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 3d2r_1_B DATA FIRST_RESID 20 DATA SEQUENCE VPREVEHFSR YSPSPLSMKQ LLDFGSENAC ERTSFAFLRQ ELPVRLANIL DATA SEQUENCE KEIDILPTQL VNTSSVQLVK SWYIQSLMDL VEFHEKSPDD QKALSDFVDT DATA SEQUENCE LIKVRNRHHN VVPTMAQGII EYKXACTVDP VTNQNLQYFL DRFYMNRIST DATA SEQUENCE RMLMNQHILI FSDSQTGNPS HIGSIDPNCD VVAVVQDAFE CSRMLCDQYY DATA SEQUENCE LSSPELKLTQ VNGKFPDQPI HIVYVPSHLH HMLFELFKNA MRATVEHQEN DATA SEQUENCE QPSLTPIEVI VVLGKEDLTI KISDRGGGVP LRIIDRLFSY TYSTAPTPXX DATA SEQUENCE XXXXXXPLAG FGYGLPISRL YAKYFQGDLN LYSLSGYGTD AIIYLKALSS DATA SEQUENCE ESIEKLPVFN KSAFKHYXXX XXXXDWCI 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 20 V HA 0.000 nan 4.120 nan 0.000 0.244 20 V C 0.000 176.118 176.094 0.039 0.000 1.182 20 V CA 0.000 62.314 62.300 0.023 0.000 1.235 20 V CB 0.000 31.837 31.823 0.024 0.000 1.184 21 P HA 0.350 nan 4.420 nan 0.000 0.268 21 P C 0.909 178.258 177.300 0.081 0.000 1.208 21 P CA -0.288 62.849 63.100 0.061 0.000 0.777 21 P CB 0.811 32.553 31.700 0.070 0.000 0.875 22 R N 0.882 121.428 120.500 0.076 0.000 2.096 22 R HA -0.170 4.174 4.340 0.007 0.000 0.235 22 R C 1.691 178.077 176.300 0.144 0.000 1.127 22 R CA 1.479 57.630 56.100 0.085 0.000 0.968 22 R CB -0.218 30.114 30.300 0.054 0.000 0.861 22 R HN 0.565 nan 8.270 nan 0.000 0.440 23 E N 0.015 120.324 120.200 0.181 0.000 2.106 23 E HA -0.123 4.231 4.350 0.007 0.000 0.192 23 E C 1.973 178.818 176.600 0.407 0.000 0.984 23 E CA 0.988 57.588 56.400 0.333 0.000 0.806 23 E CB -0.040 29.837 29.700 0.294 0.000 0.750 23 E HN 0.055 nan 8.360 nan 0.000 0.458 24 V N 0.851 120.914 119.914 0.249 0.000 2.261 24 V HA -0.264 3.860 4.120 0.007 0.000 0.246 24 V C 2.311 178.523 176.094 0.196 0.000 1.047 24 V CA 2.028 64.457 62.300 0.214 0.000 1.015 24 V CB -0.469 31.433 31.823 0.131 0.000 0.642 24 V HN 0.213 nan 8.190 nan 0.000 0.446 25 E N 0.013 120.303 120.200 0.151 0.000 2.058 25 E HA -0.287 4.068 4.350 0.007 0.000 0.194 25 E C 2.092 178.761 176.600 0.116 0.000 0.997 25 E CA 2.100 58.571 56.400 0.118 0.000 0.801 25 E CB -0.419 29.335 29.700 0.091 0.000 0.746 25 E HN 0.779 nan 8.360 nan 0.000 0.450 26 H N -1.012 118.077 119.070 0.031 0.000 2.267 26 H HA -0.120 4.440 4.556 0.007 0.000 0.297 26 H C 1.613 176.892 175.328 -0.082 0.000 1.080 26 H CA 2.377 58.367 56.048 -0.097 0.000 1.278 26 H CB -0.611 29.016 29.762 -0.225 0.000 1.365 26 H HN 0.261 nan 8.280 nan 0.000 0.489 27 F N 0.352 120.368 119.950 0.109 0.000 2.546 27 F HA -0.091 4.440 4.527 0.007 0.000 0.298 27 F C 2.720 178.614 175.800 0.157 0.000 1.120 27 F CA 0.931 59.025 58.000 0.157 0.000 1.456 27 F CB -0.236 38.864 39.000 0.165 0.000 1.088 27 F HN 0.322 nan 8.300 nan 0.000 0.572 28 S N 0.260 116.088 115.700 0.214 0.000 2.489 28 S HA -0.091 4.383 4.470 0.007 0.000 0.228 28 S C 1.811 176.491 174.600 0.135 0.000 0.995 28 S CA 0.196 58.513 58.200 0.195 0.000 0.934 28 S CB -0.398 62.907 63.200 0.176 0.000 0.771 28 S HN 0.396 nan 8.310 nan 0.000 0.522 29 R N -0.377 120.101 120.500 -0.037 0.000 2.280 29 R HA 0.140 4.484 4.340 0.007 0.000 0.207 29 R C -0.229 175.928 176.300 -0.239 0.000 1.043 29 R CA 0.473 56.465 56.100 -0.180 0.000 1.006 29 R CB -0.252 29.834 30.300 -0.355 0.000 0.885 29 R HN 0.490 nan 8.270 nan 0.000 0.467 30 Y N 0.490 120.774 120.300 -0.026 0.000 2.354 30 Y HA 0.150 4.705 4.550 0.007 0.000 0.322 30 Y C 0.921 176.850 175.900 0.047 0.000 1.253 30 Y CA -0.902 57.199 58.100 0.002 0.000 1.272 30 Y CB 1.099 39.567 38.460 0.013 0.000 1.255 30 Y HN -0.096 nan 8.280 nan 0.000 0.500 31 S N 1.597 117.427 115.700 0.216 0.000 2.585 31 S HA 0.512 4.987 4.470 0.007 0.000 0.277 31 S C -2.780 171.911 174.600 0.153 0.000 1.241 31 S CA -1.685 56.611 58.200 0.161 0.000 1.041 31 S CB 1.054 64.324 63.200 0.117 0.000 0.987 31 S HN 0.302 nan 8.310 nan 0.000 0.512 32 P HA 0.194 nan 4.420 nan 0.000 0.268 32 P C -0.813 176.560 177.300 0.123 0.000 1.208 32 P CA -0.163 63.001 63.100 0.106 0.000 0.777 32 P CB 0.341 32.099 31.700 0.097 0.000 0.875 33 S N 3.316 119.106 115.700 0.149 0.000 2.461 33 S HA 0.397 4.871 4.470 0.007 0.000 0.322 33 S C -2.356 172.393 174.600 0.249 0.000 1.063 33 S CA -1.126 57.200 58.200 0.211 0.000 1.120 33 S CB 0.469 63.852 63.200 0.306 0.000 0.968 33 S HN 0.353 nan 8.310 nan 0.000 0.467 34 P HA 0.338 nan 4.420 nan 0.000 0.279 34 P C -0.829 176.540 177.300 0.115 0.000 1.239 34 P CA -0.461 62.724 63.100 0.141 0.000 0.789 34 P CB 0.702 32.454 31.700 0.086 0.000 0.933 35 L N 1.596 122.889 121.223 0.117 0.000 2.344 35 L HA 0.449 4.793 4.340 0.007 0.000 0.272 35 L C 1.193 178.098 176.870 0.060 0.000 1.035 35 L CA -0.752 54.110 54.840 0.037 0.000 0.807 35 L CB 1.532 43.601 42.059 0.017 0.000 1.237 35 L HN 0.441 nan 8.230 nan 0.000 0.442 36 S N 0.746 116.436 115.700 -0.017 0.000 2.672 36 S HA 0.296 4.770 4.470 0.007 0.000 0.276 36 S C 0.785 175.318 174.600 -0.113 0.000 1.207 36 S CA -0.669 57.512 58.200 -0.032 0.000 1.002 36 S CB 1.400 64.559 63.200 -0.068 0.000 0.998 36 S HN 0.738 nan 8.310 nan 0.000 0.542 37 M N 0.874 120.305 119.600 -0.281 0.000 2.213 37 M HA -0.062 4.422 4.480 0.007 0.000 0.263 37 M C 2.249 178.421 176.300 -0.214 0.000 1.062 37 M CA 1.505 56.581 55.300 -0.373 0.000 1.105 37 M CB -0.339 31.902 32.600 -0.599 0.000 1.385 37 M HN 0.940 nan 8.290 nan 0.000 0.417 38 K N -0.033 120.264 120.400 -0.172 0.000 2.032 38 K HA -0.249 4.075 4.320 0.007 0.000 0.209 38 K C 1.813 178.321 176.600 -0.153 0.000 1.048 38 K CA 1.865 58.072 56.287 -0.133 0.000 0.927 38 K CB -0.054 32.384 32.500 -0.103 0.000 0.712 38 K HN 0.446 nan 8.250 nan 0.000 0.441 39 Q N 0.324 120.009 119.800 -0.192 0.000 2.079 39 Q HA -0.103 4.241 4.340 0.007 0.000 0.200 39 Q C 2.254 178.033 176.000 -0.369 0.000 0.974 39 Q CA 1.511 57.127 55.803 -0.311 0.000 0.840 39 Q CB -0.065 28.455 28.738 -0.364 0.000 0.898 39 Q HN 0.325 nan 8.270 nan 0.000 0.430 40 L N 0.340 121.443 121.223 -0.199 0.000 2.012 40 L HA -0.237 4.107 4.340 0.007 0.000 0.210 40 L C 2.342 179.226 176.870 0.022 0.000 1.073 40 L CA 1.068 55.903 54.840 -0.007 0.000 0.748 40 L CB -0.532 41.565 42.059 0.063 0.000 0.891 40 L HN 0.277 nan 8.230 nan 0.000 0.431 41 L N -0.373 120.819 121.223 -0.052 0.000 2.042 41 L HA -0.253 4.091 4.340 0.007 0.000 0.210 41 L C 2.289 179.152 176.870 -0.012 0.000 1.076 41 L CA 1.229 56.047 54.840 -0.035 0.000 0.749 41 L CB -0.631 41.389 42.059 -0.065 0.000 0.893 41 L HN 0.342 nan 8.230 nan 0.000 0.432 42 D N -0.439 119.927 120.400 -0.058 0.000 2.144 42 D HA -0.173 4.471 4.640 0.007 0.000 0.200 42 D C 2.051 178.390 176.300 0.065 0.000 0.978 42 D CA 0.984 54.959 54.000 -0.041 0.000 0.833 42 D CB -0.206 40.530 40.800 -0.108 0.000 0.961 42 D HN 0.098 nan 8.370 nan 0.000 0.470 43 F N 1.244 121.204 119.950 0.016 0.000 2.087 43 F HA -0.114 4.417 4.527 0.007 0.000 0.299 43 F C 2.488 178.345 175.800 0.095 0.000 1.100 43 F CA 1.438 59.488 58.000 0.082 0.000 1.226 43 F CB -0.977 38.085 39.000 0.104 0.000 0.983 43 F HN 0.025 nan 8.300 nan 0.000 0.479 44 G N -1.753 107.182 108.800 0.225 0.000 3.233 44 G HA2 0.075 4.039 3.960 0.007 0.000 0.227 44 G HA3 0.075 4.039 3.960 0.007 0.000 0.227 44 G C 1.496 176.405 174.900 0.015 0.000 1.175 44 G CA 0.656 45.764 45.100 0.014 0.000 0.781 44 G HN 0.426 nan 8.290 nan 0.000 0.542 45 S N 0.195 115.935 115.700 0.068 0.000 2.383 45 S HA 0.027 4.501 4.470 0.007 0.000 0.227 45 S C 0.914 175.540 174.600 0.042 0.000 1.026 45 S CA 1.017 59.239 58.200 0.037 0.000 0.981 45 S CB -0.045 63.176 63.200 0.035 0.000 0.818 45 S HN 0.627 nan 8.310 nan 0.000 0.472 46 E N -0.893 119.359 120.200 0.087 0.000 2.458 46 E HA 0.372 4.726 4.350 0.007 0.000 0.278 46 E C -0.477 176.229 176.600 0.177 0.000 1.004 46 E CA -0.934 55.523 56.400 0.094 0.000 0.823 46 E CB 0.125 29.871 29.700 0.078 0.000 1.396 46 E HN -0.051 nan 8.360 nan 0.000 0.463 47 N N 0.239 119.032 118.700 0.154 0.000 2.188 47 N HA -0.095 4.649 4.740 0.007 0.000 0.184 47 N C 1.636 177.251 175.510 0.174 0.000 1.018 47 N CA 1.712 54.895 53.050 0.221 0.000 0.858 47 N CB -0.447 38.117 38.487 0.129 0.000 0.989 47 N HN 0.592 nan 8.380 nan 0.000 0.426 48 A N 0.320 123.204 122.820 0.106 0.000 2.125 48 A HA -0.101 4.223 4.320 0.007 0.000 0.219 48 A C 2.289 179.909 177.584 0.060 0.000 1.156 48 A CA 0.715 52.788 52.037 0.059 0.000 0.671 48 A CB -0.761 18.268 19.000 0.049 0.000 0.794 48 A HN 0.407 nan 8.150 nan 0.000 0.459 49 C N -0.637 118.745 119.300 0.137 0.000 2.491 49 C HA 0.011 4.476 4.460 0.007 0.000 0.277 49 C C 2.338 177.297 174.990 -0.052 0.000 1.455 49 C CA 0.720 59.837 59.018 0.166 0.000 1.758 49 C CB -1.385 26.566 27.740 0.352 0.000 1.745 49 C HN 0.787 nan 8.230 nan 0.000 0.558 50 E N 1.800 121.775 120.200 -0.375 0.000 2.085 50 E HA -0.272 4.082 4.350 0.007 0.000 0.194 50 E C 2.377 178.728 176.600 -0.415 0.000 0.994 50 E CA 1.456 57.211 56.400 -1.074 0.000 0.801 50 E CB -0.043 28.905 29.700 -1.254 0.000 0.743 50 E HN 0.777 nan 8.360 nan 0.000 0.453 51 R N -0.294 120.091 120.500 -0.192 0.000 2.115 51 R HA -0.044 4.301 4.340 0.007 0.000 0.230 51 R C 2.153 178.477 176.300 0.039 0.000 1.111 51 R CA 1.787 57.864 56.100 -0.038 0.000 0.976 51 R CB -0.730 29.562 30.300 -0.013 0.000 0.870 51 R HN -0.019 nan 8.270 nan 0.000 0.445 52 T N 0.497 115.068 114.554 0.029 0.000 2.777 52 T HA -0.159 4.195 4.350 0.007 0.000 0.266 52 T C 1.950 176.692 174.700 0.070 0.000 1.040 52 T CA 1.656 63.818 62.100 0.104 0.000 1.141 52 T CB -0.298 68.695 68.868 0.210 0.000 0.868 52 T HN 0.415 nan 8.240 nan 0.000 0.444 53 S N 0.572 116.193 115.700 -0.133 0.000 2.368 53 S HA -0.108 4.366 4.470 0.007 0.000 0.225 53 S C 1.783 176.339 174.600 -0.073 0.000 1.030 53 S CA 1.007 58.994 58.200 -0.355 0.000 0.999 53 S CB -0.590 62.361 63.200 -0.415 0.000 0.844 53 S HN 0.437 nan 8.310 nan 0.000 0.459 54 F N 2.651 122.449 119.950 -0.253 0.000 2.065 54 F HA -0.066 4.465 4.527 0.007 0.000 0.298 54 F C 2.353 177.858 175.800 -0.491 0.000 1.112 54 F CA 1.566 59.199 58.000 -0.612 0.000 1.212 54 F CB -1.209 37.439 39.000 -0.586 0.000 0.975 54 F HN 0.258 nan 8.300 nan 0.000 0.476 55 A N -0.105 122.448 122.820 -0.444 0.000 1.908 55 A HA -0.204 4.121 4.320 0.007 0.000 0.218 55 A C 2.261 179.680 177.584 -0.275 0.000 1.181 55 A CA 1.643 53.415 52.037 -0.441 0.000 0.627 55 A CB -1.677 17.242 19.000 -0.135 0.000 0.818 55 A HN 0.583 nan 8.150 nan 0.000 0.445 56 F N 0.475 120.301 119.950 -0.207 0.000 2.031 56 F HA -0.150 4.381 4.527 0.007 0.000 0.295 56 F C 1.997 177.713 175.800 -0.140 0.000 1.133 56 F CA 1.980 59.923 58.000 -0.094 0.000 1.188 56 F CB -0.228 38.833 39.000 0.102 0.000 0.974 56 F HN 0.132 nan 8.300 nan 0.000 0.473 57 L N 0.800 121.950 121.223 -0.121 0.000 2.131 57 L HA -0.204 4.140 4.340 0.007 0.000 0.210 57 L C 2.623 179.369 176.870 -0.208 0.000 1.092 57 L CA 1.588 56.336 54.840 -0.154 0.000 0.759 57 L CB -0.820 41.291 42.059 0.086 0.000 0.903 57 L HN 0.269 nan 8.230 nan 0.000 0.435 58 R N -0.388 119.879 120.500 -0.388 0.000 2.148 58 R HA -0.147 4.197 4.340 0.007 0.000 0.227 58 R C 1.874 178.089 176.300 -0.142 0.000 1.103 58 R CA 0.974 56.910 56.100 -0.273 0.000 0.983 58 R CB -0.229 29.712 30.300 -0.598 0.000 0.874 58 R HN 0.373 nan 8.270 nan 0.000 0.451 59 Q N 0.645 120.254 119.800 -0.318 0.000 2.226 59 Q HA -0.055 4.289 4.340 0.007 0.000 0.199 59 Q C 1.782 177.571 176.000 -0.352 0.000 0.945 59 Q CA 1.259 56.875 55.803 -0.311 0.000 0.861 59 Q CB -0.027 28.495 28.738 -0.359 0.000 0.953 59 Q HN 0.343 nan 8.270 nan 0.000 0.490 60 E N 1.286 121.184 120.200 -0.504 0.000 2.072 60 E HA -0.072 4.282 4.350 0.007 0.000 0.191 60 E C 2.049 178.483 176.600 -0.278 0.000 0.985 60 E CA 0.801 56.894 56.400 -0.512 0.000 0.801 60 E CB -0.224 28.890 29.700 -0.977 0.000 0.750 60 E HN 0.234 nan 8.360 nan 0.000 0.452 61 L N 0.289 121.372 121.223 -0.234 0.000 2.046 61 L HA -0.077 4.267 4.340 0.007 0.000 0.208 61 L C -0.586 176.179 176.870 -0.176 0.000 1.077 61 L CA 1.259 56.003 54.840 -0.160 0.000 0.747 61 L CB -1.420 40.567 42.059 -0.121 0.000 0.896 61 L HN 0.176 nan 8.230 nan 0.000 0.432 62 P HA -0.140 nan 4.420 nan 0.000 0.215 62 P C 2.000 179.213 177.300 -0.145 0.000 1.153 62 P CA 1.164 64.072 63.100 -0.321 0.000 0.853 62 P CB 0.084 31.320 31.700 -0.773 0.000 0.788 63 V N -0.024 119.843 119.914 -0.078 0.000 2.287 63 V HA -0.274 3.851 4.120 0.007 0.000 0.248 63 V C 2.438 178.569 176.094 0.061 0.000 1.053 63 V CA 1.911 64.270 62.300 0.099 0.000 1.027 63 V CB -0.954 30.907 31.823 0.064 0.000 0.646 63 V HN 0.096 nan 