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 1zm9_1_E DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.823 176.094 -0.451 0.000 1.182 2 V CA 0.000 62.106 62.300 -0.323 0.000 1.235 2 V CB 0.000 31.521 31.823 -0.503 0.000 1.184 3 A N 5.433 128.017 122.820 -0.395 0.000 2.354 3 A HA 0.798 5.119 4.320 0.001 0.000 0.281 3 A C -1.025 176.324 177.584 -0.393 0.000 1.174 3 A CA 0.132 51.998 52.037 -0.283 0.000 0.828 3 A CB -0.128 18.775 19.000 -0.162 0.000 1.099 3 A HN 0.766 nan 8.150 nan 0.000 0.516 4 F N 0.770 120.685 119.950 -0.057 0.000 2.538 4 F HA 0.549 5.077 4.527 0.001 0.000 0.325 4 F C 1.132 176.903 175.800 -0.047 0.000 1.066 4 F CA -0.396 57.561 58.000 -0.072 0.000 0.946 4 F CB 2.247 41.195 39.000 -0.087 0.000 1.199 4 F HN 0.647 nan 8.300 nan 0.000 0.473 5 T N -1.377 113.295 114.554 0.198 0.000 2.899 5 T HA 0.339 4.690 4.350 0.001 0.000 0.284 5 T C 1.087 175.824 174.700 0.061 0.000 1.004 5 T CA -0.727 61.426 62.100 0.087 0.000 1.043 5 T CB 1.217 70.117 68.868 0.053 0.000 1.013 5 T HN 0.321 nan 8.240 nan 0.000 0.518 6 V N 1.510 121.444 119.914 0.034 0.000 2.370 6 V HA -0.213 3.907 4.120 0.001 0.000 0.252 6 V C 2.507 178.596 176.094 -0.007 0.000 1.068 6 V CA 2.213 64.523 62.300 0.016 0.000 1.061 6 V CB -0.795 31.034 31.823 0.010 0.000 0.656 6 V HN 0.911 nan 8.190 nan 0.000 0.455 7 D N -0.507 119.888 120.400 -0.009 0.000 2.078 7 D HA -0.192 4.449 4.640 0.001 0.000 0.193 7 D C 2.307 178.570 176.300 -0.061 0.000 0.990 7 D CA 1.558 55.541 54.000 -0.028 0.000 0.827 7 D CB -0.229 40.559 40.800 -0.019 0.000 0.975 7 D HN 0.561 nan 8.370 nan 0.000 0.451 8 Q N -0.161 119.599 119.800 -0.066 0.000 2.029 8 Q HA -0.197 4.144 4.340 0.001 0.000 0.209 8 Q C 2.335 178.169 176.000 -0.277 0.000 0.999 8 Q CA 1.295 56.991 55.803 -0.177 0.000 0.857 8 Q CB -0.150 28.502 28.738 -0.143 0.000 0.926 8 Q HN 0.261 nan 8.270 nan 0.000 0.415 9 M N 0.284 119.754 119.600 -0.216 0.000 2.082 9 M HA -0.206 4.274 4.480 0.001 0.000 0.258 9 M C 2.251 178.478 176.300 -0.122 0.000 1.071 9 M CA 1.751 56.945 55.300 -0.177 0.000 1.103 9 M CB -1.014 31.555 32.600 -0.052 0.000 1.307 9 M HN 0.131 nan 8.290 nan 0.000 0.409 10 R N 0.446 120.899 120.500 -0.078 0.000 2.133 10 R HA -0.164 4.176 4.340 0.001 0.000 0.245 10 R C 2.308 178.565 176.300 -0.072 0.000 1.137 10 R CA 2.819 58.883 56.100 -0.060 0.000 0.947 10 R CB -1.450 28.824 30.300 -0.043 0.000 0.865 10 R HN 0.372 nan 8.270 nan 0.000 0.437 11 S N -0.720 114.927 115.700 -0.088 0.000 2.382 11 S HA -0.095 4.376 4.470 0.001 0.000 0.228 11 S C 1.802 176.342 174.600 -0.101 0.000 1.027 11 S CA 1.178 59.326 58.200 -0.087 0.000 0.991 11 S CB -0.480 62.665 63.200 -0.092 0.000 0.823 11 S HN 0.381 nan 8.310 nan 0.000 0.469 12 L N 1.690 122.831 121.223 -0.138 0.000 2.046 12 L HA 0.089 4.430 4.340 0.001 0.000 0.208 12 L C 2.237 179.059 176.870 -0.081 0.000 1.077 12 L CA 1.989 56.750 54.840 -0.132 0.000 0.747 12 L CB -0.718 41.225 42.059 -0.192 0.000 0.896 12 L HN 0.399 nan 8.230 nan 0.000 0.432 13 M N -1.095 118.463 119.600 -0.070 0.000 2.549 13 M HA -0.146 4.335 4.480 0.001 0.000 0.260 13 M C 1.400 177.673 176.300 -0.045 0.000 1.076 13 M CA 0.953 56.224 55.300 -0.048 0.000 1.090 13 M CB -0.427 32.148 32.600 -0.043 0.000 1.418 13 M HN 0.283 nan 8.290 nan 0.000 0.486 14 D N 0.704 121.074 120.400 -0.050 0.000 2.183 14 D HA -0.026 4.614 4.640 0.001 0.000 0.205 14 D C 0.450 176.725 176.300 -0.041 0.000 0.962 14 D CA 0.967 54.941 54.000 -0.044 0.000 0.849 14 D CB 0.153 40.927 40.800 -0.045 0.000 0.978 14 D HN 0.190 nan 8.370 nan 0.000 0.488 15 K N 1.161 121.532 120.400 -0.049 0.000 2.243 15 K HA 0.093 4.414 4.320 0.001 0.000 0.232 15 K C 1.092 177.677 176.600 -0.024 0.000 1.237 15 K CA -0.182 56.077 56.287 -0.047 0.000 1.161 15 K CB 0.515 32.968 32.500 -0.079 0.000 1.505 15 K HN -0.149 nan 8.250 nan 0.000 0.271 16 V N 0.415 120.319 119.914 -0.016 0.000 2.407 16 V HA -0.278 3.842 4.120 0.001 0.000 0.248 16 V C 2.207 178.316 176.094 0.025 0.000 1.055 16 V CA 2.306 64.603 62.300 -0.004 0.000 1.049 16 V CB -0.856 30.956 31.823 -0.017 0.000 0.662 16 V HN 0.795 nan 8.190 nan 0.000 0.455 17 T N -1.967 112.604 114.554 0.029 0.000 3.025 17 T HA -0.124 4.227 4.350 0.001 0.000 0.270 17 T C 1.026 175.816 174.700 0.150 0.000 1.126 17 T CA 1.531 63.670 62.100 0.064 0.000 1.105 17 T CB -0.483 68.414 68.868 0.049 0.000 0.884 17 T HN 0.465 nan 8.240 nan 0.000 0.522 18 N N 0.476 119.260 118.700 0.141 0.000 2.389 18 N HA 0.403 5.144 4.740 0.001 0.000 0.260 18 N C -1.256 174.451 175.510 0.328 0.000 1.191 18 N CA -0.202 53.030 53.050 0.303 0.000 0.885 18 N CB 1.183 39.565 38.487 -0.175 0.000 1.162 18 N HN 0.258 nan 8.380 nan 0.000 0.512 19 V N 0.493 120.520 119.914 0.189 0.000 2.769 19 V HA 0.565 4.686 4.120 0.001 0.000 0.312 19 V C -0.307 175.830 176.094 0.073 0.000 1.061 19 V CA -0.861 61.509 62.300 0.117 0.000 0.931 19 V CB 2.378 34.230 31.823 0.048 0.000 1.010 19 V HN 0.060 nan 8.190 nan 0.000 0.433 20 R N 2.921 123.451 120.500 0.050 0.000 2.467 20 R HA 0.415 4.755 4.340 0.001 0.000 0.299 20 R C -1.224 175.085 176.300 0.016 0.000 1.120 20 R CA -0.532 55.575 56.100 0.012 0.000 0.940 20 R CB 1.275 31.563 30.300 -0.021 0.000 1.161 20 R HN 0.644 nan 8.270 nan 0.000 0.506 21 N N 4.357 123.062 118.700 0.009 0.000 2.426 21 N HA 0.444 5.184 4.740 0.001 0.000 0.257 21 N C 0.134 175.657 175.510 0.022 0.000 1.002 21 N CA -0.366 52.694 53.050 0.017 0.000 0.942 21 N CB 1.541 40.026 38.487 -0.004 0.000 1.112 21 N HN 0.398 nan 8.380 nan 0.000 0.499 22 M N -0.823 118.796 119.600 0.032 0.000 3.213 22 M HA 0.628 5.108 4.480 0.001 0.000 0.278 22 M C -0.571 175.749 176.300 0.033 0.000 1.332 22 M CA -1.035 54.281 55.300 0.026 0.000 0.810 22 M CB 1.169 33.773 32.600 0.006 0.000 1.676 22 M HN 0.157 nan 8.290 nan 0.000 0.463 23 S N -0.657 115.055 115.700 0.021 0.000 2.685 23 S HA 0.936 5.407 4.470 0.001 0.000 0.282 23 S C -1.808 172.791 174.600 -0.001 0.000 1.159 23 S CA -0.649 57.561 58.200 0.017 0.000 0.833 23 S CB 1.938 65.156 63.200 0.029 0.000 1.151 23 S HN 0.895 nan 8.310 nan 0.000 0.485 24 V N 3.656 123.566 119.914 -0.007 0.000 2.334 24 V HA 0.460 4.581 4.120 0.001 0.000 0.281 24 V C -0.591 175.496 176.094 -0.013 0.000 1.016 24 V CA -0.725 61.565 62.300 -0.016 0.000 0.832 24 V CB 1.117 32.929 31.823 -0.019 0.000 0.999 24 V HN 0.698 nan 8.190 nan 0.000 0.439 25 I N 4.912 125.473 120.570 -0.015 0.000 2.294 25 I HA 0.694 4.865 4.170 0.001 0.000 0.295 25 I C 0.467 176.583 176.117 -0.001 0.000 1.098 25 I CA 0.240 61.534 61.300 -0.010 0.000 1.277 25 I CB 0.278 38.269 38.000 -0.015 0.000 1.434 25 I HN 0.747 nan 8.210 nan 0.000 0.498 26 A N 4.987 127.810 122.820 0.006 0.000 2.582 26 A HA 0.355 4.675 4.320 0.001 0.000 0.297 26 A C -0.807 176.795 177.584 0.029 0.000 1.059 26 A CA -0.748 51.312 52.037 0.039 0.000 0.705 26 A CB 0.644 19.673 19.000 0.049 0.000 1.279 26 A HN 0.757 nan 8.150 nan 0.000 0.404 27 H N 1.212 120.215 119.070 -0.112 0.000 2.897 27 H HA 0.253 4.810 4.556 0.001 0.000 0.347 27 H C 1.615 176.852 175.328 -0.152 0.000 1.068 27 H CA 0.669 56.582 56.048 -0.225 0.000 1.426 27 H CB 1.138 30.575 29.762 -0.542 0.000 1.410 27 H HN 0.870 nan 8.280 nan 0.000 0.597 28 V N 0.975 120.917 119.914 0.045 0.000 2.469 28 V HA -0.197 3.924 4.120 0.001 0.000 0.251 28 V C 0.991 177.198 176.094 0.189 0.000 1.064 28 V CA 1.956 64.314 62.300 0.098 0.000 1.066 28 V CB -0.144 31.682 31.823 0.005 0.000 0.667 28 V HN 0.772 nan 8.190 nan 0.000 0.461 29 D N -0.593 120.008 120.400 0.335 0.000 2.370 29 D HA 0.133 4.774 4.640 0.001 0.000 0.230 29 D C 0.748 177.129 176.300 0.136 0.000 1.143 29 D CA 0.357 54.418 54.000 0.102 0.000 0.834 29 D CB -0.357 40.433 40.800 -0.017 0.000 0.944 29 D HN 0.716 nan 8.370 nan 0.000 0.504 30 H N -0.929 118.148 119.070 0.012 0.000 2.510 30 H HA 0.270 4.827 4.556 0.001 0.000 0.266 30 H C 0.893 176.210 175.328 -0.018 0.000 1.146 30 H CA -0.378 55.654 56.048 -0.025 0.000 0.993 30 H CB 0.911 30.663 29.762 -0.018 0.000 1.727 30 H HN 0.116 nan 8.280 nan 0.000 0.590 31 G N 2.396 111.259 108.800 0.105 0.000 2.246 31 G HA2 -0.366 3.595 3.960 0.001 0.000 0.273 31 G HA3 -0.366 3.595 3.960 0.001 0.000 0.273 31 G C 1.072 175.993 174.900 0.033 0.000 1.055 31 G CA 0.866 45.993 45.100 0.044 0.000 0.851 31 G HN 0.505 nan 8.290 nan 0.000 0.500 32 K N 0.324 120.754 120.400 0.051 0.000 2.025 32 K HA -0.099 4.222 4.320 0.001 0.000 0.207 32 K C 2.862 179.466 176.600 0.007 0.000 1.049 32 K CA 2.116 58.418 56.287 0.026 0.000 0.933 32 K CB -0.258 32.258 32.500 0.026 0.000 0.714 32 K HN 0.697 nan 8.250 nan 0.000 0.438 33 S N -0.323 115.383 115.700 0.011 0.000 2.371 33 S HA -0.090 4.381 4.470 0.001 0.000 0.224 33 S C 1.999 176.601 174.600 0.004 0.000 1.029 33 S CA 1.453 59.654 58.200 0.002 0.000 0.978 33 S CB -0.672 62.531 63.200 0.005 0.000 0.833 33 S HN 0.317 nan 8.310 nan 0.000 0.466 34 T N 3.541 118.101 114.554 0.010 0.000 2.652 34 T HA 0.001 4.351 4.350 0.001 0.000 0.267 34 T C 1.776 176.476 174.700 0.000 0.000 1.039 34 T CA 1.734 63.840 62.100 0.011 0.000 1.153 34 T CB -0.730 68.147 68.868 0.015 0.000 0.863 34 T HN 0.290 nan 8.240 nan 0.000 0.428 35 L N 1.134 122.349 121.223 -0.013 0.000 2.042 35 L HA -0.164 4.177 4.340 0.001 0.000 0.210 35 L C 3.082 179.941 176.870 -0.019 0.000 1.076 35 L CA 1.769 56.592 54.840 -0.028 0.000 0.749 35 L CB -1.320 40.711 42.059 -0.046 0.000 0.893 35 L HN 0.497 nan 8.230 nan 0.000 0.432 36 T N -3.521 111.025 114.554 -0.014 0.000 2.708 36 T HA -0.194 4.156 4.350 0.001 0.000 0.266 36 T C 1.488 176.186 174.700 -0.003 0.000 1.037 36 T CA 1.344 63.438 62.100 -0.011 0.000 1.146 36 T CB -0.479 68.381 68.868 -0.013 0.000 0.865 36 T HN 0.263 nan 8.240 nan 0.000 0.435 37 D N 1.212 121.612 120.400 0.000 0.000 2.182 37 D HA -0.081 4.559 4.640 0.001 0.000 0.201 37 D C 2.316 178.624 176.300 0.014 0.000 0.986 37 D CA 1.299 55.303 54.000 0.007 0.000 0.847 37 D CB -0.469 40.337 40.800 0.009 0.000 0.942 37 D HN 0.471 nan 8.370 nan 0.000 0.467 38 S N -0.227 115.480 115.700 0.012 0.000 2.402 38 S HA -0.086 4.384 4.470 0.001 0.000 0.229 38 S C 1.866 176.477 174.600 0.018 0.000 1.021 38 S CA 0.380 58.591 58.200 0.018 0.000 0.974 38 S CB 0.009 63.218 63.200 0.014 0.000 0.800 38 S HN 0.055 nan 8.310 nan 0.000 0.484 39 L N 0.729 121.958 121.223 0.011 0.000 2.341 39 L HA 0.161 4.502 4.340 0.001 0.000 0.214 39 L C 2.115 179.003 176.870 0.030 0.000 1.115 39 L CA 0.589 55.439 54.840 0.016 0.000 0.820 39 L CB -0.143 41.919 42.059 0.006 0.000 0.944 39 L HN 0.180 nan 8.230 nan 0.000 0.452 40 V N -1.198 118.733 119.914 0.028 0.000 2.346 40 V HA -0.201 3.919 4.120 0.001 0.000 0.244 40 V C 1.894 178.013 176.094 0.041 0.000 1.037 40 V CA 1.181 63.503 62.300 0.036 0.000 1.029 40 V CB -0.508 31.330 31.823 0.025 0.000 0.663 40 V HN 0.451 nan 8.190 nan 0.000 0.454 41 Q N -0.297 119.524 119.800 0.034 0.000 2.491 41 Q HA -0.082 4.259 4.340 0.001 0.000 0.214 41 Q C 1.935 177.958 176.000 0.038 0.000 0.970 41 Q CA 0.562 56.386 55.803 0.035 0.000 0.960 41 Q CB 0.060 28.817 28.738 0.033 0.000 0.996 41 Q HN 0.448 nan 8.270 nan 0.000 0.524 42 R N -0.232 120.294 120.500 0.043 0.000 2.610 42 R HA 0.212 4.552 4.340 0.001 0.000 0.171 42 R C 0.595 176.934 176.300 0.065 0.000 0.892 42 R CA 1.142 57.270 56.100 0.047 0.000 1.086 42 R CB -0.139 30.184 30.300 0.039 0.000 1.320 42 R HN -0.010 nan 8.270 nan 0.000 0.582 43 A N 0.363 123.229 122.820 0.076 0.000 2.606 43 A HA 0.511 4.832 4.320 0.001 0.000 0.290 43 A C 0.437 178.105 177.584 0.141 0.000 1.174 43 A CA -0.083 52.026 52.037 0.120 0.000 0.958 43 A CB 0.017 19.080 19.000 0.104 0.000 1.194 43 A HN 0.350 nan 8.150 nan 0.000 0.526 44 G N 0.471 109.332 108.800 0.101 0.000 2.398 44 G HA2 0.443 4.403 3.960 0.001 0.000 0.246 44 G HA3 0.443 4.403 3.960 0.001 0.000 0.246 44 G C -0.166 174.804 174.900 0.116 0.000 1.289 44 G CA 0.021 45.182 45.100 0.102 0.000 0.869 44 G HN 0.158 nan 8.290 nan 0.000 0.543 45 I N 2.605 123.265 120.570 0.149 0.000 2.321 45 I HA 0.337 4.507 4.170 0.001 0.000 0.291 45 I C -0.029 176.169 176.117 0.134 0.000 0.998 45 I CA -0.830 60.569 61.300 0.165 0.000 1.227 45 I CB 1.069 39.247 38.000 0.297 0.000 1.368 45 I HN 0.200 nan 8.210 nan 0.000 0.466 46 I N 4.473 125.083 120.570 0.066 0.000 2.707 46 I HA 0.380 4.551 4.170 0.001 0.000 0.309 46 I C 0.670 176.818 176.117 0.052 0.000 1.001 46 I CA -0.443 60.897 61.300 0.067 0.000 1.129 46 I CB 1.506 39.513 38.000 0.012 0.000 1.308 46 I HN 0.577 nan 8.210 nan 0.000 0.466 47 S N 2.513 118.243 115.700 0.049 0.000 2.586 47 S HA 0.838 5.309 4.470 0.001 0.000 0.274 47 S C -0.005 174.589 174.600 -0.011 0.000 1.281 47 S CA -0.736 57.489 58.200 0.042 0.000 1.035 47 S CB 1.309 64.534 63.200 0.042 0.000 0.962 47 S HN 0.855 nan 8.310 nan 0.000 0.512 68 I N 3.511 124.130 120.570 0.082 0.000 2.297 68 I HA 0.356 4.527 4.170 0.001 0.000 0.291 68 I C 0.552 176.732 176.117 0.106 0.000 1.033 68 I CA -0.422 60.929 61.300 0.085 0.000 1.253 68 I CB 0.223 38.309 38.000 0.144 0.000 1.396 68 I HN 0.164 nan 8.210 nan 0.000 0.476 69 T N 5.679 120.262 114.554 0.047 0.000 2.829 69 T HA 0.825 5.175 4.350 