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 3q8n_1_C DATA FIRST_RESID 11 DATA SEQUENCE TLTQERRLVT AIPGPISQEL QARKQSAVAA GVGVTLPVYV VAAGGGVLAD DATA SEQUENCE ADGNQLIDFG SGIAVTTVGN SAPAVVDAVT QQVAAFTHTC FMVTPYEGYV DATA SEQUENCE KVAEHLNRLT PGDHEKRTAL FNSGAEAVEN AVKIARAYTR RQAVVVFDHA DATA SEQUENCE YHGRTNLTMA MTAKNQPYKH GFGPFANEVY RVPTSYPFRD GETDGAAAAA DATA SEQUENCE HALDLINKQV GADNVAAVVI EPVHGEGGFV VPAPGFLGAL QKWCTDNGAV DATA SEQUENCE FVADEVQTGF ARTGALFACE HENVVPDLIV TAKGIAGGLP LSAVTGRAEI DATA SEQUENCE MDGPQSGGLG GTYGGNPLAC AAALAVIDTI ERENLVARAR AIGETMLSRL DATA SEQUENCE GALAAADPRI GEVRGRGAMI AVELVKPGTT EPDADLTKRV AAAAHAQGLV DATA SEQUENCE VLTCGTYGNV LRFLPPLSMP DHLLDEGLDI LAAVFAEVK 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.706 174.700 0.009 0.000 1.109 11 T CA 0.000 62.104 62.100 0.006 0.000 1.349 11 T CB 0.000 68.871 68.868 0.006 0.000 0.612 12 L N 3.925 125.155 121.223 0.011 0.000 2.257 12 L HA 0.595 4.934 4.340 -0.001 0.000 0.290 12 L C -0.099 176.784 176.870 0.022 0.000 1.044 12 L CA -0.040 54.809 54.840 0.015 0.000 0.810 12 L CB 1.275 43.343 42.059 0.014 0.000 1.193 12 L HN 0.239 nan 8.230 nan 0.000 0.425 13 T N 3.967 118.536 114.554 0.025 0.000 2.851 13 T HA 0.162 4.511 4.350 -0.001 0.000 0.298 13 T C 0.264 174.994 174.700 0.050 0.000 0.977 13 T CA -0.422 61.699 62.100 0.035 0.000 1.126 13 T CB 0.508 69.394 68.868 0.030 0.000 0.916 13 T HN 0.342 nan 8.240 nan 0.000 0.529 14 Q N 3.954 123.800 119.800 0.076 0.000 2.837 14 Q HA 0.148 4.487 4.340 -0.001 0.000 0.235 14 Q C 0.356 176.451 176.000 0.157 0.000 1.348 14 Q CA 0.112 55.977 55.803 0.104 0.000 0.990 14 Q CB -0.344 28.479 28.738 0.143 0.000 1.570 14 Q HN 0.814 nan 8.270 nan 0.000 0.575 15 E N -0.116 120.142 120.200 0.096 0.000 2.372 15 E HA 0.412 4.761 4.350 -0.001 0.000 0.279 15 E C -1.140 175.487 176.600 0.045 0.000 0.946 15 E CA -0.982 55.479 56.400 0.101 0.000 0.769 15 E CB 1.731 31.489 29.700 0.097 0.000 1.230 15 E HN 0.166 nan 8.360 nan 0.000 0.442 16 R N 1.814 122.333 120.500 0.032 0.000 2.490 16 R HA 0.327 4.666 4.340 -0.001 0.000 0.280 16 R C -0.519 175.788 176.300 0.012 0.000 1.077 16 R CA -0.237 55.867 56.100 0.007 0.000 1.065 16 R CB 0.894 31.189 30.300 -0.009 0.000 1.003 16 R HN 0.647 nan 8.270 nan 0.000 0.470 17 R N 5.220 125.724 120.500 0.006 0.000 2.531 17 R HA 0.249 4.588 4.340 -0.001 0.000 0.293 17 R C -1.636 174.666 176.300 0.004 0.000 1.124 17 R CA -0.493 55.612 56.100 0.007 0.000 0.945 17 R CB 0.917 31.224 30.300 0.011 0.000 1.195 17 R HN 0.547 nan 8.270 nan 0.000 0.433 18 L N 5.389 126.613 121.223 0.002 0.000 2.301 18 L HA 0.378 4.718 4.340 -0.001 0.000 0.278 18 L C 0.580 177.452 176.870 0.003 0.000 1.022 18 L CA -0.422 54.419 54.840 0.002 0.000 0.854 18 L CB 1.834 43.893 42.059 -0.001 0.000 1.226 18 L HN 0.482 nan 8.230 nan 0.000 0.429 19 V N 0.960 120.877 119.914 0.005 0.000 3.085 19 V HA 0.062 4.181 4.120 -0.001 0.000 0.245 19 V C 1.038 177.135 176.094 0.005 0.000 1.114 19 V CA 1.309 63.612 62.300 0.005 0.000 1.108 19 V CB 1.035 32.862 31.823 0.006 0.000 0.798 19 V HN 0.888 nan 8.190 nan 0.000 0.471 20 T N -2.401 112.157 114.554 0.006 0.000 2.864 20 T HA 0.779 5.128 4.350 -0.001 0.000 0.289 20 T C -0.104 174.601 174.700 0.007 0.000 1.082 20 T CA -0.105 61.999 62.100 0.007 0.000 1.009 20 T CB 1.912 70.785 68.868 0.009 0.000 1.234 20 T HN 0.284 nan 8.240 nan 0.000 0.526 21 A N 1.082 123.907 122.820 0.007 0.000 2.507 21 A HA 0.499 4.818 4.320 -0.001 0.000 0.235 21 A C 0.257 177.849 177.584 0.013 0.000 1.070 21 A CA -0.425 51.617 52.037 0.009 0.000 0.768 21 A CB -0.525 18.479 19.000 0.008 0.000 1.011 21 A HN 0.710 nan 8.150 nan 0.000 0.502 22 I N 3.576 124.155 120.570 0.014 0.000 2.307 22 I HA 0.304 4.473 4.170 -0.001 0.000 0.289 22 I C -1.779 174.351 176.117 0.022 0.000 1.021 22 I CA -2.280 59.030 61.300 0.017 0.000 1.224 22 I CB 0.450 38.462 38.000 0.020 0.000 1.376 22 I HN 0.503 nan 8.210 nan 0.000 0.470 23 P HA 0.385 nan 4.420 nan 0.000 0.281 23 P C 0.098 177.416 177.300 0.030 0.000 1.249 23 P CA -0.197 62.922 63.100 0.031 0.000 0.810 23 P CB 1.589 33.318 31.700 0.049 0.000 1.008 24 G N 1.458 110.277 108.800 0.032 0.000 2.535 24 G HA2 0.323 4.282 3.960 -0.001 0.000 0.282 24 G HA3 0.323 4.282 3.960 -0.001 0.000 0.282 24 G C -1.665 173.247 174.900 0.020 0.000 1.350 24 G CA -1.001 44.112 45.100 0.022 0.000 1.039 24 G HN 0.287 nan 8.290 nan 0.000 0.509 25 P HA -0.034 nan 4.420 nan 0.000 0.217 25 P C 1.921 179.216 177.300 -0.009 0.000 1.151 25 P CA 0.606 63.707 63.100 0.001 0.000 0.828 25 P CB 0.186 31.885 31.700 -0.002 0.000 0.788 26 I N 0.052 120.618 120.570 -0.008 0.000 2.202 26 I HA -0.136 4.033 4.170 -0.001 0.000 0.242 26 I C 2.316 178.406 176.117 -0.047 0.000 1.091 26 I CA 1.428 62.713 61.300 -0.026 0.000 1.368 26 I CB -1.948 36.044 38.000 -0.014 0.000 1.058 26 I HN -0.048 nan 8.210 nan 0.000 0.410 27 S N 0.453 116.159 115.700 0.010 0.000 2.383 27 S HA -0.243 4.227 4.470 -0.001 0.000 0.229 27 S C 1.923 176.533 174.600 0.016 0.000 1.030 27 S CA 1.307 59.547 58.200 0.068 0.000 1.002 27 S CB -0.276 63.035 63.200 0.186 0.000 0.829 27 S HN 0.514 nan 8.310 nan 0.000 0.467 28 Q N 0.412 120.220 119.800 0.012 0.000 2.119 28 Q HA -0.130 4.209 4.340 -0.001 0.000 0.201 28 Q C 2.296 178.274 176.000 -0.037 0.000 0.972 28 Q CA 1.261 57.067 55.803 0.006 0.000 0.847 28 Q CB -0.121 28.622 28.738 0.009 0.000 0.903 28 Q HN 0.645 nan 8.270 nan 0.000 0.433 29 E N 0.664 120.825 120.200 -0.066 0.000 2.152 29 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 29 E C 1.854 178.363 176.600 -0.153 0.000 0.983 29 E CA 0.461 56.810 56.400 -0.085 0.000 0.818 29 E CB 0.067 29.725 29.700 -0.071 0.000 0.758 29 E HN 0.302 nan 8.360 nan 0.000 0.467 30 L N 0.582 121.637 121.223 -0.280 0.000 2.056 30 L HA -0.183 4.157 4.340 -0.001 0.000 0.207 30 L C 2.791 179.397 176.870 -0.440 0.000 1.078 30 L CA 1.209 55.727 54.840 -0.537 0.000 0.749 30 L CB -0.376 41.005 42.059 -1.129 0.000 0.901 30 L HN 0.190 nan 8.230 nan 0.000 0.433 31 Q N 0.337 120.003 119.800 -0.224 0.000 2.096 31 Q HA -0.199 4.140 4.340 -0.001 0.000 0.204 31 Q C 2.181 178.189 176.000 0.013 0.000 0.982 31 Q CA 2.113 57.950 55.803 0.057 0.000 0.850 31 Q CB -0.274 28.556 28.738 0.153 0.000 0.901 31 Q HN 0.449 nan 8.270 nan 0.000 0.422 32 A N 0.218 123.024 122.820 -0.024 0.000 1.933 32 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 32 A C 2.080 179.650 177.584 -0.023 0.000 1.175 32 A CA 1.512 53.540 52.037 -0.016 0.000 0.628 32 A CB -0.461 18.527 19.000 -0.021 0.000 0.814 32 A HN 0.410 nan 8.150 nan 0.000 0.444 33 R N -0.511 119.956 120.500 -0.054 0.000 2.096 33 R HA -0.120 4.219 4.340 -0.001 0.000 0.235 33 R C 2.345 178.637 176.300 -0.013 0.000 1.127 33 R CA 1.410 57.483 56.100 -0.045 0.000 0.968 33 R CB -0.224 30.029 30.300 -0.079 0.000 0.861 33 R HN 0.412 nan 8.270 nan 0.000 0.440 34 K N 1.465 121.869 120.400 0.007 0.000 2.026 34 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 34 K C 1.860 178.488 176.600 0.047 0.000 1.048 34 K CA 1.700 58.023 56.287 0.060 0.000 0.929 34 K CB 0.005 32.593 32.500 0.147 0.000 0.713 34 K HN 0.253 nan 8.250 nan 0.000 0.439 35 Q N -0.122 119.702 119.800 0.040 0.000 2.170 35 Q HA -0.113 4.226 4.340 -0.001 0.000 0.203 35 Q C 2.258 178.272 176.000 0.023 0.000 0.976 35 Q CA 2.022 57.844 55.803 0.032 0.000 0.858 35 Q CB -0.187 28.567 28.738 0.028 0.000 0.907 35 Q HN 0.516 nan 8.270 nan 0.000 0.433 36 S N -0.343 115.365 115.700 0.015 0.000 2.489 36 S HA 0.225 4.694 4.470 -0.001 0.000 0.228 36 S C 1.702 176.310 174.600 0.014 0.000 0.995 36 S CA 0.943 59.149 58.200 0.011 0.000 0.934 36 S CB 0.081 63.283 63.200 0.003 0.000 0.771 36 S HN 0.329 nan 8.310 nan 0.000 0.522 37 A N -0.148 122.683 122.820 0.018 0.000 2.026 37 A HA 0.600 4.919 4.320 -0.001 0.000 0.198 37 A C 0.614 178.214 177.584 0.027 0.000 1.390 37 A CA 0.268 52.317 52.037 0.020 0.000 0.915 37 A CB 0.356 19.366 19.000 0.017 0.000 0.974 37 A HN 0.267 nan 8.150 nan 0.000 0.477 38 V N 1.151 121.086 119.914 0.034 0.000 2.617 38 V HA 0.607 4.726 4.120 -0.001 0.000 0.298 38 V C 0.776 176.893 176.094 0.038 0.000 1.048 38 V CA -0.681 61.642 62.300 0.039 0.000 0.964 38 V CB 1.136 32.989 31.823 0.050 0.000 1.004 38 V HN 0.509 nan 8.190 nan 0.000 0.466 39 A N 3.202 126.045 122.820 0.038 0.000 2.511 39 A HA 0.497 4.817 4.320 -0.001 0.000 0.242 39 A C 1.555 179.167 177.584 0.045 0.000 1.069 39 A CA 0.416 52.477 52.037 0.041 0.000 0.763 39 A CB 0.193 19.219 19.000 0.042 0.000 1.001 39 A HN 1.410 nan 8.150 nan 0.000 0.498 40 A N 2.740 125.587 122.820 0.046 0.000 2.024 40 A HA 0.041 4.360 4.320 -0.001 0.000 0.220 40 A C 2.194 179.811 177.584 0.054 0.000 1.164 40 A CA 2.137 54.202 52.037 0.046 0.000 0.643 40 A CB -1.059 17.966 19.000 0.042 0.000 0.806 40 A HN 1.471 nan 8.150 nan 0.000 0.451 41 G N -0.698 108.142 108.800 0.068 0.000 2.462 41 G HA2 0.031 3.991 3.960 -0.001 0.000 0.220 41 G HA3 0.031 3.991 3.960 -0.001 0.000 0.220 41 G C 0.639 175.584 174.900 0.074 0.000 1.121 41 G CA 0.949 46.101 45.100 0.087 0.000 0.758 41 G HN 0.361 nan 8.290 nan 0.000 0.559 42 V N 2.050 121.999 119.914 0.058 0.000 2.276 42 V HA 0.465 4.584 4.120 -0.001 0.000 0.249 42 V C 1.141 177.259 176.094 0.040 0.000 1.160 42 V CA -0.479 61.850 62.300 0.049 0.000 1.042 42 V CB 0.063 31.911 31.823 0.042 0.000 1.224 42 V HN 0.238 nan 8.190 nan 0.000 0.496 43 G N 3.280 112.103 108.800 0.038 0.000 2.467 43 G HA2 0.474 4.434 3.960 -0.001 0.000 0.257 43 G HA3 0.474 4.434 3.960 -0.001 0.000 0.257 43 G C -0.619 174.286 174.900 0.009 0.000 1.227 43 G CA -0.281 44.834 45.100 0.025 0.000 0.835 43 G HN 0.449 nan 8.290 nan 0.000 0.556 44 V N 2.038 121.951 119.914 -0.002 0.000 2.378 44 V HA 0.196 4.316 4.120 -0.001 0.000 0.288 44 V C 1.167 177.239 176.094 -0.037 0.000 1.016 44 V CA -0.389 61.892 62.300 -0.031 0.000 0.840 44 V CB 1.261 33.058 31.823 -0.043 0.000 0.994 44 V HN 0.899 nan 8.190 nan 0.000 0.431 45 T N 4.536 119.060 114.554 -0.050 0.000 2.708 45 T HA -0.049 4.301 4.350 -0.001 0.000 0.266 45 T C 0.445 175.091 174.700 -0.090 0.000 1.037 45 T CA 1.444 63.515 62.100 -0.048 0.000 1.146 45 T CB -0.077 68.762 68.868 -0.048 0.000 0.865 45 T HN 0.290 nan 8.240 nan 0.000 0.435 46 L N 2.841 123.968 121.223 -0.161 0.000 2.471 46 L HA 0.418 4.757 4.340 -0.001 0.000 0.263 46 L C -2.631 174.136 176.870 -0.171 0.000 0.985 46 L CA -2.221 52.490 54.840 -0.216 0.000 0.868 46 L CB 1.740 43.549 42.059 -0.417 0.000 1.203 46 L HN -0.174 nan 8.230 nan 0.000 0.429 47 P HA 0.142 nan 4.420 nan 0.000 0.218 47 P C -0.576 176.707 177.300 -0.029 0.000 1.793 47 P CA -0.036 63.013 63.100 -0.086 0.000 0.941 47 P CB 0.041 31.764 31.700 0.038 0.000 1.919 48 V N -1.232 118.615 119.914 -0.112 0.000 2.394 48 V HA 0.450 4.569 4.120 -0.001 0.000 0.282 48 V C -0.604 175.420 176.094 -0.116 0.000 1.031 48 V CA -1.085 61.197 62.300 -0.030 0.000 0.881 48 V CB 0.410 32.208 31.823 -0.041 0.000 0.982 48 V HN 0.003 nan 8.190 nan 0.000 0.451 49 Y N 3.476 123.764 120.300 -0.020 0.000 2.404 49 Y HA 0.502 5.051 4.550 -0.001 0.000 0.344 49 Y C 0.605 176.497 175.900 -0.014 0.000 0.995 49 Y CA -0.253 57.838 58.100 -0.016 0.000 1.201 49 Y CB 1.497 39.950 38.460 -0.012 0.000 1.151 49 Y HN 0.596 nan 8.280 nan 0.000 0.517 50 V N 5.584 125.513 119.914 0.024 0.000 2.555 50 V HA 0.056 4.175 4.120 -0.001 0.000 0.286 50 V C 0.792 176.912 176.094 0.043 0.000 1.044 50 V CA 0.130 62.439 62.300 0.015 0.000 1.026 50 V CB 1.047 32.855 31.823 -0.024 0.000 0.981 50 V HN 0.808 nan 8.190 nan 0.000 0.480 51 V N 1.611 121.545 119.914 0.033 0.000 3.455 51 V HA 0.773 4.893 4.120 -0.001 0.000 0.250 51 V C 0.535 176.639 176.094 0.016 0.000 1.230 51 V CA 0.715 63.033 62.300 0.029 0.000 1.105 51 V CB 0.238 32.079 31.823 0.029 0.000 0.850 51 V HN 0.955 nan 8.190 nan 0.000 0.461 52 A N -0.428 122.398 122.820 0.011 0.000 2.606 52 A HA 0.989 5.309 4.320 -0.001 0.000 0.293 52 A C -0.776 176.810 177.584 0.004 0.000 1.082 52 A CA -0.074 51.967 52.037 0.006 0.000 0.685 52 A CB 1.556 20.560 19.000 0.007 0.000 1.284 52 A HN 1.810 nan 8.150 nan 0.000 0.408 53 A N -0.357 122.464 122.820 0.002 0.000 2.589 53 A HA 0.983 5.302 4.320 -0.001 0.000 0.296 53 A C -0.303 177.282 177.584 0.002 0.000 1.062 53 A CA 0.028 52.066 52.037 0.002 0.000 0.686 53 A CB 1.380 20.379 19.000 -0.001 0.000 1.282 53 A HN 2.698 nan 8.150 nan 0.000 0.404 54 G N -0.777 108.026 108.800 0.006 0.000 2.442 54 G HA2 0.719 4.678 3.960 -0.001 0.000 0.296 54 G HA3 0.719 4.678 3.960 -0.001 0.000 0.296 54 G C 0.496 175.402 174.900 0.010 0.000 1.564 54 G CA 1.139 46.242 45.100 0.005 0.000 0.828 54 G HN 2.604 nan 8.290 nan 0.000 0.571 55 G N 0.432 109.237 108.800 0.008 0.000 2.595 55 G HA2 0.171 4.131 3.960 -0.001 0.000 0.297 55 G HA3 0.171 4.131 3.960 -0.001 0.000 0.297 55 G C 1.267 176.174 174.900 0.012 0.000 1.181 55 G CA 1.414 46.520 45.100 0.010 0.000 0.963 55 G HN 2.274 nan 8.290 nan 0.000 0.541 56 G N -0.724 108.085 108.800 0.015 0.000 3.519 56 G HA2 0.554 4.514 3.960 -0.001 0.000 0.269 56 G HA3 0.554 4.514 3.960 -0.001 0.000 0.269 56 G C -0.325 174.598 174.900 0.039 0.000 1.028 56 G CA 1.062 46.181 45.100 0.031 0.000 0.809 56 G HN 1.210 nan 8.290 nan 0.000 0.521 57 V N 1.026 120.955 119.914 0.025 0.000 2.656 57 V HA 0.520 4.639 4.120 -0.001 0.000 0.307 57 V C -0.674 175.429 176.094 0.015 0.000 1.051 57 V CA -0.744 61.567 62.300 0.019 0.000 0.893 57 V CB 2.277 34.110 31.823 0.016 0.000 0.999 57 V HN 0.127 nan 8.190 nan 0.000 0.426 58 L N 4.102 125.330 121.223 0.009 0.000 2.296 58 L HA 0.814 5.153 4.340 -0.001 0.000 0.286 58 L C 0.204 177.075 176.870 0.001 0.000 1.023 58 L CA -0.438 54.403 54.840 0.001 0.000 0.812 58 L CB 1.752 43.806 42.059 -0.008 0.000 1.223 58 L HN 0.727 nan 8.230 nan 0.000 0.421 59 A N 2.285 125.108 122.820 0.004 0.000 2.288 59 A HA 0.606 4.925 4.320 -0.001 0.000 0.320 59 A C -0.852 176.739 177.584 0.012 0.000 1.217 59 A CA -0.640 51.402 52.037 0.008 0.000 0.840 59 A CB 0.651 19.657 19.000 0.011 0.000 1.179 59 A HN 0.725 nan 8.150 nan 0.000 0.504 60 D N 1.602 122.012 120.400 0.016 0.000 2.385 60 D HA 0.518 5.158 4.640 -0.001 0.000 0.254 60 D C 0.959 177.283 176.300 0.041 0.000 1.053 60 D CA -0.054 53.965 54.000 0.031 0.000 0.992 60 D CB 1.280 42.098 40.800 0.030 0.000 1.145 60 D HN 0.350 nan 8.370 nan 0.000 0.523 61 A N 0.162 123.020 122.820 0.065 0.000 2.131 61 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 61 A C 1.328 178.929 177.584 0.030 0.000 1.158 61 A CA 1.259 53.325 52.037 0.049 0.000 0.665 61 A CB -0.545 18.490 19.000 0.059 0.000 0.795 61 A HN 0.621 nan 8.150 nan 0.000 0.460 62 D N -1.581 118.837 120.400 0.031 0.000 2.339 62 D HA 0.238 4.877 4.640 -0.001 0.000 0.217 62 D C 1.307 177.615 176.300 0.015 0.000 1.050 62 D CA 0.955 54.966 54.000 0.019 0.000 0.856 62 D CB 0.303 41.115 40.800 0.020 0.000 0.922 62 D HN 0.586 nan 8.370 nan 0.000 0.518 63 G N 1.349 110.158 108.800 0.016 0.000 2.176 63 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.232 63 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.232 63 G C 0.296 175.203 174.900 0.011 0.000 0.986 63 G CA -0.472 44.636 45.100 0.012 0.000 0.643 63 G HN 0.171 nan 8.290 nan 0.000 0.522 64 N N 0.842 119.549 118.700 0.012 0.000 2.482 64 N HA 0.384 5.123 4.740 -0.001 0.000 0.260 64 N C 0.118 175.633 175.510 0.007 0.000 1.236 64 N CA 0.407 53.462 53.050 0.009 0.000 0.938 64 N CB 0.481 38.973 38.487 0.007 0.000 1.128 64 N HN 0.515 nan 8.380 nan 0.000 0.448 65 Q N 1.469 121.272 119.800 0.005 0.000 2.309 65 Q HA 0.422 4.761 4.340 -0.001 0.000 0.270 65 Q C -1.008 174.990 176.000 -0.003 0.000 1.023 65 Q CA -0.665 55.140 55.803 0.004 0.000 0.758 65 Q CB 1.731 30.475 28.738 0.010 0.000 1.247 65 Q HN 0.298 nan 8.270 nan 0.000 0.455 66 L N 2.455 123.674 121.223 -0.007 0.000 2.334 66 L HA 0.495 4.834 4.340 -0.001 0.000 0.275 66 L C -0.036 176.824 176.870 -0.016 0.000 1.036 66 L CA -0.432 54.397 54.840 -0.018 0.000 0.807 66 L CB 1.186 43.231 42.059 -0.022 0.000 1.231 66 L HN 0.516 nan 8.230 nan 0.000 0.438 67 I N 1.554 122.099 120.570 -0.041 0.000 2.496 67 I HA 0.076 4.245 4.170 -0.001 0.000 0.285 67 I C -0.174 175.952 176.117 0.016 0.000 1.080 67 I CA -0.128 61.152 61.300 -0.034 0.000 1.404 67 I CB 0.805 38.723 38.000 -0.137 0.000 1.403 67 I HN 0.560 nan 8.210 nan 0.000 0.539 68 D N 6.652 127.124 120.400 0.120 0.000 2.456 68 D HA 0.179 4.818 4.640 -0.001 0.000 0.219 68 D C -0.081 176.454 176.300 0.390 0.000 1.126 68 D CA -0.226 53.877 54.000 0.173 0.000 0.890 68 D CB 0.393 41.254 40.800 0.102 0.000 1.025 68 D HN 0.196 nan 8.370 nan 0.000 0.511 69 F N 1.728 121.720 119.950 0.070 0.000 2.660 69 F HA 0.363 4.890 4.527 -0.001 0.000 0.297 69 F C 1.786 177.661 175.800 0.124 0.000 1.132 69 F CA -0.527 57.544 58.000 0.119 0.000 1.372 69 F CB 0.791 39.908 39.000 0.195 0.000 1.003 69 F HN 0.502 nan 8.300 nan 0.000 0.524 70 G N -2.172 106.763 108.800 0.226 0.000 2.727 70 G HA2 0.071 4.031 3.960 -0.001 0.000 0.207 70 G HA3 0.071 4.031 3.960 -0.001 0.000 0.207 70 G C 0.963 175.917 174.900 0.091 0.000 1.060 70 G CA 0.477 45.660 45.100 0.139 0.000 0.814 70 G HN 0.027 nan 8.290 nan 0.000 0.576 71 S N -0.898 114.848 115.700 0.076 0.000 3.445 71 S HA -0.157 4.312 4.470 -0.001 0.000 0.319 71 S C 1.671 176.288 174.600 0.029 0.000 1.209 71 S CA 1.482 59.709 58.200 0.044 0.000 0.934 71 S CB -1.454 61.770 63.200 0.040 0.000 0.999 71 S HN 2.195 nan 8.310 nan 0.000 0.582 72 G N 0.732 109.548 108.800 0.026 0.000 2.221 72 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.265 72 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.265 72 G C 0.301 175.214 174.900 0.020 0.000 1.041 72 G CA 0.026 45.133 45.100 0.012 0.000 0.807 72 G HN 1.634 nan 8.290 nan 0.000 0.502 73 I N -3.641 116.949 120.570 0.034 0.000 6.631 73 I HA -0.180 3.989 4.170 -0.001 0.000 0.126 73 I C 1.396 177.544 176.117 0.051 0.000 1.826 73 I CA 0.589 61.917 61.300 0.047 0.000 2.046 73 I CB -2.000 36.021 38.000 0.034 0.000 3.516 73 I HN 2.238 nan 8.210 nan 0.000 0.172 74 A N 0.289 123.141 122.820 0.052 0.000 2.945 74 A HA -0.173 4.146 4.320 -0.001 0.000 0.251 74 A C 0.982 178.581 177.584 0.024 0.000 1.355 74 A CA 1.166 53.227 52.037 0.039 0.000 0.905 74 A CB -1.828 17.194 19.000 0.037 0.000 1.104 74 A HN 0.738 nan 8.150 nan 0.000 0.733 75 V N -0.165 119.758 119.914 0.016 0.000 2.521 75 V HA -0.007 4.113 4.120 -0.001 0.000 0.239 75 V C 1.990 178.072 176.094 -0.020 0.000 1.053 75 V CA 2.094 64.392 62.300 -0.003 0.000 1.073 75 V CB -0.212 31.608 31.823 -0.004 0.000 0.746 75 V HN 1.171 nan 8.190 nan 0.000 0.476 76 T N -1.613 112.934 114.554 -0.013 0.000 3.820 76 T HA 0.042 4.391 4.350 -0.001 0.000 0.224 76 T C 1.143 175.832 174.700 -0.018 0.000 0.869 76 T CA 0.423 62.510 62.100 -0.021 0.000 0.932 76 T CB -0.202 68.658 68.868 -0.014 0.000 1.259 76 T HN 0.343 nan 8.240 nan 0.000 0.676 77 T N 1.587 116.127 114.554 -0.022 0.000 2.759 77 T HA -0.124 4.225 4.350 -0.001 0.000 0.269 77 T C 2.061 176.745 174.700 -0.026 0.000 1.042 77 T CA 1.698 63.786 62.100 -0.020 0.000 1.140 77 T CB -0.346 68.514 68.868 -0.013 0.000 0.864 77 T HN 0.696 nan 8.240 nan 0.000 0.455 78 V N -1.045 118.847 119.914 -0.036 0.000 3.646 78 V HA 0.574 4.694 4.120 -0.001 0.000 0.277 78 V C 0.832 176.909 176.094 -0.028 0.000 1.274 78 V CA 0.079 62.358 62.300 -0.035 0.000 1.164 78 V CB -1.415 30.380 31.823 -0.047 0.000 0.926 78 V HN 0.626 nan 8.190 nan 0.000 0.442 79 G N 0.351 109.138 108.800 -0.023 0.000 2.697 79 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.686 79 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.686 79 G C -0.663 174.226 174.900 -0.019 0.000 1.179 79 G CA -0.327 44.764 45.100 -0.016 0.000 0.765 79 G HN 0.478 nan 8.290 nan 0.000 0.649 80 N N 0.375 119.068 118.700 -0.012 0.000 2.492 80 N HA 0.320 5.059 4.740 -0.001 0.000 0.262 80 N C 1.082 176.582 175.510 -0.016 0.000 1.202 80 N CA 1.106 54.148 53.050 -0.015 0.000 0.926 80 N CB 0.529 39.011 38.487 -0.008 0.000 1.078 80 N HN 1.209 nan 8.380 nan 0.000 0.454 81 S N -0.046 115.641 115.700 -0.022 0.000 3.524 81 S HA -0.204 4.265 4.470 -0.001 0.000 0.377 81 S C 0.059 174.646 174.600 -0.022 0.000 0.949 81 S CA 0.492 58.679 58.200 -0.023 0.000 1.264 81 S CB -1.285 61.905 63.200 -0.017 0.000 0.918 81 S HN 0.783 nan 8.310 nan 0.000 0.517 82 A N 2.032 124.835 122.820 -0.028 0.000 2.477 82 A HA 0.478 4.797 4.320 -0.001 0.000 0.246 82 A C -0.049 177.519 177.584 -0.026 0.000 1.078 82 A CA -0.959 51.062 52.037 -0.027 0.000 0.770 82 A CB 0.163 19.143 19.000 -0.034 0.000 1.011 82 A HN 0.344 nan 8.150 nan 0.000 0.494 83 P HA -0.227 nan 4.420 nan 0.000 0.216 83 P C 1.413 178.698 177.300 -0.024 0.000 1.150 83 P CA 2.238 65.327 63.100 -0.019 0.000 0.843 83 P CB 0.060 31.751 31.700 -0.014 0.000 0.787 84 A N -0.446 122.357 122.820 -0.028 0.000 1.969 84 A HA -0.073 4.247 4.320 -0.001 0.000 0.218 84 A C 2.432 179.992 177.584 -0.040 0.000 1.169 84 A CA 1.450 53.467 52.037 -0.032 0.000 0.635 84 A CB -1.492 17.487 19.000 -0.035 0.000 0.810 84 A HN 0.069 nan 8.150 nan 0.000 0.445 85 V N -0.467 119.421 119.914 -0.044 0.000 2.307 85 V HA -0.205 3.915 4.120 -0.001 0.000 0.245 85 V C 2.570 178.636 176.094 -0.046 0.000 1.045 85 V CA 1.880 64.149 62.300 -0.051 0.000 1.024 85 V CB -0.773 31.016 31.823 -0.056 0.000 0.651 85 V HN 0.357 nan 8.190 nan 0.000 0.449 86 V N 0.853 120.744 119.914 -0.037 0.000 2.287 86 V HA -0.330 3.790 4.120 -0.001 0.000 0.248 86 V C 2.380 178.455 176.094 -0.033 0.000 1.053 86 V CA 2.581 64.861 62.300 -0.033 0.000 1.027 86 V CB -0.733 31.075 31.823 -0.025 0.000 0.646 86 V HN 0.706 nan 8.190 nan 0.000 0.447 87 D N 0.279 120.661 120.400 -0.030 0.000 2.097 87 D HA -0.143 4.497 4.640 -0.001 0.000 0.195 87 D C 2.109 178.388 176.300 -0.035 0.000 0.989 87 D CA 1.697 55.681 54.000 -0.028 0.000 0.827 87 D CB -0.236 40.550 40.800 -0.023 0.000 0.966 87 D HN 0.350 nan 8.370 nan 0.000 0.456 88 A N -0.108 122.688 122.820 -0.040 0.000 1.933 88 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 88 A C 2.541 180.088 177.584 -0.061 0.000 1.175 88 A CA 1.712 53.721 52.037 -0.048 0.000 0.628 88 A CB -0.769 18.201 19.000 -0.050 0.000 0.814 88 A HN 0.243 nan 8.150 nan 0.000 0.444 89 V N -0.624 119.254 119.914 -0.061 0.000 2.453 89 V HA -0.159 3.960 4.120 -0.001 0.000 0.247 89 V C 2.682 178.736 176.094 -0.067 0.000 1.048 89 V CA 2.263 64.521 62.300 -0.070 0.000 1.049 89 V CB -1.002 30.784 31.823 -0.062 0.000 0.672 89 V HN 0.591 nan 8.190 nan 0.000 0.457 90 T N -0.779 113.744 114.554 -0.052 0.000 2.746 90 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 90 T C 1.990 176.661 174.700 -0.048 0.000 1.039 90 T CA 1.212 63.286 62.100 -0.043 0.000 1.142 90 T CB -0.191 68.658 68.868 -0.031 0.000 0.866 90 T HN 0.363 nan 8.240 nan 0.000 0.444 91 Q N 0.652 120.422 119.800 -0.050 0.000 2.049 91 Q HA -0.070 4.269 4.340 -0.001 0.000 0.198 91 Q C 2.450 178.401 176.000 -0.082 0.000 0.971 91 Q CA 1.294 57.067 55.803 -0.050 0.000 0.833 91 Q CB -0.448 28.266 28.738 -0.039 0.000 0.896 91 Q HN 0.446 nan 8.270 nan 0.000 0.434 92 Q N 0.727 120.457 119.800 -0.118 0.000 2.050 92 Q HA -0.107 4.233 4.340 -0.001 0.000 0.202 92 Q C 1.994 177.864 176.000 -0.216 0.000 0.980 92 Q CA 1.477 57.153 55.803 -0.210 0.000 0.840 92 Q CB -0.674 27.919 28.738 -0.242 0.000 0.898 92 Q HN 0.191 nan 8.270 nan 0.000 0.424 93 V N 0.338 120.168 119.914 -0.140 0.000 2.469 93 V HA -0.231 3.889 4.120 -0.001 0.000 0.251 93 V C 1.966 178.021 176.094 -0.065 0.000 1.064 93 V CA 2.102 64.340 62.300 -0.103 0.000 1.066 93 V CB -0.799 30.984 31.823 -0.066 0.000 0.667 93 V HN 0.520 nan 8.190 nan 0.000 0.461 94 A N -0.980 121.808 122.820 -0.053 0.000 2.066 94 A HA 0.181 4.500 4.320 -0.001 0.000 0.218 94 A C 2.245 179.828 177.584 -0.002 0.000 1.157 94 A CA 1.701 53.726 52.037 -0.020 0.000 0.670 94 A CB -0.489 18.501 19.000 -0.016 0.000 0.804 94 A HN 0.728 nan 8.150 nan 0.000 0.453 95 A N -0.490 122.311 122.820 -0.032 0.000 1.859 95 A HA 0.504 4.824 4.320 -0.001 0.000 0.212 95 A C 0.571 178.269 177.584 0.190 0.000 1.238 95 A CA 1.212 53.273 52.037 0.040 0.000 0.613 95 A CB -0.155 18.833 19.000 -0.020 0.000 0.904 95 A HN 1.048 nan 8.150 nan 0.000 0.457 96 F N -4.180 115.753 119.950 -0.029 0.000 2.678 96 F HA 0.521 5.048 4.527 -0.001 0.000 0.308 96 F C 0.500 176.275 175.800 -0.043 0.000 1.118 96 F CA -0.229 57.750 58.000 -0.035 0.000 0.959 96 F CB 0.670 39.636 39.000 -0.057 0.000 1.305 96 F HN -0.025 nan 8.300 nan 0.000 0.443 97 T N -2.621 112.029 114.554 0.160 0.000 3.039 97 T HA 0.288 4.637 4.350 -0.001 0.000 0.250 97 T C -0.171 174.651 174.700 0.203 0.000 1.052 97 T CA 1.309 63.462 62.100 0.088 0.000 1.125 97 T CB -0.377 68.548 68.868 0.094 0.000 0.908 97 T HN 1.072 nan 8.240 nan 0.000 0.473 98 H N -0.268 118.913 119.070 0.185 0.000 3.153 98 H HA 0.419 4.974 4.556 -0.001 0.000 0.323 98 H C 0.214 175.632 175.328 0.150 0.000 1.096 98 H CA 0.137 56.289 56.048 0.173 0.000 1.385 98 H CB 1.278 31.154 29.762 0.189 0.000 2.027 98 H HN 0.022 nan 8.280 nan 0.000 0.499 99 T N 0.913 115.203 114.554 -0.441 0.000 2.958 99 T HA 0.142 4.491 4.350 -0.001 0.000 0.256 99 T C 0.450 174.879 174.700 -0.451 0.000 0.983 99 T CA 0.405 62.293 62.100 -0.352 0.000 0.924 99 T CB -0.527 68.223 68.868 -0.196 0.000 1.136 99 T HN 1.124 nan 8.240 nan 0.000 0.506 100 C N 1.588 120.466 119.300 -0.705 0.000 1.695 100 C HA -0.188 4.271 4.460 -0.001 0.000 0.241 100 C C 1.000 176.044 174.990 0.089 0.000 0.721 100 C CA -0.494 58.458 59.018 -0.110 0.000 3.186 100 C CB -2.677 25.081 27.740 0.028 0.000 1.807 100 C HN 0.684 nan 8.230 nan 0.000 0.272 101 F N 4.426 124.420 119.950 0.073 0.000 2.161 101 F HA -0.087 4.440 4.527 -0.001 0.000 0.300 101 F C 1.951 177.620 175.800 -0.219 0.000 1.089 101 F CA 2.514 60.409 58.000 -0.175 0.000 1.282 101 F CB -0.094 38.596 39.000 -0.517 0.000 1.010 101 F HN 0.724 nan 8.300 nan 0.000 0.485 102 M N -1.003 118.588 119.600 -0.014 0.000 2.557 102 M HA -0.101 4.378 4.480 -0.001 0.000 0.259 102 M C 1.582 177.805 176.300 -0.128 0.000 1.086 102 M CA 0.437 55.692 55.300 -0.075 0.000 1.096 102 M CB -0.117 32.505 32.600 0.036 0.000 1.424 102 M HN 0.062 nan 8.290 nan 0.000 0.488 103 V N -0.872 118.970 119.914 -0.121 0.000 2.398 103 V HA -0.002 4.118 4.120 -0.001 0.000 0.236 103 V C 1.055 177.043 176.094 -0.177 0.000 1.054 103 V CA 1.408 63.640 62.300 -0.113 0.000 1.060 103 V CB -0.083 31.702 31.823 -0.063 0.000 0.707 103 V HN 0.459 nan 8.190 nan 0.000 0.480 104 T N -0.369 114.068 114.554 -0.195 0.000 2.847 104 T HA 0.552 4.901 4.350 -0.001 0.000 0.291 104 T C -2.734 171.786 174.700 -0.300 0.000 0.998 104 T CA -1.780 60.180 62.100 -0.234 0.000 0.967 104 T CB 2.341 71.107 68.868 -0.170 0.000 0.954 104 T HN 0.144 nan 8.240 nan 0.000 0.441 105 P HA 0.491 nan 4.420 nan 0.000 0.302 105 P C -1.324 175.828 177.300 -0.247 0.000 1.307 105 P CA -0.501 62.050 63.100 -0.914 0.000 0.754 105 P CB 0.469 31.320 31.700 -1.414 0.000 1.298 106 Y N -5.254 115.074 120.300 0.047 0.000 2.624 106 Y HA 0.393 4.943 4.550 -0.001 0.000 0.334 106 Y C 1.244 177.332 175.900 0.313 0.000 1.155 106 Y CA -1.016 57.198 58.100 0.189 0.000 1.046 106 Y CB 0.289 38.944 38.460 0.324 0.000 1.316 106 Y HN 0.396 nan 8.280 nan 0.000 0.457 107 E N 1.289 121.714 120.200 0.375 0.000 2.150 107 E HA -0.039 4.310 4.350 -0.001 0.000 0.193 107 E C 1.938 178.713 176.600 0.291 0.000 0.985 107 E CA 1.510 58.069 56.400 0.265 0.000 0.814 107 E CB -0.350 29.470 29.700 0.199 0.000 0.752 107 E HN 1.051 nan 8.360 nan 0.000 0.466 108 G N 0.150 109.192 108.800 0.404 0.000 2.440 108 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.218 108 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.218 108 G C 1.328 176.390 174.900 0.269 0.000 1.154 108 G CA 0.990 46.284 45.100 0.323 0.000 0.767 108 G HN 0.371 nan 8.290 nan 0.000 0.552 109 Y N 1.220 121.596 120.300 0.127 0.000 2.145 109 Y HA -0.133 4.416 4.550 -0.001 0.000 0.286 109 Y C 2.909 178.710 175.900 -0.166 0.000 1.145 109 Y CA 1.517 59.521 58.100 -0.159 0.000 1.148 109 Y CB -0.419 37.644 38.460 -0.662 0.000 0.981 109 Y HN 0.046 nan 8.280 nan 0.000 0.507 110 V N 0.310 120.363 119.914 0.232 0.000 2.343 110 V HA -0.303 3.816 4.120 -0.001 0.000 0.247 110 V C 2.315 178.471 176.094 0.104 0.000 1.051 110 V CA 2.220 64.618 62.300 0.164 0.000 1.036 110 V CB -0.594 31.325 31.823 0.159 0.000 0.654 110 V HN 0.289 nan 8.190 nan 0.000 0.451 111 K N -0.296 120.179 120.400 0.126 0.000 2.057 111 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 111 K C 2.071 178.785 176.600 0.190 0.000 1.049 111 K CA 1.449 57.819 56.287 0.139 0.000 0.931 111 K CB -0.350 32.260 32.500 0.183 0.000 0.714 111 K HN 0.321 nan 8.250 nan 0.000 0.440 112 V N 1.091 121.077 119.914 0.119 0.000 2.343 112 V HA -0.272 3.848 4.120 -0.001 0.000 0.247 112 V C 2.276 178.395 176.094 0.041 0.000 1.051 112 V CA 2.036 64.379 62.300 0.072 0.000 1.036 112 V CB -0.646 31.136 31.823 -0.068 0.000 0.654 112 V HN 0.386 nan 8.190 nan 0.000 0.451 113 A N -0.236 122.565 122.820 -0.031 0.000 1.877 113 A HA -0.261 4.058 4.320 -0.001 0.000 0.216 113 A C 2.159 179.749 177.584 0.009 0.000 1.186 113 A CA 1.958 53.975 52.037 -0.032 0.000 0.620 113 A CB -0.541 18.443 19.000 -0.026 0.000 0.822 113 A HN 0.612 nan 8.150 nan 0.000 0.443 114 E N -1.136 119.067 120.200 0.005 0.000 2.118 114 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 114 E C 1.987 178.549 176.600 -0.063 0.000 0.992 114 E CA 1.292 57.661 56.400 -0.051 0.000 0.804 114 E CB -0.248 29.389 29.700 -0.106 0.000 0.741 114 E HN 0.703 nan 8.360 nan 0.000 0.458 115 H N 0.051 119.136 119.070 0.024 0.000 2.372 115 H HA 0.008 4.564 4.556 -0.001 0.000 0.301 115 H C 2.332 177.696 175.328 0.061 0.000 1.065 115 H CA 0.832 56.907 56.048 0.045 0.000 1.364 115 H CB 0.003 29.802 29.762 0.061 0.000 1.406 115 H HN 0.145 nan 8.280 nan 0.000 0.521 116 L N 0.813 122.150 121.223 0.189 0.000 2.042 116 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 116 L C 2.244 179.131 176.870 0.028 0.000 1.076 116 L CA 0.947 55.860 54.840 0.121 0.000 0.749 116 L CB -0.276 41.835 42.059 0.086 0.000 0.893 116 L HN 0.226 nan 8.230 nan 0.000 0.432 117 N N -0.107 118.595 118.700 0.004 0.000 2.069 117 N HA -0.234 4.506 4.740 -0.001 0.000 0.191 117 N C 1.858 177.338 175.510 -0.049 0.000 1.031 117 N CA 1.291 54.318 53.050 -0.038 0.000 0.852 117 N CB -0.394 38.071 38.487 -0.037 0.000 1.018 117 N HN 0.303 nan 8.380 nan 0.000 0.423 118 R N 0.654 121.142 120.500 -0.020 0.000 2.092 118 R HA 0.047 4.387 4.340 -0.001 0.000 0.231 118 R C 1.884 178.190 176.300 0.010 0.000 1.119 118 R CA 0.863 56.952 56.100 -0.018 0.000 0.970 118 R CB -0.109 30.182 30.300 -0.014 0.000 0.864 118 R HN 0.192 nan 8.270 nan 0.000 0.440 119 L N 0.625 121.887 121.223 0.065 0.000 2.416 119 L HA 0.066 4.405 4.340 -0.001 0.000 0.216 119 L C 0.874 177.833 176.870 0.148 0.000 1.098 119 L CA 0.296 55.208 54.840 0.119 0.000 0.840 119 L CB 0.032 42.202 42.059 0.185 0.000 0.981 119 L HN 0.271 nan 8.230 nan 0.000 0.462 120 T N -1.812 112.743 114.554 0.001 0.000 2.802 120 T HA 0.204 4.553 4.350 -0.001 0.000 0.305 120 T C -2.343 172.285 174.700 -0.120 0.000 1.053 120 T CA -1.425 60.543 62.100 -0.220 0.000 1.058 120 T CB 0.144 68.789 68.868 -0.371 0.000 