8.190 nan 0.000 0.447 64 R N -0.497 119.994 120.500 -0.016 0.000 2.092 64 R HA -0.067 4.277 4.340 0.007 0.000 0.231 64 R C 2.274 178.545 176.300 -0.048 0.000 1.119 64 R CA 1.296 57.383 56.100 -0.021 0.000 0.970 64 R CB -0.401 29.869 30.300 -0.050 0.000 0.864 64 R HN 0.423 nan 8.270 nan 0.000 0.440 65 L N 0.030 121.196 121.223 -0.094 0.000 2.056 65 L HA -0.088 4.257 4.340 0.007 0.000 0.207 65 L C 2.669 179.547 176.870 0.014 0.000 1.078 65 L CA 1.114 55.873 54.840 -0.134 0.000 0.749 65 L CB -0.506 41.444 42.059 -0.180 0.000 0.901 65 L HN 0.215 nan 8.230 nan 0.000 0.433 66 A N -0.113 122.745 122.820 0.063 0.000 1.930 66 A HA -0.186 4.138 4.320 0.007 0.000 0.217 66 A C 2.091 179.737 177.584 0.103 0.000 1.175 66 A CA 1.540 53.651 52.037 0.122 0.000 0.627 66 A CB -0.611 18.522 19.000 0.222 0.000 0.815 66 A HN 0.439 nan 8.150 nan 0.000 0.443 67 N N -0.580 118.192 118.700 0.120 0.000 2.120 67 N HA -0.156 4.588 4.740 0.007 0.000 0.188 67 N C 1.621 177.181 175.510 0.083 0.000 1.024 67 N CA 1.708 54.846 53.050 0.147 0.000 0.852 67 N CB -0.177 38.418 38.487 0.181 0.000 1.003 67 N HN 0.456 nan 8.380 nan 0.000 0.424 68 I N 1.407 122.034 120.570 0.094 0.000 2.500 68 I HA -0.067 4.107 4.170 0.007 0.000 0.252 68 I C 2.057 178.273 176.117 0.164 0.000 1.142 68 I CA 0.562 61.952 61.300 0.149 0.000 1.451 68 I CB -0.073 38.034 38.000 0.178 0.000 1.093 68 I HN 0.057 nan 8.210 nan 0.000 0.430 69 L N 0.129 121.436 121.223 0.140 0.000 2.042 69 L HA -0.238 4.106 4.340 0.007 0.000 0.210 69 L C 2.453 179.278 176.870 -0.075 0.000 1.076 69 L CA 1.245 56.136 54.840 0.084 0.000 0.749 69 L CB -0.759 41.365 42.059 0.108 0.000 0.893 69 L HN 0.122 nan 8.230 nan 0.000 0.432 70 K N -0.023 120.249 120.400 -0.213 0.000 2.148 70 K HA -0.129 4.195 4.320 0.007 0.000 0.204 70 K C 1.910 178.062 176.600 -0.747 0.000 1.050 70 K CA 1.033 57.008 56.287 -0.519 0.000 0.942 70 K CB -0.165 31.887 32.500 -0.748 0.000 0.724 70 K HN 0.430 nan 8.250 nan 0.000 0.446 71 E N 0.754 120.611 120.200 -0.571 0.000 2.058 71 E HA -0.150 4.204 4.350 0.007 0.000 0.194 71 E C 2.151 178.673 176.600 -0.130 0.000 0.997 71 E CA 0.918 57.207 56.400 -0.184 0.000 0.801 71 E CB -0.214 29.629 29.700 0.237 0.000 0.746 71 E HN 0.224 nan 8.360 nan 0.000 0.450 72 I N 1.683 122.232 120.570 -0.036 0.000 2.145 72 I HA -0.313 3.861 4.170 0.007 0.000 0.244 72 I C 1.783 177.717 176.117 -0.306 0.000 1.075 72 I CA 1.312 62.500 61.300 -0.187 0.000 1.332 72 I CB -0.292 37.664 38.000 -0.074 0.000 1.033 72 I HN 0.020 nan 8.210 nan 0.000 0.410 73 D N 0.411 120.675 120.400 -0.227 0.000 2.350 73 D HA -0.065 4.579 4.640 0.007 0.000 0.216 73 D C 1.969 178.148 176.300 -0.201 0.000 0.968 73 D CA 0.869 54.753 54.000 -0.194 0.000 0.894 73 D CB -0.087 40.634 40.800 -0.131 0.000 0.909 73 D HN 0.381 nan 8.370 nan 0.000 0.520 74 I N 0.215 120.630 120.570 -0.259 0.000 3.428 74 I HA -0.038 4.136 4.170 0.007 0.000 0.286 74 I C 0.670 176.529 176.117 -0.430 0.000 1.287 74 I CA 0.051 61.177 61.300 -0.290 0.000 1.396 74 I CB 0.269 38.066 38.000 -0.337 0.000 1.062 74 I HN -0.104 nan 8.210 nan 0.000 0.471 75 L N 1.065 121.993 121.223 -0.491 0.000 2.475 75 L HA 0.210 4.554 4.340 0.007 0.000 0.253 75 L C -1.974 174.658 176.870 -0.397 0.000 1.198 75 L CA -1.751 52.756 54.840 -0.554 0.000 0.814 75 L CB -0.443 41.179 42.059 -0.729 0.000 1.134 75 L HN -0.160 nan 8.230 nan 0.000 0.478 76 P HA -0.005 nan 4.420 nan 0.000 0.265 76 P C 0.491 177.605 177.300 -0.310 0.000 1.193 76 P CA 0.153 63.084 63.100 -0.282 0.000 0.765 76 P CB 0.552 32.106 31.700 -0.244 0.000 0.823 77 T N 1.455 115.893 114.554 -0.194 0.000 2.685 77 T HA -0.199 4.155 4.350 0.007 0.000 0.268 77 T C 1.571 176.168 174.700 -0.173 0.000 1.034 77 T CA 1.445 63.447 62.100 -0.163 0.000 1.149 77 T CB -0.314 68.496 68.868 -0.095 0.000 0.860 77 T HN 0.486 nan 8.240 nan 0.000 0.449 78 Q N 0.074 119.790 119.800 -0.141 0.000 2.297 78 Q HA 0.080 4.425 4.340 0.007 0.000 0.204 78 Q C 2.246 178.114 176.000 -0.220 0.000 0.962 78 Q CA 0.571 56.328 55.803 -0.077 0.000 0.879 78 Q CB -0.407 28.398 28.738 0.111 0.000 0.947 78 Q HN 0.417 nan 8.270 nan 0.000 0.462 79 L N -0.119 120.757 121.223 -0.578 0.000 2.034 79 L HA -0.070 4.274 4.340 0.007 0.000 0.203 79 L C 2.131 178.749 176.870 -0.419 0.000 1.074 79 L CA 1.234 55.645 54.840 -0.715 0.000 0.748 79 L CB -0.722 40.673 42.059 -1.106 0.000 0.905 79 L HN -0.099 nan 8.230 nan 0.000 0.439 80 V N 0.793 120.470 119.914 -0.396 0.000 2.324 80 V HA -0.291 3.833 4.120 0.007 0.000 0.250 80 V C 1.937 177.891 176.094 -0.233 0.000 1.060 80 V CA 1.983 64.094 62.300 -0.314 0.000 1.042 80 V CB -1.173 30.482 31.823 -0.280 0.000 0.650 80 V HN 0.529 nan 8.190 nan 0.000 0.450 81 N N 0.208 118.792 118.700 -0.192 0.000 2.521 81 N HA -0.021 4.723 4.740 0.007 0.000 0.188 81 N C 0.891 176.325 175.510 -0.127 0.000 1.146 81 N CA 0.703 53.668 53.050 -0.141 0.000 0.893 81 N CB -0.474 37.950 38.487 -0.106 0.000 0.975 81 N HN 0.774 nan 8.380 nan 0.000 0.451 82 T N -1.875 112.592 114.554 -0.145 0.000 2.903 82 T HA 0.046 4.400 4.350 0.007 0.000 0.314 82 T C 1.617 176.237 174.700 -0.133 0.000 1.078 82 T CA -0.117 61.916 62.100 -0.113 0.000 1.114 82 T CB 1.026 69.834 68.868 -0.100 0.000 0.987 82 T HN 0.189 nan 8.240 nan 0.000 0.548 83 S N 1.821 117.456 115.700 -0.108 0.000 2.400 83 S HA -0.158 4.316 4.470 0.007 0.000 0.232 83 S C 2.110 176.604 174.600 -0.176 0.000 1.025 83 S CA 1.183 59.307 58.200 -0.125 0.000 0.993 83 S CB -1.022 62.126 63.200 -0.087 0.000 0.808 83 S HN 0.697 nan 8.310 nan 0.000 0.478 84 S N 1.420 117.026 115.700 -0.158 0.000 2.355 84 S HA -0.000 4.474 4.470 0.007 0.000 0.222 84 S C 1.973 176.403 174.600 -0.282 0.000 1.031 84 S CA 1.280 59.364 58.200 -0.194 0.000 0.993 84 S CB -0.551 62.576 63.200 -0.122 0.000 0.859 84 S HN 0.457 nan 8.310 nan 0.000 0.453 85 V N 1.972 121.728 119.914 -0.263 0.000 2.453 85 V HA -0.105 4.019 4.120 0.007 0.000 0.247 85 V C 2.563 178.464 176.094 -0.322 0.000 1.048 85 V CA 1.207 63.318 62.300 -0.316 0.000 1.049 85 V CB -0.637 30.996 31.823 -0.317 0.000 0.672 85 V HN 0.357 nan 8.190 nan 0.000 0.457 86 Q N -0.136 119.498 119.800 -0.275 0.000 2.096 86 Q HA -0.147 4.197 4.340 0.007 0.000 0.204 86 Q C 2.290 178.078 176.000 -0.354 0.000 0.982 86 Q CA 1.601 57.249 55.803 -0.258 0.000 0.850 86 Q CB -0.497 28.125 28.738 -0.193 0.000 0.901 86 Q HN 0.545 nan 8.270 nan 0.000 0.422 87 L N -0.409 120.531 121.223 -0.472 0.000 1.989 87 L HA -0.203 4.141 4.340 0.007 0.000 0.211 87 L C 2.442 178.590 176.870 -1.203 0.000 1.071 87 L CA 0.981 55.312 54.840 -0.848 0.000 0.749 87 L CB -0.569 40.929 42.059 -0.936 0.000 0.890 87 L HN 0.049 nan 8.230 nan 0.000 0.431 88 V N 0.123 119.495 119.914 -0.903 0.000 2.287 88 V HA -0.365 3.759 4.120 0.007 0.000 0.248 88 V C 2.541 178.341 176.094 -0.490 0.000 1.053 88 V CA 2.258 64.162 62.300 -0.660 0.000 1.027 88 V CB -0.550 30.992 31.823 -0.469 0.000 0.646 88 V HN 0.468 nan 8.190 nan 0.000 0.447 89 K N 0.680 120.858 120.400 -0.370 0.000 2.057 89 K HA -0.198 4.127 4.320 0.007 0.000 0.207 89 K C 2.385 178.940 176.600 -0.075 0.000 1.049 89 K CA 1.842 58.025 56.287 -0.175 0.000 0.931 89 K CB -0.321 32.080 32.500 -0.165 0.000 0.714 89 K HN 0.597 nan 8.250 nan 0.000 0.440 90 S N -0.373 115.225 115.700 -0.171 0.000 2.399 90 S HA -0.144 4.330 4.470 0.007 0.000 0.231 90 S C 1.754 176.429 174.600 0.126 0.000 1.022 90 S CA 0.735 58.898 58.200 -0.062 0.000 0.983 90 S CB -0.599 62.528 63.200 -0.122 0.000 0.803 90 S HN 0.437 nan 8.310 nan 0.000 0.480 91 W N 0.818 122.169 121.300 0.085 0.000 2.379 91 W HA 0.125 4.789 4.660 0.007 0.000 0.307 91 W C 2.305 179.039 176.519 0.358 0.000 1.200 91 W CA 0.073 57.536 57.345 0.196 0.000 1.297 91 W CB -1.625 27.949 29.460 0.189 0.000 1.140 91 W HN 0.297 nan 8.180 nan 0.000 0.507 92 Y N 0.273 120.737 120.300 0.274 0.000 2.165 92 Y HA -0.204 4.350 4.550 0.007 0.000 0.286 92 Y C 2.466 178.462 175.900 0.160 0.000 1.155 92 Y CA 0.736 58.946 58.100 0.183 0.000 1.164 92 Y CB -1.439 37.072 38.460 0.085 0.000 0.978 92 Y HN -0.073 nan 8.280 nan 0.000 0.513 93 I N -0.664 120.079 120.570 0.289 0.000 2.202 93 I HA -0.301 3.873 4.170 0.007 0.000 0.242 93 I C 2.498 178.710 176.117 0.158 0.000 1.091 93 I CA 1.494 62.899 61.300 0.176 0.000 1.368 93 I CB -0.299 37.774 38.000 0.122 0.000 1.058 93 I HN 0.120 nan 8.210 nan 0.000 0.410 94 Q N 0.892 120.808 119.800 0.193 0.000 2.084 94 Q HA -0.167 4.177 4.340 0.007 0.000 0.202 94 Q C 2.206 178.284 176.000 0.131 0.000 0.978 94 Q CA 2.188 58.085 55.803 0.157 0.000 0.844 94 Q CB -0.224 28.626 28.738 0.186 0.000 0.898 94 Q HN 0.336 nan 8.270 nan 0.000 0.426 95 S N 0.201 116.009 115.700 0.180 0.000 2.368 95 S HA -0.124 4.350 4.470 0.007 0.000 0.225 95 S C 1.756 176.374 174.600 0.030 0.000 1.030 95 S CA 1.161 59.419 58.200 0.095 0.000 0.999 95 S CB -0.465 62.832 63.200 0.162 0.000 0.844 95 S HN 0.534 nan 8.310 nan 0.000 0.459 96 L N 0.985 122.232 121.223 0.040 0.000 2.046 96 L HA -0.122 4.223 4.340 0.007 0.000 0.208 96 L C 2.205 179.047 176.870 -0.047 0.000 1.077 96 L CA 1.328 56.147 54.840 -0.034 0.000 0.747 96 L CB -0.286 41.767 42.059 -0.011 0.000 0.896 96 L HN 0.251 nan 8.230 nan 0.000 0.432 97 M N -0.557 119.047 119.600 0.007 0.000 2.086 97 M HA -0.203 4.281 4.480 0.007 0.000 0.261 97 M C 1.938 178.238 176.300 -0.000 0.000 1.067 97 M CA 1.523 56.823 55.300 0.000 0.000 1.116 97 M CB -1.464 31.154 32.600 0.029 0.000 1.348 97 M HN 0.252 nan 8.290 nan 0.000 0.407 98 D N 0.730 121.150 120.400 0.033 0.000 2.133 98 D HA -0.137 4.507 4.640 0.007 0.000 0.195 98 D C 2.249 178.661 176.300 0.187 0.000 0.997 98 D CA 1.211 55.259 54.000 0.079 0.000 0.840 98 D CB -0.319 40.519 40.800 0.065 0.000 0.947 98 D HN 0.331 nan 8.370 nan 0.000 0.452 99 L N -0.146 121.142 121.223 0.109 0.000 2.072 99 L HA -0.090 4.254 4.340 0.007 0.000 0.205 99 L C 2.491 179.397 176.870 0.060 0.000 1.079 99 L CA 0.432 55.369 54.840 0.161 0.000 0.752 99 L CB -0.259 41.794 42.059 -0.010 0.000 0.906 99 L HN -0.079 nan 8.230 nan 0.000 0.436 100 V N -0.259 119.517 119.914 -0.229 0.000 2.626 100 V HA -0.229 3.895 4.120 0.007 0.000 0.252 100 V C 2.283 178.177 176.094 -0.333 0.000 1.067 100 V CA 1.393 63.303 62.300 -0.649 0.000 1.081 100 V CB -0.396 31.164 31.823 -0.439 0.000 0.686 100 V HN 0.421 nan 8.190 nan 0.000 0.468 101 E N -0.335 119.803 120.200 -0.103 0.000 2.219 101 E HA -0.230 4.125 4.350 0.007 0.000 0.198 101 E C 1.719 178.240 176.600 -0.131 0.000 0.998 101 E CA 1.429 57.759 56.400 -0.116 0.000 0.818 101 E CB -0.166 29.435 29.700 -0.165 0.000 0.741 101 E HN 0.677 nan 8.360 nan 0.000 0.477 102 F N -0.779 119.220 119.950 0.081 0.000 2.811 102 F HA -0.002 4.529 4.527 0.007 0.000 0.301 102 F C 1.734 177.682 175.800 0.247 0.000 1.151 102 F CA 0.379 58.513 58.000 0.224 0.000 1.412 102 F CB 0.117 39.344 39.000 0.380 0.000 1.113 102 F HN 0.066 nan 8.300 nan 0.000 0.579 103 H N 0.403 119.564 119.070 0.152 0.000 2.457 103 H HA -0.128 4.432 4.556 0.007 0.000 0.294 103 H C 1.908 177.281 175.328 0.074 0.000 1.064 103 H CA 1.490 57.581 56.048 0.071 0.000 1.330 103 H CB -0.432 29.374 29.762 0.074 0.000 1.395 103 H HN 0.480 nan 8.280 nan 0.000 0.541 104 E N 0.316 120.635 120.200 0.198 0.000 2.481 104 E HA 0.003 4.357 4.350 0.007 0.000 0.195 104 E C 0.146 176.819 176.600 0.122 0.000 1.047 104 E CA 0.109 56.582 56.400 0.122 0.000 0.867 104 E CB 0.292 30.036 29.700 0.073 0.000 0.858 104 E HN 0.037 nan 8.360 nan 0.000 0.513 105 K N 1.547 122.061 120.400 0.190 0.000 2.185 105 K HA 0.179 4.503 4.320 0.007 0.000 0.271 105 K C -0.099 176.634 176.600 0.221 0.000 1.013 105 K CA -0.396 56.012 56.287 0.203 0.000 0.943 105 K CB 1.664 34.334 32.500 0.283 0.000 0.998 105 K HN -0.013 nan 8.250 nan 0.000 0.468 106 S N 2.125 117.911 115.700 0.142 0.000 2.528 106 S HA 0.150 4.625 4.470 0.007 0.000 0.277 106 S C -1.674 173.014 174.600 0.147 0.000 1.297 106 S CA -1.304 56.969 58.200 0.122 0.000 1.052 106 S CB 0.545 63.780 63.200 0.058 0.000 0.917 106 S HN 0.226 nan 8.310 nan 0.000 0.492 107 P HA -0.022 nan 4.420 nan 0.000 0.223 107 P C 0.179 177.478 177.300 -0.002 0.000 1.144 107 P CA 0.849 64.071 63.100 0.203 0.000 0.783 107 P CB 0.076 31.917 31.700 0.235 0.000 0.771 108 D N -1.529 118.872 120.400 0.003 0.000 2.340 108 D HA -0.038 4.606 4.640 0.007 0.000 0.220 108 D C 0.319 176.591 176.300 -0.047 0.000 1.039 108 D CA 0.593 54.578 54.000 -0.025 0.000 0.866 108 D CB -0.488 40.309 40.800 -0.004 0.000 0.913 108 D HN 0.157 nan 8.370 nan 0.000 