0.001 0.000 0.282 69 T C -0.092 174.551 174.700 -0.094 0.000 0.990 69 T CA -0.648 61.471 62.100 0.033 0.000 1.028 69 T CB 1.901 70.789 68.868 0.033 0.000 0.951 69 T HN 0.489 nan 8.240 nan 0.000 0.460 70 I N -0.769 119.725 120.570 -0.126 0.000 3.133 70 I HA 0.627 4.798 4.170 0.001 0.000 0.311 70 I C -0.223 175.773 176.117 -0.201 0.000 1.072 70 I CA -1.585 59.600 61.300 -0.191 0.000 1.015 70 I CB 1.916 39.832 38.000 -0.140 0.000 1.233 70 I HN 0.519 nan 8.210 nan 0.000 0.473 71 K N 2.637 122.913 120.400 -0.207 0.000 2.310 71 K HA 0.134 4.455 4.320 0.001 0.000 0.290 71 K C -0.092 176.395 176.600 -0.189 0.000 1.077 71 K CA 0.056 56.229 56.287 -0.189 0.000 0.922 71 K CB 0.797 33.189 32.500 -0.180 0.000 1.057 71 K HN 0.778 nan 8.250 nan 0.000 0.479 72 S N 3.451 119.034 115.700 -0.195 0.000 2.737 72 S HA -0.052 4.418 4.470 0.001 0.000 0.315 72 S C 0.588 175.065 174.600 -0.205 0.000 1.236 72 S CA 0.396 58.478 58.200 -0.196 0.000 1.093 72 S CB 0.199 63.289 63.200 -0.184 0.000 0.832 72 S HN 0.720 nan 8.310 nan 0.000 0.507 73 T N 4.099 118.502 114.554 -0.250 0.000 3.075 73 T HA 0.514 4.864 4.350 0.001 0.000 0.251 73 T C 0.229 174.727 174.700 -0.337 0.000 0.979 73 T CA 0.498 62.375 62.100 -0.372 0.000 1.033 73 T CB 0.404 68.872 68.868 -0.666 0.000 1.104 73 T HN 0.792 nan 8.240 nan 0.000 0.473 74 A N 0.925 123.608 122.820 -0.229 0.000 2.556 74 A HA 0.776 5.097 4.320 0.001 0.000 0.294 74 A C -1.778 175.800 177.584 -0.011 0.000 1.091 74 A CA -0.619 51.377 52.037 -0.068 0.000 0.704 74 A CB 1.319 20.370 19.000 0.085 0.000 1.300 74 A HN 0.188 nan 8.150 nan 0.000 0.406 75 I N 1.047 121.632 120.570 0.025 0.000 2.582 75 I HA 0.365 4.535 4.170 0.001 0.000 0.292 75 I C -0.161 176.001 176.117 0.075 0.000 1.066 75 I CA -0.315 61.008 61.300 0.039 0.000 1.053 75 I CB 1.872 39.883 38.000 0.020 0.000 1.241 75 I HN 0.555 nan 8.210 nan 0.000 0.421 76 S N 6.241 122.000 115.700 0.099 0.000 2.452 76 S HA 0.593 5.064 4.470 0.001 0.000 0.284 76 S C -0.327 174.361 174.600 0.147 0.000 1.171 76 S CA -0.450 57.825 58.200 0.125 0.000 1.064 76 S CB 0.784 64.070 63.200 0.143 0.000 0.967 76 S HN 0.244 nan 8.310 nan 0.000 0.484 77 L N 3.786 125.097 121.223 0.147 0.000 2.341 77 L HA 0.482 4.822 4.340 0.001 0.000 0.278 77 L C -0.650 176.359 176.870 0.230 0.000 1.005 77 L CA -0.567 54.372 54.840 0.164 0.000 0.818 77 L CB 0.978 43.096 42.059 0.098 0.000 1.259 77 L HN 0.669 nan 8.230 nan 0.000 0.418 78 Y N 2.537 122.932 120.300 0.159 0.000 2.342 78 Y HA 0.721 5.272 4.550 0.001 0.000 0.334 78 Y C -0.176 175.821 175.900 0.162 0.000 1.067 78 Y CA -0.202 58.016 58.100 0.197 0.000 1.128 78 Y CB 1.786 40.459 38.460 0.354 0.000 1.200 78 Y HN 0.589 nan 8.280 nan 0.000 0.464 79 S N 4.757 120.054 115.700 -0.670 0.000 2.536 79 S HA 0.405 4.875 4.470 0.001 0.000 0.271 79 S C -1.771 172.527 174.600 -0.503 0.000 1.134 79 S CA -0.754 57.175 58.200 -0.452 0.000 0.897 79 S CB 1.270 64.395 63.200 -0.125 0.000 1.094 79 S HN 0.847 nan 8.310 nan 0.000 0.473 80 E N 3.533 123.562 120.200 -0.285 0.000 2.277 80 E HA 0.640 4.991 4.350 0.001 0.000 0.266 80 E C -0.930 175.695 176.600 0.042 0.000 0.901 80 E CA -0.719 55.620 56.400 -0.102 0.000 0.782 80 E CB 1.189 30.865 29.700 -0.041 0.000 1.228 80 E HN 0.627 nan 8.360 nan 0.000 0.424 81 M N 0.659 120.321 119.600 0.102 0.000 2.812 81 M HA 0.364 4.844 4.480 0.001 0.000 0.285 81 M C -0.246 176.094 176.300 0.066 0.000 1.216 81 M CA -0.896 54.465 55.300 0.102 0.000 0.749 81 M CB 1.245 33.955 32.600 0.183 0.000 1.756 81 M HN 0.589 nan 8.290 nan 0.000 0.439 82 S N -1.126 114.606 115.700 0.054 0.000 2.638 82 S HA 0.387 4.857 4.470 0.001 0.000 0.298 82 S C -0.113 174.509 174.600 0.037 0.000 1.111 82 S CA -0.601 57.620 58.200 0.036 0.000 1.027 82 S CB 1.214 64.429 63.200 0.025 0.000 1.064 82 S HN 0.601 nan 8.310 nan 0.000 0.525 83 D N 0.774 121.188 120.400 0.024 0.000 2.315 83 D HA -0.086 4.555 4.640 0.001 0.000 0.211 83 D C 1.418 177.732 176.300 0.024 0.000 0.977 83 D CA 1.163 55.176 54.000 0.021 0.000 0.894 83 D CB 0.064 40.871 40.800 0.012 0.000 0.910 83 D HN 0.551 nan 8.370 nan 0.000 0.490 84 E N 0.359 120.572 120.200 0.022 0.000 2.190 84 E HA -0.058 4.293 4.350 0.001 0.000 0.191 84 E C 1.285 177.896 176.600 0.019 0.000 0.978 84 E CA 0.604 57.015 56.400 0.019 0.000 0.839 84 E CB -0.088 29.622 29.700 0.016 0.000 0.787 84 E HN 0.363 nan 8.360 nan 0.000 0.473 85 D N 0.617 121.031 120.400 0.023 0.000 2.194 85 D HA -0.053 4.588 4.640 0.001 0.000 0.204 85 D C 1.955 178.271 176.300 0.027 0.000 0.964 85 D CA 0.451 54.460 54.000 0.015 0.000 0.846 85 D CB 0.210 41.020 40.800 0.015 0.000 0.962 85 D HN -0.016 nan 8.370 nan 0.000 0.490 86 V N 1.146 121.098 119.914 0.063 0.000 2.913 86 V HA -0.123 3.998 4.120 0.001 0.000 0.260 86 V C 2.258 178.385 176.094 0.055 0.000 1.098 86 V CA 1.067 63.426 62.300 0.097 0.000 1.121 86 V CB -0.226 31.660 31.823 0.105 0.000 0.714 86 V HN 0.040 nan 8.190 nan 0.000 0.487 87 K N 0.231 120.650 120.400 0.032 0.000 2.243 87 K HA -0.013 4.308 4.320 0.001 0.000 0.201 87 K C 2.009 178.616 176.600 0.012 0.000 1.051 87 K CA 0.744 57.044 56.287 0.022 0.000 0.970 87 K CB -0.030 32.480 32.500 0.018 0.000 0.755 87 K HN 0.581 nan 8.250 nan 0.000 0.465 88 E N 0.494 120.695 120.200 0.002 0.000 2.150 88 E HA -0.054 4.297 4.350 0.001 0.000 0.193 88 E C 0.275 176.860 176.600 -0.024 0.000 0.985 88 E CA 0.314 56.708 56.400 -0.010 0.000 0.814 88 E CB -0.044 29.643 29.700 -0.023 0.000 0.752 88 E HN 0.239 nan 8.360 nan 0.000 0.466 89 I N 3.289 123.836 120.570 -0.038 0.000 2.494 89 I HA -0.050 4.121 4.170 0.001 0.000 0.289 89 I C 1.235 177.347 176.117 -0.009 0.000 1.106 89 I CA 0.114 61.383 61.300 -0.052 0.000 1.369 89 I CB 0.443 38.401 38.000 -0.070 0.000 1.410 89 I HN 0.022 nan 8.210 nan 0.000 0.523 90 K N 5.537 125.939 120.400 0.003 0.000 2.687 90 K HA -0.085 4.235 4.320 0.001 0.000 0.197 90 K C 0.384 176.998 176.600 0.022 0.000 1.018 90 K CA 0.407 56.705 56.287 0.019 0.000 1.035 90 K CB -0.022 32.495 32.500 0.029 0.000 0.834 90 K HN 0.697 nan 8.250 nan 0.000 0.496 91 Q N 1.855 121.666 119.800 0.018 0.000 2.353 91 Q HA 0.163 4.503 4.340 0.001 0.000 0.268 91 Q C -1.250 174.771 176.000 0.035 0.000 1.045 91 Q CA -0.937 54.883 55.803 0.027 0.000 0.811 91 Q CB 1.660 30.411 28.738 0.021 0.000 1.305 91 Q HN 0.150 nan 8.270 nan 0.000 0.447 92 K N 2.813 123.235 120.400 0.037 0.000 2.437 92 K HA 0.029 4.350 4.320 0.001 0.000 0.277 92 K C -0.819 175.813 176.600 0.054 0.000 1.073 92 K CA 0.805 57.115 56.287 0.038 0.000 1.105 92 K CB 0.110 32.628 32.500 0.030 0.000 0.881 92 K HN 0.732 nan 8.250 nan 0.000 0.475 93 T N 0.842 115.434 114.554 0.063 0.000 2.858 93 T HA 0.424 4.774 4.350 0.001 0.000 0.285 93 T C -1.089 173.634 174.700 0.039 0.000 1.052 93 T CA -1.005 61.151 62.100 0.092 0.000 1.009 93 T CB 1.670 70.649 68.868 0.185 0.000 1.241 93 T HN 0.560 nan 8.240 nan 0.000 0.542 94 D N -1.303 119.098 120.400 0.001 0.000 2.333 94 D HA 0.502 5.143 4.640 0.001 0.000 0.225 94 D C -0.010 176.215 176.300 -0.124 0.000 1.345 94 D CA 0.870 54.843 54.000 -0.045 0.000 0.971 94 D CB 0.480 41.258 40.800 -0.036 0.000 1.451 94 D HN 1.227 nan 8.370 nan 0.000 0.561 95 G N 2.584 111.308 108.800 -0.128 0.000 2.434 95 G HA2 -0.110 3.850 3.960 0.001 0.000 0.671 95 G HA3 -0.110 3.850 3.960 0.001 0.000 0.671 95 G C -0.092 174.648 174.900 -0.266 0.000 1.280 95 G CA -0.265 44.724 45.100 -0.186 0.000 0.975 95 G HN 0.434 nan 8.290 nan 0.000 0.510 96 N N -0.581 117.953 118.700 -0.277 0.000 2.257 96 N HA 0.154 4.894 4.740 0.001 0.000 0.200 96 N C 0.576 175.842 175.510 -0.406 0.000 1.163 96 N CA 0.594 53.498 53.050 -0.244 0.000 0.891 96 N CB 0.816 39.263 38.487 -0.067 0.000 1.067 96 N HN 0.501 nan 8.380 nan 0.000 0.497 97 S N 0.862 116.302 115.700 -0.434 0.000 2.565 97 S HA 0.491 4.962 4.470 0.001 0.000 0.274 97 S C -0.625 173.577 174.600 -0.664 0.000 1.309 97 S CA -0.103 57.901 58.200 -0.326 0.000 1.043 97 S CB 0.562 63.805 63.200 0.072 0.000 0.939 97 S HN 0.045 nan 8.310 nan 0.000 0.504 98 F N 1.410 121.246 119.950 -0.189 0.000 2.561 98 F HA 0.437 4.964 4.527 0.001 0.000 0.313 98 F C -0.580 175.185 175.800 -0.058 0.000 1.126 98 F CA -0.934 56.999 58.000 -0.112 0.000 0.918 98 F CB 1.391 40.311 39.000 -0.133 0.000 1.199 98 F HN 0.322 nan 8.300 nan 0.000 0.444 99 L N 5.368 126.705 121.223 0.189 0.000 2.257 99 L HA 0.600 4.940 4.340 0.001 0.000 0.290 99 L C -0.838 176.104 176.870 0.120 0.000 1.044 99 L CA -0.219 54.710 54.840 0.149 0.000 0.810 99 L CB 0.309 42.423 42.059 0.090 0.000 1.193 99 L HN 0.455 nan 8.230 nan 0.000 0.425 100 I N 4.924 125.560 120.570 0.109 0.000 2.328 100 I HA 0.289 4.460 4.170 0.001 0.000 0.287 100 I C -0.415 175.747 176.117 0.075 0.000 1.012 100 I CA -0.503 60.840 61.300 0.072 0.000 1.195 100 I CB 0.956 38.986 38.000 0.049 0.000 1.350 100 I HN 0.587 nan 8.210 nan 0.000 0.464 101 N N 6.378 125.118 118.700 0.065 0.000 2.437 101 N HA 0.251 4.992 4.740 0.001 0.000 0.243 101 N C -0.644 174.908 175.510 0.071 0.000 1.041 101 N CA -0.458 52.639 53.050 0.079 0.000 0.940 101 N CB 0.935 39.470 38.487 0.081 0.000 1.133 101 N HN 0.401 nan 8.380 nan 0.000 0.506 102 L N 4.498 125.759 121.223 0.063 0.000 2.356 102 L HA 0.406 4.746 4.340 0.001 0.000 0.282 102 L C -1.059 175.835 176.870 0.040 0.000 1.132 102 L CA -0.517 54.348 54.840 0.041 0.000 0.923 102 L CB -0.357 41.717 42.059 0.025 0.000 1.278 102 L HN 0.389 nan 8.230 nan 0.000 0.436 103 I N 4.129 124.736 120.570 0.061 0.000 2.347 103 I HA 0.118 4.288 4.170 0.001 0.000 0.294 103 I C 0.641 176.758 176.117 0.000 0.000 1.090 103 I CA -0.070 61.265 61.300 0.059 0.000 1.314 103 I CB 0.128 38.223 38.000 0.158 0.000 1.423 103 I HN 0.554 nan 8.210 nan 0.000 0.503 104 D N 4.251 124.615 120.400 -0.061 0.000 2.515 104 D HA 0.025 4.666 4.640 0.001 0.000 0.230 104 D C -0.408 175.857 176.300 -0.058 0.000 1.181 104 D CA 1.001 54.955 54.000 -0.077 0.000 0.875 104 D CB 0.628 41.351 40.800 -0.129 0.000 1.213 104 D HN 0.505 nan 8.370 nan 0.000 0.478 105 S N 1.236 116.900 115.700 -0.061 0.000 2.569 105 S HA 0.570 5.041 4.470 0.001 0.000 0.280 105 S C -2.413 172.130 174.600 -0.095 0.000 1.111 105 S CA -1.034 57.135 58.200 -0.052 0.000 0.887 105 S CB 1.898 65.085 63.200 -0.022 0.000 1.095 105 S HN 0.398 nan 8.310 nan 0.000 0.476 106 P HA 0.271 nan 4.420 nan 0.000 0.274 106 P C 0.764 177.994 177.300 -0.115 0.000 1.264 106 P CA -0.232 62.730 63.100 -0.231 0.000 0.795 106 P CB 0.263 31.790 31.700 -0.288 0.000 1.064 107 G N -1.850 106.900 108.800 -0.085 0.000 2.662 107 G HA2 0.002 3.963 3.960 0.001 0.000 0.207 107 G HA3 0.002 3.963 3.960 0.001 0.000 0.207 107 G C -0.141 174.803 174.900 0.074 0.000 1.154 107 G CA 0.510 45.625 45.100 0.025 0.000 0.837 107 G HN 0.471 nan 8.290 nan 0.000 0.580 108 H N -0.777 118.411 119.070 0.196 0.000 2.481 108 H HA 0.434 4.991 4.556 0.001 0.000 0.339 108 H C 1.061 176.547 175.328 0.264 0.000 1.131 108 H CA -0.502 55.670 56.048 0.207 0.000 1.301 108 H CB 2.266 32.171 29.762 0.238 0.000 1.476 108 H HN -0.108 nan 8.280 nan 0.000 0.529 109 V N 1.458 121.471 119.914 0.166 0.000 3.461 109 V HA -0.114 4.006 4.120 0.001 0.000 0.267 109 V C 0.930 177.092 176.094 0.113 0.000 1.186 109 V CA 0.988 63.364 62.300 0.127 0.000 1.154 109 V CB -0.261 31.584 31.823 0.036 0.000 0.802 109 V HN 0.773 nan 8.190 nan 0.000 0.474 110 D N 0.464 120.899 120.400 0.058 0.000 2.350 110 D HA -0.113 4.528 4.640 0.001 0.000 0.216 110 D C 1.440 177.624 176.300 -0.193 0.000 0.968 110 D CA 1.017 54.948 54.000 -0.115 0.000 0.894 110 D CB -0.122 40.543 40.800 -0.226 0.000 0.909 110 D HN 0.480 nan 8.370 nan 0.000 0.520 111 F N 1.401 121.386 119.950 0.057 0.000 2.795 111 F HA -0.012 4.515 4.527 0.001 0.000 0.303 111 F C 1.964 177.806 175.800 0.071 0.000 1.186 111 F CA -0.179 57.862 58.000 0.068 0.000 1.415 111 F CB -0.376 38.670 39.000 0.077 0.000 1.106 111 F HN -0.202 nan 8.300 nan 0.000 0.558 112 S N 0.514 116.302 115.700 0.146 0.000 2.456 112 S HA -0.448 4.023 4.470 0.001 0.000 0.359 112 S C 2.308 176.985 174.600 0.128 0.000 1.227 112 S CA 2.586 60.846 58.200 0.099 0.000 1.598 112 S CB -1.389 61.801 63.200 -0.017 0.000 1.444 112 S HN 0.645 nan 8.310 nan 0.000 0.483 113 S N 2.958 118.716 115.700 0.097 0.000 2.377 113 S HA -0.314 4.156 4.470 0.001 0.000 0.224 113 S C 1.832 176.577 174.600 0.242 0.000 1.042 113 S CA 1.903 60.152 58.200 0.082 0.000 1.086 113 S CB -1.052 62.172 63.200 0.041 0.000 0.995 113 S HN 0.891 nan 8.310 nan 0.000 0.428 114 E N 1.283 121.706 120.200 0.372 0.000 2.338 114 E HA -0.047 4.304 4.350 0.001 0.000 0.197 114 E C 1.794 178.530 176.600 0.226 0.000 1.007 114 E CA 0.962 57.568 56.400 0.344 0.000 0.849 114 E CB -0.469 29.392 29.700 0.268 0.000 0.774 114 E HN 0.481 nan 8.360 nan 0.000 0.506 115 V N 1.577 121.614 119.914 0.206 0.000 2.283 115 V HA -0.216 3.904 4.120 0.001 0.000 0.243 115 V C 2.296 178.477 176.094 0.144 0.000 1.039 115 V CA 2.201 64.594 62.300 0.154 0.000 1.016 115 V CB -0.723 31.193 31.823 0.155 0.000 0.650 115 V HN 0.400 nan 8.190 nan 0.000 0.449 116 T N 0.375 115.024 114.554 0.157 0.000 2.929 116 T HA -0.066 4.285 4.350 