900 0.243 0.000 1.422 268 G CA -0.613 44.761 45.100 0.456 0.000 1.051 268 G HN 0.502 nan 8.290 nan 0.000 0.560 269 L N 1.168 122.493 121.223 0.170 0.000 2.270 269 L HA 0.491 4.831 4.340 0.000 0.000 0.286 269 L C 1.346 178.246 176.870 0.051 0.000 1.059 269 L CA 0.903 55.714 54.840 -0.049 0.000 0.839 269 L CB -0.103 41.919 42.059 -0.062 0.000 1.221 269 L HN 1.131 nan 8.230 nan 0.000 0.431 270 G N 2.425 111.231 108.800 0.009 0.000 3.909 270 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 270 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 270 G C 0.243 175.173 174.900 0.049 0.000 1.404 270 G CA 0.028 45.134 45.100 0.011 0.000 0.905 270 G HN 0.443 nan 8.290 nan 0.000 0.589 271 W N 2.356 123.776 121.300 0.199 0.000 2.137 271 W HA 0.574 5.234 4.660 0.000 0.000 0.344 271 W C 0.860 177.513 176.519 0.224 0.000 1.286 271 W CA -0.038 57.420 57.345 0.188 0.000 1.240 271 W CB 0.390 29.933 29.460 0.138 0.000 1.141 271 W HN 0.330 nan 8.180 nan 0.000 0.579 272 E N 1.424 121.957 120.200 0.555 0.000 2.288 272 E HA 0.553 4.903 4.350 0.000 0.000 0.268 272 E C -0.976 175.914 176.600 0.483 0.000 0.885 272 E CA -1.200 55.491 56.400 0.486 0.000 0.767 272 E CB 1.908 31.878 29.700 0.449 0.000 1.220 272 E HN 0.177 nan 8.360 nan 0.000 0.427 273 M N 1.970 121.814 119.600 0.408 0.000 2.501 273 M HA 0.447 4.927 4.480 0.000 0.000 0.293 273 M C -1.547 174.986 176.300 0.387 0.000 1.192 273 M CA -0.366 55.125 55.300 0.318 0.000 0.886 273 M CB 1.784 34.507 32.600 0.203 0.000 1.710 273 M HN 0.281 nan 8.290 nan 0.000 0.457 274 L N 1.310 122.727 121.223 0.324 0.000 2.370 274 L HA 0.551 4.891 4.340 0.000 0.000 0.266 274 L C -0.431 176.629 176.870 0.317 0.000 1.002 274 L CA -0.452 54.579 54.840 0.318 0.000 0.818 274 L CB 2.146 44.323 42.059 0.196 0.000 1.325 274 L HN 0.670 nan 8.230 nan 0.000 0.418 275 N N 1.259 120.140 118.700 0.301 0.000 2.458 275 N HA 0.049 4.789 4.740 0.000 0.000 0.258 275 N C -1.271 174.423 175.510 0.307 0.000 1.219 275 N CA 0.005 53.201 53.050 0.243 0.000 0.902 275 N CB 0.820 39.416 38.487 0.182 0.000 1.076 275 N HN 0.517 nan 8.380 nan 0.000 0.455 276 W N 3.273 124.633 121.300 0.099 0.000 2.551 276 W HA 0.360 5.020 4.660 0.000 0.000 0.330 276 W C -2.364 174.202 176.519 0.077 0.000 1.063 276 W CA -2.032 55.384 57.345 0.119 0.000 1.222 276 W CB 1.073 30.610 29.460 0.129 0.000 1.349 276 W HN 0.416 nan 8.180 nan 0.000 0.536 277 P HA 0.117 nan 4.420 nan 0.000 0.270 277 P C -1.198 175.829 177.300 -0.455 0.000 1.227 277 P CA -0.152 62.111 63.100 -1.395 0.000 0.788 277 P CB 1.110 32.205 31.700 -1.008 0.000 0.926 278 V N 0.515 120.191 119.914 -0.397 0.000 3.048 278 V HA 0.226 4.347 4.120 0.000 0.000 0.303 278 V C -1.178 174.868 176.094 -0.081 0.000 1.214 278 V CA -0.816 61.445 62.300 -0.066 0.000 0.984 278 V CB 2.250 34.145 31.823 0.119 0.000 1.054 278 V HN 0.503 nan 8.190 nan 0.000 0.430 279 D N 3.475 123.794 120.400 -0.134 0.000 2.458 279 D HA 0.337 4.977 4.640 0.000 0.000 0.243 279 D C 1.036 177.119 176.300 -0.363 0.000 1.146 279 D CA 0.836 54.723 54.000 -0.189 0.000 0.877 279 D CB 2.076 42.784 40.800 -0.153 0.000 1.176 279 D HN 0.748 nan 8.370 nan 0.000 0.461 280 A N 5.163 