0.523 109 D N 0.944 121.308 120.400 -0.060 0.000 2.374 109 D HA -0.001 4.643 4.640 0.007 0.000 0.240 109 D C 1.196 177.434 176.300 -0.104 0.000 1.229 109 D CA -0.091 53.873 54.000 -0.060 0.000 0.895 109 D CB 1.089 41.868 40.800 -0.034 0.000 1.046 109 D HN -0.257 nan 8.370 nan 0.000 0.498 110 Q N 3.354 123.108 119.800 -0.077 0.000 2.135 110 Q HA -0.160 4.184 4.340 0.007 0.000 0.204 110 Q C 1.748 177.708 176.000 -0.067 0.000 0.981 110 Q CA 1.363 57.118 55.803 -0.080 0.000 0.856 110 Q CB 0.016 28.726 28.738 -0.048 0.000 0.902 110 Q HN 0.545 nan 8.270 nan 0.000 0.425 111 K N -0.765 119.610 120.400 -0.041 0.000 2.057 111 K HA -0.116 4.208 4.320 0.007 0.000 0.207 111 K C 1.859 178.458 176.600 -0.003 0.000 1.049 111 K CA 1.179 57.457 56.287 -0.016 0.000 0.931 111 K CB -0.197 32.300 32.500 -0.004 0.000 0.714 111 K HN 0.208 nan 8.250 nan 0.000 0.440 112 A N 1.601 124.404 122.820 -0.028 0.000 1.908 112 A HA -0.146 4.178 4.320 0.007 0.000 0.218 112 A C 2.143 179.650 177.584 -0.128 0.000 1.181 112 A CA 1.373 53.415 52.037 0.008 0.000 0.627 112 A CB -0.576 18.404 19.000 -0.034 0.000 0.818 112 A HN 0.340 nan 8.150 nan 0.000 0.445 113 L N -1.175 119.862 121.223 -0.309 0.000 2.109 113 L HA -0.116 4.228 4.340 0.007 0.000 0.207 113 L C 2.895 179.724 176.870 -0.068 0.000 1.086 113 L CA 1.363 55.984 54.840 -0.365 0.000 0.760 113 L CB -0.470 41.390 42.059 -0.332 0.000 0.910 113 L HN 0.479 nan 8.230 nan 0.000 0.437 114 S N -0.205 115.480 115.700 -0.024 0.000 2.356 114 S HA -0.198 4.276 4.470 0.007 0.000 0.223 114 S C 1.599 176.244 174.600 0.075 0.000 1.032 114 S CA 1.603 59.821 58.200 0.031 0.000 1.005 114 S CB -0.153 63.059 63.200 0.019 0.000 0.867 114 S HN 0.395 nan 8.310 nan 0.000 0.449 115 D N 0.208 120.686 120.400 0.129 0.000 2.144 115 D HA -0.053 4.591 4.640 0.007 0.000 0.200 115 D C 1.544 178.001 176.300 0.263 0.000 0.978 115 D CA 0.729 54.868 54.000 0.232 0.000 0.833 115 D CB -0.495 40.505 40.800 0.333 0.000 0.961 115 D HN 0.450 nan 8.370 nan 0.000 0.470 116 F N 1.508 121.416 119.950 -0.070 0.000 2.095 116 F HA -0.238 4.293 4.527 0.007 0.000 0.298 116 F C 2.234 177.900 175.800 -0.223 0.000 1.104 116 F CA 1.040 58.727 58.000 -0.522 0.000 1.232 116 F CB -0.358 38.266 39.000 -0.626 0.000 0.987 116 F HN -0.212 nan 8.300 nan 0.000 0.475 117 V N 0.404 120.305 119.914 -0.023 0.000 2.332 117 V HA -0.327 3.797 4.120 0.007 0.000 0.248 117 V C 2.111 178.153 176.094 -0.088 0.000 1.055 117 V CA 2.288 64.585 62.300 -0.004 0.000 1.038 117 V CB -0.711 31.182 31.823 0.117 0.000 0.651 117 V HN 0.290 nan 8.190 nan 0.000 0.450 118 D N -0.319 120.057 120.400 -0.040 0.000 2.117 118 D HA -0.129 4.515 4.640 0.007 0.000 0.197 118 D C 2.294 178.547 176.300 -0.078 0.000 0.987 118 D CA 1.770 55.749 54.000 -0.034 0.000 0.829 118 D CB -0.441 40.367 40.800 0.015 0.000 0.961 118 D HN 0.388 nan 8.370 nan 0.000 0.460 119 T N 1.116 115.609 114.554 -0.103 0.000 2.746 119 T HA -0.074 4.280 4.350 0.007 0.000 0.267 119 T C 2.159 176.692 174.700 -0.279 0.000 1.039 119 T CA 0.557 62.574 62.100 -0.138 0.000 1.142 119 T CB -0.213 68.627 68.868 -0.048 0.000 0.866 119 T HN 0.141 nan 8.240 nan 0.000 0.444 120 L N 0.150 121.113 121.223 -0.433 0.000 2.093 120 L HA -0.004 4.340 4.340 0.007 0.000 0.208 120 L C 2.415 179.149 176.870 -0.227 0.000 1.085 120 L CA 1.101 55.706 54.840 -0.391 0.000 0.755 120 L CB -0.547 41.257 42.059 -0.425 0.000 0.904 120 L HN 0.287 nan 8.230 nan 0.000 0.435 121 I N 0.085 120.556 120.570 -0.166 0.000 2.286 121 I HA -0.312 3.862 4.170 0.007 0.000 0.248 121 I C 2.705 178.746 176.117 -0.128 0.000 1.115 121 I CA 1.328 62.559 61.300 -0.116 0.000 1.392 121 I CB -0.235 37.718 38.000 -0.078 0.000 1.065 121 I HN 0.257 nan 8.210 nan 0.000 0.418 122 K N 0.999 121.321 120.400 -0.130 0.000 2.057 122 K HA -0.128 4.196 4.320 0.007 0.000 0.206 122 K C 2.075 178.571 176.600 -0.173 0.000 1.050 122 K CA 1.259 57.474 56.287 -0.121 0.000 0.935 122 K CB 0.050 32.501 32.500 -0.082 0.000 0.715 122 K HN 0.074 nan 8.250 nan 0.000 0.439 123 V N 1.647 121.421 119.914 -0.233 0.000 2.295 123 V HA -0.239 3.885 4.120 0.007 0.000 0.246 123 V C 2.605 178.423 176.094 -0.461 0.000 1.049 123 V CA 2.139 64.204 62.300 -0.391 0.000 1.024 123 V CB -0.631 30.948 31.823 -0.407 0.000 0.648 123 V HN 0.430 nan 8.190 nan 0.000 0.447 124 R N 0.375 120.706 120.500 -0.281 0.000 2.096 124 R HA -0.224 4.120 4.340 0.007 0.000 0.240 124 R C 2.208 178.447 176.300 -0.103 0.000 1.139 124 R CA 2.285 58.289 56.100 -0.159 0.000 0.952 124 R CB -0.321 29.922 30.300 -0.095 0.000 0.854 124 R HN 0.525 nan 8.270 nan 0.000 0.436 125 N N 0.382 119.004 118.700 -0.130 0.000 2.166 125 N HA -0.183 4.561 4.740 0.007 0.000 0.186 125 N C 1.722 177.147 175.510 -0.142 0.000 1.019 125 N CA 1.204 54.181 53.050 -0.123 0.000 0.856 125 N CB -0.368 38.040 38.487 -0.132 0.000 0.993 125 N HN 0.295 nan 8.380 nan 0.000 0.426 126 R N 0.263 120.643 120.500 -0.200 0.000 2.115 126 R HA -0.031 4.314 4.340 0.007 0.000 0.230 126 R C 0.985 177.083 176.300 -0.337 0.000 1.111 126 R CA 1.227 57.141 56.100 -0.309 0.000 0.976 126 R CB -0.134 30.041 30.300 -0.208 0.000 0.870 126 R HN 0.503 nan 8.270 nan 0.000 0.445 127 H N -1.989 116.949 119.070 -0.221 0.000 2.526 127 H HA -0.035 4.525 4.556 0.007 0.000 0.274 127 H C 1.184 176.476 175.328 -0.061 0.000 0.999 127 H CA -0.002 55.994 56.048 -0.087 0.000 1.157 127 H CB 0.303 30.120 29.762 0.091 0.000 1.407 127 H HN 0.340 nan 8.280 nan 0.000 0.568 128 H N 1.583 120.601 119.070 -0.087 0.000 2.352 128 H HA -0.068 4.493 4.556 0.008 0.000 0.299 128 H C 1.150 176.465 175.328 -0.021 0.000 1.097 128 H CA 1.302 57.322 56.048 -0.048 0.000 1.311 128 H CB 0.196 29.911 29.762 -0.079 0.000 1.377 128 H HN 0.194 nan 8.280 nan 0.000 0.504 129 N N 0.375 118.991 118.700 -0.140 0.000 2.327 129 N HA 0.015 4.759 4.740 0.007 0.000 0.231 129 N C 1.208 176.793 175.510 0.125 0.000 1.130 129 N CA 0.180 53.180 53.050 -0.083 0.000 0.845 129 N CB 0.766 39.257 38.487 0.006 0.000 1.073 129 N HN 0.190 nan 8.380 nan 0.000 0.496 130 V N 0.140 120.151 119.914 0.163 0.000 2.295 130 V HA -0.206 3.919 4.120 0.007 0.000 0.246 130 V C 2.326 178.601 176.094 0.302 0.000 1.049 130 V CA 1.418 63.919 62.300 0.336 0.000 1.024 130 V CB -0.159 31.841 31.823 0.294 0.000 0.648 130 V HN 0.099 nan 8.190 nan 0.000 0.447 131 V N 0.929 120.972 119.914 0.215 0.000 2.255 131 V HA -0.153 3.971 4.120 0.007 0.000 0.247 131 V C 0.173 176.332 176.094 0.109 0.000 1.051 131 V CA 2.595 65.031 62.300 0.228 0.000 1.018 131 V CB -2.010 29.829 31.823 0.028 0.000 0.641 131 V HN 0.532 nan 8.190 nan 0.000 0.445 132 P HA -0.100 nan 4.420 nan 0.000 0.222 132 P C 1.565 178.868 177.300 0.005 0.000 1.147 132 P CA 1.411 64.470 63.100 -0.068 0.000 0.790 132 P CB -0.173 31.474 31.700 -0.088 0.000 0.780 133 T N -0.268 114.342 114.554 0.093 0.000 2.770 133 T HA -0.086 4.268 4.350 0.007 0.000 0.263 133 T C 1.821 176.534 174.700 0.022 0.000 1.039 133 T CA 1.310 63.461 62.100 0.086 0.000 1.142 133 T CB -0.606 68.376 68.868 0.190 0.000 0.868 133 T HN 0.006 nan 8.240 nan 0.000 0.435 134 M N 2.245 121.882 119.600 0.062 0.000 2.080 134 M HA 0.048 4.532 4.480 0.007 0.000 0.260 134 M C 2.318 178.660 176.300 0.070 0.000 1.068 134 M CA 1.592 56.883 55.300 -0.014 0.000 1.109 134 M CB -0.959 31.615 32.600 -0.043 0.000 1.342 134 M HN 0.203 nan 8.290 nan 0.000 0.405 135 A N -0.528 122.376 122.820 0.139 0.000 1.908 135 A HA -0.211 4.113 4.320 0.007 0.000 0.218 135 A C 2.117 179.731 177.584 0.050 0.000 1.181 135 A CA 1.756 53.855 52.037 0.104 0.000 0.627 135 A CB -0.826 18.066 19.000 -0.180 0.000 0.818 135 A HN 0.627 nan 8.150 nan 0.000 0.445 136 Q N -0.529 119.274 119.800 0.004 0.000 2.135 136 Q HA -0.144 4.200 4.340 0.007 0.000 0.204 136 Q C 2.227 178.238 176.000 0.018 0.000 0.981 136 Q CA 1.618 57.426 55.803 0.010 0.000 0.856 136 Q CB -1.022 27.711 28.738 -0.007 0.000 0.902 136 Q HN 0.669 nan 8.270 nan 0.000 0.425 137 G N 1.109 109.904 108.800 -0.009 0.000 2.440 137 G HA2 -0.217 3.747 3.960 0.007 0.000 0.218 137 G HA3 -0.217 3.747 3.960 0.007 0.000 0.218 137 G C 1.500 176.428 174.900 0.048 0.000 1.154 137 G CA 0.610 45.692 45.100 -0.029 0.000 0.767 137 G HN 0.236 nan 8.290 nan 0.000 0.552 138 I N 0.929 121.550 120.570 0.084 0.000 2.099 138 I HA -0.142 4.032 4.170 0.007 0.000 0.239 138 I C 2.849 179.068 176.117 0.171 0.000 1.066 138 I CA 1.012 62.415 61.300 0.172 0.000 1.324 138 I CB -1.108 37.019 38.000 0.211 0.000 1.037 138 I HN 0.136 nan 8.210 nan 0.000 0.401 139 I N 0.854 121.506 120.570 0.135 0.000 2.087 139 I HA -0.352 3.823 4.170 0.007 0.000 0.240 139 I C 2.506 178.672 176.117 0.082 0.000 1.054 139 I CA 1.722 63.086 61.300 0.107 0.000 1.311 139 I CB -0.407 37.653 38.000 0.100 0.000 1.024 139 I HN 0.206 nan 8.210 nan 0.000 0.402 140 E N -0.199 120.045 120.200 0.074 0.000 2.026 140 E HA -0.336 4.018 4.350 0.007 0.000 0.206 140 E C 2.095 178.753 176.600 0.097 0.000 1.028 140 E CA 2.322 58.761 56.400 0.065 0.000 0.845 140 E CB -0.563 29.165 29.700 0.046 0.000 0.772 140 E HN 0.528 nan 8.360 nan 0.000 0.462 141 Y N 1.381 121.671 120.300 -0.018 0.000 2.096 141 Y HA -0.339 4.216 4.550 0.008 0.000 0.278 141 Y C 1.413 177.312 175.900 -0.001 0.000 1.192 141 Y CA 1.518 59.605 58.100 -0.023 0.000 1.143 141 Y CB 0.014 38.451 38.460 -0.039 0.000 0.963 141 Y HN -0.072 nan 8.280 nan 0.000 0.505 145 C N 1.783 121.015 119.300 -0.114 0.000 2.385 145 C HA 0.198 4.662 4.460 0.007 0.000 0.312 145 C C 1.892 176.771 174.990 -0.185 0.000 1.472 145 C CA 1.405 60.335 59.018 -0.147 0.000 1.775 145 C CB -2.361 25.278 27.740 -0.167 0.000 1.662 145 C HN 1.183 nan 8.230 nan 0.000 0.583 146 T N -2.012 112.430 114.554 -0.185 0.000 10.012 146 T HA -0.218 4.137 4.350 0.007 0.000 0.364 146 T C 0.433 175.019 174.700 -0.190 0.000 1.801 146 T CA 1.225 63.239 62.100 -0.142 0.000 2.812 146 T CB -1.527 67.292 68.868 -0.082 0.000 2.543 146 T HN 0.431 nan 8.240 nan 0.000 1.030 147 V N 2.313 122.026 119.914 -0.336 0.000 2.872 147 V HA 0.483 4.607 4.120 0.007 0.000 0.307 147 V C 0.469 176.418 176.094 -0.243 0.000 1.072 147 V CA 0.332 62.447 62.300 -0.310 0.000 1.148 147 V CB 1.122 32.674 31.823 -0.452 0.000 0.954 147 V HN 0.398 nan 8.190 nan 0.000 0.490 148 D N 2.959 123.332 120.400 -0.046 0.000 2.609 148 D HA 0.427 5.072 4.640 0.007 0.000 0.239 148 D C -2.343 174.034 176.300 0.129 0.000 1.229 148 D CA -1.431 52.602 54.000 0.055 0.000 0.808 148 D CB 2.674 43.505 40.800 0.053 0.000 1.448 148 D HN 0.130 nan 8.370 nan 0.000 0.433 149 P HA 0.060 nan 4.420 nan 0.000 0.235 149 P C 1.181 178.589 177.300 0.181 0.000 1.177 149 P CA 0.251 63.480 63.100 0.215 0.000 0.785 149 P CB 0.608 32.486 31.700 0.296 0.000 0.885 150 V N -0.157 119.856 119.914 0.165 0.000 2.667 150 V HA -0.140 3.984 4.120 0.007 0.000 0.252 150 V C 2.132 178.286 176.094 0.099 0.000 1.065 150 V CA 2.475 64.860 62.300 0.142 0.000 1.083 150 V CB -1.803 30.131 31.823 0.185 0.000 0.692 150 V HN 0.304 nan 8.190 nan 0.000 0.468 151 T N -3.843 110.767 114.554 0.093 0.000 3.010 151 T HA 0.169 4.523 4.350 0.007 0.000 0.257 151 T C 0.497 175.239 174.700 0.070 0.000 1.020 151 T CA 0.029 62.169 62.100 0.067 0.000 0.938 151 T CB -0.288 68.611 68.868 0.050 0.000 1.049 151 T HN 0.381 nan 8.240 nan 0.000 0.522 152 N N 1.003 119.761 118.700 0.097 0.000 2.564 152 N HA 0.327 5.071 4.740 0.007 0.000 0.248 152 N C 0.894 176.489 175.510 0.142 0.000 0.986 152 N CA -0.468 52.649 53.050 0.112 0.000 0.921 152 N CB 1.249 39.813 38.487 0.128 0.000 1.136 152 N HN 0.124 nan 8.380 nan 0.000 0.509 153 Q N 1.119 120.990 119.800 0.118 0.000 2.224 153 Q HA -0.062 4.282 4.340 0.007 0.000 0.203 153 Q C 0.969 177.079 176.000 0.184 0.000 0.970 153 Q CA 1.006 56.885 55.803 0.128 0.000 0.865 153 Q CB 0.120 28.901 28.738 0.071 0.000 0.922 153 Q HN 0.589 nan 8.270 nan 0.000 0.445 154 N N 0.414 119.230 118.700 0.193 0.000 2.188 154 N HA -0.096 4.648 4.740 0.007 0.000 0.184 154 N C 1.515 177.271 175.510 0.411 0.000 1.018 154 N CA 0.782 54.015 53.050 0.305 0.000 0.858 154 N CB -0.084 38.586 38.487 0.304 0.000 0.989 154 N HN 0.214 nan 8.380 nan 0.000 0.426 155 L N 0.552 121.957 121.223 0.304 0.000 2.056 155 L HA -0.190 4.154 4.340 0.007 0.000 0.207 155 L C 2.394 179.461 176.870 0.328 0.000 1.078 155 L CA 1.154 56.174 54.840 0.300 0.000 0.749 155 L CB -0.170 42.042 42.059 0.255 0.000 0.901 155 L HN 0.136 nan 8.230 nan 0.000 0.433 156 Q N -0.703 119.286 119.800 0.315 0.000 2.061 156 Q HA -0.312 4.032 4.340 0.007 0.000 