0.001 0.000 0.271 116 T C 1.952 176.748 174.700 0.160 0.000 1.085 116 T CA 1.211 63.395 62.100 0.140 0.000 1.125 116 T CB -0.326 68.629 68.868 0.145 0.000 0.874 116 T HN 0.543 nan 8.240 nan 0.000 0.494 117 A N 2.003 124.950 122.820 0.213 0.000 1.828 117 A HA 0.185 4.506 4.320 0.001 0.000 0.215 117 A C 2.730 180.462 177.584 0.248 0.000 1.203 117 A CA 1.691 53.897 52.037 0.281 0.000 0.614 117 A CB -1.405 17.805 19.000 0.350 0.000 0.844 117 A HN 0.488 nan 8.150 nan 0.000 0.445 118 A N -0.547 122.395 122.820 0.205 0.000 1.986 118 A HA -0.103 4.218 4.320 0.001 0.000 0.220 118 A C 2.173 179.845 177.584 0.147 0.000 1.171 118 A CA 1.694 53.839 52.037 0.179 0.000 0.640 118 A CB -0.664 18.403 19.000 0.112 0.000 0.811 118 A HN 0.506 nan 8.150 nan 0.000 0.451 119 L N -1.710 119.585 121.223 0.120 0.000 2.072 119 L HA -0.098 4.243 4.340 0.001 0.000 0.205 119 L C 2.725 179.643 176.870 0.080 0.000 1.079 119 L CA 1.561 56.451 54.840 0.083 0.000 0.752 119 L CB -0.436 41.659 42.059 0.060 0.000 0.906 119 L HN 0.386 nan 8.230 nan 0.000 0.436 120 R N 0.254 120.807 120.500 0.088 0.000 2.193 120 R HA -0.123 4.217 4.340 0.001 0.000 0.229 120 R C 1.901 178.246 176.300 0.076 0.000 1.110 120 R CA 1.334 57.461 56.100 0.045 0.000 0.988 120 R CB 0.029 30.330 30.300 0.000 0.000 0.871 120 R HN 0.427 nan 8.270 nan 0.000 0.458 121 V N -2.690 117.297 119.914 0.123 0.000 3.590 121 V HA 0.152 4.273 4.120 0.001 0.000 0.265 121 V C 0.815 176.948 176.094 0.066 0.000 1.239 121 V CA 0.414 62.783 62.300 0.115 0.000 1.117 121 V CB -0.062 31.845 31.823 0.139 0.000 0.818 121 V HN 0.257 nan 8.190 nan 0.000 0.451 122 T N -2.589 112.011 114.554 0.077 0.000 2.912 122 T HA 0.484 4.835 4.350 0.001 0.000 0.280 122 T C 0.239 174.965 174.700 0.043 0.000 0.989 122 T CA 0.023 62.154 62.100 0.052 0.000 0.995 122 T CB 2.037 70.939 68.868 0.058 0.000 1.077 122 T HN 0.207 nan 8.240 nan 0.000 0.531 123 D N 0.119 120.537 120.400 0.030 0.000 2.514 123 D HA 0.245 4.886 4.640 0.001 0.000 0.249 123 D C 1.083 177.404 176.300 0.035 0.000 1.036 123 D CA 0.336 54.356 54.000 0.033 0.000 0.911 123 D CB 0.069 40.880 40.800 0.017 0.000 1.145 123 D HN 0.774 nan 8.370 nan 0.000 0.495 124 G N -0.260 108.552 108.800 0.020 0.000 2.644 124 G HA2 0.676 4.637 3.960 0.001 0.000 0.307 124 G HA3 0.676 4.637 3.960 0.001 0.000 0.307 124 G C -1.342 173.559 174.900 0.001 0.000 1.250 124 G CA -0.412 44.692 45.100 0.007 0.000 0.996 124 G HN 0.203 nan 8.290 nan 0.000 0.489 125 A N -0.512 122.299 122.820 -0.015 0.000 2.513 125 A HA 0.551 4.872 4.320 0.001 0.000 0.296 125 A C -1.622 175.937 177.584 -0.042 0.000 1.052 125 A CA -0.523 51.501 52.037 -0.021 0.000 0.714 125 A CB 1.754 20.743 19.000 -0.018 0.000 1.279 125 A HN 1.265 nan 8.150 nan 0.000 0.397 126 L N 3.645 124.842 121.223 -0.044 0.000 2.287 126 L HA 0.521 4.861 4.340 0.001 0.000 0.280 126 L C -0.625 176.206 176.870 -0.065 0.000 1.055 126 L CA -0.190 54.611 54.840 -0.065 0.000 0.863 126 L CB 0.851 42.873 42.059 -0.063 0.000 1.245 126 L HN 0.434 nan 8.230 nan 0.000 0.432 127 V N 6.104 125.971 119.914 -0.078 0.000 2.397 127 V HA 0.104 4.225 4.120 0.001 0.000 0.262 127 V C 0.378 176.426 176.094 -0.077 0.000 1.047 127 V CA -0.402 61.859 62.300 -0.065 0.000 1.003 127 V CB 0.711 32.493 31.823 -0.068 0.000 1.037 127 V HN 0.441 nan 8.190 nan 0.000 0.480 128 V N 7.151 127.040 119.914 -0.043 0.000 2.299 128 V HA 0.191 4.312 4.120 0.001 0.000 0.255 128 V C 0.350 176.453 176.094 0.016 0.000 1.100 128 V CA -0.112 62.164 62.300 -0.041 0.000 0.938 128 V CB 0.811 32.625 31.823 -0.016 0.000 1.139 128 V HN 0.641 nan 8.190 nan 0.000 0.490 129 V N 3.410 123.299 119.914 -0.041 0.000 2.997 129 V HA 0.391 4.511 4.120 0.001 0.000 0.311 129 V C 0.058 176.069 176.094 -0.137 0.000 1.066 129 V CA -0.654 61.633 62.300 -0.021 0.000 1.039 129 V CB 2.079 33.880 31.823 -0.037 0.000 1.081 129 V HN 0.825 nan 8.190 nan 0.000 0.467 130 D N 0.198 120.450 120.400 -0.248 0.000 2.229 130 D HA 0.332 4.973 4.640 0.001 0.000 0.249 130 D C 0.920 177.150 176.300 -0.115 0.000 1.027 130 D CA -0.137 53.640 54.000 -0.373 0.000 0.923 130 D CB 2.067 42.386 40.800 -0.801 0.000 1.174 130 D HN 0.534 nan 8.370 nan 0.000 0.443 131 T N 1.781 116.311 114.554 -0.040 0.000 2.732 131 T HA -0.056 4.295 4.350 0.001 0.000 0.261 131 T C 1.716 176.459 174.700 0.070 0.000 1.040 131 T CA 0.921 63.096 62.100 0.126 0.000 1.145 131 T CB -0.154 68.839 68.868 0.208 0.000 0.866 131 T HN 0.351 nan 8.240 nan 0.000 0.427 132 I N 1.199 121.777 120.570 0.013 0.000 2.162 132 I HA -0.020 4.150 4.170 0.001 0.000 0.238 132 I C 2.372 178.492 176.117 0.005 0.000 1.076 132 I CA 1.405 62.711 61.300 0.011 0.000 1.353 132 I CB -0.483 37.521 38.000 0.006 0.000 1.063 132 I HN 0.240 nan 8.210 nan 0.000 0.408 133 E N 0.411 120.599 120.200 -0.020 0.000 2.285 133 E HA 0.171 4.521 4.350 0.001 0.000 0.194 133 E C 1.417 178.032 176.600 0.025 0.000 0.997 133 E CA 0.560 56.966 56.400 0.011 0.000 0.845 133 E CB -0.101 29.623 29.700 0.041 0.000 0.782 133 E HN 0.506 nan 8.360 nan 0.000 0.491 134 G N 0.979 109.780 108.800 0.003 0.000 2.528 134 G HA2 -0.321 3.640 3.960 0.001 0.000 0.262 134 G HA3 -0.321 3.640 3.960 0.001 0.000 0.262 134 G C -0.030 174.901 174.900 0.052 0.000 1.200 134 G CA -0.219 44.898 45.100 0.029 0.000 0.951 134 G HN 0.127 nan 8.290 nan 0.000 0.566 135 V N 1.812 121.761 119.914 0.060 0.000 2.405 135 V HA 0.392 4.512 4.120 0.001 0.000 0.264 135 V C 1.592 177.739 176.094 0.089 0.000 1.048 135 V CA -0.194 62.151 62.300 0.074 0.000 0.966 135 V CB -0.493 31.359 31.823 0.049 0.000 1.015 135 V HN 1.315 nan 8.190 nan 0.000 0.477 136 C N 4.409 123.785 119.300 0.127 0.000 2.580 136 C HA 0.469 4.930 4.460 0.001 0.000 0.371 136 C C 1.929 176.960 174.990 0.068 0.000 1.308 136 C CA -0.487 58.591 59.018 0.101 0.000 2.428 136 C CB 0.360 28.162 27.740 0.105 0.000 2.529 136 C HN 0.619 nan 8.230 nan 0.000 0.657 137 V N 1.400 121.346 119.914 0.053 0.000 2.287 137 V HA -0.264 3.856 4.120 0.001 0.000 0.248 137 V C 2.797 178.906 176.094 0.025 0.000 1.053 137 V CA 2.604 64.926 62.300 0.036 0.000 1.027 137 V CB -1.427 30.413 31.823 0.029 0.000 0.646 137 V HN 1.058 nan 8.190 nan 0.000 0.447 138 Q N 0.297 120.113 119.800 0.027 0.000 2.002 138 Q HA -0.244 4.096 4.340 0.001 0.000 0.204 138 Q C 2.207 178.208 176.000 0.002 0.000 0.988 138 Q CA 2.746 58.550 55.803 0.002 0.000 0.843 138 Q CB -0.419 28.302 28.738 -0.029 0.000 0.908 138 Q HN 0.613 nan 8.270 nan 0.000 0.420 139 T N 0.752 115.318 114.554 0.021 0.000 2.881 139 T HA -0.161 4.189 4.350 0.001 0.000 0.270 139 T C 1.459 176.165 174.700 0.010 0.000 1.068 139 T CA 1.377 63.489 62.100 0.021 0.000 1.131 139 T CB -0.159 68.742 68.868 0.055 0.000 0.871 139 T HN 0.435 nan 8.240 nan 0.000 0.479 140 E N 0.409 120.618 120.200 0.016 0.000 2.107 140 E HA -0.112 4.239 4.350 0.001 0.000 0.191 140 E C 2.049 178.629 176.600 -0.034 0.000 0.982 140 E CA 1.057 57.462 56.400 0.010 0.000 0.809 140 E CB 0.055 29.773 29.700 0.031 0.000 0.756 140 E HN 0.386 nan 8.360 nan 0.000 0.459 141 T N 0.712 115.244 114.554 -0.036 0.000 2.668 141 T HA -0.132 4.218 4.350 0.001 0.000 0.262 141 T C 1.990 176.644 174.700 -0.078 0.000 1.045 141 T CA 1.510 63.572 62.100 -0.064 0.000 1.152 141 T CB -0.371 68.488 68.868 -0.015 0.000 0.864 141 T HN 0.021 nan 8.240 nan 0.000 0.419 142 V N 1.813 121.707 119.914 -0.034 0.000 2.317 142 V HA -0.188 3.932 4.120 0.001 0.000 0.251 142 V C 2.446 178.504 176.094 -0.060 0.000 1.065 142 V CA 1.572 63.856 62.300 -0.027 0.000 1.049 142 V CB -0.838 30.980 31.823 -0.007 0.000 0.651 142 V HN 0.297 nan 8.190 nan 0.000 0.450 143 L N 0.002 121.189 121.223 -0.059 0.000 2.017 143 L HA -0.144 4.197 4.340 0.001 0.000 0.208 143 L C 2.584 179.392 176.870 -0.105 0.000 1.073 143 L CA 1.910 56.716 54.840 -0.057 0.000 0.745 143 L CB -0.719 41.325 42.059 -0.024 0.000 0.894 143 L HN 0.157 nan 8.230 nan 0.000 0.432 144 R N -1.104 119.275 120.500 -0.201 0.000 2.133 144 R HA -0.217 4.123 4.340 0.001 0.000 0.247 144 R C 2.256 178.365 176.300 -0.319 0.000 1.151 144 R CA 1.597 57.466 56.100 -0.385 0.000 0.971 144 R CB -0.227 29.675 30.300 -0.665 0.000 0.866 144 R HN 0.505 nan 8.270 nan 0.000 0.447 145 Q N -0.174 119.455 119.800 -0.284 0.000 1.965 145 Q HA -0.088 4.253 4.340 0.001 0.000 0.200 145 Q C 2.224 178.135 176.000 -0.148 0.000 0.981 145 Q CA 1.804 57.445 55.803 -0.271 0.000 0.834 145 Q CB -0.675 27.963 28.738 -0.168 0.000 0.900 145 Q HN 0.335 nan 8.270 nan 0.000 0.426 146 A N 1.155 123.924 122.820 -0.085 0.000 1.927 146 A HA -0.213 4.107 4.320 0.001 0.000 0.220 146 A C 2.295 179.854 177.584 -0.041 0.000 1.185 146 A CA 1.692 53.703 52.037 -0.042 0.000 0.639 146 A CB -0.958 18.025 19.000 -0.028 0.000 0.820 146 A HN 0.367 nan 8.150 nan 0.000 0.451 147 L N -1.042 120.148 121.223 -0.054 0.000 2.083 147 L HA -0.122 4.218 4.340 0.001 0.000 0.209 147 L C 2.802 179.648 176.870 -0.040 0.000 1.083 147 L CA 1.037 55.859 54.840 -0.029 0.000 0.752 147 L CB -0.851 41.215 42.059 0.013 0.000 0.899 147 L HN 0.501 nan 8.230 nan 0.000 0.433 148 G N -0.640 108.103 108.800 -0.096 0.000 2.422 148 G HA2 -0.179 3.782 3.960 0.001 0.000 0.218 148 G HA3 -0.179 3.782 3.960 0.001 0.000 0.218 148 G C 1.406 176.275 174.900 -0.051 0.000 1.140 148 G CA 0.244 45.284 45.100 -0.100 0.000 0.775 148 G HN 0.253 nan 8.290 nan 0.000 0.545 149 E N 0.147 120.324 120.200 -0.039 0.000 2.502 149 E HA 0.072 4.423 4.350 0.001 0.000 0.194 149 E C 0.637 177.264 176.600 0.045 0.000 1.062 149 E CA -0.158 56.242 56.400 -0.001 0.000 0.867 149 E CB 0.053 29.754 29.700 0.001 0.000 0.888 149 E HN 0.408 nan 8.360 nan 0.000 0.510 150 R N 0.126 120.654 120.500 0.048 0.000 3.322 150 R HA -0.150 4.191 4.340 0.001 0.000 0.266 150 R C -0.494 175.880 176.300 0.124 0.000 1.072 150 R CA 0.270 56.433 56.100 0.105 0.000 0.715 150 R CB -2.266 28.181 30.300 0.246 0.000 1.199 150 R HN 0.139 nan 8.270 nan 0.000 0.421 151 I N 1.115 121.720 120.570 0.058 0.000 2.321 151 I HA 0.143 4.314 4.170 0.001 0.000 0.291 151 I C 0.654 176.783 176.117 0.020 0.000 0.998 151 I CA -0.951 60.377 61.300 0.047 0.000 1.227 151 I CB 1.384 39.398 38.000 0.023 0.000 1.368 151 I HN -0.029 nan 8.210 nan 0.000 0.466 152 K N 9.723 130.139 120.400 0.025 0.000 2.451 152 K HA 0.190 4.510 4.320 0.001 0.000 0.280 152 K C -2.410 174.167 176.600 -0.038 0.000 1.020 152 K CA -0.762 55.519 56.287 -0.010 0.000 1.008 152 K CB 0.475 32.977 32.500 0.004 0.000 0.917 152 K HN 0.209 nan 8.250 nan 0.000 0.478 153 P HA 0.219 nan 4.420 nan 0.000 0.290 153 P C -1.215 176.009 177.300 -0.126 0.000 1.275 153 P CA -0.669 62.378 63.100 -0.088 0.000 0.841 153 P CB 1.564 33.208 31.700 -0.094 0.000 1.042 154 V N 3.258 123.097 119.914 -0.125 0.000 2.482 154 V HA 0.189 4.309 4.120 0.001 0.000 0.295 154 V C 0.222 176.207 176.094 -0.182 0.000 1.026 154 V CA -0.727 61.477 62.300 -0.160 0.000 0.856 154 V CB 2.145 33.898 31.823 -0.117 0.000 1.001 154 V HN 0.283 nan 8.190 nan 0.000 0.424 155 V N 5.624 125.393 119.914 -0.242 0.000 2.644 155 V HA 0.556 4.677 4.120 0.001 0.000 0.295 155 V C -0.169 175.715 176.094 -0.349 0.000 1.053 155 V CA -0.404 61.736 62.300 -0.268 0.000 0.987 155 V CB 1.892 33.543 31.823 -0.286 0.000 1.006 155 V HN 0.572 nan 8.190 nan 0.000 0.472 156 V N 5.591 125.310 119.914 -0.325 0.000 2.498 156 V HA 0.371 4.492 4.120 0.001 0.000 0.283 156 V C -0.345 175.540 176.094 -0.348 0.000 1.015 156 V CA -0.249 61.822 62.300 -0.382 0.000 0.867 156 V CB 1.594 33.253 31.823 -0.273 0.000 1.025 156 V HN 0.691 nan 8.190 nan 0.000 0.441 157 I N 4.330 124.628 120.570 -0.454 0.000 2.347 157 I HA 0.234 4.404 4.170 0.001 0.000 0.294 157 I C 0.474 176.428 176.117 -0.271 0.000 1.090 157 I CA 0.224 61.348 61.300 -0.293 0.000 1.314 157 I CB 0.503 38.357 38.000 -0.243 0.000 1.423 157 I HN 0.594 nan 8.210 nan 0.000 0.503 158 N N 5.383 123.951 118.700 -0.220 0.000 2.476 158 N HA 0.268 5.009 4.740 0.001 0.000 0.275 158 N C -0.476 174.926 175.510 -0.181 0.000 1.190 158 N CA -0.428 52.487 53.050 -0.225 0.000 0.977 158 N CB 0.701 39.080 38.487 -0.180 0.000 1.200 158 N HN 0.362 nan 8.380 nan 0.000 0.515 159 K N -0.012 120.272 120.400 -0.193 0.000 3.181 159 K HA -0.128 4.193 4.320 0.001 0.000 0.269 159 K C 0.113 176.683 176.600 -0.050 0.000 1.097 159 K CA 0.144 56.354 56.287 -0.130 0.000 0.783 159 K CB -1.972 30.463 32.500 -0.108 0.000 1.267 159 K HN 0.257 nan 8.250 nan 0.000 0.484 160 V N -0.052 119.832 119.914 -0.049 0.000 2.871 160 V HA -0.202 3.919 4.120 0.001 0.000 0.256 160 V C 2.232 178.465 176.094 0.231 0.000 1.082 160 V CA 2.166 64.565 62.300 0.166 0.000 1.105 160 V CB -0.289 31.700 31.823 0.276 0.000 0.713 160 V HN 0.634 nan 8.190 nan 0.000 0.473 161 D N 0.933 121.436 120.400 0.172 0.000 2.144 161 D HA -0.287 4.353 4.640 0.001 0.000 0.199 161 D C 2.166 178.561 176.300 0.158 0.000 0.984 161 D CA 1.480 55.620 54.000 0.233 0.000 0.834 161 D CB -0.392 40.325 40.800 -0.137 0.000 0.955 161 D HN 0.334 nan 8.370 nan 0.000 0.465 162 R N -0.020 120.529 120.500 0.082 0.000 2.152 162 R HA -0.066 4.275 4.340 0.001 0.000 0.232 162 R C 2.033 178.383 176.300 0.083 0.000 1.117 162 R