0.988 120 T HN -0.171 nan 8.240 nan 0.000 0.539 121 P HA 0.435 nan 4.420 nan 0.000 0.268 121 P C 0.608 177.859 177.300 -0.083 0.000 1.208 121 P CA 0.958 64.028 63.100 -0.049 0.000 0.777 121 P CB -0.096 31.594 31.700 -0.017 0.000 0.875 122 G N 1.851 110.615 108.800 -0.061 0.000 2.690 122 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.686 122 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.686 122 G C -0.146 174.594 174.900 -0.266 0.000 1.277 122 G CA -0.523 44.521 45.100 -0.094 0.000 0.799 122 G HN 0.450 nan 8.290 nan 0.000 0.613 123 D N 0.069 120.367 120.400 -0.171 0.000 2.360 123 D HA 0.038 4.678 4.640 -0.001 0.000 0.210 123 D C 1.424 177.627 176.300 -0.161 0.000 1.047 123 D CA 0.732 54.647 54.000 -0.142 0.000 0.854 123 D CB -0.017 40.764 40.800 -0.031 0.000 0.936 123 D HN 0.729 nan 8.370 nan 0.000 0.514 124 H N 0.471 119.531 119.070 -0.016 0.000 2.639 124 H HA 0.272 4.827 4.556 -0.001 0.000 0.373 124 H C 0.175 175.490 175.328 -0.022 0.000 1.372 124 H CA 0.096 56.133 56.048 -0.018 0.000 1.448 124 H CB 0.689 30.438 29.762 -0.022 0.000 1.544 124 H HN -0.138 nan 8.280 nan 0.000 0.615 125 E N 0.774 121.048 120.200 0.123 0.000 2.360 125 E HA 0.156 4.506 4.350 -0.001 0.000 0.269 125 E C -0.392 176.270 176.600 0.102 0.000 1.022 125 E CA -0.022 56.413 56.400 0.057 0.000 0.887 125 E CB 0.956 30.684 29.700 0.047 0.000 0.990 125 E HN 0.434 nan 8.360 nan 0.000 0.426 126 K N 2.280 122.697 120.400 0.028 0.000 2.444 126 K HA 0.538 4.858 4.320 -0.001 0.000 0.252 126 K C -0.448 176.158 176.600 0.009 0.000 0.993 126 K CA -0.999 55.306 56.287 0.031 0.000 0.847 126 K CB 1.778 34.267 32.500 -0.017 0.000 1.340 126 K HN 0.193 nan 8.250 nan 0.000 0.446 127 R N 0.229 120.734 120.500 0.008 0.000 2.867 127 R HA 0.581 4.921 4.340 -0.001 0.000 0.268 127 R C -0.899 175.402 176.300 0.001 0.000 1.014 127 R CA -0.796 55.309 56.100 0.008 0.000 0.946 127 R CB 2.248 32.559 30.300 0.017 0.000 1.208 127 R HN 0.652 nan 8.270 nan 0.000 0.477 128 T N 0.193 114.747 114.554 -0.000 0.000 2.909 128 T HA 0.743 5.093 4.350 -0.001 0.000 0.299 128 T C -1.251 173.432 174.700 -0.028 0.000 1.073 128 T CA -0.581 61.507 62.100 -0.021 0.000 0.999 128 T CB 2.205 71.045 68.868 -0.048 0.000 1.098 128 T HN 0.659 nan 8.240 nan 0.000 0.477 129 A N 2.534 125.317 122.820 -0.061 0.000 2.435 129 A HA 0.907 5.226 4.320 -0.001 0.000 0.304 129 A C -1.444 175.832 177.584 -0.513 0.000 1.064 129 A CA -0.683 51.243 52.037 -0.185 0.000 0.727 129 A CB 1.086 20.052 19.000 -0.057 0.000 1.284 129 A HN 0.755 nan 8.150 nan 0.000 0.415 130 L N 1.395 122.121 121.223 -0.829 0.000 2.346 130 L HA 0.751 5.090 4.340 -0.001 0.000 0.274 130 L C -0.988 175.214 176.870 -1.114 0.000 1.007 130 L CA -0.321 54.008 54.840 -0.853 0.000 0.818 130 L CB 1.576 43.066 42.059 -0.948 0.000 1.284 130 L HN 0.798 nan 8.230 nan 0.000 0.424 131 F N -0.269 119.678 119.950 -0.005 0.000 2.953 131 F HA 0.480 5.006 4.527 -0.001 0.000 0.360 131 F C 1.033 176.864 175.800 0.051 0.000 1.249 131 F CA -0.837 57.197 58.000 0.056 0.000 1.063 131 F CB 0.548 39.580 39.000 0.053 0.000 1.500 131 F HN 0.299 nan 8.300 nan 0.000 0.517 132 N N -0.472 118.402 118.700 0.290 0.000 2.591 132 N HA 0.062 4.802 4.740 -0.001 0.000 0.200 132 N C 0.018 175.601 175.510 0.121 0.000 1.040 132 N CA 0.762 53.913 53.050 0.168 0.000 0.911 132 N CB 0.208 38.799 38.487 0.174 0.000 1.259 132 N HN 0.479 nan 8.380 nan 0.000 0.438 133 S N -0.893 114.882 115.700 0.126 0.000 2.648 133 S HA 0.600 5.069 4.470 -0.001 0.000 0.305 133 S C 1.221 175.869 174.600 0.079 0.000 1.094 133 S CA -0.385 57.865 58.200 0.083 0.000 0.983 133 S CB 1.936 65.175 63.200 0.065 0.000 1.101 133 S HN 0.175 nan 8.310 nan 0.000 0.514 134 G N 1.054 109.894 108.800 0.068 0.000 2.476 134 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.218 134 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.218 134 G C 1.551 176.465 174.900 0.024 0.000 1.164 134 G CA 1.029 46.166 45.100 0.062 0.000 0.768 134 G HN 1.209 nan 8.290 nan 0.000 0.560 135 A N 0.828 123.652 122.820 0.006 0.000 1.892 135 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 135 A C 2.181 179.726 177.584 -0.065 0.000 1.188 135 A CA 2.124 54.140 52.037 -0.035 0.000 0.631 135 A CB -0.519 18.461 19.000 -0.033 0.000 0.822 135 A HN 0.497 nan 8.150 nan 0.000 0.447 136 E N -0.454 119.713 120.200 -0.054 0.000 2.038 136 E HA -0.153 4.196 4.350 -0.001 0.000 0.195 136 E C 2.403 178.827 176.600 -0.294 0.000 1.000 136 E CA 1.037 57.350 56.400 -0.144 0.000 0.803 136 E CB -0.340 29.329 29.700 -0.052 0.000 0.750 136 E HN 0.625 nan 8.360 nan 0.000 0.448 137 A N 1.033 123.774 122.820 -0.132 0.000 1.883 137 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 137 A C 2.544 180.050 177.584 -0.131 0.000 1.186 137 A CA 1.470 53.451 52.037 -0.094 0.000 0.624 137 A CB -0.809 18.265 19.000 0.124 0.000 0.822 137 A HN 0.124 nan 8.150 nan 0.000 0.444 138 V N 0.374 120.232 119.914 -0.092 0.000 2.295 138 V HA -0.272 3.847 4.120 -0.001 0.000 0.246 138 V C 2.455 178.464 176.094 -0.140 0.000 1.049 138 V CA 2.153 64.388 62.300 -0.109 0.000 1.024 138 V CB -0.905 30.857 31.823 -0.101 0.000 0.648 138 V HN 0.576 nan 8.190 nan 0.000 0.447 139 E N 0.303 120.413 120.200 -0.150 0.000 2.136 139 E HA -0.284 4.066 4.350 -0.001 0.000 0.202 139 E C 2.051 178.548 176.600 -0.172 0.000 1.019 139 E CA 1.658 57.968 56.400 -0.150 0.000 0.819 139 E CB -0.387 29.219 29.700 -0.158 0.000 0.739 139 E HN 0.633 nan 8.360 nan 0.000 0.458 140 N N 0.023 118.561 118.700 -0.271 0.000 2.300 140 N HA -0.042 4.697 4.740 -0.001 0.000 0.179 140 N C 1.813 177.266 175.510 -0.094 0.000 1.016 140 N CA 0.854 53.747 53.050 -0.262 0.000 0.876 140 N CB 0.002 38.113 38.487 -0.626 0.000 0.979 140 N HN 0.089 nan 8.380 nan 0.000 0.432 141 A N 0.932 123.702 122.820 -0.083 0.000 1.940 141 A HA -0.088 4.232 4.320 -0.001 0.000 0.219 141 A C 2.475 180.038 177.584 -0.034 0.000 1.176 141 A CA 1.202 53.213 52.037 -0.043 0.000 0.631 141 A CB -0.674 18.288 19.000 -0.062 0.000 0.814 141 A HN 0.091 nan 8.150 nan 0.000 0.446 142 V N -0.062 119.821 119.914 -0.052 0.000 2.358 142 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 142 V C 2.430 178.522 176.094 -0.004 0.000 1.047 142 V CA 2.312 64.596 62.300 -0.027 0.000 1.035 142 V CB -0.650 31.147 31.823 -0.042 0.000 0.658 142 V HN 0.552 nan 8.190 nan 0.000 0.452 143 K N -0.095 120.294 120.400 -0.018 0.000 2.063 143 K HA -0.134 4.185 4.320 -0.001 0.000 0.208 143 K C 2.022 178.643 176.600 0.034 0.000 1.048 143 K CA 1.690 57.980 56.287 0.005 0.000 0.928 143 K CB -0.322 32.174 32.500 -0.008 0.000 0.713 143 K HN 0.378 nan 8.250 nan 0.000 0.442 144 I N 0.815 121.406 120.570 0.036 0.000 2.252 144 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 144 I C 2.479 178.646 176.117 0.083 0.000 1.102 144 I CA 1.092 62.428 61.300 0.061 0.000 1.385 144 I CB -0.319 37.711 38.000 0.050 0.000 1.064 144 I HN 0.163 nan 8.210 nan 0.000 0.414 145 A N 0.730 123.590 122.820 0.066 0.000 1.902 145 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 145 A C 2.390 180.049 177.584 0.125 0.000 1.181 145 A CA 1.421 53.519 52.037 0.101 0.000 0.623 145 A CB -0.534 18.511 19.000 0.075 0.000 0.818 145 A HN 0.297 nan 8.150 nan 0.000 0.443 146 R N -0.613 119.938 120.500 0.084 0.000 2.081 146 R HA -0.074 4.266 4.340 -0.001 0.000 0.235 146 R C 2.472 178.814 176.300 0.069 0.000 1.131 146 R CA 1.229 57.371 56.100 0.069 0.000 0.960 146 R CB -0.415 29.914 30.300 0.048 0.000 0.856 146 R HN 0.517 nan 8.270 nan 0.000 0.436 147 A N 0.159 123.027 122.820 0.081 0.000 1.898 147 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 147 A C 1.970 179.611 177.584 0.094 0.000 1.181 147 A CA 1.043 53.125 52.037 0.075 0.000 0.620 147 A CB -0.633 18.414 19.000 0.079 0.000 0.819 147 A HN 0.465 nan 8.150 nan 0.000 0.442 148 Y N 1.530 121.840 120.300 0.017 0.000 2.133 148 Y HA -0.199 4.350 4.550 -0.001 0.000 0.287 148 Y C 2.847 178.753 175.900 0.009 0.000 1.134 148 Y CA 2.597 60.705 58.100 0.013 0.000 1.133 148 Y CB -0.403 38.065 38.460 0.013 0.000 0.987 148 Y HN 0.406 nan 8.280 nan 0.000 0.502 149 T N -2.062 112.512 114.554 0.034 0.000 3.023 149 T HA -0.020 4.329 4.350 -0.001 0.000 0.266 149 T C 1.006 175.655 174.700 -0.086 0.000 1.093 149 T CA 0.749 62.808 62.100 -0.069 0.000 1.129 149 T CB -0.382 68.530 68.868 0.074 0.000 0.899 149 T HN 0.503 nan 8.240 nan 0.000 0.491 150 R N 0.675 121.150 120.500 -0.042 0.000 3.758 150 R HA -0.156 4.184 4.340 -0.001 0.000 0.299 150 R C -0.246 176.051 176.300 -0.006 0.000 1.182 150 R CA 0.603 56.688 56.100 -0.026 0.000 0.809 150 R CB -1.955 28.314 30.300 -0.051 0.000 1.249 150 R HN 0.549 nan 8.270 nan 0.000 0.497 151 R N 0.134 120.643 120.500 0.016 0.000 2.758 151 R HA 0.271 4.611 4.340 -0.001 0.000 0.265 151 R C 0.945 177.274 176.300 0.047 0.000 1.016 151 R CA -0.657 55.461 56.100 0.030 0.000 1.040 151 R CB 0.648 30.972 30.300 0.040 0.000 1.152 151 R HN 0.150 nan 8.270 nan 0.000 0.503 152 Q N 0.086 119.920 119.800 0.056 0.000 2.390 152 Q HA 0.231 4.571 4.340 -0.001 0.000 0.216 152 Q C 0.102 176.160 176.000 0.098 0.000 0.916 152 Q CA 0.156 56.001 55.803 0.070 0.000 0.911 152 Q CB 0.588 29.369 28.738 0.073 0.000 1.035 152 Q HN 0.591 nan 8.270 nan 0.000 0.541 153 A N 1.236 124.127 122.820 0.118 0.000 2.388 153 A HA 0.452 4.771 4.320 -0.001 0.000 0.257 153 A C -0.392 177.280 177.584 0.148 0.000 1.095 153 A CA -0.238 51.907 52.037 0.181 0.000 0.791 153 A CB 0.666 19.755 19.000 0.150 0.000 1.029 153 A HN 0.069 nan 8.150 nan 0.000 0.489 154 V N 3.224 123.235 119.914 0.163 0.000 2.444 154 V HA 0.336 4.455 4.120 -0.001 0.000 0.294 154 V C -0.318 175.841 176.094 0.108 0.000 1.022 154 V CA -0.532 61.831 62.300 0.105 0.000 0.850 154 V CB 1.586 33.439 31.823 0.050 0.000 0.992 154 V HN 0.638 nan 8.190 nan 0.000 0.426 155 V N 6.331 126.286 119.914 0.069 0.000 2.383 155 V HA 0.570 4.689 4.120 -0.001 0.000 0.275 155 V C 0.157 176.222 176.094 -0.048 0.000 1.036 155 V CA -0.211 62.072 62.300 -0.028 0.000 0.889 155 V CB 1.588 33.339 31.823 -0.120 0.000 0.985 155 V HN 0.764 nan 8.190 nan 0.000 0.459 156 V N 2.460 122.303 119.914 -0.119 0.000 3.181 156 V HA 0.772 4.891 4.120 -0.001 0.000 0.314 156 V C -0.917 175.027 176.094 -0.250 0.000 1.173 156 V CA -0.942 61.375 62.300 0.028 0.000 1.052 156 V CB 2.176 34.077 31.823 0.130 0.000 1.123 156 V HN 0.498 nan 8.190 nan 0.000 0.454 157 F N -1.023 119.016 119.950 0.149 0.000 2.598 157 F HA 0.587 5.113 4.527 -0.001 0.000 0.327 157 F C 0.148 175.946 175.800 -0.004 0.000 1.057 157 F CA -0.752 57.318 58.000 0.116 0.000 0.957 157 F CB 1.257 40.401 39.000 0.239 0.000 1.278 157 F HN 0.498 nan 8.300 nan 0.000 0.484 158 D N 1.116 121.583 120.400 0.110 0.000 2.478 158 D HA 0.041 4.680 4.640 -0.001 0.000 0.234 158 D C 0.510 176.675 176.300 -0.225 0.000 1.154 158 D CA 1.220 55.144 54.000 -0.127 0.000 0.874 158 D CB 0.006 40.722 40.800 -0.141 0.000 1.198 158 D HN 0.580 nan 8.370 nan 0.000 0.455 159 H N -2.148 116.846 119.070 -0.128 0.000 3.395 159 H HA -0.192 4.363 4.556 -0.001 0.000 0.222 159 H C 0.177 175.350 175.328 -0.259 0.000 1.099 159 H CA 0.934 56.840 56.048 -0.237 0.000 1.182 159 H CB -1.786 27.769 29.762 -0.346 0.000 1.188 159 H HN 0.446 nan 8.280 nan 0.000 0.317 160 A N 0.318 123.086 122.820 -0.086 0.000 2.371 160 A HA 0.501 4.821 4.320 -0.001 0.000 0.257 160 A C -0.404 177.127 177.584 -0.089 0.000 1.089 160 A CA -0.121 51.896 52.037 -0.034 0.000 0.794 160 A CB 0.672 19.716 19.000 0.072 0.000 1.029 160 A HN 0.337 nan 8.150 nan 0.000 0.488 161 Y N 1.023 121.083 120.300 -0.400 0.000 2.396 161 Y HA 0.501 5.051 4.550 -0.001 0.000 0.332 161 Y C 0.045 175.576 175.900 -0.614 0.000 1.034 161 Y CA -0.572 57.274 58.100 -0.424 0.000 1.057 161 Y CB 1.491 39.746 38.460 -0.340 0.000 1.220 161 Y HN 0.791 nan 8.280 nan 0.000 0.440 162 H N 3.423 122.084 119.070 -0.682 0.000 3.360 162 H HA 0.500 5.056 4.556 -0.001 0.000 0.262 162 H C 0.650 175.649 175.328 -0.549 0.000 1.149 162 H CA 0.504 56.284 56.048 -0.446 0.000 1.181 162 H CB 1.409 31.034 29.762 -0.228 0.000 1.564 162 H HN 0.881 nan 8.280 nan 0.000 0.565 163 G N 0.676 108.926 108.800 -0.917 0.000 2.346 163 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.294 163 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.294 163 G C -0.267 174.456 174.900 -0.295 0.000 1.294 163 G CA -0.804 44.005 45.100 -0.485 0.000 0.962 163 G HN 0.045 nan 8.290 nan 0.000 0.508 164 R N -0.073 120.379 120.500 -0.081 0.000 2.437 164 R HA 0.222 4.561 4.340 -0.001 0.000 0.257 164 R C 1.359 177.651 176.300 -0.013 0.000 0.927 164 R CA 0.793 56.894 56.100 0.002 0.000 1.078 164 R CB 0.204 30.533 30.300 0.048 0.000 1.161 164 R HN 0.894 nan 8.270 nan 0.000 0.529 165 T N -1.723 112.819 114.554 -0.021 0.000 2.816 165 T HA 0.095 4.445 4.350 -0.001 0.000 0.282 165 T C 1.302 176.029 174.700 0.044 0.000 0.993 165 T CA -0.567 61.532 62.100 -0.003 0.000 0.994 165 T CB 1.551 70.410 68.868 -0.015 0.000 1.025 165 T HN -0.062 nan 8.240 nan 0.000 0.529 166 N N -0.180 118.565 118.700 0.075 0.000 2.069 166 N HA -0.137 4.602 4.740 -0.001 0.000 0.191 166 N C 1.764 177.382 175.510 0.179 0.000 1.031 166 N CA 1.519 54.679 53.050 0.183 0.000 0.852 166 N CB -0.505 38.057 38.487 0.126 0.000 1.018 166 N HN 0.604 nan 8.380 nan 0.000 0.423 167 L N 1.326 122.594 121.223 0.075 0.000 2.056 167 L HA -0.090 4.249 4.340 -0.001 0.000 0.207 167 L C 2.517 179.378 176.870 -0.014 0.000 1.078 167 L CA 2.324 57.184 54.840 0.033 0.000 0.749 167 L CB -1.315 40.743 42.059 -0.002 0.000 0.901 167 L HN 0.373 nan 8.230 nan 0.000 0.433 168 T N -3.826 110.707 114.554 -0.035 0.000 2.904 168 T HA -0.156 4.194 4.350 -0.001 0.000 0.267 168 T C 1.916 176.546 174.700 -0.117 0.000 1.059 168 T CA 1.323 63.378 62.100 -0.075 0.000 1.137 168 T CB -0.469 68.340 68.868 -0.098 0.000 0.879 168 T HN 0.325 nan 8.240 nan 0.000 0.467 169 M N 1.437 120.987 119.600 -0.083 0.000 2.080 169 M HA -0.035 4.444 4.480 -0.001 0.000 0.260 169 M C 2.984 179.085 176.300 -0.333 0.000 1.068 169 M CA 1.964 57.175 55.300 -0.149 0.000 1.109 169 M CB -0.673 31.926 32.600 -0.002 0.000 1.342 169 M HN 0.484 nan 8.290 nan 0.000 0.405 170 A N 0.206 122.860 122.820 -0.277 0.000 1.948 170 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 170 A C 2.029 179.513 177.584 -0.166 0.000 1.177 170 A CA 1.930 53.804 52.037 -0.272 0.000 0.636 170 A CB -0.672 18.289 19.000 -0.065 0.000 0.815 170 A HN 0.548 nan 8.150 nan 0.000 0.449 171 M N -0.644 118.905 119.600 -0.085 0.000 2.506 171 M HA 0.009 4.488 4.480 -0.001 0.000 0.260 171 M C 0.157 176.496 176.300 0.065 0.000 1.104 171 M CA 0.394 55.705 55.300 0.018 0.000 1.112 171 M CB -0.220 32.406 32.600 0.043 0.000 1.401 171 M HN 0.138 nan 8.290 nan 0.000 0.473 172 T N 0.842 115.356 114.554 -0.066 0.000 2.884 172 T HA 0.312 4.662 4.350 -0.001 0.000 0.298 172 T C 1.127 175.789 174.700 -0.064 0.000 0.998 172 T CA -0.114 61.921 62.100 -0.109 0.000 1.124 172 T CB 1.698 70.447 68.868 -0.198 0.000 0.931 172 T HN 0.289 nan 8.240 nan 0.000 0.531 173 A N 3.769 126.569 122.820 -0.032 0.000 1.854 173 A HA 0.065 4.385 4.320 -0.001 0.000 0.214 173 A C 1.251 178.833 177.584 -0.003 0.000 1.192 173 A CA 0.918 52.930 52.037 -0.041 0.000 0.611 173 A CB -0.141 18.809 19.000 -0.084 0.000 0.832 173 A HN 0.677 nan 8.150 nan 0.000 0.442 174 K N 0.512 120.963 120.400 0.086 0.000 2.312 174 K HA 0.087 4.406 4.320 -0.001 0.000 0.287 174 K C 0.560 177.268 176.600 0.181 0.000 1.062 174 K CA 0.182 56.548 56.287 0.132 0.000 0.934 174 K CB 0.500 33.127 32.500 0.211 0.000 1.027 174 K HN 0.359 nan 8.250 nan 0.000 0.478 175 N N 2.855 121.600 