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 2vd5_1_A DATA FIRST_RESID 11 DATA SEQUENCE QQLVLDPGFL GLEPLLDLLL GVHQELGASE LAQDKYVADF LQWAEPIVVR DATA SEQUENCE LKEVRLQRDD FEILKVIGRG AFSEVAVVKM KQTGQVYAMK IMNKWDMLKR DATA SEQUENCE GEVSCFREER DVLVNGDRRW ITQLHFAFQD ENYLYLVMEY YVGGDLLTLL DATA SEQUENCE SKFGERIPAE MARFYLAEIV MAIDSVHRLG YVHRDIKPDN ILLDRCGHIR DATA SEQUENCE LADFGSCLKL RADGTVRSLV AVGTPDYLSP EILQAVGGGP GTGSYGPECD DATA SEQUENCE WWALGVFAYE MFYGQTPFYA DSTAETYGKI VHYKEHLSLP XXXXGVPEEA DATA SEQUENCE RDFIQRLLCP PETRLGRGGA GDFRTHPFFF GLDWDGLRDS VPPFTPDXXX DATA SEQUENCE XXDTCNFDXX EDGLTAMVSG GGETLSDIXX XXXLGVHLPF VGYSYSCMAL DATA SEQUENCE RDSEVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 176.016 176.000 0.027 0.000 1.003 11 Q CA 0.000 55.819 55.803 0.027 0.000 1.022 11 Q CB 0.000 28.756 28.738 0.029 0.000 1.108 12 Q N 0.655 120.460 119.800 0.009 0.000 2.030 12 Q HA -0.071 4.268 4.340 -0.001 0.000 0.204 12 Q C 2.211 178.214 176.000 0.005 0.000 0.986 12 Q CA 3.042 58.849 55.803 0.007 0.000 0.843 12 Q CB -1.749 26.985 28.738 -0.007 0.000 0.904 12 Q HN 0.716 nan 8.270 nan 0.000 0.420 13 L N -0.098 121.099 121.223 -0.043 0.000 2.042 13 L HA -0.046 4.294 4.340 -0.001 0.000 0.210 13 L C 2.938 179.852 176.870 0.072 0.000 1.076 13 L CA 2.455 57.227 54.840 -0.113 0.000 0.749 13 L CB -1.506 40.353 42.059 -0.333 0.000 0.893 13 L HN 0.533 nan 8.230 nan 0.000 0.432 14 V N -0.823 119.157 119.914 0.110 0.000 2.358 14 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 14 V C 2.554 178.752 176.094 0.174 0.000 1.047 14 V CA 1.801 64.222 62.300 0.202 0.000 1.035 14 V CB -0.489 31.415 31.823 0.135 0.000 0.658 14 V HN 0.665 nan 8.190 nan 0.000 0.452 15 L N -0.182 121.112 121.223 0.118 0.000 2.395 15 L HA 0.049 4.389 4.340 -0.001 0.000 0.218 15 L C 1.010 177.945 176.870 0.109 0.000 1.130 15 L CA 0.320 55.220 54.840 0.101 0.000 0.826 15 L CB -0.269 41.834 42.059 0.074 0.000 0.941 15 L HN 0.302 nan 8.230 nan 0.000 0.451 16 D N 0.953 121.429 120.400 0.126 0.000 2.389 16 D HA -0.011 4.629 4.640 -0.001 0.000 0.263 16 D C -1.605 174.783 176.300 0.147 0.000 1.255 16 D CA -1.645 52.432 54.000 0.128 0.000 0.914 16 D CB 1.376 42.254 40.800 0.131 0.000 1.116 16 D HN -0.062 nan 8.370 nan 0.000 0.502 17 P HA -0.058 nan 4.420 nan 0.000 0.222 17 P C 1.166 178.525 177.300 0.100 0.000 1.142 17 P CA 0.922 64.084 63.100 0.104 0.000 0.788 17 P CB 0.235 31.995 31.700 0.099 0.000 0.767 18 G N -2.131 106.740 108.800 0.118 0.000 2.464 18 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 18 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 18 G C 1.144 176.145 174.900 0.168 0.000 1.138 18 G CA 0.163 45.335 45.100 0.120 0.000 0.793 18 G HN 0.233 nan 8.290 nan 0.000 0.539 19 F N -0.751 119.219 119.950 0.032 0.000 2.399 19 F HA 0.510 5.036 4.527 -0.001 0.000 0.282 19 F C 1.587 177.408 175.800 0.035 0.000 1.027 19 F CA 0.570 58.588 58.000 0.030 0.000 1.333 19 F CB 0.263 39.280 39.000 0.027 0.000 1.132 19 F HN 0.053 nan 8.300 nan 0.000 0.590 20 L N -0.844 120.403 121.223 0.040 0.000 3.485 20 L HA 0.651 4.990 4.340 -0.001 0.000 0.175 20 L C 0.315 177.220 176.870 0.058 0.000 1.195 20 L CA 1.103 55.911 54.840 -0.053 0.000 0.874 20 L CB 0.672 42.715 42.059 -0.026 0.000 1.680 20 L HN 0.356 nan 8.230 nan 0.000 0.599 21 G N -0.064 108.803 108.800 0.111 0.000 2.730 21 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.686 21 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.686 21 G C -0.018 174.938 174.900 0.094 0.000 1.343 21 G CA -0.087 45.076 45.100 0.105 0.000 0.826 21 G HN 0.617 nan 8.290 nan 0.000 0.582 22 L N 0.361 121.639 121.223 0.092 0.000 2.156 22 L HA 0.112 4.451 4.340 -0.001 0.000 0.208 22 L C 2.757 179.683 176.870 0.093 0.000 1.095 22 L CA 2.343 57.234 54.840 0.086 0.000 0.770 22 L CB -0.208 41.897 42.059 0.075 0.000 0.914 22 L HN 0.698 nan 8.230 nan 0.000 0.439 23 E N 0.028 120.291 120.200 0.104 0.000 2.051 23 E HA -0.157 4.193 4.350 -0.001 0.000 0.192 23 E C -0.392 176.286 176.600 0.131 0.000 0.991 23 E CA 1.645 58.119 56.400 0.124 0.000 0.799 23 E CB -1.656 28.134 29.700 0.149 0.000 0.748 23 E HN 0.437 nan 8.360 nan 0.000 0.449 24 P HA -0.110 nan 4.420 nan 0.000 0.217 24 P C 1.877 179.242 177.300 0.109 0.000 1.150 24 P CA 1.051 64.221 63.100 0.117 0.000 0.832 24 P CB -0.163 31.588 31.700 0.085 0.000 0.787 25 L N -1.320 119.961 121.223 0.097 0.000 2.042 25 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 25 L C 2.779 179.715 176.870 0.109 0.000 1.076 25 L CA 1.321 56.221 54.840 0.100 0.000 0.749 25 L CB -0.981 41.135 42.059 0.095 0.000 0.893 25 L HN -0.083 nan 8.230 nan 0.000 0.432 26 L N -0.809 120.476 121.223 0.103 0.000 2.044 26 L HA -0.184 4.156 4.340 -0.001 0.000 0.205 26 L C 2.283 179.216 176.870 0.106 0.000 1.075 26 L CA 0.951 55.847 54.840 0.093 0.000 0.747 26 L CB -0.617 41.488 42.059 0.076 0.000 0.903 26 L HN 0.213 nan 8.230 nan 0.000 0.435 27 D N 0.123 120.599 120.400 0.126 0.000 2.133 27 D HA -0.212 4.427 4.640 -0.001 0.000 0.195 27 D C 2.033 178.418 176.300 0.141 0.000 0.997 27 D CA 1.219 55.305 54.000 0.143 0.000 0.840 27 D CB -0.123 40.788 40.800 0.186 0.000 0.947 27 D HN 0.101 nan 8.370 nan 0.000 0.452 28 L N 0.636 121.943 121.223 0.140 0.000 2.027 28 L HA -0.100 4.240 4.340 -0.001 0.000 0.206 28 L C 2.147 179.116 176.870 0.164 0.000 1.074 28 L CA 1.310 56.236 54.840 0.144 0.000 0.745 28 L CB -1.035 41.099 42.059 0.125 0.000 0.898 28 L HN 0.037 nan 8.230 nan 0.000 0.433 29 L N -0.543 120.779 121.223 0.165 0.000 1.990 29 L HA -0.225 4.115 4.340 -0.001 0.000 0.213 29 L C 2.382 179.364 176.870 0.185 0.000 1.072 29 L CA 2.001 56.962 54.840 0.202 0.000 0.755 29 L CB -1.019 41.136 42.059 0.160 0.000 0.889 29 L HN 0.302 nan 8.230 nan 0.000 0.432 30 L N -0.224 121.069 121.223 0.117 0.000 2.079 30 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 30 L C 2.474 179.414 176.870 0.116 0.000 1.081 30 L CA 1.676 56.570 54.840 0.091 0.000 0.752 30 L CB -1.178 40.910 42.059 0.047 0.000 0.896 30 L HN 0.484 nan 8.230 nan 0.000 0.433 31 G N -1.387 107.481 108.800 0.113 0.000 2.394 31 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.215 31 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.215 31 G C 1.565 176.575 174.900 0.183 0.000 1.165 31 G CA 0.733 45.897 45.100 0.106 0.000 0.784 31 G HN 0.202 nan 8.290 nan 0.000 0.535 32 V N 0.356 120.400 119.914 0.217 0.000 2.548 32 V HA -0.154 3.965 4.120 -0.001 0.000 0.249 32 V C 2.403 178.675 176.094 0.298 0.000 1.055 32 V CA 1.789 64.231 62.300 0.236 0.000 1.065 32 V CB -0.516 31.448 31.823 0.234 0.000 0.681 32 V HN 0.556 nan 8.190 nan 0.000 0.462 33 H N -0.081 119.127 119.070 0.229 0.000 2.353 33 H HA -0.210 4.346 4.556 -0.001 0.000 0.300 33 H C 2.391 177.790 175.328 0.119 0.000 1.090 33 H CA 2.294 58.453 56.048 0.184 0.000 1.327 33 H CB 0.318 30.130 29.762 0.083 0.000 1.383 33 H HN 0.453 nan 8.280 nan 0.000 0.508 34 Q N 0.961 120.818 119.800 0.096 0.000 1.967 34 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 34 Q C 2.324 178.348 176.000 0.039 0.000 0.985 34 Q CA 2.193 58.014 55.803 0.031 0.000 0.839 34 Q CB -0.138 28.622 28.738 0.036 0.000 0.906 34 Q HN 0.558 nan 8.270 nan 0.000 0.423 35 E N -0.188 120.086 120.200 0.123 0.000 2.085 35 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 35 E C 2.135 178.762 176.600 0.045 0.000 0.994 35 E CA 1.295 57.755 56.400 0.101 0.000 0.801 35 E CB -0.207 29.570 29.700 0.128 0.000 0.743 35 E HN 0.375 nan 8.360 nan 0.000 0.453 36 L N 0.275 121.530 121.223 0.052 0.000 2.017 36 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 36 L C 2.671 179.533 176.870 -0.013 0.000 1.073 36 L CA 1.264 56.129 54.840 0.041 0.000 0.745 36 L CB -0.923 41.202 42.059 0.110 0.000 0.894 36 L HN 0.249 nan 8.230 nan 0.000 0.432 37 G N -0.172 108.571 108.800 -0.094 0.000 2.469 37 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.219 37 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.219 37 G C 1.577 176.436 174.900 -0.069 0.000 1.150 37 G CA 0.898 45.915 45.100 -0.138 0.000 0.763 37 G HN 0.497 nan 8.290 nan 0.000 0.561 38 A N -0.370 122.422 122.820 -0.046 0.000 2.208 38 A HA 0.640 4.959 4.320 -0.001 0.000 0.209 38 A C 1.688 179.257 177.584 -0.026 0.000 1.161 38 A CA 1.338 53.358 52.037 -0.029 0.000 0.782 38 A CB -0.456 18.534 19.000 -0.017 0.000 0.816 38 A HN 0.752 nan 8.150 nan 0.000 0.477 39 S N -1.133 114.556 115.700 -0.019 0.000 2.693 39 S HA 0.548 5.018 4.470 -0.001 0.000 0.276 39 S C 1.011 175.601 174.600 -0.017 0.000 1.192 39 S CA 0.270 58.461 58.200 -0.015 0.000 0.994 39 S CB 0.437 63.635 63.200 -0.002 0.000 1.012 39 S HN 0.647 nan 8.310 nan 0.000 0.550 40 E N 0.236 120.425 120.200 -0.018 0.000 2.427 40 E HA 0.178 4.528 4.350 -0.001 0.000 0.196 40 E C 1.585 178.173 176.600 -0.021 0.000 1.028 40 E CA 0.623 57.011 56.400 -0.019 0.000 0.864 40 E CB -0.746 28.942 29.700 -0.019 0.000 0.813 40 E HN 0.644 nan 8.360 nan 0.000 0.514 41 L N -0.303 120.912 121.223 -0.014 0.000 2.362 41 L HA 0.002 4.342 4.340 -0.001 0.000 0.219 41 L C 3.011 179.865 176.870 -0.026 0.000 1.134 41 L CA 0.729 55.560 54.840 -0.016 0.000 0.807 41 L CB -0.200 41.864 42.059 0.008 0.000 0.927 41 L HN 0.443 nan 8.230 nan 0.000 0.447 42 A N -0.051 122.760 122.820 -0.014 0.000 2.084 42 A HA -0.329 3.990 4.320 -0.001 0.000 0.221 42 A C 2.466 180.032 177.584 -0.031 0.000 1.161 42 A CA 2.167 54.197 52.037 -0.010 0.000 0.653 42 A CB -0.692 18.301 19.000 -0.011 0.000 0.802 42 A HN 0.523 nan 8.150 nan 0.000 0.457 43 Q N -0.799 118.975 119.800 -0.044 0.000 2.124 43 Q HA 0.028 4.368 4.340 -0.001 0.000 0.202 43 Q C 1.209 177.149 176.000 -0.099 0.000 0.977 43 Q CA 1.858 57.627 55.803 -0.057 0.000 0.850 43 Q CB -2.025 26.683 28.738 -0.050 0.000 0.901 43 Q HN 1.018 nan 8.270 nan 0.000 0.429 44 D N 0.085 120.393 120.400 -0.154 0.000 2.443 44 D HA 0.447 5.086 4.640 -0.001 0.000 0.239 44 D C 1.380 177.484 176.300 -0.328 0.000 1.136 44 D CA 0.724 54.535 54.000 -0.316 0.000 0.879 44 D CB 0.060 40.568 40.800 -0.487 0.000 1.195 44 D HN 0.755 nan 8.370 nan 0.000 0.443 45 K N 0.236 120.420 120.400 -0.359 0.000 1.978 45 K HA -0.116 4.204 4.320 -0.001 0.000 0.214 45 K C 2.109 178.640 176.600 -0.115 0.000 1.049 45 K CA 2.307 58.486 56.287 -0.179 0.000 0.939 45 K CB -1.677 30.766 32.500 -0.094 0.000 0.721 45 K HN 0.971 nan 8.250 nan 0.000 0.441 46 Y N 0.370 120.694 120.300 0.041 0.000 2.207 46 Y HA -0.052 4.497 4.550 -0.001 0.000 0.287 46 Y C 2.158 178.107 175.900 0.083 0.000 1.156 46 Y CA 0.817 58.946 58.100 0.048 0.000 1.182 46 Y CB -1.332 37.139 38.460 0.019 0.000 0.979 46 Y HN -0.056 nan 8.280 nan 0.000 0.521 47 V N 1.050 121.051 119.914 0.144 0.000 2.427 47 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 47 V C 2.808 179.023 176.094 0.202 0.000 1.051 47 V CA 1.589 64.004 62.300 0.192 0.000 1.048 47 V CB -1.318 30.558 31.823 0.089 0.000 0.666 47 V HN 0.613 nan 8.190 nan 0.000 0.456 48 A N 0.275 123.148 122.820 0.089 0.000 1.933 48 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 48 A C 2.084 179.748 177.584 0.134 0.000 1.175 48 A CA 2.275 54.364 52.037 0.085 0.000 0.628 48 A CB -1.082 17.931 19.000 0.021 0.000 0.814 48 A HN 0.607 nan 8.150 nan 0.000 0.444 49 D N -1.381 119.112 120.400 0.156 0.000 2.149 49 D HA -0.075 4.564 4.640 -0.001 0.000 0.201 49 D C 1.839 178.283 176.300 0.240 0.000 0.972 49 D CA 1.236 55.336 54.000 0.166 0.000 0.835 49 D CB -0.574 40.310 40.800 0.141 0.000 0.966 49 D HN 0.535 nan 8.370 nan 0.000 0.476 50 F N 0.745 120.791 119.950 0.160 0.000 2.171 50 F HA 0.021 4.548 4.527 -0.001 0.000 0.300 50 F C 2.087 178.087 175.800 0.333 0.000 1.090 50 F CA 1.125 59.264 58.000 0.230 0.000 1.293 50 F CB -0.094 39.013 39.000 0.177 0.000 1.013 50 F HN 0.120 nan 8.300 nan 0.000 0.486 51 L N 0.119 121.474 121.223 0.219 0.000 2.056 51 L HA -0.215 4.124 4.340 -0.001 0.000 0.207 51 L C 2.658 179.579 176.870 0.084 0.000 1.078 51 L CA 1.723 56.644 54.840 0.135 0.000 0.749 51 L CB -0.928 41.224 42.059 0.156 0.000 0.901 51 L HN 0.257 nan 8.230 nan 0.000 0.433 52 Q N -0.540 119.320 119.800 0.100 0.000 2.170 52 Q HA -0.271 4.068 4.340 -0.001 0.000 0.203 52 Q C 2.147 178.185 176.000 0.064 0.000 0.976 52 Q CA 1.996 57.846 55.803 0.077 0.000 0.858 52 Q CB -0.217 28.575 28.738 0.089 0.000 0.907 52 Q HN 0.581 nan 8.270 nan 0.000 0.433 53 W N 0.142 121.371 121.300 -0.119 0.000 2.409 53 W HA 0.029 4.688 4.660 -0.001 0.000 0.299 53 W C 1.856 178.243 176.519 -0.220 0.000 1.203 53 W CA 1.648 58.906 57.345 -0.145 0.000 1.298 53 W CB -0.338 29.043 29.460 -0.132 0.000 1.127 53 W HN 0.142 nan 8.180 nan 0.000 0.528 54 A N -0.092 122.461 122.820 -0.445 0.000 2.167 54 A HA -0.054 4.265 4.320 -0.001 0.000 0.214 54 A C 1.717 178.918 177.584 -0.639 0.000 1.151 54 A CA 1.536 53.103 52.037 -0.784 0.000 0.735 54 A CB -0.709 17.918 19.000 -0.622 0.000 0.802 54 A HN 0.403 nan 8.150 nan 0.000 0.467 55 E N 0.985 120.957 120.200 -0.380 0.000 2.031 55 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 55 E C -0.541 175.883 176.600 -0.294 0.000 0.994 55 E CA 2.032 58.267 56.400 -0.276 0.000 0.800 55 E CB -0.724 28.942 29.700 -0.057 0.000 0.752 55 E HN 0.450 nan 8.360 nan 0.000 0.447 56 P HA -0.156 nan 4.420 nan 0.000 0.216 56 P C 1.381 178.507 177.300 -0.290 0.000 1.150 56 P CA 1.429 64.385 63.100 -0.240 0.000 0.837 56 P CB -0.094 31.475 31.700 -0.218 0.000 0.786 57 I N -0.709 119.609 120.570 -0.419 0.000 2.163 57 I HA -0.168 4.002 4.170 -0.001 0.000 0.240 57 I C 2.560 178.478 176.117 -0.331 0.000 1.081 57 I CA 1.147 62.204 61.300 -0.405 0.000 1.353 57 I CB -0.974 36.672 38.000 -0.590 0.000 1.054 57 I HN -0.212 nan 8.210 nan 0.000 0.407 58 V N 0.567 120.236 119.914 -0.408 0.000 2.332 58 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 58 V C 2.499 178.455 176.094 -0.230 0.000 1.055 58 V CA 1.509 63.604 62.300 -0.341 0.000 1.038 58 V CB -0.503 30.998 31.823 -0.536 0.000 0.651 58 V HN 0.242 nan 8.190 nan 0.000 0.450 59 V N 0.095 119.876 119.914 -0.222 0.000 2.255 59 V HA -0.301 3.819 4.120 -0.001 0.000 0.247 59 V C 2.889 178.907 176.094 -0.128 0.000 1.051 59 V CA 2.615 64.828 62.300 -0.145 0.000 1.018 59 V CB -0.723 31.027 31.823 -0.123 0.000 0.641 59 V HN 0.574 nan 8.190 nan 0.000 0.445 60 R N -0.610 119.807 120.500 -0.139 0.000 2.096 60 R HA -0.079 4.261 4.340 -0.001 0.000 0.235 60 R C 2.189 178.422 176.300 -0.111 0.000 1.127 60 R CA 1.773 57.802 56.100 -0.117 0.000 0.968 60 R CB -1.028 29.201 30.300 -0.117 0.000 0.861 60 R HN 0.682 nan 8.270 nan 0.000 0.440 61 L N 0.210 121.359 121.223 -0.123 0.000 2.046 61 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 61 L C 2.841 179.656 176.870 -0.092 0.000 1.077 61 L CA 2.097 56.877 54.840 -0.101 0.000 0.747 61 L CB -0.396 41.602 42.059 -0.100 0.000 0.896 61 L HN 0.332 nan 8.230 nan 0.000 0.432 62 K N -0.160 120.182 120.400 -0.095 0.000 2.148 62 K HA -0.153 4.167 4.320 -0.001 0.000 0.204 62 K C 2.299 178.840 176.600 -0.098 0.000 1.050 62 K CA 1.360 57.597 56.287 -0.085 0.000 0.942 62 K CB -0.188 32.270 32.500 -0.069 0.000 0.724 62 K HN 0.383 nan 8.250 nan 0.000 0.446 63 E N 0.888 121.029 120.200 -0.097 0.000 2.153 63 E HA -0.118 4.232 4.350 -0.001 0.000 0.194 63 E C 1.921 178.452 176.600 -0.115 0.000 0.988 63 E CA 1.685 58.024 56.400 -0.100 0.000 0.811 63 E CB -0.663 28.983 29.700 -0.090 0.000 0.746 63 E HN 0.127 nan 8.360 nan 0.000 0.466 64 V N 0.033 119.879 119.914 -0.113 0.000 3.307 64 V HA 0.177 4.297 4.120 -0.001 0.000 0.253 64 V C 1.272 177.278 176.094 -0.146 0.000 1.149 64 V CA 0.224 62.453 62.300 -0.119 0.000 1.112 64 V CB -0.065 31.701 31.823 -0.094 0.000 0.777 64 V HN 0.300 nan 8.190 nan 0.000 0.464 65 R N -0.014 120.398 120.500 -0.146 0.000 2.500 65 R HA 0.506 4.846 4.340 -0.001 0.000 0.275 65 R C -0.452 175.678 176.300 -0.283 0.000 1.051 65 R CA -0.518 55.477 56.100 -0.175 0.000 1.088 65 R CB 0.781 31.014 30.300 -0.112 0.000 1.063 65 R HN 0.204 nan 8.270 nan 0.000 0.511 66 L N 2.811 123.779 121.223 -0.426 0.000 2.453 66 L HA 0.023 4.363 4.340 -0.001 0.000 0.272 66 L C 0.248 176.636 176.870 -0.802 0.000 1.182 66 L CA 0.608 55.011 54.840 -0.729 0.000 0.858 66 L CB 0.311 41.710 42.059 -1.100 0.000 1.120 66 L HN 0.497 nan 8.230 nan 0.000 0.474 67 Q N 1.925 121.372 119.800 -0.588 0.000 2.458 67 Q HA 0.354 4.694 4.340 -0.001 0.000 0.282 67 Q C 0.394 176.288 176.000 -0.176 0.000 1.106 67 Q CA -0.945 54.667 55.803 -0.317 0.000 0.814 67 Q CB 2.206 30.854 28.738 -0.151 0.000 1.425 67 Q HN 0.396 nan 8.270 nan 0.000 0.437 68 R N 0.671 121.143 120.500 -0.047 0.000 2.103 68 R HA -0.221 4.119 4.340 -0.001 0.000 0.242 68 R C 0.660 177.029 176.300 0.115 0.000 1.142 68 R CA 2.016 58.132 56.100 0.027 0.000 0.960 68 R CB -0.042 30.250 30.300 -0.013 0.000 0.858 68 R HN 0.718 nan 8.270 nan 0.000 0.439 69 D N 0.712 121.129 120.400 0.028 0.000 2.239 69 D HA -0.170 4.469 4.640 -0.001 0.000 0.202 69 D C 1.092 177.363 176.300 -0.049 0.000 0.993 69 D CA 1.217 55.218 54.000 0.001 0.000 0.874 69 D CB -0.266 40.516 40.800 -0.029 0.000 0.922 69 D HN 0.313 nan 8.370 nan 0.000 0.464 70 D N -1.054 119.263 120.400 -0.138 0.000 2.348 70 D HA -0.063 4.577 4.640 -0.001 0.000 0.216 70 D C 0.186 176.204 176.300 -0.470 0.000 0.970 70 D CA 0.431 54.218 54.000 -0.354 0.000 0.889 70 D CB 0.143 40.593 40.800 -0.582 0.000 0.912 70 D HN 0.227 nan 8.370 nan 0.000 0.524 71 F N 0.918 120.827 119.950 -0.067 0.000 2.492 71 F HA 0.306 4.833 4.527 -0.001 0.000 0.327 71 F C 0.814 176.627 175.800 0.022 0.000 1.079 71 F CA -1.036 56.960 58.000 -0.007 0.000 0.967 71 F CB 1.324 40.341 39.000 0.028 0.000 1.169 71 F HN -0.404 nan 8.300 nan 0.000 0.472 72 E N 2.017 122.347 120.200 0.215 0.000 2.227 72 E HA 0.347 4.697 4.350 -0.001 0.000 0.282 72 E C -1.008 175.706 176.600 0.191 0.000 1.015 72 E CA -0.741 55.773 56.400 0.189 0.000 0.823 72 E CB 1.483 31.251 29.700 0.113 0.000 1.081 72 E HN 0.293 nan 8.360 nan 0.000 0.396 73 I N 4.193 124.889 120.570 0.209 0.000 2.322 73 I HA -0.021 4.149 4.170 -0.001 0.000 0.292 73 I C 0.901 177.143 176.117 0.208 0.000 1.060 73 I CA 0.556 61.952 61.300 0.160 0.000 1.309 73 I CB 0.487 38.563 38.000 0.127 0.000 1.415 73 I HN 0.583 nan 8.210 nan 0.000 0.492 74 L N 5.040 126.313 121.223 0.084 0.000 2.221 74 L HA 0.232 4.572 4.340 -0.001 0.000 0.202 74 L C 0.865 177.785 176.870 0.085 0.000 1.074 74 L CA 0.416 55.268 54.840 0.021 0.000 0.795 74 L CB 0.012 42.002 42.059 -0.116 0.000 0.960 74 L HN 0.513 nan 8.230 nan 0.000 0.458 75 K N 0.068 120.491 120.400 0.039 0.000 2.580 75 K HA 0.271 4.591 4.320 -0.001 0.000 0.258 75 K C -1.652 174.955 176.600 0.011 0.000 0.936 75 K CA -0.424 55.883 56.287 0.033 0.000 0.852 75 K CB 2.372 34.876 32.500 0.006 0.000 1.329 75 K HN -0.281 nan 8.250 nan 0.000 0.430 76 V N 6.508 126.437 119.914 0.026 0.000 2.461 76 V HA 0.201 4.320 4.120 -0.001 0.000 0.275 76 V C 1.237 177.345 176.094 0.023 0.000 1.047 76 V CA -0.196 62.115 62.300 0.018 0.000 0.955 76 V CB 0.849 32.685 31.823 0.021 0.000 0.988 76 V HN 0.767 nan 8.190 nan 0.000 0.471 77 I N 1.645 122.230 120.570 0.024 0.000 4.181 77 I HA 0.612 4.782 4.170 -0.001 0.000 0.331 77 I C 0.753 176.900 176.117 0.050 0.000 1.312 77 I CA 0.136 61.465 61.300 0.047 0.000 1.146 77 I CB 0.715 38.759 38.000 0.073 0.000 1.074 77 I HN 0.597 nan 8.210 nan 0.000 0.402 78 G N 1.708 110.530 108.800 0.037 0.000 2.719 78 G HA2 0.677 4.637 3.960 -0.001 0.000 0.298 78 G HA3 0.677 4.637 3.960 -0.001 0.000 0.298 78 G C -1.135 173.775 174.900 0.017 0.000 1.411 78 G CA -0.757 44.362 45.100 0.031 0.000 0.991 78 G HN 0.136 nan 8.290 nan 0.000 0.509 79 R N 1.549 122.053 120.500 0.008 0.000 2.721 79 R HA 0.375 4.715 4.340 -0.001 0.000 0.272 79 R C 0.592 176.879 176.300 -0.023 0.000 1.721 79 R CA -0.611 55.488 56.100 -0.002 0.000 1.325 79 R CB 1.675 31.976 30.300 0.000 0.000 1.271 79 R HN 0.694 nan 8.270 nan 0.000 0.556 80 G N 0.382 109.164 108.800 -0.031 0.000 2.553 80 G HA2 0.309 4.269 3.960 -0.001 0.000 0.278 80 G HA3 0.309 4.269 3.960 -0.001 0.000 0.278 80 G C 1.013 175.821 174.900 -0.153 0.000 1.349 80 G CA 0.185 45.239 45.100 -0.077 0.000 1.037 80 G HN 0.455 nan 8.290 nan 0.000 0.508 81 A N -0.811 121.823 122.820 -0.309 0.000 1.841 81 A HA 0.102 4.422 4.320 -0.001 0.000 0.216 81 A C 1.319 178.530 177.584 -0.621 0.000 1.199 81 A CA 1.298 52.921 52.037 -0.690 0.000 0.621 81 A CB -0.421 17.866 19.000 -1.187 0.000 0.835 81 A HN 0.578 nan 8.150 nan 0.000 0.445 82 F N -0.244 119.713 119.950 0.010 0.000 2.881 82 F HA 0.388 4.914 4.527 -0.001 0.000 0.343 82 F C 0.351 176.154 175.800 0.006 0.000 1.233 82 F CA 0.148 58.151 58.000 0.006 0.000 1.262 82 F CB 0.644 39.646 39.000 0.004 0.000 0.980 82 F HN 0.239 nan 8.300 nan 0.000 0.506 83 S N -1.203 114.558 115.700 0.103 0.000 2.567 83 S HA 0.549 5.019 4.470 -0.001 0.000 0.270 83 S C -1.356 173.260 174.600 0.027 0.000 1.152 83 S CA -0.975 57.263 58.200 0.063 0.000 0.835 83 S CB 2.380 65.618 63.200 0.063 0.000 1.115 83 S HN 0.196 nan 8.310 nan 0.000 0.459 84 E N 0.510 120.717 120.200 0.011 0.000 2.256 84 E HA 0.686 5.035 4.350 -0.001 0.000 0.267 84 E C -1.429 175.174 176.600 0.004 0.000 0.892 84 E CA -1.112 55.290 56.400 0.004 0.000 0.775 84 E CB 2.381 32.078 29.700 -0.006 0.000 1.207 84 E HN 0.477 nan 8.360 nan 0.000 0.420 85 V N 1.658 121.581 119.914 0.015 0.000 2.487 85 V HA 0.691 4.810 4.120 -0.001 0.000 0.298 85 V C -0.569 175.531 176.094 0.010 0.000 1.028 85 V CA -0.555 61.758 62.300 0.022 0.000 0.860 85 V CB 1.438 33.289 31.823 0.048 0.000 0.991 85 V HN 0.775 nan 8.190 nan 0.000 0.427 86 A N 4.156 126.972 122.820 -0.007 0.000 2.401 86 A HA 0.835 5.155 4.320 -0.001 0.000 0.310 86 A C -0.691 176.845 177.584 -0.081 0.000 1.075 86 A CA -0.636 51.384 52.037 -0.028 0.000 0.746 86 A CB 1.784 20.779 19.000 -0.008 0.000 1.277 86 A HN 0.610 nan 8.150 nan 0.000 0.425 87 V N 2.485 122.304 119.914 -0.158 0.000 2.479 87 V HA 0.354 4.473 4.120 -0.001 0.000 0.281 87 V C 0.433 176.456 176.094 -0.118 0.000 1.031 87 V CA 0.428 62.555 62.300 -0.289 0.000 1.038 87 V CB 0.518 32.081 31.823 -0.433 0.000 0.981 87 V HN 1.000 nan 8.190 nan 0.000 0.478 88 V N 2.966 122.854 119.914 -0.043 0.000 3.074 88 V HA 0.738 4.857 4.120 -0.001 0.000 0.314 88 V C -0.590 175.600 176.094 0.161 0.000 1.117 88 V CA -1.106 61.242 62.300 0.079 0.000 1.014 88 V CB 2.124 34.006 31.823 0.099 0.000 1.057 88 V HN 0.759 nan 8.190 nan 0.000 0.438 89 K N 3.035 123.556 120.400 0.202 0.000 2.413 89 K HA 0.537 4.856 4.320 -0.001 0.000 0.257 89 K C -0.796 175.946 176.600 0.237 0.000 0.946 89 K CA -0.765 55.629 56.287 0.177 0.000 0.823 89 K CB 1.929 34.442 32.500 0.021 0.000 1.109 89 K HN 1.011 nan 8.250 nan 0.000 0.427 90 M N 4.696 124.448 119.600 0.254 0.000 2.219 90 M HA 0.083 4.563 4.480 -0.001 0.000 0.353 90 M C 0.451 176.680 176.300 -0.120 0.000 1.304 90 M CA 0.636 55.877 55.300 -0.098 0.000 1.115 90 M CB 0.717 33.296 32.600 -0.036 0.000 1.664 90 M HN 0.592 nan 8.290 nan 0.000 0.459 91 K N 1.929 122.200 120.400 -0.214 0.000 2.167 91 K HA -0.066 4.254 4.320 -0.001 0.000 0.203 91 K C 1.702 178.230 176.600 -0.120 0.000 1.052 91 K CA 0.896 57.103 56.287 -0.133 0.000 0.956 91 K CB 0.109 32.529 32.500 -0.133 0.000 0.735 91 K HN 0.704 nan 8.250 nan 0.000 0.451 92 Q N -0.016 119.690 119.800 -0.156 0.000 2.119 92 Q HA -0.096 4.244 4.340 -0.001 0.000 0.201 92 Q C 2.038 177.990 176.000 -0.079 0.000 0.972 92 Q CA 1.969 57.701 55.803 -0.118 0.000 0.847 92 Q CB 0.043 28.698 28.738 -0.140 0.000 0.903 92 Q HN 0.492 nan 8.270 nan 0.000 0.433 93 T N -5.417 109.096 114.554 -0.067 0.000 2.990 93 T HA 0.316 4.665 4.350 -0.001 0.000 0.249 93 T C 1.376 176.056 174.700 -0.034 0.000 1.039 93 T CA 0.819 62.898 62.100 -0.035 0.000 1.036 93 T CB 0.666 69.534 68.868 0.001 0.000 0.994 93 T HN 0.335 nan 8.240 nan 0.000 0.489 94 G N 1.476 110.253 108.800 -0.039 0.000 2.184 94 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.264 94 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.264 94 G C -0.071 174.798 174.900 -0.053 0.000 0.975 94 G CA 0.226 45.301 45.100 -0.041 0.000 0.642 94 G HN 0.701 nan 8.290 nan 0.000 0.536 95 Q N -0.104 119.662 119.800 -0.057 0.000 2.337 95 Q HA 0.456 4.796 4.340 -0.001 0.000 0.270 95 Q C 0.481 176.326 176.000 -0.259 0.000 1.002 95 Q CA 0.076 55.766 55.803 -0.189 0.000 0.888 95 Q CB 2.009 30.600 28.738 -0.246 0.000 1.222 95 Q HN 0.388 nan 8.270 nan 0.000 0.400 96 V N 4.451 124.172 119.914 -0.322 0.000 2.607 96 V HA 0.423 4.542 4.120 -0.001 0.000 0.289 96 V C -1.307 174.552 176.094 -0.392 0.000 1.053 96 V CA -0.047 62.123 62.300 -0.217 0.000 0.996 96 V CB 0.305 32.074 31.823 -0.090 0.000 0.995 96 V HN 0.684 nan 8.190 nan 0.000 0.476 97 Y N 3.216 123.545 120.300 0.047 0.000 2.655 97 Y HA 0.751 5.300 4.550 -0.001 0.000 0.336 97 Y C 0.068 175.949 175.900 -0.032 0.000 1.154 97 Y CA -0.519 57.617 58.100 0.061 0.000 1.055 97 Y CB 2.054 40.596 38.460 0.137 0.000 1.295 97 Y HN 0.749 nan 8.280 nan 0.000 0.465 98 A N 2.088 125.034 122.820 0.209 0.000 2.303 98 A HA 0.751 5.071 4.320 -0.001 0.000 0.320 98 A C -1.095 176.543 177.584 0.089 0.000 1.192 98 A CA -0.622 51.463 52.037 0.079 0.000 0.821 98 A CB 0.822 19.919 19.000 0.162 0.000 1.188 98 A HN 0.759 nan 8.150 nan 0.000 0.492 99 M N 3.491 123.101 119.600 0.016 0.000 2.181 99 M HA 0.434 4.914 4.480 -0.001 0.000 0.323 99 M C -0.661 175.642 176.300 0.005 0.000 1.004 99 M CA -0.406 54.880 55.300 -0.024 0.000 0.941 99 M CB 1.140 33.665 32.600 -0.126 0.000 1.579 99 M HN 0.672 nan 8.290 nan 0.000 0.427 100 K N 5.956 126.370 120.400 0.023 0.000 2.183 100 K HA 0.596 4.916 4.320 -0.001 0.000 0.274 100 K C -1.591 174.987 176.600 -0.037 0.000 1.009 100 K CA -0.447 55.851 56.287 0.018 0.000 0.888 100 K CB 0.902 33.437 32.500 0.057 0.000 1.078 100 K HN 0.794 nan 8.250 nan 0.000 0.459 101 I N 5.046 125.570 120.570 -0.077 0.000 2.465 101 I HA 0.347 4.517 4.170 -0.001 0.000 0.291 101 I C -0.510 175.524 176.117 -0.137 0.000 1.014 101 I CA -0.886 60.286 61.300 -0.213 0.000 1.093 101 I CB 1.960 39.813 38.000 -0.245 0.000 1.267 101 I HN 0.556 nan 8.210 nan 0.000 0.431 102 M N 4.710 124.201 119.600 -0.182 0.000 2.644 102 M HA 0.383 4.863 4.480 -0.001 0.000 0.304 102 M C -0.471 175.793 176.300 -0.060 0.000 1.215 102 M CA -0.697 54.558 55.300 -0.076 0.000 0.871 102 M CB 2.108 34.659 32.600 -0.082 0.000 1.740 102 M HN 0.405 nan 8.290 nan 0.000 0.464 103 N N 1.349 120.034 118.700 -0.025 0.000 2.419 103 N HA 0.218 4.958 4.740 -0.001 0.000 0.264 103 N C 0.084 175.456 175.510 -0.229 0.000 1.031 103 N CA 0.148 53.125 53.050 -0.121 0.000 0.951 103 N CB 1.203 39.681 38.487 -0.016 0.000 1.101 103 N HN 0.606 nan 8.380 nan 0.000 0.488 104 K N 2.604 122.781 120.400 -0.372 0.000 2.063 104 K HA -0.170 4.150 4.320 -0.001 0.000 0.208 104 K C 1.662 178.237 176.600 -0.042 0.000 1.048 104 K CA 1.272 57.319 56.287 -0.400 0.000 0.928 104 K CB -0.007 32.139 32.500 -0.589 0.000 0.713 104 K HN 0.669 nan 8.250 nan 0.000 0.442 105 W N 2.293 123.451 121.300 -0.238 0.000 2.363 105 W HA -0.255 4.405 4.660 -0.000 0.000 0.296 105 W C 0.920 177.351 176.519 -0.147 0.000 1.212 105 W CA 0.984 58.233 57.345 -0.160 0.000 1.260 105 W CB 0.078 29.442 29.460 -0.160 