127.619 122.820 -0.608 0.000 1.873 280 A HA -0.233 4.087 4.320 0.000 0.000 0.218 280 A C 2.017 179.264 177.584 -0.562 0.000 1.193 280 A CA 1.868 53.233 52.037 -1.120 0.000 0.629 280 A CB -0.461 17.883 19.000 -1.093 0.000 0.826 280 A HN 0.730 nan 8.150 nan 0.000 0.447 281 K N -1.155 119.040 120.400 -0.341 0.000 2.113 281 K HA -0.162 4.158 4.320 0.000 0.000 0.208 281 K C 2.063 178.555 176.600 -0.181 0.000 1.047 281 K CA 1.897 58.056 56.287 -0.213 0.000 0.928 281 K CB -0.290 32.120 32.500 -0.150 0.000 0.716 281 K HN 0.546 nan 8.250 nan 0.000 0.446 282 T N 0.598 115.040 114.554 -0.187 0.000 2.668 282 T HA -0.137 4.213 4.350 0.000 0.000 0.262 282 T C 1.881 176.500 174.700 -0.135 0.000 1.045 282 T CA 1.740 63.758 62.100 -0.136 0.000 1.152 282 T CB -0.345 68.454 68.868 -0.116 0.000 0.864 282 T HN 0.277 nan 8.240 nan 0.000 0.419 283 V N 0.561 120.349 119.914 -0.210 0.000 2.295 283 V HA -0.106 4.014 4.120 0.000 0.000 0.246 283 V C 2.441 178.475 176.094 -0.100 0.000 1.049 283 V CA 1.386 63.577 62.300 -0.182 0.000 1.024 283 V CB -1.400 30.160 31.823 -0.437 0.000 0.648 283 V HN 0.314 nan 8.190 nan 0.000 0.447 284 V N 0.919 120.730 119.914 -0.171 0.000 2.287 284 V HA -0.244 3.876 4.120 0.000 0.000 0.248 284 V C 2.828 178.873 176.094 -0.082 0.000 1.053 284 V CA 2.629 64.856 62.300 -0.121 0.000 1.027 284 V CB -0.905 30.827 31.823 -0.152 0.000 0.646 284 V HN 0.635 nan 8.190 nan 0.000 0.447 285 E N 0.140 120.289 120.200 -0.086 0.000 2.208 285 E HA -0.070 4.280 4.350 0.000 0.000 0.193 285 E C 2.253 178.827 176.600 -0.044 0.000 0.988 285 E CA 0.915 57.278 56.400 -0.063 0.000 0.828 285 E CB -0.334 29.326 29.700 -0.066 0.000 0.763 285 E HN 0.651 nan 8.360 nan 0.000 0.478 286 G N 1.235 110.017 108.800 -0.031 0.000 2.534 286 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 286 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 286 G C 1.630 176.531 174.900 0.001 0.000 1.128 286 G CA 0.892 45.989 45.100 -0.006 0.000 0.784 286 G HN 0.328 nan 8.290 nan 0.000 0.542 287 S N -0.495 115.205 115.700 -0.001 0.000 2.528 287 S HA 0.041 4.512 4.470 0.000 0.000 0.219 287 S C 0.733 175.294 174.600 -0.064 0.000 0.985 287 S CA -0.143 58.043 58.200 -0.024 0.000 0.914 287 S CB 0.013 63.207 63.200 -0.011 0.000 0.776 287 S HN 0.293 nan 8.310 nan 0.000 0.526 288 D N 1.955 122.322 120.400 -0.055 0.000 2.488 288 D HA 0.037 4.677 4.640 0.000 0.000 0.238 288 D C 0.443 176.706 176.300 -0.061 0.000 1.138 288 D CA 0.078 54.046 54.000 -0.055 0.000 0.873 288 D CB 0.536 41.311 40.800 -0.042 0.000 1.183 288 D HN 0.077 nan 8.370 nan 0.000 0.458 289 N N 3.410 122.074 118.700 -0.061 0.000 2.192 289 N HA -0.175 4.565 4.740 0.000 0.000 0.188 289 N C 1.443 176.926 175.510 -0.045 0.000 1.013 289 N CA 0.883 53.895 53.050 -0.062 0.000 0.863 289 N CB -0.025 38.434 38.487 -0.047 0.000 0.990 289 N HN 0.520 nan 8.380 nan 0.000 0.430 290 K N 0.140 120.521 120.400 -0.032 0.000 2.103 290 K HA -0.087 4.233 4.320 0.000 0.000 0.207 290 K C 1.730 178.316 176.600 -0.024 0.000 1.048 290 K CA 1.027 57.302 56.287 -0.020 0.000 0.930 290 K CB 0.164 32.654 32.500 -0.016 0.000 0.716 290 K HN 0.045 nan 8.250 nan 0.000 0.444 291 V N -0.067 