118.700 0.075 0.000 2.188 175 N HA -0.176 4.564 4.740 -0.001 0.000 0.184 175 N C -0.242 175.301 175.510 0.054 0.000 1.018 175 N CA 1.215 54.311 53.050 0.077 0.000 0.858 175 N CB 0.273 38.794 38.487 0.056 0.000 0.989 175 N HN 0.453 nan 8.380 nan 0.000 0.426 176 Q N -0.156 119.618 119.800 -0.044 0.000 2.347 176 Q HA 0.367 4.707 4.340 -0.001 0.000 0.262 176 Q C -2.234 173.567 176.000 -0.331 0.000 0.980 176 Q CA -2.128 53.582 55.803 -0.154 0.000 0.867 176 Q CB 1.909 30.547 28.738 -0.168 0.000 1.242 176 Q HN 0.200 nan 8.270 nan 0.000 0.453 177 P HA 0.063 nan 4.420 nan 0.000 0.266 177 P C -0.169 177.118 177.300 -0.022 0.000 1.381 177 P CA 0.214 63.189 63.100 -0.207 0.000 0.940 177 P CB 0.220 31.815 31.700 -0.174 0.000 1.435 178 Y N 1.222 121.643 120.300 0.202 0.000 2.242 178 Y HA -0.067 4.482 4.550 -0.001 0.000 0.291 178 Y C 2.367 178.510 175.900 0.405 0.000 1.137 178 Y CA 1.109 59.383 58.100 0.290 0.000 1.181 178 Y CB -0.317 38.297 38.460 0.257 0.000 0.989 178 Y HN -0.044 nan 8.280 nan 0.000 0.527 179 K N -1.876 118.774 120.400 0.416 0.000 2.387 179 K HA 0.015 4.334 4.320 -0.001 0.000 0.197 179 K C 0.340 177.100 176.600 0.265 0.000 1.127 179 K CA -0.134 56.403 56.287 0.416 0.000 0.950 179 K CB 0.097 32.661 32.500 0.107 0.000 1.017 179 K HN 0.131 nan 8.250 nan 0.000 0.519 180 H N 0.860 119.886 119.070 -0.074 0.000 3.216 180 H HA -0.095 4.461 4.556 -0.001 0.000 0.283 180 H C 0.796 175.769 175.328 -0.592 0.000 0.921 180 H CA 1.818 57.731 56.048 -0.224 0.000 1.419 180 H CB 0.191 29.840 29.762 -0.188 0.000 1.460 180 H HN 0.631 nan 8.280 nan 0.000 0.553 181 G N 4.692 113.070 108.800 -0.703 0.000 2.176 181 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.253 181 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.253 181 G C 0.310 175.016 174.900 -0.325 0.000 0.979 181 G CA 0.327 45.059 45.100 -0.613 0.000 0.641 181 G HN 0.573 nan 8.290 nan 0.000 0.530 182 F N 1.598 121.544 119.950 -0.006 0.000 2.678 182 F HA 0.477 5.003 4.527 -0.001 0.000 0.305 182 F C 1.901 177.481 175.800 -0.367 0.000 1.090 182 F CA -0.536 57.442 58.000 -0.036 0.000 1.272 182 F CB -0.078 39.024 39.000 0.171 0.000 1.060 182 F HN 0.329 nan 8.300 nan 0.000 0.576 183 G N 0.865 109.338 108.800 -0.544 0.000 2.543 183 G HA2 0.456 4.415 3.960 -0.001 0.000 0.290 183 G HA3 0.456 4.415 3.960 -0.001 0.000 0.290 183 G C -2.031 172.556 174.900 -0.522 0.000 1.310 183 G CA -0.846 43.517 45.100 -1.227 0.000 1.025 183 G HN -0.081 nan 8.290 nan 0.000 0.502 184 P HA 0.421 nan 4.420 nan 0.000 0.274 184 P C -1.320 175.647 177.300 -0.555 0.000 1.246 184 P CA -0.252 62.568 63.100 -0.466 0.000 0.795 184 P CB 0.823 32.414 31.700 -0.181 0.000 1.006 185 F N -0.584 119.369 119.950 0.005 0.000 2.507 185 F HA 0.507 5.033 4.527 -0.001 0.000 0.327 185 F C 0.865 176.655 175.800 -0.018 0.000 1.068 185 F CA -1.045 56.956 58.000 0.002 0.000 0.965 185 F CB 0.860 39.863 39.000 0.005 0.000 1.192 185 F HN 0.316 nan 8.300 nan 0.000 0.476 186 A N 2.787 125.716 122.820 0.183 0.000 2.567 186 A HA 0.225 4.544 4.320 -0.001 0.000 0.240 186 A C 0.253 177.868 177.584 0.052 0.000 1.053 186 A CA -0.244 51.843 52.037 0.084 0.000 0.755 186 A CB -0.607 18.433 19.000 0.066 0.000 0.978 186 A HN 0.787 nan 8.150 nan 0.000 0.507 187 N N 1.009 119.715 118.700 0.011 0.000 2.643 187 N HA 0.295 5.035 4.740 -0.001 0.000 0.305 187 N C -0.282 175.190 175.510 -0.063 0.000 1.283 187 N CA -0.378 52.647 53.050 -0.042 0.000 0.946 187 N CB 0.053 38.520 38.487 -0.032 0.000 1.149 187 N HN 0.521 nan 8.380 nan 0.000 0.600 188 E N -1.840 118.284 120.200 -0.127 0.000 2.440 188 E HA -0.110 4.240 4.350 -0.001 0.000 0.246 188 E C -1.044 175.498 176.600 -0.096 0.000 1.165 188 E CA 0.370 56.738 56.400 -0.053 0.000 0.726 188 E CB -2.104 27.673 29.700 0.127 0.000 1.271 188 E HN 0.442 nan 8.360 nan 0.000 0.397 189 V N 0.881 120.601 119.914 -0.323 0.000 2.417 189 V HA 0.508 4.628 4.120 -0.001 0.000 0.291 189 V C -0.178 175.665 176.094 -0.418 0.000 1.024 189 V CA -0.541 61.636 62.300 -0.205 0.000 0.861 189 V CB 1.084 32.834 31.823 -0.122 0.000 0.985 189 V HN 0.133 nan 8.190 nan 0.000 0.436 190 Y N 3.305 123.572 120.300 -0.055 0.000 2.442 190 Y HA 0.669 5.218 4.550 -0.001 0.000 0.344 190 Y C 0.105 175.923 175.900 -0.136 0.000 0.976 190 Y CA -0.697 57.354 58.100 -0.081 0.000 1.040 190 Y CB 2.075 40.487 38.460 -0.080 0.000 1.228 190 Y HN 0.500 nan 8.280 nan 0.000 0.451 191 R N 2.427 122.924 120.500 -0.005 0.000 2.637 191 R HA 0.864 5.203 4.340 -0.001 0.000 0.291 191 R C -1.489 174.723 176.300 -0.147 0.000 0.963 191 R CA -0.835 55.200 56.100 -0.109 0.000 0.901 191 R CB 1.577 31.831 30.300 -0.076 0.000 1.160 191 R HN 0.615 nan 8.270 nan 0.000 0.457 192 V N 0.587 120.341 119.914 -0.267 0.000 3.130 192 V HA 0.707 4.826 4.120 -0.001 0.000 0.310 192 V C -2.772 173.288 176.094 -0.057 0.000 1.158 192 V CA -2.793 59.381 62.300 -0.211 0.000 1.029 192 V CB 1.847 33.477 31.823 -0.321 0.000 1.057 192 V HN 0.680 nan 8.190 nan 0.000 0.436 193 P HA 0.323 nan 4.420 nan 0.000 0.272 193 P C -0.198 177.365 177.300 0.438 0.000 1.223 193 P CA 0.368 63.592 63.100 0.207 0.000 0.784 193 P CB 0.703 32.521 31.700 0.198 0.000 0.923 194 T N -0.039 114.749 114.554 0.390 0.000 2.898 194 T HA 0.431 4.781 4.350 -0.001 0.000 0.283 194 T C -0.353 174.258 174.700 -0.148 0.000 1.059 194 T CA -0.529 61.727 62.100 0.260 0.000 0.958 194 T CB 0.286 69.321 68.868 0.278 0.000 1.594 194 T HN 0.263 nan 8.240 nan 0.000 0.598 195 S N 0.897 116.240 115.700 -0.595 0.000 2.474 195 S HA 0.532 5.001 4.470 -0.001 0.000 0.321 195 S C -1.783 172.781 174.600 -0.059 0.000 1.080 195 S CA -0.566 57.369 58.200 -0.441 0.000 1.106 195 S CB 0.313 63.021 63.200 -0.820 0.000 0.984 195 S HN 0.586 nan 8.310 nan 0.000 0.464 196 Y N 7.416 127.674 120.300 -0.070 0.000 2.563 196 Y HA 0.432 4.981 4.550 -0.001 0.000 0.351 196 Y C -2.708 173.212 175.900 0.033 0.000 1.087 196 Y CA -2.467 55.629 58.100 -0.006 0.000 1.272 196 Y CB 1.164 39.619 38.460 -0.009 0.000 1.095 196 Y HN 0.435 nan 8.280 nan 0.000 0.620 197 P HA -0.211 nan 4.420 nan 0.000 0.216 197 P C 1.719 179.111 177.300 0.153 0.000 1.150 197 P CA 1.408 64.602 63.100 0.157 0.000 0.843 197 P CB -0.012 31.778 31.700 0.150 0.000 0.787 198 F N 0.307 120.304 119.950 0.079 0.000 2.202 198 F HA -0.132 4.395 4.527 -0.001 0.000 0.301 198 F C 1.947 177.627 175.800 -0.199 0.000 1.082 198 F CA 1.540 59.532 58.000 -0.014 0.000 1.313 198 F CB -0.188 38.871 39.000 0.099 0.000 1.024 198 F HN -0.208 nan 8.300 nan 0.000 0.495 199 R N -0.679 119.505 120.500 -0.527 0.000 2.279 199 R HA 0.051 4.391 4.340 -0.001 0.000 0.195 199 R C 1.073 177.167 176.300 -0.345 0.000 0.905 199 R CA 0.871 56.589 56.100 -0.635 0.000 1.044 199 R CB 0.037 29.795 30.300 -0.904 0.000 1.056 199 R HN 0.358 nan 8.270 nan 0.000 0.535 200 D N -1.459 118.822 120.400 -0.198 0.000 2.398 200 D HA 0.093 4.732 4.640 -0.001 0.000 0.210 200 D C 1.102 177.367 176.300 -0.059 0.000 1.094 200 D CA 0.607 54.555 54.000 -0.088 0.000 0.839 200 D CB 0.520 41.316 40.800 -0.007 0.000 0.963 200 D HN 0.119 nan 8.370 nan 0.000 0.506 201 G N 0.284 109.045 108.800 -0.065 0.000 2.168 201 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.263 201 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.263 201 G C 0.042 174.943 174.900 0.002 0.000 0.977 201 G CA 0.479 45.557 45.100 -0.037 0.000 0.659 201 G HN 0.557 nan 8.290 nan 0.000 0.533 202 E N 0.829 121.041 120.200 0.020 0.000 2.149 202 E HA 0.569 4.918 4.350 -0.001 0.000 0.255 202 E C 1.303 177.935 176.600 0.053 0.000 0.888 202 E CA 0.155 56.578 56.400 0.037 0.000 0.742 202 E CB 0.486 30.213 29.700 0.045 0.000 1.164 202 E HN 0.320 nan 8.360 nan 0.000 0.422 203 T N 0.407 114.993 114.554 0.053 0.000 3.148 203 T HA 0.049 4.399 4.350 -0.001 0.000 0.253 203 T C 0.412 175.152 174.700 0.067 0.000 1.134 203 T CA -0.198 61.939 62.100 0.062 0.000 1.051 203 T CB 0.012 68.914 68.868 0.056 0.000 0.959 203 T HN 0.212 nan 8.240 nan 0.000 0.525 204 D N 1.192 121.634 120.400 0.070 0.000 2.428 204 D HA 0.409 5.049 4.640 -0.001 0.000 0.221 204 D C 1.431 177.801 176.300 0.116 0.000 1.123 204 D CA -0.330 53.719 54.000 0.081 0.000 0.869 204 D CB 0.886 41.727 40.800 0.069 0.000 1.032 204 D HN 0.209 nan 8.370 nan 0.000 0.506 205 G N 2.958 111.840 108.800 0.138 0.000 2.442 205 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.219 205 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.219 205 G C 1.407 176.470 174.900 0.272 0.000 1.141 205 G CA 0.947 46.184 45.100 0.227 0.000 0.763 205 G HN 0.575 nan 8.290 nan 0.000 0.554 206 A N 1.143 124.060 122.820 0.162 0.000 1.902 206 A HA 0.268 4.588 4.320 -0.001 0.000 0.217 206 A C 2.811 180.473 177.584 0.130 0.000 1.181 206 A CA 2.229 54.337 52.037 0.118 0.000 0.623 206 A CB -0.742 18.302 19.000 0.073 0.000 0.818 206 A HN 0.774 nan 8.150 nan 0.000 0.443 207 A N -0.185 122.712 122.820 0.129 0.000 1.930 207 A HA 0.198 4.517 4.320 -0.001 0.000 0.217 207 A C 2.481 180.174 177.584 0.182 0.000 1.175 207 A CA 1.913 54.025 52.037 0.125 0.000 0.627 207 A CB -0.956 18.099 19.000 0.092 0.000 0.815 207 A HN 1.053 nan 8.150 nan 0.000 0.443 208 A N -0.089 122.874 122.820 0.239 0.000 1.933 208 A HA 0.139 4.458 4.320 -0.001 0.000 0.218 208 A C 2.453 180.335 177.584 0.497 0.000 1.175 208 A CA 2.040 54.275 52.037 0.329 0.000 0.628 208 A CB -0.888 18.256 19.000 0.239 0.000 0.814 208 A HN 1.034 nan 8.150 nan 0.000 0.444 209 A N -0.250 122.831 122.820 0.435 0.000 1.930 209 A HA 0.226 4.545 4.320 -0.001 0.000 0.217 209 A C 2.455 180.079 177.584 0.067 0.000 1.175 209 A CA 1.778 53.885 52.037 0.118 0.000 0.627 209 A CB -0.886 18.014 19.000 -0.167 0.000 0.815 209 A HN 1.035 nan 8.150 nan 0.000 0.443 210 A N -0.928 121.958 122.820 0.109 0.000 1.972 210 A HA -0.189 4.130 4.320 -0.001 0.000 0.219 210 A C 2.041 179.692 177.584 0.112 0.000 1.169 210 A CA 2.143 54.230 52.037 0.083 0.000 0.635 210 A CB -0.747 18.310 19.000 0.095 0.000 0.810 210 A HN 0.735 nan 8.150 nan 0.000 0.446 211 H N -0.177 118.931 119.070 0.063 0.000 2.403 211 H HA 0.218 4.774 4.556 -0.001 0.000 0.298 211 H C 2.140 177.488 175.328 0.033 0.000 1.059 211 H CA 1.429 57.508 56.048 0.052 0.000 1.363 211 H CB -0.371 29.437 29.762 0.077 0.000 1.410 211 H HN 0.344 nan 8.280 nan 0.000 0.528 212 A N 0.732 123.519 122.820 -0.055 0.000 1.902 212 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 212 A C 2.520 179.946 177.584 -0.263 0.000 1.181 212 A CA 1.598 53.553 52.037 -0.137 0.000 0.623 212 A CB -0.907 18.176 19.000 0.138 0.000 0.818 212 A HN 0.470 nan 8.150 nan 0.000 0.443 213 L N -0.855 120.206 121.223 -0.270 0.000 2.156 213 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 213 L C 2.299 178.998 176.870 -0.285 0.000 1.095 213 L CA 1.445 56.004 54.840 -0.469 0.000 0.770 213 L CB -0.449 41.331 42.059 -0.466 0.000 0.914 213 L HN 0.419 nan 8.230 nan 0.000 0.439 214 D N 0.294 120.611 120.400 -0.139 0.000 2.144 214 D HA -0.151 4.489 4.640 -0.001 0.000 0.200 214 D C 2.270 178.513 176.300 -0.093 0.000 0.978 214 D CA 1.081 55.049 54.000 -0.054 0.000 0.833 214 D CB 0.110 40.930 40.800 0.034 0.000 0.961 214 D HN 0.167 nan 8.370 nan 0.000 0.470 215 L N -0.004 121.109 121.223 -0.183 0.000 2.027 215 L HA -0.111 4.229 4.340 -0.001 0.000 0.206 215 L C 2.580 179.336 176.870 -0.191 0.000 1.074 215 L CA 0.762 55.489 54.840 -0.189 0.000 0.745 215 L CB -0.345 41.555 42.059 -0.266 0.000 0.898 215 L HN 0.120 nan 8.230 nan 0.000 0.433 216 I N -0.130 120.279 120.570 -0.268 0.000 2.127 216 I HA -0.332 3.837 4.170 -0.001 0.000 0.241 216 I C 2.293 178.328 176.117 -0.136 0.000 1.075 216 I CA 1.241 62.372 61.300 -0.282 0.000 1.334 216 I CB -0.530 37.156 38.000 -0.523 0.000 1.040 216 I HN 0.360 nan 8.210 nan 0.000 0.405 217 N N 0.975 119.636 118.700 -0.064 0.000 2.061 217 N HA -0.178 4.562 4.740 -0.001 0.000 0.193 217 N C 1.794 177.312 175.510 0.013 0.000 1.030 217 N CA 1.371 54.463 53.050 0.070 0.000 0.856 217 N CB -0.245 38.309 38.487 0.113 0.000 1.023 217 N HN 0.311 nan 8.380 nan 0.000 0.424 218 K N 0.934 121.320 120.400 -0.022 0.000 2.137 218 K HA 0.078 4.397 4.320 -0.001 0.000 0.202 218 K C 1.909 178.479 176.600 -0.049 0.000 1.052 218 K CA 0.787 57.060 56.287 -0.022 0.000 0.961 218 K CB -0.059 32.434 32.500 -0.012 0.000 0.741 218 K HN 0.403 nan 8.250 nan 0.000 0.452 219 Q N 0.024 119.771 119.800 -0.088 0.000 2.373 219 Q HA 0.058 4.397 4.340 -0.001 0.000 0.210 219 Q C 1.861 177.719 176.000 -0.236 0.000 0.913 219 Q CA 0.426 56.159 55.803 -0.117 0.000 0.911 219 Q CB 0.657 29.340 28.738 -0.093 0.000 1.040 219 Q HN -0.008 nan 8.270 nan 0.000 0.521 220 V N -1.018 118.726 119.914 -0.283 0.000 2.690 220 V HA 0.276 4.395 4.120 -0.001 0.000 0.240 220 V C 0.747 176.728 176.094 -0.189 0.000 1.078 220 V CA 0.640 62.695 62.300 -0.408 0.000 1.102 220 V CB 0.393 31.945 31.823 -0.451 0.000 0.800 220 V HN 0.396 nan 8.190 nan 0.000 0.479 221 G N 0.188 108.942 108.800 -0.076 0.000 3.322 221 G HA2 0.178 4.137 3.960 -0.001 0.000 0.686 221 G HA3 0.178 4.137 3.960 -0.001 0.000 0.686 221 G C 0.468 175.408 174.900 0.068 0.000 1.015 221 G CA -0.067 45.033 45.100 -0.001 0.000 0.826 221 G HN 0.727 nan 8.290 nan 0.000 0.538 222 A N 1.860 124.760 122.820 0.134 0.000 1.940 222 A HA 0.008 4.327 4.320 -0.001 0.000 0.219 222 A C 2.103 179.723 177.584 0.059 0.000 1.176 222 A CA 2.421 54.578 52.037 0.200 0.000 0.631 222 A CB -0.218 18.828 19.000 0.076 0.000 0.814 222 A HN 1.490 nan 8.150 nan 0.000 0.446 223 D N -0.969 119.438 120.400 0.011 0.000 2.340 223 D HA -0.032 4.608 4.640 -0.001 0.000 0.220 223 D C 0.584 176.888 176.300 0.006 0.000 1.039 223 D CA 0.297 54.289 54.000 -0.014 0.000 0.866 223 D CB -0.593 40.188 40.800 -0.031 0.000 0.913 223 D HN 0.391 nan 8.370 nan 0.000 0.523 224 N N 0.110 118.824 118.700 0.024 0.000 2.280 224 N HA 0.045 4.784 4.740 -0.001 0.000 0.192 224 N C -0.184 175.358 175.510 0.053 0.000 1.109 224 N CA 0.001 53.065 53.050 0.024 0.000 0.855 224 N CB 1.698 40.182 38.487 -0.004 0.000 0.974 224 N HN 0.068 nan 8.380 nan 0.000 0.482 225 V N 1.797 121.768 119.914 0.094 0.000 2.368 225 V HA 0.269 4.388 4.120 -0.001 0.000 0.266 225 V C 1.207 177.384 176.094 0.139 0.000 1.045 225 V CA -0.321 62.064 62.300 0.142 0.000 0.899 225 V CB 0.889 32.871 31.823 0.266 0.000 1.006 225 V HN 0.136 nan 8.190 nan 0.000 0.470 226 A N 4.544 127.436 122.820 0.120 0.000 1.898 226 A HA 0.589 4.909 4.320 -0.001 0.000 0.214 226 A C 1.142 178.809 177.584 0.137 0.000 1.183 226 A CA 1.166 53.273 52.037 0.116 0.000 0.622 226 A CB 0.090 19.146 19.000 0.094 0.000 0.824 226 A HN 1.114 nan 8.150 nan 0.000 0.444 227 A N -1.290 121.614 122.820 0.140 0.000 2.486 227 A HA 0.592 4.911 4.320 -0.001 0.000 0.300 227 A C -1.268 176.425 177.584 0.183 0.000 1.048 227 A CA -0.358 51.768 52.037 0.148 0.000 0.696 227 A CB 1.489 20.541 19.000 0.087 0.000 1.278 227 A HN 0.416 nan 8.150 nan 0.000 0.405 228 V N 2.319 122.392 119.914 0.264 0.000 2.378 228 V HA 0.479 4.598 4.120 -0.001 0.000 0.288 228 V C -0.528 175.780 176.094 0.357 0.000 1.016 228 V CA -0.457 62.043 62.300 0.334 0.000 0.840 228 V CB 1.332 33.402 31.823 0.412 0.000 0.994 228 V HN 0.664 nan 8.190 nan 0.000 0.431 229 V N 6.927 127.022 119.914 0.301 0.000 2.384 229 V HA 0.601 4.721 4.120 -0.001 0.000 0.287 229 V C -0.274 176.023 176.094 0.338 0.000 1.020 229 V CA -0.454 61.938 62.300 0.153 0.000 0.850 229 V CB 1.770 33.542 31.823 -0.084 0.000 0.987 229 V HN 0.752 nan 8.190 nan 0.000 0.436 230 I N 3.042 123.720 120.570 0.181 0.000 2.752 230 I HA 0.477 4.647 4.170 -0.001 0.000 0.295 230 I C -0.453 175.694 176.117 0.050 0.000 1.219 230 I CA -0.560 60.835 