0.000 1.131 105 W HN 0.145 nan 8.180 nan 0.000 0.530 106 D N 0.264 120.549 120.400 -0.192 0.000 2.097 106 D HA -0.224 4.416 4.640 -0.001 0.000 0.195 106 D C 2.235 178.305 176.300 -0.384 0.000 0.989 106 D CA 1.600 55.371 54.000 -0.380 0.000 0.827 106 D CB -0.618 40.007 40.800 -0.292 0.000 0.966 106 D HN 0.098 nan 8.370 nan 0.000 0.456 107 M N 0.143 119.609 119.600 -0.224 0.000 2.202 107 M HA -0.083 4.397 4.480 -0.001 0.000 0.262 107 M C 2.356 178.614 176.300 -0.069 0.000 1.063 107 M CA 0.877 56.106 55.300 -0.118 0.000 1.097 107 M CB -0.932 31.586 32.600 -0.136 0.000 1.382 107 M HN 0.078 nan 8.290 nan 0.000 0.413 108 L N -0.658 120.515 121.223 -0.083 0.000 2.109 108 L HA -0.183 4.156 4.340 -0.001 0.000 0.207 108 L C 2.467 179.195 176.870 -0.236 0.000 1.086 108 L CA 1.013 55.806 54.840 -0.078 0.000 0.760 108 L CB -0.500 41.593 42.059 0.056 0.000 0.910 108 L HN 0.303 nan 8.230 nan 0.000 0.437 109 K N 0.102 120.228 120.400 -0.457 0.000 2.031 109 K HA -0.107 4.213 4.320 -0.001 0.000 0.205 109 K C 2.623 179.034 176.600 -0.316 0.000 1.049 109 K CA 1.305 57.303 56.287 -0.482 0.000 0.939 109 K CB -0.243 31.839 32.500 -0.697 0.000 0.717 109 K HN 0.216 nan 8.250 nan 0.000 0.438 110 R N 1.529 121.828 120.500 -0.336 0.000 2.105 110 R HA -0.049 4.291 4.340 -0.001 0.000 0.239 110 R C 1.479 177.706 176.300 -0.121 0.000 1.135 110 R CA 1.879 57.828 56.100 -0.251 0.000 0.967 110 R CB -1.711 28.390 30.300 -0.332 0.000 0.861 110 R HN 0.528 nan 8.270 nan 0.000 0.442 111 G N -1.949 106.797 108.800 -0.090 0.000 2.547 111 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.271 111 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.271 111 G C 1.308 176.205 174.900 -0.005 0.000 1.209 111 G CA 1.895 46.972 45.100 -0.039 0.000 0.959 111 G HN 1.451 nan 8.290 nan 0.000 0.563 112 E N -1.182 119.007 120.200 -0.017 0.000 2.233 112 E HA -0.073 4.276 4.350 -0.001 0.000 0.199 112 E C 2.925 179.520 176.600 -0.009 0.000 1.004 112 E CA 3.331 59.720 56.400 -0.018 0.000 0.819 112 E CB -0.551 29.136 29.700 -0.023 0.000 0.738 112 E HN 1.540 nan 8.360 nan 0.000 0.478 113 V N 1.443 121.357 119.914 0.000 0.000 2.427 113 V HA -0.098 4.022 4.120 -0.001 0.000 0.248 113 V C 1.876 177.993 176.094 0.039 0.000 1.051 113 V CA 1.284 63.596 62.300 0.020 0.000 1.048 113 V CB -0.581 31.259 31.823 0.029 0.000 0.666 113 V HN 0.682 nan 8.190 nan 0.000 0.456 114 S N -0.866 114.866 115.700 0.053 0.000 2.601 114 S HA 0.165 4.634 4.470 -0.001 0.000 0.271 114 S C -0.027 174.610 174.600 0.063 0.000 1.305 114 S CA -0.418 57.847 58.200 0.108 0.000 1.022 114 S CB 1.161 64.468 63.200 0.179 0.000 0.940 114 S HN 0.345 nan 8.310 nan 0.000 0.525 115 C N 3.455 122.800 119.300 0.075 0.000 2.660 115 C HA 0.285 4.744 4.460 -0.001 0.000 0.265 115 C C 1.348 176.341 174.990 0.005 0.000 1.573 115 C CA -0.933 58.072 59.018 -0.023 0.000 1.751 115 C CB -2.575 25.175 27.740 0.017 0.000 3.033 115 C HN 0.972 nan 8.230 nan 0.000 0.511 116 F N 1.449 121.479 119.950 0.134 0.000 2.216 116 F HA -0.087 4.440 4.527 -0.001 0.000 0.300 116 F C 2.310 178.256 175.800 0.242 0.000 1.085 116 F CA 1.338 59.469 58.000 0.218 0.000 1.326 116 F CB -0.495 38.668 39.000 0.273 0.000 1.027 116 F HN 0.149 nan 8.300 nan 0.000 0.497 117 R N 0.771 120.948 120.500 -0.539 0.000 2.075 117 R HA -0.097 4.242 4.340 -0.001 0.000 0.232 117 R C 1.863 178.091 176.300 -0.119 0.000 1.126 117 R CA 1.917 57.843 56.100 -0.289 0.000 0.963 117 R CB -0.537 29.461 30.300 -0.503 0.000 0.858 117 R HN 0.377 nan 8.270 nan 0.000 0.435 118 E N -0.020 120.114 120.200 -0.109 0.000 2.072 118 E HA -0.129 4.220 4.350 -0.001 0.000 0.190 118 E C 1.723 178.232 176.600 -0.152 0.000 0.982 118 E CA 1.284 57.645 56.400 -0.064 0.000 0.803 118 E CB -0.149 29.575 29.700 0.040 0.000 0.755 118 E HN 0.478 nan 8.360 nan 0.000 0.453 119 E N 0.884 121.054 120.200 -0.050 0.000 2.070 119 E HA -0.298 4.052 4.350 -0.001 0.000 0.197 119 E C 2.218 178.751 176.600 -0.113 0.000 1.004 119 E CA 1.157 57.553 56.400 -0.006 0.000 0.805 119 E CB 0.066 29.835 29.700 0.115 0.000 0.744 119 E HN 0.007 nan 8.360 nan 0.000 0.451 120 R N 0.531 120.960 120.500 -0.118 0.000 2.066 120 R HA -0.146 4.194 4.340 -0.001 0.000 0.232 120 R C 1.646 177.769 176.300 -0.296 0.000 1.131 120 R CA 1.936 57.879 56.100 -0.262 0.000 0.955 120 R CB -0.451 29.580 30.300 -0.449 0.000 0.851 120 R HN 0.235 nan 8.270 nan 0.000 0.432 121 D N 0.239 120.492 120.400 -0.245 0.000 2.149 121 D HA -0.126 4.514 4.640 -0.001 0.000 0.198 121 D C 1.993 178.079 176.300 -0.356 0.000 0.990 121 D CA 1.077 54.935 54.000 -0.236 0.000 0.839 121 D CB -0.130 40.607 40.800 -0.106 0.000 0.948 121 D HN 0.083 nan 8.370 nan 0.000 0.460 122 V N 0.971 120.571 119.914 -0.524 0.000 2.307 122 V HA -0.198 3.922 4.120 -0.001 0.000 0.245 122 V C 2.663 178.407 176.094 -0.584 0.000 1.045 122 V CA 1.071 62.978 62.300 -0.654 0.000 1.024 122 V CB -0.468 30.861 31.823 -0.824 0.000 0.651 122 V HN 0.187 nan 8.190 nan 0.000 0.449 123 L N -0.350 120.548 121.223 -0.541 0.000 2.127 123 L HA -0.156 4.184 4.340 -0.001 0.000 0.211 123 L C 2.315 178.933 176.870 -0.419 0.000 1.089 123 L CA 1.093 55.666 54.840 -0.444 0.000 0.757 123 L CB -0.514 41.373 42.059 -0.287 0.000 0.899 123 L HN 0.221 nan 8.230 nan 0.000 0.434 124 V N -0.698 118.941 119.914 -0.458 0.000 2.788 124 V HA -0.088 4.031 4.120 -0.001 0.000 0.251 124 V C 1.634 177.508 176.094 -0.366 0.000 1.068 124 V CA 1.279 63.233 62.300 -0.577 0.000 1.090 124 V CB -0.317 31.144 31.823 -0.603 0.000 0.710 124 V HN 0.502 nan 8.190 nan 0.000 0.467 125 N N -0.025 118.517 118.700 -0.264 0.000 2.220 125 N HA 0.117 4.856 4.740 -0.001 0.000 0.195 125 N C 1.046 176.477 175.510 -0.131 0.000 1.123 125 N CA 0.471 53.430 53.050 -0.151 0.000 0.874 125 N CB 0.930 39.366 38.487 -0.084 0.000 0.995 125 N HN 0.469 nan 8.380 nan 0.000 0.498 126 G N 0.674 109.353 108.800 -0.201 0.000 2.684 126 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.255 126 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.255 126 G C -0.459 174.392 174.900 -0.082 0.000 1.219 126 G CA -0.048 44.956 45.100 -0.160 0.000 0.901 126 G HN -0.013 nan 8.290 nan 0.000 0.548 127 D N -0.892 119.503 120.400 -0.008 0.000 2.347 127 D HA 0.175 4.815 4.640 -0.001 0.000 0.235 127 D C 1.427 177.739 176.300 0.018 0.000 1.149 127 D CA -0.451 53.572 54.000 0.039 0.000 0.850 127 D CB 0.814 41.705 40.800 0.150 0.000 1.061 127 D HN 0.296 nan 8.370 nan 0.000 0.487 128 R N 2.510 122.987 120.500 -0.039 0.000 2.328 128 R HA 0.040 4.380 4.340 -0.001 0.000 0.207 128 R C 1.828 178.059 176.300 -0.115 0.000 1.056 128 R CA 0.459 56.527 56.100 -0.053 0.000 1.016 128 R CB 0.286 30.553 30.300 -0.056 0.000 0.872 128 R HN 0.380 nan 8.270 nan 0.000 0.471 129 R N -0.891 119.466 120.500 -0.238 0.000 2.120 129 R HA -0.159 4.181 4.340 -0.001 0.000 0.234 129 R C 0.894 176.783 176.300 -0.685 0.000 1.123 129 R CA 1.613 57.374 56.100 -0.566 0.000 0.975 129 R CB 0.039 29.825 30.300 -0.857 0.000 0.866 129 R HN 0.379 nan 8.270 nan 0.000 0.446 130 W N 0.079 121.371 121.300 -0.012 0.000 3.097 130 W HA 0.290 4.949 4.660 -0.000 0.000 0.245 130 W C 0.726 177.252 176.519 0.011 0.000 1.120 130 W CA -0.855 56.486 57.345 -0.007 0.000 1.468 130 W CB 0.384 29.847 29.460 0.004 0.000 0.851 130 W HN -0.121 nan 8.180 nan 0.000 0.692 131 I N -0.014 120.696 120.570 0.233 0.000 2.664 131 I HA 0.567 4.737 4.170 -0.001 0.000 0.308 131 I C 0.820 177.025 176.117 0.146 0.000 0.984 131 I CA -0.929 60.505 61.300 0.224 0.000 1.213 131 I CB 1.009 39.085 38.000 0.127 0.000 1.379 131 I HN -0.177 nan 8.210 nan 0.000 0.501 132 T N 1.418 116.109 114.554 0.228 0.000 2.933 132 T HA 0.003 4.352 4.350 -0.001 0.000 0.306 132 T C -0.022 174.818 174.700 0.232 0.000 1.045 132 T CA -0.309 61.973 62.100 0.302 0.000 1.143 132 T CB 0.564 69.678 68.868 0.410 0.000 1.003 132 T HN 0.807 nan 8.240 nan 0.000 0.540 133 Q N 1.937 121.905 119.800 0.279 0.000 2.337 133 Q HA 0.365 4.705 4.340 -0.001 0.000 0.255 133 Q C -0.750 175.193 176.000 -0.096 0.000 0.997 133 Q CA -0.917 54.897 55.803 0.018 0.000 0.925 133 Q CB 0.482 29.196 28.738 -0.041 0.000 1.212 133 Q HN 0.716 nan 8.270 nan 0.000 0.436 134 L N 5.279 126.423 121.223 -0.131 0.000 2.319 134 L HA 0.153 4.492 4.340 -0.001 0.000 0.280 134 L C 0.219 176.982 176.870 -0.178 0.000 1.099 134 L CA 0.432 55.216 54.840 -0.094 0.000 0.828 134 L CB 0.614 42.606 42.059 -0.112 0.000 1.150 134 L HN 0.776 nan 8.230 nan 0.000 0.442 135 H N 4.891 123.898 119.070 -0.106 0.000 2.379 135 H HA 0.235 4.790 4.556 -0.001 0.000 0.308 135 H C -0.543 174.388 175.328 -0.662 0.000 1.047 135 H CA 0.876 56.613 56.048 -0.519 0.000 1.371 135 H CB 0.279 29.492 29.762 -0.915 0.000 1.449 135 H HN 0.475 nan 8.280 nan 0.000 0.564 136 F N -0.331 119.817 119.950 0.330 0.000 2.578 136 F HA 0.639 5.166 4.527 -0.001 0.000 0.311 136 F C -0.257 175.771 175.800 0.381 0.000 1.094 136 F CA -1.223 56.974 58.000 0.327 0.000 0.923 136 F CB 1.689 40.854 39.000 0.276 0.000 1.230 136 F HN -0.043 nan 8.300 nan 0.000 0.450 137 A N 2.884 126.065 122.820 0.602 0.000 2.350 137 A HA 0.975 5.294 4.320 -0.001 0.000 0.324 137 A C -1.313 176.639 177.584 0.612 0.000 1.118 137 A CA -0.597 51.721 52.037 0.468 0.000 0.783 137 A CB 1.090 20.248 19.000 0.263 0.000 1.236 137 A HN 0.921 nan 8.150 nan 0.000 0.457 138 F N -0.635 119.593 119.950 0.462 0.000 2.773 138 F HA 0.711 5.238 4.527 -0.001 0.000 0.314 138 F C -0.934 175.104 175.800 0.396 0.000 1.160 138 F CA -0.956 57.266 58.000 0.370 0.000 0.920 138 F CB 1.056 40.183 39.000 0.212 0.000 1.323 138 F HN 0.757 nan 8.300 nan 0.000 0.457 139 Q N 0.433 120.532 119.800 0.497 0.000 2.495 139 Q HA 0.750 5.090 4.340 -0.001 0.000 0.287 139 Q C -2.228 173.979 176.000 0.345 0.000 1.078 139 Q CA -0.929 55.050 55.803 0.293 0.000 0.793 139 Q CB 3.270 32.031 28.738 0.039 0.000 1.459 139 Q HN 0.781 nan 8.270 nan 0.000 0.422 140 D N -0.924 119.636 120.400 0.267 0.000 2.781 140 D HA 0.314 4.954 4.640 -0.001 0.000 0.295 140 D C 0.867 177.190 176.300 0.039 0.000 1.143 140 D CA 0.029 54.138 54.000 0.182 0.000 1.076 140 D CB -0.162 40.816 40.800 0.295 0.000 1.444 140 D HN 0.618 nan 8.370 nan 0.000 0.567 141 E N -0.190 120.029 120.200 0.032 0.000 2.114 141 E HA -0.263 4.086 4.350 -0.001 0.000 0.199 141 E C 1.315 177.956 176.600 0.068 0.000 1.008 141 E CA 2.283 58.712 56.400 0.047 0.000 0.810 141 E CB -0.939 28.795 29.700 0.056 0.000 0.739 141 E HN 0.486 nan 8.360 nan 0.000 0.456 142 N N -2.098 116.540 118.700 -0.103 0.000 2.397 142 N HA 0.175 4.915 4.740 -0.001 0.000 0.190 142 N C -0.560 174.521 175.510 -0.715 0.000 1.099 142 N CA 0.207 52.980 53.050 -0.461 0.000 0.876 142 N CB 0.646 38.697 38.487 -0.728 0.000 1.143 142 N HN 0.513 nan 8.380 nan 0.000 0.468 143 Y N 0.081 120.257 120.300 -0.207 0.000 2.536 143 Y HA 0.551 5.101 4.550 -0.001 0.000 0.347 143 Y C -0.119 175.406 175.900 -0.624 0.000 1.000 143 Y CA -0.939 56.887 58.100 -0.457 0.000 1.051 143 Y CB 1.887 40.000 38.460 -0.579 0.000 1.259 143 Y HN -0.317 nan 8.280 nan 0.000 0.468 144 L N 2.362 123.208 121.223 -0.628 0.000 2.344 144 L HA 0.545 4.885 4.340 -0.001 0.000 0.272 144 L C -1.442 174.964 176.870 -0.774 0.000 1.035 144 L CA -0.933 53.493 54.840 -0.689 0.000 0.807 144 L CB 1.157 42.721 42.059 -0.825 0.000 1.237 144 L HN 0.574 nan 8.230 nan 0.000 0.442 145 Y N 2.170 122.255 120.300 -0.359 0.000 2.386 145 Y HA 0.535 5.085 4.550 -0.001 0.000 0.334 145 Y C -0.653 175.105 175.900 -0.238 0.000 1.002 145 Y CA -0.597 57.221 58.100 -0.471 0.000 1.068 145 Y CB 1.688 39.419 38.460 -1.214 0.000 1.203 145 Y HN 0.274 nan 8.280 nan 0.000 0.443 146 L N 4.345 125.596 121.223 0.045 0.000 2.319 146 L HA 0.636 4.976 4.340 -0.001 0.000 0.281 146 L C -0.923 175.994 176.870 0.078 0.000 1.005 146 L CA -1.041 53.865 54.840 0.111 0.000 0.828 146 L CB 1.549 43.690 42.059 0.136 0.000 1.227 146 L HN 0.373 nan 8.230 nan 0.000 0.415 147 V N 4.579 124.572 119.914 0.132 0.000 2.333 147 V HA 0.408 4.527 4.120 -0.001 0.000 0.274 147 V C 0.371 176.576 176.094 0.185 0.000 1.028 147 V CA -0.352 62.016 62.300 0.113 0.000 0.851 147 V CB 1.136 33.052 31.823 0.155 0.000 1.000 147 V HN 0.636 nan 8.190 nan 0.000 0.456 148 M N 2.421 122.152 119.600 0.218 0.000 2.654 148 M HA 0.522 5.002 4.480 -0.001 0.000 0.310 148 M C 0.005 176.555 176.300 0.417 0.000 1.211 148 M CA -1.082 54.387 55.300 0.281 0.000 0.947 148 M CB 1.169 33.905 32.600 0.228 0.000 1.647 148 M HN 0.623 nan 8.290 nan 0.000 0.481 149 E N 1.006 121.422 120.200 0.360 0.000 2.414 149 E HA -0.040 4.310 4.350 -0.001 0.000 0.263 149 E C -1.545 174.951 176.600 -0.173 0.000 1.000 149 E CA 0.294 56.764 56.400 0.117 0.000 0.914 149 E CB 0.339 29.953 29.700 -0.144 0.000 0.948 149 E HN 0.368 nan 8.360 nan 0.000 0.444 150 Y N 5.687 125.835 120.300 -0.253 0.000 2.452 150 Y HA 0.205 4.754 4.550 -0.001 0.000 0.348 150 Y C -1.351 174.368 175.900 -0.301 0.000 0.985 150 Y CA -0.926 57.055 58.100 -0.198 0.000 1.214 150 Y CB -0.104 38.317 38.460 -0.066 0.000 1.136 150 Y HN 0.463 nan 8.280 nan 0.000 0.523 151 Y N 5.707 125.952 120.300 -0.091 0.000 2.452 151 Y HA 0.264 4.814 4.550 -0.000 0.000 0.348 151 Y C 1.160 176.806 175.900 -0.424 0.000 0.985 151 Y CA -0.506 57.483 58.100 -0.184 0.000 1.214 151 Y CB 0.967 39.416 38.460 -0.019 0.000 1.136 151 Y HN 0.538 nan 8.280 nan 0.000 0.523 152 V N 0.116 119.841 119.914 -0.314 0.000 3.649 152 V HA 0.222 4.342 4.120 -0.001 0.000 0.275 152 V C 1.411 177.446 176.094 -0.098 0.000 1.281 152 V CA 1.158 63.242 62.300 -0.360 0.000 1.143 152 V CB -0.137 31.508 31.823 -0.297 0.000 0.892 152 V HN 