0.204 156 Q C 2.009 178.213 176.000 0.341 0.000 0.984 156 Q CA 2.289 58.303 55.803 0.352 0.000 0.846 156 Q CB -0.597 28.315 28.738 0.290 0.000 0.902 156 Q HN 0.546 nan 8.270 nan 0.000 0.421 157 Y N -0.192 120.219 120.300 0.185 0.000 2.145 157 Y HA -0.238 4.316 4.550 0.006 0.000 0.286 157 Y C 1.893 177.883 175.900 0.151 0.000 1.145 157 Y CA 1.945 60.109 58.100 0.106 0.000 1.148 157 Y CB -0.710 37.752 38.460 0.003 0.000 0.981 157 Y HN 0.294 nan 8.280 nan 0.000 0.507 158 F N 0.334 120.380 119.950 0.159 0.000 2.095 158 F HA -0.249 4.281 4.527 0.005 0.000 0.298 158 F C 1.931 177.683 175.800 -0.080 0.000 1.104 158 F CA 1.877 59.925 58.000 0.081 0.000 1.232 158 F CB -0.675 38.417 39.000 0.154 0.000 0.987 158 F HN 0.077 nan 8.300 nan 0.000 0.475 159 L N -0.066 121.037 121.223 -0.200 0.000 2.083 159 L HA -0.221 4.124 4.340 0.007 0.000 0.209 159 L C 2.204 178.833 176.870 -0.402 0.000 1.083 159 L CA 1.405 55.888 54.840 -0.595 0.000 0.752 159 L CB -0.857 40.786 42.059 -0.692 0.000 0.899 159 L HN 0.119 nan 8.230 nan 0.000 0.433 160 D N 0.066 120.431 120.400 -0.059 0.000 2.117 160 D HA -0.161 4.484 4.640 0.007 0.000 0.197 160 D C 2.359 178.583 176.300 -0.126 0.000 0.987 160 D CA 1.237 55.275 54.000 0.063 0.000 0.829 160 D CB -0.009 40.837 40.800 0.077 0.000 0.961 160 D HN 0.278 nan 8.370 nan 0.000 0.460 161 R N -0.554 119.776 120.500 -0.282 0.000 2.073 161 R HA -0.043 4.301 4.340 0.007 0.000 0.229 161 R C 2.295 178.410 176.300 -0.309 0.000 1.120 161 R CA 0.594 56.520 56.100 -0.291 0.000 0.967 161 R CB -0.469 29.628 30.300 -0.339 0.000 0.862 161 R HN 0.154 nan 8.270 nan 0.000 0.436 162 F N 0.512 120.036 119.950 -0.710 0.000 2.102 162 F HA -0.222 4.309 4.527 0.006 0.000 0.298 162 F C 1.675 177.224 175.800 -0.418 0.000 1.105 162 F CA 1.480 59.044 58.000 -0.727 0.000 1.239 162 F CB -0.282 37.942 39.000 -1.293 0.000 0.991 162 F HN -0.021 nan 8.300 nan 0.000 0.474 163 Y N -1.258 118.876 120.300 -0.276 0.000 2.263 163 Y HA -0.224 4.329 4.550 0.005 0.000 0.292 163 Y C 2.448 178.134 175.900 -0.355 0.000 1.130 163 Y CA 0.801 58.724 58.100 -0.296 0.000 1.179 163 Y CB -0.311 38.068 38.460 -0.135 0.000 0.998 163 Y HN 0.167 nan 8.280 nan 0.000 0.532 164 M N 0.827 120.335 119.600 -0.154 0.000 2.117 164 M HA -0.228 4.256 4.480 0.007 0.000 0.262 164 M C 1.995 178.140 176.300 -0.258 0.000 1.065 164 M CA 1.538 56.704 55.300 -0.222 0.000 1.114 164 M CB -0.641 31.884 32.600 -0.126 0.000 1.361 164 M HN 0.150 nan 8.290 nan 0.000 0.408 165 N N 0.376 118.931 118.700 -0.242 0.000 2.043 165 N HA -0.267 4.477 4.740 0.007 0.000 0.193 165 N C 2.013 177.360 175.510 -0.272 0.000 1.037 165 N CA 2.015 54.929 53.050 -0.226 0.000 0.851 165 N CB -0.389 37.966 38.487 -0.220 0.000 1.027 165 N HN 0.517 nan 8.380 nan 0.000 0.422 166 R N 0.552 120.834 120.500 -0.364 0.000 2.096 166 R HA -0.092 4.252 4.340 0.007 0.000 0.240 166 R C 2.540 178.705 176.300 -0.226 0.000 1.139 166 R CA 1.525 57.457 56.100 -0.279 0.000 0.952 166 R CB -0.382 29.751 30.300 -0.278 0.000 0.854 166 R HN 0.303 nan 8.270 nan 0.000 0.436 167 I N 0.982 121.357 120.570 -0.326 0.000 2.194 167 I HA -0.339 3.836 4.170 0.007 0.000 0.246 167 I C 2.631 178.480 176.117 -0.447 0.000 1.093 167 I CA 1.839 62.876 61.300 -0.437 0.000 1.355 167 I CB -0.337 37.213 38.000 -0.750 0.000 1.046 167 I HN 0.410 nan 8.210 nan 0.000 0.413 168 S N -0.028 115.408 115.700 -0.440 0.000 2.371 168 S HA -0.184 4.290 4.470 0.007 0.000 0.224 168 S C 2.136 176.731 174.600 -0.009 0.000 1.029 168 S CA 1.564 59.652 58.200 -0.187 0.000 0.978 168 S CB -0.952 62.256 63.200 0.014 0.000 0.833 168 S HN 0.584 nan 8.310 nan 0.000 0.466 169 T N -0.298 114.223 114.554 -0.055 0.000 2.857 169 T HA 0.059 4.413 4.350 0.007 0.000 0.266 169 T C 1.986 176.696 174.700 0.017 0.000 1.048 169 T CA 0.872 62.961 62.100 -0.017 0.000 1.139 169 T CB -0.518 68.304 68.868 -0.076 0.000 0.874 169 T HN 0.449 nan 8.240 nan 0.000 0.455 170 R N 0.095 120.601 120.500 0.011 0.000 2.081 170 R HA -0.059 4.285 4.340 0.007 0.000 0.235 170 R C 2.509 178.866 176.300 0.095 0.000 1.131 170 R CA 1.782 57.914 56.100 0.052 0.000 0.960 170 R CB -0.420 29.914 30.300 0.056 0.000 0.856 170 R HN 0.433 nan 8.270 nan 0.000 0.436 171 M N 0.440 120.113 119.600 0.121 0.000 2.065 171 M HA -0.146 4.338 4.480 0.007 0.000 0.259 171 M C 1.724 178.150 176.300 0.210 0.000 1.069 171 M CA 1.626 57.053 55.300 0.210 0.000 1.110 171 M CB -0.338 32.456 32.600 0.323 0.000 1.328 171 M HN 0.178 nan 8.290 nan 0.000 0.405 172 L N -0.364 120.986 121.223 0.213 0.000 2.046 172 L HA -0.123 4.221 4.340 0.007 0.000 0.208 172 L C 2.398 179.383 176.870 0.191 0.000 1.077 172 L CA 1.914 56.898 54.840 0.241 0.000 0.747 172 L CB -0.830 41.384 42.059 0.259 0.000 0.896 172 L HN 0.416 nan 8.230 nan 0.000 0.432 173 M N -1.476 118.193 119.600 0.115 0.000 2.156 173 M HA -0.186 4.298 4.480 0.007 0.000 0.264 173 M C 2.012 178.368 176.300 0.094 0.000 1.067 173 M CA 1.535 56.874 55.300 0.066 0.000 1.131 173 M CB -0.555 32.030 32.600 -0.026 0.000 1.368 173 M HN 0.339 nan 8.290 nan 0.000 0.416 174 N N -0.306 118.450 118.700 0.092 0.000 2.120 174 N HA -0.207 4.537 4.740 0.007 0.000 0.188 174 N C 1.803 177.370 175.510 0.096 0.000 1.024 174 N CA 0.803 53.904 53.050 0.084 0.000 0.852 174 N CB -0.023 38.515 38.487 0.085 0.000 1.003 174 N HN 0.203 nan 8.380 nan 0.000 0.424 175 Q N 0.675 120.553 119.800 0.130 0.000 2.077 175 Q HA -0.207 4.137 4.340 0.007 0.000 0.206 175 Q C 1.757 177.814 176.000 0.095 0.000 0.989 175 Q CA 1.686 57.559 55.803 0.115 0.000 0.853 175 Q CB -0.581 28.271 28.738 0.189 0.000 0.907 175 Q HN 0.525 nan 8.270 nan 0.000 0.418 176 H N -0.808 118.326 119.070 0.106 0.000 2.326 176 H HA 0.008 4.568 4.556 0.007 0.000 0.301 176 H C 1.911 177.344 175.328 0.175 0.000 1.081 176 H CA 1.745 57.928 56.048 0.225 0.000 1.334 176 H CB -0.078 29.834 29.762 0.250 0.000 1.385 176 H HN 0.235 nan 8.280 nan 0.000 0.504 177 I N 0.072 120.775 120.570 0.222 0.000 2.163 177 I HA -0.294 3.880 4.170 0.007 0.000 0.243 177 I C 1.993 178.115 176.117 0.008 0.000 1.085 177 I CA 1.297 62.660 61.300 0.104 0.000 1.347 177 I CB -0.236 37.792 38.000 0.047 0.000 1.044 177 I HN 0.278 nan 8.210 nan 0.000 0.408 178 L N -0.062 121.147 121.223 -0.023 0.000 2.395 178 L HA -0.073 4.271 4.340 0.007 0.000 0.218 178 L C 2.222 178.998 176.870 -0.157 0.000 1.130 178 L CA 0.827 55.629 54.840 -0.064 0.000 0.826 178 L CB -0.156 41.884 42.059 -0.032 0.000 0.941 178 L HN 0.259 nan 8.230 nan 0.000 0.451 179 I N -1.922 118.466 120.570 -0.304 0.000 2.628 179 I HA -0.102 4.072 4.170 0.007 0.000 0.255 179 I C 1.543 177.253 176.117 -0.678 0.000 1.119 179 I CA 1.083 62.017 61.300 -0.610 0.000 1.448 179 I CB 0.098 37.474 38.000 -1.040 0.000 1.133 179 I HN 0.079 nan 8.210 nan 0.000 0.438 180 F N 0.544 120.398 119.950 -0.161 0.000 2.717 180 F HA 0.155 4.687 4.527 0.007 0.000 0.297 180 F C 1.693 177.442 175.800 -0.084 0.000 1.113 180 F CA -0.461 57.439 58.000 -0.167 0.000 1.319 180 F CB 0.034 38.833 39.000 -0.335 0.000 1.097 180 F HN -0.108 nan 8.300 nan 0.000 0.595 181 S N 0.416 116.161 115.700 0.074 0.000 2.584 181 S HA -0.011 4.463 4.470 0.007 0.000 0.270 181 S C 0.899 175.514 174.600 0.025 0.000 1.346 181 S CA -0.532 57.701 58.200 0.055 0.000 1.018 181 S CB 0.766 63.985 63.200 0.031 0.000 0.899 181 S HN 0.156 nan 8.310 nan 0.000 0.542 182 D N 1.398 121.811 120.400 0.022 0.000 2.149 182 D HA -0.047 4.598 4.640 0.007 0.000 0.201 182 D C 1.860 178.157 176.300 -0.005 0.000 0.972 182 D CA 1.804 55.809 54.000 0.008 0.000 0.835 182 D CB -0.246 40.559 40.800 0.008 0.000 0.966 182 D HN 0.724 nan 8.370 nan 0.000 0.476 183 S N -0.668 115.028 115.700 -0.007 0.000 2.524 183 S HA 0.087 4.561 4.470 0.007 0.000 0.222 183 S C 0.759 175.346 174.600 -0.022 0.000 1.040 183 S CA -0.362 57.829 58.200 -0.015 0.000 0.915 183 S CB 0.524 63.716 63.200 -0.014 0.000 0.831 183 S HN 0.093 nan 8.310 nan 0.000 0.492 184 Q N 2.140 121.927 119.800 -0.021 0.000 2.508 184 Q HA 0.337 4.681 4.340 0.007 0.000 0.247 184 Q C -0.257 175.722 176.000 -0.035 0.000 1.047 184 Q CA -0.094 55.692 55.803 -0.028 0.000 0.783 184 Q CB 0.952 29.675 28.738 -0.025 0.000 1.172 184 Q HN 0.498 nan 8.270 nan 0.000 0.515 185 T N -2.209 112.319 114.554 -0.043 0.000 3.069 185 T HA 0.328 4.682 4.350 0.007 0.000 0.252 185 T C 0.958 175.620 174.700 -0.062 0.000 1.053 185 T CA 0.311 62.377 62.100 -0.057 0.000 0.964 185 T CB 0.311 69.146 68.868 -0.055 0.000 1.005 185 T HN 0.767 nan 8.240 nan 0.000 0.532 186 G N 1.934 110.700 108.800 -0.056 0.000 2.894 186 G HA2 -0.235 3.729 3.960 0.007 0.000 0.247 186 G HA3 -0.235 3.729 3.960 0.007 0.000 0.247 186 G C -0.574 174.260 174.900 -0.110 0.000 1.442 186 G CA -0.584 44.478 45.100 -0.064 0.000 0.897 186 G HN 0.642 nan 8.290 nan 0.000 0.550 187 N N 1.458 120.040 118.700 -0.196 0.000 2.411 187 N HA 0.346 5.091 4.740 0.007 0.000 0.261 187 N C -1.068 174.311 175.510 -0.219 0.000 1.248 187 N CA -0.436 52.424 53.050 -0.317 0.000 0.885 187 N CB 1.019 38.995 38.487 -0.853 0.000 1.062 187 N HN 0.267 nan 8.380 nan 0.000 0.471 188 P HA -0.111 nan 4.420 nan 0.000 0.225 188 P C 0.606 177.872 177.300 -0.055 0.000 1.148 188 P CA 0.997 64.046 63.100 -0.084 0.000 0.779 188 P CB 0.222 31.883 31.700 -0.066 0.000 0.780 189 S N -3.089 112.569 115.700 -0.071 0.000 2.575 189 S HA 0.028 4.502 4.470 0.007 0.000 0.215 189 S C 0.602 175.316 174.600 0.190 0.000 0.966 189 S CA -0.185 58.039 58.200 0.040 0.000 0.911 189 S CB -0.928 62.309 63.200 0.060 0.000 0.780 189 S HN 0.263 nan 8.310 nan 0.000 0.514 190 H N -0.047 119.008 119.070 -0.025 0.000 2.595 190 H HA 0.525 5.086 4.556 0.007 0.000 0.346 190 H C -0.692 174.609 175.328 -0.046 0.000 1.181 190 H CA -1.229 54.801 56.048 -0.029 0.000 1.242 190 H CB 1.394 31.139 29.762 -0.029 0.000 1.652 190 H HN 0.158 nan 8.280 nan 0.000 0.548 191 I N 2.674 123.291 120.570 0.078 0.000 2.307 191 I HA 0.161 4.336 4.170 0.007 0.000 0.287 191 I C 1.041 177.158 176.117 0.001 0.000 1.054 191 I CA 0.112 61.414 61.300 0.005 0.000 1.218 191 I CB 0.510 38.500 38.000 -0.016 0.000 1.398 191 I HN 1.021 nan 8.210 nan 0.000 0.475 192 G N 5.394 114.183 108.800 -0.019 0.000 2.565 192 G HA2 -0.372 3.592 3.960 0.007 0.000 0.295 192 G HA3 -0.372 3.592 3.960 0.007 0.000 0.295 192 G C 0.707 175.639 174.900 0.054 0.000 1.165 192 G CA 0.577 45.673 45.100 -0.007 0.000 0.977 192 G HN 0.734 nan 8.290 nan 0.000 0.546 193 S N -0.053 115.672 115.700 0.041 0.000 2.557 193 S HA 0.572 5.046 4.470 0.007 0.000 0.223 193 S C 0.777 175.327 174.600 -0.084 0.000 0.969 193 S CA 0.314 58.542 58.200 0.047 0.000 0.927 193 S CB 0.053 63.265 63.200 0.020 0.000 0.806 193 S HN 0.672 nan 8.310 nan 0.000 0.489 194 I N 2.517 123.020 120.570 -0.111 0.000 2.331 194 I HA 0.311 4.485 4.170 0.007 0.000 0.292 194 I C -0.405 175.531 176.117 -0.302 0.000 0.998 194 I CA -0.554 60.615 61.300 -0.218 0.000 1.267 194 I CB 1.059 38.960 38.000 -0.164 0.000 1.386 194 I HN 0.069 nan 8.210 nan 0.000 0.476 195 D N 9.326 129.471 120.400 -0.425 0.000 2.396 195 D HA 0.211 4.855 4.640 0.007 0.000 0.225 195 D C -1.735 174.494 176.300 -0.117 0.000 1.121 195 D CA -2.188 51.595 54.000 -0.361 0.000 0.853 195 D CB 1.624 42.185 40.800 -0.397 0.000 1.043 195 D HN 0.210 nan 8.370 nan 0.000 0.500 196 P HA -0.013 nan 4.420 nan 0.000 0.234 196 P C 0.097 177.404 177.300 0.011 0.000 1.167 196 P CA 0.514 63.596 63.100 -0.030 0.000 0.763 196 P CB 0.311 31.996 31.700 -0.025 0.000 0.835 197 N N -0.705 118.018 118.700 0.039 0.000 2.646 197 N HA 0.060 4.804 4.740 0.007 0.000 0.303 197 N C -1.333 174.330 175.510 0.256 0.000 1.921 197 N CA -0.489 52.617 53.050 0.092 0.000 0.872 197 N CB -0.689 37.793 38.487 -0.009 0.000 1.327 197 N HN -0.134 nan 8.380 nan 0.000 0.492 198 C N 1.032 120.448 119.300 0.193 0.000 2.627 198 C HA 0.220 4.684 4.460 0.007 0.000 0.404 198 C C 0.538 175.598 174.990 0.116 0.000 1.340 198 C CA -0.546 58.564 59.018 0.152 0.000 1.758 198 C CB -0.795 27.014 27.740 0.115 0.000 2.501 198 C HN 0.510 nan 8.230 nan 0.000 0.588 199 D N 5.103 125.542 120.400 0.065 0.000 2.416 199 D HA 0.078 4.722 4.640 0.007 0.000 0.240 199 D C 1.102 177.324 176.300 -0.129 0.000 1.250 199 D CA 0.127 53.981 54.000 -0.244 0.000 0.967 199 D CB 0.816 41.597 40.800 -0.031 0.000 1.059 199 D HN 0.508 nan 8.370 nan 0.000 0.512 200 V N 3.855 123.670 119.914 -0.166 0.000 2.255 200 V HA -0.262 3.862 4.120 0.007 0.000 0.247 200 V C 2.552 178.626 176.094 -0.033 0.000 1.051 200 V CA 1.301 63.561 62.300 -0.068 