119.827 119.914 -0.035 0.000 2.403 291 V HA -0.024 4.096 4.120 0.000 0.000 0.239 291 V C 2.152 178.215 176.094 -0.051 0.000 1.041 291 V CA 1.482 63.760 62.300 -0.036 0.000 1.051 291 V CB -0.572 31.231 31.823 -0.033 0.000 0.704 291 V HN 0.237 nan 8.190 nan 0.000 0.472 292 A N 0.019 122.793 122.820 -0.077 0.000 2.024 292 A HA -0.080 4.240 4.320 0.000 0.000 0.220 292 A C 2.051 179.545 177.584 -0.149 0.000 1.164 292 A CA 1.694 53.651 52.037 -0.133 0.000 0.643 292 A CB -0.515 18.364 19.000 -0.202 0.000 0.806 292 A HN 0.539 nan 8.150 nan 0.000 0.451 293 L N -1.391 119.777 121.223 -0.091 0.000 2.640 293 L HA 0.288 4.629 4.340 0.000 0.000 0.230 293 L C 1.063 177.936 176.870 0.005 0.000 1.123 293 L CA -0.051 54.769 54.840 -0.033 0.000 0.900 293 L CB -0.236 41.811 42.059 -0.020 0.000 1.146 293 L HN 0.338 nan 8.230 nan 0.000 0.484 294 A N 1.811 124.623 122.820 -0.013 0.000 2.354 294 A HA 0.499 4.819 4.320 0.000 0.000 0.269 294 A C -2.217 175.342 177.584 -0.042 0.000 1.109 294 A CA -1.157 50.878 52.037 -0.004 0.000 0.800 294 A CB -0.225 18.769 19.000 -0.011 0.000 1.045 294 A HN -0.085 nan 8.150 nan 0.000 0.489 295 P HA 0.334 nan 4.420 nan 0.000 0.271 295 P C -1.040 176.092 177.300 -0.280 0.000 1.226 295 P CA 0.386 63.326 63.100 -0.266 0.000 0.765 295 P CB 0.637 32.091 31.700 -0.409 0.000 0.835 296 L N 5.429 126.476 121.223 -0.294 0.000 2.422 296 L HA 0.436 4.776 4.340 0.000 0.000 0.264 296 L C -2.352 174.382 176.870 -0.227 0.000 0.984 296 L CA -2.811 51.904 54.840 -0.207 0.000 0.819 296 L CB 3.034 45.026 42.059 -0.111 0.000 1.330 296 L HN 0.152 nan 8.230 nan 0.000 0.410 297 P HA 0.077 nan 4.420 nan 0.000 0.266 297 P C -1.095 176.175 177.300 -0.050 0.000 1.215 297 P CA -0.040 62.993 63.100 -0.111 0.000 0.763 297 P CB 0.887 32.553 31.700 -0.056 0.000 0.806 298 A N 5.208 128.015 122.820 -0.022 0.000 2.303 298 A HA 0.481 4.801 4.320 0.000 0.000 0.320 298 A C 0.145 177.906 177.584 0.295 0.000 1.192 298 A CA -0.845 51.252 52.037 0.101 0.000 0.821 298 A CB 0.881 19.837 19.000 -0.074 0.000 1.188 298 A HN 0.410 nan 8.150 nan 0.000 0.492 299 R N 2.288 122.968 120.500 0.300 0.000 2.215 299 R HA 0.205 4.546 4.340 0.000 0.000 0.337 299 R C -0.368 176.085 176.300 0.256 0.000 1.010 299 R CA -0.355 55.893 56.100 0.247 0.000 0.871 299 R CB 1.280 31.656 30.300 0.127 0.000 1.134 299 R HN 0.884 nan 8.270 nan 0.000 0.477 300 E N 2.704 122.983 120.200 0.132 0.000 2.417 300 E HA -0.016 4.334 4.350 0.000 0.000 0.261 300 E C -0.509 175.937 176.600 -0.257 0.000 1.000 300 E CA -0.169 55.955 56.400 -0.460 0.000 0.919 300 E CB 0.741 30.062 29.700 -0.632 0.000 0.955 300 E HN 0.220 nan 8.360 nan 0.000 0.455 301 V N 6.937 126.685 119.914 -0.278 0.000 2.397 301 V HA -0.065 4.055 4.120 0.000 0.000 0.262 301 V C 0.843 176.830 176.094 -0.179 0.000 1.047 301 V CA -0.359 61.857 62.300 -0.140 0.000 1.003 301 V CB 0.094 31.864 31.823 -0.087 0.000 1.037 301 V HN 0.811 nan 8.190 nan 0.000 0.480 302 N N 6.594 125.224 118.700 -0.117 0.000 1.359 302 N HA -0.167 4.573 4.740 0.000 0.000 0.145 302 N C -1.800 173.643 175.510 -0.112 0.000 0.572 302 N CA 1.102 54.094 53.050 -0.096 0.000 0.848 302 N CB -1.392 37.060 38.487 -0.058 0.000 1.223 302 N HN 0.480 nan 8.380 nan 0.000 1.196 303 P HA 0.257 nan 4.420 nan 0.000 0.275 303 P C -2.513 174.696 177.300 -0.153 0.000 1.228 303 P CA -0.940 62.103 63.100 -0.096 0.000 0.786 303 P CB -0.040 31.619 31.700 -0.069 0.000 0.927 304 P HA -0.009 nan 4.420 nan 0.000 0.263 304 P C -0.260 176.861 177.300 -0.299 0.000 1.175 304 P CA 0.601 63.473 63.100 -0.381 0.000 0.761 304 P CB 0.105 31.405 31.700 -0.668 0.000 0.794 305 A N 5.973 128.624 122.820 -0.282 0.000 2.363 305 A HA 0.467 4.787 4.320 0.000 0.000 0.270 305 A C -1.949 175.501 177.584 -0.224 0.000 1.121 305 A CA -1.407 50.503 52.037 -0.211 0.000 0.800 305 A CB -0.631 18.256 19.000 -0.189 0.000 1.052 305 A HN 0.408 nan 8.150 nan 0.000 0.493 306 P HA 0.172 nan 4.420 nan 0.000 0.271 306 P C -2.689 174.535 177.300 -0.128 0.000 1.244 306 P CA -1.219 61.802 63.100 -0.131 0.000 0.793 306 P CB -0.662 30.982 31.700 -0.094 0.000 0.984 307 P HA -0.017 nan 4.420 nan 0.000 0.261 307 P C -0.220 177.024 177.300 -0.094 0.000 1.203 307 P CA 0.278 63.325 63.100 -0.089 0.000 0.767 307 P CB -0.028 31.633 31.700 -0.065 0.000 0.785 308 V N 2.615 122.462 119.914 -0.112 0.000 2.432 308 V HA 0.214 4.334 4.120 0.000 0.000 0.275 308 V C 1.241 177.296 176.094 -0.066 0.000 1.043 308 V CA -0.139 62.106 62.300 -0.092 0.000 0.925 308 V CB 0.912 32.667 31.823 -0.113 0.000 0.985 308 V HN 0.496 nan 8.190 nan 0.000 0.466 309 N N 4.016 122.689 118.700 -0.045 0.000 2.149 309 N HA -0.075 4.665 4.740 0.000 0.000 0.188 309 N C 0.999 176.509 175.510 -0.001 0.000 1.019 309 N CA 1.346 54.377 53.050 -0.031 0.000 0.857 309 N CB 0.108 38.581 38.487 -0.024 0.000 0.997 309 N HN 0.949 nan 8.380 nan 0.000 0.426 310 A N 0.971 123.813 122.820 0.036 0.000 2.922 310 A HA 0.406 4.726 4.320 0.000 0.000 0.298 310 A C -0.519 177.151 177.584 0.144 0.000 1.588 310 A CA -0.051 52.061 52.037 0.125 0.000 1.288 310 A CB 0.109 19.187 19.000 0.130 0.000 1.130 310 A HN 0.122 nan 8.150 nan 0.000 0.557 311 S N 0.948 116.704 115.700 0.094 0.000 2.595 311 S HA 0.581 5.051 4.470 0.000 0.000 0.281 311 S C -1.235 173.383 174.600 0.029 0.000 1.117 311 S CA -0.527 57.723 58.200 0.083 0.000 0.873 311 S CB 1.256 64.429 63.200 -0.045 0.000 1.108 311 S HN 0.730 nan 8.310 nan 0.000 0.477 312 W N 3.971 125.228 121.300 -0.073 0.000 2.282 312 W HA 0.588 5.248 4.660 0.000 0.000 0.322 312 W C -1.966 174.368 176.519 -0.309 0.000 1.011 312 W CA -0.538 56.677 57.345 -0.215 0.000 1.392 312 W CB 0.431 29.865 29.460 -0.044 0.000 1.215 312 W HN 0.319 nan 8.180 nan 0.000 0.394 313 V N 7.568 127.009 119.914 -0.790 0.000 2.435 313 V HA 0.436 4.556 4.120 0.000 0.000 0.290 313 V C 0.006 175.678 176.094 -0.703 0.000 1.030 313 V CA -0.241 61.606 62.300 -0.754 0.000 0.881 313 V CB 1.378 32.417 31.823 -1.306 0.000 0.983 313 V HN 0.651 nan 8.190 nan 0.000 0.445 314 H N 2.594 121.585 119.070 -0.132 0.000 2.981 314 H HA 0.888 5.444 4.556 0.000 0.000 0.327 314 H C -1.362 174.179 175.328 0.354 0.000 1.342 314 H CA -1.286 54.806 56.048 0.073 0.000 1.123 314 H CB 2.156 31.967 29.762 0.081 0.000 1.851 314 H HN 0.412 nan 8.280 nan 0.000 0.531 315 K N 0.974 121.431 120.400 0.095 0.000 2.575 315 K HA 0.283 