0.896 nan 8.190 nan 0.000 0.441 153 G N -0.006 108.792 108.800 -0.004 0.000 2.985 153 G HA2 0.471 4.431 3.960 -0.001 0.000 0.209 153 G HA3 0.471 4.431 3.960 -0.001 0.000 0.209 153 G C 0.933 175.876 174.900 0.071 0.000 1.165 153 G CA 0.548 45.680 45.100 0.053 0.000 0.776 153 G HN 1.464 nan 8.290 nan 0.000 0.541 154 G N 0.279 109.108 108.800 0.048 0.000 2.725 154 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.220 154 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.220 154 G C -0.501 174.417 174.900 0.030 0.000 1.357 154 G CA -0.089 45.042 45.100 0.051 0.000 0.866 154 G HN 0.752 nan 8.290 nan 0.000 0.548 155 D N -1.162 119.242 120.400 0.007 0.000 2.392 155 D HA 0.472 5.112 4.640 -0.001 0.000 0.246 155 D C 1.565 177.816 176.300 -0.082 0.000 1.013 155 D CA -0.802 53.173 54.000 -0.042 0.000 0.993 155 D CB 1.534 42.308 40.800 -0.043 0.000 1.219 155 D HN 0.398 nan 8.370 nan 0.000 0.538 156 L N -0.000 121.135 121.223 -0.146 0.000 2.201 156 L HA -0.138 4.202 4.340 -0.001 0.000 0.212 156 L C 2.384 179.197 176.870 -0.095 0.000 1.105 156 L CA 0.463 55.197 54.840 -0.178 0.000 0.775 156 L CB -0.258 41.678 42.059 -0.205 0.000 0.913 156 L HN 0.397 nan 8.230 nan 0.000 0.440 157 L N -0.421 120.750 121.223 -0.087 0.000 1.994 157 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 157 L C 2.458 179.327 176.870 -0.002 0.000 1.071 157 L CA 2.118 56.941 54.840 -0.029 0.000 0.745 157 L CB -0.798 41.240 42.059 -0.034 0.000 0.892 157 L HN 0.123 nan 8.230 nan 0.000 0.431 158 T N -0.016 114.535 114.554 -0.004 0.000 2.665 158 T HA -0.266 4.084 4.350 -0.001 0.000 0.268 158 T C 1.805 176.519 174.700 0.024 0.000 1.035 158 T CA 1.990 64.101 62.100 0.019 0.000 1.151 158 T CB -0.525 68.360 68.868 0.028 0.000 0.862 158 T HN 0.351 nan 8.240 nan 0.000 0.438 159 L N 0.908 122.128 121.223 -0.006 0.000 1.955 159 L HA -0.089 4.251 4.340 -0.001 0.000 0.213 159 L C 2.314 179.189 176.870 0.009 0.000 1.072 159 L CA 1.714 56.538 54.840 -0.027 0.000 0.755 159 L CB -0.722 41.243 42.059 -0.156 0.000 0.888 159 L HN 0.237 nan 8.230 nan 0.000 0.432 160 L N -0.713 120.491 121.223 -0.030 0.000 1.963 160 L HA -0.329 4.011 4.340 -0.001 0.000 0.220 160 L C 2.572 179.482 176.870 0.066 0.000 1.076 160 L CA 2.100 56.937 54.840 -0.006 0.000 0.772 160 L CB -1.233 40.833 42.059 0.011 0.000 0.892 160 L HN 0.408 nan 8.230 nan 0.000 0.435 161 S N -0.471 115.263 115.700 0.057 0.000 2.381 161 S HA -0.250 4.220 4.470 -0.001 0.000 0.230 161 S C 2.047 176.690 174.600 0.072 0.000 1.052 161 S CA 1.982 60.219 58.200 0.062 0.000 1.068 161 S CB -0.343 62.887 63.200 0.049 0.000 0.918 161 S HN 0.283 nan 8.310 nan 0.000 0.448 162 K N 0.128 120.575 120.400 0.078 0.000 2.366 162 K HA 0.241 4.560 4.320 -0.001 0.000 0.198 162 K C 1.497 178.141 176.600 0.074 0.000 1.044 162 K CA 0.264 56.591 56.287 0.067 0.000 0.973 162 K CB -0.679 31.858 32.500 0.061 0.000 0.767 162 K HN 0.553 nan 8.250 nan 0.000 0.475 163 F N 0.597 120.530 119.950 -0.029 0.000 2.146 163 F HA 0.045 4.572 4.527 -0.001 0.000 0.298 163 F C 1.880 177.672 175.800 -0.014 0.000 1.096 163 F CA 1.875 59.853 58.000 -0.036 0.000 1.275 163 F CB 0.038 38.991 39.000 -0.077 0.000 1.008 163 F HN 0.356 nan 8.300 nan 0.000 0.480 164 G N -0.079 108.809 108.800 0.147 0.000 2.175 164 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.244 164 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.244 164 G C 0.006 174.968 174.900 0.104 0.000 0.982 164 G CA 0.267 45.404 45.100 0.062 0.000 0.641 164 G HN 0.471 nan 8.290 nan 0.000 0.527 165 E N -0.833 119.508 120.200 0.235 0.000 2.449 165 E HA 0.590 4.940 4.350 -0.001 0.000 0.278 165 E C -0.583 176.123 176.600 0.177 0.000 0.992 165 E CA -1.256 55.256 56.400 0.186 0.000 0.807 165 E CB 1.057 30.873 29.700 0.193 0.000 1.350 165 E HN 0.130 nan 8.360 nan 0.000 0.462 166 R N 0.956 121.497 120.500 0.069 0.000 2.570 166 R HA 0.191 4.530 4.340 -0.001 0.000 0.277 166 R C 0.591 176.841 176.300 -0.084 0.000 1.039 166 R CA -0.177 55.907 56.100 -0.027 0.000 1.065 166 R CB -0.815 29.468 30.300 -0.028 0.000 0.964 166 R HN 0.497 nan 8.270 nan 0.000 0.428 167 I N 0.597 120.995 120.570 -0.286 0.000 2.882 167 I HA 0.420 4.590 4.170 -0.001 0.000 0.286 167 I C -1.915 174.060 176.117 -0.235 0.000 1.139 167 I CA -2.216 58.778 61.300 -0.511 0.000 1.379 167 I CB 0.207 37.802 38.000 -0.676 0.000 1.410 167 I HN 0.399 nan 8.210 nan 0.000 0.594 168 P HA 0.132 nan 4.420 nan 0.000 0.270 168 P C 0.309 177.571 177.300 -0.063 0.000 1.223 168 P CA -0.246 62.812 63.100 -0.070 0.000 0.785 168 P CB 0.806 32.486 31.700 -0.034 0.000 0.923 169 A N 1.213 124.021 122.820 -0.020 0.000 1.908 169 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 169 A C 2.139 179.682 177.584 -0.069 0.000 1.181 169 A CA 1.858 53.894 52.037 -0.002 0.000 0.627 169 A CB -1.265 17.720 19.000 -0.024 0.000 0.818 169 A HN 0.710 nan 8.150 nan 0.000 0.445 170 E N -0.704 119.443 120.200 -0.089 0.000 2.110 170 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 170 E C 2.062 178.591 176.600 -0.119 0.000 0.988 170 E CA 1.384 57.718 56.400 -0.109 0.000 0.804 170 E CB -0.174 29.464 29.700 -0.103 0.000 0.745 170 E HN 0.688 nan 8.360 nan 0.000 0.458 171 M N -0.113 119.398 119.600 -0.149 0.000 2.123 171 M HA -0.094 4.386 4.480 -0.001 0.000 0.263 171 M C 2.522 178.732 176.300 -0.151 0.000 1.069 171 M CA 1.261 56.420 55.300 -0.235 0.000 1.133 171 M CB -0.245 32.215 32.600 -0.234 0.000 1.356 171 M HN 0.155 nan 8.290 nan 0.000 0.415 172 A N 0.754 123.526 122.820 -0.079 0.000 1.858 172 A HA -0.180 4.140 4.320 -0.001 0.000 0.216 172 A C 2.172 179.817 177.584 0.102 0.000 1.190 172 A CA 1.731 53.746 52.037 -0.038 0.000 0.617 172 A CB -0.759 18.204 19.000 -0.061 0.000 0.827 172 A HN 0.400 nan 8.150 nan 0.000 0.443 173 R N -2.049 118.491 120.500 0.066 0.000 2.103 173 R HA -0.187 4.152 4.340 -0.001 0.000 0.242 173 R C 1.990 178.349 176.300 0.099 0.000 1.142 173 R CA 1.858 57.954 56.100 -0.007 0.000 0.960 173 R CB -0.489 29.633 30.300 -0.296 0.000 0.858 173 R HN 0.639 nan 8.270 nan 0.000 0.439 174 F N -0.062 119.793 119.950 -0.159 0.000 2.084 174 F HA -0.185 4.342 4.527 -0.001 0.000 0.296 174 F C 1.701 177.436 175.800 -0.109 0.000 1.111 174 F CA 1.399 59.264 58.000 -0.224 0.000 1.224 174 F CB -0.402 38.352 39.000 -0.409 0.000 0.991 174 F HN -0.026 nan 8.300 nan 0.000 0.471 175 Y N 0.111 120.485 120.300 0.123 0.000 2.200 175 Y HA -0.193 4.357 4.550 -0.001 0.000 0.290 175 Y C 2.374 178.283 175.900 0.015 0.000 1.137 175 Y CA 0.988 59.113 58.100 0.041 0.000 1.163 175 Y CB -0.428 38.102 38.460 0.116 0.000 0.988 175 Y HN 0.047 nan 8.280 nan 0.000 0.518 176 L N -0.614 120.746 121.223 0.227 0.000 2.131 176 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 176 L C 2.706 179.706 176.870 0.216 0.000 1.092 176 L CA 0.903 55.904 54.840 0.269 0.000 0.759 176 L CB -0.718 41.540 42.059 0.332 0.000 0.903 176 L HN 0.241 nan 8.230 nan 0.000 0.435 177 A N -0.057 122.807 122.820 0.073 0.000 1.873 177 A HA -0.203 4.116 4.320 -0.001 0.000 0.215 177 A C 2.201 179.613 177.584 -0.287 0.000 1.186 177 A CA 1.556 53.369 52.037 -0.374 0.000 0.616 177 A CB -0.393 18.170 19.000 -0.728 0.000 0.823 177 A HN 0.417 nan 8.150 nan 0.000 0.442 178 E N -0.516 119.520 120.200 -0.272 0.000 2.106 178 E HA -0.104 4.245 4.350 -0.001 0.000 0.192 178 E C 1.892 178.383 176.600 -0.183 0.000 0.984 178 E CA 0.968 57.251 56.400 -0.195 0.000 0.806 178 E CB -0.247 29.421 29.700 -0.053 0.000 0.750 178 E HN 0.692 nan 8.360 nan 0.000 0.458 179 I N 0.646 121.184 120.570 -0.053 0.000 2.226 179 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 179 I C 2.367 178.422 176.117 -0.103 0.000 1.100 179 I CA 0.699 61.977 61.300 -0.037 0.000 1.374 179 I CB -0.160 37.894 38.000 0.090 0.000 1.057 179 I HN -0.032 nan 8.210 nan 0.000 0.413 180 V N 0.562 120.428 119.914 -0.081 0.000 2.332 180 V HA -0.311 3.809 4.120 -0.001 0.000 0.248 180 V C 2.518 178.526 176.094 -0.144 0.000 1.055 180 V CA 1.677 63.932 62.300 -0.075 0.000 1.038 180 V CB -0.451 31.189 31.823 -0.305 0.000 0.651 180 V HN 0.383 nan 8.190 nan 0.000 0.450 181 M N -0.631 118.750 119.600 -0.366 0.000 2.229 181 M HA -0.094 4.386 4.480 -0.001 0.000 0.264 181 M C 2.332 178.051 176.300 -0.969 0.000 1.063 181 M CA 2.060 56.924 55.300 -0.726 0.000 1.114 181 M CB -1.280 30.550 32.600 -1.283 0.000 1.387 181 M HN 0.430 nan 8.290 nan 0.000 0.420 182 A N 0.603 122.959 122.820 -0.773 0.000 1.854 182 A HA -0.068 4.252 4.320 -0.001 0.000 0.214 182 A C 2.202 179.622 177.584 -0.273 0.000 1.192 182 A CA 1.061 52.842 52.037 -0.427 0.000 0.611 182 A CB -0.764 18.172 19.000 -0.107 0.000 0.832 182 A HN 0.391 nan 8.150 nan 0.000 0.442 183 I N 0.109 120.488 120.570 -0.318 0.000 2.208 183 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 183 I C 2.263 178.016 176.117 -0.606 0.000 1.097 183 I CA 2.007 63.001 61.300 -0.509 0.000 1.363 183 I CB -0.379 37.159 38.000 -0.770 0.000 1.051 183 I HN 0.426 nan 8.210 nan 0.000 0.413 184 D N 0.321 120.548 120.400 -0.289 0.000 2.144 184 D HA -0.197 4.443 4.640 -0.001 0.000 0.199 184 D C 2.286 178.560 176.300 -0.044 0.000 0.984 184 D CA 1.582 55.548 54.000 -0.057 0.000 0.834 184 D CB 0.023 40.896 40.800 0.121 0.000 0.955 184 D HN 0.371 nan 8.370 nan 0.000 0.465 185 S N -0.764 114.878 115.700 -0.097 0.000 2.368 185 S HA -0.157 4.313 4.470 -0.001 0.000 0.225 185 S C 2.188 176.823 174.600 0.058 0.000 1.030 185 S CA 1.351 59.560 58.200 0.014 0.000 0.999 185 S CB -0.831 62.409 63.200 0.067 0.000 0.844 185 S HN 0.150 nan 8.310 nan 0.000 0.459 186 V N 2.345 122.274 119.914 0.025 0.000 2.343 186 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 186 V C 2.543 178.780 176.094 0.237 0.000 1.051 186 V CA 2.248 64.616 62.300 0.114 0.000 1.036 186 V CB -1.166 30.747 31.823 0.150 0.000 0.654 186 V HN 0.671 nan 8.190 nan 0.000 0.451 187 H N -0.256 118.870 119.070 0.093 0.000 2.353 187 H HA -0.092 4.463 4.556 -0.001 0.000 0.300 187 H C 2.548 177.936 175.328 0.101 0.000 1.090 187 H CA 1.236 57.341 56.048 0.095 0.000 1.327 187 H CB 0.019 29.837 29.762 0.093 0.000 1.383 187 H HN 0.292 nan 8.280 nan 0.000 0.508 188 R N 0.340 120.975 120.500 0.226 0.000 2.237 188 R HA -0.092 4.248 4.340 -0.001 0.000 0.219 188 R C 1.781 178.161 176.300 0.134 0.000 1.080 188 R CA 0.443 56.634 56.100 0.152 0.000 0.995 188 R CB -0.040 30.333 30.300 0.123 0.000 0.875 188 R HN 0.191 nan 8.270 nan 0.000 0.462 189 L N -0.461 120.864 121.223 0.171 0.000 2.492 189 L HA 0.145 4.484 4.340 -0.001 0.000 0.223 189 L C 0.879 177.879 176.870 0.217 0.000 1.132 189 L CA 1.402 56.359 54.840 0.196 0.000 0.850 189 L CB 0.360 42.548 42.059 0.215 0.000 0.966 189 L HN 0.358 nan 8.230 nan 0.000 0.454 190 G N -2.194 106.694 108.800 0.147 0.000 2.145 190 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.176 190 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.176 190 G C -0.316 174.422 174.900 -0.270 0.000 1.013 190 G CA -0.087 44.965 45.100 -0.081 0.000 0.689 190 G HN 0.252 nan 8.290 nan 0.000 0.506 191 Y N -1.444 118.893 120.300 0.062 0.000 2.553 191 Y HA 0.608 5.158 4.550 -0.001 0.000 0.347 191 Y C 0.299 176.273 175.900 0.124 0.000 1.019 191 Y CA -1.178 56.961 58.100 0.065 0.000 1.032 191 Y CB 2.284 40.785 38.460 0.068 0.000 1.284 191 Y HN 0.202 nan 8.280 nan 0.000 0.466 192 V N 2.098 122.163 119.914 0.252 0.000 2.483 192 V HA 0.174 4.294 4.120 -0.001 0.000 0.295 192 V C 0.714 176.964 176.094 0.261 0.000 1.035 192 V CA -0.606 61.825 62.300 0.218 0.000 0.896 192 V CB 1.353 33.246 31.823 0.117 0.000 0.986 192 V HN 0.942 nan 8.190 nan 0.000 0.447 193 H N 4.600 123.765 119.070 0.157 0.000 2.294 193 H HA 0.057 4.613 4.556 -0.001 0.000 0.306 193 H C 1.241 176.595 175.328 0.043 0.000 1.065 193 H CA 1.874 57.970 56.048 0.081 0.000 1.343 193 H CB 0.338 30.089 29.762 -0.018 0.000 1.396 193 H HN 0.716 nan 8.280 nan 0.000 0.506 194 R N -0.169 120.484 120.500 0.256 0.000 3.963 194 R HA -0.174 4.166 4.340 -0.001 0.000 0.394 194 R C -0.679 175.714 176.300 0.154 0.000 1.131 194 R CA 1.019 57.220 56.100 0.168 0.000 1.059 194 R CB -1.747 28.634 30.300 0.135 0.000 1.614 194 R HN 0.349 nan 8.270 nan 0.000 0.546 195 D N 0.072 120.654 120.400 0.302 0.000 3.118 195 D HA 0.173 4.813 4.640 -0.001 0.000 0.352 195 D C -0.432 175.861 176.300 -0.011 0.000 1.498 195 D CA -0.311 53.769 54.000 0.133 0.000 0.759 195 D CB 0.375 41.215 40.800 0.066 0.000 1.251 195 D HN 0.023 nan 8.370 nan 0.000 0.504 196 I N 2.474 122.946 120.570 -0.163 0.000 2.533 196 I HA 0.199 4.369 4.170 -0.001 0.000 0.284 196 I C 0.689 176.484 176.117 -0.537 0.000 1.109 196 I CA 0.512 61.568 61.300 -0.406 0.000 1.412 196 I CB -0.145 37.669 38.000 -0.310 0.000 1.396 196 I HN 0.254 nan 8.210 nan 0.000 0.543 197 K N 6.417 126.420 120.400 -0.662 0.000 2.685 197 K HA 0.397 4.717 4.320 -0.001 0.000 0.290 197 K C -2.969 173.170 176.600 -0.767 0.000 1.018 197 K CA -1.103 54.612 56.287 -0.954 0.000 0.860 197 K CB 1.215 33.067 32.500 -1.080 0.000 1.498 197 K HN -0.051 nan 8.250 nan 0.000 0.390 198 P HA -0.116 nan 4.420 nan 0.000 0.222 198 P C -0.060 177.012 177.300 -0.379 0.000 1.147 198 P CA 1.228 63.885 63.100 -0.738 0.000 0.790 198 P CB -0.065 31.318 31.700 -0.528 0.000 0.780 199 D N -1.268 118.961 120.400 -0.285 0.000 2.312 199 D HA -0.084 4.556 4.640 -0.001 0.000 0.211 199 D C 1.022 177.221 176.300 -0.168 0.000 0.964 199 D CA 0.747 54.645 54.000 -0.170 0.000 0.877 199 D CB -1.012 39.720 40.800 -0.113 0.000 0.924 199 D HN 0.144 nan 8.370 nan 0.000 0.515 200 N N -0.190 118.367 118.700 -0.239 0.000 2.230 200 N HA 0.146 4.885 4.740 -0.001 0.000 0.202 200 N C -0.563 174.812 175.510 -0.226 0.000 1.119 200 N CA -0.112 52.812 53.050 -0.210 0.000 0.851 200 N CB 0.690 39.041 38.487 -0.226 0.000 0.990 200 N HN 0.158 nan 8.380 nan 0.000 0.497 201 I N 1.423 121.848 120.570 -0.242 0.000 2.355 201 I HA 0.265 4.434 4.170 -0.001 0.000 0.288 201 I C -0.209 175.823 176.117 -0.141 0.000 0.999 201 I CA -0.282 60.901 61.300 -0.195 0.000 1.163 201 I CB 1.298 39.163 38.000 -0.224 0.000 1.316 201 I HN -0.223 nan 8.210 nan 0.000 0.454 202 L N 6.179 127.339 121.223 -0.105 0.000 2.352 202 L HA 0.608 4.947 4.340 -0.001 0.000 0.269 202 L C -0.544 176.286 176.870 -0.065 0.000 1.034 202 L CA -0.958 53.840 54.840 -0.071 0.000 0.806 202 L CB 1.219 43.247 42.059 -0.052 0.000 1.244 202 L HN 0.332 nan 8.230 nan 0.000 0.447 203 L N 1.234 122.452 121.223 -0.008 0.000 2.307 203 L HA 0.333 4.673 4.340 -0.001 0.000 0.284 203 L C -0.300 176.615 176.870 0.074 0.000 1.023 203 L CA -0.880 53.993 54.840 0.054 0.000 0.810 203 L CB 1.633 43.755 42.059 0.106 0.000 1.231 203 L HN 0.636 nan 8.230 nan 0.000 0.423 204 D N 1.950 122.408 120.400 0.096 0.000 2.447 204 D HA 0.046 4.686 4.640 -0.001 0.000 0.265 204 D C 1.067 177.450 176.300 0.139 0.000 1.250 204 D CA -0.468 53.639 54.000 0.178 0.000 1.046 204 D CB 0.655 41.581 40.800 0.211 0.000 1.095 204 D HN 0.410 nan 8.370 nan 0.000 0.555 205 R N -0.481 120.093 120.500 0.123 0.000 2.139 205 R HA -0.147 4.192 4.340 -0.001 0.000 0.243 205 R C 1.493 177.823 176.300 0.050 0.000 1.145 205 R CA 1.690 57.828 56.100 0.064 0.000 0.976 205 R CB -0.511 29.819 30.300 0.050 0.000 0.866 205 R HN 0.578 nan 8.270 nan 0.000 0.449 206 C N -1.324 118.025 119.300 0.080 0.000 2.533 206 C HA 0.308 4.768 4.460 -0.001 0.000 0.272 206 C C 1.457 176.440 174.990 -0.013 0.000 1.371 206 C CA 0.526 59.570 59.018 0.044 0.000 1.758 206 C CB 0.088 27.899 27.740 0.119 0.000 1.972 206 C HN 0.826 nan 8.230 nan 0.000 0.522 207 G N -0.361 108.474 108.800 0.058 0.000 2.154 207 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.186 207 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.186 207 G C -0.139 174.857 174.900 0.161 0.000 1.000 207 G CA -0.398 44.768 45.100 0.110 0.000 0.664 207 G HN 0.572 nan 8.290 nan 0.000 0.513 208 H N -0.043 119.193 119.070 0.276 0.000 2.505 208 H HA 0.578 5.133 4.556 -0.001 0.000 0.351 208 H C 1.014 176.473 175.328 0.218 0.000 1.151 208 H CA 0.512 56.753 56.048 0.321 0.000 1.339 208 H CB 1.584 31.459 29.762 0.188 0.000 1.483 208 H HN 0.529 nan 8.280 nan 0.000 0.558 209 I N -0.072 120.715 120.570 0.363 0.000 2.677 209 I HA 0.413 4.583 4.170 -0.001 0.000 0.305 209 I C -0.205 175.962 176.117 0.085 0.000 0.988 209 I CA -0.527 60.884 61.300 0.186 0.000 1.260 209 I CB 0.843 38.955 38.000 0.187 0.000 1.410 209 I HN 0.188 nan 8.210 nan 0.000 0.523 210 R N 4.079 124.549 120.500 -0.050 0.000 2.532 210 R HA 0.506 4.845 4.340 -0.001 0.000 0.297 210 R C -1.340 174.939 176.300 -0.036 0.000 0.984 210 R CA -1.001 55.047 56.100 -0.087 0.000 0.884 210 R CB 1.642 31.695 30.300 -0.412 0.000 1.182 210 R HN 0.803 nan 8.270 nan 0.000 0.442 211 L N 1.996 123.253 121.223 0.056 0.000 2.397 211 L HA 0.618 4.958 4.340 -0.001 0.000 0.271 211 L C -0.394 176.500 176.870 0.041 0.000 1.148 211 L CA 0.306 55.143 54.840 -0.005 0.000 0.825 211 L CB 1.017 43.088 42.059 0.020 0.000 1.117 211 L HN 0.816 nan 8.230 nan 0.000 0.456 212 A N 3.017 125.737 122.820 -0.167 0.000 2.530 212 A HA 0.628 4.948 4.320 -0.001 0.000 0.288 212 A C -0.622 176.679 177.584 -0.472 0.000 1.172 212 A CA -0.185 51.757 52.037 -0.158 0.000 0.733 212 A CB 0.792 19.779 19.000 -0.023 0.000 1.320 212 A HN 0.790 nan 8.150 nan 0.000 0.419 213 D N -1.344 118.870 120.400 -0.311 0.000 3.729 213 D HA -0.138 4.501 4.640 -0.001 0.000 0.242 213 D C -0.760 175.188 176.300 -0.585 0.000 1.091 213 D CA 0.728 54.567 54.000 -0.269 0.000 1.096 213 D CB -1.172 39.537 40.800 -0.151 0.000 0.901 213 D HN 0.446 nan 8.370 nan 0.000 0.416 214 F N -0.227 119.641 119.950 -0.137 0.000 2.639 214 F HA 0.337 4.863 4.527 -0.001 0.000 0.300 214 F C 2.295 177.984 175.800 -0.186 0.000 1.109 214 F CA 0.126 57.962 58.000 -0.272 0.000 1.335 214 F CB 0.845 39.725 39.000 -0.199 0.000 1.014 214 F HN 0.338 nan 8.300 nan 0.000 0.537 215 G N -0.494 108.299 108.800 -0.013 0.000 3.061 215 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.208 215 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.208 215 G C 0.767 175.678 174.900 0.018 0.000 1.175 215 G CA 0.452 45.578 45.100 0.044 0.000 0.812 215 G HN 0.325 nan 8.290 nan 0.000 0.523 216 S N -1.062 114.605 115.700 -0.056 0.000 2.937 216 S HA 0.196 4.666 4.470 -0.001 0.000 0.252 216 S C 0.496 175.087 174.600 -0.016 0.000 1.022 216 S CA -0.730 57.460 58.200 -0.018 0.000 1.079 216 S CB -0.169 63.027 63.200 -0.005 0.000 1.035 216 S HN 0.194 nan 8.310 nan 0.000 0.594 217 C N 2.301 121.585 119.300 -0.027 0.000 2.676 217 C HA 0.456 4.916 4.460 -0.001 0.000 0.416 217 C C 0.417 175.478 174.990 0.117 0.000 1.299 217 C CA -0.133 58.916 59.018 0.053 0.000 2.048 217 C CB -0.631 27.133 27.740 0.039 0.000 2.713 217 C HN 0.584 nan 8.230 nan 0.000 0.624 218 L N 2.399 123.727 121.223 0.176 0.000 2.388 218 L HA 0.445 4.784 4.340 -0.001 0.000 0.264 218 L C -0.065 176.875 176.870 0.117 0.000 0.998 218 L CA -0.577 54.334 54.840 0.120 0.000 0.817 218 L CB 1.529 43.596 42.059 0.014 0.000 1.338 218 L HN 0.623 nan 8.230 nan 0.000 0.414 219 K N 2.833 123.198 120.400 -0.057 0.000 2.349 219 K HA 0.348 4.668 4.320 -0.001 0.000 0.288 219 K C -0.614 175.819 176.600 -0.279 0.000 1.058 219 K CA -0.454 55.577 56.287 -0.426 0.000 0.953 219 K CB 0.566 32.805 32.500 -0.436 0.000 0.997 219 K HN 0.448 nan 8.250 nan 0.000 0.477 220 L N 4.812 125.859 121.223 -0.293 0.000 2.485 220 L HA 0.060 4.399 4.340 -0.001 0.000 0.275 220 L C 1.089 177.852 176.870 -0.179 0.000 1.207 220 L CA 0.220 54.941 54.840 -0.198 0.000 0.855 220 L CB 0.267 42.229 42.059 -0.161 0.000 1.114 220 L HN 0.578 nan 8.230 nan 0.000 0.485 221 R N 1.767 122.182 120.500 -0.142 0.000 2.580 221 R HA 0.284 4.624 4.340 -0.001 0.000 0.267 221 R C 1.258 177.504 176.300 -0.091 0.000 1.125 221 R CA -0.049 55.984 56.100 -0.113 0.000 1.188 221 R CB 0.287 30.526 30.300 -0.102 0.000 1.155 221 R HN 0.799 nan 8.270 nan 0.000 0.586 222 A N 1.423 124.200 122.820 -0.072 0.000 1.927 222 A HA -0.243 4.076 4.320 -0.001 0.000 0.220 222 A C 1.394 178.950 177.584 -0.047 0.000 1.185 222 A CA 2.292 54.297 52.037 -0.053 0.000 0.639 222 A CB -0.715 18.259 19.000 -0.042 0.000 0.820 222 A HN 0.870 nan 8.150 nan 0.000 0.451 223 D N -1.706 118.664 120.400 -0.051 0.000 2.324 223 D HA 0.268 4.908 4.640 -0.001 0.000 0.235 223 D C 1.086 177.359 176.300 -0.046 0.000 1.095 223 D CA 0.849 54.824 54.000 -0.043 0.000 0.871 223 D CB -0.913 39.862 40.800 -0.042 0.000 0.906 223 D HN 0.931 nan 8.370 nan 0.000 0.522 224 G N -0.098 108.668 108.800 -0.058 0.000 2.143 224 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.248 224 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.248 224 G C 0.380 175.234 174.900 -0.076 0.000 0.991 224 G CA 0.825 45.890 45.100 -0.059 0.000 0.689 224 G HN 0.910 nan 8.290 nan 0.000 0.522 225 T N -3.089 111.406 114.554 -0.099 0.000 2.888 225 T HA 0.875 5.224 4.350 -0.001 0.000 0.288 225 T C -0.145 174.438 174.700 -0.195 0.000 1.063 225 T CA -0.121 61.897 62.100 -0.136 0.000 1.010 225 T CB 2.759 71.558 68.868 -0.115 0.000 1.214 225 T HN 1.615 nan 8.240 nan 0.000 0.533 226 V N -2.959 116.765 119.914 -0.316 0.000 2.914 226 V HA 1.029 5.149 4.120 -0.001 0.000 0.314 226 V C -0.101 175.730 176.094 -0.438 0.000 1.084 226 V CA -1.287 60.793 62.300 -0.368 0.000 0.963 226 V CB 1.045 32.615 31.823 -0.422 0.000 1.025 226 V HN 1.423 nan 8.190 nan 0.000 0.432 227 R N 0.515 120.842 120.500 -0.290 0.000 2.358 227 R HA 0.910 5.250 4.340 -0.001 0.000 0.309 227 R C -0.160 176.052 176.300 -0.148 0.000 1.026 227 R CA 0.243 56.219 56.100 -0.206 0.000 0.909 227 R CB 0.603 30.829 30.300 -0.123 0.000 1.153 227 R HN 2.114 nan 8.270 nan 0.000 0.515 228 S N 0.861 116.497 115.700 -0.107 0.000 2.541 228 S HA 0.671 5.141 4.470 -0.001 0.000 0.280 228 S C 0.099 174.737 174.600 0.063 0.000 1.112 228 S CA -0.467 57.732 58.200 -0.002 0.000 0.925 228 S CB 1.312 64.540 63.200 0.045 0.000 1.067 228 S HN 0.385 nan 8.310 nan 0.000 0.479 229 L N 2.440 123.682 121.223 0.031 0.000 2.769 229 L HA 0.362 4.701 4.340 -0.001 0.000 0.240 229 L C -0.494 176.385 176.870 0.014 0.000 1.163 229 L CA 0.359 55.212 54.840 0.021 0.000 0.962 229 L CB 0.922 42.982 42.059 0.002 0.000 1.258 229 L HN 0.538 nan 8.230 nan 0.000 0.513 230 V N 0.166 120.097 119.914 0.028 0.000 2.483 230 V HA 0.674 4.794 4.120 -0.001 0.000 0.297 230 V C 0.144 176.254 176.094 0.026 0.000 1.027 230 V CA -1.086 61.225 62.300 0.019 0.000 0.855 230 V CB 1.645 33.481 31.823 0.022 0.000 0.995 230 V HN 0.121 nan 8.190 nan 0.000 0.424 231 A N 5.152 127.966 122.820 -0.010 0.000 2.409 231 A HA 0.702 5.021 4.320 -0.001 0.000 0.267 231 A C -0.053 177.538 177.584 0.012 0.000 1.127 231 A CA -0.175 51.842 52.037 -0.033 0.000 0.795 231 A CB 0.628 19.555 19.000 -0.123 0.000 1.061 231 A HN 1.363 nan 8.150 nan 0.000 0.502 232 V N 0.488 120.420 119.914 0.031 0.000 2.919 232 V HA 1.001 5.120 4.120 -0.001 0.000 0.316 232 V C 0.347 176.468 176.094 0.045 0.000 1.077 232 V CA -0.108 62.221 62.300 0.049 0.000 0.977 232 V CB 0.841 32.702 31.823 0.062 0.000 1.039 232 V HN 2.697 nan 8.190 nan 0.000 0.441 233 G N 1.325 110.158 108.800 0.054 0.000 2.785 233 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.686 233 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.686 233 G C -0.352 174.608 174.900 0.101 0.000 1.155 233 G CA -0.419 44.719 45.100 0.063 0.000 0.760 233 G HN 1.501 nan 8.290 nan 0.000 0.624 234 T N 4.956 119.585 114.554 0.125 0.000 2.866 234 T HA 0.281 4.631 4.350 -0.001 0.000 0.293 234 T C -0.484 174.384 174.700 0.281 0.000 1.005 234 T CA 0.457 62.677 62.100 0.200 0.000 1.162 234 T CB 0.915 69.927 68.868 0.240 0.000 0.968 234 T HN 0.439 nan 8.240 nan 0.000 0.530 235 P HA -0.172 nan 4.420 nan 0.000 0.217 235 P C 1.160 178.625 177.300 0.275 0.000 1.162 235 P CA 1.155 64.461 63.100 0.343 0.000 0.901 235 P CB 0.099 31.929 31.700 0.215 0.000 0.793 236 D N -2.680 117.823 120.400 0.170 0.000 2.309 236 D HA -0.139 4.500 4.640 -0.001 0.000 0.212 236 D C 1.340 177.574 176.300 -0.110 0.000 0.968 236 D CA 1.100 55.103 54.000 0.006 0.000 0.882 236 D CB -0.548 40.135 40.800 -0.195 0.000 0.918 236 D HN 0.380 nan 8.370 nan 0.000 0.503 237 Y N -0.181 120.258 120.300 0.232 0.000 2.449 237 Y HA 0.254 4.803 4.550 -0.000 0.000 0.254 237 Y C 0.860 176.921 175.900 0.268 0.000 1.140 237 Y CA -0.369 57.890 58.100 0.265 0.000 1.272 237 Y CB 0.147 38.709 38.460 0.170 0.000 1.114 237 Y HN -0.187 nan 8.280 nan 0.000 0.525 238 L N 1.760 123.128 121.223 0.241 0.000 2.499 238 L HA 0.043 4.383 4.340 -0.001 0.000 0.273 238 L C 0.886 177.631 176.870 -0.209 0.000 1.195 238 L CA -0.194 54.649 54.840 0.004 0.000 0.882 238 L CB 0.324 42.316 42.059 -0.113 0.000 1.133 238 L HN 0.180 nan 8.230 nan 0.000 0.483 239 S N 3.027 118.430 115.700 -0.496 0.000 2.614 239 S HA 0.297 4.766 4.470 -0.001 0.000 0.265 239 S C -1.864 172.186 174.600 -0.918 0.000 1.303 239 S CA -1.253 56.222 58.200 -1.209 0.000 1.000 239 S CB 1.197 63.842 63.200 -0.926 0.000 0.935 239 S HN 0.406 nan 8.310 nan 0.000 0.551 240 P HA -0.033 nan 4.420 nan 0.000 0.220 240 P C 0.830 177.880 177.300 -0.417 0.000 1.148 240 P CA 1.088 63.837 63.100 -0.585 0.000 0.803 240 P CB 0.003 31.436 31.700 -0.444 0.000 0.782 241 E N -0.668 119.276 120.200 -0.427 0.000 2.072 241 E HA -0.090 4.260 4.350 -0.001 0.000 0.190 241 E C 1.982 178.373 176.600 -0.348 0.000 0.982 241 E CA 0.777 57.010 56.400 -0.280 0.000 0.803 241 E CB -0.910 28.682 29.700 -0.179 0.000 0.755 241 E HN 0.223 nan 8.360 nan 0.000 0.453 242 I N 0.596 120.815 120.570 -0.584 0.000 2.127 242 I HA -0.305 3.865 4.170 -0.001 0.000 0.241 242 I C 2.133 178.018 176.117 -0.385 0.000 1.075 242 I CA 1.153 62.043 61.300 -0.685 0.000 1.334 242 I CB -0.282 37.286 38.000 -0.721 0.000 1.040 242 I HN 0.105 nan 8.210 nan 0.000 0.405 243 L N -0.059 120.932 121.223 -0.386 0.000 2.042 243 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 243 L C 2.717 179.453 176.870 -0.223 0.000 1.076 243 L CA 1.298 55.936 54.840 -0.336 0.000 0.749 243 L CB -0.737 41.099 42.059 -0.372 0.000 0.893 243 L HN 0.369 nan 8.230 nan 0.000 0.432 244 Q N -0.151 119.532 119.800 -0.195 0.000 2.167 244 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 244 Q C 2.420 178.371 176.000 -0.082 0.000 0.970 244 Q CA 1.502 57.230 55.803 -0.125 0.000 0.855 244 Q CB -0.234 28.436 28.738 -0.113 0.000 0.911 244 Q HN 0.559 nan 8.270 nan 0.000 0.438 245 A N 0.609 123.387 122.820 -0.070 0.000 1.972 245 A HA -0.091 4.229 4.320 -0.001 0.000 0.219 245 A C 2.350 179.922 177.584 -0.020 0.000 1.169 245 A CA 1.100 53.137 52.037 -0.001 0.000 0.635 245 A CB -0.399 18.673 19.000 0.120 0.000 0.810 245 A HN 0.193 nan 8.150 nan 0.000 0.446 246 V N -0.456 119.421 119.914 -0.063 0.000 2.591 246 V HA -0.088 4.031 4.120 -0.001 0.000 0.249 246 V C 2.709 178.774 176.094 -0.048 0.000 1.053 246 V CA 1.651 63.916 62.300 -0.058 0.000 1.068 246 V CB -0.995 30.769 31.823 -0.099 0.000 0.689 246 V HN 0.598 nan 8.190 nan 0.000 0.462 247 G N -0.365 108.400 108.800 -0.057 0.000 2.421 247 G HA2 0.170 4.130 3.960 -0.001 0.000 0.217 247 G HA3 0.170 4.130 3.960 -0.001 0.000 0.217 247 G C 1.315 176.198 174.900 -0.029 0.000 1.143 247 G CA 0.923 45.998 