CA 1.250 57.392 56.100 0.071 0.000 0.981 162 R CB -0.272 30.048 30.300 0.035 0.000 0.870 162 R HN 0.324 nan 8.270 nan 0.000 0.451 163 A N 0.557 123.439 122.820 0.104 0.000 1.970 163 A HA 0.007 4.328 4.320 0.001 0.000 0.216 163 A C 1.981 179.620 177.584 0.091 0.000 1.170 163 A CA 0.669 52.766 52.037 0.099 0.000 0.645 163 A CB -0.121 18.955 19.000 0.127 0.000 0.816 163 A HN 0.274 nan 8.150 nan 0.000 0.447 164 L N -1.267 120.012 121.223 0.095 0.000 2.056 164 L HA -0.018 4.322 4.340 0.001 0.000 0.202 164 L C 2.292 179.203 176.870 0.069 0.000 1.086 164 L CA 0.392 55.249 54.840 0.029 0.000 0.758 164 L CB -0.933 41.105 42.059 -0.035 0.000 0.912 164 L HN 0.203 nan 8.230 nan 0.000 0.446 165 L N 0.173 121.474 121.223 0.130 0.000 2.051 165 L HA -0.235 4.105 4.340 0.001 0.000 0.214 165 L C 2.451 179.363 176.870 0.070 0.000 1.076 165 L CA 1.778 56.680 54.840 0.104 0.000 0.758 165 L CB -0.831 41.307 42.059 0.131 0.000 0.890 165 L HN 0.285 nan 8.230 nan 0.000 0.433 166 E N -0.889 119.353 120.200 0.071 0.000 2.013 166 E HA -0.103 4.248 4.350 0.001 0.000 0.194 166 E C 2.037 178.666 176.600 0.048 0.000 0.973 166 E CA 0.610 57.043 56.400 0.055 0.000 0.842 166 E CB -0.278 29.454 29.700 0.053 0.000 0.801 166 E HN 0.177 nan 8.360 nan 0.000 0.476 167 L N 1.015 122.268 121.223 0.050 0.000 2.265 167 L HA -0.134 4.206 4.340 0.001 0.000 0.215 167 L C 0.654 177.555 176.870 0.051 0.000 1.117 167 L CA 1.176 56.044 54.840 0.048 0.000 0.782 167 L CB -0.698 41.390 42.059 0.048 0.000 0.914 167 L HN 0.230 nan 8.230 nan 0.000 0.441 168 Q N -0.914 118.917 119.800 0.053 0.000 2.468 168 Q HA -0.197 4.143 4.340 0.001 0.000 0.289 168 Q C 0.000 176.053 176.000 0.088 0.000 1.299 168 Q CA 0.269 56.103 55.803 0.053 0.000 0.838 168 Q CB -1.882 26.884 28.738 0.046 0.000 1.195 168 Q HN 0.304 nan 8.270 nan 0.000 0.456 169 V N 1.163 121.142 119.914 0.110 0.000 2.843 169 V HA 0.226 4.346 4.120 0.001 0.000 0.305 169 V C 0.960 177.218 176.094 0.273 0.000 1.065 169 V CA 0.741 63.129 62.300 0.146 0.000 1.116 169 V CB 1.540 33.436 31.823 0.122 0.000 0.968 169 V HN 0.536 nan 8.190 nan 0.000 0.487 170 S N 5.512 121.320 115.700 0.180 0.000 2.634 170 S HA 0.300 4.771 4.470 0.001 0.000 0.261 170 S C 0.917 175.511 174.600 -0.010 0.000 1.271 170 S CA -0.192 58.090 58.200 0.136 0.000 0.985 170 S CB 0.694 63.913 63.200 0.032 0.000 0.968 170 S HN 0.748 nan 8.310 nan 0.000 0.568 171 K N 0.288 120.488 120.400 -0.334 0.000 2.026 171 K HA -0.125 4.196 4.320 0.001 0.000 0.208 171 K C 2.215 178.712 176.600 -0.172 0.000 1.048 171 K CA 1.602 57.576 56.287 -0.522 0.000 0.929 171 K CB -0.293 31.822 32.500 -0.642 0.000 0.713 171 K HN 0.717 nan 8.250 nan 0.000 0.439 172 E N 1.564 121.698 120.200 -0.110 0.000 2.047 172 E HA -0.178 4.173 4.350 0.001 0.000 0.191 172 E C 1.458 178.077 176.600 0.031 0.000 0.987 172 E CA 1.601 57.985 56.400 -0.026 0.000 0.799 172 E CB -0.114 29.558 29.700 -0.047 0.000 0.752 172 E HN 0.151 nan 8.360 nan 0.000 0.449 173 D N -0.025 120.375 120.400 -0.000 0.000 2.123 173 D HA -0.161 4.480 4.640 0.001 0.000 0.196 173 D C 1.911 178.180 176.300 -0.051 0.000 0.992 173 D CA 0.933 54.929 54.000 -0.006 0.000 0.833 173 D CB -0.277 40.527 40.800 0.007 0.000 0.954 173 D HN 0.223 nan 8.370 nan 0.000 0.455 174 L N 0.047 121.235 121.223 -0.058 0.000 2.156 174 L HA -0.127 4.214 4.340 0.001 0.000 0.208 174 L C 2.128 178.731 176.870 -0.444 0.000 1.095 174 L CA 1.277 55.989 54.840 -0.214 0.000 0.770 174 L CB -0.749 41.288 42.059 -0.038 0.000 0.914 174 L HN 0.011 nan 8.230 nan 0.000 0.439 175 Y N -0.286 119.861 120.300 -0.256 0.000 2.200 175 Y HA -0.210 4.340 4.550 0.001 0.000 0.290 175 Y C 2.426 178.202 175.900 -0.208 0.000 1.137 175 Y CA 1.723 59.704 58.100 -0.200 0.000 1.163 175 Y CB -0.142 38.245 38.460 -0.120 0.000 0.988 175 Y HN 0.255 nan 8.280 nan 0.000 0.518 176 Q N -0.288 119.419 119.800 -0.155 0.000 2.170 176 Q HA -0.147 4.193 4.340 0.001 0.000 0.203 176 Q C 2.159 178.046 176.000 -0.187 0.000 0.976 176 Q CA 1.899 57.605 55.803 -0.161 0.000 0.858 176 Q CB -0.741 27.984 28.738 -0.022 0.000 0.907 176 Q HN 0.509 nan 8.270 nan 0.000 0.433 177 T N 0.974 115.384 114.554 -0.239 0.000 2.746 177 T HA -0.092 4.258 4.350 0.001 0.000 0.267 177 T C 1.446 176.140 174.700 -0.010 0.000 1.039 177 T CA 1.057 63.053 62.100 -0.173 0.000 1.142 177 T CB -0.217 68.490 68.868 -0.268 0.000 0.866 177 T HN 0.147 nan 8.240 nan 0.000 0.444 178 F N 1.614 121.573 119.950 0.014 0.000 2.206 178 F HA 0.236 4.763 4.527 0.001 0.000 0.298 178 F C 2.630 178.505 175.800 0.124 0.000 1.090 178 F CA -0.115 57.956 58.000 0.119 0.000 1.323 178 F CB -1.375 37.757 39.000 0.219 0.000 1.028 178 F HN 0.140 nan 8.300 nan 0.000 0.492 179 A N 0.174 123.094 122.820 0.166 0.000 2.015 179 A HA -0.119 4.202 4.320 0.001 0.000 0.219 179 A C 2.359 180.008 177.584 0.109 0.000 1.163 179 A CA 1.051 53.180 52.037 0.153 0.000 0.646 179 A CB -0.475 18.435 19.000 -0.150 0.000 0.806 179 A HN 0.288 nan 8.150 nan 0.000 0.448 180 R N -1.154 119.384 120.500 0.063 0.000 2.080 180 R HA -0.019 4.322 4.340 0.001 0.000 0.222 180 R C 2.159 178.502 176.300 0.072 0.000 1.107 180 R CA 1.526 57.659 56.100 0.054 0.000 0.980 180 R CB -0.713 29.605 30.300 0.030 0.000 0.879 180 R HN 0.466 nan 8.270 nan 0.000 0.439 181 T N 1.325 115.940 114.554 0.103 0.000 2.643 181 T HA -0.100 4.251 4.350 0.001 0.000 0.264 181 T C 2.006 176.747 174.700 0.067 0.000 1.045 181 T CA 1.452 63.611 62.100 0.098 0.000 1.155 181 T CB -0.229 68.734 68.868 0.157 0.000 0.863 181 T HN -0.026 nan 8.240 nan 0.000 0.420 182 V N 1.683 121.648 119.914 0.085 0.000 2.720 182 V HA -0.092 4.028 4.120 0.001 0.000 0.256 182 V C 2.620 178.728 176.094 0.023 0.000 1.082 182 V CA 1.308 63.619 62.300 0.017 0.000 1.101 182 V CB -0.572 31.250 31.823 -0.003 0.000 0.693 182 V HN 0.363 nan 8.190 nan 0.000 0.479 183 E N 0.523 120.760 120.200 0.061 0.000 2.046 183 E HA -0.113 4.237 4.350 0.001 0.000 0.190 183 E C 2.461 179.077 176.600 0.025 0.000 0.982 183 E CA 1.447 57.879 56.400 0.053 0.000 0.800 183 E CB -0.190 29.549 29.700 0.065 0.000 0.756 183 E HN 0.559 nan 8.360 nan 0.000 0.449 184 S N 0.105 115.822 115.700 0.028 0.000 2.400 184 S HA -0.116 4.354 4.470 0.001 0.000 0.232 184 S C 2.102 176.708 174.600 0.011 0.000 1.025 184 S CA 1.062 59.275 58.200 0.022 0.000 0.993 184 S CB -0.140 63.079 63.200 0.031 0.000 0.808 184 S HN 0.082 nan 8.310 nan 0.000 0.478 185 V N 3.352 123.263 119.914 -0.004 0.000 2.255 185 V HA -0.191 3.930 4.120 0.001 0.000 0.243 185 V C 2.452 178.519 176.094 -0.044 0.000 1.038 185 V CA 1.919 64.203 62.300 -0.028 0.000 1.008 185 V CB -1.019 30.766 31.823 -0.064 0.000 0.645 185 V HN 0.615 nan 8.190 nan 0.000 0.449 186 N N 1.272 119.936 118.700 -0.060 0.000 2.094 186 N HA -0.189 4.551 4.740 0.001 0.000 0.191 186 N C 1.547 177.021 175.510 -0.061 0.000 1.023 186 N CA 2.314 55.318 53.050 -0.077 0.000 0.857 186 N CB -0.926 37.526 38.487 -0.058 0.000 1.013 186 N HN 0.265 nan 8.380 nan 0.000 0.426 187 V N 0.942 120.832 119.914 -0.040 0.000 2.252 187 V HA -0.239 3.881 4.120 0.001 0.000 0.249 187 V C 2.469 178.499 176.094 -0.107 0.000 1.056 187 V CA 1.611 63.876 62.300 -0.058 0.000 1.022 187 V CB -0.549 31.254 31.823 -0.032 0.000 0.641 187 V HN 0.345 nan 8.190 nan 0.000 0.445 188 I N -0.218 120.321 120.570 -0.051 0.000 2.202 188 I HA -0.161 4.010 4.170 0.001 0.000 0.242 188 I C 2.495 178.596 176.117 -0.026 0.000 1.091 188 I CA 1.430 62.730 61.300 -0.001 0.000 1.368 188 I CB -1.196 36.892 38.000 0.146 0.000 1.058 188 I HN 0.186 nan 8.210 nan 0.000 0.410 189 V N 1.572 121.466 119.914 -0.035 0.000 2.255 189 V HA -0.285 3.836 4.120 0.001 0.000 0.247 189 V C 2.766 178.807 176.094 -0.089 0.000 1.051 189 V CA 2.315 64.582 62.300 -0.054 0.000 1.018 189 V CB -1.181 30.581 31.823 -0.102 0.000 0.641 189 V HN 0.566 nan 8.190 nan 0.000 0.445 190 S N -0.604 115.029 115.700 -0.112 0.000 2.368 190 S HA -0.214 4.257 4.470 0.001 0.000 0.224 190 S C 1.947 176.451 174.600 -0.161 0.000 1.029 190 S CA 1.867 60.000 58.200 -0.112 0.000 0.988 190 S CB -0.851 62.297 63.200 -0.087 0.000 0.838 190 S HN 0.569 nan 8.310 nan 0.000 0.462 191 T N 1.391 115.785 114.554 -0.268 0.000 2.643 191 T HA -0.057 4.293 4.350 0.001 0.000 0.264 191 T C 1.192 175.622 174.700 -0.450 0.000 1.045 191 T CA 1.809 63.643 62.100 -0.443 0.000 1.155 191 T CB -0.576 67.846 68.868 -0.744 0.000 0.863 191 T HN 0.616 nan 8.240 nan 0.000 0.420 192 Y N 1.065 121.332 120.300 -0.055 0.000 2.466 192 Y HA 0.585 5.135 4.550 0.001 0.000 0.272 192 Y C 1.093 176.951 175.900 -0.070 0.000 1.169 192 Y CA -1.124 56.938 58.100 -0.065 0.000 1.285 192 Y CB -0.454 37.960 38.460 -0.075 0.000 1.078 192 Y HN 0.114 nan 8.280 nan 0.000 0.523 193 A N 0.349 123.172 122.820 0.004 0.000 2.320 193 A HA 0.301 4.621 4.320 0.001 0.000 0.287 193 A C -0.373 177.186 177.584 -0.041 0.000 1.181 193 A CA -0.706 51.318 52.037 -0.022 0.000 0.831 193 A CB -0.113 18.857 19.000 -0.051 0.000 1.102 193 A HN 0.215 nan 8.150 nan 0.000 0.513 194 D N 1.634 122.007 120.400 -0.045 0.000 2.478 194 D HA 0.096 4.736 4.640 0.001 0.000 0.234 194 D C 1.166 177.421 176.300 -0.074 0.000 1.154 194 D CA 0.753 54.719 54.000 -0.057 0.000 0.874 194 D CB 0.646 41.403 40.800 -0.072 0.000 1.198 194 D HN 0.686 nan 8.370 nan 0.000 0.455 195 E N 0.636 120.799 120.200 -0.062 0.000 2.107 195 E HA -0.119 4.232 4.350 0.001 0.000 0.191 195 E C 1.928 178.480 176.600 -0.079 0.000 0.982 195 E CA 0.481 56.844 56.400 -0.060 0.000 0.809 195 E CB 0.016 29.689 29.700 -0.044 0.000 0.756 195 E HN 0.217 nan 8.360 nan 0.000 0.459 196 V N 1.998 121.856 119.914 -0.094 0.000 2.287 196 V HA -0.280 3.840 4.120 0.001 0.000 0.248 196 V C 2.342 178.318 176.094 -0.196 0.000 1.053 196 V CA 1.650 63.876 62.300 -0.124 0.000 1.027 196 V CB -0.588 31.160 31.823 -0.125 0.000 0.646 196 V HN 0.291 nan 8.190 nan 0.000 0.447 197 L N -0.045 121.024 121.223 -0.257 0.000 2.349 197 L HA 0.074 4.414 4.340 0.001 0.000 0.220 197 L C 1.356 178.124 176.870 -0.171 0.000 1.130 197 L CA 0.937 55.593 54.840 -0.308 0.000 0.791 197 L CB -1.186 40.715 42.059 -0.264 0.000 0.918 197 L HN 0.650 nan 8.230 nan 0.000 0.444 198 G N -0.144 108.585 108.800 -0.118 0.000 2.782 198 G HA2 -0.216 3.745 3.960 0.001 0.000 0.228 198 G HA3 -0.216 3.745 3.960 0.001 0.000 0.228 198 G C -0.672 174.193 174.900 -0.059 0.000 1.372 198 G CA -0.610 44.447 45.100 -0.071 0.000 0.862 198 G HN 0.174 nan 8.290 nan 0.000 0.547 199 D N -0.365 120.019 120.400 -0.027 0.000 2.450 199 D HA 0.222 4.862 4.640 0.001 0.000 0.247 199 D C 0.958 177.231 176.300 -0.045 0.000 1.162 199 D CA 0.691 54.682 54.000 -0.016 0.000 0.879 199 D CB 1.809 42.640 40.800 0.052 0.000 1.163 199 D HN 0.682 nan 8.370 nan 0.000 0.472 200 V N 3.268 123.123 119.914 -0.098 0.000 3.253 200 V HA 0.007 4.128 4.120 0.001 0.000 0.320 200 V C 0.554 176.496 176.094 -0.253 0.000 1.442 200 V CA -0.076 62.140 62.300 -0.140 0.000 1.097 200 V CB -0.047 31.709 31.823 -0.112 0.000 1.008 200 V HN 0.446 nan 8.190 nan 0.000 0.463 201 Q N 1.041 120.639 119.800 -0.336 0.000 2.333 201 Q HA 0.117 4.457 4.340 0.001 0.000 0.299 201 Q C 0.004 175.453 176.000 -0.918 0.000 1.067 201 Q CA 0.621 56.086 55.803 -0.563 0.000 0.943 201 Q CB 1.271 29.671 28.738 -0.564 0.000 1.233 201 Q HN 0.566 nan 8.270 nan 0.000 0.401 202 V N 1.148 120.656 119.914 -0.678 0.000 2.408 202 V HA 0.286 4.406 4.120 0.001 0.000 0.267 202 V C -1.056 174.685 176.094 -0.589 0.000 1.047 202 V CA -0.559 61.389 62.300 -0.586 0.000 0.937 202 V CB -0.193 31.404 31.823 -0.377 0.000 0.999 202 V HN 0.471 nan 8.190 nan 0.000 0.472 203 Y N 5.329 125.481 120.300 -0.247 0.000 2.328 203 Y HA 0.497 5.048 4.550 0.001 0.000 0.337 203 Y C -1.885 173.801 175.900 -0.355 0.000 0.966 203 Y CA -2.657 55.281 58.100 -0.271 0.000 1.136 203 Y CB 1.956 40.311 38.460 -0.175 0.000 1.170 203 Y HN 0.411 nan 8.280 nan 0.000 0.470 204 P HA -0.161 nan 4.420 nan 0.000 0.217 204 P C 1.147 178.333 177.300 -0.189 0.000 1.150 204 P CA 2.057 64.900 63.100 -0.429 0.000 0.832 204 P CB 0.335 31.451 31.700 -0.973 0.000 0.787 205 A N -0.616 122.077 122.820 -0.212 0.000 2.248 205 A HA -0.085 4.235 4.320 0.001 0.000 0.210 205 A C 1.888 179.515 177.584 0.071 0.000 1.174 205 A CA 0.977 53.046 52.037 0.053 0.000 0.750 205 A CB -0.817 18.264 19.000 0.135 0.000 0.780 205 A HN 0.147 nan 8.150 nan 0.000 0.478 206 R N -2.224 118.301 120.500 0.041 0.000 2.373 206 R HA 0.273 4.613 4.340 0.001 0.000 0.221 206 R C 1.060 177.410 176.300 0.084 0.000 0.893 206 R CA 0.557 56.698 56.100 0.069 0.000 1.049 206 R CB 0.462 30.813 30.300 0.084 0.000 1.119 206 R HN 0.619 nan 8.270 nan 0.000 0.535 207 G N 1.452 110.274 108.800 0.037 0.000 2.134 207 G HA2 -0.246 3.715 3.960 0.001 0.000 0.209 207 G HA3 -0.246 3.715 3.960 0.001 0.000 0.209 207 G C 0.579 175.435 174.900 -0.073 0.000 0.993 207 G CA 0.492 45.651 45.100 0.098 0.000 0.669 207 G HN 0.361 nan 8.290 nan 0.000 0.519 208 T N -2.364 111.985 114.554 -0.343 0.000 3.176 208 T HA 0.593 4.944 4.350 0.001 0.000 0.263 208 T C 0.119 174.595 174.700 -0.374 0.000 1.021 208 T CA 0.219 62.020 62.100 -0.499 0.000 0.905 208 T