0.000 1.018 200 V CB -0.361 31.416 31.823 -0.077 0.000 0.641 200 V HN 0.478 nan 8.190 nan 0.000 0.445 201 V N 0.338 120.216 119.914 -0.060 0.000 2.332 201 V HA -0.302 3.822 4.120 0.007 0.000 0.248 201 V C 2.707 178.810 176.094 0.015 0.000 1.055 201 V CA 2.068 64.357 62.300 -0.019 0.000 1.038 201 V CB -1.259 30.544 31.823 -0.034 0.000 0.651 201 V HN 0.578 nan 8.190 nan 0.000 0.450 202 A N -0.202 122.623 122.820 0.008 0.000 1.908 202 A HA -0.174 4.150 4.320 0.007 0.000 0.218 202 A C 2.382 180.024 177.584 0.097 0.000 1.181 202 A CA 2.203 54.270 52.037 0.049 0.000 0.627 202 A CB -0.687 18.344 19.000 0.052 0.000 0.818 202 A HN 0.364 nan 8.150 nan 0.000 0.445 203 V N -0.422 119.557 119.914 0.107 0.000 2.427 203 V HA -0.206 3.918 4.120 0.007 0.000 0.248 203 V C 2.553 178.753 176.094 0.177 0.000 1.051 203 V CA 1.758 64.162 62.300 0.173 0.000 1.048 203 V CB -0.742 31.180 31.823 0.166 0.000 0.666 203 V HN 0.372 nan 8.190 nan 0.000 0.456 204 V N -0.163 119.842 119.914 0.152 0.000 2.287 204 V HA -0.363 3.761 4.120 0.007 0.000 0.248 204 V C 2.462 178.700 176.094 0.240 0.000 1.053 204 V CA 2.316 64.762 62.300 0.243 0.000 1.027 204 V CB -0.738 31.201 31.823 0.194 0.000 0.646 204 V HN 0.586 nan 8.190 nan 0.000 0.447 205 Q N -0.841 119.036 119.800 0.127 0.000 2.167 205 Q HA -0.197 4.147 4.340 0.007 0.000 0.202 205 Q C 2.206 178.289 176.000 0.138 0.000 0.970 205 Q CA 1.533 57.386 55.803 0.082 0.000 0.855 205 Q CB -0.236 28.522 28.738 0.034 0.000 0.911 205 Q HN 0.690 nan 8.270 nan 0.000 0.438 206 D N 0.358 120.857 120.400 0.166 0.000 2.097 206 D HA -0.136 4.508 4.640 0.007 0.000 0.197 206 D C 1.783 178.217 176.300 0.223 0.000 0.984 206 D CA 1.318 55.443 54.000 0.207 0.000 0.826 206 D CB 0.192 41.154 40.800 0.271 0.000 0.973 206 D HN 0.198 nan 8.370 nan 0.000 0.460 207 A N 0.237 123.123 122.820 0.110 0.000 1.933 207 A HA -0.153 4.171 4.320 0.007 0.000 0.218 207 A C 2.176 179.905 177.584 0.242 0.000 1.175 207 A CA 0.958 52.962 52.037 -0.055 0.000 0.628 207 A CB -1.165 17.739 19.000 -0.160 0.000 0.814 207 A HN 0.381 nan 8.150 nan 0.000 0.444 208 F N 0.676 120.613 119.950 -0.022 0.000 2.069 208 F HA -0.201 4.330 4.527 0.007 0.000 0.298 208 F C 2.439 178.151 175.800 -0.147 0.000 1.113 208 F CA 2.214 59.940 58.000 -0.457 0.000 1.214 208 F CB -0.021 38.531 39.000 -0.748 0.000 0.978 208 F HN 0.193 nan 8.300 nan 0.000 0.474 209 E N -0.034 120.254 120.200 0.146 0.000 2.058 209 E HA -0.241 4.113 4.350 0.007 0.000 0.194 209 E C 2.448 179.096 176.600 0.080 0.000 0.997 209 E CA 1.548 58.013 56.400 0.109 0.000 0.801 209 E CB -0.998 28.774 29.700 0.120 0.000 0.746 209 E HN 0.477 nan 8.360 nan 0.000 0.450 210 C N -0.023 119.355 119.300 0.130 0.000 2.413 210 C HA -0.119 4.345 4.460 0.007 0.000 0.276 210 C C 3.083 178.248 174.990 0.293 0.000 1.236 210 C CA 1.293 60.408 59.018 0.163 0.000 1.735 210 C CB -1.075 26.709 27.740 0.074 0.000 2.031 210 C HN 0.432 nan 8.230 nan 0.000 0.474 211 S N -0.164 115.714 115.700 0.298 0.000 2.368 211 S HA -0.154 4.320 4.470 0.007 0.000 0.225 211 S C 2.247 176.812 174.600 -0.058 0.000 1.030 211 S CA 1.057 59.324 58.200 0.112 0.000 0.999 211 S CB -0.410 62.733 63.200 -0.094 0.000 0.844 211 S HN 0.526 nan 8.310 nan 0.000 0.459 212 R N 0.242 120.632 120.500 -0.183 0.000 2.103 212 R HA -0.081 4.263 4.340 0.007 0.000 0.242 212 R C 2.361 178.667 176.300 0.010 0.000 1.142 212 R CA 1.853 57.879 56.100 -0.123 0.000 0.960 212 R CB -0.576 29.680 30.300 -0.073 0.000 0.858 212 R HN 0.507 nan 8.270 nan 0.000 0.439 213 M N 0.048 119.678 119.600 0.050 0.000 2.117 213 M HA -0.187 4.297 4.480 0.007 0.000 0.262 213 M C 2.406 178.768 176.300 0.103 0.000 1.065 213 M CA 1.403 56.747 55.300 0.074 0.000 1.114 213 M CB -0.200 32.446 32.600 0.076 0.000 1.361 213 M HN 0.180 nan 8.290 nan 0.000 0.408 214 L N -0.791 120.520 121.223 0.148 0.000 2.027 214 L HA -0.288 4.056 4.340 0.007 0.000 0.206 214 L C 2.766 179.778 176.870 0.238 0.000 1.074 214 L CA 1.252 56.214 54.840 0.203 0.000 0.745 214 L CB -0.397 41.803 42.059 0.234 0.000 0.898 214 L HN 0.515 nan 8.230 nan 0.000 0.433 215 C N 0.516 119.917 119.300 0.169 0.000 2.398 215 C HA -0.239 4.225 4.460 0.007 0.000 0.276 215 C C 2.374 177.514 174.990 0.250 0.000 1.222 215 C CA 1.507 60.659 59.018 0.223 0.000 1.746 215 C CB -0.825 26.982 27.740 0.111 0.000 2.039 215 C HN 0.556 nan 8.230 nan 0.000 0.470 216 D N -0.281 120.208 120.400 0.148 0.000 2.182 216 D HA -0.137 4.507 4.640 0.007 0.000 0.201 216 D C 2.361 178.711 176.300 0.085 0.000 0.986 216 D CA 1.237 55.307 54.000 0.116 0.000 0.847 216 D CB -0.499 40.344 40.800 0.072 0.000 0.942 216 D HN 0.700 nan 8.370 nan 0.000 0.467 217 Q N -1.115 118.724 119.800 0.065 0.000 2.172 217 Q HA -0.096 4.248 4.340 0.007 0.000 0.200 217 Q C 1.545 177.443 176.000 -0.170 0.000 0.964 217 Q CA 0.726 56.499 55.803 -0.050 0.000 0.855 217 Q CB 0.032 28.720 28.738 -0.084 0.000 0.918 217 Q HN 0.438 nan 8.270 nan 0.000 0.444 218 Y N -2.180 118.023 120.300 -0.162 0.000 2.448 218 Y HA -0.091 4.464 4.550 0.009 0.000 0.289 218 Y C 0.813 176.393 175.900 -0.534 0.000 1.114 218 Y CA 0.790 58.639 58.100 -0.419 0.000 1.235 218 Y CB 0.549 38.595 38.460 -0.691 0.000 1.045 218 Y HN 0.113 nan 8.280 nan 0.000 0.554 219 Y N -2.732 117.648 120.300 0.134 0.000 2.448 219 Y HA 0.314 4.867 4.550 0.006 0.000 0.257 219 Y C 0.748 176.671 175.900 0.038 0.000 1.089 219 Y CA -0.779 57.366 58.100 0.073 0.000 1.245 219 Y CB 0.453 38.948 38.460 0.058 0.000 1.282 219 Y HN -0.227 nan 8.280 nan 0.000 0.529 220 L N 1.774 123.091 121.223 0.157 0.000 3.843 220 L HA -0.282 4.062 4.340 0.007 0.000 0.411 220 L C -0.190 176.739 176.870 0.098 0.000 1.205 220 L CA 1.090 55.988 54.840 0.096 0.000 0.945 220 L CB -1.846 40.252 42.059 0.064 0.000 1.929 220 L HN 0.434 nan 8.230 nan 0.000 0.934 221 S N -2.011 113.766 115.700 0.127 0.000 2.595 221 S HA 0.797 5.271 4.470 0.007 0.000 0.270 221 S C -0.556 174.091 174.600 0.078 0.000 1.145 221 S CA -0.009 58.238 58.200 0.079 0.000 0.825 221 S CB 2.705 65.935 63.200 0.049 0.000 1.107 221 S HN 0.585 nan 8.310 nan 0.000 0.461 222 S N -0.258 115.467 115.700 0.042 0.000 2.570 222 S HA 0.870 5.344 4.470 0.007 0.000 0.270 222 S C -3.455 171.160 174.600 0.025 0.000 1.149 222 S CA -1.265 56.944 58.200 0.015 0.000 0.837 222 S CB 0.800 64.004 63.200 0.006 0.000 1.124 222 S HN 0.641 nan 8.310 nan 0.000 0.465 223 P HA 0.398 nan 4.420 nan 0.000 0.274 223 P C -0.520 176.887 177.300 0.178 0.000 1.237 223 P CA -0.401 62.744 63.100 0.076 0.000 0.793 223 P CB 0.325 32.072 31.700 0.079 0.000 0.977 224 E N -0.076 120.196 120.200 0.119 0.000 2.345 224 E HA 0.315 4.669 4.350 0.007 0.000 0.259 224 E C -0.560 176.004 176.600 -0.060 0.000 1.117 224 E CA -0.766 55.680 56.400 0.077 0.000 0.913 224 E CB 0.486 30.185 29.700 -0.001 0.000 1.057 224 E HN 0.231 nan 8.360 nan 0.000 0.432 225 L N 2.148 123.104 121.223 -0.445 0.000 2.275 225 L HA 0.270 4.615 4.340 0.007 0.000 0.288 225 L C -0.750 175.892 176.870 -0.381 0.000 1.046 225 L CA 0.017 54.370 54.840 -0.812 0.000 0.805 225 L CB 0.710 41.777 42.059 -1.654 0.000 1.193 225 L HN 0.322 nan 8.230 nan 0.000 0.426 226 K N 5.638 125.890 120.400 -0.247 0.000 2.425 226 K HA 0.553 4.877 4.320 0.007 0.000 0.259 226 K C -1.698 174.828 176.600 -0.124 0.000 0.978 226 K CA -0.553 55.647 56.287 -0.145 0.000 0.883 226 K CB 1.066 33.518 32.500 -0.079 0.000 1.110 226 K HN 0.735 nan 8.250 nan 0.000 0.436 227 L N 3.225 124.378 121.223 -0.118 0.000 2.329 227 L HA 0.566 4.910 4.340 0.007 0.000 0.279 227 L C -1.108 175.734 176.870 -0.048 0.000 1.014 227 L CA -0.036 54.754 54.840 -0.083 0.000 0.814 227 L CB 2.306 44.306 42.059 -0.099 0.000 1.257 227 L HN 0.671 nan 8.230 nan 0.000 0.424 228 T N 3.647 118.183 114.554 -0.028 0.000 2.893 228 T HA 0.566 4.921 4.350 0.007 0.000 0.291 228 T C -1.473 173.219 174.700 -0.013 0.000 1.028 228 T CA -0.566 61.523 62.100 -0.019 0.000 0.995 228 T CB 1.721 70.581 68.868 -0.013 0.000 1.051 228 T HN 0.705 nan 8.240 nan 0.000 0.470 229 Q N 0.277 120.071 119.800 -0.010 0.000 2.379 229 Q HA 0.808 5.153 4.340 0.007 0.000 0.278 229 Q C -1.998 174.002 176.000 -0.001 0.000 1.068 229 Q CA -1.030 54.769 55.803 -0.007 0.000 0.816 229 Q CB 2.070 30.803 28.738 -0.008 0.000 1.387 229 Q HN 0.367 nan 8.270 nan 0.000 0.413 230 V N 2.489 122.403 119.914 -0.001 0.000 2.488 230 V HA 0.324 4.449 4.120 0.007 0.000 0.293 230 V C -1.025 175.073 176.094 0.006 0.000 1.027 230 V CA -0.772 61.529 62.300 0.003 0.000 0.862 230 V CB 1.678 33.499 31.823 -0.002 0.000 1.008 230 V HN 0.854 nan 8.190 nan 0.000 0.428 231 N N 3.534 122.245 118.700 0.019 0.000 2.558 231 N HA 0.276 5.020 4.740 0.007 0.000 0.233 231 N C 1.093 176.605 175.510 0.003 0.000 1.038 231 N CA 0.416 53.481 53.050 0.026 0.000 0.934 231 N CB 1.897 40.426 38.487 0.070 0.000 1.175 231 N HN 0.744 nan 8.380 nan 0.000 0.512 232 G N 2.873 111.657 108.800 -0.027 0.000 2.430 232 G HA2 -0.170 3.794 3.960 0.007 0.000 0.216 232 G HA3 -0.170 3.794 3.960 0.007 0.000 0.216 232 G C 1.383 176.208 174.900 -0.125 0.000 1.146 232 G CA 0.340 45.408 45.100 -0.054 0.000 0.793 232 G HN 0.521 nan 8.290 nan 0.000 0.537 233 K N -0.654 119.638 120.400 -0.181 0.000 2.001 233 K HA 0.034 4.358 4.320 0.007 0.000 0.208 233 K C -0.346 175.768 176.600 -0.810 0.000 1.048 233 K CA 0.674 56.683 56.287 -0.464 0.000 0.932 233 K CB -0.096 32.156 32.500 -0.415 0.000 0.715 233 K HN 0.296 nan 8.250 nan 0.000 0.437 234 F N 1.107 121.067 119.950 0.018 0.000 2.610 234 F HA 0.336 4.868 4.527 0.007 0.000 0.355 234 F C -2.364 173.445 175.800 0.016 0.000 1.140 234 F CA -2.756 55.253 58.000 0.016 0.000 1.037 234 F CB 1.441 40.452 39.000 0.017 0.000 1.287 234 F HN -0.107 nan 8.300 nan 0.000 0.457 235 P HA -0.004 nan 4.420 nan 0.000 0.266 235 P C 0.088 177.443 177.300 0.092 0.000 1.186 235 P CA 0.829 63.980 63.100 0.086 0.000 0.767 235 P CB 0.510 32.244 31.700 0.057 0.000 0.820 236 D N -1.483 118.956 120.400 0.066 0.000 2.978 236 D HA -0.160 4.484 4.640 0.007 0.000 0.205 236 D C -0.015 176.325 176.300 0.066 0.000 1.093 236 D CA 1.370 55.404 54.000 0.056 0.000 1.006 236 D CB -0.862 39.964 40.800 0.044 0.000 1.116 236 D HN 0.444 nan 8.370 nan 0.000 0.419 237 Q N 0.087 119.946 119.800 0.097 0.000 2.259 237 Q HA 0.423 4.767 4.340 0.007 0.000 0.246 237 Q C -2.147 173.920 176.000 0.112 0.000 0.920 237 Q CA -1.477 54.388 55.803 0.103 0.000 0.895 237 Q CB 0.369 29.188 28.738 0.135 0.000 1.220 237 Q HN 0.102 nan 8.270 nan 0.000 0.439 238 P HA -0.001 nan 4.420 nan 0.000 0.266 238 P C -0.396 177.011 177.300 0.178 0.000 1.186 238 P CA 0.519 63.705 63.100 0.143 0.000 0.767 238 P CB 0.390 32.234 31.700 0.240 0.000 0.820 239 I N 3.720 124.308 120.570 0.030 0.000 2.297 239 I HA 0.210 4.384 4.170 0.007 0.000 0.291 239 I C 0.237 176.271 176.117 -0.138 0.000 1.033 239 I CA -0.155 61.151 61.300 0.011 0.000 1.253 239 I CB 0.162 38.150 38.000 -0.021 0.000 1.396 239 I HN 0.417 nan 8.210 nan 0.000 0.476 240 H N 6.057 125.160 119.070 0.055 0.000 2.717 240 H HA 0.687 5.248 4.556 0.007 0.000 0.366 240 H C -0.552 174.807 175.328 0.052 0.000 1.132 240 H CA -0.579 55.498 56.048 0.049 0.000 1.180 240 H CB 2.152 31.941 29.762 0.044 0.000 1.678 240 H HN 0.492 nan 8.280 nan 0.000 0.537 241 I N -1.542 119.121 120.570 0.154 0.000 3.174 241 I HA 0.591 4.765 4.170 0.007 0.000 0.313 241 I C -0.986 175.204 176.117 0.121 0.000 1.155 241 I CA -1.519 59.854 61.300 0.122 0.000 0.977 241 I CB 1.945 39.997 38.000 0.087 0.000 1.248 241 I HN 0.225 nan 8.210 nan 0.000 0.453 242 V N 3.168 123.133 119.914 0.085 0.000 2.446 242 V HA 0.210 4.334 4.120 0.007 0.000 0.276 242 V C -0.666 175.487 176.094 0.099 0.000 1.030 242 V CA 0.655 62.979 62.300 0.039 0.000 1.033 242 V CB -0.641 31.163 31.823 -0.031 0.000 0.993 242 V HN 0.622 nan 8.190 nan 0.000 0.477 243 Y N 2.763 123.002 120.300 -0.101 0.000 2.656 243 Y HA 0.505 5.059 4.550 0.007 0.000 0.334 243 Y C -0.488 175.336 175.900 -0.127 0.000 1.179 243 Y CA -0.939 57.103 58.100 -0.096 0.000 1.050 243 Y CB 2.018 40.468 38.460 -0.018 0.000 1.308 243 Y HN 0.239 nan 8.280 nan 0.000 0.456 244 V N 5.972 125.489 119.914 -0.661 0.000 2.339 244 V HA 0.205 4.329 4.120 0.007 0.000 0.261 244 V C -1.856 174.220 176.094 -0.029 0.000 1.058 244 V CA -1.150 60.914 62.300 -0.393 0.000 0.897 244 V CB 0.867 32.287 31.823 -0.672 0.000 1.052 244 V HN 0.648 nan 8.190 nan 0.000 0.480 245 P HA -0.113 nan 4.420 nan 0.000 0.220 245 P C 1.727 179.138 177.300 0.185 0.000 1.148 245 P CA 1.357 