61.300 0.158 0.000 1.030 230 I CB 2.903 40.837 38.000 -0.111 0.000 1.259 230 I HN 0.653 nan 8.210 nan 0.000 0.423 231 E N 7.333 127.565 120.200 0.052 0.000 2.313 231 E HA 0.200 4.549 4.350 -0.001 0.000 0.276 231 E C -1.968 174.500 176.600 -0.220 0.000 1.031 231 E CA -1.360 54.999 56.400 -0.067 0.000 0.857 231 E CB 0.775 30.442 29.700 -0.057 0.000 1.040 231 E HN 0.362 nan 8.360 nan 0.000 0.408 232 P HA -0.077 nan 4.420 nan 0.000 0.223 232 P C -0.384 176.790 177.300 -0.210 0.000 1.151 232 P CA 0.758 63.776 63.100 -0.137 0.000 0.787 232 P CB 0.400 32.061 31.700 -0.065 0.000 0.788 233 V N 0.329 120.093 119.914 -0.251 0.000 2.531 233 V HA 0.193 4.313 4.120 -0.001 0.000 0.301 233 V C -0.167 175.759 176.094 -0.280 0.000 1.034 233 V CA -0.931 61.201 62.300 -0.280 0.000 0.865 233 V CB 1.322 32.978 31.823 -0.278 0.000 0.995 233 V HN 0.077 nan 8.190 nan 0.000 0.424 234 H N 3.800 122.823 119.070 -0.078 0.000 2.944 234 H HA 0.207 4.762 4.556 -0.001 0.000 0.278 234 H C 1.032 176.363 175.328 0.005 0.000 1.083 234 H CA 0.655 56.682 56.048 -0.036 0.000 1.479 234 H CB 1.382 31.130 29.762 -0.023 0.000 1.486 234 H HN 0.847 nan 8.280 nan 0.000 0.493 235 G N 3.302 112.169 108.800 0.110 0.000 2.607 235 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.215 235 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.215 235 G C 1.328 176.372 174.900 0.241 0.000 1.275 235 G CA -0.034 45.170 45.100 0.175 0.000 0.842 235 G HN 0.446 nan 8.290 nan 0.000 0.555 236 E N 1.010 121.248 120.200 0.063 0.000 2.209 236 E HA -0.085 4.265 4.350 -0.001 0.000 0.196 236 E C 2.560 179.168 176.600 0.014 0.000 0.993 236 E CA 0.956 57.317 56.400 -0.065 0.000 0.819 236 E CB -0.811 28.638 29.700 -0.419 0.000 0.745 236 E HN 0.378 nan 8.360 nan 0.000 0.477 237 G N -0.022 108.821 108.800 0.072 0.000 2.776 237 G HA2 0.079 4.038 3.960 -0.001 0.000 0.209 237 G HA3 0.079 4.038 3.960 -0.001 0.000 0.209 237 G C 0.975 175.882 174.900 0.012 0.000 1.145 237 G CA 0.599 45.743 45.100 0.074 0.000 0.791 237 G HN 0.426 nan 8.290 nan 0.000 0.530 238 G N -1.073 107.746 108.800 0.032 0.000 2.147 238 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.128 238 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.128 238 G C 0.356 175.291 174.900 0.058 0.000 1.026 238 G CA -0.234 44.848 45.100 -0.031 0.000 0.693 238 G HN 0.569 nan 8.290 nan 0.000 0.499 239 F N -1.537 118.351 119.950 -0.104 0.000 3.048 239 F HA -0.202 4.324 4.527 -0.001 0.000 0.269 239 F C 1.097 176.814 175.800 -0.138 0.000 0.960 239 F CA 0.204 58.143 58.000 -0.102 0.000 0.909 239 F CB -2.014 36.927 39.000 -0.097 0.000 0.837 239 F HN 0.280 nan 8.300 nan 0.000 0.768 240 V N 1.229 121.131 119.914 -0.020 0.000 2.470 240 V HA 0.238 4.358 4.120 -0.001 0.000 0.276 240 V C 0.552 176.596 176.094 -0.082 0.000 1.040 240 V CA -0.515 61.675 62.300 -0.182 0.000 1.008 240 V CB 1.410 32.964 31.823 -0.449 0.000 0.990 240 V HN 0.050 nan 8.190 nan 0.000 0.477 241 V N 8.214 128.084 119.914 -0.074 0.000 2.347 241 V HA 0.324 4.443 4.120 -0.001 0.000 0.280 241 V C -2.140 173.930 176.094 -0.040 0.000 1.021 241 V CA -1.993 60.264 62.300 -0.070 0.000 0.847 241 V CB 1.362 33.155 31.823 -0.051 0.000 0.990 241 V HN 0.752 nan 8.190 nan 0.000 0.444 242 P HA 0.158 nan 4.420 nan 0.000 0.266 242 P C 0.065 177.373 177.300 0.013 0.000 1.195 242 P CA 0.115 63.165 63.100 -0.083 0.000 0.768 242 P CB 0.473 32.144 31.700 -0.049 0.000 0.838 243 A N 5.451 128.281 122.820 0.016 0.000 2.555 243 A HA 0.199 4.518 4.320 -0.001 0.000 0.233 243 A C -1.959 175.698 177.584 0.121 0.000 1.060 243 A CA -0.702 51.380 52.037 0.074 0.000 0.759 243 A CB -1.485 17.559 19.000 0.074 0.000 0.995 243 A HN 0.428 nan 8.150 nan 0.000 0.506 244 P HA 0.227 nan 4.420 nan 0.000 0.262 244 P C 1.033 178.404 177.300 0.119 0.000 1.182 244 P CA 1.911 65.077 63.100 0.110 0.000 0.761 244 P CB 0.517 32.263 31.700 0.077 0.000 0.795 245 G N 2.129 111.001 108.800 0.119 0.000 2.213 245 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.226 245 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.226 245 G C 0.770 175.750 174.900 0.133 0.000 0.992 245 G CA 0.084 45.245 45.100 0.102 0.000 0.632 245 G HN 0.471 nan 8.290 nan 0.000 0.511 246 F N 1.413 121.381 119.950 0.029 0.000 2.051 246 F HA 0.193 4.720 4.527 -0.001 0.000 0.296 246 F C 2.637 178.432 175.800 -0.009 0.000 1.122 246 F CA 2.313 60.325 58.000 0.020 0.000 1.201 246 F CB -0.397 38.620 39.000 0.028 0.000 0.978 246 F HN 0.173 nan 8.300 nan 0.000 0.472 247 L N -0.472 120.802 121.223 0.086 0.000 2.093 247 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 247 L C 2.763 179.568 176.870 -0.108 0.000 1.085 247 L CA 1.171 56.017 54.840 0.011 0.000 0.755 247 L CB -1.648 40.520 42.059 0.181 0.000 0.904 247 L HN 0.331 nan 8.230 nan 0.000 0.435 248 G N -0.023 108.752 108.800 -0.041 0.000 2.446 248 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.217 248 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.217 248 G C 1.786 176.608 174.900 -0.129 0.000 1.168 248 G CA 0.896 45.962 45.100 -0.056 0.000 0.771 248 G HN 0.464 nan 8.290 nan 0.000 0.551 249 A N 0.459 123.194 122.820 -0.143 0.000 1.933 249 A HA 0.119 4.439 4.320 -0.001 0.000 0.218 249 A C 2.453 179.910 177.584 -0.213 0.000 1.175 249 A CA 1.255 53.208 52.037 -0.140 0.000 0.628 249 A CB -0.364 18.564 19.000 -0.120 0.000 0.814 249 A HN 0.362 nan 8.150 nan 0.000 0.444 250 L N -0.755 120.222 121.223 -0.411 0.000 2.046 250 L HA -0.250 4.089 4.340 -0.001 0.000 0.208 250 L C 2.922 179.397 176.870 -0.659 0.000 1.077 250 L CA 1.879 56.401 54.840 -0.531 0.000 0.747 250 L CB -0.633 40.997 42.059 -0.715 0.000 0.896 250 L HN 0.636 nan 8.230 nan 0.000 0.432 251 Q N 1.096 120.384 119.800 -0.853 0.000 1.993 251 Q HA -0.296 4.043 4.340 -0.001 0.000 0.202 251 Q C 2.270 178.153 176.000 -0.195 0.000 0.984 251 Q CA 2.165 57.612 55.803 -0.593 0.000 0.837 251 Q CB -0.064 28.534 28.738 -0.234 0.000 0.902 251 Q HN 0.359 nan 8.270 nan 0.000 0.423 252 K N -0.292 120.033 120.400 -0.125 0.000 2.020 252 K HA -0.236 4.083 4.320 -0.001 0.000 0.212 252 K C 1.836 178.426 176.600 -0.016 0.000 1.050 252 K CA 1.899 58.155 56.287 -0.051 0.000 0.929 252 K CB -0.667 31.815 32.500 -0.030 0.000 0.714 252 K HN 0.456 nan 8.250 nan 0.000 0.443 253 W N 1.079 122.285 121.300 -0.157 0.000 2.342 253 W HA -0.291 4.369 4.660 -0.001 0.000 0.297 253 W C 1.962 178.424 176.519 -0.094 0.000 1.213 253 W CA 1.572 58.847 57.345 -0.117 0.000 1.251 253 W CB -0.379 29.006 29.460 -0.125 0.000 1.136 253 W HN 0.207 nan 8.180 nan 0.000 0.526 254 C N -0.201 119.190 119.300 0.152 0.000 2.462 254 C HA -0.176 4.284 4.460 -0.001 0.000 0.278 254 C C 2.658 177.589 174.990 -0.097 0.000 1.253 254 C CA 1.902 60.965 59.018 0.075 0.000 1.713 254 C CB -1.347 26.505 27.740 0.186 0.000 2.049 254 C HN 0.393 nan 8.230 nan 0.000 0.477 255 T N 0.873 115.387 114.554 -0.068 0.000 2.699 255 T HA -0.192 4.158 4.350 -0.001 0.000 0.268 255 T C 1.185 175.801 174.700 -0.140 0.000 1.036 255 T CA 1.932 63.984 62.100 -0.080 0.000 1.147 255 T CB -0.416 68.417 68.868 -0.058 0.000 0.862 255 T HN 0.521 nan 8.240 nan 0.000 0.446 256 D N 0.775 121.050 120.400 -0.209 0.000 2.277 256 D HA 0.018 4.658 4.640 -0.001 0.000 0.208 256 D C 1.633 177.738 176.300 -0.324 0.000 0.962 256 D CA 0.658 54.516 54.000 -0.237 0.000 0.865 256 D CB -0.165 40.488 40.800 -0.245 0.000 0.939 256 D HN 0.337 nan 8.370 nan 0.000 0.510 257 N N -0.474 117.935 118.700 -0.484 0.000 2.187 257 N HA 0.118 4.857 4.740 -0.001 0.000 0.212 257 N C 0.920 176.242 175.510 -0.314 0.000 1.152 257 N CA 0.429 53.156 53.050 -0.539 0.000 0.872 257 N CB 1.640 39.460 38.487 -1.112 0.000 1.025 257 N HN 0.103 nan 8.380 nan 0.000 0.514 258 G N 0.890 109.575 108.800 -0.191 0.000 2.160 258 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.251 258 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.251 258 G C 0.171 175.074 174.900 0.006 0.000 1.008 258 G CA 0.433 45.497 45.100 -0.060 0.000 0.724 258 G HN 0.563 nan 8.290 nan 0.000 0.514 259 A N -0.809 122.007 122.820 -0.006 0.000 2.282 259 A HA 0.815 5.134 4.320 -0.001 0.000 0.319 259 A C 0.331 178.005 177.584 0.150 0.000 1.121 259 A CA -0.174 51.931 52.037 0.115 0.000 0.836 259 A CB 1.583 20.719 19.000 0.228 0.000 1.146 259 A HN 1.117 nan 8.150 nan 0.000 0.494 260 V N 2.225 122.240 119.914 0.169 0.000 2.385 260 V HA 0.191 4.311 4.120 -0.001 0.000 0.269 260 V C -0.402 175.829 176.094 0.228 0.000 1.043 260 V CA -0.140 62.245 62.300 0.142 0.000 0.906 260 V CB 0.281 32.154 31.823 0.083 0.000 0.995 260 V HN 0.671 nan 8.190 nan 0.000 0.467 261 F N 6.699 126.678 119.950 0.049 0.000 2.444 261 F HA 0.483 5.010 4.527 -0.001 0.000 0.360 261 F C 0.024 175.839 175.800 0.026 0.000 1.106 261 F CA -0.682 57.354 58.000 0.059 0.000 1.170 261 F CB 0.978 40.009 39.000 0.052 0.000 1.113 261 F HN 0.246 nan 8.300 nan 0.000 0.521 262 V N 6.898 126.637 119.914 -0.293 0.000 2.328 262 V HA 0.553 4.672 4.120 -0.001 0.000 0.278 262 V C 0.163 175.917 176.094 -0.566 0.000 1.021 262 V CA -0.918 61.171 62.300 -0.351 0.000 0.838 262 V CB 0.826 32.557 31.823 -0.153 0.000 0.999 262 V HN 0.957 nan 8.190 nan 0.000 0.447 263 A N 3.353 125.833 122.820 -0.567 0.000 2.310 263 A HA 0.390 4.709 4.320 -0.001 0.000 0.300 263 A C 0.128 177.590 177.584 -0.203 0.000 1.269 263 A CA -0.263 51.525 52.037 -0.415 0.000 0.909 263 A CB 0.061 18.847 19.000 -0.356 0.000 1.144 263 A HN 0.788 nan 8.150 nan 0.000 0.540 264 D N 2.838 123.176 120.400 -0.102 0.000 2.453 264 D HA 0.109 4.748 4.640 -0.001 0.000 0.223 264 D C 0.306 176.612 176.300 0.010 0.000 1.183 264 D CA 0.170 54.171 54.000 0.002 0.000 0.933 264 D CB 0.387 41.282 40.800 0.159 0.000 1.038 264 D HN 0.588 nan 8.370 nan 0.000 0.513 265 E N 2.693 122.896 120.200 0.006 0.000 2.496 265 E HA 0.040 4.390 4.350 -0.001 0.000 0.200 265 E C 1.702 178.361 176.600 0.099 0.000 1.016 265 E CA -0.163 56.263 56.400 0.043 0.000 0.962 265 E CB 0.964 30.704 29.700 0.066 0.000 1.071 265 E HN 0.311 nan 8.360 nan 0.000 0.457 266 V N 1.104 121.074 119.914 0.093 0.000 2.250 266 V HA -0.355 3.764 4.120 -0.001 0.000 0.250 266 V C 2.437 178.590 176.094 0.100 0.000 1.060 266 V CA 2.292 64.658 62.300 0.110 0.000 1.030 266 V CB -0.285 31.600 31.823 0.103 0.000 0.643 266 V HN 0.347 nan 8.190 nan 0.000 0.445 267 Q N -0.746 119.091 119.800 0.061 0.000 2.165 267 Q HA -0.115 4.224 4.340 -0.001 0.000 0.197 267 Q C 2.249 178.243 176.000 -0.010 0.000 0.952 267 Q CA 1.542 57.358 55.803 0.022 0.000 0.848 267 Q CB 0.048 28.780 28.738 -0.011 0.000 0.931 267 Q HN 0.830 nan 8.270 nan 0.000 0.470 268 T N -2.581 111.961 114.554 -0.021 0.000 3.085 268 T HA 0.157 4.506 4.350 -0.001 0.000 0.263 268 T C 0.900 175.602 174.700 0.004 0.000 1.127 268 T CA 0.240 62.309 62.100 -0.051 0.000 1.103 268 T CB 0.031 68.856 68.868 -0.072 0.000 0.921 268 T HN 0.226 nan 8.240 nan 0.000 0.510 269 G N 0.112 108.970 108.800 0.098 0.000 2.616 269 G HA2 0.444 4.403 3.960 -0.001 0.000 0.268 269 G HA3 0.444 4.403 3.960 -0.001 0.000 0.268 269 G C -0.524 174.380 174.900 0.007 0.000 1.213 269 G CA -1.045 44.123 45.100 0.113 0.000 0.926 269 G HN 0.313 nan 8.290 nan 0.000 0.523 270 F N -0.982 118.750 119.950 -0.363 0.000 2.688 270 F HA -0.152 4.375 4.527 -0.001 0.000 0.276 270 F C 1.572 177.221 175.800 -0.250 0.000 1.034 270 F CA 1.363 59.159 58.000 -0.340 0.000 0.991 270 F CB -1.561 37.342 39.000 -0.161 0.000 1.119 270 F HN 1.687 nan 8.300 nan 0.000 0.837 271 A N -1.034 121.645 122.820 -0.234 0.000 4.030 271 A HA -0.424 3.896 4.320 -0.001 0.000 0.261 271 A C 1.735 179.255 177.584 -0.105 0.000 0.920 271 A CA 1.958 53.906 52.037 -0.148 0.000 1.304 271 A CB -1.381 17.570 19.000 -0.082 0.000 1.035 271 A HN 0.709 nan 8.150 nan 0.000 0.829 272 R N 1.121 121.569 120.500 -0.087 0.000 2.119 272 R HA -0.141 4.198 4.340 -0.001 0.000 0.246 272 R C 1.987 178.225 176.300 -0.104 0.000 1.146 272 R CA 3.244 59.297 56.100 -0.079 0.000 0.962 272 R CB -1.054 29.205 30.300 -0.069 0.000 0.863 272 R HN 1.178 nan 8.270 nan 0.000 0.442 273 T N -4.108 110.374 114.554 -0.120 0.000 3.105 273 T HA 0.318 4.667 4.350 -0.001 0.000 0.253 273 T C 1.054 175.685 174.700 -0.115 0.000 1.047 273 T CA 0.243 62.263 62.100 -0.134 0.000 0.944 273 T CB 0.342 69.117 68.868 -0.155 0.000 1.016 273 T HN 0.443 nan 8.240 nan 0.000 0.544 274 G N 0.319 109.063 108.800 -0.094 0.000 2.141 274 G HA2 0.158 4.118 3.960 -0.001 0.000 0.242 274 G HA3 0.158 4.118 3.960 -0.001 0.000 0.242 274 G C 0.137 175.006 174.900 -0.053 0.000 0.982 274 G CA -0.336 44.724 45.100 -0.068 0.000 0.662 274 G HN 1.351 nan 8.290 nan 0.000 0.527 275 A N -1.544 121.231 122.820 -0.074 0.000 2.594 275 A HA 0.859 5.179 4.320 -0.001 0.000 0.291 275 A C 0.819 178.303 177.584 -0.167 0.000 1.105 275 A CA 0.254 52.247 52.037 -0.073 0.000 0.694 275 A CB 0.747 19.741 19.000 -0.010 0.000 1.291 275 A HN 1.241 nan 8.150 nan 0.000 0.410 276 L N -0.063 121.024 121.223 -0.227 0.000 2.093 276 L HA 0.272 4.612 4.340 -0.001 0.000 0.208 276 L C -0.395 175.916 176.870 -0.932 0.000 1.085 276 L CA 2.013 56.545 54.840 -0.512 0.000 0.755 276 L CB -0.464 41.316 42.059 -0.464 0.000 0.904 276 L HN 0.539 nan 8.230 nan 0.000 0.435 277 F N -1.931 117.929 119.950 -0.151 0.000 2.556 277 F HA 0.534 5.060 4.527 -0.001 0.000 0.314 277 F C 1.034 176.782 175.800 -0.087 0.000 1.106 277 F CA -0.476 57.434 58.000 -0.150 0.000 0.911 277 F CB 1.209 40.108 39.000 -0.169 0.000 1.190 277 F HN -0.171 nan 8.300 nan 0.000 0.448 278 A N 0.656 123.530 122.820 0.089 0.000 2.070 278 A HA -0.134 4.185 4.320 -0.001 0.000 0.220 278 A C 1.991 179.621 177.584 0.077 0.000 1.159 278 A CA 1.600 53.656 52.037 0.033 0.000 0.656 278 A CB -1.136 17.846 19.000 -0.031 0.000 0.800 278 A HN 0.911 nan 8.150 nan 0.000 0.453 279 C N -0.409 118.944 119.300 0.089 0.000 2.403 279 C HA -0.144 4.316 4.460 -0.001 0.000 0.279 279 C C 2.514 177.563 174.990 0.099 0.000 1.269 279 C CA 1.332 60.400 59.018 0.083 0.000 1.774 279 C CB -1.323 26.443 27.740 0.043 0.000 1.993 279 C HN 0.690 nan 8.230 nan 0.000 0.496 280 E N -0.718 119.546 120.200 0.107 0.000 2.153 280 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 280 E C 1.786 178.441 176.600 0.092 0.000 0.988 280 E CA 1.146 57.598 56.400 0.088 0.000 0.811 280 E CB -0.271 29.475 29.700 0.077 0.000 0.746 280 E HN 0.762 nan 8.360 nan 0.000 0.466 281 H N 1.137 120.217 119.070 0.016 0.000 2.390 281 H HA -0.114 4.442 4.556 -0.001 0.000 0.298 281 H C 0.930 176.269 175.328 0.019 0.000 1.106 281 H CA 1.677 57.731 56.048 0.009 0.000 1.297 281 H CB 0.228 29.991 29.762 0.000 0.000 1.375 281 H HN 0.078 nan 8.280 nan 0.000 0.509 282 E N -0.299 119.916 120.200 0.024 0.000 2.569 282 E HA 0.096 4.446 4.350 -0.001 0.000 0.205 282 E C -0.437 176.168 176.600 0.008 0.000 1.006 282 E CA -0.067 56.320 56.400 -0.021 0.000 0.985 282 E CB 0.407 30.130 29.700 0.038 0.000 1.060 282 E HN 0.438 nan 8.360 nan 0.000 0.460 283 N N 0.479 119.189 118.700 0.017 0.000 2.727 283 N HA -0.162 4.578 4.740 -0.001 0.000 0.249 283 N C -0.636 174.903 175.510 0.047 0.000 1.048 283 N CA 0.496 53.563 53.050 0.027 0.000 0.714 283 N CB -1.337 37.157 38.487 0.011 0.000 0.959 283 N HN 0.028 nan 8.380 nan 0.000 0.544 284 V N 1.066 121.022 119.914 0.070 0.000 2.488 284 V HA 0.193 4.312 4.120 -0.001 0.000 0.277 284 V C 0.787 176.940 176.094 0.098 0.000 1.046 284 V CA -0.403 61.958 62.300 0.102 0.000 0.986 284 V CB 1.854 33.764 31.823 0.146 0.000 0.989 284 V HN 0.036 nan 8.190 nan 0.000 0.475 285 V N 8.663 128.643 119.914 0.110 0.000 2.293 285 V HA 0.343 4.463 4.120 -0.001 0.000 0.275 285 V C -1.968 174.213 176.094 0.144 0.000 