CB 1.198 69.702 68.868 -0.607 0.000 1.057 208 T HN 0.932 nan 8.240 nan 0.000 0.558 209 V N 1.089 120.783 119.914 -0.367 0.000 2.624 209 V HA 0.743 4.864 4.120 0.001 0.000 0.294 209 V C -0.258 175.336 176.094 -0.833 0.000 1.077 209 V CA -1.174 60.788 62.300 -0.564 0.000 0.905 209 V CB 1.152 32.627 31.823 -0.580 0.000 1.025 209 V HN 0.625 nan 8.190 nan 0.000 0.440 210 A N 4.769 127.050 122.820 -0.899 0.000 2.299 210 A HA 1.046 5.367 4.320 0.001 0.000 0.332 210 A C -1.171 175.546 177.584 -1.445 0.000 1.131 210 A CA -0.443 51.030 52.037 -0.941 0.000 0.844 210 A CB 1.152 19.885 19.000 -0.445 0.000 1.251 210 A HN 0.676 nan 8.150 nan 0.000 0.486 211 F N -0.499 118.975 119.950 -0.793 0.000 2.569 211 F HA 0.744 5.272 4.527 0.001 0.000 0.312 211 F C 0.625 175.898 175.800 -0.878 0.000 1.109 211 F CA 0.120 57.571 58.000 -0.915 0.000 0.919 211 F CB 2.565 40.864 39.000 -1.170 0.000 1.211 211 F HN 1.042 nan 8.300 nan 0.000 0.446 212 G N 0.307 108.733 108.800 -0.623 0.000 2.317 212 G HA2 0.442 4.403 3.960 0.001 0.000 0.293 212 G HA3 0.442 4.403 3.960 0.001 0.000 0.293 212 G C -2.079 172.222 174.900 -0.999 0.000 1.287 212 G CA -0.786 43.633 45.100 -1.134 0.000 0.850 212 G HN 0.684 nan 8.290 nan 0.000 0.515 213 S N -1.527 113.429 115.700 -1.240 0.000 2.538 213 S HA 0.619 5.090 4.470 0.001 0.000 0.288 213 S C 1.148 175.532 174.600 -0.361 0.000 1.108 213 S CA 0.654 58.462 58.200 -0.653 0.000 0.971 213 S CB 1.390 64.249 63.200 -0.569 0.000 1.041 213 S HN 1.702 nan 8.310 nan 0.000 0.483 214 G N 2.997 111.687 108.800 -0.184 0.000 2.453 214 G HA2 -0.016 3.944 3.960 0.001 0.000 0.215 214 G HA3 -0.016 3.944 3.960 0.001 0.000 0.215 214 G C 1.206 176.124 174.900 0.031 0.000 1.147 214 G CA 0.606 45.667 45.100 -0.066 0.000 0.802 214 G HN 0.623 nan 8.290 nan 0.000 0.535 215 L N 0.610 121.866 121.223 0.056 0.000 1.989 215 L HA -0.093 4.247 4.340 0.001 0.000 0.211 215 L C 2.496 179.571 176.870 0.343 0.000 1.071 215 L CA 2.060 57.011 54.840 0.186 0.000 0.749 215 L CB -0.641 41.552 42.059 0.222 0.000 0.890 215 L HN 0.253 nan 8.230 nan 0.000 0.431 216 H N -0.010 119.148 119.070 0.147 0.000 2.512 216 H HA 0.337 4.893 4.556 0.001 0.000 0.279 216 H C 1.564 177.055 175.328 0.271 0.000 0.999 216 H CA 0.138 56.341 56.048 0.257 0.000 1.283 216 H CB -0.402 29.663 29.762 0.504 0.000 1.421 216 H HN 0.486 nan 8.280 nan 0.000 0.554 217 G N -0.243 108.738 108.800 0.302 0.000 2.165 217 G HA2 -0.177 3.783 3.960 0.001 0.000 0.226 217 G HA3 -0.177 3.783 3.960 0.001 0.000 0.226 217 G C -0.073 175.008 174.900 0.303 0.000 1.035 217 G CA 0.259 45.491 45.100 0.220 0.000 0.744 217 G HN 0.482 nan 8.290 nan 0.000 0.501 218 W N -1.075 120.328 121.300 0.171 0.000 2.882 218 W HA 0.866 5.526 4.660 0.001 0.000 0.345 218 W C -0.273 176.324 176.519 0.131 0.000 1.125 218 W CA -1.490 55.958 57.345 0.172 0.000 1.167 218 W CB 1.608 31.235 29.460 0.278 0.000 1.431 218 W HN 1.232 nan 8.180 nan 0.000 0.543 219 A N 2.837 125.845 122.820 0.314 0.000 2.590 219 A HA 0.740 5.060 4.320 0.001 0.000 0.296 219 A C -2.088 175.639 177.584 0.239 0.000 1.050 219 A CA -0.725 51.343 52.037 0.052 0.000 0.697 219 A CB 0.855 19.775 19.000 -0.133 0.000 1.277 219 A HN 1.106 nan 8.150 nan 0.000 0.411 220 F N -0.416 119.663 119.950 0.214 0.000 2.626 220 F HA 0.908 5.435 4.527 0.001 0.000 0.311 220 F C -0.161 175.788 175.800 0.247 0.000 1.088 220 F CA -0.287 57.819 58.000 0.177 0.000 0.949 220 F CB 1.536 40.682 39.000 0.244 0.000 1.322 220 F HN 0.859 nan 8.300 nan 0.000 0.461 221 T N 0.296 115.112 114.554 0.436 0.000 2.885 221 T HA 0.448 4.798 4.350 0.001 0.000 0.285 221 T C 0.828 175.866 174.700 0.564 0.000 1.019 221 T CA -0.811 61.514 62.100 0.375 0.000 1.010 221 T CB 1.349 70.306 68.868 0.148 0.000 1.022 221 T HN 0.657 nan 8.240 nan 0.000 0.466 222 I N 1.084 122.011 120.570 0.595 0.000 2.335 222 I HA -0.112 4.058 4.170 0.001 0.000 0.251 222 I C 2.547 178.900 176.117 0.395 0.000 1.129 222 I CA 1.447 63.099 61.300 0.587 0.000 1.402 222 I CB -1.068 37.239 38.000 0.512 0.000 1.069 222 I HN 0.828 nan 8.210 nan 0.000 0.424 223 R N 0.843 121.505 120.500 0.271 0.000 2.285 223 R HA -0.143 4.198 4.340 0.001 0.000 0.213 223 R C 2.087 178.465 176.300 0.131 0.000 1.068 223 R CA 0.841 57.049 56.100 0.181 0.000 1.004 223 R CB 0.134 30.514 30.300 0.133 0.000 0.873 223 R HN 0.497 nan 8.270 nan 0.000 0.467 224 Q N -0.892 118.978 119.800 0.116 0.000 2.061 224 Q HA -0.059 4.281 4.340 0.001 0.000 0.195 224 Q C 1.278 177.242 176.000 -0.060 0.000 0.967 224 Q CA 1.075 56.853 55.803 -0.041 0.000 0.829 224 Q CB 0.055 28.689 28.738 -0.173 0.000 0.900 224 Q HN 0.297 nan 8.270 nan 0.000 0.450 225 F N 0.245 120.254 119.950 0.098 0.000 2.771 225 F HA 0.044 4.572 4.527 0.001 0.000 0.299 225 F C 1.825 177.722 175.800 0.161 0.000 1.177 225 F CA 0.585 58.621 58.000 0.061 0.000 1.450 225 F CB -0.137 38.941 39.000 0.131 0.000 1.114 225 F HN 0.065 nan 8.300 nan 0.000 0.587 226 A N -1.224 121.787 122.820 0.317 0.000 2.095 226 A HA 0.017 4.338 4.320 0.001 0.000 0.212 226 A C 2.063 179.744 177.584 0.162 0.000 1.162 226 A CA 1.234 53.428 52.037 0.262 0.000 0.753 226 A CB -0.663 18.470 19.000 0.221 0.000 0.840 226 A HN 0.239 nan 8.150 nan 0.000 0.468 227 T N -0.801 113.812 114.554 0.098 0.000 3.057 227 T HA 0.072 4.423 4.350 0.001 0.000 0.254 227 T C 1.919 176.625 174.700 0.010 0.000 1.094 227 T CA 0.540 62.667 62.100 0.045 0.000 1.088 227 T CB 0.060 68.936 68.868 0.015 0.000 0.934 227 T HN 0.440 nan 8.240 nan 0.000 0.497 228 R N 0.105 120.594 120.500 -0.019 0.000 2.048 228 R HA 0.122 4.463 4.340 0.001 0.000 0.221 228 R C 1.680 177.891 176.300 -0.148 0.000 1.174 228 R CA 0.884 56.908 56.100 -0.127 0.000 0.971 228 R CB -0.325 29.840 30.300 -0.226 0.000 0.863 228 R HN 0.296 nan 8.270 nan 0.000 0.439 229 Y N 0.997 121.312 120.300 0.024 0.000 2.639 229 Y HA 0.008 4.559 4.550 0.001 0.000 0.297 229 Y C 2.109 178.017 175.900 0.012 0.000 1.151 229 Y CA 0.379 58.422 58.100 -0.095 0.000 1.335 229 Y CB -0.508 37.918 38.460 -0.058 0.000 0.994 229 Y HN 0.194 nan 8.280 nan 0.000 0.548 230 A N 0.210 123.131 122.820 0.168 0.000 1.898 230 A HA -0.158 4.162 4.320 0.001 0.000 0.216 230 A C 2.224 179.867 177.584 0.098 0.000 1.181 230 A CA 1.453 53.575 52.037 0.142 0.000 0.620 230 A CB -0.255 18.800 19.000 0.093 0.000 0.819 230 A HN 0.365 nan 8.150 nan 0.000 0.442 231 K N -0.189 120.236 120.400 0.043 0.000 2.116 231 K HA -0.025 4.295 4.320 0.001 0.000 0.203 231 K C 2.038 178.638 176.600 -0.001 0.000 1.052 231 K CA 1.128 57.426 56.287 0.019 0.000 0.952 231 K CB -0.117 32.380 32.500 -0.005 0.000 0.729 231 K HN 0.354 nan 8.250 nan 0.000 0.446 232 K N 0.417 120.780 120.400 -0.062 0.000 1.978 232 K HA -0.111 4.210 4.320 0.001 0.000 0.214 232 K C 1.336 177.862 176.600 -0.124 0.000 1.049 232 K CA 1.366 57.557 56.287 -0.159 0.000 0.939 232 K CB -0.235 32.072 32.500 -0.322 0.000 0.721 232 K HN -0.081 nan 8.250 nan 0.000 0.441 233 F N -0.364 119.602 119.950 0.027 0.000 2.033 233 F HA 0.154 4.681 4.527 0.001 0.000 0.215 233 F C 1.685 177.503 175.800 0.029 0.000 0.855 233 F CA 0.493 58.504 58.000 0.019 0.000 1.163 233 F CB -0.325 38.672 39.000 -0.005 0.000 2.041 233 F HN 0.103 nan 8.300 nan 0.000 0.590 234 G N -0.452 108.515 108.800 0.279 0.000 4.867 234 G HA2 0.497 4.458 3.960 0.001 0.000 0.258 234 G HA3 0.497 4.458 3.960 0.001 0.000 0.258 234 G C -1.649 173.304 174.900 0.087 0.000 0.999 234 G CA -0.059 45.127 45.100 0.143 0.000 0.797 234 G HN 0.267 nan 8.290 nan 0.000 0.505 235 V N 1.098 121.061 119.914 0.081 0.000 2.735 235 V HA 0.392 4.513 4.120 0.001 0.000 0.310 235 V C -0.227 175.882 176.094 0.025 0.000 1.061 235 V CA -1.153 61.154 62.300 0.012 0.000 0.913 235 V CB 2.209 33.982 31.823 -0.082 0.000 1.005 235 V HN 0.547 nan 8.190 nan 0.000 0.428 236 D N 2.277 122.681 120.400 0.008 0.000 2.390 236 D HA 0.020 4.660 4.640 0.001 0.000 0.236 236 D C 1.023 177.336 176.300 0.021 0.000 1.189 236 D CA -0.190 53.821 54.000 0.018 0.000 0.887 236 D CB 0.622 41.428 40.800 0.009 0.000 1.198 236 D HN 0.720 nan 8.370 nan 0.000 0.444 237 K N 0.495 120.918 120.400 0.039 0.000 2.439 237 K HA -0.028 4.293 4.320 0.001 0.000 0.197 237 K C 1.697 178.325 176.600 0.046 0.000 1.041 237 K CA 0.535 56.856 56.287 0.058 0.000 0.970 237 K CB -0.115 32.429 32.500 0.072 0.000 0.773 237 K HN 0.410 nan 8.250 nan 0.000 0.479 238 A N 2.967 125.803 122.820 0.026 0.000 1.841 238 A HA -0.210 4.110 4.320 0.001 0.000 0.216 238 A C 2.200 179.786 177.584 0.003 0.000 1.199 238 A CA 1.901 53.950 52.037 0.021 0.000 0.621 238 A CB -0.586 18.420 19.000 0.010 0.000 0.835 238 A HN 0.392 nan 8.150 nan 0.000 0.445 239 K N -1.538 118.843 120.400 -0.032 0.000 2.365 239 K HA -0.087 4.233 4.320 0.001 0.000 0.199 239 K C 1.902 178.429 176.600 -0.122 0.000 1.045 239 K CA 1.371 57.609 56.287 -0.082 0.000 0.962 239 K CB -0.150 32.279 32.500 -0.118 0.000 0.759 239 K HN 0.387 nan 8.250 nan 0.000 0.469 240 M N 1.302 120.860 119.600 -0.070 0.000 2.156 240 M HA -0.092 4.389 4.480 0.001 0.000 0.264 240 M C 1.950 178.277 176.300 0.046 0.000 1.067 240 M CA 1.507 56.776 55.300 -0.053 0.000 1.131 240 M CB -0.151 32.479 32.600 0.050 0.000 1.368 240 M HN 0.265 nan 8.290 nan 0.000 0.416 241 M N -2.427 117.233 119.600 0.099 0.000 2.254 241 M HA -0.082 4.398 4.480 0.001 0.000 0.265 241 M C 1.704 178.106 176.300 0.171 0.000 1.066 241 M CA 1.912 57.319 55.300 0.178 0.000 1.123 241 M CB -1.150 31.554 32.600 0.173 0.000 1.388 241 M HN 0.178 nan 8.290 nan 0.000 0.425 242 D N 1.486 121.938 120.400 0.087 0.000 2.104 242 D HA -0.170 4.471 4.640 0.001 0.000 0.194 242 D C 2.048 178.399 176.300 0.085 0.000 0.994 242 D CA 1.583 55.629 54.000 0.076 0.000 0.830 242 D CB 0.002 40.805 40.800 0.006 0.000 0.959 242 D HN 0.490 nan 8.370 nan 0.000 0.452 243 R N -0.017 120.478 120.500 -0.009 0.000 2.075 243 R HA 0.001 4.341 4.340 0.001 0.000 0.232 243 R C 2.661 179.061 176.300 0.166 0.000 1.126 243 R CA 0.437 56.526 56.100 -0.017 0.000 0.963 243 R CB -0.318 29.778 30.300 -0.340 0.000 0.858 243 R HN 0.238 nan 8.270 nan 0.000 0.435 244 L N -0.442 120.936 121.223 0.259 0.000 2.270 244 L HA -0.193 4.148 4.340 0.001 0.000 0.217 244 L C 1.145 178.322 176.870 0.513 0.000 1.107 244 L CA 0.843 55.941 54.840 0.428 0.000 0.772 244 L CB -0.352 41.998 42.059 0.485 0.000 0.902 244 L HN 0.346 nan 8.230 nan 0.000 0.439 245 W N -0.119 121.298 121.300 0.194 0.000 2.799 245 W HA 0.446 5.106 4.660 0.001 0.000 0.349 245 W C 0.603 177.159 176.519 0.061 0.000 1.100 245 W CA 0.291 57.715 57.345 0.131 0.000 1.174 245 W CB 1.555 31.090 29.460 0.124 0.000 1.427 245 W HN 0.102 nan 8.180 nan 0.000 0.547 246 G N 2.957 111.338 108.800 -0.698 0.000 2.525 246 G HA2 -0.250 3.710 3.960 0.001 0.000 0.248 246 G HA3 -0.250 3.710 3.960 0.001 0.000 0.248 246 G C -0.867 173.805 174.900 -0.380 0.000 1.238 246 G CA -0.050 44.805 45.100 -0.409 0.000 0.926 246 G HN 0.496 nan 8.290 nan 0.000 0.574 247 D N 1.729 121.974 120.400 -0.258 0.000 2.428 247 D HA 0.583 5.223 4.640 0.001 0.000 0.221 247 D C -0.364 175.701 176.300 -0.392 0.000 1.123 247 D CA 0.395 54.166 54.000 -0.381 0.000 0.869 247 D CB 1.013 41.782 40.800 -0.052 0.000 1.032 247 D HN 0.522 nan 8.370 nan 0.000 0.506 248 S N 1.781 117.030 115.700 -0.752 0.000 2.605 248 S HA 0.416 4.886 4.470 0.001 0.000 0.279 248 S C -0.924 173.373 174.600 -0.505 0.000 1.166 248 S CA -0.724 57.298 58.200 -0.296 0.000 0.975 248 S CB 0.698 63.904 63.200 0.010 0.000 1.111 248 S HN 0.199 nan 8.310 nan 0.000 0.465 249 F N 1.585 121.644 119.950 0.183 0.000 2.598 249 F HA 0.747 5.275 4.527 0.001 0.000 0.327 249 F C -0.532 175.206 175.800 -0.103 0.000 1.057 249 F CA -1.131 56.873 58.000 0.007 0.000 0.957 249 F CB 1.092 40.046 39.000 -0.076 0.000 1.278 249 F HN 0.524 nan 8.300 nan 0.000 0.484 250 F N 2.526 122.281 119.950 -0.325 0.000 2.646 250 F HA 0.358 4.885 4.527 0.001 0.000 0.364 250 F C -0.329 175.271 175.800 -0.333 0.000 1.137 250 F CA -0.860 56.759 58.000 -0.634 0.000 1.085 250 F CB 0.357 38.804 39.000 -0.921 0.000 1.331 250 F HN 0.378 nan 8.300 nan 0.000 0.472 251 N N 6.745 125.101 118.700 -0.574 0.000 2.468 251 N HA 0.120 4.861 4.740 0.001 0.000 0.265 251 N C -1.937 173.246 175.510 -0.545 0.000 1.199 251 N CA -1.228 51.564 53.050 -0.429 0.000 0.928 251 N CB 1.741 40.032 38.487 -0.326 0.000 1.059 251 N HN 0.305 nan 8.380 nan 0.000 0.467 252 P HA -0.055 nan 4.420 nan 0.000 0.217 252 P C 0.744 177.935 177.300 -0.181 0.000 1.151 252 P CA 1.509 64.500 63.100 -0.181 0.000 0.828 252 P CB 0.448 32.101 31.700 -0.079 0.000 0.788 253 K N -0.560 119.737 120.400 -0.171 0.000 1.973 253 K HA -0.087 4.233 4.320 0.001 0.000 0.210 253 K C 2.214 178.724 176.600 -0.151 0.000 1.045 253 K CA 2.145 58.353 56.287 -0.132 0.000 0.937 253 K CB -1.380 31.052 32.500 -0.113 0.000 0.721 253 K HN 0.214 nan 8.250 nan 0.000 0.438 254 T N -0.482 113.958 114.554 -0.191 0.000 3.007 254 T HA -0.066 4.284 4.350 0.001 0.000 0.270 254 T C 0.545 175.115 174.700 -0.216 0.000 1.107 254 T CA 0.481 62.476 62.100 -0.176 0.000 1.118 254 T CB -0.179 68.587 68.868 -0.171 0.000 0.889 254 T HN 0.057 nan 8.240 nan 0.000 0.506 