4.603 4.320 0.000 0.000 0.255 315 K C -1.554 175.060 176.600 0.024 0.000 0.953 315 K CA -0.292 55.996 56.287 0.002 0.000 0.840 315 K CB 2.611 35.082 32.500 -0.048 0.000 1.303 315 K HN 0.786 nan 8.250 nan 0.000 0.438 316 T N 1.346 115.961 114.554 0.102 0.000 2.928 316 T HA 0.832 5.182 4.350 0.000 0.000 0.284 316 T C -0.557 174.219 174.700 0.126 0.000 1.008 316 T CA -0.085 62.150 62.100 0.225 0.000 1.057 316 T CB 0.821 69.792 68.868 0.172 0.000 1.018 316 T HN 0.656 nan 8.240 nan 0.000 0.493 317 G N 1.866 110.752 108.800 0.143 0.000 2.739 317 G HA2 0.559 4.519 3.960 0.000 0.000 0.292 317 G HA3 0.559 4.519 3.960 0.000 0.000 0.292 317 G C -1.331 173.654 174.900 0.142 0.000 1.444 317 G CA -0.531 44.653 45.100 0.141 0.000 1.144 317 G HN 0.765 nan 8.290 nan 0.000 0.550 318 S N 0.020 115.798 115.700 0.130 0.000 2.599 318 S HA 0.911 5.382 4.470 0.000 0.000 0.287 318 S C 0.085 174.766 174.600 0.136 0.000 1.105 318 S CA -0.553 57.728 58.200 0.136 0.000 0.899 318 S CB 2.236 65.480 63.200 0.074 0.000 1.100 318 S HN 1.305 nan 8.310 nan 0.000 0.482 319 T N -2.251 112.413 114.554 0.185 0.000 2.716 319 T HA 0.657 5.007 4.350 0.000 0.000 0.286 319 T C 1.262 176.058 174.700 0.160 0.000 1.052 319 T CA -0.195 61.996 62.100 0.152 0.000 1.024 319 T CB 0.774 69.784 68.868 0.236 0.000 1.349 319 T HN 0.565 nan 8.240 nan 0.000 0.525 320 G N -0.344 108.536 108.800 0.133 0.000 2.442 320 G HA2 0.170 4.130 3.960 0.000 0.000 0.219 320 G HA3 0.170 4.130 3.960 0.000 0.000 0.219 320 G C 1.204 176.189 174.900 0.142 0.000 1.141 320 G CA 0.705 45.873 45.100 0.112 0.000 0.763 320 G HN 1.188 nan 8.290 nan 0.000 0.554 321 G N -1.339 107.590 108.800 0.216 0.000 3.192 321 G HA2 0.448 4.408 3.960 0.000 0.000 0.239 321 G HA3 0.448 4.408 3.960 0.000 0.000 0.239 321 G C -0.301 174.604 174.900 0.009 0.000 1.084 321 G CA -0.438 44.728 45.100 0.111 0.000 0.784 321 G HN 0.202 nan 8.290 nan 0.000 0.540 322 F N -0.191 119.888 119.950 0.215 0.000 2.563 322 F HA 0.684 5.211 4.527 0.000 0.000 0.316 322 F C 0.336 176.264 175.800 0.213 0.000 1.076 322 F CA -1.073 57.087 58.000 0.268 0.000 0.921 322 F CB 2.627 41.806 39.000 0.298 0.000 1.209 322 F HN -0.013 nan 8.300 nan 0.000 0.462 323 G N 1.148 110.196 108.800 0.413 0.000 2.737 323 G HA2 0.574 4.534 3.960 0.000 0.000 0.290 323 G HA3 0.574 4.534 3.960 0.000 0.000 0.290 323 G C -1.503 173.534 174.900 0.229 0.000 1.482 323 G CA -0.513 44.717 45.100 0.217 0.000 1.017 323 G HN 0.568 nan 8.290 nan 0.000 0.529 324 S N 0.259 116.077 115.700 0.197 0.000 2.634 324 S HA 0.817 5.287 4.470 0.000 0.000 0.296 324 S C -1.703 173.060 174.600 0.273 0.000 1.104 324 S CA -0.639 57.691 58.200 0.216 0.000 0.920 324 S CB 2.056 65.370 63.200 0.190 0.000 1.111 324 S HN 0.679 nan 8.310 nan 0.000 0.493 325 Y N 0.308 120.683 120.300 0.125 0.000 2.519 325 Y HA 0.605 5.155 4.550 0.000 0.000 0.336 325 Y C -1.899 174.124 175.900 0.205 0.000 1.089 325 Y CA -0.680 57.509 58.100 0.149 0.000 1.025 325 Y CB 1.066 39.611 38.460 0.143 0.000 1.318 325 Y HN 0.464 nan 8.280 nan 0.000 0.452 326 V N 4.606 124.240 119.914 -0.467 0.000 2.577 326 V HA 0.925 5.045 4.120 0.000 0.000 0.303 326 V C -0.971 174.851 176.094 -0.453 0.000 1.042 326 V CA -0.281 61.883 62.300 -0.227 0.000 0.872 326 V CB 1.520 33.473 31.823 0.217 0.000 0.998 326 V HN 0.971 nan 8.190 nan 0.000 0.423 327 A N 5.458 128.071 122.820 -0.345 0.000 2.398 327 A HA 1.005 5.325 4.320 0.000 0.000 0.301 327 A C -1.183 176.118 177.584 -0.471 0.000 1.041 327 A CA -0.467 51.248 52.037 -0.536 0.000 0.711 327 A CB 1.429 20.069 19.000 -0.599 0.000 1.240 327 A HN 1.260 nan 8.150 nan 0.000 0.420 328 F N -0.089 119.408 119.950 -0.755 0.000 2.613 328 F HA 0.843 5.370 4.527 0.000 0.000 0.310 328 F C -1.298 174.096 175.800 -0.676 0.000 1.085 328 F CA -1.337 56.280 58.000 -0.639 0.000 0.945 328 F CB 1.363 40.079 39.000 -0.473 0.000 1.298 328 F HN 0.262 nan 8.300 nan 0.000 0.455 329 I N 3.534 123.874 120.570 -0.384 0.000 2.464 329 I HA 0.335 4.505 4.170 0.000 0.000 0.277 329 I C -1.998 174.019 176.117 -0.168 0.000 1.040 329 I CA -1.900 59.154 61.300 -0.410 0.000 1.153 329 I CB 1.587 39.212 38.000 -0.624 0.000 1.274 329 I HN 0.411 nan 8.210 nan 0.000 0.469 330 P HA -0.255 nan 4.420 nan 0.000 0.216 330 P C 1.440 178.709 177.300 -0.053 0.000 1.167 330 P CA 1.407 64.488 63.100 -0.032 0.000 0.914 330 P CB 0.292 31.973 31.700 -0.032 0.000 0.793 331 E N -0.428 119.751 120.200 -0.035 0.000 2.187 331 E HA -0.231 4.119 4.350 0.000 0.000 0.199 331 E C 1.369 177.963 176.600 -0.009 0.000 1.004 331 E CA 1.225 57.623 56.400 -0.003 0.000 0.813 331 E CB -0.135 29.600 29.700 0.058 0.000 0.736 331 E HN 0.228 nan 8.360 nan 0.000 0.468 332 K N -0.344 120.034 120.400 -0.038 0.000 2.358 332 K HA 0.047 4.367 4.320 0.000 0.000 0.197 332 K C -0.221 176.338 176.600 -0.069 0.000 1.025 332 K CA -0.049 56.215 56.287 -0.038 0.000 1.104 332 K CB 0.757 33.235 32.500 -0.035 0.000 0.855 332 K HN -0.018 nan 8.250 nan 0.000 0.531 333 Q N 0.686 120.438 119.800 -0.081 0.000 2.439 333 Q HA -0.209 4.131 4.340 0.000 0.000 0.325 333 Q C -0.868 175.083 176.000 -0.081 0.000 1.372 333 Q CA 0.947 56.694 55.803 -0.093 0.000 0.909 333 Q CB -1.611 27.069 28.738 -0.097 0.000 1.167 333 Q HN 0.391 nan 8.270 nan 0.000 0.418 334 L N -0.550 120.623 121.223 -0.083 0.000 2.385 334 L HA 0.840 5.180 4.340 0.000 0.000 0.273 334 L C 0.316 177.136 176.870 -0.083 0.000 0.990 334 L CA -0.341 54.465 54.840 -0.056 0.000 0.821 334 L CB 2.009 44.022 42.059 -0.078 0.000 1.279 334 L HN 0.309 nan 8.230 nan 0.000 0.412 335 G N 4.006 112.785 108.800 -0.036 0.000 2.698 335 G HA2 0.603 4.563 3.960 0.000 0.000 0.293 335 G HA3 0.603 4.563 3.960 0.000 0.000 0.293 335 G C -2.275 172.634 174.900 0.014 0.000 1.437 335 G CA -0.402 44.676 45.100 -0.037 0.000 0.852 335 G HN 0.547 nan 8.290 nan 0.000 0.499 336 I N 0.320 120.902 120.570 0.019 0.000 2.769 336 I HA 0.698 4.868 4.170 0.000 0.000 0.298 336 I C -1.232 174.956 176.117 0.119 0.000 1.128 336 I CA -1.076 60.281 61.300 0.094 0.000 1.031 336 I CB 2.393 40.464 38.000 0.118 0.000 1.235 336 I HN 0.325 nan 8.210 nan 0.000 0.423 337 V N 7.535 127.552 119.914 0.172 0.000 2.483 337 V HA 0.493 4.613 4.120 0.000 0.000 0.297 337 V C -0.561 175.651 176.094 0.197 0.000 1.027 337 V CA -0.394 62.015 62.300 0.181 0.000 0.855 337 V CB 1.740 33.678 31.823 0.193 0.000 0.995 