1.021 285 V CA -1.469 60.897 62.300 0.110 0.000 0.815 285 V CB 1.381 33.277 31.823 0.122 0.000 1.025 285 V HN 0.763 nan 8.190 nan 0.000 0.448 286 P HA 0.305 nan 4.420 nan 0.000 0.279 286 P C 0.154 177.477 177.300 0.038 0.000 1.252 286 P CA -0.330 62.822 63.100 0.087 0.000 0.811 286 P CB 1.549 33.145 31.700 -0.174 0.000 1.035 287 D N 0.067 120.493 120.400 0.042 0.000 2.117 287 D HA -0.003 4.637 4.640 -0.001 0.000 0.198 287 D C 0.632 176.897 176.300 -0.059 0.000 0.982 287 D CA 1.525 55.510 54.000 -0.026 0.000 0.828 287 D CB 0.165 40.968 40.800 0.005 0.000 0.967 287 D HN 0.298 nan 8.370 nan 0.000 0.464 288 L N 0.336 121.505 121.223 -0.089 0.000 2.388 288 L HA 0.524 4.863 4.340 -0.001 0.000 0.264 288 L C -0.694 176.081 176.870 -0.159 0.000 0.998 288 L CA -0.821 53.958 54.840 -0.101 0.000 0.817 288 L CB 3.164 45.173 42.059 -0.084 0.000 1.338 288 L HN -0.166 nan 8.230 nan 0.000 0.414 289 I N 1.896 122.371 120.570 -0.159 0.000 2.545 289 I HA 0.537 4.707 4.170 -0.001 0.000 0.292 289 I C -1.061 174.975 176.117 -0.135 0.000 1.040 289 I CA -0.620 60.557 61.300 -0.204 0.000 1.068 289 I CB 2.124 39.927 38.000 -0.328 0.000 1.251 289 I HN 0.248 nan 8.210 nan 0.000 0.424 290 V N 5.867 125.724 119.914 -0.095 0.000 2.427 290 V HA 0.605 4.725 4.120 -0.001 0.000 0.286 290 V C 0.128 176.242 176.094 0.032 0.000 1.034 290 V CA -0.275 62.016 62.300 -0.016 0.000 0.893 290 V CB 1.492 33.310 31.823 -0.007 0.000 0.982 290 V HN 0.856 nan 8.190 nan 0.000 0.452 291 T N 1.495 116.108 114.554 0.098 0.000 2.906 291 T HA 0.981 5.331 4.350 -0.001 0.000 0.295 291 T C -0.424 174.390 174.700 0.190 0.000 1.075 291 T CA -0.046 62.180 62.100 0.209 0.000 1.005 291 T CB 2.453 71.549 68.868 0.381 0.000 1.136 291 T HN 1.402 nan 8.240 nan 0.000 0.498 292 A N 0.856 123.796 122.820 0.200 0.000 3.269 292 A HA 0.720 5.039 4.320 -0.001 0.000 0.296 292 A C 0.253 177.879 177.584 0.070 0.000 1.061 292 A CA -0.043 52.056 52.037 0.105 0.000 0.577 292 A CB -0.405 18.651 19.000 0.093 0.000 1.557 292 A HN 0.970 nan 8.150 nan 0.000 0.712 293 K N -2.021 118.398 120.400 0.033 0.000 8.153 293 K HA -0.321 3.999 4.320 -0.001 0.000 0.389 293 K C 1.449 178.026 176.600 -0.038 0.000 0.556 293 K CA 2.310 58.606 56.287 0.015 0.000 1.356 293 K CB -1.702 30.826 32.500 0.047 0.000 0.798 293 K HN 1.588 nan 8.250 nan 0.000 1.027 294 G N 1.102 109.886 108.800 -0.026 0.000 2.598 294 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.215 294 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.215 294 G C 1.276 175.982 174.900 -0.324 0.000 1.131 294 G CA 0.759 45.803 45.100 -0.093 0.000 0.785 294 G HN 0.492 nan 8.290 nan 0.000 0.539 295 I N 0.277 120.547 120.570 -0.501 0.000 2.335 295 I HA -0.078 4.091 4.170 -0.001 0.000 0.251 295 I C 2.153 177.942 176.117 -0.548 0.000 1.129 295 I CA 1.513 62.228 61.300 -0.975 0.000 1.402 295 I CB 0.193 37.820 38.000 -0.621 0.000 1.069 295 I HN 0.206 nan 8.210 nan 0.000 0.424 296 A N -0.386 122.252 122.820 -0.303 0.000 2.610 296 A HA 0.469 4.788 4.320 -0.001 0.000 0.291 296 A C 1.203 178.700 177.584 -0.145 0.000 1.116 296 A CA 0.325 52.242 52.037 -0.200 0.000 0.963 296 A CB -0.117 18.796 19.000 -0.145 0.000 1.220 296 A HN 0.582 nan 8.150 nan 0.000 0.530 297 G N -1.107 107.605 108.800 -0.147 0.000 2.283 297 G HA2 0.103 4.062 3.960 -0.001 0.000 0.280 297 G HA3 0.103 4.062 3.960 -0.001 0.000 0.280 297 G C 1.482 176.338 174.900 -0.072 0.000 1.029 297 G CA 1.359 46.399 45.100 -0.100 0.000 0.840 297 G HN 2.182 nan 8.290 nan 0.000 0.505 298 G N -2.339 106.420 108.800 -0.068 0.000 2.481 298 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.200 298 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.200 298 G C 0.296 175.166 174.900 -0.050 0.000 1.012 298 G CA 0.122 45.193 45.100 -0.050 0.000 0.676 298 G HN 1.093 nan 8.290 nan 0.000 0.488 299 L N 2.829 124.015 121.223 -0.061 0.000 2.417 299 L HA 0.519 4.858 4.340 -0.001 0.000 0.268 299 L C -1.918 174.920 176.870 -0.053 0.000 1.158 299 L CA -1.553 53.252 54.840 -0.059 0.000 0.819 299 L CB 0.372 42.392 42.059 -0.065 0.000 1.112 299 L HN -0.054 nan 8.230 nan 0.000 0.458 300 P HA 0.306 nan 4.420 nan 0.000 0.274 300 P C -1.099 176.193 177.300 -0.013 0.000 1.291 300 P CA -0.125 62.959 63.100 -0.026 0.000 0.815 300 P CB 0.711 32.391 31.700 -0.034 0.000 0.897 301 L N 3.149 124.366 121.223 -0.010 0.000 2.505 301 L HA 0.658 4.998 4.340 -0.001 0.000 0.259 301 L C -0.771 176.109 176.870 0.017 0.000 0.952 301 L CA -0.156 54.678 54.840 -0.010 0.000 0.840 301 L CB 2.205 44.227 42.059 -0.062 0.000 1.358 301 L HN 0.425 nan 8.230 nan 0.000 0.409 302 S N 2.662 118.395 115.700 0.054 0.000 2.618 302 S HA 1.056 5.526 4.470 -0.001 0.000 0.277 302 S C -1.034 173.630 174.600 0.107 0.000 1.138 302 S CA -0.154 58.110 58.200 0.106 0.000 0.844 302 S CB 1.918 65.216 63.200 0.163 0.000 1.127 302 S HN 1.409 nan 8.310 nan 0.000 0.474 303 A N 0.507 123.411 122.820 0.140 0.000 2.594 303 A HA 0.799 5.119 4.320 -0.001 0.000 0.295 303 A C -1.509 176.163 177.584 0.147 0.000 1.071 303 A CA -0.778 51.322 52.037 0.104 0.000 0.685 303 A CB 1.563 20.578 19.000 0.025 0.000 1.285 303 A HN 1.246 nan 8.150 nan 0.000 0.405 304 V N 1.128 121.133 119.914 0.152 0.000 2.540 304 V HA 0.745 4.864 4.120 -0.001 0.000 0.302 304 V C -0.279 175.835 176.094 0.033 0.000 1.035 304 V CA -0.306 62.053 62.300 0.098 0.000 0.873 304 V CB 1.813 33.731 31.823 0.158 0.000 0.992 304 V HN 0.967 nan 8.190 nan 0.000 0.428 305 T N 2.946 117.486 114.554 -0.022 0.000 2.893 305 T HA 0.886 5.235 4.350 -0.001 0.000 0.293 305 T C 0.122 174.792 174.700 -0.050 0.000 1.027 305 T CA -0.220 61.854 62.100 -0.043 0.000 0.988 305 T CB 1.948 70.766 68.868 -0.083 0.000 1.043 305 T HN 1.186 nan 8.240 nan 0.000 0.461 306 G N 1.174 109.959 108.800 -0.024 0.000 2.428 306 G HA2 0.472 4.432 3.960 -0.001 0.000 0.304 306 G HA3 0.472 4.432 3.960 -0.001 0.000 0.304 306 G C -1.493 173.424 174.900 0.028 0.000 1.303 306 G CA -1.139 43.959 45.100 -0.004 0.000 0.825 306 G HN 0.689 nan 8.290 nan 0.000 0.484 307 R N 0.164 120.669 120.500 0.008 0.000 2.523 307 R HA 0.275 4.614 4.340 -0.001 0.000 0.281 307 R C 1.671 177.945 176.300 -0.044 0.000 0.969 307 R CA 0.511 56.599 56.100 -0.021 0.000 1.093 307 R CB 0.783 30.960 30.300 -0.205 0.000 0.917 307 R HN 0.683 nan 8.270 nan 0.000 0.408 308 A N 4.181 127.004 122.820 0.004 0.000 1.892 308 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 308 A C 1.736 179.301 177.584 -0.031 0.000 1.188 308 A CA 1.836 53.871 52.037 -0.003 0.000 0.631 308 A CB -0.303 18.709 19.000 0.020 0.000 0.822 308 A HN 0.830 nan 8.150 nan 0.000 0.447 309 E N 0.511 120.678 120.200 -0.054 0.000 2.058 309 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 309 E C 1.804 178.310 176.600 -0.157 0.000 0.997 309 E CA 1.566 57.943 56.400 -0.038 0.000 0.801 309 E CB -0.544 29.154 29.700 -0.003 0.000 0.746 309 E HN 0.721 nan 8.360 nan 0.000 0.450 310 I N 0.198 120.508 120.570 -0.433 0.000 2.179 310 I HA -0.229 3.940 4.170 -0.001 0.000 0.242 310 I C 2.199 178.204 176.117 -0.187 0.000 1.088 310 I CA 0.945 61.859 61.300 -0.643 0.000 1.357 310 I CB -0.386 37.254 38.000 -0.599 0.000 1.051 310 I HN 0.138 nan 8.210 nan 0.000 0.409 311 M N 0.122 119.661 119.600 -0.101 0.000 2.213 311 M HA -0.174 4.305 4.480 -0.001 0.000 0.263 311 M C 1.180 177.498 176.300 0.031 0.000 1.062 311 M CA 1.549 56.841 55.300 -0.014 0.000 1.105 311 M CB -1.107 31.492 32.600 -0.001 0.000 1.385 311 M HN 0.182 nan 8.290 nan 0.000 0.417 312 D N -0.051 120.369 120.400 0.033 0.000 2.336 312 D HA 0.091 4.730 4.640 -0.001 0.000 0.229 312 D C 1.889 178.249 176.300 0.100 0.000 1.061 312 D CA 0.376 54.414 54.000 0.063 0.000 0.875 312 D CB -0.361 40.472 40.800 0.055 0.000 0.904 312 D HN 0.370 nan 8.370 nan 0.000 0.525 313 G N 1.678 110.561 108.800 0.140 0.000 2.491 313 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.218 313 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.218 313 G C -1.426 173.544 174.900 0.116 0.000 1.180 313 G CA 0.136 45.351 45.100 0.192 0.000 0.774 313 G HN 0.290 nan 8.290 nan 0.000 0.562 314 P HA 0.221 nan 4.420 nan 0.000 0.275 314 P C -0.141 177.199 177.300 0.067 0.000 1.227 314 P CA -0.325 62.822 63.100 0.078 0.000 0.781 314 P CB 0.795 32.545 31.700 0.082 0.000 0.906 315 Q N 1.255 121.087 119.800 0.054 0.000 2.421 315 Q HA 0.148 4.487 4.340 -0.001 0.000 0.255 315 Q C 0.057 176.085 176.000 0.046 0.000 1.013 315 Q CA -0.424 55.405 55.803 0.044 0.000 0.895 315 Q CB 0.232 28.990 28.738 0.034 0.000 1.271 315 Q HN 0.272 nan 8.270 nan 0.000 0.460 316 S N 0.972 116.695 115.700 0.038 0.000 2.702 316 S HA 0.209 4.679 4.470 -0.001 0.000 0.314 316 S C 1.172 175.792 174.600 0.035 0.000 1.244 316 S CA 1.103 59.324 58.200 0.034 0.000 1.058 316 S CB -0.831 62.382 63.200 0.022 0.000 0.783 316 S HN 1.203 nan 8.310 nan 0.000 0.503 317 G N 3.579 112.405 108.800 0.042 0.000 2.225 317 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.254 317 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.254 317 G C 0.983 175.917 174.900 0.057 0.000 0.988 317 G CA 0.424 45.551 45.100 0.044 0.000 0.625 317 G HN 1.346 nan 8.290 nan 0.000 0.527 318 G N -0.280 108.558 108.800 0.062 0.000 2.572 318 G HA2 0.398 4.357 3.960 -0.001 0.000 0.216 318 G HA3 0.398 4.357 3.960 -0.001 0.000 0.216 318 G C 0.700 175.655 174.900 0.093 0.000 1.133 318 G CA 0.693 45.834 45.100 0.067 0.000 0.791 318 G HN 0.590 nan 8.290 nan 0.000 0.538 319 L N 0.225 121.523 121.223 0.125 0.000 2.322 319 L HA 0.747 5.086 4.340 -0.001 0.000 0.281 319 L C 0.463 177.467 176.870 0.223 0.000 1.014 319 L CA -0.515 54.445 54.840 0.200 0.000 0.815 319 L CB 2.025 44.231 42.059 0.245 0.000 1.247 319 L HN 0.179 nan 8.230 nan 0.000 0.421 320 G N 0.875 109.852 108.800 0.294 0.000 2.494 320 G HA2 0.684 4.644 3.960 -0.001 0.000 0.308 320 G HA3 0.684 4.644 3.960 -0.001 0.000 0.308 320 G C -0.966 174.111 174.900 0.295 0.000 1.263 320 G CA -0.091 45.158 45.100 0.248 0.000 0.840 320 G HN 0.917 nan 8.290 nan 0.000 0.479 321 G N -2.152 106.777 108.800 0.215 0.000 2.462 321 G HA2 0.455 4.414 3.960 -0.001 0.000 0.424 321 G HA3 0.455 4.414 3.960 -0.001 0.000 0.424 321 G C 0.382 175.397 174.900 0.192 0.000 1.573 321 G CA 0.621 45.846 45.100 0.208 0.000 0.913 321 G HN 1.132 nan 8.290 nan 0.000 0.672 322 T N 1.294 115.906 114.554 0.097 0.000 2.708 322 T HA -0.106 4.243 4.350 -0.001 0.000 0.266 322 T C 1.785 176.640 174.700 0.258 0.000 1.037 322 T CA 2.241 64.386 62.100 0.075 0.000 1.146 322 T CB -0.174 68.593 68.868 -0.169 0.000 0.865 322 T HN 0.519 nan 8.240 nan 0.000 0.435 323 Y N 0.998 121.458 120.300 0.266 0.000 2.517 323 Y HA 0.298 4.848 4.550 -0.001 0.000 0.281 323 Y C 1.922 177.994 175.900 0.286 0.000 1.125 323 Y CA -0.836 57.437 58.100 0.288 0.000 1.283 323 Y CB -0.013 38.544 38.460 0.162 0.000 1.042 323 Y HN 0.195 nan 8.280 nan 0.000 0.547 324 G N 0.275 109.320 108.800 0.409 0.000 2.321 324 G HA2 0.264 4.223 3.960 -0.001 0.000 0.237 324 G HA3 0.264 4.223 3.960 -0.001 0.000 0.237 324 G C 0.923 175.988 174.900 0.276 0.000 1.282 324 G CA 0.326 45.595 45.100 0.282 0.000 0.886 324 G HN 0.562 nan 8.290 nan 0.000 0.528 325 G N 1.271 110.137 108.800 0.109 0.000 2.272 325 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.280 325 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.280 325 G C 0.498 175.597 174.900 0.332 0.000 1.067 325 G CA 0.245 45.377 45.100 0.053 0.000 0.902 325 G HN 1.108 nan 8.290 nan 0.000 0.500 326 N N 0.419 119.267 118.700 0.247 0.000 2.412 326 N HA 0.099 4.839 4.740 -0.001 0.000 0.254 326 N C -0.379 175.214 175.510 0.139 0.000 1.232 326 N CA -0.445 52.748 53.050 0.237 0.000 0.880 326 N CB 1.023 39.598 38.487 0.145 0.000 1.076 326 N HN 0.055 nan 8.380 nan 0.000 0.458 327 P HA -0.158 nan 4.420 nan 0.000 0.216 327 P C 1.487 178.699 177.300 -0.146 0.000 1.157 327 P CA 1.154 64.147 63.100 -0.180 0.000 0.880 327 P CB 0.213 31.617 31.700 -0.493 0.000 0.791 328 L N -0.622 120.522 121.223 -0.131 0.000 2.017 328 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 328 L C 2.587 179.414 176.870 -0.072 0.000 1.073 328 L CA 2.204 56.978 54.840 -0.110 0.000 0.745 328 L CB -1.939 40.064 42.059 -0.093 0.000 0.894 328 L HN -0.095 nan 8.230 nan 0.000 0.432 329 A N -1.412 121.380 122.820 -0.046 0.000 1.940 329 A HA -0.235 4.084 4.320 -0.001 0.000 0.219 329 A C 2.441 179.994 177.584 -0.052 0.000 1.176 329 A CA 1.950 53.958 52.037 -0.048 0.000 0.631 329 A CB -1.310 17.671 19.000 -0.032 0.000 0.814 329 A HN 0.557 nan 8.150 nan 0.000 0.446 330 C N -1.161 118.130 119.300 -0.016 0.000 2.446 330 C HA 0.119 4.579 4.460 -0.001 0.000 0.277 330 C C 3.304 178.280 174.990 -0.022 0.000 1.275 330 C CA 0.572 59.586 59.018 -0.006 0.000 1.727 330 C CB -1.332 26.463 27.740 0.093 0.000 2.010 330 C HN 0.713 nan 8.230 nan 0.000 0.486 331 A N 0.844 123.643 122.820 -0.033 0.000 1.877 331 A HA 0.019 4.338 4.320 -0.001 0.000 0.216 331 A C 2.375 179.922 177.584 -0.063 0.000 1.186 331 A CA 2.217 54.225 52.037 -0.048 0.000 0.620 331 A CB -0.990 17.965 19.000 -0.075 0.000 0.822 331 A HN 0.565 nan 8.150 nan 0.000 0.443 332 A N -0.016 122.760 122.820 -0.074 0.000 1.851 332 A HA 0.090 4.410 4.320 -0.001 0.000 0.216 332 A C 2.576 180.093 177.584 -0.111 0.000 1.195 332 A CA 2.558 54.542 52.037 -0.087 0.000 0.622 332 A CB -1.316 17.631 19.000 -0.089 0.000 0.831 332 A HN 1.230 nan 8.150 nan 0.000 0.444 333 A N -0.351 122.393 122.820 -0.126 0.000 1.927 333 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 333 A C 2.195 179.690 177.584 -0.149 0.000 1.185 333 A CA 1.848 53.784 52.037 -0.168 0.000 0.639 333 A CB -0.764 18.142 19.000 -0.156 0.000 0.820 333 A HN 0.516 nan 8.150 nan 0.000 0.451 334 L N -1.125 120.030 121.223 -0.113 0.000 2.093 334 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 334 L C 3.063 179.858 176.870 -0.124 0.000 1.085 334 L CA 0.937 55.698 54.840 -0.132 0.000 0.755 334 L CB -0.507 41.510 42.059 -0.070 0.000 0.904 334 L HN 0.452 nan 8.230 nan 0.000 0.435 335 A N -0.410 122.352 122.820 -0.096 0.000 1.898 335 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 335 A C 2.362 179.893 177.584 -0.088 0.000 1.181 335 A CA 1.520 53.509 52.037 -0.081 0.000 0.620 335 A CB -0.737 18.223 19.000 -0.068 0.000 0.819 335 A HN 0.158 nan 8.150 nan 0.000 0.442 336 V N 0.214 120.061 119.914 -0.112 0.000 2.255 336 V HA -0.297 3.823 4.120 -0.001 0.000 0.247 336 V C 2.445 178.488 176.094 -0.085 0.000 1.051 336 V CA 2.244 64.473 62.300 -0.117 0.000 1.018 336 V CB -0.676 31.028 31.823 -0.199 0.000 0.641 336 V HN 0.586 nan 8.190 nan 0.000 0.445 337 I N 0.319 120.832 120.570 -0.095 0.000 2.163 337 I HA -0.293 3.876 4.170 -0.001 0.000 0.243 337 I C 2.349 178.427 176.117 -0.065 0.000 1.085 337 I CA 2.296 63.564 61.300 -0.054 0.000 1.347 337 I CB -0.459 37.461 38.000 -0.132 0.000 1.044 337 I HN 0.410 nan 8.210 nan 0.000 0.408 338 D N 0.162 120.507 120.400 -0.091 0.000 2.117 338 D HA -0.179 4.460 4.640 -0.001 0.000 0.197 338 D C 2.069 178.346 176.300 -0.038 0.000 0.987 338 D CA 1.799 55.764 54.000 -0.058 0.000 0.829 338 D CB 0.041 40.808 40.800 -0.055 0.000 0.961 338 D HN 0.187 nan 8.370 nan 0.000 0.460 339 T N 0.082 114.611 114.554 -0.042 0.000 2.684 339 T HA -0.156 4.194 4.350 -0.001 0.000 0.267 339 T C 2.078 176.763 174.700 -0.026 0.000 1.036 339 T CA 1.267 63.348 62.100 -0.033 0.000 1.148 339 T CB -0.383 68.462 68.868 -0.038 0.000 0.863 339 T HN 0.201 nan 8.240 nan 0.000 0.436 340 I N 0.785 121.341 120.570 -0.023 0.000 2.194 340 I HA -0.217 3.952 4.170 -0.001 0.000 0.246 340 I C 2.738 178.843 176.117 -0.020 0.000 1.093 340 I CA 1.477 