255 K N 1.108 121.294 120.400 -0.357 0.000 3.077 255 K HA -0.124 4.196 4.320 0.001 0.000 0.264 255 K C -0.661 175.727 176.600 -0.353 0.000 1.008 255 K CA 0.923 56.965 56.287 -0.409 0.000 0.740 255 K CB -1.572 30.861 32.500 -0.112 0.000 1.273 255 K HN 0.666 nan 8.250 nan 0.000 0.477 256 K N -0.585 119.518 120.400 -0.494 0.000 2.527 256 K HA 0.338 4.659 4.320 0.001 0.000 0.260 256 K C -0.606 175.870 176.600 -0.207 0.000 0.937 256 K CA -0.783 55.386 56.287 -0.196 0.000 0.826 256 K CB 1.128 33.587 32.500 -0.070 0.000 1.359 256 K HN -0.045 nan 8.250 nan 0.000 0.434 257 W N 1.453 122.771 121.300 0.030 0.000 2.272 257 W HA 0.283 4.943 4.660 0.001 0.000 0.318 257 W C 0.266 176.824 176.519 0.065 0.000 1.255 257 W CA 0.242 57.653 57.345 0.110 0.000 1.200 257 W CB 1.272 30.806 29.460 0.123 0.000 1.170 257 W HN 0.396 nan 8.180 nan 0.000 0.549 258 T N 1.984 116.728 114.554 0.316 0.000 2.831 258 T HA 0.295 4.645 4.350 0.001 0.000 0.287 258 T C 0.031 174.925 174.700 0.324 0.000 1.070 258 T CA -0.921 61.320 62.100 0.235 0.000 1.010 258 T CB 1.429 70.373 68.868 0.127 0.000 1.264 258 T HN 0.286 nan 8.240 nan 0.000 0.532 259 N N 0.777 119.631 118.700 0.257 0.000 2.351 259 N HA 0.221 4.962 4.740 0.001 0.000 0.254 259 N C -0.809 174.878 175.510 0.296 0.000 1.241 259 N CA -0.056 53.163 53.050 0.283 0.000 0.883 259 N CB 0.811 39.390 38.487 0.153 0.000 1.202 259 N HN 0.358 nan 8.380 nan 0.000 0.512 260 K N 0.778 121.308 120.400 0.216 0.000 2.324 260 K HA 0.148 4.469 4.320 0.001 0.000 0.253 260 K C -0.278 175.984 176.600 -0.565 0.000 0.932 260 K CA -0.564 55.697 56.287 -0.043 0.000 0.799 260 K CB 1.566 34.021 32.500 -0.075 0.000 1.154 260 K HN 0.005 nan 8.250 nan 0.000 0.425 261 D N 0.238 120.191 120.400 -0.745 0.000 2.332 261 D HA -0.016 4.625 4.640 0.001 0.000 0.244 261 D C -0.356 175.521 176.300 -0.705 0.000 1.136 261 D CA 0.153 53.369 54.000 -1.306 0.000 0.884 261 D CB 0.383 40.801 40.800 -0.636 0.000 0.906 261 D HN 0.103 nan 8.370 nan 0.000 0.520 262 T N 0.073 114.339 114.554 -0.479 0.000 2.956 262 T HA 0.152 4.503 4.350 0.001 0.000 0.312 262 T C -1.422 173.146 174.700 -0.221 0.000 1.151 262 T CA -1.006 60.916 62.100 -0.295 0.000 1.024 262 T CB 2.170 70.917 68.868 -0.202 0.000 1.140 262 T HN 0.214 nan 8.240 nan 0.000 0.473 263 D N 1.709 121.999 120.400 -0.183 0.000 2.377 263 D HA 0.357 4.998 4.640 0.001 0.000 0.245 263 D C 1.594 177.829 176.300 -0.108 0.000 1.196 263 D CA -0.025 53.890 54.000 -0.141 0.000 0.962 263 D CB 1.428 42.147 40.800 -0.136 0.000 1.127 263 D HN 0.536 nan 8.370 nan 0.000 0.471 264 A N 2.259 125.026 122.820 -0.088 0.000 1.929 264 A HA -0.280 4.041 4.320 0.001 0.000 0.221 264 A C 1.886 179.431 177.584 -0.066 0.000 1.211 264 A CA 2.091 54.086 52.037 -0.069 0.000 0.657 264 A CB -0.817 18.148 19.000 -0.059 0.000 0.827 264 A HN 0.808 nan 8.150 nan 0.000 0.462 265 E N -1.862 118.297 120.200 -0.068 0.000 2.511 265 E HA 0.247 4.598 4.350 0.001 0.000 0.196 265 E C 1.096 177.656 176.600 -0.066 0.000 1.066 265 E CA 0.315 56.678 56.400 -0.061 0.000 0.871 265 E CB -0.184 29.481 29.700 -0.058 0.000 0.863 265 E HN 0.895 nan 8.360 nan 0.000 0.520 266 G N 1.849 110.601 108.800 -0.080 0.000 2.144 266 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 266 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 266 G C -0.009 174.834 174.900 -0.096 0.000 0.988 266 G CA -0.265 44.784 45.100 -0.085 0.000 0.659 266 G HN 0.114 nan 8.290 nan 0.000 0.522 267 K N 0.816 121.154 120.400 -0.104 0.000 2.144 267 K HA 0.459 4.779 4.320 0.001 0.000 0.270 267 K C -2.524 173.989 176.600 -0.145 0.000 1.005 267 K CA -1.867 54.355 56.287 -0.110 0.000 0.932 267 K CB 1.113 33.553 32.500 -0.100 0.000 1.021 267 K HN -0.010 nan 8.250 nan 0.000 0.462 268 P HA 0.051 nan 4.420 nan 0.000 0.271 268 P C -0.925 176.256 177.300 -0.199 0.000 1.220 268 P CA 0.196 63.190 63.100 -0.177 0.000 0.768 268 P CB 0.468 32.088 31.700 -0.134 0.000 0.848 269 L N 2.614 123.664 121.223 -0.289 0.000 2.307 269 L HA 0.377 4.718 4.340 0.001 0.000 0.284 269 L C 0.882 177.677 176.870 -0.126 0.000 1.023 269 L CA -0.779 53.909 54.840 -0.254 0.000 0.810 269 L CB 1.416 43.254 42.059 -0.368 0.000 1.231 269 L HN 0.358 nan 8.230 nan 0.000 0.423 270 E N 3.724 123.891 120.200 -0.055 0.000 2.360 270 E HA 0.091 4.441 4.350 0.001 0.000 0.269 270 E C -0.088 176.569 176.600 0.096 0.000 1.022 270 E CA -0.525 55.853 56.400 -0.035 0.000 0.887 270 E CB 0.964 30.573 29.700 -0.151 0.000 0.990 270 E HN 0.385 nan 8.360 nan 0.000 0.426 271 R N 2.773 123.282 120.500 0.015 0.000 2.679 271 R HA 0.028 4.369 4.340 0.001 0.000 0.268 271 R C 0.875 176.990 176.300 -0.308 0.000 1.044 271 R CA 0.646 56.595 56.100 -0.251 0.000 1.105 271 R CB 0.603 30.614 30.300 -0.481 0.000 0.989 271 R HN 0.751 nan 8.270 nan 0.000 0.447 272 A N 4.824 127.475 122.820 -0.281 0.000 1.917 272 A HA -0.241 4.080 4.320 0.001 0.000 0.219 272 A C 1.779 179.322 177.584 -0.069 0.000 1.182 272 A CA 1.533 53.510 52.037 -0.099 0.000 0.633 272 A CB -0.639 18.563 19.000 0.336 0.000 0.819 272 A HN 0.859 nan 8.150 nan 0.000 0.448 273 F N 1.418 121.263 119.950 -0.174 0.000 2.031 273 F HA -0.202 4.325 4.527 0.001 0.000 0.295 273 F C 1.996 177.686 175.800 -0.184 0.000 1.133 273 F CA 2.304 60.258 58.000 -0.076 0.000 1.188 273 F CB -0.609 38.376 39.000 -0.026 0.000 0.974 273 F HN 0.288 nan 8.300 nan 0.000 0.473 274 N N -0.032 118.588 118.700 -0.134 0.000 2.137 274 N HA -0.254 4.486 4.740 0.001 0.000 0.190 274 N C 1.947 177.219 175.510 -0.395 0.000 1.017 274 N CA 1.939 54.823 53.050 -0.278 0.000 0.859 274 N CB -0.424 37.911 38.487 -0.254 0.000 1.002 274 N HN 0.382 nan 8.380 nan 0.000 0.428 275 M N -1.059 118.242 119.600 -0.498 0.000 2.123 275 M HA -0.036 4.444 4.480 0.001 0.000 0.263 275 M C 0.552 176.452 176.300 -0.668 0.000 1.069 275 M CA 1.535 56.414 55.300 -0.702 0.000 1.133 275 M CB 0.082 31.982 32.600 -1.167 0.000 1.356 275 M HN 0.084 nan 8.290 nan 0.000 0.415 276 F N -1.347 118.425 119.950 -0.297 0.000 2.731 276 F HA 0.132 4.659 4.527 0.001 0.000 0.298 276 F C 1.567 177.120 175.800 -0.412 0.000 1.106 276 F CA -0.012 57.761 58.000 -0.378 0.000 1.329 276 F CB -0.100 38.517 39.000 -0.638 0.000 1.100 276 F HN 0.046 nan 8.300 nan 0.000 0.592 277 I N -0.929 119.353 120.570 -0.480 0.000 3.518 277 I HA 0.078 4.249 4.170 0.001 0.000 0.260 277 I C 2.092 177.802 176.117 -0.678 0.000 1.148 277 I CA 0.529 61.300 61.300 -0.883 0.000 1.440 277 I CB -1.170 36.114 38.000 -1.193 0.000 1.485 277 I HN -0.007 nan 8.210 nan 0.000 0.456 278 L N 0.813 121.663 121.223 -0.621 0.000 2.141 278 L HA -0.174 4.166 4.340 0.001 0.000 0.209 278 L C 2.119 178.856 176.870 -0.222 0.000 1.094 278 L CA 1.393 56.045 54.840 -0.313 0.000 0.763 278 L CB -0.429 41.433 42.059 -0.328 0.000 0.908 278 L HN 0.271 nan 8.230 nan 0.000 0.437 279 D N 0.099 120.326 120.400 -0.287 0.000 2.078 279 D HA -0.136 4.505 4.640 0.001 0.000 0.193 279 D C -0.563 175.695 176.300 -0.069 0.000 0.990 279 D CA 1.349 55.239 54.000 -0.182 0.000 0.827 279 D CB -0.645 40.033 40.800 -0.203 0.000 0.975 279 D HN 0.068 nan 8.370 nan 0.000 0.451 280 P HA -0.097 nan 4.420 nan 0.000 0.215 280 P C 1.427 178.667 177.300 -0.100 0.000 1.157 280 P CA 1.188 64.234 63.100 -0.090 0.000 0.868 280 P CB -0.042 31.614 31.700 -0.073 0.000 0.788 281 I N -2.928 117.605 120.570 -0.063 0.000 2.394 281 I HA -0.214 3.957 4.170 0.001 0.000 0.251 281 I C 2.028 178.045 176.117 -0.166 0.000 1.136 281 I CA 1.212 62.447 61.300 -0.109 0.000 1.425 281 I CB -0.551 37.366 38.000 -0.138 0.000 1.079 281 I HN -0.142 nan 8.210 nan 0.000 0.425 282 F N 1.389 121.200 119.950 -0.232 0.000 2.206 282 F HA -0.097 4.430 4.527 0.001 0.000 0.298 282 F C 2.534 178.302 175.800 -0.054 0.000 1.090 282 F CA 1.197 59.096 58.000 -0.168 0.000 1.323 282 F CB -0.222 38.706 39.000 -0.119 0.000 1.028 282 F HN -0.067 nan 8.300 nan 0.000 0.492 283 R N 0.088 120.652 120.500 0.108 0.000 2.090 283 R HA -0.011 4.329 4.340 0.001 0.000 0.228 283 R C 2.308 178.632 176.300 0.041 0.000 1.110 283 R CA 0.832 56.967 56.100 0.057 0.000 0.973 283 R CB -1.337 28.973 30.300 0.017 0.000 0.869 283 R HN 0.328 nan 8.270 nan 0.000 0.440 284 L N -0.290 120.953 121.223 0.034 0.000 2.079 284 L HA -0.120 4.221 4.340 0.001 0.000 0.210 284 L C 2.280 179.232 176.870 0.138 0.000 1.081 284 L CA 1.384 56.250 54.840 0.044 0.000 0.752 284 L CB -0.407 41.652 42.059 0.001 0.000 0.896 284 L HN 0.066 nan 8.230 nan 0.000 0.433 285 F N -0.569 119.302 119.950 -0.132 0.000 2.206 285 F HA -0.162 4.365 4.527 0.001 0.000 0.298 285 F C 2.570 178.290 175.800 -0.135 0.000 1.090 285 F CA 1.062 58.980 58.000 -0.137 0.000 1.323 285 F CB -0.253 38.637 39.000 -0.183 0.000 1.028 285 F HN 0.018 nan 8.300 nan 0.000 0.492 286 T N -0.259 114.343 114.554 0.080 0.000 2.857 286 T HA -0.093 4.258 4.350 0.001 0.000 0.266 286 T C 2.156 176.839 174.700 -0.028 0.000 1.048 286 T CA 1.014 63.122 62.100 0.012 0.000 1.139 286 T CB -0.447 68.441 68.868 0.033 0.000 0.874 286 T HN 0.270 nan 8.240 nan 0.000 0.455 287 A N 1.587 124.395 122.820 -0.020 0.000 1.832 287 A HA 0.053 4.374 4.320 0.001 0.000 0.214 287 A C 2.289 179.825 177.584 -0.079 0.000 1.200 287 A CA 1.091 53.106 52.037 -0.036 0.000 0.610 287 A CB -0.856 18.130 19.000 -0.024 0.000 0.842 287 A HN 0.455 nan 8.150 nan 0.000 0.444 288 I N -0.564 119.946 120.570 -0.100 0.000 2.226 288 I HA -0.263 3.908 4.170 0.001 0.000 0.245 288 I C 2.374 178.296 176.117 -0.324 0.000 1.100 288 I CA 1.189 62.397 61.300 -0.152 0.000 1.374 288 I CB -0.323 37.586 38.000 -0.152 0.000 1.057 288 I HN 0.257 nan 8.210 nan 0.000 0.413 289 M N 0.049 119.447 119.600 -0.336 0.000 2.557 289 M HA -0.112 4.369 4.480 0.001 0.000 0.259 289 M C 1.137 177.057 176.300 -0.634 0.000 1.086 289 M CA 1.432 56.446 55.300 -0.476 0.000 1.096 289 M CB -1.370 31.062 32.600 -0.279 0.000 1.424 289 M HN 0.221 nan 8.290 nan 0.000 0.488 290 N N -0.843 117.601 118.700 -0.428 0.000 2.236 290 N HA 0.097 4.838 4.740 0.001 0.000 0.196 290 N C -0.442 174.973 175.510 -0.158 0.000 1.114 290 N CA 0.059 52.940 53.050 -0.281 0.000 0.859 290 N CB 0.167 38.595 38.487 -0.099 0.000 0.982 290 N HN 0.059 nan 8.380 nan 0.000 0.493 291 F N -0.435 119.505 119.950 -0.017 0.000 3.034 291 F HA -0.270 4.257 4.527 0.001 0.000 0.286 291 F C -0.088 175.704 175.800 -0.013 0.000 0.804 291 F CA 0.194 58.184 58.000 -0.018 0.000 1.161 291 F CB -2.241 36.749 39.000 -0.016 0.000 1.317 291 F HN -0.010 nan 8.300 nan 0.000 0.453 292 K N 1.251 121.709 120.400 0.097 0.000 2.021 292 K HA 0.047 4.367 4.320 0.001 0.000 0.238 292 K C 1.239 177.872 176.600 0.055 0.000 1.149 292 K CA -0.052 56.273 56.287 0.064 0.000 1.105 292 K CB 0.066 32.582 32.500 0.027 0.000 1.246 292 K HN 0.376 nan 8.250 nan 0.000 0.307 293 K N 0.883 121.323 120.400 0.067 0.000 2.286 293 K HA -0.184 4.137 4.320 0.001 0.000 0.203 293 K C 0.771 177.387 176.600 0.026 0.000 1.045 293 K CA 1.165 57.480 56.287 0.047 0.000 0.935 293 K CB 0.106 32.630 32.500 0.039 0.000 0.737 293 K HN 0.437 nan 8.250 nan 0.000 0.460 294 D N 0.766 121.179 120.400 0.022 0.000 2.213 294 D HA -0.079 4.562 4.640 0.001 0.000 0.205 294 D C 1.617 177.922 176.300 0.008 0.000 0.961 294 D CA 0.985 54.993 54.000 0.013 0.000 0.853 294 D CB 0.180 40.987 40.800 0.012 0.000 0.967 294 D HN 0.366 nan 8.370 nan 0.000 0.496 295 E N 0.739 120.943 120.200 0.008 0.000 2.042 295 E HA 0.010 4.361 4.350 0.001 0.000 0.189 295 E C 2.429 179.025 176.600 -0.006 0.000 0.974 295 E CA 0.008 56.408 56.400 -0.000 0.000 0.806 295 E CB 0.129 29.829 29.700 -0.001 0.000 0.769 295 E HN 0.142 nan 8.360 nan 0.000 0.451 296 I N 2.345 122.913 120.570 -0.004 0.000 2.181 296 I HA -0.335 3.836 4.170 0.001 0.000 0.240 296 I C -0.430 175.678 176.117 -0.015 0.000 1.006 296 I CA 1.791 63.085 61.300 -0.011 0.000 1.284 296 I CB -1.818 36.183 38.000 0.002 0.000 0.990 296 I HN 0.200 nan 8.210 nan 0.000 0.408 297 P HA -0.106 nan 4.420 nan 0.000 0.214 297 P C 1.958 179.251 177.300 -0.013 0.000 1.162 297 P CA 1.683 64.778 63.100 -0.008 0.000 0.879 297 P CB -0.132 31.567 31.700 -0.001 0.000 0.786 298 V N 0.593 120.500 119.914 -0.011 0.000 2.255 298 V HA -0.224 3.896 4.120 0.001 0.000 0.247 298 V C 2.809 178.890 176.094 -0.022 0.000 1.051 298 V CA 1.826 64.118 62.300 -0.013 0.000 1.018 298 V CB -1.559 30.259 31.823 -0.009 0.000 0.641 298 V HN 0.016 nan 8.190 nan 0.000 0.445 299 L N -0.701 120.504 121.223 -0.029 0.000 2.083 299 L HA -0.131 4.210 4.340 0.001 0.000 0.209 299 L C 2.149 178.979 176.870 -0.068 0.000 1.083 299 L CA 1.768 56.580 54.840 -0.047 0.000 0.752 299 L CB -0.576 41.453 42.059 -0.050 0.000 0.899 299 L HN 0.186 nan 8.230 nan 0.000 0.433 300 L N -0.190 120.999 121.223 -0.057 0.000 2.005 300 L HA -0.205 4.135 4.340 0.001 0.000 0.207 300 L C 2.627 179.469 176.870 -0.045 0.000 1.072 300 L CA 2.079 56.883 54.840 -0.061 0.000 0.744 300 L CB -0.819 41.217 42.059 -0.038 0.000 0.895 300 L HN 0.493 nan 8.230 nan 0.000 0.433 301 E N -0.606 119.578 120.200 -0.027 0.000 2.118 301 E HA -0.269 4.081 4.350 0.001 0.000 0.195 301 E C 2.084 178.674 176.600 -0.017 0.000 0.992 301 E CA 1.165 57.555 56.400 -0.016 0.000 0.804 301 E CB 0.077 29.772 29.700 -0.010 0.000 0.741 301 E HN 0.421 nan 8.360 nan 0.000 0.458 302 K N 0.271 120.655 120.400 -0.026 0.000 1.980 302 K HA -0.206 4.115 4.320 0.001 0.000 0.223 302 K C 2.290 178.878 176.600 -0.020 0.000 1.052 302 K CA 2.168 58.442 56.287 -0.022 0.000 0.974 302 K CB -0.451 32.032 32.500 -0.029 0.000 0.734 302 K HN 0.216 nan 8.250 nan 0.000 0.447 303 L N 0.550 121.749 121.223 -0.041 0.000 2.187 303 L HA -0.131 4.210 4.340 0.001 0.000 0.213 303 L C 0.004 176.891 176.870 0.029 0.000 1.100 303 L CA 0.958 55.790 54.840 -0.013 0.000 0.765 303 L CB -0.650 41.331 42.059 -0.130 0.000 0.904 303 L HN 0.399 nan 8.230 nan 0.000 0.437 304 E N 0.167 120.370 120.200 0.005 0.000 2.300 304 E HA -0.115 4.235 4.350 0.001 0.000 0.238 304 E C -0.754 175.869 176.600 0.039 0.000 1.186 304 E CA -0.143 56.269 56.400 0.021 0.000 0.717 304 E CB -1.096 28.621 29.700 0.027 0.000 1.212 304 E HN 0.173 nan 8.360 nan 0.000 0.415 305 I N 2.023 122.605 120.570 0.020 0.000 2.317 305 I HA 0.104 4.275 4.170 0.001 0.000 0.286 305 I C 0.853 176.985 176.117 0.025 0.000 1.119 305 I CA -0.690 60.632 61.300 0.037 0.000 1.228 305 I CB 0.281 38.288 38.000 0.012 0.000 1.476 305 I HN 0.124 nan 8.210 nan 0.000 0.514 306 V N 4.931 124.863 119.914 0.031 0.000 2.403 306 V HA 0.269 4.390 4.120 0.001 0.000 0.265 306 V C 0.502 176.611 176.094 0.025 0.000 1.034 306 V CA -0.514 61.799 62.300 0.023 0.000 1.036 306 V CB -0.097 31.739 31.823 0.022 0.000 1.032 306 V HN 0.368 nan 8.190 nan 0.000 0.478 307 L N 4.945 126.180 121.223 0.019 0.000 2.439 307 L HA 0.331 4.671 4.340 0.001 0.000 0.269 307 L C 1.196 178.077 176.870 0.018 0.000 1.179 307 L CA -0.288 54.564 54.840 0.020 0.000 0.828 307 L CB 0.495 42.562 42.059 0.014 0.000 1.106 307 L HN 0.560 nan 8.230 nan 0.000 0.467 308 K N 2.754 123.166 120.400 0.019 0.000 3.226 308 K HA 0.149 4.470 4.320 0.001 0.000 0.268 308 K C 0.996 177.603 176.600 0.013 0.000 1.217 308 K CA 0.594 56.891 56.287 0.017 0.000 1.242 308 K CB -0.208 32.303 32.500 0.019 0.000 1.389 308 K HN 0.942 nan 8.250 nan 0.000 0.406 309 G N 1.990 110.797 108.800 0.011 0.000 4.862 309 G HA2 -0.492 3.469 3.960 0.001 0.000 0.344 309 G HA3 -0.492 3.469 3.960 0.001 0.000 0.344 309 G C 1.097 176.001 174.900 0.007 0.000 1.365 309 G CA 0.728 45.833 45.100 0.008 0.000 1.066 309 G HN 0.475 nan 8.290 nan 0.000 0.808 310 D N 1.701 122.105 120.400 0.007 0.000 2.228 310 D HA -0.056 4.585 4.640 0.001 0.000 0.203 310 D C 2.341 178.645 176.300 0.007 0.000 0.988 310 D CA 1.932 55.936 54.000 0.006 0.000 0.864 310 D CB -0.388 40.416 40.800 0.006 0.000 0.928 310 D HN 0.751 nan 8.370 nan 0.000 0.469 311 E N -0.421 119.785 120.200 0.010 0.000 2.274 311 E HA -0.091 4.260 4.350 0.001 0.000 0.194 311 E C 2.037 178.642 176.600 0.010 0.000 0.996 311 E CA 0.333 56.739 56.400 0.011 0.000 0.840 311 E CB 0.146 29.855 29.700 0.016 0.000 0.772 311 E HN 0.262 nan 8.360 nan 0.000 0.491 312 K N 1.464 121.869 120.400 0.009 0.000 2.026 312 K HA -0.179 4.141 4.320 0.001 0.000 0.208 312 K C 1.811 178.415 176.600 0.008 0.000 1.048 312 K CA 1.798 58.090 56.287 0.008 0.000 0.929 312 K CB -0.386 32.117 32.500 0.006 0.000 0.713 312 K HN 0.276 nan 8.250 nan 0.000 0.439 313 D N 0.577 120.980 120.400 0.005 0.000 2.310 313 D HA -0.101 4.539 4.640 0.001 0.000 0.212 313 D C 0.664 176.967 176.300 0.006 0.000 0.965 313 D CA 0.296 54.297 54.000 0.002 0.000 0.879 313 D CB -0.264 40.534 40.800 -0.003 0.000 0.921 313 D HN 0.032 nan 8.370 nan 0.000 0.510 314 L N 0.822 122.051 121.223 0.010 0.000 2.490 314 L HA 0.214 4.555 4.340 0.001 0.000 0.274 314 L C 0.502 177.395 176.870 0.039 0.000 1.201 314 L CA 0.527 55.377 54.840 0.017 0.000 0.869 314 L CB 0.385 42.450 42.059 0.010 0.000 1.123 314 L HN 0.154 nan 8.230 nan 0.000 0.484 315 E N 0.905 121.145 120.200 0.067 0.000 2.416 315 E HA 0.627 4.977 4.350 0.001 0.000 0.273 315 E C 0.049 176.785 176.600 0.227 0.000 0.935 315 E CA -0.393 56.112 56.400 0.176 0.000 0.784 315 E CB 2.106 31.910 29.700 0.174 0.000 1.301 315 E HN 0.727 nan 8.360 nan 0.000 0.454 316 G N 1.313 110.314 108.800 0.335 0.000 2.601 316 G HA2 -0.362 3.599 3.960 0.001 0.000 0.252 316 G HA3 -0.362 3.599 3.960 0.001 0.000 0.252 316 G C 0.538 175.409 174.900 -0.049 0.000 1.294 316 G CA 0.350 45.526 45.100 0.126 0.000 0.912 316 G HN 0.572 nan 8.290 nan 0.000 0.574 317 K N 0.128 120.482 120.400 -0.076 0.000 2.113 317 K HA -0.087 4.233 4.320 0.001 0.000 0.208 317 K C 3.080 179.593 176.600 -0.146 0.000 1.047 317 K CA 2.050 58.242 56.287 -0.159 0.000 0.928 317 K CB -0.421 32.004 32.500 -0.124 0.000 0.716 317 K HN 0.808 nan 8.250 nan 0.000 0.446 318 A N 1.413 124.194 122.820 -0.063 0.000 1.948 318 A HA -0.191 4.130 4.320 0.001 0.000 0.220 318 A C 2.090 179.647 177.584 -0.046 0.000 1.177 318 A CA 1.405 53.416 52.037 -0.044 0.000 0.636 318 A CB -0.443 18.553 19.000 -0.007 0.000 0.815 318 A HN 0.261 nan 8.150 nan 0.000 0.449 319 L N -1.074 120.124 121.223 -0.041 0.000 2.049 319 L HA 0.018 4.358 4.340 0.001 0.000 0.203 319 L C 2.193 179.016 176.870 -0.078 0.000 1.074 319 L CA 1.927 56.745 54.840 -0.037 0.000 0.749 319 L CB -0.741 41.312 42.059 -0.010 0.000 0.907 319 L HN 0.300 nan 8.230 nan 0.000 0.439 320 L N 0.045 121.177 121.223 -0.152 0.000 2.081 320 L HA -0.237 4.103 4.340 0.001 0.000 0.212 320 L C 2.389 179.160 176.870 -0.164 0.000 1.080 320 L CA 1.878 56.581 54.840 -0.228 0.000 0.754 320 L CB -0.814 40.984 42.059 -0.435 0.000 0.893 320 L HN 0.304 nan 8.230 nan 0.000 0.433 321 K N -1.462 118.829 120.400 -0.180 0.000 2.211 321 K HA -0.068 4.252 4.320 0.001 0.000 0.203 321 K C 1.854 178.474 176.600 0.032 0.000 1.050 321 K CA 1.249 57.483 56.287 -0.089 0.000 0.945 321 K CB -0.060 32.354 32.500 -0.144 0.000 0.732 321 K HN 0.293 nan 8.250 nan 0.000 0.451 322 V N 0.395 120.314 119.914 0.009 0.000 2.649 322 V HA -0.135 3.985 4.120 0.001 0.000 0.248 322 V C 2.083 178.216 176.094 0.065 0.000 1.054 322 V CA 0.991 63.316 62.300 0.041 0.000 1.073 322 V CB 0.149 31.984 31.823 0.020 0.000 0.699 322 V HN 0.025 nan 8.190 nan 0.000 0.463 323 V N -0.557 119.384 119.914 0.045 0.000 2.307 323 V HA -0.222 3.898 4.120 0.001 0.000 0.245 323 V C 2.481 178.668 176.094 0.155 0.000 1.045 323 V CA 1.612 63.950 62.300 0.062 0.000 1.024 323 V CB -0.591 31.232 31.823 -0.000 0.000 0.651 323 V HN 0.386 nan 8.190 nan 0.000 0.449 324 M N -0.480 119.223 119.600 0.172 0.000 2.296 324 M HA -0.073 4.407 4.480 0.001 0.000 0.265 324 M C 2.244 178.745 176.300 0.335 0.000 1.064 324 M CA 1.420 56.887 55.300 0.278 0.000 1.109 324 M CB -1.185 31.548 32.600 0.221 0.000 1.396 324 M HN 0.309 nan 8.290 nan 0.000 0.430 325 R N 0.128 120.783 120.500 0.258 0.000 2.066 325 R HA -0.090 4.251 4.340 0.001 0.000 0.232 325 R C 2.199 178.607 176.300 0.179 0.000 1.131 325 R CA 1.160 57.391 56.100 0.219 0.000 0.955 325 R CB -0.066 30.328 30.300 0.157 0.000 0.851 325 R HN 0.372 nan 8.270 nan 0.000 0.432 326 K N -0.478 120.023 120.400 0.169 0.000 2.167 326 K HA -0.075 4.245 4.320 0.001 0.000 0.203 326 K C 1.817 178.535 176.600 0.196 0.000 1.052 326 K CA 0.785 57.160 56.287 0.146 0.000 0.956 326 K CB -0.107 32.465 32.500 0.120 0.000 0.735 326 K HN 0.032 nan 8.250 nan 0.000 0.451 327 F N 1.393 121.387 119.950 0.073 0.000 2.060 327 F HA -0.003 4.524 4.527 0.001 0.000 0.295 327 F C 0.536 176.383 175.800 0.078 0.000 1.120 327 F CA 1.163 59.203 58.000 0.066 0.000 1.205 327 F CB 0.086 39.124 39.000 0.064 0.000 0.986 327 F HN -0.207 nan 8.300 nan 0.000 0.470 328 L N 1.702 122.880 121.223 -0.075 0.000 2.433 328 L HA 0.337 4.677 4.340 0.001 0.000 0.256 328 L C -2.530 174.417 176.870 0.129 0.000 1.063 328 L CA -1.923 52.840 54.840 -0.130 0.000 0.922 328 L CB 1.217 43.209 42.059 -0.111 0.000 1.238 328 L HN -0.131 nan 8.230 nan 0.000 0.466 329 P HA 0.022 nan 4.420 nan 0.000 0.263 329 P C 0.822 178.171 177.300 0.082 0.000 1.247 329 P CA 0.184 63.339 63.100 0.092 0.000 0.876 329 P CB 1.200 32.929 31.700 0.049 0.000 0.928 330 A N 5.742 128.631 122.820 0.115 0.000 1.881 330 A HA -0.311 4.009 4.320 0.001 0.000 0.219 330 A C 2.246 179.834 177.584 0.007 0.000 1.215 330 A CA 2.615 54.682 52.037 0.051 0.000 0.648 330 A CB -1.665 17.348 19.000 0.023 0.000 0.832 330 A HN 0.456 nan 8.150 nan 0.000 0.455 331 A N -0.264 122.565 122.820 0.016 0.000 1.971 331 A HA -0.333 3.988 4.320 0.001 0.000 0.222 331 A C 1.681 179.261 177.584 -0.007 0.000 1.182 331 A CA 2.567 54.606 52.037 0.004 0.000 0.649 331 A CB -1.010 18.002 19.000 0.020 0.000 0.818 331 A HN 0.646 nan 8.150 nan 0.000 0.458 332 D N -0.530 119.869 120.400 -0.003 0.000 2.103 332 D HA 0.152 4.792 4.640 0.001 0.000 0.199 332 D C 2.272 178.554 176.300 -0.029 0.000 0.978 332 D CA 1.279 55.270 54.000 -0.016 0.000 0.829 332 D CB -0.280 40.512 40.800 -0.014 0.000 0.981 332 D HN 0.451 nan 8.370 nan 0.000 0.464 333 A N 0.588 123.392 122.820 -0.025 0.000 1.948 333 A HA -0.176 4.145 4.320 0.001 0.000 0.220 333 A C 2.119 179.668 177.584 -0.059 0.000 1.177 333 A CA 1.138 53.155 52.037 -0.032 0.000 0.636 333 A CB -0.803 18.184 19.000 -0.021 0.000 0.815 333 A HN 0.210 nan 8.150 nan 0.000 0.449 334 L N -1.023 120.161 121.223 -0.065 0.000 2.072 334 L HA -0.087 4.254 4.340 0.001 0.000 0.205 334 L C 2.347 179.178 176.870 -0.065 0.000 1.079 334 L CA 0.835 55.629 54.840 -0.077 0.000 0.752 334 L CB -0.544 41.472 42.059 -0.072 0.000 0.906 334 L HN 0.335 nan 8.230 nan 0.000 0.436 335 L N -0.369 120.821 121.223 -0.054 0.000 2.362 335 L HA -0.138 4.203 4.340 0.001 0.000 0.219 335 L C 2.505 179.321 176.870 -0.090 0.000 1.134 335 L CA 0.657 55.459 54.840 -0.062 0.000 0.807 335 L CB -0.424 41.609 42.059 -0.044 0.000 0.927 335 L HN 0.367 nan 8.230 nan 0.000 0.447 336 E N 0.946 121.100 120.200 -0.077 0.000 2.001 336 E HA -0.215 4.136 4.350 0.001 0.000 0.193 336 E C 2.315 178.849 176.600 -0.110 0.000 0.994 336 E CA 1.227 57.574 56.400 -0.089 0.000 0.815 336 E CB -0.035 29.635 29.700 -0.051 0.000 0.770 336 E HN 0.361 nan 8.360 nan 0.000 0.453 337 M N 0.699 120.279 119.600 -0.035 0.000 2.110 337 M HA -0.245 4.235 4.480 0.001 0.000 0.257 337 M C 2.413 178.707 176.300 -0.010 0.000 1.071 337 M CA 1.357 56.715 55.300 0.097 0.000 1.096 337 M CB -0.619 32.030 32.600 0.081 0.000 1.300 337 M HN 0.227 nan 8.290 nan 0.000 0.411 338 I N 0.347 120.880 120.570 -0.061 0.000 2.093 338 I HA -0.321 3.850 4.170 0.001 0.000 0.239 338 I C 2.493 178.509 176.117 -0.170 0.000 1.026 338 I CA 1.838 63.083 61.300 -0.091 0.000 1.295 338 I CB -1.619 36.325 38.000 -0.093 0.000 1.007 338 I HN 0.179 nan 8.210 nan 0.000 0.401 339 V N 0.925 120.677 119.914 -0.271 0.000 2.237 339 V HA -0.257 3.863 4.120 0.001 0.000 0.245 339 V C 2.605 178.416 176.094 -0.472 0.000 1.046 339 V CA 1.763 63.770 62.300 -0.488 0.000 1.007 339 V CB -0.727 30.715 31.823 -0.636 0.000 0.638 339 V HN 0.350 nan 8.190 nan 0.000 0.445 340 L N -0.871 120.081 121.223 -0.452 0.000 2.191 340 L HA -0.141 4.199 4.340 0.001 0.000 0.212 340 L C 2.435 178.940 176.870 -0.609 0.000 1.103 340 L CA 1.322 55.836 54.840 -0.544 0.000 0.769 340 L CB -0.670 41.000 42.059 -0.648 0.000 0.908 340 L HN 0.511 nan 8.230 nan 0.000 0.438 341 H N -1.239 117.756 119.070 -0.125 0.000 2.247 341 H HA 0.270 4.827 4.556 0.001 0.000 0.267 341 H C 0.974 176.251 175.328 -0.085 0.000 0.952 341 H CA -0.499 55.494 56.048 -0.092 0.000 1.250 341 H CB -0.124 29.584 29.762 -0.091 0.000 1.441 341 H HN 0.036 nan 8.280 nan 0.000 0.553 342 L N 4.814 126.053 121.223 0.027 0.000 2.605 342 L HA -0.028 4.313 4.340 0.001 0.000 0.296 342 L C -1.917 174.941 176.870 -0.022 0.000 1.255 342 L CA -0.853 53.983 54.840 -0.008 0.000 0.879 342 L CB -0.096 41.942 42.059 -0.035 0.000 1.124 342 L HN 0.075 nan 8.230 nan 0.000 0.507 343 P HA 0.159 nan 4.420 nan 0.000 0.281 343 P C -0.848 176.456 177.300 0.007 0.000 1.249 343 P CA -0.572 62.540 63.100 0.020 0.000 0.810 343 P CB 1.604 33.342 31.700 0.063 0.000 1.008 344 S N 1.324 117.030 115.700 0.011 0.000 2.707 344 S HA 0.459 4.929 4.470 0.001 0.000 0.276 344 S C -2.233 172.362 174.600 -0.008 0.000 1.179 344 S CA -1.562 56.643 58.200 0.009 0.000 0.992 344 S CB -0.024 63.195 63.200 0.030 0.000 1.030 344 S HN 0.242 nan 8.310 nan 0.000 0.554 345 P HA 0.295 nan 4.420 nan 0.000 0.246 345 P C -0.016 177.260 177.300 -0.039 0.000 1.686 345 P CA 0.060 63.133 63.100 -0.045 0.000 0.867 345 P CB -0.009 31.648 31.700 -0.072 0.000 1.733 346 V N -2.177 117.718 119.914 -0.032 0.000 3.165 346 V HA -0.064 4.056 4.120 0.001 0.000 0.231 346 V C 1.984 178.056 176.094 -0.038 0.000 1.365 346 V CA 1.085 63.369 62.300 -0.026 0.000 1.286 346 V CB -0.441 31.378 31.823 -0.006 0.000 1.081 346 V HN 0.085 nan 8.190 nan 0.000 0.477 347 T N 1.075 115.615 114.554 -0.023 0.000 2.812 347 T HA -0.030 4.320 4.350 0.001 0.000 0.264 347 T C 1.972 176.591 174.700 -0.135 0.000 1.042 347 T CA 1.607 63.713 62.100 0.010 0.000 1.140 347 T CB -0.255 68.663 68.868 0.083 0.000 0.870 347 T HN 0.463 nan 8.240 nan 0.000 0.445 348 A N 1.691 124.347 122.820 -0.273 0.000 1.897 348 A HA -0.058 4.263 4.320 0.001 0.000 0.215 348 A C 2.309 179.422 177.584 -0.785 0.000 1.181 348 