45.100 -0.042 0.000 0.784 247 G HN 1.045 nan 8.290 nan 0.000 0.541 248 G N -1.042 107.742 108.800 -0.028 0.000 2.132 248 G HA2 0.072 4.032 3.960 -0.001 0.000 0.228 248 G HA3 0.072 4.032 3.960 -0.001 0.000 0.228 248 G C 0.749 175.637 174.900 -0.020 0.000 1.000 248 G CA 0.342 45.429 45.100 -0.020 0.000 0.693 248 G HN 1.066 nan 8.290 nan 0.000 0.515 249 G N 0.060 108.845 108.800 -0.025 0.000 2.683 249 G HA2 0.559 4.519 3.960 -0.001 0.000 0.260 249 G HA3 0.559 4.519 3.960 -0.001 0.000 0.260 249 G C -1.549 173.338 174.900 -0.020 0.000 1.238 249 G CA -0.245 44.842 45.100 -0.023 0.000 0.934 249 G HN 0.322 nan 8.290 nan 0.000 0.534 250 P HA 0.275 nan 4.420 nan 0.000 0.282 250 P C 0.514 177.803 177.300 -0.017 0.000 1.274 250 P CA 0.790 63.880 63.100 -0.016 0.000 0.770 250 P CB 1.006 32.697 31.700 -0.015 0.000 0.867 251 G N 1.920 110.711 108.800 -0.015 0.000 2.163 251 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.213 251 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.213 251 G C 0.242 175.135 174.900 -0.011 0.000 0.991 251 G CA 0.259 45.351 45.100 -0.013 0.000 0.653 251 G HN 0.866 nan 8.290 nan 0.000 0.518 252 T N -4.014 110.533 114.554 -0.012 0.000 2.804 252 T HA 0.839 5.188 4.350 -0.001 0.000 0.272 252 T C 1.402 176.103 174.700 0.001 0.000 0.986 252 T CA 0.755 62.852 62.100 -0.006 0.000 0.999 252 T CB 1.873 70.731 68.868 -0.018 0.000 1.307 252 T HN 1.969 nan 8.240 nan 0.000 0.586 253 G N 0.352 109.164 108.800 0.019 0.000 2.339 253 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.209 253 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.209 253 G C 0.258 175.165 174.900 0.011 0.000 1.015 253 G CA 0.528 45.636 45.100 0.014 0.000 0.635 253 G HN 1.814 nan 8.290 nan 0.000 0.499 254 S N -0.057 115.649 115.700 0.010 0.000 2.568 254 S HA 0.930 5.399 4.470 -0.001 0.000 0.302 254 S C -0.507 174.125 174.600 0.053 0.000 1.082 254 S CA 0.139 58.304 58.200 -0.058 0.000 1.009 254 S CB 2.516 65.672 63.200 -0.074 0.000 1.069 254 S HN 1.845 nan 8.310 nan 0.000 0.500 255 Y N -1.136 119.134 120.300 -0.051 0.000 2.806 255 Y HA 0.923 5.473 4.550 -0.001 0.000 0.329 255 Y C 0.032 175.904 175.900 -0.048 0.000 1.327 255 Y CA -0.817 57.253 58.100 -0.051 0.000 1.071 255 Y CB 0.514 38.934 38.460 -0.065 0.000 1.346 255 Y HN 0.990 nan 8.280 nan 0.000 0.452 256 G N -0.976 107.922 108.800 0.163 0.000 3.003 256 G HA2 0.477 4.436 3.960 -0.001 0.000 0.243 256 G HA3 0.477 4.436 3.960 -0.001 0.000 0.243 256 G C -2.706 172.225 174.900 0.051 0.000 1.176 256 G CA -1.275 43.841 45.100 0.027 0.000 0.812 256 G HN 0.351 nan 8.290 nan 0.000 0.584 257 P HA 0.059 nan 4.420 nan 0.000 0.230 257 P C 1.014 178.295 177.300 -0.032 0.000 1.158 257 P CA 1.001 63.915 63.100 -0.310 0.000 0.769 257 P CB 0.134 31.410 31.700 -0.708 0.000 0.807 258 E N -0.255 120.047 120.200 0.171 0.000 2.171 258 E HA -0.238 4.111 4.350 -0.001 0.000 0.197 258 E C 2.025 178.793 176.600 0.280 0.000 0.997 258 E CA 1.542 58.133 56.400 0.318 0.000 0.810 258 E CB -2.025 27.815 29.700 0.234 0.000 0.738 258 E HN 0.464 nan 8.360 nan 0.000 0.467 259 C N 0.713 120.109 119.300 0.159 0.000 2.440 259 C HA -0.048 4.412 4.460 -0.001 0.000 0.278 259 C C 1.947 177.049 174.990 0.186 0.000 1.295 259 C CA 0.503 59.594 59.018 0.122 0.000 1.738 259 C CB -0.595 27.144 27.740 -0.002 0.000 1.987 259 C HN 0.176 nan 8.230 nan 0.000 0.492 260 D N 0.312 120.764 120.400 0.088 0.000 2.144 260 D HA -0.096 4.544 4.640 -0.001 0.000 0.200 260 D C 1.943 178.292 176.300 0.083 0.000 0.978 260 D CA 1.389 55.386 54.000 -0.005 0.000 0.833 260 D CB -0.540 40.157 40.800 -0.170 0.000 0.961 260 D HN 0.796 nan 8.370 nan 0.000 0.470 261 W N 0.599 122.078 121.300 0.298 0.000 2.388 261 W HA -0.103 4.557 4.660 -0.000 0.000 0.294 261 W C 2.423 179.091 176.519 0.248 0.000 1.212 261 W CA -0.271 57.244 57.345 0.283 0.000 1.271 261 W CB -0.377 29.275 29.460 0.320 0.000 1.126 261 W HN 0.061 nan 8.180 nan 0.000 0.535 262 W N 1.479 122.958 121.300 0.298 0.000 2.335 262 W HA -0.273 4.387 4.660 -0.001 0.000 0.311 262 W C 2.107 178.749 176.519 0.205 0.000 1.213 262 W CA 2.559 60.009 57.345 0.176 0.000 1.274 262 W CB -0.855 28.653 29.460 0.080 0.000 1.148 262 W HN -0.086 nan 8.180 nan 0.000 0.498 263 A N 0.828 123.924 122.820 0.460 0.000 1.940 263 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 263 A C 1.968 179.761 177.584 0.349 0.000 1.176 263 A CA 1.813 54.106 52.037 0.427 0.000 0.631 263 A CB -1.164 18.020 19.000 0.307 0.000 0.814 263 A HN 0.344 nan 8.150 nan 0.000 0.446 264 L N 0.103 121.503 121.223 0.295 0.000 2.083 264 L HA -0.022 4.318 4.340 -0.001 0.000 0.209 264 L C 2.379 179.395 176.870 0.243 0.000 1.083 264 L CA 2.190 57.225 54.840 0.325 0.000 0.752 264 L CB -1.023 41.267 42.059 0.384 0.000 0.899 264 L HN 0.300 nan 8.230 nan 0.000 0.433 265 G N -1.185 107.663 108.800 0.080 0.000 2.418 265 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.217 265 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.217 265 G C 1.507 176.394 174.900 -0.022 0.000 1.158 265 G CA 1.081 46.127 45.100 -0.091 0.000 0.771 265 G HN 0.335 nan 8.290 nan 0.000 0.545 266 V N 0.428 120.333 119.914 -0.014 0.000 2.358 266 V HA -0.099 4.021 4.120 -0.001 0.000 0.246 266 V C 2.334 178.589 176.094 0.267 0.000 1.047 266 V CA 1.566 63.886 62.300 0.034 0.000 1.035 266 V CB -0.637 31.187 31.823 0.002 0.000 0.658 266 V HN 0.342 nan 8.190 nan 0.000 0.452 267 F N 1.858 121.952 119.950 0.240 0.000 2.102 267 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 267 F C 2.296 178.159 175.800 0.105 0.000 1.105 267 F CA 1.196 59.330 58.000 0.224 0.000 1.239 267 F CB -0.935 38.168 39.000 0.172 0.000 0.991 267 F HN 0.089 nan 8.300 nan 0.000 0.474 268 A N -0.499 122.305 122.820 -0.026 0.000 1.883 268 A HA -0.279 4.040 4.320 -0.001 0.000 0.217 268 A C 2.262 179.843 177.584 -0.006 0.000 1.186 268 A CA 1.720 53.667 52.037 -0.150 0.000 0.624 268 A CB -1.837 17.271 19.000 0.180 0.000 0.822 268 A HN 0.584 nan 8.150 nan 0.000 0.444 269 Y N 0.622 120.951 120.300 0.048 0.000 2.114 269 Y HA -0.276 4.274 4.550 -0.001 0.000 0.282 269 Y C 2.405 178.370 175.900 0.109 0.000 1.165 269 Y CA 2.398 60.590 58.100 0.152 0.000 1.148 269 Y CB -0.172 38.326 38.460 0.063 0.000 0.972 269 Y HN 0.482 nan 8.280 nan 0.000 0.504 270 E N -0.251 120.119 120.200 0.282 0.000 2.051 270 E HA -0.296 4.053 4.350 -0.001 0.000 0.192 270 E C 2.284 178.871 176.600 -0.021 0.000 0.991 270 E CA 1.528 58.045 56.400 0.196 0.000 0.799 270 E CB -0.264 29.592 29.700 0.260 0.000 0.748 270 E HN 0.552 nan 8.360 nan 0.000 0.449 271 M N -0.331 119.115 119.600 -0.258 0.000 2.108 271 M HA -0.188 4.292 4.480 -0.001 0.000 0.261 271 M C 1.519 177.510 176.300 -0.514 0.000 1.066 271 M CA 1.703 56.698 55.300 -0.508 0.000 1.107 271 M CB 0.018 32.048 32.600 -0.950 0.000 1.356 271 M HN 0.093 nan 8.290 nan 0.000 0.406 272 F N -2.229 117.497 119.950 -0.372 0.000 2.317 272 F HA -0.075 4.452 4.527 -0.000 0.000 0.293 272 F C 1.330 176.756 175.800 -0.622 0.000 1.085 272 F CA 0.665 58.324 58.000 -0.568 0.000 1.390 272 F CB 0.015 38.489 39.000 -0.877 0.000 1.077 272 F HN 0.070 nan 8.300 nan 0.000 0.517 273 Y N -0.860 119.376 120.300 -0.108 0.000 2.449 273 Y HA 0.317 4.867 4.550 -0.001 0.000 0.254 273 Y C 1.916 177.776 175.900 -0.066 0.000 1.140 273 Y CA 0.227 58.225 58.100 -0.170 0.000 1.272 273 Y CB 0.558 38.742 38.460 -0.460 0.000 1.114 273 Y HN 0.118 nan 8.280 nan 0.000 0.525 274 G N 0.299 109.141 108.800 0.070 0.000 2.212 274 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.266 274 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.266 274 G C -0.177 174.778 174.900 0.092 0.000 0.978 274 G CA 0.547 45.685 45.100 0.064 0.000 0.632 274 G HN 0.288 nan 8.290 nan 0.000 0.537 275 Q N -0.720 119.176 119.800 0.160 0.000 2.397 275 Q HA 0.730 5.070 4.340 -0.001 0.000 0.275 275 Q C -0.047 176.104 176.000 0.252 0.000 1.090 275 Q CA -0.168 55.721 55.803 0.143 0.000 0.809 275 Q CB 1.636 30.422 28.738 0.080 0.000 1.362 275 Q HN 0.701 nan 8.270 nan 0.000 0.431 276 T N 2.655 117.296 114.554 0.144 0.000 2.930 276 T HA 0.175 4.525 4.350 -0.001 0.000 0.306 276 T C -1.473 173.144 174.700 -0.138 0.000 1.045 276 T CA -1.347 60.785 62.100 0.053 0.000 1.134 276 T CB 0.378 69.269 68.868 0.037 0.000 0.961 276 T HN 0.480 nan 8.240 nan 0.000 0.545 277 P HA 0.082 nan 4.420 nan 0.000 0.225 277 P C 0.287 177.046 177.300 -0.901 0.000 1.156 277 P CA 0.956 63.270 63.100 -1.311 0.000 0.787 277 P CB 0.065 30.481 31.700 -2.140 0.000 0.802 278 F N -2.157 117.722 119.950 -0.119 0.000 2.855 278 F HA 0.255 4.782 4.527 -0.001 0.000 0.317 278 F C 0.784 176.591 175.800 0.011 0.000 1.169 278 F CA -1.292 56.696 58.000 -0.020 0.000 1.299 278 F CB -0.461 38.547 39.000 0.013 0.000 0.962 278 F HN -0.222 nan 8.300 nan 0.000 0.506 279 Y N 2.496 122.816 120.300 0.032 0.000 2.805 279 Y HA 0.322 4.871 4.550 -0.001 0.000 0.337 279 Y C 0.152 176.074 175.900 0.037 0.000 1.252 279 Y CA -0.191 57.926 58.100 0.028 0.000 1.515 279 Y CB 0.315 38.784 38.460 0.015 0.000 1.305 279 Y HN 0.241 nan 8.280 nan 0.000 0.600 280 A N 3.235 125.599 122.820 -0.760 0.000 2.581 280 A HA 0.493 4.813 4.320 -0.001 0.000 0.290 280 A C 0.396 177.570 177.584 -0.683 0.000 1.119 280 A CA -0.094 51.629 52.037 -0.523 0.000 0.670 280 A CB -0.210 18.645 19.000 -0.242 0.000 1.280 280 A HN 0.814 nan 8.150 nan 0.000 0.425 281 D N 0.015 120.212 120.400 -0.337 0.000 2.084 281 D HA 0.197 4.836 4.640 -0.001 0.000 0.194 281 D C 1.170 177.338 176.300 -0.220 0.000 0.990 281 D CA 2.106 55.969 54.000 -0.228 0.000 0.826 281 D CB -0.429 40.311 40.800 -0.101 0.000 0.971 281 D HN 1.457 nan 8.370 nan 0.000 0.453 282 S N -2.035 113.545 115.700 -0.201 0.000 2.654 282 S HA 0.416 4.886 4.470 -0.001 0.000 0.283 282 S C 1.168 175.612 174.600 -0.259 0.000 1.180 282 S CA 0.246 58.331 58.200 -0.191 0.000 1.021 282 S CB 1.607 64.716 63.200 -0.152 0.000 1.018 282 S HN 0.254 nan 8.310 nan 0.000 0.532 283 T N 1.714 116.094 114.554 -0.289 0.000 2.788 283 T HA -0.073 4.277 4.350 -0.001 0.000 0.268 283 T C 2.099 176.403 174.700 -0.660 0.000 1.044 283 T CA 1.589 63.406 62.100 -0.472 0.000 1.139 283 T CB -0.748 67.839 68.868 -0.468 0.000 0.867 283 T HN 0.812 nan 8.240 nan 0.000 0.454 284 A N 1.426 123.998 122.820 -0.413 0.000 1.873 284 A HA 0.027 4.346 4.320 -0.001 0.000 0.215 284 A C 2.511 179.986 177.584 -0.181 0.000 1.186 284 A CA 2.055 53.929 52.037 -0.272 0.000 0.616 284 A CB -1.189 17.736 19.000 -0.125 0.000 0.823 284 A HN 0.582 nan 8.150 nan 0.000 0.442 285 E N -0.748 119.347 120.200 -0.175 0.000 2.153 285 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 285 E C 1.981 178.492 176.600 -0.149 0.000 0.988 285 E CA 1.978 58.292 56.400 -0.144 0.000 0.811 285 E CB -1.590 28.029 29.700 -0.134 0.000 0.746 285 E HN 0.618 nan 8.360 nan 0.000 0.466 286 T N -0.156 114.288 114.554 -0.183 0.000 2.737 286 T HA -0.084 4.266 4.350 -0.001 0.000 0.265 286 T C 1.815 176.509 174.700 -0.009 0.000 1.038 286 T CA 1.250 63.285 62.100 -0.108 0.000 1.144 286 T CB -0.447 68.341 68.868 -0.134 0.000 0.866 286 T HN 0.557 nan 8.240 nan 0.000 0.434 287 Y N 1.653 121.894 120.300 -0.099 0.000 2.151 287 Y HA -0.087 4.463 4.550 -0.001 0.000 0.284 287 Y C 2.796 178.625 175.900 -0.118 0.000 1.166 287 Y CA 0.502 58.534 58.100 -0.114 0.000 1.163 287 Y CB -1.473 36.935 38.460 -0.086 0.000 0.974 287 Y HN 0.275 nan 8.280 nan 0.000 0.511 288 G N -0.264 108.569 108.800 0.055 0.000 2.446 288 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.217 288 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.217 288 G C 1.800 176.663 174.900 -0.061 0.000 1.168 288 G CA 0.992 46.090 45.100 -0.003 0.000 0.771 288 G HN 0.338 nan 8.290 nan 0.000 0.551 289 K N -0.205 120.086 120.400 -0.181 0.000 2.097 289 K HA 0.061 4.380 4.320 -0.001 0.000 0.206 289 K C 2.443 178.937 176.600 -0.176 0.000 1.049 289 K CA 0.712 56.850 56.287 -0.249 0.000 0.933 289 K CB -0.190 32.237 32.500 -0.122 0.000 0.717 289 K HN 0.350 nan 8.250 nan 0.000 0.442 290 I N 0.480 120.835 120.570 -0.357 0.000 2.113 290 I HA -0.277 3.893 4.170 -0.001 0.000 0.238 290 I C 2.192 178.194 176.117 -0.190 0.000 1.070 290 I CA 1.076 61.998 61.300 -0.630 0.000 1.332 290 I CB -0.318 37.393 38.000 -0.482 0.000 1.044 290 I HN -0.095 nan 8.210 nan 0.000 0.402 291 V N 0.127 119.977 119.914 -0.107 0.000 2.453 291 V HA -0.294 3.826 4.120 -0.001 0.000 0.252 291 V C 1.176 177.170 176.094 -0.166 0.000 1.068 291 V CA 1.866 64.104 62.300 -0.102 0.000 1.070 291 V CB -1.097 30.670 31.823 -0.093 0.000 0.664 291 V HN 0.470 nan 8.190 nan 0.000 0.461 292 H N -1.443 117.599 119.070 -0.048 0.000 2.577 292 H HA 0.201 4.756 4.556 -0.001 0.000 0.306 292 H C 1.325 176.688 175.328 0.058 0.000 1.109 292 H CA -0.396 55.638 56.048 -0.024 0.000 1.063 292 H CB -0.736 29.071 29.762 0.074 0.000 1.535 292 H HN 0.667 nan 8.280 nan 0.000 0.532 293 Y N 0.256 120.659 120.300 0.171 0.000 2.241 293 Y HA -0.242 4.308 4.550 -0.001 0.000 0.286 293 Y C 1.680 177.765 175.900 0.308 0.000 1.166 293 Y CA 0.986 59.291 58.100 0.341 0.000 1.203 293 Y CB -0.247 38.479 38.460 0.444 0.000 0.977 293 Y HN -0.023 nan 8.280 nan 0.000 0.529 294 K N 0.606 120.774 120.400 -0.387 0.000 2.057 294 K HA -0.162 4.157 4.320 -0.001 0.000 0.207 294 K C 2.573 179.185 176.600 0.020 0.000 1.049 294 K CA 2.073 58.267 56.287 -0.156 0.000 0.931 294 K CB -0.344 31.993 32.500 -0.271 0.000 0.714 294 K HN 0.647 nan 8.250 nan 0.000 0.440 295 E N 0.743 120.978 120.200 0.058 0.000 2.028 295 E HA -0.136 4.213 4.350 -0.001 0.000 0.190 295 E C 1.794 178.414 176.600 0.032 