62.767 61.300 -0.018 0.000 1.355 340 I CB -0.285 37.713 38.000 -0.004 0.000 1.046 340 I HN 0.232 nan 8.210 nan 0.000 0.413 341 E N 1.138 121.328 120.200 -0.016 0.000 2.047 341 E HA -0.243 4.106 4.350 -0.001 0.000 0.191 341 E C 2.253 178.847 176.600 -0.010 0.000 0.987 341 E CA 1.443 57.837 56.400 -0.011 0.000 0.799 341 E CB -0.151 29.547 29.700 -0.003 0.000 0.752 341 E HN 0.237 nan 8.360 nan 0.000 0.449 342 R N -0.056 120.437 120.500 -0.011 0.000 2.075 342 R HA -0.045 4.294 4.340 -0.001 0.000 0.232 342 R C 1.269 177.562 176.300 -0.010 0.000 1.126 342 R CA 1.494 57.589 56.100 -0.009 0.000 0.963 342 R CB 0.040 30.333 30.300 -0.011 0.000 0.858 342 R HN 0.081 nan 8.270 nan 0.000 0.435 343 E N 0.459 120.651 120.200 -0.013 0.000 2.465 343 E HA -0.007 4.342 4.350 -0.001 0.000 0.191 343 E C -0.290 176.301 176.600 -0.015 0.000 1.053 343 E CA -0.077 56.315 56.400 -0.013 0.000 0.869 343 E CB 0.058 29.749 29.700 -0.015 0.000 0.977 343 E HN 0.344 nan 8.360 nan 0.000 0.483 344 N N 1.030 119.721 118.700 -0.016 0.000 2.740 344 N HA -0.197 4.543 4.740 -0.001 0.000 0.248 344 N C 0.694 176.190 175.510 -0.024 0.000 1.062 344 N CA 0.132 53.171 53.050 -0.018 0.000 0.704 344 N CB -1.014 37.464 38.487 -0.014 0.000 0.968 344 N HN 0.261 nan 8.380 nan 0.000 0.547 345 L N -0.732 120.474 121.223 -0.028 0.000 2.275 345 L HA -0.114 4.226 4.340 -0.001 0.000 0.215 345 L C 2.272 179.117 176.870 -0.042 0.000 1.119 345 L CA 0.826 55.646 54.840 -0.033 0.000 0.790 345 L CB -0.192 41.849 42.059 -0.031 0.000 0.919 345 L HN 0.118 nan 8.230 nan 0.000 0.443 346 V N 0.397 120.282 119.914 -0.049 0.000 2.261 346 V HA -0.300 3.820 4.120 -0.001 0.000 0.246 346 V C 2.827 178.894 176.094 -0.044 0.000 1.047 346 V CA 1.890 64.154 62.300 -0.059 0.000 1.015 346 V CB -0.815 30.968 31.823 -0.068 0.000 0.642 346 V HN 0.492 nan 8.190 nan 0.000 0.446 347 A N 0.371 123.171 122.820 -0.034 0.000 1.917 347 A HA -0.318 4.002 4.320 -0.001 0.000 0.219 347 A C 2.297 179.864 177.584 -0.028 0.000 1.182 347 A CA 2.484 54.505 52.037 -0.026 0.000 0.633 347 A CB -0.588 18.400 19.000 -0.019 0.000 0.819 347 A HN 0.505 nan 8.150 nan 0.000 0.448 348 R N 0.058 120.540 120.500 -0.030 0.000 2.096 348 R HA -0.007 4.333 4.340 -0.001 0.000 0.235 348 R C 2.110 178.386 176.300 -0.040 0.000 1.127 348 R CA 1.862 57.943 56.100 -0.031 0.000 0.968 348 R CB -0.769 29.513 30.300 -0.029 0.000 0.861 348 R HN 0.386 nan 8.270 nan 0.000 0.440 349 A N 0.322 123.114 122.820 -0.046 0.000 1.933 349 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 349 A C 2.214 179.767 177.584 -0.052 0.000 1.175 349 A CA 1.594 53.599 52.037 -0.054 0.000 0.628 349 A CB -0.444 18.519 19.000 -0.062 0.000 0.814 349 A HN 0.379 nan 8.150 nan 0.000 0.444 350 R N -0.680 119.795 120.500 -0.042 0.000 2.066 350 R HA -0.029 4.311 4.340 -0.001 0.000 0.232 350 R C 2.513 178.794 176.300 -0.032 0.000 1.131 350 R CA 1.240 57.320 56.100 -0.034 0.000 0.955 350 R CB -0.425 29.862 30.300 -0.022 0.000 0.851 350 R HN 0.503 nan 8.270 nan 0.000 0.432 351 A N 0.983 123.785 122.820 -0.030 0.000 1.908 351 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 351 A C 2.125 179.686 177.584 -0.038 0.000 1.181 351 A CA 1.337 53.356 52.037 -0.028 0.000 0.627 351 A CB -0.566 18.419 19.000 -0.024 0.000 0.818 351 A HN 0.230 nan 8.150 nan 0.000 0.445 352 I N -0.393 120.147 120.570 -0.050 0.000 2.226 352 I HA -0.218 3.952 4.170 -0.001 0.000 0.245 352 I C 2.669 178.744 176.117 -0.071 0.000 1.100 352 I CA 1.154 62.412 61.300 -0.070 0.000 1.374 352 I CB -0.640 37.307 38.000 -0.090 0.000 1.057 352 I HN 0.420 nan 8.210 nan 0.000 0.413 353 G N 0.100 108.865 108.800 -0.057 0.000 2.422 353 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.218 353 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.218 353 G C 1.517 176.394 174.900 -0.039 0.000 1.146 353 G CA 0.664 45.736 45.100 -0.048 0.000 0.769 353 G HN 0.302 nan 8.290 nan 0.000 0.547 354 E N 0.046 120.225 120.200 -0.035 0.000 2.051 354 E HA -0.066 4.283 4.350 -0.001 0.000 0.192 354 E C 2.801 179.382 176.600 -0.032 0.000 0.991 354 E CA 1.602 57.986 56.400 -0.027 0.000 0.799 354 E CB -0.288 29.400 29.700 -0.021 0.000 0.748 354 E HN 0.326 nan 8.360 nan 0.000 0.449 355 T N 0.299 114.829 114.554 -0.039 0.000 2.674 355 T HA -0.170 4.179 4.350 -0.001 0.000 0.265 355 T C 1.879 176.545 174.700 -0.057 0.000 1.039 355 T CA 1.645 63.719 62.100 -0.043 0.000 1.150 355 T CB -0.216 68.626 68.868 -0.044 0.000 0.864 355 T HN 0.167 nan 8.240 nan 0.000 0.427 356 M N 0.341 119.896 119.600 -0.076 0.000 2.159 356 M HA 0.012 4.491 4.480 -0.001 0.000 0.263 356 M C 2.256 178.516 176.300 -0.065 0.000 1.063 356 M CA 1.417 56.658 55.300 -0.098 0.000 1.110 356 M CB -0.551 31.977 32.600 -0.121 0.000 1.374 356 M HN 0.196 nan 8.290 nan 0.000 0.411 357 L N -1.124 120.074 121.223 -0.041 0.000 2.093 357 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 357 L C 2.717 179.567 176.870 -0.033 0.000 1.085 357 L CA 0.929 55.753 54.840 -0.027 0.000 0.755 357 L CB -0.485 41.563 42.059 -0.017 0.000 0.904 357 L HN 0.286 nan 8.230 nan 0.000 0.435 358 S N -0.672 115.007 115.700 -0.035 0.000 2.357 358 S HA -0.089 4.380 4.470 -0.001 0.000 0.221 358 S C 2.234 176.809 174.600 -0.042 0.000 1.031 358 S CA 0.686 58.866 58.200 -0.033 0.000 0.982 358 S CB 0.011 63.196 63.200 -0.026 0.000 0.853 358 S HN 0.248 nan 8.310 nan 0.000 0.458 359 R N 0.942 121.412 120.500 -0.051 0.000 2.073 359 R HA 0.061 4.400 4.340 -0.001 0.000 0.234 359 R C 2.341 178.593 176.300 -0.080 0.000 1.134 359 R CA 1.126 57.191 56.100 -0.060 0.000 0.952 359 R CB -1.330 28.933 30.300 -0.062 0.000 0.850 359 R HN 0.443 nan 8.270 nan 0.000 0.433 360 L N -0.251 120.918 121.223 -0.091 0.000 2.083 360 L HA -0.098 4.242 4.340 -0.001 0.000 0.209 360 L C 2.526 179.340 176.870 -0.092 0.000 1.083 360 L CA 1.398 56.176 54.840 -0.103 0.000 0.752 360 L CB -0.877 41.139 42.059 -0.073 0.000 0.899 360 L HN 0.320 nan 8.230 nan 0.000 0.433 361 G N -0.283 108.478 108.800 -0.065 0.000 2.459 361 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.217 361 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.217 361 G C 1.788 176.652 174.900 -0.059 0.000 1.183 361 G CA 0.862 45.929 45.100 -0.055 0.000 0.776 361 G HN 0.463 nan 8.290 nan 0.000 0.552 362 A N 0.393 123.180 122.820 -0.055 0.000 1.892 362 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 362 A C 2.394 179.936 177.584 -0.070 0.000 1.188 362 A CA 1.904 53.910 52.037 -0.052 0.000 0.631 362 A CB -0.548 18.425 19.000 -0.043 0.000 0.822 362 A HN 0.457 nan 8.150 nan 0.000 0.447 363 L N -0.345 120.817 121.223 -0.101 0.000 2.046 363 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 363 L C 2.691 179.462 176.870 -0.164 0.000 1.077 363 L CA 2.201 56.951 54.840 -0.150 0.000 0.747 363 L CB -0.803 41.118 42.059 -0.230 0.000 0.896 363 L HN 0.356 nan 8.230 nan 0.000 0.432 364 A N -0.817 121.915 122.820 -0.147 0.000 2.015 364 A HA -0.032 4.287 4.320 -0.001 0.000 0.219 364 A C 2.371 179.912 177.584 -0.072 0.000 1.163 364 A CA 1.427 53.393 52.037 -0.118 0.000 0.646 364 A CB -0.947 17.994 19.000 -0.099 0.000 0.806 364 A HN 0.531 nan 8.150 nan 0.000 0.448 365 A N -0.797 121.988 122.820 -0.058 0.000 2.066 365 A HA 0.340 4.659 4.320 -0.001 0.000 0.218 365 A C 2.120 179.686 177.584 -0.030 0.000 1.157 365 A CA 1.591 53.607 52.037 -0.036 0.000 0.670 365 A CB -0.431 18.552 19.000 -0.028 0.000 0.804 365 A HN 0.983 nan 8.150 nan 0.000 0.453 366 A N -1.569 121.227 122.820 -0.040 0.000 2.252 366 A HA 0.294 4.613 4.320 -0.001 0.000 0.213 366 A C 0.413 177.984 177.584 -0.022 0.000 1.188 366 A CA 0.643 52.663 52.037 -0.027 0.000 0.863 366 A CB 0.274 19.258 19.000 -0.027 0.000 0.893 366 A HN 0.286 nan 8.150 nan 0.000 0.495 367 D N -0.351 120.026 120.400 -0.039 0.000 2.358 367 D HA 0.299 4.938 4.640 -0.001 0.000 0.253 367 D C -2.507 173.782 176.300 -0.017 0.000 1.288 367 D CA -1.676 52.311 54.000 -0.022 0.000 0.950 367 D CB 1.757 42.530 40.800 -0.045 0.000 1.197 367 D HN -0.026 nan 8.370 nan 0.000 0.550 368 P HA 0.068 nan 4.420 nan 0.000 0.242 368 P C 0.865 178.187 177.300 0.037 0.000 1.197 368 P CA 0.143 63.253 63.100 0.018 0.000 0.765 368 P CB 0.223 31.936 31.700 0.022 0.000 0.936 369 R N -0.373 120.159 120.500 0.053 0.000 2.276 369 R HA 0.149 4.488 4.340 -0.001 0.000 0.203 369 R C 0.912 177.258 176.300 0.077 0.000 1.017 369 R CA 0.300 56.451 56.100 0.085 0.000 1.010 369 R CB -0.250 30.132 30.300 0.136 0.000 0.900 369 R HN 0.266 nan 8.270 nan 0.000 0.469 370 I N 0.974 121.553 120.570 0.015 0.000 2.322 370 I HA 0.055 4.224 4.170 -0.001 0.000 0.292 370 I C 1.346 177.435 176.117 -0.047 0.000 1.060 370 I CA -0.122 61.155 61.300 -0.039 0.000 1.309 370 I CB 1.596 39.517 38.000 -0.132 0.000 1.415 370 I HN 0.169 nan 8.210 nan 0.000 0.492 371 G N 5.207 113.964 108.800 -0.071 0.000 2.453 371 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.215 371 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.215 371 G C 0.428 175.116 174.900 -0.354 0.000 1.147 371 G CA 0.292 45.334 45.100 -0.096 0.000 0.802 371 G HN 0.632 nan 8.290 nan 0.000 0.535 372 E N -0.972 118.976 120.200 -0.421 0.000 2.380 372 E HA 0.415 4.764 4.350 -0.001 0.000 0.281 372 E C -1.836 174.638 176.600 -0.209 0.000 0.999 372 E CA -0.640 55.531 56.400 -0.382 0.000 0.800 372 E CB 2.260 31.547 29.700 -0.688 0.000 1.228 372 E HN -0.094 nan 8.360 nan 0.000 0.436 373 V N 3.614 123.456 119.914 -0.121 0.000 2.459 373 V HA 0.683 4.803 4.120 -0.001 0.000 0.295 373 V C -0.121 175.954 176.094 -0.031 0.000 1.029 373 V CA -0.518 61.751 62.300 -0.052 0.000 0.874 373 V CB 1.135 32.939 31.823 -0.031 0.000 0.985 373 V HN 0.715 nan 8.190 nan 0.000 0.438 374 R N 2.806 123.309 120.500 0.006 0.000 2.781 374 R HA 0.934 5.273 4.340 -0.001 0.000 0.269 374 R C -0.123 176.215 176.300 0.065 0.000 1.025 374 R CA -0.257 55.856 56.100 0.020 0.000 0.914 374 R CB 2.071 32.376 30.300 0.007 0.000 1.236 374 R HN 1.408 nan 8.270 nan 0.000 0.465 375 G N 0.447 109.263 108.800 0.027 0.000 2.408 375 G HA2 0.076 4.035 3.960 -0.001 0.000 0.682 375 G HA3 0.076 4.035 3.960 -0.001 0.000 0.682 375 G C -1.520 173.349 174.900 -0.052 0.000 1.303 375 G CA -0.886 44.216 45.100 0.004 0.000 0.966 375 G HN 0.630 nan 8.290 nan 0.000 0.560 376 R N -0.618 119.823 120.500 -0.099 0.000 2.707 376 R HA 0.634 4.973 4.340 -0.001 0.000 0.272 376 R C 0.871 177.107 176.300 -0.107 0.000 1.011 376 R CA 0.120 56.144 56.100 -0.128 0.000 0.893 376 R CB 1.677 31.837 30.300 -0.234 0.000 1.233 376 R HN 2.497 nan 8.270 nan 0.000 0.464 377 G N 1.303 110.051 108.800 -0.086 0.000 2.622 377 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.307 377 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.307 377 G C 0.142 175.005 174.900 -0.062 0.000 1.226 377 G CA 0.399 45.454 45.100 -0.075 0.000 0.997 377 G HN 0.757 nan 8.290 nan 0.000 0.551 378 A N -0.562 122.219 122.820 -0.066 0.000 2.833 378 A HA 0.706 5.026 4.320 -0.001 0.000 0.293 378 A C 0.552 178.127 177.584 -0.015 0.000 1.338 378 A CA 1.013 53.021 52.037 -0.049 0.000 0.959 378 A CB -0.257 18.704 19.000 -0.064 0.000 1.094 378 A HN 1.046 nan 8.150 nan 0.000 0.569 379 M N 1.543 121.129 119.600 -0.025 0.000 1.956 379 M HA 0.422 4.902 4.480 -0.001 0.000 0.256 379 M C -2.172 174.197 176.300 0.114 0.000 0.869 379 M CA -0.239 55.029 55.300 -0.052 0.000 0.886 379 M CB 0.413 32.789 32.600 -0.372 0.000 1.739 379 M HN 0.103 nan 8.290 nan 0.000 0.381 380 I N 2.226 123.032 120.570 0.395 0.000 2.689 380 I HA 0.867 5.037 4.170 -0.001 0.000 0.299 380 I C -0.424 175.937 176.117 0.407 0.000 1.059 380 I CA -0.620 60.896 61.300 0.359 0.000 1.055 380 I CB 1.887 40.043 38.000 0.259 0.000 1.243 380 I HN 0.670 nan 8.210 nan 0.000 0.425 381 A N 4.317 127.283 122.820 0.244 0.000 2.587 381 A HA 0.846 5.165 4.320 -0.001 0.000 0.293 381 A C -1.200 176.399 177.584 0.025 0.000 1.087 381 A CA -0.584 51.423 52.037 -0.049 0.000 0.692 381 A CB 2.072 20.946 19.000 -0.210 0.000 1.291 381 A HN 0.642 nan 8.150 nan 0.000 0.407 382 V N -1.030 118.861 119.914 -0.038 0.000 2.540 382 V HA 0.777 4.896 4.120 -0.001 0.000 0.302 382 V C -0.440 175.618 176.094 -0.061 0.000 1.035 382 V CA -0.567 61.729 62.300 -0.008 0.000 0.873 382 V CB 1.398 33.274 31.823 0.089 0.000 0.992 382 V HN 0.985 nan 8.190 nan 0.000 0.428 383 E N 4.239 124.382 120.200 -0.095 0.000 2.156 383 E HA 0.582 4.931 4.350 -0.001 0.000 0.279 383 E C -1.233 175.350 176.600 -0.029 0.000 0.965 383 E CA -0.715 55.643 56.400 -0.069 0.000 0.789 383 E CB 1.508 31.143 29.700 -0.108 0.000 1.098 383 E HN 0.832 nan 8.360 nan 0.000 0.397 384 L N 5.470 126.720 121.223 0.044 0.000 2.295 384 L HA 0.539 4.879 4.340 -0.001 0.000 0.285 384 L C -0.125 176.799 176.870 0.091 0.000 1.035 384 L CA -0.854 54.035 54.840 0.082 0.000 0.806 384 L CB 1.219 43.342 42.059 0.107 0.000 1.214 384 L HN 0.453 nan 8.230 nan 0.000 0.426 385 V N -0.158 119.814 119.914 0.096 0.000 3.160 385 V HA 0.568 4.688 4.120 -0.001 0.000 0.310 385 V C -0.654 175.483 176.094 0.071 0.000 1.181 385 V CA -1.267 61.091 62.300 0.096 0.000 1.047 385 V CB 2.095 34.010 31.823 0.153 0.000 1.068 385 V HN 0.516 nan 8.190 nan 0.000 0.441 386 K N 2.259 122.689 120.400 0.049 0.000 2.368 386 K HA 0.380 4.699 4.320 -0.001 0.000 0.282 386 K C -2.605 174.019 176.600 0.041 0.000 1.035 386 K CA -1.812 54.496 56.287 0.035 0.000 0.973 386 K CB 0.347 32.857 32.500 0.016 0.000 0.957 386 K HN 0.576 nan 8.250 nan 0.000 0.474 387 P HA -0.027 nan 4.420 nan 0.000 0.264 387 P C 0.647 177.966 177.300 0.031 0.000 1.193 387 P CA 0.497 63.621 63.100 0.039 0.000 0.763 387 P CB 0.380 32.100 31.700 0.033 0.000 0.810 388 G N 1.549 110.372 108.800 0.037 0.000 2.148 388 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.254 388 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.254 388 G C 0.235 175.143 174.900 0.014 0.000 0.981 388 G CA 0.518 45.633 45.100 0.026 0.000 0.670 388 G HN 0.920 nan 8.290 nan 0.000 0.528 389 T N -4.568 109.998 114.554 0.020 0.000 2.696 389 T HA 0.699 5.048 4.350 -0.001 0.000 0.291 389 T C 0.836 175.529 174.700 -0.011 0.000 1.095 389 T CA 0.886 62.976 62.100 -0.016 0.000 1.026 389 T CB 1.496 70.349 68.868 -0.024 0.000 1.390 389 T HN 1.040 nan 8.240 nan 0.000 0.513 390 T N -2.168 112.325 114.554 -0.101 0.000 3.129 390 T HA 0.331 4.680 4.350 -0.001 0.000 0.267 390 T C 0.002 174.632 174.700 -0.117 0.000 1.018 390 T CA -0.438 61.564 62.100 -0.162 0.000 0.903 390 T CB -0.494 68.101 68.868 -0.454 0.000 1.067 390 T HN 0.711 nan 8.240 nan 0.000 0.549 391 E N 3.510 123.665 120.200 -0.075 0.000 2.351 391 E HA 0.217 4.566 4.350 -0.001 0.000 0.266 391 E C -2.530 174.048 176.600 -0.037 0.000 1.031 391 E CA -1.887 54.466 56.400 -0.079 0.000 0.911 391 E CB 0.322 29.991 29.700 -0.051 0.000 0.986 391 E HN 0.309 nan 8.360 nan 0.000 0.446 392 P HA -0.026 nan 4.420 nan 0.000 0.268 392 P C -0.632 176.689 177.300 0.034 0.000 1.205 392 P CA 0.059 63.163 63.100 0.005 0.000 0.771 392 P CB 0.515 32.219 31.700 0.007 0.000 0.858 393 D N 1.923 122.356 120.400 0.055 0.000 2.483 393 D HA 0.332 4.971 4.640 -0.001 0.000 0.281 393 D C 0.996 177.319 176.300 0.039 0.000 1.174 393 D CA -0.570 53.455 54.000 0.042 0.000 0.938 393 D CB 0.297 41.122 40.800 0.041 0.000 1.002 393 D HN 0.202 nan 8.370 nan 0.000 0.501 394 A N 2.535 125.380 122.820 0.042 0.000 1.930 394 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 394 A C 1.841 179.427 177.584 0.002 0.000 1.175 394 A CA 1.492 53.547 52.037 0.030 0.000 0.627 394 A CB -0.189 18.837 19.000 0.043 0.000 0.815 394 A HN 0.497 nan 8.150 nan 0.000 0.443 395 D N -0.320 120.079 120.400 -0.000 