337 V HN 0.638 nan 8.190 nan 0.000 0.424 338 M N 6.540 126.261 119.600 0.202 0.000 2.093 338 M HA 0.580 5.060 4.480 0.000 0.000 0.297 338 M C -1.211 175.158 176.300 0.114 0.000 0.938 338 M CA -0.166 55.248 55.300 0.190 0.000 0.920 338 M CB 1.850 34.611 32.600 0.269 0.000 1.517 338 M HN 0.332 nan 8.290 nan 0.000 0.427 339 L N 3.119 124.291 121.223 -0.084 0.000 2.298 339 L HA 0.929 5.269 4.340 0.000 0.000 0.284 339 L C -0.263 176.372 176.870 -0.392 0.000 1.013 339 L CA -0.687 53.907 54.840 -0.410 0.000 0.824 339 L CB 1.422 42.843 42.059 -1.064 0.000 1.221 339 L HN 0.811 nan 8.230 nan 0.000 0.418 340 A N 2.507 125.380 122.820 0.089 0.000 2.386 340 A HA 0.572 4.892 4.320 0.000 0.000 0.311 340 A C -0.232 177.688 177.584 0.560 0.000 1.068 340 A CA -0.774 51.480 52.037 0.361 0.000 0.743 340 A CB 1.190 20.444 19.000 0.423 0.000 1.258 340 A HN 0.745 nan 8.150 nan 0.000 0.429 341 N N 1.113 120.084 118.700 0.452 0.000 2.758 341 N HA 0.296 5.036 4.740 0.000 0.000 0.293 341 N C -0.666 174.842 175.510 -0.003 0.000 1.273 341 N CA -0.291 52.749 53.050 -0.017 0.000 1.022 341 N CB 0.221 38.652 38.487 -0.094 0.000 1.334 341 N HN 0.558 nan 8.380 nan 0.000 0.519 342 K N -1.148 119.340 120.400 0.147 0.000 2.570 342 K HA 0.270 4.590 4.320 0.000 0.000 0.256 342 K C -1.549 175.231 176.600 0.301 0.000 0.939 342 K CA -0.466 55.930 56.287 0.183 0.000 0.833 342 K CB 1.305 33.901 32.500 0.159 0.000 1.318 342 K HN -0.092 nan 8.250 nan 0.000 0.433 343 S N 4.578 120.412 115.700 0.224 0.000 3.072 343 S HA 0.269 4.739 4.470 0.000 0.000 0.306 343 S C -0.669 174.039 174.600 0.179 0.000 1.207 343 S CA -0.546 57.765 58.200 0.185 0.000 1.008 343 S CB -0.746 62.534 63.200 0.133 0.000 1.390 343 S HN 0.445 nan 8.310 nan 0.000 0.523 344 Y N 2.720 123.060 120.300 0.067 0.000 2.432 344 Y HA 0.757 5.307 4.550 0.000 0.000 0.322 344 Y C -2.659 173.257 175.900 0.026 0.000 1.246 344 Y CA -3.739 54.385 58.100 0.039 0.000 1.268 344 Y CB -1.144 37.335 38.460 0.031 0.000 1.276 344 Y HN 0.283 nan 8.280 nan 0.000 0.499 345 P HA -0.038 nan 4.420 nan 0.000 0.263 345 P C 0.155 177.344 177.300 -0.185 0.000 1.175 345 P CA 0.332 63.396 63.100 -0.060 0.000 0.761 345 P CB 0.692 32.398 31.700 0.010 0.000 0.794 346 N N 4.081 122.676 118.700 -0.175 0.000 2.104 346 N HA -0.134 4.606 4.740 0.000 0.000 0.190 346 N C -0.869 174.527 175.510 -0.191 0.000 1.024 346 N CA 1.805 54.732 53.050 -0.205 0.000 0.853 346 N CB -1.810 36.589 38.487 -0.147 0.000 1.008 346 N HN 0.440 nan 8.380 nan 0.000 0.424 347 P HA -0.097 nan 4.420 nan 0.000 0.216 347 P C 1.116 178.373 177.300 -0.071 0.000 1.153 347 P CA 1.684 64.732 63.100 -0.087 0.000 0.858 347 P CB -0.099 31.567 31.700 -0.055 0.000 0.789 348 A N -0.328 122.476 122.820 -0.027 0.000 1.972 348 A HA -0.219 4.101 4.320 0.000 0.000 0.219 348 A C 2.165 179.800 177.584 0.084 0.000 1.169 348 A CA 1.458 53.536 52.037 0.069 0.000 0.635 348 A CB -0.874 18.253 19.000 0.211 0.000 0.810 348 A HN 0.143 nan 8.150 nan 0.000 0.446 349 R N -0.700 119.754 120.500 -0.077 0.000 2.057 349 R HA -0.026 4.314 4.340 0.000 0.000 0.229 349 R C 1.990 178.097 176.300 -0.321 0.000 1.136 349 R CA 1.374 57.382 56.100 -0.154 