0.000 0.984 295 E CA 1.251 57.674 56.400 0.038 0.000 0.800 295 E CB -0.764 28.960 29.700 0.040 0.000 0.758 295 E HN 0.438 nan 8.360 nan 0.000 0.448 296 H N -1.431 117.730 119.070 0.152 0.000 2.535 296 H HA 0.159 4.715 4.556 -0.000 0.000 0.273 296 H C 0.350 175.796 175.328 0.196 0.000 0.983 296 H CA 0.311 56.468 56.048 0.180 0.000 1.238 296 H CB 0.312 30.212 29.762 0.229 0.000 1.412 296 H HN 0.289 nan 8.280 nan 0.000 0.562 297 L N 1.957 123.381 121.223 0.335 0.000 2.369 297 L HA 0.345 4.685 4.340 -0.001 0.000 0.279 297 L C 0.201 177.127 176.870 0.093 0.000 1.108 297 L CA 0.163 55.121 54.840 0.196 0.000 0.852 297 L CB 0.164 42.397 42.059 0.291 0.000 1.169 297 L HN 0.069 nan 8.230 nan 0.000 0.452 298 S N 5.103 120.821 115.700 0.029 0.000 2.542 298 S HA 0.867 5.337 4.470 -0.001 0.000 0.293 298 S C -1.049 173.535 174.600 -0.027 0.000 1.089 298 S CA -0.662 57.542 58.200 0.006 0.000 0.961 298 S CB 1.033 64.228 63.200 -0.008 0.000 1.062 298 S HN 0.440 nan 8.310 nan 0.000 0.483 299 L N 3.612 124.787 121.223 -0.081 0.000 2.438 299 L HA 0.633 4.973 4.340 -0.001 0.000 0.270 299 L C -2.011 174.747 176.870 -0.187 0.000 0.972 299 L CA -1.117 53.575 54.840 -0.246 0.000 0.831 299 L CB 1.385 43.375 42.059 -0.114 0.000 1.273 299 L HN 0.557 nan 8.230 nan 0.000 0.405 306 V N 4.038 123.904 119.914 -0.080 0.000 2.334 306 V HA 0.480 4.599 4.120 -0.001 0.000 0.281 306 V C -1.594 174.405 176.094 -0.158 0.000 1.016 306 V CA -1.430 60.749 62.300 -0.202 0.000 0.832 306 V CB 1.513 33.123 31.823 -0.356 0.000 0.999 306 V HN 0.223 nan 8.190 nan 0.000 0.439 307 P HA 0.207 nan 4.420 nan 0.000 0.274 307 P C 0.631 177.878 177.300 -0.088 0.000 1.246 307 P CA -0.268 62.779 63.100 -0.089 0.000 0.795 307 P CB 1.447 33.109 31.700 -0.062 0.000 1.006 308 E N 0.760 120.935 120.200 -0.042 0.000 2.160 308 E HA -0.234 4.116 4.350 -0.001 0.000 0.195 308 E C 1.487 178.093 176.600 0.009 0.000 0.991 308 E CA 1.766 58.154 56.400 -0.019 0.000 0.810 308 E CB -0.345 29.350 29.700 -0.009 0.000 0.742 308 E HN 0.452 nan 8.360 nan 0.000 0.466 309 E N 0.068 120.290 120.200 0.037 0.000 2.072 309 E HA -0.087 4.262 4.350 -0.001 0.000 0.191 309 E C 1.989 178.681 176.600 0.155 0.000 0.985 309 E CA 1.307 57.801 56.400 0.158 0.000 0.801 309 E CB -0.498 29.317 29.700 0.192 0.000 0.750 309 E HN 0.357 nan 8.360 nan 0.000 0.452 310 A N 1.354 124.135 122.820 -0.065 0.000 1.855 310 A HA -0.190 4.130 4.320 -0.001 0.000 0.215 310 A C 2.190 179.545 177.584 -0.382 0.000 1.191 310 A CA 1.676 53.390 52.037 -0.539 0.000 0.613 310 A CB -0.552 17.817 19.000 -1.051 0.000 0.829 310 A HN 0.122 nan 8.150 nan 0.000 0.442 311 R N -0.361 119.988 120.500 -0.253 0.000 2.113 311 R HA -0.270 4.070 4.340 -0.001 0.000 0.244 311 R C 1.937 178.239 176.300 0.004 0.000 1.142 311 R CA 2.393 58.444 56.100 -0.083 0.000 0.953 311 R CB -0.534 29.753 30.300 -0.022 0.000 0.860 311 R HN 0.649 nan 8.270 nan 0.000 0.438 312 D N -0.818 119.618 120.400 0.060 0.000 2.117 312 D HA -0.195 4.445 4.640 -0.001 0.000 0.197 312 D C 1.755 178.163 176.300 0.180 0.000 0.987 312 D CA 1.110 55.198 54.000 0.146 0.000 0.829 312 D CB -0.180 40.745 40.800 0.209 0.000 0.961 312 D HN 0.241 nan 8.370 nan 0.000 0.460 313 F N 0.696 120.595 119.950 -0.084 0.000 2.120 313 F HA -0.148 4.378 4.527 -0.001 0.000 0.300 313 F C 1.856 177.525 175.800 -0.220 0.000 1.095 313 F CA 1.390 59.140 58.000 -0.417 0.000 1.249 313 F CB -0.255 38.305 39.000 -0.733 0.000 0.995 313 F HN 0.040 nan 8.300 nan 0.000 0.480 314 I N 0.121 120.603 120.570 -0.146 0.000 2.286 314 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 314 I C 2.849 178.897 176.117 -0.116 0.000 1.104 314 I CA 1.434 62.650 61.300 -0.141 0.000 1.397 314 I CB -1.186 36.848 38.000 0.056 0.000 1.072 314 I HN 0.296 nan 8.210 nan 0.000 0.417 315 Q N 0.506 120.287 119.800 -0.033 0.000 2.439 315 Q HA -0.114 4.226 4.340 -0.001 0.000 0.211 315 Q C 2.014 178.002 176.000 -0.019 0.000 0.978 315 Q CA 1.148 56.953 55.803 0.005 0.000 0.897 315 Q CB -0.694 28.072 28.738 0.047 0.000 0.956 315 Q HN 0.347 nan 8.270 nan 0.000 0.483 316 R N -0.947 119.503 120.500 -0.083 0.000 2.427 316 R HA 0.418 4.758 4.340 -0.001 0.000 0.262 316 R C 1.092 177.287 176.300 -0.175 0.000 0.943 316 R CA 0.171 56.215 56.100 -0.093 0.000 1.081 316 R CB 0.267 30.542 30.300 -0.042 0.000 1.166 316 R HN 0.537 nan 8.270 nan 0.000 0.534 317 L N -0.860 120.232 121.223 -0.218 0.000 2.638 317 L HA 0.266 4.606 4.340 -0.001 0.000 0.195 317 L C 0.625 177.354 176.870 -0.236 0.000 1.065 317 L CA 0.065 54.786 54.840 -0.198 0.000 0.859 317 L CB 0.195 42.080 42.059 -0.289 0.000 1.269 317 L HN -0.054 nan 8.230 nan 0.000 0.484 318 L N 2.547 123.524 121.223 -0.411 0.000 2.376 318 L HA 0.161 4.500 4.340 -0.001 0.000 0.250 318 L C -0.484 176.271 176.870 -0.192 0.000 1.335 318 L CA -0.346 54.077 54.840 -0.696 0.000 1.214 318 L CB -0.932 40.785 42.059 -0.570 0.000 1.395 318 L HN 0.462 nan 8.230 nan 0.000 0.424 319 C N -0.258 119.052 119.300 0.017 0.000 3.306 319 C HA 0.605 5.065 4.460 -0.001 0.000 0.335 319 C C -2.834 172.301 174.990 0.242 0.000 1.382 319 C CA -1.816 57.320 59.018 0.197 0.000 1.254 319 C CB 1.710 29.530 27.740 0.133 0.000 1.555 319 C HN 0.266 nan 8.230 nan 0.000 0.463 320 P HA 0.252 nan 4.420 nan 0.000 0.269 320 P C -2.156 175.234 177.300 0.150 0.000 1.209 320 P CA -0.448 62.791 63.100 0.233 0.000 0.776 320 P CB 0.112 31.933 31.700 0.203 0.000 0.876 321 P HA -0.220 nan 4.420 nan 0.000 0.217 321 P C 1.240 178.587 177.300 0.079 0.000 1.151 321 P CA 1.745 64.909 63.100 0.107 0.000 0.849 321 P CB -0.049 31.702 31.700 0.084 0.000 0.787 322 E N -1.158 119.081 120.200 0.065 0.000 2.058 322 E HA -0.145 4.205 4.350 -0.001 0.000 0.194 322 E C 1.912 178.532 176.600 0.033 0.000 0.997 322 E CA 1.682 58.108 56.400 0.044 0.000 0.801 322 E CB -1.648 28.076 29.700 0.040 0.000 0.746 322 E HN 0.180 nan 8.360 nan 0.000 0.450 323 T N 0.320 114.901 114.554 0.046 0.000 3.072 323 T HA -0.036 4.314 4.350 -0.001 0.000 0.266 323 T C 0.738 175.444 174.700 0.010 0.000 1.127 323 T CA 0.150 62.270 62.100 0.033 0.000 1.107 323 T CB -0.090 68.813 68.868 0.057 0.000 0.910 323 T HN 0.012 nan 8.240 nan 0.000 0.513 324 R N 1.456 121.969 120.500 0.022 0.000 2.340 324 R HA 0.316 4.656 4.340 -0.001 0.000 0.300 324 R C -0.372 175.868 176.300 -0.100 0.000 1.069 324 R CA -0.437 55.665 56.100 0.004 0.000 0.984 324 R CB 0.261 30.620 30.300 0.098 0.000 1.003 324 R HN 0.271 nan 8.270 nan 0.000 0.459 325 L N 3.535 124.624 121.223 -0.223 0.000 2.514 325 L HA 0.017 4.357 4.340 -0.001 0.000 0.280 325 L C 1.412 177.899 176.870 -0.638 0.000 1.223 325 L CA 1.301 55.822 54.840 -0.533 0.000 0.864 325 L CB 0.576 42.140 42.059 -0.825 0.000 1.118 325 L HN 1.115 nan 8.230 nan 0.000 0.494 326 G N 0.981 109.304 108.800 -0.794 0.000 2.157 326 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.239 326 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.239 326 G C 1.057 175.874 174.900 -0.138 0.000 0.982 326 G CA 0.459 45.118 45.100 -0.735 0.000 0.650 326 G HN 0.492 nan 8.290 nan 0.000 0.527 327 R N 0.205 120.643 120.500 -0.103 0.000 2.091 327 R HA 0.065 4.405 4.340 -0.001 0.000 0.238 327 R C 2.495 178.806 176.300 0.020 0.000 1.136 327 R CA 2.520 58.625 56.100 0.009 0.000 0.959 327 R CB -0.820 29.471 30.300 -0.016 0.000 0.856 327 R HN 1.324 nan 8.270 nan 0.000 0.437 328 G N -1.485 107.290 108.800 -0.041 0.000 3.609 328 G HA2 0.469 4.428 3.960 -0.001 0.000 0.280 328 G HA3 0.469 4.428 3.960 -0.001 0.000 0.280 328 G C 0.685 175.592 174.900 0.012 0.000 1.155 328 G CA 0.333 45.425 45.100 -0.013 0.000 0.876 328 G HN 0.915 nan 8.290 nan 0.000 0.535 329 G N -0.498 108.352 108.800 0.083 0.000 2.698 329 G HA2 0.138 4.098 3.960 -0.001 0.000 0.233 329 G HA3 0.138 4.098 3.960 -0.001 0.000 0.233 329 G C 1.330 176.280 174.900 0.084 0.000 1.352 329 G CA 0.161 45.392 45.100 0.218 0.000 0.879 329 G HN 1.230 nan 8.290 nan 0.000 0.567 330 A N -0.784 122.139 122.820 0.171 0.000 1.971 330 A HA 0.008 4.327 4.320 -0.001 0.000 0.222 330 A C 3.189 180.715 177.584 -0.098 0.000 1.182 330 A CA 3.459 55.537 52.037 0.068 0.000 0.649 330 A CB -1.295 17.678 19.000 -0.046 0.000 0.818 330 A HN 2.582 nan 8.150 nan 0.000 0.458 331 G N -0.079 108.643 108.800 -0.130 0.000 2.556 331 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.220 331 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.220 331 G C 1.057 175.828 174.900 -0.215 0.000 1.156 331 G CA 1.565 46.552 45.100 -0.188 0.000 0.766 331 G HN 0.573 nan 8.290 nan 0.000 0.583 332 D N 0.366 120.614 120.400 -0.254 0.000 2.133 332 D HA -0.114 4.526 4.640 -0.001 0.000 0.195 332 D C 2.129 178.246 176.300 -0.306 0.000 0.997 332 D CA 1.008 54.799 54.000 -0.348 0.000 0.840 332 D CB -0.377 40.059 40.800 -0.606 0.000 0.947 332 D HN 0.455 nan 8.370 nan 0.000 0.452 333 F N 0.788 120.646 119.950 -0.153 0.000 2.186 333 F HA 0.004 4.530 4.527 -0.001 0.000 0.299 333 F C 2.362 178.213 175.800 0.085 0.000 1.090 333 F CA 0.711 58.746 58.000 0.058 0.000 1.307 333 F CB -0.264 38.717 39.000 -0.032 0.000 1.019 333 F HN -0.171 nan 8.300 nan 0.000 0.489 334 R N -0.015 120.330 120.500 -0.257 0.000 2.113 334 R HA -0.202 4.138 4.340 -0.001 0.000 0.244 334 R C 2.171 178.578 176.300 0.177 0.000 1.142 334 R CA 2.111 58.049 56.100 -0.270 0.000 0.953 334 R CB -1.592 28.372 30.300 -0.560 0.000 0.860 334 R HN 0.392 nan 8.270 nan 0.000 0.438 335 T N -1.538 113.080 114.554 0.106 0.000 3.163 335 T HA -0.079 4.270 4.350 -0.001 0.000 0.260 335 T C 0.692 175.536 174.700 0.238 0.000 1.156 335 T CA 0.254 62.441 62.100 0.146 0.000 1.072 335 T CB -0.277 68.619 68.868 0.047 0.000 0.937 335 T HN 0.185 nan 8.240 nan 0.000 0.528 336 H N 1.828 121.086 119.070 0.314 0.000 2.525 336 H HA 0.241 4.796 4.556 -0.001 0.000 0.339 336 H C -1.802 173.742 175.328 0.360 0.000 1.109 336 H CA -2.027 54.226 56.048 0.343 0.000 1.352 336 H CB 1.992 32.047 29.762 0.489 0.000 1.461 336 H HN -0.068 nan 8.280 nan 0.000 0.533 337 P HA -0.230 nan 4.420 nan 0.000 0.218 337 P C 1.439 178.933 177.300 0.323 0.000 1.154 337 P CA 1.278 64.463 63.100 0.142 0.000 0.872 337 P CB -0.201 31.462 31.700 -0.061 0.000 0.790 338 F N -0.964 119.211 119.950 0.375 0.000 2.202 338 F HA -0.112 4.414 4.527 -0.001 0.000 0.301 338 F C 1.429 177.097 175.800 -0.219 0.000 1.082 338 F CA 1.382 59.335 58.000 -0.078 0.000 1.313 338 F CB -0.622 38.067 39.000 -0.517 0.000 1.024 338 F HN -0.182 nan 8.300 nan 0.000 0.495 339 F N -0.730 119.338 119.950 0.197 0.000 2.668 339 F HA 0.136 4.663 4.527 -0.000 0.000 0.297 339 F C 0.346 176.225 175.800 0.132 0.000 1.124 339 F CA -0.734 57.313 58.000 0.079 0.000 1.353 339 F CB -0.589 38.654 39.000 0.406 0.000 0.992 339 F HN -0.214 nan 8.300 nan 0.000 0.524 340 F N 1.272 121.307 119.950 0.141 0.000 2.607 340 F HA 0.366 4.893 4.527 -0.000 0.000 0.374 340 F C 1.293 177.134 175.800 0.068 0.000 1.104 340 F CA 0.639 58.709 58.000 0.117 0.000 1.296 340 F CB 0.562 39.593 39.000 0.053 0.000 1.085 340 F HN 0.265 nan 8.300 nan 0.000 0.584 341 G N 4.523 112.727 108.800 -0.992 0.000 2.148 341 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.254 341 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.254 341 G C -0.438 174.285 174.900 -0.295 0.000 0.981 341 G CA 0.127 44.792 45.100 -0.725 0.000 0.670 341 G HN 0.835 nan 8.290 nan 0.000 0.528 342 L N 1.276 122.383 121.223 -0.194 0.000 2.276 342 L HA 0.659 4.998 4.340 -0.001 0.000 0.286 342 L C 0.090 176.840 176.870 -0.200 0.000 1.061 342 L CA -0.975 53.726 54.840 -0.232 0.000 0.807 342 L CB 1.377 43.213 42.059 -0.372 0.000 1.177 342 L HN 0.158 nan 8.230 nan 0.000 0.429 343 D N 3.755 124.057 120.400 -0.163 0.000 2.435 343 D HA 0.037 4.677 4.640 -0.001 0.000 0.230 343 D C 0.441 176.710 176.300 -0.052 0.000 1.215 343 D CA 0.022 53.993 54.000 -0.048 0.000 0.947 343 D CB 0.201 40.986 40.800 -0.025 0.000 1.048 343 D HN 0.517 nan 8.370 nan 0.000 0.512 344 W N 2.098 123.384 121.300 -0.024 0.000 2.355 344 W HA -0.094 4.565 4.660 -0.001 0.000 0.309 344 W C 1.841 178.373 176.519 0.022 0.000 1.206 344 W CA 0.662 57.993 57.345 -0.023 0.000 1.284 344 W CB -0.046 29.385 29.460 -0.048 0.000 1.145 344 W HN 0.380 nan 8.180 nan 0.000 0.502 345 D N -1.132 119.416 120.400 0.246 0.000 2.178 345 D HA -0.092 4.548 4.640 -0.001 0.000 0.201 345 D C 2.153 178.525 176.300 0.121 0.000 0.980 345 D CA 1.675 55.776 54.000 0.168 0.000 0.842 345 D CB -0.796 40.076 40.800 0.120 0.000 0.948 345 D HN 0.280 nan 8.370 nan 0.000 0.472 346 G N 0.156 109.010 108.800 0.090 0.000 3.284 346 G HA2 0.055 4.015 3.960 -0.001 0.000 0.236 346 G HA3 0.055 4.015 3.960 -0.001 0.000 0.236 346 G C 1.354 176.296 174.900 0.070 0.000 1.158 346 G CA -0.248 44.890 45.100 0.063 0.000 0.774 346 G HN 0.094 nan 8.290 nan 0.000 0.545 347 L N 1.054 122.324 121.223 0.079 0.000 1.976 347 L HA 0.101 4.441 4.340 -0.001 0.000 0.209 347 L C 2.673 179.638 176.870 0.158 0.000 1.071 347 L CA 1.876 56.763 54.840 0.078 0.000 0.746 347 L CB -0.385 41.661 42.059 -0.023 0.000 0.890 347 L HN 0.214 nan 8.230 nan 0.000 0.432 348 R N -0.175 120.381 120.500 0.094 0.000 2.152 348 R HA -0.121 4.219 4.340 -0.001 0.000 0.232 348 R C 1.351 177.501 176.300 -0.250 0.000 1.117 348 R CA 1.582 57.590 56.100 -0.153 0.000 0.981 348 R CB -0.571 29.488 30.300 -0.402 0.000 0.870 348 R HN 0.446 nan 8.270 nan 0.000 0.451 349 D N -0.345 120.020 120.400 -0.058 0.000 2.339 349 D HA 0.019 4.659 4.640 -0.001 0.000 0.217 349 D C -0.004 176.352 176.300 0.093 0.000 1.050 349 D CA 0.465 54.454 54.000 -0.018 0.000 0.856 349 D CB 0.205 40.997 40.800 -0.013 0.000 0.922 349 