0.000 2.104 395 D HA -0.182 4.457 4.640 -0.001 0.000 0.194 395 D C 1.763 178.043 176.300 -0.033 0.000 0.994 395 D CA 1.541 55.531 54.000 -0.016 0.000 0.830 395 D CB -0.232 40.561 40.800 -0.012 0.000 0.959 395 D HN 0.257 nan 8.370 nan 0.000 0.452 396 L N 0.152 121.358 121.223 -0.029 0.000 2.083 396 L HA -0.082 4.257 4.340 -0.001 0.000 0.209 396 L C 2.159 178.978 176.870 -0.086 0.000 1.083 396 L CA 1.951 56.758 54.840 -0.054 0.000 0.752 396 L CB -1.030 41.015 42.059 -0.024 0.000 0.899 396 L HN 0.043 nan 8.230 nan 0.000 0.433 397 T N -0.519 114.004 114.554 -0.052 0.000 2.777 397 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 397 T C 1.868 176.512 174.700 -0.094 0.000 1.040 397 T CA 1.779 63.840 62.100 -0.064 0.000 1.141 397 T CB -0.134 68.716 68.868 -0.031 0.000 0.868 397 T HN 0.330 nan 8.240 nan 0.000 0.444 398 K N 0.832 121.187 120.400 -0.074 0.000 2.026 398 K HA -0.025 4.295 4.320 -0.001 0.000 0.208 398 K C 2.603 179.136 176.600 -0.112 0.000 1.048 398 K CA 1.198 57.438 56.287 -0.079 0.000 0.929 398 K CB -0.110 32.360 32.500 -0.050 0.000 0.713 398 K HN 0.160 nan 8.250 nan 0.000 0.439 399 R N 0.296 120.730 120.500 -0.110 0.000 2.081 399 R HA -0.083 4.256 4.340 -0.001 0.000 0.235 399 R C 2.272 178.461 176.300 -0.184 0.000 1.131 399 R CA 1.121 57.146 56.100 -0.126 0.000 0.960 399 R CB -0.449 29.788 30.300 -0.105 0.000 0.856 399 R HN -0.014 nan 8.270 nan 0.000 0.436 400 V N 0.899 120.671 119.914 -0.236 0.000 2.343 400 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 400 V C 2.358 178.282 176.094 -0.283 0.000 1.051 400 V CA 2.009 64.113 62.300 -0.326 0.000 1.036 400 V CB -0.727 30.792 31.823 -0.507 0.000 0.654 400 V HN 0.448 nan 8.190 nan 0.000 0.451 401 A N 0.013 122.668 122.820 -0.274 0.000 1.877 401 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 401 A C 2.441 179.616 177.584 -0.682 0.000 1.186 401 A CA 2.142 53.934 52.037 -0.410 0.000 0.620 401 A CB -0.857 17.966 19.000 -0.294 0.000 0.822 401 A HN 0.577 nan 8.150 nan 0.000 0.443 402 A N -0.270 122.317 122.820 -0.387 0.000 1.933 402 A HA 0.143 4.462 4.320 -0.001 0.000 0.218 402 A C 2.477 179.950 177.584 -0.185 0.000 1.175 402 A CA 2.183 54.077 52.037 -0.238 0.000 0.628 402 A CB -0.921 18.020 19.000 -0.098 0.000 0.814 402 A HN 1.044 nan 8.150 nan 0.000 0.444 403 A N -0.280 122.428 122.820 -0.187 0.000 1.897 403 A HA 0.259 4.578 4.320 -0.001 0.000 0.215 403 A C 2.507 180.019 177.584 -0.120 0.000 1.181 403 A CA 1.789 53.748 52.037 -0.129 0.000 0.620 403 A CB -1.023 17.896 19.000 -0.135 0.000 0.821 403 A HN 1.036 nan 8.150 nan 0.000 0.443 404 A N -0.179 122.538 122.820 -0.172 0.000 1.892 404 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 404 A C 1.911 179.474 177.584 -0.035 0.000 1.188 404 A CA 1.915 53.879 52.037 -0.121 0.000 0.631 404 A CB -1.165 17.757 19.000 -0.131 0.000 0.822 404 A HN 0.774 nan 8.150 nan 0.000 0.447 405 H N -0.808 118.233 119.070 -0.048 0.000 2.353 405 H HA 0.015 4.571 4.556 -0.001 0.000 0.300 405 H C 2.466 177.770 175.328 -0.039 0.000 1.090 405 H CA 0.697 56.719 56.048 -0.042 0.000 1.327 405 H CB -0.059 29.682 29.762 -0.035 0.000 1.383 405 H HN 0.566 nan 8.280 nan 0.000 0.508 406 A N 0.952 123.818 122.820 0.077 0.000 2.024 406 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 406 A C 1.888 179.478 177.584 0.008 0.000 1.164 406 A CA 1.470 53.525 52.037 0.029 0.000 0.643 406 A CB -0.200 18.801 19.000 0.002 0.000 0.806 406 A HN 0.498 nan 8.150 nan 0.000 0.451 407 Q N -1.588 118.210 119.800 -0.004 0.000 2.246 407 Q HA 0.320 4.659 4.340 -0.001 0.000 0.202 407 Q C 0.712 176.700 176.000 -0.021 0.000 0.883 407 Q CA 0.214 56.006 55.803 -0.018 0.000 0.952 407 Q CB 0.322 29.040 28.738 -0.033 0.000 1.078 407 Q HN 0.834 nan 8.270 nan 0.000 0.493 408 G N 1.773 110.571 108.800 -0.003 0.000 2.171 408 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.238 408 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.238 408 G C -0.624 174.251 174.900 -0.041 0.000 1.039 408 G CA -0.057 45.035 45.100 -0.014 0.000 0.759 408 G HN 0.264 nan 8.290 nan 0.000 0.501 409 L N 0.658 121.861 121.223 -0.033 0.000 2.343 409 L HA 0.718 5.057 4.340 -0.001 0.000 0.278 409 L C 0.114 177.014 176.870 0.051 0.000 0.996 409 L CA -1.052 53.727 54.840 -0.100 0.000 0.831 409 L CB 2.117 44.045 42.059 -0.218 0.000 1.232 409 L HN 0.096 nan 8.230 nan 0.000 0.413 410 V N 6.543 126.484 119.914 0.043 0.000 2.313 410 V HA 0.279 4.398 4.120 -0.001 0.000 0.252 410 V C 0.192 176.405 176.094 0.199 0.000 1.112 410 V CA -0.280 62.083 62.300 0.105 0.000 0.984 410 V CB 0.470 32.307 31.823 0.023 0.000 1.157 410 V HN 0.592 nan 8.190 nan 0.000 0.493 411 V N 4.124 124.213 119.914 0.292 0.000 2.630 411 V HA 0.721 4.841 4.120 -0.001 0.000 0.305 411 V C -0.353 175.875 176.094 0.222 0.000 1.046 411 V CA -0.774 61.681 62.300 0.258 0.000 0.934 411 V CB 1.921 33.881 31.823 0.228 0.000 1.003 411 V HN 0.502 nan 8.190 nan 0.000 0.451 412 L N 3.097 124.362 121.223 0.070 0.000 2.313 412 L HA 0.860 5.200 4.340 -0.001 0.000 0.268 412 L C 0.368 177.168 176.870 -0.118 0.000 1.010 412 L CA -0.416 54.426 54.840 0.004 0.000 0.814 412 L CB 2.446 44.494 42.059 -0.018 0.000 1.304 412 L HN 1.026 nan 8.230 nan 0.000 0.441 413 T N -2.170 112.322 114.554 -0.103 0.000 2.916 413 T HA 0.775 5.124 4.350 -0.001 0.000 0.292 413 T C -0.441 174.176 174.700 -0.140 0.000 1.064 413 T CA -0.681 61.330 62.100 -0.148 0.000 1.011 413 T CB 1.936 70.748 68.868 -0.094 0.000 1.152 413 T HN 0.986 nan 8.240 nan 0.000 0.510 414 C N -1.431 117.777 119.300 -0.153 0.000 3.266 414 C HA 1.028 5.488 4.460 -0.001 0.000 0.369 414 C C 0.228 175.177 174.990 -0.069 0.000 1.580 414 C CA -0.127 58.826 59.018 -0.109 0.000 1.165 414 C CB 0.602 28.251 27.740 -0.150 0.000 1.835 414 C HN 2.469 nan 8.230 nan 0.000 0.433 415 G N -0.106 108.679 108.800 -0.025 0.000 2.742 415 G HA2 0.307 4.266 3.960 -0.001 0.000 0.686 415 G HA3 0.307 4.266 3.960 -0.001 0.000 0.686 415 G C -0.099 174.810 174.900 0.015 0.000 1.220 415 G CA 0.176 45.284 45.100 0.014 0.000 0.783 415 G HN 1.558 nan 8.290 nan 0.000 0.646 416 T N 0.853 115.403 114.554 -0.007 0.000 2.737 416 T HA -0.158 4.192 4.350 -0.001 0.000 0.269 416 T C 1.713 176.192 174.700 -0.368 0.000 1.040 416 T CA 2.666 64.659 62.100 -0.179 0.000 1.142 416 T CB -0.208 68.531 68.868 -0.216 0.000 0.861 416 T HN 0.519 nan 8.240 nan 0.000 0.456 417 Y N 0.263 120.638 120.300 0.124 0.000 2.468 417 Y HA 0.433 4.982 4.550 -0.001 0.000 0.268 417 Y C 1.838 177.765 175.900 0.046 0.000 1.177 417 Y CA -0.419 57.732 58.100 0.084 0.000 1.265 417 Y CB -0.294 38.226 38.460 0.101 0.000 1.103 417 Y HN 0.280 nan 8.280 nan 0.000 0.522 418 G N 1.402 110.264 108.800 0.103 0.000 2.155 418 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.257 418 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.257 418 G C 0.613 175.543 174.900 0.050 0.000 0.983 418 G CA 0.593 45.724 45.100 0.050 0.000 0.676 418 G HN 0.525 nan 8.290 nan 0.000 0.528 419 N N -0.481 118.275 118.700 0.093 0.000 2.275 419 N HA 0.313 5.052 4.740 -0.001 0.000 0.236 419 N C -0.213 175.315 175.510 0.030 0.000 1.154 419 N CA 0.097 53.191 53.050 0.073 0.000 0.866 419 N CB 0.786 39.345 38.487 0.121 0.000 1.093 419 N HN 0.283 nan 8.380 nan 0.000 0.515 420 V N 1.368 121.265 119.914 -0.029 0.000 2.448 420 V HA 0.370 4.489 4.120 -0.001 0.000 0.295 420 V C -0.563 175.400 176.094 -0.217 0.000 1.025 420 V CA -0.950 61.281 62.300 -0.116 0.000 0.859 420 V CB 1.938 33.669 31.823 -0.154 0.000 0.988 420 V HN 0.137 nan 8.190 nan 0.000 0.431 421 L N 6.969 128.038 121.223 -0.257 0.000 2.257 421 L HA 0.582 4.922 4.340 -0.001 0.000 0.290 421 L C 0.362 176.720 176.870 -0.853 0.000 1.044 421 L CA 0.120 54.712 54.840 -0.414 0.000 0.810 421 L CB 0.743 42.681 42.059 -0.201 0.000 1.193 421 L HN 0.783 nan 8.230 nan 0.000 0.425 422 R N 3.144 123.076 120.500 -0.946 0.000 2.604 422 R HA 0.727 5.066 4.340 -0.001 0.000 0.287 422 R C -1.570 174.145 176.300 -0.974 0.000 0.970 422 R CA -0.609 54.803 56.100 -1.147 0.000 0.946 422 R CB 1.180 30.668 30.300 -1.353 0.000 1.127 422 R HN 0.300 nan 8.270 nan 0.000 0.473 423 F N 2.357 122.301 119.950 -0.010 0.000 2.499 423 F HA 0.420 4.946 4.527 -0.001 0.000 0.333 423 F C -0.457 175.407 175.800 0.107 0.000 1.138 423 F CA -1.021 57.021 58.000 0.070 0.000 0.945 423 F CB 1.831 40.844 39.000 0.022 0.000 1.181 423 F HN 0.296 nan 8.300 nan 0.000 0.435 424 L N 5.687 127.044 121.223 0.222 0.000 2.637 424 L HA 0.340 4.680 4.340 -0.001 0.000 0.241 424 L C -2.475 174.426 176.870 0.052 0.000 1.398 424 L CA -1.703 53.221 54.840 0.141 0.000 0.895 424 L CB 0.836 42.995 42.059 0.166 0.000 1.183 424 L HN 0.261 nan 8.230 nan 0.000 0.497 425 P HA 0.182 nan 4.420 nan 0.000 0.272 425 P C -2.572 174.695 177.300 -0.056 0.000 1.223 425 P CA -1.270 61.751 63.100 -0.132 0.000 0.784 425 P CB 0.064 31.527 31.700 -0.395 0.000 0.923 426 P HA 0.142 nan 4.420 nan 0.000 0.272 426 P C 0.987 178.264 177.300 -0.038 0.000 1.230 426 P CA -0.108 62.981 63.100 -0.018 0.000 0.788 426 P CB 0.844 32.544 31.700 -0.000 0.000 0.949 427 L N 1.127 122.329 121.223 -0.035 0.000 2.376 427 L HA -0.095 4.244 4.340 -0.001 0.000 0.219 427 L C 2.135 178.987 176.870 -0.030 0.000 1.133 427 L CA 1.348 56.164 54.840 -0.039 0.000 0.816 427 L CB -0.837 41.200 42.059 -0.037 0.000 0.933 427 L HN 0.426 nan 8.230 nan 0.000 0.449 428 S N -0.787 114.900 115.700 -0.022 0.000 2.660 428 S HA -0.019 4.450 4.470 -0.001 0.000 0.223 428 S C 0.837 175.431 174.600 -0.010 0.000 0.963 428 S CA -0.272 57.920 58.200 -0.013 0.000 0.932 428 S CB -0.469 62.725 63.200 -0.009 0.000 0.775 428 S HN 0.262 nan 8.310 nan 0.000 0.531 429 M N 3.702 123.290 119.600 -0.019 0.000 2.356 429 M HA 0.306 4.785 4.480 -0.001 0.000 0.348 429 M C -2.778 173.506 176.300 -0.027 0.000 1.595 429 M CA -2.374 52.914 55.300 -0.019 0.000 1.095 429 M CB -0.136 32.442 32.600 -0.036 0.000 1.963 429 M HN -0.089 nan 8.290 nan 0.000 0.459 430 P HA 0.067 nan 4.420 nan 0.000 0.269 430 P C -0.120 177.154 177.300 -0.044 0.000 1.209 430 P CA -0.087 63.003 63.100 -0.017 0.000 0.776 430 P CB 0.545 32.242 31.700 -0.006 0.000 0.876 431 D N 0.769 121.184 120.400 0.026 0.000 2.158 431 D HA -0.210 4.429 4.640 -0.001 0.000 0.197 431 D C 1.681 178.001 176.300 0.034 0.000 0.995 431 D CA 1.547 55.563 54.000 0.027 0.000 0.846 431 D CB -0.470 40.359 40.800 0.049 0.000 0.941 431 D HN 0.650 nan 8.370 nan 0.000 0.456 432 H N 0.337 119.421 119.070 0.023 0.000 2.428 432 H HA 0.023 4.578 4.556 -0.001 0.000 0.296 432 H C 2.238 177.589 175.328 0.038 0.000 1.062 432 H CA 0.566 56.628 56.048 0.024 0.000 1.350 432 H CB -0.620 29.151 29.762 0.015 0.000 1.403 432 H HN 0.171 nan 8.280 nan 0.000 0.533 433 L N 0.120 121.013 121.223 -0.550 0.000 2.179 433 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 433 L C 2.753 179.626 176.870 0.004 0.000 1.096 433 L CA 0.295 54.962 54.840 -0.288 0.000 0.779 433 L CB -0.269 41.601 42.059 -0.315 0.000 0.922 433 L HN 0.163 nan 8.230 nan 0.000 0.443 434 L N 0.305 121.551 121.223 0.038 0.000 2.013 434 L HA -0.270 4.069 4.340 -0.001 0.000 0.212 434 L C 2.034 178.993 176.870 0.149 0.000 1.073 434 L CA 1.989 56.913 54.840 0.139 0.000 0.753 434 L CB -0.633 41.423 42.059 -0.004 0.000 0.890 434 L HN 0.220 nan 8.230 nan 0.000 0.432 435 D N -0.632 119.804 120.400 0.060 0.000 2.097 435 D HA -0.232 4.408 4.640 -0.001 0.000 0.195 435 D C 2.093 178.416 176.300 0.038 0.000 0.989 435 D CA 1.532 55.559 54.000 0.046 0.000 0.827 435 D CB -0.081 40.744 40.800 0.042 0.000 0.966 435 D HN 0.572 nan 8.370 nan 0.000 0.456 436 E N 0.237 120.452 120.200 0.024 0.000 2.106 436 E HA -0.108 4.241 4.350 -0.001 0.000 0.192 436 E C 2.136 178.699 176.600 -0.060 0.000 0.984 436 E CA 1.080 57.475 56.400 -0.007 0.000 0.806 436 E CB -0.191 29.504 29.700 -0.009 0.000 0.750 436 E HN 0.252 nan 8.360 nan 0.000 0.458 437 G N 1.183 109.931 108.800 -0.088 0.000 2.421 437 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.216 437 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.216 437 G C 1.552 176.354 174.900 -0.163 0.000 1.171 437 G CA 0.799 45.685 45.100 -0.357 0.000 0.775 437 G HN 0.195 nan 8.290 nan 0.000 0.543 438 L N 0.445 121.693 121.223 0.042 0.000 2.046 438 L HA -0.042 4.297 4.340 -0.001 0.000 0.208 438 L C 2.524 179.384 176.870 -0.017 0.000 1.077 438 L CA 1.129 55.973 54.840 0.007 0.000 0.747 438 L CB -0.388 41.673 42.059 0.004 0.000 0.896 438 L HN 0.058 nan 8.230 nan 0.000 0.432 439 D N 0.334 120.727 120.400 -0.012 0.000 2.133 439 D HA -0.191 4.449 4.640 -0.001 0.000 0.195 439 D C 2.257 178.550 176.300 -0.013 0.000 0.997 439 D CA 1.395 55.390 54.000 -0.009 0.000 0.840 439 D CB -0.124 40.673 40.800 -0.005 0.000 0.947 439 D HN 0.327 nan 8.370 nan 0.000 0.452 440 I N 0.244 120.789 120.570 -0.042 0.000 2.252 440 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 440 I C 2.330 178.442 176.117 -0.009 0.000 1.102 440 I CA 0.576 61.847 61.300 -0.048 0.000 1.385 440 I CB -0.093 37.845 38.000 -0.104 0.000 1.064 440 I HN -0.022 nan 8.210 nan 0.000 0.414 441 L N 0.436 121.665 121.223 0.010 0.000 2.017 441 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 441 L C 2.868 179.876 176.870 0.231 0.000 1.073 441 L CA 1.476 56.397 54.840 0.135 0.000 0.745 441 L CB -0.810 41.334 42.059 0.142 0.000 0.894 441 L HN 0.222 nan 8.230 nan 0.000 0.432 442 A N 0.069 122.961 122.820 0.119 0.000 1.883 442 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 442 A C 2.507 180.165 177.584 0.123 0.000 1.186 442 A CA 2.014 54.116 52.037 0.108 0.000 0.624 442 A CB -0.865 18.152 19.000 0.029 0.000 0.822 442 A HN 0.416 nan 8.150 nan 0.000 0.444 443 A N -0.875 121.987 122.820 0.070 0.000 1.969 443 A HA 0.072 4.391 4.320 -0.001 0.000 0.218 443 A C 2.205 179.814 177.584 0.040 0.000 1.169 443 A CA 1.620 53.684 52.037 0.045 0.000 0.635 443 A CB -0.747 18.262 19.000 0.016 0.000 0.810 443 A HN 0.371 nan 8.150 nan 0.000 0.445 444 V N -1.363 118.571 119.914 0.035 0.000 2.358 444 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 444 V C 2.252 178.297 176.094 -0.081 0.000 1.047 444 V CA 1.891 64.164 62.300 -0.046 0.000 1.035 444 V CB -0.910 30.850 31.823 -0.105 0.000 0.658 444 V HN 0.575 nan 8.190 nan 0.000 0.452 445 F N 0.751 120.694 119.950 -0.012 0.000 2.134 445 F HA -0.167 4.360 4.527 -0.001 0.000 0.299 445 F C 2.433 178.228 175.800 -0.008 0.000 1.097 445 F CA 1.540 59.536 58.000 -0.007 0.000 1.264 445 F CB -0.756 38.244 39.000 -0.000 0.000 1.001 445 F HN 0.101 nan 8.300 nan 0.000 0.479 446 A N -0.347 122.571 122.820 0.163 0.000 1.933 446 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 446 A C 2.059 179.666 177.584 0.038 0.000 1.175 446 A CA 1.983 54.070 52.037 0.084 0.000 0.628 446 A CB -0.671 18.365 19.000 0.060 0.000 0.814 446 A HN 0.436 nan 8.150 nan 0.000 0.444 447 E N -0.750 119.457 120.200 0.012 0.000 2.051 447 E HA 0.040 4.389 4.350 -0.001 0.000 0.189 447 E C -0.137 176.444 176.600 -0.032 0.000 0.979 447 E CA 0.614 57.006 56.400 -0.014 0.000 0.803 447 E CB 0.049 29.733 29.700 -0.027 0.000 0.761 447 E HN 0.316 nan 8.360 nan 0.000 0.451 448 V N 3.059 122.934 119.914 -0.065 0.000 2.385 448 V HA 0.110 4.230 4.120 -0.001 0.000 0.269 448 V C 0.219 176.276 176.094 -0.062 0.000 1.043 448 V CA -0.427 61.819 62.300 -0.089 0.000 0.906 448 V CB 0.994 32.717 31.823 -0.166 0.000 0.995 448 V HN 0.073 nan 8.190 nan 0.000 0.467 449 K N 0.000 120.378 120.400 -0.037 0.000 2.780 449 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 449 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 449 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543