0.000 0.952 349 R CB -0.802 29.275 30.300 -0.371 0.000 0.848 349 R HN 0.330 nan 8.270 nan 0.000 0.430 350 V N 1.900 121.502 119.914 -0.521 0.000 2.392 350 V HA -0.273 3.847 4.120 0.000 0.000 0.249 350 V C 2.414 178.522 176.094 0.023 0.000 1.059 350 V CA 2.119 64.209 62.300 -0.351 0.000 1.051 350 V CB -0.634 31.084 31.823 -0.176 0.000 0.658 350 V HN 0.424 nan 8.190 nan 0.000 0.455 351 E N 0.634 120.835 120.200 0.003 0.000 2.017 351 E HA -0.241 4.109 4.350 0.000 0.000 0.193 351 E C 2.281 178.969 176.600 0.146 0.000 0.997 351 E CA 1.530 57.974 56.400 0.074 0.000 0.804 351 E CB -0.331 29.387 29.700 0.028 0.000 0.757 351 E HN 0.510 nan 8.360 nan 0.000 0.448 352 A N 1.300 124.190 122.820 0.117 0.000 1.883 352 A HA -0.177 4.143 4.320 0.000 0.000 0.217 352 A C 2.453 180.144 177.584 0.178 0.000 1.186 352 A CA 2.274 54.384 52.037 0.122 0.000 0.624 352 A CB -1.037 18.025 19.000 0.104 0.000 0.822 352 A HN 0.469 nan 8.150 nan 0.000 0.444 353 A N -1.803 121.170 122.820 0.254 0.000 1.908 353 A HA -0.142 4.179 4.320 0.000 0.000 0.218 353 A C 2.162 179.988 177.584 0.404 0.000 1.181 353 A CA 1.737 54.001 52.037 0.379 0.000 0.627 353 A CB -0.807 18.602 19.000 0.683 0.000 0.818 353 A HN 0.712 nan 8.150 nan 0.000 0.445 354 Y N 0.385 120.879 120.300 0.323 0.000 2.181 354 Y HA -0.186 4.364 4.550 0.000 0.000 0.288 354 Y C 2.541 178.550 175.900 0.182 0.000 1.146 354 Y CA 2.033 60.288 58.100 0.258 0.000 1.164 354 Y CB -0.214 38.281 38.460 0.058 0.000 0.982 354 Y HN 0.261 nan 8.280 nan 0.000 0.515 355 R N -0.290 120.354 120.500 0.239 0.000 2.120 355 R HA -0.149 4.191 4.340 0.000 0.000 0.234 355 R C 2.144 178.476 176.300 0.054 0.000 1.123 355 R CA 1.921 58.105 56.100 0.139 0.000 0.975 355 R CB -0.358 30.011 30.300 0.114 0.000 0.866 355 R HN 0.408 nan 8.270 nan 0.000 0.446 356 I N 0.248 120.851 120.570 0.055 0.000 2.277 356 I HA -0.216 3.954 4.170 0.000 0.000 0.243 356 I C 2.103 178.213 176.117 -0.011 0.000 1.094 356 I CA 0.975 62.280 61.300 0.007 0.000 1.393 356 I CB -0.129 37.878 38.000 0.012 0.000 1.078 356 I HN 0.103 nan 8.210 nan 0.000 0.417 357 L N 0.457 121.684 121.223 0.007 0.000 2.083 357 L HA -0.180 4.160 4.340 0.000 0.000 0.209 357 L C 2.805 179.656 176.870 -0.031 0.000 1.083 357 L CA 1.727 56.554 54.840 -0.022 0.000 0.752 357 L CB -0.812 41.227 42.059 -0.033 0.000 0.899 357 L HN 0.395 nan 8.230 nan 0.000 0.433 358 S N 0.386 116.034 115.700 -0.087 0.000 2.419 358 S HA -0.113 4.357 4.470 0.000 0.000 0.233 358 S C 1.805 176.424 174.600 0.032 0.000 1.016 358 S CA 0.819 58.999 58.200 -0.034 0.000 0.974 358 S CB -0.253 62.870 63.200 -0.129 0.000 0.786 358 S HN 0.339 nan 8.310 nan 0.000 0.492 359 A N 0.671 123.496 122.820 0.009 0.000 2.302 359 A HA 0.600 4.921 4.320 0.000 0.000 0.219 359 A C 0.602 178.188 177.584 0.003 0.000 1.243 359 A CA -0.298 51.744 52.037 0.008 0.000 0.856 359 A CB -0.346 18.645 19.000 -0.015 0.000 0.893 359 A HN 0.563 nan 8.150 nan 0.000 0.491 360 L N 0.000 121.243 121.223 0.033 0.000 2.949 360 L HA 0.000 4.340 4.340 0.000 0.000 0.249 360 L CA 0.000 54.887 54.840 0.078 0.000 0.813 360 L CB 0.000 42.079 42.059 0.034 0.000 0.961 360 L HN 0.000 nan 8.230 nan 0.000 0.502