D HN 0.296 nan 8.370 nan 0.000 0.518 350 S N -0.350 115.462 115.700 0.187 0.000 2.617 350 S HA 0.305 4.774 4.470 -0.001 0.000 0.269 350 S C 0.349 175.083 174.600 0.224 0.000 1.292 350 S CA -0.853 57.458 58.200 0.186 0.000 1.010 350 S CB 1.905 65.223 63.200 0.197 0.000 0.944 350 S HN -0.146 nan 8.310 nan 0.000 0.536 351 V N 3.982 123.937 119.914 0.069 0.000 2.446 351 V HA 0.204 4.324 4.120 -0.001 0.000 0.276 351 V C -1.887 174.071 176.094 -0.226 0.000 1.030 351 V CA -1.168 61.109 62.300 -0.038 0.000 1.033 351 V CB -0.305 31.483 31.823 -0.060 0.000 0.993 351 V HN 0.783 nan 8.190 nan 0.000 0.477 352 P HA 0.102 nan 4.420 nan 0.000 0.268 352 P C -1.895 175.014 177.300 -0.651 0.000 1.208 352 P CA -0.969 61.588 63.100 -0.905 0.000 0.777 352 P CB 0.085 31.360 31.700 -0.708 0.000 0.875 353 P HA 0.103 nan 4.420 nan 0.000 0.249 353 P C -0.469 176.740 177.300 -0.151 0.000 1.229 353 P CA 0.596 63.461 63.100 -0.392 0.000 0.788 353 P CB 0.095 31.554 31.700 -0.401 0.000 1.072 354 F N 0.091 119.852 119.950 -0.315 0.000 2.581 354 F HA 0.487 5.014 4.527 -0.001 0.000 0.311 354 F C -1.130 174.629 175.800 -0.070 0.000 1.113 354 F CA -0.445 57.492 58.000 -0.106 0.000 0.935 354 F CB 1.891 40.904 39.000 0.021 0.000 1.232 354 F HN -0.461 nan 8.300 nan 0.000 0.445 355 T N 7.027 121.015 114.554 -0.943 0.000 2.772 355 T HA 0.409 4.759 4.350 -0.001 0.000 0.288 355 T C -2.680 171.459 174.700 -0.936 0.000 0.994 355 T CA -1.258 60.443 62.100 -0.664 0.000 0.951 355 T CB 1.177 69.802 68.868 -0.406 0.000 0.933 355 T HN 0.326 nan 8.240 nan 0.000 0.447 356 P HA 0.330 nan 4.420 nan 0.000 0.269 356 P C 0.078 177.321 177.300 -0.096 0.000 1.209 356 P CA -0.069 62.994 63.100 -0.061 0.000 0.776 356 P CB 0.276 32.051 31.700 0.126 0.000 0.876 364 T N -0.229 114.333 114.554 0.014 0.000 3.268 364 T HA 0.355 4.705 4.350 -0.001 0.000 0.244 364 T C 0.893 175.557 174.700 -0.059 0.000 0.915 364 T CA -0.176 61.913 62.100 -0.018 0.000 0.935 364 T CB -0.598 68.296 68.868 0.044 0.000 1.110 364 T HN 0.335 nan 8.240 nan 0.000 0.573 365 C N 0.198 119.445 119.300 -0.088 0.000 3.123 365 C HA 0.386 4.845 4.460 -0.001 0.000 0.536 365 C C 0.957 175.819 174.990 -0.213 0.000 1.281 365 C CA -0.380 58.566 59.018 -0.120 0.000 2.595 365 C CB -0.086 27.608 27.740 -0.076 0.000 3.423 365 C HN 0.669 nan 8.230 nan 0.000 0.496 366 N N -0.129 118.444 118.700 -0.212 0.000 2.989 366 N HA 0.497 5.237 4.740 -0.001 0.000 0.338 366 N C -1.408 173.887 175.510 -0.358 0.000 1.369 366 N CA -0.293 52.554 53.050 -0.337 0.000 0.794 366 N CB 0.262 38.677 38.487 -0.120 0.000 1.359 366 N HN 0.088 nan 8.380 nan 0.000 0.609 367 F N 0.527 120.480 119.950 0.006 0.000 2.385 367 F HA 0.345 4.872 4.527 -0.001 0.000 0.336 367 F C 1.290 177.094 175.800 0.007 0.000 1.100 367 F CA -0.429 57.575 58.000 0.005 0.000 1.116 367 F CB 0.123 39.126 39.000 0.006 0.000 1.166 367 F HN 0.482 nan 8.300 nan 0.000 0.511 372 D N -0.749 119.671 120.400 0.032 0.000 3.094 372 D HA 0.769 5.408 4.640 -0.001 0.000 0.267 372 D C 1.287 177.602 176.300 0.025 0.000 1.542 372 D CA 1.252 55.267 54.000 0.025 0.000 1.157 372 D CB 0.348 41.160 40.800 0.020 0.000 1.098 372 D HN 2.065 nan 8.370 nan 0.000 0.340 373 G N -1.677 107.140 108.800 0.027 0.000 2.359 373 G HA2 0.336 4.296 3.960 -0.001 0.000 0.314 373 G HA3 0.336 4.296 3.960 -0.001 0.000 0.314 373 G C -1.141 173.770 174.900 0.018 0.000 1.364 373 G CA -0.456 44.660 45.100 0.025 0.000 0.978 373 G HN 0.672 nan 8.290 nan 0.000 0.615 374 L N 0.803 122.034 121.223 0.014 0.000 2.456 374 L HA 0.391 4.730 4.340 -0.001 0.000 0.272 374 L C 1.856 178.729 176.870 0.005 0.000 1.189 374 L CA 0.932 55.774 54.840 0.003 0.000 0.846 374 L CB 0.963 43.014 42.059 -0.013 0.000 1.111 374 L HN 1.057 nan 8.230 nan 0.000 0.475 375 T N -2.569 111.991 114.554 0.010 0.000 3.168 375 T HA 0.113 4.463 4.350 -0.001 0.000 0.261 375 T C 1.447 176.168 174.700 0.034 0.000 0.931 375 T CA 0.432 62.544 62.100 0.020 0.000 0.949 375 T CB 0.115 68.995 68.868 0.020 0.000 1.229 375 T HN 0.495 nan 8.240 nan 0.000 0.504 376 A N 2.141 124.983 122.820 0.037 0.000 1.898 376 A HA 0.282 4.601 4.320 -0.001 0.000 0.216 376 A C 1.752 179.392 177.584 0.093 0.000 1.181 376 A CA 1.044 53.120 52.037 0.065 0.000 0.620 376 A CB -0.552 18.485 19.000 0.063 0.000 0.819 376 A HN 0.455 nan 8.150 nan 0.000 0.442 377 M N 0.809 120.433 119.600 0.040 0.000 2.989 377 M HA 0.269 4.749 4.480 -0.001 0.000 0.307 377 M C -0.409 175.814 176.300 -0.129 0.000 1.224 377 M CA -0.189 55.104 55.300 -0.011 0.000 0.984 377 M CB -0.434 32.062 32.600 -0.174 0.000 1.264 377 M HN 0.293 nan 8.290 nan 0.000 0.525 378 V N -2.549 117.385 119.914 0.033 0.000 3.078 378 V HA 0.604 4.723 4.120 -0.001 0.000 0.311 378 V C 1.141 177.311 176.094 0.126 0.000 1.138 378 V CA -0.469 61.859 62.300 0.047 0.000 1.007 378 V CB 1.444 33.275 31.823 0.013 0.000 1.045 378 V HN 0.436 nan 8.190 nan 0.000 0.432 379 S N 1.327 117.102 115.700 0.126 0.000 2.402 379 S HA -0.077 4.393 4.470 -0.001 0.000 0.233 379 S C 1.372 176.018 174.600 0.076 0.000 1.030 379 S CA 1.242 59.508 58.200 0.110 0.000 1.003 379 S CB -0.942 62.308 63.200 0.083 0.000 0.813 379 S HN 1.958 nan 8.310 nan 0.000 0.477 380 G N 0.892 109.727 108.800 0.059 0.000 3.008 380 G HA2 0.531 4.491 3.960 -0.001 0.000 0.272 380 G HA3 0.531 4.491 3.960 -0.001 0.000 0.272 380 G C 0.263 175.195 174.900 0.053 0.000 0.764 380 G CA -0.066 45.062 45.100 0.046 0.000 2.029 380 G HN 0.915 nan 8.290 nan 0.000 0.587 381 G N -0.252 108.588 108.800 0.067 0.000 2.392 381 G HA2 0.540 4.499 3.960 -0.001 0.000 0.260 381 G HA3 0.540 4.499 3.960 -0.001 0.000 0.260 381 G C 0.267 175.223 174.900 0.094 0.000 1.226 381 G CA 0.001 45.147 45.100 0.077 0.000 0.913 381 G HN 0.903 nan 8.290 nan 0.000 0.483 382 G N 0.283 109.150 108.800 0.112 0.000 2.138 382 G HA2 0.533 4.493 3.960 -0.001 0.000 0.244 382 G HA3 0.533 4.493 3.960 -0.001 0.000 0.244 382 G C 0.476 175.449 174.900 0.122 0.000 1.166 382 G CA 1.316 46.488 45.100 0.121 0.000 0.902 382 G HN 1.463 nan 8.290 nan 0.000 0.460 383 E N 1.306 121.591 120.200 0.141 0.000 2.452 383 E HA 0.463 4.812 4.350 -0.001 0.000 0.261 383 E C 0.950 177.645 176.600 0.157 0.000 0.987 383 E CA 0.361 56.846 56.400 0.142 0.000 0.926 383 E CB 0.065 29.876 29.700 0.185 0.000 0.934 383 E HN 1.122 nan 8.360 nan 0.000 0.452 384 T N -0.964 113.582 114.554 -0.014 0.000 2.942 384 T HA 0.551 4.901 4.350 -0.001 0.000 0.289 384 T C 1.321 175.842 174.700 -0.298 0.000 1.044 384 T CA -0.597 61.423 62.100 -0.133 0.000 1.023 384 T CB 0.979 69.738 68.868 -0.182 0.000 1.123 384 T HN 0.400 nan 8.240 nan 0.000 0.512 385 L N 0.668 121.694 121.223 -0.328 0.000 2.129 385 L HA -0.144 4.196 4.340 -0.001 0.000 0.212 385 L C 2.834 179.527 176.870 -0.294 0.000 1.087 385 L CA 1.288 55.886 54.840 -0.404 0.000 0.757 385 L CB -0.742 41.137 42.059 -0.300 0.000 0.896 385 L HN 0.745 nan 8.230 nan 0.000 0.434 386 S N -0.581 115.003 115.700 -0.194 0.000 2.469 386 S HA -0.138 4.332 4.470 -0.001 0.000 0.238 386 S C 1.258 175.780 174.600 -0.130 0.000 0.998 386 S CA 1.139 59.264 58.200 -0.125 0.000 0.957 386 S CB -0.176 62.983 63.200 -0.069 0.000 0.764 386 S HN 0.506 nan 8.310 nan 0.000 0.514 387 D N 0.689 120.988 120.400 -0.168 0.000 2.338 387 D HA 0.212 4.852 4.640 -0.001 0.000 0.208 387 D C 1.131 177.321 176.300 -0.183 0.000 0.997 387 D CA 0.332 54.249 54.000 -0.137 0.000 0.880 387 D CB -0.481 40.263 40.800 -0.093 0.000 0.980 387 D HN 0.407 nan 8.370 nan 0.000 0.509 395 G N -0.509 108.285 108.800 -0.009 0.000 2.148 395 G HA2 0.191 4.151 3.960 -0.001 0.000 0.120 395 G HA3 0.191 4.151 3.960 -0.001 0.000 0.120 395 G C 0.856 175.760 174.900 0.007 0.000 1.034 395 G CA 0.725 45.833 45.100 0.013 0.000 0.710 395 G HN 1.974 nan 8.290 nan 0.000 0.495 396 V N -2.910 116.973 119.914 -0.052 0.000 3.041 396 V HA 0.159 4.279 4.120 -0.001 0.000 0.260 396 V C 1.805 177.878 176.094 -0.035 0.000 1.105 396 V CA 2.260 64.510 62.300 -0.083 0.000 1.125 396 V CB -0.675 31.019 31.823 -0.215 0.000 0.730 396 V HN 0.441 nan 8.190 nan 0.000 0.479 397 H N -0.265 118.911 119.070 0.177 0.000 2.553 397 H HA 0.366 4.921 4.556 -0.001 0.000 0.265 397 H C 1.984 177.448 175.328 0.226 0.000 0.964 397 H CA 0.453 56.674 56.048 0.289 0.000 1.156 397 H CB 0.159 30.039 29.762 0.197 0.000 1.411 397 H HN 0.336 nan 8.280 nan 0.000 0.558 398 L N 0.788 122.115 121.223 0.173 0.000 2.042 398 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 398 L C -0.550 176.310 176.870 -0.017 0.000 1.076 398 L CA 1.018 55.909 54.840 0.086 0.000 0.749 398 L CB -1.121 40.963 42.059 0.043 0.000 0.893 398 L HN 0.238 nan 8.230 nan 0.000 0.432 399 P HA -0.124 nan 4.420 nan 0.000 0.236 399 P C 0.629 177.668 177.300 -0.435 0.000 1.172 399 P CA 1.301 64.159 63.100 -0.403 0.000 0.759 399 P CB -0.071 31.245 31.700 -0.640 0.000 0.843 400 F N -2.824 117.264 119.950 0.230 0.000 2.706 400 F HA 0.155 4.682 4.527 -0.001 0.000 0.313 400 F C 0.981 176.935 175.800 0.258 0.000 1.096 400 F CA -0.565 57.588 58.000 0.255 0.000 1.219 400 F CB -0.044 38.999 39.000 0.072 0.000 1.051 400 F HN -0.349 nan 8.300 nan 0.000 0.568 401 V N 2.191 122.285 119.914 0.300 0.000 2.506 401 V HA 0.304 4.423 4.120 -0.001 0.000 0.296 401 V C 1.034 177.267 176.094 0.232 0.000 1.004 401 V CA 1.526 63.965 62.300 0.232 0.000 1.150 401 V CB 0.111 32.024 31.823 0.150 0.000 0.911 401 V HN 0.729 nan 8.190 nan 0.000 0.476 402 G N 4.912 113.858 108.800 0.243 0.000 2.176 402 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.232 402 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.232 402 G C 0.456 175.512 174.900 0.260 0.000 0.986 402 G CA 0.616 45.843 45.100 0.211 0.000 0.643 402 G HN 1.102 nan 8.290 nan 0.000 0.522 403 Y N 2.174 122.616 120.300 0.237 0.000 2.200 403 Y HA 0.253 4.803 4.550 -0.001 0.000 0.290 403 Y C 1.948 177.995 175.900 0.245 0.000 1.137 403 Y CA 1.751 60.005 58.100 0.256 0.000 1.163 403 Y CB -0.042 38.606 38.460 0.314 0.000 0.988 403 Y HN 0.267 nan 8.280 nan 0.000 0.518 404 S N 0.465 116.423 115.700 0.430 0.000 2.558 404 S HA 0.022 4.491 4.470 -0.001 0.000 0.288 404 S C -1.143 173.662 174.600 0.342 0.000 1.318 404 S CA 0.113 58.550 58.200 0.395 0.000 1.056 404 S CB 0.159 63.553 63.200 0.323 0.000 0.853 404 S HN 0.352 nan 8.310 nan 0.000 0.505 405 Y N 1.759 122.184 120.300 0.208 0.000 2.396 405 Y HA 0.345 4.894 4.550 -0.001 0.000 0.332 405 Y C 0.101 176.131 175.900 0.216 0.000 1.034 405 Y CA -0.951 57.239 58.100 0.151 0.000 1.057 405 Y CB 1.024 39.529 38.460 0.076 0.000 1.220 405 Y HN 0.866 nan 8.280 nan 0.000 0.440 406 S N 2.336 117.780 115.700 -0.428 0.000 3.290 406 S HA -0.270 4.200 4.470 -0.001 0.000 0.255 406 S C 0.629 175.257 174.600 0.046 0.000 0.721 406 S CA 0.837 58.865 58.200 -0.286 0.000 1.365 406 S CB -2.285 60.594 63.200 -0.534 0.000 0.903 406 S HN 1.392 nan 8.310 nan 0.000 0.410 407 C N 0.715 120.055 119.300 0.067 0.000 3.000 407 C HA 0.559 5.019 4.460 -0.001 0.000 0.286 407 C C 0.886 175.823 174.990 -0.089 0.000 1.343 407 C CA -0.894 58.142 59.018 0.031 0.000 1.742 407 C CB -0.977 26.823 27.740 0.101 0.000 2.200 407 C HN 0.790 nan 8.230 nan 0.000 0.621 408 M N 1.901 121.468 119.600 -0.056 0.000 3.347 408 M HA 0.283 4.763 4.480 -0.001 0.000 0.260 408 M C 0.765 177.015 176.300 -0.084 0.000 1.362 408 M CA 0.120 55.371 55.300 -0.083 0.000 1.497 408 M CB 0.578 33.148 32.600 -0.050 0.000 1.080 408 M HN 0.501 nan 8.290 nan 0.000 0.592 409 A N 2.441 125.167 122.820 -0.155 0.000 2.797 409 A HA 0.557 4.876 4.320 -0.001 0.000 0.287 409 A C -0.260 177.240 177.584 -0.141 0.000 1.369 409 A CA -0.017 51.937 52.037 -0.138 0.000 0.968 409 A CB -0.061 18.732 19.000 -0.345 0.000 1.069 409 A HN 0.614 nan 8.150 nan 0.000 0.571 410 L N -1.054 120.102 121.223 -0.112 0.000 2.491 410 L HA 0.646 4.986 4.340 -0.001 0.000 0.254 410 L C -0.136 176.691 176.870 -0.072 0.000 1.048 410 L CA -0.379 54.397 54.840 -0.107 0.000 0.855 410 L CB 1.986 43.963 42.059 -0.138 0.000 1.466 410 L HN 0.474 nan 8.230 nan 0.000 0.409 411 R N -1.051 119.411 120.500 -0.064 0.000 2.905 411 R HA 0.641 4.981 4.340 -0.001 0.000 0.260 411 R C 0.370 176.641 176.300 -0.049 0.000 1.086 411 R CA -0.149 55.922 56.100 -0.047 0.000 0.978 411 R CB 0.208 30.487 30.300 -0.035 0.000 1.215 411 R HN 0.664 nan 8.270 nan 0.000 0.480 412 D N 0.553 120.930 120.400 -0.040 0.000 2.092 412 D HA -0.214 4.426 4.640 -0.001 0.000 0.193 412 D C 1.732 178.008 176.300 -0.040 0.000 0.994 412 D CA 2.230 56.206 54.000 -0.039 0.000 0.828 412 D CB -0.541 40.241 40.800 -0.031 0.000 0.963 412 D HN 0.599 nan 8.370 nan 0.000 0.450 413 S N -0.065 115.614 115.700 -0.035 0.000 2.441 413 S HA -0.185 4.285 4.470 -0.001 0.000 0.242 413 S C 1.398 175.973 174.600 -0.042 0.000 1.018 413 S CA 1.796 59.975 58.200 -0.035 0.000 0.988 413 S CB -0.353 62.829 63.200 -0.030 0.000 0.778 413 S HN 0.770 nan 8.310 nan 0.000 0.498 414 E N 0.396 120.565 120.200 -0.051 0.000 2.501 414 E HA 0.472 4.822 4.350 -0.001 0.000 0.201 414 E C 0.051 176.609 176.600 -0.071 0.000 1.016 414 E CA 0.268 56.631 56.400 -0.062 0.000 0.920 414 E CB 0.993 30.650 29.700 -0.071 0.000 1.023 414 E HN 0.637 nan 8.360 nan 0.000 0.474 415 V N 2.561 122.436 119.914 -0.064 0.000 2.588 415 V HA 0.411 4.530 4.120 -0.001 0.000 0.304 415 V C -2.143 173.916 176.094 -0.059 0.000 1.042 415 V CA -1.926 60.332 62.300 -0.069 0.000 0.877 415 V CB 1.046 32.826 31.823 -0.072 0.000 0.996 415 V HN -0.113 nan 8.190 nan 0.000 0.425 416 P HA 0.000 nan 4.420 nan 0.000 0.216 416 P CA 0.000 63.069 63.100 -0.051 0.000 0.800 416 P CB 0.000 31.669 31.700 -0.051 0.000 0.726