64.547 63.100 0.150 0.000 0.803 245 P CB 0.248 32.009 31.700 0.102 0.000 0.782 246 S N -0.852 114.920 115.700 0.120 0.000 2.383 246 S HA -0.209 4.266 4.470 0.007 0.000 0.227 246 S C 1.958 176.676 174.600 0.198 0.000 1.026 246 S CA 0.921 59.205 58.200 0.140 0.000 0.981 246 S CB -1.839 61.427 63.200 0.110 0.000 0.818 246 S HN 0.310 nan 8.310 nan 0.000 0.472 247 H N 0.535 119.601 119.070 -0.007 0.000 2.326 247 H HA 0.021 4.582 4.556 0.008 0.000 0.301 247 H C 2.272 177.644 175.328 0.074 0.000 1.081 247 H CA 1.209 57.149 56.048 -0.180 0.000 1.334 247 H CB -0.182 29.617 29.762 0.060 0.000 1.385 247 H HN 0.300 nan 8.280 nan 0.000 0.504 248 L N 0.717 122.196 121.223 0.427 0.000 2.012 248 L HA -0.213 4.131 4.340 0.007 0.000 0.210 248 L C 2.427 179.430 176.870 0.222 0.000 1.073 248 L CA 1.782 56.795 54.840 0.287 0.000 0.748 248 L CB -0.993 41.202 42.059 0.226 0.000 0.891 248 L HN 0.362 nan 8.230 nan 0.000 0.431 249 H N -1.525 117.640 119.070 0.159 0.000 2.353 249 H HA -0.248 4.313 4.556 0.007 0.000 0.300 249 H C 2.218 177.652 175.328 0.177 0.000 1.090 249 H CA 2.208 58.346 56.048 0.150 0.000 1.327 249 H CB -0.012 29.818 29.762 0.114 0.000 1.383 249 H HN 0.679 nan 8.280 nan 0.000 0.508 250 H N -0.130 119.059 119.070 0.198 0.000 2.353 250 H HA -0.072 4.488 4.556 0.006 0.000 0.300 250 H C 2.611 178.026 175.328 0.146 0.000 1.090 250 H CA 1.925 58.073 56.048 0.168 0.000 1.327 250 H CB 0.006 29.740 29.762 -0.046 0.000 1.383 250 H HN 0.247 nan 8.280 nan 0.000 0.508 251 M N -0.208 119.552 119.600 0.266 0.000 2.086 251 M HA -0.159 4.325 4.480 0.007 0.000 0.261 251 M C 2.258 178.546 176.300 -0.021 0.000 1.067 251 M CA 1.494 56.899 55.300 0.174 0.000 1.116 251 M CB -0.164 32.532 32.600 0.160 0.000 1.348 251 M HN 0.309 nan 8.290 nan 0.000 0.407 252 L N -1.122 120.060 121.223 -0.069 0.000 2.056 252 L HA -0.199 4.145 4.340 0.007 0.000 0.207 252 L C 2.497 179.212 176.870 -0.257 0.000 1.078 252 L CA 1.138 55.802 54.840 -0.294 0.000 0.749 252 L CB -0.743 41.211 42.059 -0.176 0.000 0.901 252 L HN 0.199 nan 8.230 nan 0.000 0.433 253 F N 1.229 121.060 119.950 -0.199 0.000 2.095 253 F HA -0.223 4.309 4.527 0.009 0.000 0.298 253 F C 2.561 178.291 175.800 -0.116 0.000 1.104 253 F CA 1.637 59.573 58.000 -0.106 0.000 1.232 253 F CB -0.184 38.740 39.000 -0.126 0.000 0.987 253 F HN 0.027 nan 8.300 nan 0.000 0.475 254 E N 0.638 120.681 120.200 -0.262 0.000 2.110 254 E HA -0.174 4.180 4.350 0.007 0.000 0.193 254 E C 2.459 178.895 176.600 -0.273 0.000 0.988 254 E CA 1.408 57.615 56.400 -0.322 0.000 0.804 254 E CB -0.705 28.896 29.700 -0.165 0.000 0.745 254 E HN 0.474 nan 8.360 nan 0.000 0.458 255 L N -0.578 120.485 121.223 -0.267 0.000 2.156 255 L HA -0.039 4.305 4.340 0.007 0.000 0.208 255 L C 2.397 179.128 176.870 -0.231 0.000 1.095 255 L CA 0.671 55.351 54.840 -0.268 0.000 0.770 255 L CB -0.380 41.484 42.059 -0.324 0.000 0.914 255 L HN 0.057 nan 8.230 nan 0.000 0.439 256 F N 0.356 120.212 119.950 -0.156 0.000 2.186 256 F HA -0.171 4.360 4.527 0.007 0.000 0.299 256 F C 2.582 178.215 175.800 -0.279 0.000 1.090 256 F CA 0.850 58.735 58.000 -0.191 0.000 1.307 256 F CB -0.118 38.757 39.000 -0.209 0.000 1.019 256 F HN -0.074 nan 8.300 nan 0.000 0.489 257 K N 0.187 120.463 120.400 -0.207 0.000 2.057 257 K HA -0.163 4.161 4.320 0.007 0.000 0.207 257 K C 1.688 178.182 176.600 -0.177 0.000 1.049 257 K CA 1.353 57.476 56.287 -0.272 0.000 0.931 257 K CB -0.292 31.930 32.500 -0.462 0.000 0.714 257 K HN 0.180 nan 8.250 nan 0.000 0.440 258 N N 1.026 119.626 118.700 -0.166 0.000 2.084 258 N HA -0.142 4.603 4.740 0.007 0.000 0.190 258 N C 1.715 177.171 175.510 -0.090 0.000 1.030 258 N CA 1.492 54.464 53.050 -0.129 0.000 0.849 258 N CB -0.426 37.978 38.487 -0.139 0.000 1.012 258 N HN 0.174 nan 8.380 nan 0.000 0.423 259 A N 0.764 123.553 122.820 -0.051 0.000 1.930 259 A HA -0.054 4.271 4.320 0.007 0.000 0.217 259 A C 2.265 179.827 177.584 -0.037 0.000 1.175 259 A CA 1.170 53.198 52.037 -0.015 0.000 0.627 259 A CB -0.396 18.652 19.000 0.080 0.000 0.815 259 A HN 0.201 nan 8.150 nan 0.000 0.443 260 M N -1.538 118.028 119.600 -0.057 0.000 2.156 260 M HA -0.062 4.422 4.480 0.007 0.000 0.264 260 M C 2.398 178.615 176.300 -0.138 0.000 1.067 260 M CA 1.611 56.854 55.300 -0.095 0.000 1.131 260 M CB -0.283 32.243 32.600 -0.123 0.000 1.368 260 M HN 0.495 nan 8.290 nan 0.000 0.416 261 R N 0.834 121.268 120.500 -0.110 0.000 2.083 261 R HA -0.163 4.181 4.340 0.007 0.000 0.237 261 R C 2.105 178.313 176.300 -0.154 0.000 1.137 261 R CA 1.863 57.891 56.100 -0.122 0.000 0.951 261 R CB -0.303 29.967 30.300 -0.050 0.000 0.851 261 R HN 0.346 nan 8.270 nan 0.000 0.434 262 A N 0.068 122.824 122.820 -0.107 0.000 1.902 262 A HA -0.129 4.195 4.320 0.007 0.000 0.217 262 A C 2.210 179.746 177.584 -0.081 0.000 1.181 262 A CA 2.014 54.000 52.037 -0.086 0.000 0.623 262 A CB -0.916 18.033 19.000 -0.085 0.000 0.818 262 A HN 0.489 nan 8.150 nan 0.000 0.443 263 T N -0.285 114.211 114.554 -0.096 0.000 2.674 263 T HA -0.131 4.223 4.350 0.007 0.000 0.265 263 T C 1.905 176.540 174.700 -0.109 0.000 1.039 263 T CA 1.702 63.755 62.100 -0.078 0.000 1.150 263 T CB -0.513 68.314 68.868 -0.068 0.000 0.864 263 T HN 0.145 nan 8.240 nan 0.000 0.427 264 V N 1.565 121.341 119.914 -0.231 0.000 2.343 264 V HA -0.179 3.945 4.120 0.007 0.000 0.247 264 V C 2.470 178.394 176.094 -0.283 0.000 1.051 264 V CA 1.763 63.859 62.300 -0.340 0.000 1.036 264 V CB -0.597 30.807 31.823 -0.699 0.000 0.654 264 V HN 0.561 nan 8.190 nan 0.000 0.451 265 E N -0.883 119.162 120.200 -0.257 0.000 2.152 265 E HA -0.218 4.136 4.350 0.007 0.000 0.192 265 E C 2.164 178.742 176.600 -0.037 0.000 0.983 265 E CA 1.191 57.520 56.400 -0.119 0.000 0.818 265 E CB -0.179 29.486 29.700 -0.059 0.000 0.758 265 E HN 0.714 nan 8.360 nan 0.000 0.467 266 H N 0.980 119.988 119.070 -0.102 0.000 2.389 266 H HA -0.002 4.558 4.556 0.007 0.000 0.299 266 H C 1.272 176.560 175.328 -0.067 0.000 1.081 266 H CA 1.410 57.414 56.048 -0.073 0.000 1.345 266 H CB 0.288 30.002 29.762 -0.079 0.000 1.393 266 H HN 0.007 nan 8.280 nan 0.000 0.520 267 Q N -0.031 119.714 119.800 -0.092 0.000 2.204 267 Q HA 0.016 4.360 4.340 0.007 0.000 0.209 267 Q C 1.399 177.338 176.000 -0.101 0.000 0.861 267 Q CA 0.139 55.871 55.803 -0.119 0.000 0.971 267 Q CB 0.489 29.193 28.738 -0.057 0.000 1.095 267 Q HN 0.733 nan 8.270 nan 0.000 0.486 268 E N -0.065 120.076 120.200 -0.099 0.000 2.209 268 E HA -0.228 4.126 4.350 0.007 0.000 0.196 268 E C 0.965 177.538 176.600 -0.045 0.000 0.993 268 E CA 1.094 57.456 56.400 -0.065 0.000 0.819 268 E CB -0.106 29.567 29.700 -0.044 0.000 0.745 268 E HN 0.125 nan 8.360 nan 0.000 0.477 269 N N 0.341 119.007 118.700 -0.056 0.000 2.251 269 N HA 0.027 4.771 4.740 0.007 0.000 0.217 269 N C -0.637 174.850 175.510 -0.038 0.000 1.124 269 N CA -0.031 52.995 53.050 -0.041 0.000 0.843 269 N CB 0.503 38.964 38.487 -0.044 0.000 1.024 269 N HN 0.137 nan 8.380 nan 0.000 0.501 270 Q N -0.148 119.627 119.800 -0.041 0.000 2.226 270 Q HA 0.295 4.639 4.340 0.007 0.000 0.256 270 Q C -1.517 174.472 176.000 -0.020 0.000 0.962 270 Q CA -1.686 54.099 55.803 -0.030 0.000 0.887 270 Q CB 1.200 29.917 28.738 -0.034 0.000 1.282 270 Q HN 0.125 nan 8.270 nan 0.000 0.449 271 P HA -0.135 nan 4.420 nan 0.000 0.219 271 P C -0.096 177.201 177.300 -0.005 0.000 1.146 271 P CA 1.075 64.171 63.100 -0.007 0.000 0.808 271 P CB 0.325 32.023 31.700 -0.003 0.000 0.779 272 S N -2.688 113.008 115.700 -0.008 0.000 2.643 272 S HA 0.480 4.954 4.470 0.007 0.000 0.270 272 S C -1.129 173.464 174.600 -0.011 0.000 1.166 272 S CA -1.098 57.098 58.200 -0.006 0.000 0.815 272 S CB 0.716 63.915 63.200 -0.001 0.000 1.139 272 S HN -0.122 nan 8.310 nan 0.000 0.472 273 L N 2.583 123.800 121.223 -0.009 0.000 2.265 273 L HA 0.422 4.767 4.340 0.007 0.000 0.288 273 L C 0.673 177.539 176.870 -0.006 0.000 1.058 273 L CA -0.646 54.186 54.840 -0.013 0.000 0.809 273 L CB 1.286 43.337 42.059 -0.013 0.000 1.179 273 L HN 0.985 nan 8.230 nan 0.000 0.429 274 T N 1.801 116.349 114.554 -0.011 0.000 2.908 274 T HA 0.146 4.500 4.350 0.007 0.000 0.301 274 T C -2.024 172.674 174.700 -0.003 0.000 1.019 274 T CA -1.227 60.867 62.100 -0.010 0.000 1.152 274 T CB 0.242 69.096 68.868 -0.024 0.000 0.966 274 T HN 0.377 nan 8.240 nan 0.000 0.540 275 P HA 0.240 nan 4.420 nan 0.000 0.271 275 P C -0.191 177.124 177.300 0.026 0.000 1.233 275 P CA -0.560 62.548 63.100 0.012 0.000 0.789 275 P CB 0.653 32.343 31.700 -0.017 0.000 0.951 276 I N 1.179 121.791 120.570 0.070 0.000 2.371 276 I HA 0.137 4.311 4.170 0.007 0.000 0.290 276 I C 1.037 177.179 176.117 0.042 0.000 1.028 276 I CA -0.113 61.251 61.300 0.106 0.000 1.345 276 I CB 0.342 38.509 38.000 0.279 0.000 1.407 276 I HN 0.213 nan 8.210 nan 0.000 0.501 277 E N 5.733 125.961 120.200 0.047 0.000 2.197 277 E HA 0.481 4.835 4.350 0.007 0.000 0.281 277 E C -1.159 175.475 176.600 0.056 0.000 0.995 277 E CA -0.605 55.808 56.400 0.022 0.000 0.808 277 E CB 2.332 32.045 29.700 0.021 0.000 1.093 277 E HN 0.261 nan 8.360 nan 0.000 0.394 278 V N 4.616 124.551 119.914 0.035 0.000 2.540 278 V HA 0.425 4.550 4.120 0.007 0.000 0.302 278 V C -0.335 175.774 176.094 0.024 0.000 1.035 278 V CA -0.784 61.558 62.300 0.070 0.000 0.873 278 V CB 1.790 33.697 31.823 0.139 0.000 0.992 278 V HN 0.631 nan 8.190 nan 0.000 0.428 279 I N 4.741 125.320 120.570 0.015 0.000 2.433 279 I HA 0.668 4.843 4.170 0.007 0.000 0.292 279 I C -1.112 174.997 176.117 -0.013 0.000 1.001 279 I CA -0.573 60.725 61.300 -0.003 0.000 1.119 279 I CB 1.813 39.809 38.000 -0.007 0.000 1.289 279 I HN 0.390 nan 8.210 nan 0.000 0.438 280 V N 7.809 127.715 119.914 -0.014 0.000 2.384 280 V HA 0.459 4.583 4.120 0.007 0.000 0.287 280 V C -0.421 175.660 176.094 -0.022 0.000 1.020 280 V CA -0.532 61.754 62.300 -0.024 0.000 0.850 280 V CB 1.638 33.450 31.823 -0.020 0.000 0.987 280 V HN 0.479 nan 8.190 nan 0.000 0.436 281 V N 6.096 125.994 119.914 -0.027 0.000 2.531 281 V HA 0.482 4.606 4.120 0.007 0.000 0.301 281 V C -0.626 175.460 176.094 -0.013 0.000 1.034 281 V CA -0.660 61.630 62.300 -0.017 0.000 0.865 281 V CB 1.932 33.746 31.823 -0.015 0.000 0.995 281 V HN 0.668 nan 8.190 nan 0.000 0.424 282 L N 5.011 126.230 121.223 -0.008 0.000 2.280 282 L HA 0.913 5.257 4.340 0.007 0.000 0.287 282 L C 0.400 177.257 176.870 -0.022 0.000 1.023 282 L CA 0.617 55.453 54.840 -0.006 0.000 0.819 282 L CB 0.943 43.008 42.059 0.011 0.000 1.212 282 L HN 0.718 nan 8.230 nan 0.000 0.420 283 G N 3.544 112.333 108.800 -0.018 0.000 3.075 283 G HA2 0.332 4.296 3.960 0.007 0.000 0.253 283 G HA3 0.332 4.296 3.960 0.007 0.000 0.253 283 G C 0.129 175.000 174.900 -0.049 0.000 1.353 283 G CA -0.471 44.609 45.100 -0.034 0.000 1.051 283 G HN 0.590 nan 8.290 nan 0.000 0.553 284 K N -0.293 120.073 120.400 -0.056 0.000 2.025 284 K HA -0.048 4.276 4.320 0.007 0.000 0.207 284 K C 1.831 178.414 176.600 -0.028 0.000 1.049 284 K CA 1.463 57.712 56.287 -0.063 0.000 0.933 284 K CB 0.106 32.569 32.500 -0.062 0.000 0.714 284 K HN 0.537 nan 8.250 nan 0.000 0.438 285 E N 0.133 120.328 120.200 -0.008 0.000 2.431 285 E HA 0.034 4.388 4.350 0.007 0.000 0.200 285 E C -0.386 176.230 176.600 0.028 0.000 0.995 285 E CA 0.149 56.554 56.400 0.008 0.000 0.915 285 E CB 0.589 30.294 29.700 0.008 0.000 0.930 285 E HN 0.220 nan 8.360 nan 0.000 0.496 286 D N 0.360 120.780 120.400 0.034 0.000 2.671 286 D HA 0.246 4.890 4.640 0.007 0.000 0.232 286 D C -1.181 175.146 176.300 0.045 0.000 1.114 286 D CA -0.557 53.481 54.000 0.064 0.000 0.858 286 D CB 2.285 43.152 40.800 0.112 0.000 1.544 286 D HN -0.095 nan 8.370 nan 0.000 0.471 287 L N 1.293 122.540 121.223 0.039 0.000 2.296 287 L HA 0.555 4.899 4.340 0.007 0.000 0.286 287 L C -0.972 175.894 176.870 -0.007 0.000 1.023 287 L CA 0.024 54.865 54.840 0.001 0.000 0.812 287 L CB 1.123 43.162 42.059 -0.034 0.000 1.223 287 L HN 0.353 nan 8.230 nan 0.000 0.421 288 T N 6.360 120.891 114.554 -0.038 0.000 2.861 288 T HA 0.626 4.980 4.350 0.007 0.000 0.287 288 T C -0.223 174.398 174.700 -0.132 0.000 1.003 288 T CA -0.319 61.706 62.100 -0.126 0.000 0.977 288 T CB 1.903 70.706 68.868 -0.108 0.000 0.996 288 T HN 0.459 nan 8.240 nan 0.000 0.448 289 I N 2.606 123.070 120.570 -0.177 0.000 2.439 289 I HA 0.436 4.611 4.170 0.007 0.000 0.285 289 I C -0.212 175.822 176.117 -0.138 0.000 1.021 289 I CA -0.827 60.401 61.300 -0.120 0.000 1.091 289 I CB 1.940 39.878 38.000 -0.104 0.000 1.242 289 I HN 0.348 nan 8.210 nan 0.000 0.439 290 K N 7.518 127.868 120.400 -0.085 0.000 2.235 290 K HA 0.659 4.983 4.320 0.007 0.000 0.266 290 K C -1.241 175.355 176.600 -0.007 0.000 0.980 290 K CA -0.472 55.780 56.287 -0.058 0.000 0.849 290 K CB 1.290 33.766 32.500 -0.039 0.000 1.098 290 K HN 0.559 nan 8.250 nan 0.000 0.445 291 I N 3.169 123.739 120.570 -0.001 0.000 2.355 291 I HA 0.195 4.370 4.170 0.007 0.000 0.288 291 I C -0.672 175.482 176.117 0.062 0.000 0.999 291 I CA -0.525 60.809 61.300 0.057 0.000 1.163 291 I CB 1.990 39.997 38.000 0.011 0.000 1.316 291 I HN 0.496 nan 8.210 nan 0.000 0.454 292 S N 4.655 120.401 115.700 0.077 0.000 2.478 292 S HA 0.527 5.001 4.470 0.007 0.000 0.312 292 S C -0.856 173.769 174.600 0.041 0.000 1.094 292 S CA -0.826 57.406 58.200 0.053 0.000 1.081 292 S CB 1.382 64.613 63.200 0.052 0.000 1.007 292 S HN 0.730 nan 8.310 nan 0.000 0.475 293 D N 0.687 121.088 120.400 0.001 0.000 2.493 293 D HA 0.483 5.127 4.640 0.007 0.000 0.239 293 D C -0.556 175.655 176.300 -0.150 0.000 1.049 293 D CA -1.092 52.884 54.000 -0.041 0.000 1.008 293 D CB 0.842 41.625 40.800 -0.028 0.000 1.398 293 D HN 0.271 nan 8.370 nan 0.000 0.513 294 R N -0.010 120.374 120.500 -0.194 0.000 3.220 294 R HA 0.431 4.776 4.340 0.007 0.000 0.324 294 R C 0.452 176.605 176.300 -0.245 0.000 1.283 294 R CA -0.435 55.447 56.100 -0.363 0.000 1.387 294 R CB 1.014 31.083 30.300 -0.384 0.000 1.413 294 R HN 0.621 nan 8.270 nan 0.000 0.610 295 G N -0.656 107.998 108.800 -0.242 0.000 3.371 295 G HA2 0.260 4.224 3.960 0.007 0.000 0.248 295 G HA3 0.260 4.224 3.960 0.007 0.000 0.248 295 G C 1.006 175.636 174.900 -0.450 0.000 1.161 295 G CA 0.310 45.285 45.100 -0.208 0.000 0.796 295 G HN 0.551 nan 8.290 nan 0.000 0.539 296 G N -1.034 107.284 108.800 -0.803 0.000 2.234 296 G HA2 0.162 4.127 3.960 0.007 0.000 0.260 296 G HA3 0.162 4.127 3.960 0.007 0.000 0.260 296 G C 1.216 175.905 174.900 -0.353 0.000 0.987 296 G CA 0.672 45.160 45.100 -1.020 0.000 0.625 296 G HN 2.137 nan 8.290 nan 0.000 0.532 297 G N -2.218 106.449 108.800 -0.221 0.000 2.693 297 G HA2 0.229 4.193 3.960 0.007 0.000 0.226 297 G HA3 0.229 4.193 3.960 0.007 0.000 0.226 297 G C -0.300 174.566 174.900 -0.057 0.000 1.354 297 G CA 0.215 45.260 45.100 -0.092 0.000 0.873 297 G HN 1.710 nan 8.290 nan 0.000 0.562 298 V N 0.919 120.820 119.914 -0.020 0.000 2.777 298 V HA 0.556 4.680 4.120 0.007 0.000 0.306 298 V C -2.239 173.856 176.094 0.003 0.000 1.112 298 V CA -1.002 61.294 62.300 -0.008 0.000 0.917 298 V CB 2.395 34.211 31.823 -0.011 0.000 1.018 298 V HN 0.788 nan 8.190 nan 0.000 0.426 299 P HA 0.082 nan 4.420 nan 0.000 0.265 299 P C 0.714 178.013 177.300 -0.001 0.000 1.193 299 P CA -0.128 62.976 63.100 0.007 0.000 0.765 299 P CB 0.663 32.368 31.700 0.008 0.000 0.823 300 L N 4.671 125.896 121.223 0.003 0.000 2.127 300 L HA -0.179 4.165 4.340 0.007 0.000 0.211 300 L C 2.360 179.220 176.870 -0.017 0.000 1.089 300 L CA 1.808 56.648 54.840 -0.001 0.000 0.757 300 L CB -0.862 41.200 42.059 0.006 0.000 0.899 300 L HN 0.333 nan 8.230 nan 0.000 0.434 301 R N 0.333 120.822 120.500 -0.018 0.000 2.117 301 R HA -0.184 4.160 4.340 0.007 0.000 0.243 301 R C 2.039 178.311 176.300 -0.047 0.000 1.143 301 R CA 2.274 58.358 56.100 -0.027 0.000 0.968 301 R CB -0.571 29.719 30.300 -0.017 0.000 0.863 301 R HN 0.719 nan 8.270 nan 0.000 0.444 302 I N -2.853 117.685 120.570 -0.055 0.000 3.956 302 I HA 0.103 4.277 4.170 0.007 0.000 0.333 302 I C 1.423 177.465 176.117 -0.125 0.000 1.302 302 I CA -0.212 61.023 61.300 -0.109 0.000 1.122 302 I CB 0.163 38.104 38.000 -0.098 0.000 1.013 302 I HN -0.009 nan 8.210 nan 0.000 0.405 303 I N 2.251 122.783 120.570 -0.065 0.000 2.208 303 I HA -0.257 3.917 4.170 0.007 0.000 0.245 303 I C 1.967 178.084 176.117 -0.000 0.000 1.097 303 I CA 1.804 63.084 61.300 -0.032 0.000 1.363 303 I CB -0.836 37.154 38.000 -0.017 0.000 1.051 303 I HN 0.355 nan 8.210 nan 0.000 0.413 304 D N 0.166 120.548 120.400 -0.031 0.000 2.117 304 D HA -0.175 4.469 4.640 0.007 0.000 0.198 304 D C 2.249 178.533 176.300 -0.027 0.000 0.982 304 D CA 0.832 54.828 54.000 -0.006 0.000 0.828 304 D CB -0.258 40.515 40.800 -0.045 0.000 0.967 304 D HN 0.208 nan 8.370 nan 0.000 0.464 305 R N 0.434 120.831 120.500 -0.172 0.000 2.117 305 R HA -0.118 4.226 4.340 0.007 0.000 0.243 305 R C 2.328 178.357 176.300 -0.452 0.000 1.143 305 R CA 0.821 56.701 56.100 -0.366 0.000 0.968 305 R CB -0.289 29.631 30.300 -0.633 0.000 0.863 305 R HN 0.207 nan 8.270 nan 0.000 0.444 306 L N -0.625 120.383 121.223 -0.358 0.000 2.129 306 L HA -0.204 4.140 4.340 0.007 0.000 0.212 306 L C 1.641 178.374 176.870 -0.228 0.000 1.087 306 L CA 1.301 56.002 54.840 -0.232 0.000 0.757 306 L CB -0.367 41.564 42.059 -0.213 0.000 0.896 306 L HN 0.208 nan 8.230 nan 0.000 0.434 307 F N -0.438 119.429 119.950 -0.139 0.000 2.797 307 F HA 0.065 4.593 4.527 0.001 0.000 0.302 307 F C 1.453 177.118 175.800 -0.225 0.000 1.130 307 F CA -0.202 57.700 58.000 -0.164 0.000 1.387 307 F CB 0.007 38.916 39.000 -0.152 0.000 1.107 307 F HN -0.124 nan 8.300 nan 0.000 0.577 308 S N -0.370 115.324 115.700 -0.011 0.000 2.565 308 S HA 0.145 4.619 4.470 0.007 0.000 0.276 308 S C -0.532 174.032 174.600 -0.061 0.000 1.326 308 S CA -0.485 57.708 58.200 -0.012 0.000 1.045 308 S CB 0.144 63.395 63.200 0.084 0.000 0.918 308 S HN 0.076 nan 8.310 nan 0.000 0.505 309 Y N 2.065 122.383 120.300 0.029 0.000 2.610 309 Y HA 0.095 4.650 4.550 0.008 0.000 0.332 309 Y C 2.074 178.039 175.900 0.108 0.000 1.201 309 Y CA 1.309 59.356 58.100 -0.088 0.000 1.465 309 Y CB 0.136 38.495 38.460 -0.168 0.000 1.283 309 Y HN 1.088 nan 8.280 nan 0.000 0.563 310 T N -0.765 113.993 114.554 0.339 0.000 7.880 310 T HA -0.359 3.995 4.350 0.007 0.000 0.303 310 T C -0.067 174.746 174.700 0.189 0.000 2.087 310 T CA 0.762 63.058 62.100 0.326 0.000 3.396 310 T CB -2.448 66.604 68.868 0.306 0.000 1.703 310 T HN 0.645 nan 8.240 nan 0.000 0.997 311 Y N 2.857 123.203 120.300 0.077 0.000 2.569 311 Y HA 0.541 5.096 4.550 0.007 0.000 0.332 311 Y C 0.323 176.225 175.900 0.004 0.000 1.120 311 Y CA 0.585 58.702 58.100 0.027 0.000 1.416 311 Y CB 0.690 39.148 38.460 -0.005 0.000 1.210 311 Y HN 0.563 nan 8.280 nan 0.000 0.528 312 S N 3.243 118.469 115.700 -0.791 0.000 2.533 312 S HA 0.251 4.726 4.470 0.007 0.000 0.271 312 S C 0.315 174.526 174.600 -0.648 0.000 1.143 312 S CA -0.178 57.684 58.200 -0.564 0.000 0.891 312 S CB 1.014 64.056 63.200 -0.263 0.000 1.105 312 S HN 0.801 nan 8.310 nan 0.000 0.468 313 T N 1.105 115.410 114.554 -0.416 0.000 3.129 313 T HA 0.478 4.832 4.350 0.007 0.000 0.251 313 T C 0.699 175.297 174.700 -0.170 0.000 1.117 313 T CA 0.351 62.304 62.100 -0.245 0.000 1.034 313 T CB -0.102 68.702 68.868 -0.106 0.000 0.968 313 T HN 0.790 nan 8.240 nan 0.000 0.526 314 A N 2.177 124.886 122.820 -0.184 0.000 2.279 314 A HA 0.717 5.041 4.320 0.007 0.000 0.303 314 A C -2.484 175.005 177.584 -0.159 0.000 1.108 314 A CA -1.951 49.996 52.037 -0.150 0.000 0.830 314 A CB 0.133 19.037 19.000 -0.161 0.000 1.106 314 A HN 0.219 nan 8.150 nan 0.000 0.493 315 P HA 0.206 nan 4.420 nan 0.000 0.269 315 P C -0.274 176.914 177.300 -0.188 0.000 1.215 315 P CA 0.184 63.207 63.100 -0.129 0.000 0.780 315 P CB 0.338 31.985 31.700 -0.090 0.000 0.898 316 T N 3.827 118.265 114.554 -0.193 0.000 2.870 316 T HA 0.266 4.621 4.350 0.007 0.000 0.300 316 T C -1.743 172.774 174.700 -0.305 0.000 0.989 316 T CA -0.633 61.282 62.100 -0.308 0.000 1.139 316 T CB -0.407 68.341 68.868 -0.200 0.000 0.920 316 T HN 0.340 nan 8.240 nan 0.000 0.537 327 L N 1.120 122.255 121.223 -0.145 0.000 2.023 327 L HA 0.546 4.890 4.340 0.007 0.000 0.205 327 L C 0.587 177.319 176.870 -0.230 0.000 1.073 327 L CA 2.387 57.030 54.840 -0.329 0.000 0.745 327 L CB -0.391 41.156 42.059 -0.854 0.000 0.900 327 L HN 0.754 nan 8.230 nan 0.000 0.435 328 A N -3.247 119.426 122.820 -0.245 0.000 2.594 328 A HA 0.645 4.969 4.320 0.007 0.000 0.291 328 A C 0.313 177.773 177.584 -0.207 0.000 1.105 328 A CA -0.015 51.917 52.037 -0.175 0.000 0.694 328 A CB 1.069 19.960 19.000 -0.181 0.000 1.291 328 A HN 0.612 nan 8.150 nan 0.000 0.410 329 G N -1.439 107.241 108.800 -0.201 0.000 2.624 329 G HA2 -0.091 3.874 3.960 0.007 0.000 0.190 329 G HA3 -0.091 3.874 3.960 0.007 0.000 0.190 329 G C 0.491 175.177 174.900 -0.356 0.000 1.008 329 G CA 0.560 45.468 45.100 -0.321 0.000 0.731 329 G HN 0.682 nan 8.290 nan 0.000 0.478 330 F N 1.682 121.637 119.950 0.009 0.000 2.512 330 F HA 0.396 4.928 4.527 0.007 0.000 0.296 330 F C 2.171 178.087 175.800 0.192 0.000 1.110 330 F CA 1.351 59.391 58.000 0.066 0.000 1.446 330 F CB 0.083 39.088 39.000 0.008 0.000 1.092 330 F HN 0.779 nan 8.300 nan 0.000 0.554 331 G N -0.579 108.381 108.800 0.267 0.000 2.246 331 G HA2 -0.353 3.611 3.960 0.007 0.000 0.273 331 G HA3 -0.353 3.611 3.960 0.007 0.000 0.273 331 G C 0.363 175.450 174.900 0.312 0.000 1.055 331 G CA 0.392 45.620 45.100 0.213 0.000 0.851 331 G HN 0.412 nan 8.290 nan 0.000 0.500 332 Y N -0.529 119.845 120.300 0.123 0.000 2.444 332 Y HA 0.314 4.868 4.550 0.008 0.000 0.252 332 Y C 2.628 178.564 175.900 0.060 0.000 1.091 332 Y CA 0.695 58.871 58.100 0.127 0.000 1.276 332 Y CB 0.006 38.565 38.460 0.165 0.000 1.170 332 Y HN 0.251 nan 8.280 nan 0.000 0.517 333 G N 0.679 109.571 108.800 0.154 0.000 2.491 333 G HA2 -0.267 3.697 3.960 0.007 0.000 0.218 333 G HA3 -0.267 3.697 3.960 0.007 0.000 0.218 333 G C 1.681 176.579 174.900 -0.002 0.000 1.180 333 G CA 1.341 46.479 45.100 0.063 0.000 0.774 333 G HN 0.328 nan 8.290 nan 0.000 0.562 334 L N 1.247 122.383 121.223 -0.145 0.000 1.988 334 L HA -0.032 4.312 4.340 0.007 0.000 0.207 334 L C 0.390 177.210 176.870 -0.084 0.000 1.071 334 L CA 1.365 56.035 54.840 -0.283 0.000 0.744 334 L CB -1.135 40.420 42.059 -0.839 0.000 0.893 334 L HN 0.221 nan 8.230 nan 0.000 0.433 335 P HA -0.165 nan 4.420 nan 0.000 0.217 335 P C 1.804 179.076 177.300 -0.046 0.000 1.150 335 P CA 1.440 64.432 63.100 -0.181 0.000 0.832 335 P CB -0.012 31.125 31.700 -0.937 0.000 0.787 336 I N 0.194 120.768 120.570 0.007 0.000 2.202 336 I HA -0.130 4.045 4.170 0.007 0.000 0.242 336 I C 2.379 178.573 176.117 0.129 0.000 1.091 336 I CA 1.415 62.752 61.300 0.062 0.000 1.368 336 I CB -1.756 36.337 38.000 0.154 0.000 1.058 336 I HN -0.030 nan 8.210 nan 0.000 0.410 337 S N 0.447 116.303 115.700 0.261 0.000 2.382 337 S HA -0.194 4.280 4.470 0.007 0.000 0.228 337 S C 2.097 176.856 174.600 0.265 0.000 1.027 337 S CA 1.177 59.589 58.200 0.353 0.000 0.991 337 S CB -0.342 63.009 63.200 0.251 0.000 0.823 337 S HN 0.391 nan 8.310 nan 0.000 0.469 338 R N 1.060 121.690 120.500 0.217 0.000 2.096 338 R HA -0.007 4.337 4.340 0.007 0.000 0.235 338 R C 2.061 178.439 176.300 0.129 0.000 1.127 338 R CA 1.005 57.224 56.100 0.198 0.000 0.968 338 R CB -0.352 30.082 30.300 0.223 0.000 0.861 338 R HN 0.361 nan 8.270 nan 0.000 0.440 339 L N -0.410 120.848 121.223 0.058 0.000 2.046 339 L HA -0.197 4.147 4.340 0.007 0.000 0.208 339 L C 2.201 179.054 176.870 -0.029 0.000 1.077 339 L CA 1.488 56.309 54.840 -0.032 0.000 0.747 339 L CB -0.663 41.307 42.059 -0.148 0.000 0.896 339 L HN 0.253 nan 8.230 nan 0.000 0.432 340 Y N -0.062 120.263 120.300 0.042 0.000 2.165 340 Y HA -0.331 4.223 4.550 0.007 0.000 0.286 340 Y C 2.688 178.740 175.900 0.252 0.000 1.155 340 Y CA 1.100 59.245 58.100 0.076 0.000 1.164 340 Y CB -0.339 38.144 38.460 0.037 0.000 0.978 340 Y HN 0.187 nan 8.280 nan 0.000 0.513 341 A N 0.168 123.212 122.820 0.374 0.000 1.873 341 A HA -0.183 4.141 4.320 0.007 0.000 0.215 341 A C 2.051 179.812 177.584 0.295 0.000 1.186 341 A CA 1.706 53.944 52.037 0.335 0.000 0.616 341 A CB -0.438 18.713 19.000 0.252 0.000 0.823 341 A HN 0.382 nan 8.150 nan 0.000 0.442 342 K N -1.692 118.837 120.400 0.214 0.000 2.288 342 K HA -0.089 4.235 4.320 0.007 0.000 0.201 342 K C 1.783 178.479 176.600 0.160 0.000 1.048 342 K CA 1.035 57.417 56.287 0.158 0.000 0.956 342 K CB -0.277 32.280 32.500 0.095 0.000 0.746 342 K HN 0.579 nan 8.250 nan 0.000 0.461 343 Y N 0.677 120.992 120.300 0.025 0.000 2.151 343 Y HA -0.208 4.346 4.550 0.006 0.000 0.284 343 Y C 0.788 176.555 175.900 -0.222 0.000 1.166 343 Y CA 1.456 59.470 58.100 -0.143 0.000 1.163 343 Y CB -0.172 38.154 38.460 -0.223 0.000 0.974 343 Y HN -0.066 nan 8.280 nan 0.000 0.511 344 F N 1.308 121.262 119.950 0.006 0.000 2.925 344 F HA 0.204 4.735 4.527 0.007 0.000 0.302 344 F C 0.375 176.200 175.800 0.041 0.000 1.189 344 F CA -0.330 57.623 58.000 -0.078 0.000 1.346 344 F CB 0.136 39.116 39.000 -0.033 0.000 0.954 344 F HN -0.054 nan 8.300 nan 0.000 0.506 345 Q N -0.966 118.936 119.800 0.169 0.000 2.493 345 Q HA -0.144 4.200 4.340 0.007 0.000 0.260 345 Q C 0.559 176.647 176.000 0.146 0.000 0.905 345 Q CA 0.768 56.647 55.803 0.127 0.000 1.140 345 Q CB -1.979 26.818 28.738 0.099 0.000 1.435 345 Q HN 0.648 nan 8.270 nan 0.000 0.581 346 G N -0.418 108.505 108.800 0.205 0.000 2.509 346 G HA2 0.513 4.477 3.960 0.007 0.000 0.269 346 G HA3 0.513 4.477 3.960 0.007 0.000 0.269 346 G C -0.393 174.616 174.900 0.181 0.000 1.416 346 G CA 0.428 45.656 45.100 0.213 0.000 1.052 346 G HN 0.128 nan 8.290 nan 0.000 0.542 347 D N -2.395 118.151 120.400 0.242 0.000 2.710 347 D HA 0.463 5.107 4.640 0.007 0.000 0.276 347 D C -1.709 174.772 176.300 0.301 0.000 1.267 347 D CA -0.455 53.673 54.000 0.214 0.000 0.772 347 D CB 1.872 42.740 40.800 0.113 0.000 1.299 347 D HN 0.320 nan 8.370 nan 0.000 0.421 348 L N 1.931 123.284 121.223 0.217 0.000 2.470 348 L HA 0.567 4.911 4.340 0.007 0.000 0.268 348 L C -1.507 175.446 176.870 0.138 0.000 0.964 348 L CA -0.498 54.464 54.840 0.204 0.000 0.839 348 L CB 1.457 43.637 42.059 0.202 0.000 1.276 348 L HN 0.283 nan 8.230 nan 0.000 0.403 349 N N 4.068 122.867 118.700 0.165 0.000 2.321 349 N HA 0.645 5.389 4.740 0.007 0.000 0.290 349 N C -1.775 173.734 175.510 -0.002 0.000 1.212 349 N CA -0.521 52.530 53.050 0.002 0.000 0.767 349 N CB 2.831 41.346 38.487 0.047 0.000 1.494 349 N HN 0.326 nan 8.380 nan 0.000 0.479 350 L N 1.385 122.493 121.223 -0.191 0.000 2.408 350 L HA 0.509 4.854 4.340 0.007 0.000 0.268 350 L C -1.630 174.963 176.870 -0.461 0.000 0.986 350 L CA -0.450 54.319 54.840 -0.118 0.000 0.820 350 L CB 1.336 43.434 42.059 0.065 0.000 1.303 350 L HN 0.478 nan 8.230 nan 0.000 0.411 351 Y N 1.774 122.116 120.300 0.071 0.000 2.373 351 Y HA 0.640 5.195 4.550 0.008 0.000 0.336 351 Y C 0.011 175.935 175.900 0.040 0.000 0.979 351 Y CA -0.512 57.619 58.100 0.051 0.000 1.080 351 Y CB 2.419 40.907 38.460 0.046 0.000 1.190 351 Y HN 0.486 nan 8.280 nan 0.000 0.446 352 S N 3.467 119.252 115.700 0.141 0.000 2.568 352 S HA 0.727 5.201 4.470 0.007 0.000 0.302 352 S C -1.267 173.390 174.600 0.095 0.000 1.082 352 S CA -0.692 57.563 58.200 0.091 0.000 1.009 352 S CB 0.662 63.885 63.200 0.038 0.000 1.069 352 S HN 0.612 nan 8.310 nan 0.000 0.500 353 L N 3.423 124.704 121.223 0.096 0.000 2.313 353 L HA 0.412 4.757 4.340 0.007 0.000 0.273 353 L C 0.402 177.322 176.870 0.084 0.000 1.028 353 L CA -0.588 54.311 54.840 0.099 0.000 0.871 353 L CB 1.299 43.443 42.059 0.141 0.000 1.242 353 L HN 0.594 nan 8.230 nan 0.000 0.434 354 S N 2.067 117.798 115.700 0.051 0.000 2.544 354 S HA 0.331 4.806 4.470 0.007 0.000 0.290 354 S C 1.207 175.835 174.600 0.047 0.000 1.276 354 S CA 1.058 59.276 58.200 0.031 0.000 1.075 354 S CB 0.307 63.523 63.200 0.026 0.000 0.849 354 S HN 1.008 nan 8.310 nan 0.000 0.494 355 G N 3.658 112.477 108.800 0.031 0.000 2.201 355 G HA2 -0.254 3.710 3.960 0.007 0.000 0.212 355 G HA3 -0.254 3.710 3.960 0.007 0.000 0.212 355 G C 0.210 175.189 174.900 0.131 0.000 0.994 355 G CA 0.485 45.632 45.100 0.078 0.000 0.644 355 G HN 0.830 nan 8.290 nan 0.000 0.508 356 Y N 0.239 120.487 120.300 -0.087 0.000 3.199 356 Y HA 0.505 5.057 4.550 0.004 0.000 0.211 356 Y C 1.188 177.008 175.900 -0.133 0.000 0.959 356 Y CA 1.801 59.858 58.100 -0.072 0.000 1.528 356 Y CB 0.826 39.274 38.460 -0.019 0.000 1.487 356 Y HN 0.979 nan 8.280 nan 0.000 0.403 357 G N -0.580 108.168 108.800 -0.087 0.000 2.342 357 G HA2 0.454 4.418 3.960 0.007 0.000 0.297 357 G HA3 0.454 4.418 3.960 0.007 0.000 0.297 357 G C -1.655 173.231 174.900 -0.024 0.000 1.313 357 G CA -0.311 44.679 45.100 -0.183 0.000 0.830 357 G HN 0.028 nan 8.290 nan 0.000 0.506 358 T N 0.886 115.423 114.554 -0.028 0.000 2.912 358 T HA 0.610 4.965 4.350 0.007 0.000 0.299 358 T C -1.767 172.960 174.700 0.046 0.000 1.052 358 T CA -0.598 61.515 62.100 0.021 0.000 0.996 358 T CB 1.991 70.853 68.868 -0.010 0.000 1.070 358 T HN 0.393 nan 8.240 nan 0.000 0.465 359 D N 2.021 122.477 120.400 0.094 0.000 2.303 359 D HA 0.585 5.229 4.640 0.007 0.000 0.236 359 D C -0.564 175.803 176.300 0.110 0.000 1.068 359 D CA -0.267 53.795 54.000 0.104 0.000 0.830 359 D CB 1.717 42.602 40.800 0.142 0.000 1.109 359 D HN 0.662 nan 8.370 nan 0.000 0.496 360 A N 3.007 125.859 122.820 0.054 0.000 2.304 360 A HA 0.670 4.995 4.320 0.007 0.000 0.323 360 A C -0.423 177.165 177.584 0.007 0.000 1.195 360 A CA -0.710 51.347 52.037 0.033 0.000 0.826 360 A CB 0.663 19.648 19.000 -0.026 0.000 1.184 360 A HN 0.639 nan 8.150 nan 0.000 0.496 361 I N 3.226 123.807 120.570 0.018 0.000 2.466 361 I HA 0.550 4.724 4.170 0.007 0.000 0.289 361 I C -1.290 174.707 176.117 -0.199 0.000 1.026 361 I CA -0.996 60.230 61.300 -0.123 0.000 1.078 361 I CB 1.166 39.076 38.000 -0.150 0.000 1.249 361 I HN 0.593 nan 8.210 nan 0.000 0.429 362 I N 7.666 128.079 120.570 -0.262 0.000 2.359 362 I HA 0.307 4.481 4.170 0.007 0.000 0.294 362 I C -1.224 174.693 176.117 -0.333 0.000 0.987 362 I CA -0.508 60.688 61.300 -0.174 0.000 1.225 362 I CB 1.168 39.110 38.000 -0.096 0.000 1.366 362 I HN 0.460 nan 8.210 nan 0.000 0.466 363 Y N 6.189 126.511 120.300 0.036 0.000 2.364 363 Y HA 0.647 5.201 4.550 0.005 0.000 0.340 363 Y C -0.341 175.576 175.900 0.028 0.000 0.975 363 Y CA -0.696 57.420 58.100 0.027 0.000 1.089 363 Y CB 1.544 40.029 38.460 0.042 0.000 1.192 363 Y HN 0.272 nan 8.280 nan 0.000 0.454 364 L N 3.541 124.845 121.223 0.135 0.000 2.370 364 L HA 0.540 4.885 4.340 0.007 0.000 0.266 364 L C -0.525 176.411 176.870 0.111 0.000 1.002 364 L CA -1.500 53.393 54.840 0.089 0.000 0.818 364 L CB 1.669 43.644 42.059 -0.140 0.000 1.325 364 L HN 0.417 nan 8.230 nan 0.000 0.418 365 K N 1.221 121.708 120.400 0.145 0.000 2.412 365 K HA 0.179 4.503 4.320 0.007 0.000 0.281 365 K C 0.611 177.263 176.600 0.087 0.000 1.027 365 K CA 0.008 56.360 56.287 0.108 0.000 0.989 365 K CB 1.541 34.106 32.500 0.108 0.000 0.935 365 K HN 0.786 nan 8.250 nan 0.000 0.475 366 A N 4.198 127.053 122.820 0.059 0.000 2.169 366 A HA 0.079 4.403 4.320 0.007 0.000 0.212 366 A C 0.678 178.289 177.584 0.045 0.000 1.153 366 A CA 0.521 52.587 52.037 0.049 0.000 0.756 366 A CB 0.048 19.069 19.000 0.033 0.000 0.813 366 A HN 0.561 nan 8.150 nan 0.000 0.471 367 L N 0.559 121.803 121.223 0.034 0.000 2.305 367 L HA 0.213 4.557 4.340 0.007 0.000 0.284 367 L C 1.592 178.460 176.870 -0.004 0.000 1.013 367 L CA -0.172 54.678 54.840 0.016 0.000 0.819 367 L CB 1.808 43.873 42.059 0.011 0.000 1.227 367 L HN 0.373 nan 8.230 nan 0.000 0.417 368 S N 0.154 115.837 115.700 -0.028 0.000 2.400 368 S HA -0.201 4.273 4.470 0.007 0.000 0.232 368 S C 1.809 176.357 174.600 -0.086 0.000 1.025 368 S CA 1.352 59.502 58.200 -0.083 0.000 0.993 368 S CB -0.305 62.837 63.200 -0.096 0.000 0.808 368 S HN 0.799 nan 8.310 nan 0.000 0.478 369 S N 1.485 117.154 115.700 -0.052 0.000 2.453 369 S HA 0.051 4.525 4.470 0.007 0.000 0.231 369 S C 1.470 176.054 174.600 -0.027 0.000 1.005 369 S CA 0.611 58.783 58.200 -0.046 0.000 0.949 369 S CB -0.424 62.756 63.200 -0.033 0.000 0.774 369 S HN 0.710 nan 8.310 nan 0.000 0.510 370 E N 1.142 121.335 120.200 -0.012 0.000 2.472 370 E HA 0.199 4.553 4.350 0.007 0.000 0.196 370 E C -0.294 176.325 176.600 0.032 0.000 1.033 370 E CA -0.137 56.270 56.400 0.011 0.000 0.886 370 E CB 0.363 30.074 29.700 0.019 0.000 0.944 370 E HN 0.328 nan 8.360 nan 0.000 0.492 371 S N 1.709 117.411 115.700 0.004 0.000 3.072 371 S HA 0.251 4.725 4.470 0.007 0.000 0.306 371 S C -0.058 174.598 174.600 0.093 0.000 1.207 371 S CA 0.043 58.255 58.200 0.021 0.000 1.008 371 S CB -0.213 62.878 63.200 -0.182 0.000 1.390 371 S HN 0.137 nan 8.310 nan 0.000 0.523 372 I N 2.031 122.708 120.570 0.178 0.000 2.474 372 I HA 0.257 4.431 4.170 0.007 0.000 0.294 372 I C 0.370 176.543 176.117 0.092 0.000 1.005 372 I CA -0.819 60.567 61.300 0.142 0.000 1.113 372 I CB 1.672 39.708 38.000 0.060 0.000 1.289 372 I HN 0.352 nan 8.210 nan 0.000 0.436 373 E N 4.802 124.995 120.200 -0.011 0.000 2.452 373 E HA -0.012 4.342 4.350 0.007 0.000 0.261 373 E C -0.376 176.153 176.600 -0.119 0.000 0.987 373 E CA 0.192 56.388 56.400 -0.341 0.000 0.926 373 E CB 0.669 30.267 29.700 -0.170 0.000 0.934 373 E HN 0.297 nan 8.360 nan 0.000 0.452 374 K N 4.462 124.798 120.400 -0.107 0.000 2.334 374 K HA 0.291 4.616 4.320 0.007 0.000 0.265 374 K C -1.231 175.410 176.600 0.069 0.000 1.039 374 K CA -0.283 56.013 56.287 0.016 0.000 0.920 374 K CB 0.276 32.792 32.500 0.026 0.000 1.160 374 K HN 0.396 nan 8.250 nan 0.000 0.451 375 L N 5.658 126.916 121.223 0.058 0.000 2.346 375 L HA 0.582 4.926 4.340 0.007 0.000 0.274 375 L C -1.946 174.944 176.870 0.033 0.000 1.007 375 L CA -2.257 52.618 54.840 0.060 0.000 0.818 375 L CB 1.756 43.862 42.059 0.079 0.000 1.284 375 L HN 0.633 nan 8.230 nan 0.000 0.424 376 P HA 0.307 nan 4.420 nan 0.000 0.278 376 P C -1.109 176.231 177.300 0.067 0.000 1.238 376 P CA -0.327 62.777 63.100 0.007 0.000 0.794 376 P CB 1.795 33.468 31.700 -0.044 0.000 0.955 377 V N 2.873 122.845 119.914 0.097 0.000 2.656 377 V HA 0.264 4.388 4.120 0.007 0.000 0.307 377 V C -0.424 175.798 176.094 0.213 0.000 1.051 377 V CA -0.680 61.706 62.300 0.143 0.000 0.893 377 V CB 1.724 33.610 31.823 0.106 0.000 0.999 377 V HN 0.463 nan 8.190 nan 0.000 0.426 378 F N 6.990 127.011 119.950 0.117 0.000 2.405 378 F HA 0.557 5.088 4.527 0.006 0.000 0.358 378 F C 0.212 176.097 175.800 0.143 0.000 1.151 378 F CA -0.397 57.700 58.000 0.160 0.000 1.161 378 F CB -0.175 38.924 39.000 0.165 0.000 1.245 378 F HN 0.792 nan 8.300 nan 0.000 0.545 379 N N 3.223 121.760 118.700 -0.272 0.000 3.278 379 N HA 0.248 4.992 4.740 0.007 0.000 0.307 379 N C 0.385 175.738 175.510 -0.263 0.000 1.551 379 N CA -0.884 52.001 53.050 -0.275 0.000 0.794 379 N CB 0.596 39.038 38.487 -0.075 0.000 1.770 379 N HN 0.274 nan 8.380 nan 0.000 0.612 380 K N -0.274 120.033 120.400 -0.154 0.000 2.063 380 K HA -0.175 4.150 4.320 0.007 0.000 0.208 380 K C 1.696 178.327 176.600 0.053 0.000 1.048 380 K CA 2.082 58.325 56.287 -0.073 0.000 0.928 380 K CB -0.416 32.047 32.500 -0.061 0.000 0.713 380 K HN 0.519 nan 8.250 nan 0.000 0.442 381 S N -0.236 115.498 115.700 0.056 0.000 2.383 381 S HA -0.105 4.369 4.470 0.007 0.000 0.227 381 S C 2.012 176.737 174.600 0.209 0.000 1.026 381 S CA 1.129 59.404 58.200 0.124 0.000 0.981 381 S CB -0.323 62.942 63.200 0.108 0.000 0.818 381 S HN 0.440 nan 8.310 nan 0.000 0.472 382 A N 0.749 123.677 122.820 0.179 0.000 1.877 382 A HA 0.034 4.358 4.320 0.007 0.000 0.216 382 A C 2.015 179.814 177.584 0.359 0.000 1.186 382 A CA 1.508 53.706 52.037 0.267 0.000 0.620 382 A CB -1.258 17.917 19.000 0.292 0.000 0.822 382 A HN 0.678 nan 8.150 nan 0.000 0.443 383 F N 0.547 120.596 119.950 0.164 0.000 2.126 383 F HA -0.193 4.340 4.527 0.009 0.000 0.299 383 F C 2.228 178.154 175.800 0.211 0.000 1.096 383 F CA 2.221 60.368 58.000 0.245 0.000 1.255 383 F CB -0.064 38.958 39.000 0.036 0.000 0.997 383 F HN 0.130 nan 8.300 nan 0.000 0.479 384 K N -0.940 119.643 120.400 0.305 0.000 2.002 384 K HA -0.222 4.102 4.320 0.007 0.000 0.209 384 K C 1.891 178.492 176.600 0.002 0.000 1.048 384 K CA 1.848 58.225 56.287 0.149 0.000 0.930 384 K CB -0.519 32.043 32.500 0.104 0.000 0.714 384 K HN 0.304 nan 8.250 nan 0.000 0.438 385 H N -1.014 117.971 119.070 -0.141 0.000 2.431 385 H HA -0.152 4.408 4.556 0.006 0.000 0.297 385 H C 0.215 175.278 175.328 -0.441 0.000 1.115 385 H CA 1.454 57.262 56.048 -0.399 0.000 1.277 385 H CB -0.044 29.264 29.762 -0.756 0.000 1.372 385 H HN 0.104 nan 8.280 nan 0.000 0.516 395 W N 1.229 122.523 121.300 -0.009 0.000 2.702 395 W HA 0.550 5.215 4.660 0.009 0.000 0.331 395 W C -0.287 176.228 176.519 -0.006 0.000 1.049 395 W CA -0.962 56.379 57.345 -0.007 0.000 1.230 395 W CB 1.825 31.281 29.460 -0.007 0.000 1.408 395 W HN -0.020 nan 8.180 nan 0.000 0.492 396 C N 5.797 125.228 119.300 0.218 0.000 2.192 396 C HA 0.777 5.242 4.460 0.007 0.000 0.337 396 C C 0.665 175.754 174.990 0.165 0.000 1.103 396 C CA -0.181 58.920 59.018 0.137 0.000 1.581 396 C CB -2.437 25.352 27.740 0.080 0.000 2.070 396 C HN 0.499 nan 8.230 nan 0.000 0.485 397 I N 0.000 120.648 120.570 0.131 0.000 2.984 397 I HA 0.000 4.174 4.170 0.007 0.000 0.288 397 I CA 0.000 61.358 61.300 0.097 0.000 1.566 397 I CB 0.000 38.046 38.000 0.077 0.000 1.214 397 I HN 0.000 nan 8.210 nan 0.000 0.494