A CA 0.904 52.485 52.037 -0.761 0.000 0.620 348 A CB -0.567 18.256 19.000 -0.295 0.000 0.821 348 A HN 0.494 nan 8.150 nan 0.000 0.443 349 Q N -0.475 119.135 119.800 -0.316 0.000 2.364 349 Q HA -0.061 4.280 4.340 0.001 0.000 0.207 349 Q C 2.217 178.108 176.000 -0.181 0.000 0.970 349 Q CA 0.943 56.649 55.803 -0.162 0.000 0.888 349 Q CB -0.326 28.419 28.738 0.011 0.000 0.951 349 Q HN 0.695 nan 8.270 nan 0.000 0.469 350 A N 0.934 123.629 122.820 -0.209 0.000 1.929 350 A HA -0.160 4.160 4.320 0.001 0.000 0.216 350 A C 1.524 179.093 177.584 -0.026 0.000 1.176 350 A CA 1.136 53.123 52.037 -0.082 0.000 0.628 350 A CB -0.420 18.574 19.000 -0.009 0.000 0.816 350 A HN 0.590 nan 8.150 nan 0.000 0.444 351 Y N -3.618 116.685 120.300 0.005 0.000 2.531 351 Y HA 0.609 5.160 4.550 0.001 0.000 0.249 351 Y C 1.531 177.426 175.900 -0.008 0.000 1.168 351 Y CA -0.311 57.788 58.100 -0.002 0.000 1.226 351 Y CB -0.089 38.370 38.460 -0.001 0.000 1.177 351 Y HN 0.093 nan 8.280 nan 0.000 0.527 352 R N -0.103 120.310 120.500 -0.145 0.000 2.394 352 R HA 0.396 4.736 4.340 0.001 0.000 0.220 352 R C 2.157 178.395 176.300 -0.104 0.000 0.887 352 R CA 0.758 56.812 56.100 -0.076 0.000 1.034 352 R CB 0.187 30.392 30.300 -0.158 0.000 1.179 352 R HN 0.351 nan 8.270 nan 0.000 0.561 353 A N 1.681 124.432 122.820 -0.115 0.000 1.849 353 A HA -0.260 4.060 4.320 0.001 0.000 0.217 353 A C 1.711 179.257 177.584 -0.065 0.000 1.202 353 A CA 1.864 53.826 52.037 -0.125 0.000 0.629 353 A CB -0.580 18.364 19.000 -0.093 0.000 0.834 353 A HN 0.394 nan 8.150 nan 0.000 0.447 354 E N -0.974 119.216 120.200 -0.016 0.000 2.147 354 E HA -0.299 4.051 4.350 0.001 0.000 0.199 354 E C 2.231 178.837 176.600 0.009 0.000 1.005 354 E CA 1.516 57.928 56.400 0.021 0.000 0.810 354 E CB -0.193 29.520 29.700 0.022 0.000 0.736 354 E HN 0.792 nan 8.360 nan 0.000 0.460 355 Q N 0.141 119.932 119.800 -0.014 0.000 2.230 355 Q HA -0.070 4.270 4.340 0.001 0.000 0.202 355 Q C 1.813 177.775 176.000 -0.064 0.000 0.963 355 Q CA 0.652 56.439 55.803 -0.027 0.000 0.866 355 Q CB 0.248 28.978 28.738 -0.013 0.000 0.931 355 Q HN 0.315 nan 8.270 nan 0.000 0.452 356 L N -0.659 120.498 121.223 -0.111 0.000 2.585 356 L HA 0.148 4.488 4.340 0.001 0.000 0.226 356 L C -0.074 176.747 176.870 -0.081 0.000 1.113 356 L CA -0.240 54.489 54.840 -0.186 0.000 0.876 356 L CB 0.373 42.172 42.059 -0.434 0.000 1.072 356 L HN 0.127 nan 8.230 nan 0.000 0.468 357 Y N 1.114 121.323 120.300 -0.152 0.000 2.331 357 Y HA 0.216 4.766 4.550 0.001 0.000 0.338 357 Y C 0.761 176.621 175.900 -0.067 0.000 0.992 357 Y CA -0.975 57.070 58.100 -0.093 0.000 1.121 357 Y CB 0.921 39.328 38.460 -0.088 0.000 1.184 357 Y HN 0.031 nan 8.280 nan 0.000 0.469 358 E N 3.853 123.737 120.200 -0.526 0.000 2.335 358 E HA 0.212 4.562 4.350 0.001 0.000 0.191 358 E C 0.390 176.611 176.600 -0.631 0.000 1.077 358 E CA -0.094 56.065 56.400 -0.403 0.000 1.010 358 E CB 0.324 29.896 29.700 -0.214 0.000 1.141 358 E HN 0.845 nan 8.360 nan 0.000 0.452 359 G N 1.488 109.697 108.800 -0.985 0.000 3.107 359 G HA2 0.387 4.348 3.960 0.001 0.000 0.232 359 G HA3 0.387 4.348 3.960 0.001 0.000 0.232 359 G C -2.702 172.056 174.900 -0.237 0.000 1.339 359 G CA -1.325 43.227 45.100 -0.912 0.000 1.033 359 G HN -0.122 nan 8.290 nan 0.000 0.567 360 P HA 0.280 nan 4.420 nan 0.000 0.266 360 P C 0.494 177.858 177.300 0.105 0.000 1.215 360 P CA 0.157 63.275 63.100 0.029 0.000 0.763 360 P CB 1.308 33.030 31.700 0.037 0.000 0.806 361 A N 3.360 126.215 122.820 0.058 0.000 2.272 361 A HA -0.154 4.166 4.320 0.001 0.000 0.213 361 A C 0.846 178.444 177.584 0.024 0.000 1.183 361 A CA 1.591 53.659 52.037 0.051 0.000 0.719 361 A CB -0.883 18.133 19.000 0.027 0.000 0.771 361 A HN 0.619 nan 8.150 nan 0.000 0.484 362 D N -1.925 118.489 120.400 0.023 0.000 2.520 362 D HA 0.163 4.804 4.640 0.001 0.000 0.223 362 D C 0.203 176.506 176.300 0.005 0.000 1.186 362 D CA -0.166 53.837 54.000 0.007 0.000 0.821 362 D CB -0.380 40.425 40.800 0.009 0.000 1.072 362 D HN 0.313 nan 8.370 nan 0.000 0.518 363 D N 0.369 120.784 120.400 0.025 0.000 2.443 363 D HA 0.186 4.827 4.640 0.001 0.000 0.234 363 D C 1.643 177.922 176.300 -0.035 0.000 1.172 363 D CA 0.575 54.596 54.000 0.035 0.000 0.878 363 D CB 1.071 41.956 40.800 0.141 0.000 1.204 363 D HN 0.067 nan 8.370 nan 0.000 0.453 364 A N 3.206 126.017 122.820 -0.016 0.000 1.986 364 A HA -0.284 4.037 4.320 0.001 0.000 0.220 364 A C 1.841 179.372 177.584 -0.088 0.000 1.171 364 A CA 2.037 54.053 52.037 -0.035 0.000 0.640 364 A CB -0.669 18.327 19.000 -0.007 0.000 0.811 364 A HN 0.749 nan 8.150 nan 0.000 0.451 365 N N -1.079 117.527 118.700 -0.155 0.000 2.197 365 N HA -0.089 4.652 4.740 0.001 0.000 0.184 365 N C 1.660 176.928 175.510 -0.403 0.000 1.030 365 N CA 1.201 54.093 53.050 -0.263 0.000 0.851 365 N CB -0.791 37.510 38.487 -0.310 0.000 1.003 365 N HN 0.507 nan 8.380 nan 0.000 0.430 366 C N 0.871 119.798 119.300 -0.622 0.000 2.398 366 C HA -0.080 4.381 4.460 0.001 0.000 0.279 366 C C 2.343 177.203 174.990 -0.217 0.000 1.250 366 C CA 0.695 59.421 59.018 -0.487 0.000 1.786 366 C CB -1.322 26.262 27.740 -0.260 0.000 2.018 366 C HN 0.378 nan 8.230 nan 0.000 0.494 367 I N 1.135 121.612 120.570 -0.155 0.000 2.193 367 I HA -0.108 4.062 4.170 0.001 0.000 0.240 367 I C 2.877 178.947 176.117 -0.078 0.000 1.084 367 I CA 1.528 62.777 61.300 -0.086 0.000 1.365 367 I CB -0.764 37.202 38.000 -0.057 0.000 1.064 367 I HN 0.337 nan 8.210 nan 0.000 0.410 368 A N 1.117 123.883 122.820 -0.089 0.000 2.084 368 A HA -0.176 4.144 4.320 0.001 0.000 0.221 368 A C 2.229 179.786 177.584 -0.045 0.000 1.161 368 A CA 1.394 53.395 52.037 -0.059 0.000 0.653 368 A CB -0.637 18.328 19.000 -0.058 0.000 0.802 368 A HN 0.369 nan 8.150 nan 0.000 0.457 369 I N -0.661 119.863 120.570 -0.077 0.000 2.235 369 I HA -0.161 4.009 4.170 0.001 0.000 0.241 369 I C 2.279 178.386 176.117 -0.017 0.000 1.085 369 I CA 1.416 62.696 61.300 -0.034 0.000 1.378 369 I CB -1.236 36.695 38.000 -0.116 0.000 1.076 369 I HN 0.333 nan 8.210 nan 0.000 0.415 370 K N 1.005 121.376 120.400 -0.048 0.000 2.032 370 K HA -0.147 4.174 4.320 0.001 0.000 0.209 370 K C 1.521 178.106 176.600 -0.024 0.000 1.048 370 K CA 1.374 57.638 56.287 -0.038 0.000 0.927 370 K CB -0.123 32.357 32.500 -0.033 0.000 0.712 370 K HN 0.321 nan 8.250 nan 0.000 0.441 371 N N 0.490 119.178 118.700 -0.021 0.000 2.461 371 N HA -0.065 4.676 4.740 0.001 0.000 0.188 371 N C 0.179 175.684 175.510 -0.009 0.000 1.134 371 N CA 0.398 53.440 53.050 -0.014 0.000 0.878 371 N CB -0.234 38.244 38.487 -0.015 0.000 0.972 371 N HN 0.196 nan 8.380 nan 0.000 0.456 372 C N 2.404 121.703 119.300 -0.001 0.000 3.744 372 C HA -0.241 4.220 4.460 0.001 0.000 0.288 372 C C 0.171 175.158 174.990 -0.003 0.000 1.423 372 C CA -0.304 58.718 59.018 0.007 0.000 2.060 372 C CB -2.510 25.229 27.740 -0.003 0.000 1.337 372 C HN 0.396 nan 8.230 nan 0.000 0.640 373 D N 1.493 121.890 120.400 -0.005 0.000 2.343 373 D HA 0.289 4.929 4.640 0.001 0.000 0.255 373 D C -0.500 175.795 176.300 -0.008 0.000 1.187 373 D CA -1.982 52.013 54.000 -0.009 0.000 0.875 373 D CB 0.988 41.781 40.800 -0.012 0.000 1.136 373 D HN 0.391 nan 8.370 nan 0.000 0.469 374 P HA 0.006 nan 4.420 nan 0.000 0.249 374 P C 0.429 177.722 177.300 -0.011 0.000 1.229 374 P CA 0.202 63.295 63.100 -0.013 0.000 0.788 374 P CB 0.492 32.181 31.700 -0.018 0.000 1.072 375 K N -0.412 119.982 120.400 -0.010 0.000 2.335 375 K HA 0.233 4.554 4.320 0.001 0.000 0.195 375 K C 1.430 178.026 176.600 -0.008 0.000 1.058 375 K CA 0.127 56.409 56.287 -0.009 0.000 0.988 375 K CB -0.112 32.382 32.500 -0.009 0.000 0.880 375 K HN 0.064 nan 8.250 nan 0.000 0.513 376 A N 2.096 124.911 122.820 -0.008 0.000 2.346 376 A HA 0.037 4.358 4.320 0.001 0.000 0.255 376 A C -0.061 177.521 177.584 -0.003 0.000 1.113 376 A CA -0.118 51.914 52.037 -0.008 0.000 0.798 376 A CB -0.010 18.981 19.000 -0.015 0.000 1.073 376 A HN 0.144 nan 8.150 nan 0.000 0.502 377 D N -0.250 120.149 120.400 -0.002 0.000 2.443 377 D HA 0.183 4.824 4.640 0.001 0.000 0.239 377 D C 0.166 176.475 176.300 0.015 0.000 1.136 377 D CA 0.098 54.102 54.000 0.007 0.000 0.879 377 D CB 0.519 41.326 40.800 0.012 0.000 1.195 377 D HN 0.364 nan 8.370 nan 0.000 0.443 378 L N 2.500 123.735 121.223 0.019 0.000 2.514 378 L HA -0.028 4.313 4.340 0.001 0.000 0.280 378 L C -0.065 176.841 176.870 0.059 0.000 1.223 378 L CA 0.820 55.679 54.840 0.031 0.000 0.864 378 L CB 0.130 42.202 42.059 0.021 0.000 1.118 378 L HN 0.296 nan 8.230 nan 0.000 0.494 379 M N 7.196 126.849 119.600 0.088 0.000 2.297 379 M HA 0.275 4.755 4.480 0.001 0.000 0.241 379 M C -1.216 175.213 176.300 0.214 0.000 1.106 379 M CA -0.104 55.286 55.300 0.151 0.000 0.809 379 M CB 0.715 33.396 32.600 0.136 0.000 2.236 379 M HN 0.498 nan 8.290 nan 0.000 0.362 380 L N 1.782 123.110 121.223 0.176 0.000 2.296 380 L HA 0.533 4.873 4.340 0.001 0.000 0.286 380 L C -1.411 175.606 176.870 0.246 0.000 1.023 380 L CA -0.714 54.227 54.840 0.168 0.000 0.812 380 L CB 1.510 43.608 42.059 0.065 0.000 1.223 380 L HN 0.544 nan 8.230 nan 0.000 0.421 381 Y N 4.787 125.204 120.300 0.195 0.000 2.341 381 Y HA 0.439 4.989 4.550 0.001 0.000 0.340 381 Y C -0.630 175.339 175.900 0.116 0.000 0.997 381 Y CA -0.503 57.725 58.100 0.214 0.000 1.149 381 Y CB 1.400 40.103 38.460 0.404 0.000 1.171 381 Y HN 0.281 nan 8.280 nan 0.000 0.494 382 V N 7.098 126.781 119.914 -0.384 0.000 2.334 382 V HA 0.078 4.198 4.120 0.001 0.000 0.267 382 V C 0.730 176.638 176.094 -0.311 0.000 1.040 382 V CA 0.476 62.642 62.300 -0.224 0.000 0.866 382 V CB 0.572 32.326 31.823 -0.115 0.000 1.019 382 V HN 0.999 nan 8.190 nan 0.000 0.468 383 S N 4.064 119.794 115.700 0.050 0.000 2.425 383 S HA 0.070 4.541 4.470 0.001 0.000 0.225 383 S C 0.556 175.307 174.600 0.251 0.000 1.024 383 S CA 0.342 58.714 58.200 0.288 0.000 0.951 383 S CB -0.016 63.477 63.200 0.488 0.000 0.796 383 S HN 0.865 nan 8.310 nan 0.000 0.498 384 K N -0.715 119.821 120.400 0.228 0.000 2.625 384 K HA 0.468 4.789 4.320 0.001 0.000 0.284 384 K C -1.602 175.090 176.600 0.153 0.000 0.984 384 K CA -0.915 55.453 56.287 0.136 0.000 0.865 384 K CB 0.668 33.239 32.500 0.119 0.000 1.468 384 K HN -0.090 nan 8.250 nan 0.000 0.407 385 M N 2.641 122.294 119.600 0.088 0.000 2.129 385 M HA 0.338 4.819 4.480 0.001 0.000 0.348 385 M C -0.917 175.525 176.300 0.237 0.000 1.116 385 M CA -0.954 54.449 55.300 0.171 0.000 1.022 385 M CB 1.118 33.773 32.600 0.092 0.000 1.599 385 M HN 0.584 nan 8.290 nan 0.000 0.449 386 V N 6.883 126.923 119.914 0.210 0.000 2.459 386 V HA 0.584 4.705 4.120 0.001 0.000 0.295 386 V C -2.396 173.604 176.094 -0.157 0.000 1.029 386 V CA -2.192 60.140 62.300 0.052 0.000 0.874 386 V CB 2.263 34.068 31.823 -0.030 0.000 0.985 386 V HN 0.593 nan 8.190 nan 0.000 0.438 387 P HA 0.221 nan 4.420 nan 0.000 0.267 387 P C -0.515 176.428 177.300 -0.596 0.000 1.205 387 P CA 0.376 62.955 63.100 -0.869 0.000 0.765 387 P CB 0.430 31.750 31.700 -0.632 0.000 0.828 388 T N -1.544 112.605 114.554 -0.676 0.000 2.940 388 T HA 0.377 4.728 4.350 0.001 0.000 0.288 388 T C 1.272 175.748 174.700 -0.372 0.000 1.045 388 T CA -0.142 61.623 62.100 -0.559 0.000 1.018 388 T CB 1.203 69.523 68.868 -0.913 0.000 1.151 388 T HN 0.246 nan 8.240 nan 0.000 0.529 389 S N -0.212 115.338 115.700 -0.250 0.000 2.395 389 S HA -0.025 4.446 4.470 0.001 0.000 0.225 389 S C 0.830 175.358 174.600 -0.121 0.000 1.027 389 S CA 0.747 58.858 58.200 -0.148 0.000 0.965 389 S CB -0.893 62.259 63.200 -0.079 0.000 0.812 389 S HN 0.873 nan 8.310 nan 0.000 0.482 390 D N 2.223 122.550 120.400 -0.122 0.000 2.479 390 D HA 0.286 4.926 4.640 0.001 0.000 0.253 390 D C 0.210 176.468 176.300 -0.070 0.000 1.278 390 D CA 0.379 54.345 54.000 -0.056 0.000 1.145 390 D CB -0.613 40.195 40.800 0.014 0.000 1.118 390 D HN 0.351 nan 8.370 nan 0.000 0.513 391 K N 1.310 121.676 120.400 -0.057 0.000 1.399 391 K HA -0.149 4.172 4.320 0.001 0.000 0.733 391 K C 0.827 177.382 176.600 -0.075 0.000 1.997 391 K CA 1.280 57.541 56.287 -0.043 0.000 1.105 391 K CB -1.296 31.198 32.500 -0.010 0.000 2.031 391 K HN 0.368 nan 8.250 nan 0.000 0.456 392 G N 0.835 109.620 108.800 -0.025 0.000 3.448 392 G HA2 0.144 4.105 3.960 0.001 0.000 0.261 392 G HA3 0.144 4.105 3.960 0.001 0.000 0.261 392 G C -0.231 174.729 174.900 0.101 0.000 1.173 392 G CA -0.150 44.954 45.100 0.006 0.000 0.835 392 G HN 0.215 nan 8.290 nan 0.000 0.534 393 R N -0.147 120.361 120.500 0.013 0.000 2.615 393 R HA 0.436 4.777 4.340 0.001 0.000 0.270 393 R C -0.959 175.348 176.300 0.012 0.000 1.081 393 R CA -0.069 56.103 56.100 0.120 0.000 1.154 393 R CB 0.530 30.871 30.300 0.069 0.000 1.063 393 R HN 0.164 nan 8.270 nan 0.000 0.519 394 F N 0.464 120.381 119.950 -0.056 0.000 2.551 394 F HA 0.346 4.873 4.527 0.001 0.000 0.316 394 F C -0.350 175.540 175.800 0.149 0.000 1.089 394 F CA -1.094 56.874 58.000 -0.053 0.000 0.915 394 F CB 1.455 40.434 39.000 -0.034 0.000 1.186 394 F HN 0.195 nan 8.300 nan 0.000 0.456 395 Y N 1.595 121.982 120.300 0.145 0.000 2.330 395 Y HA 0.605 5.155 4.550 0.001 0.000 0.336 395 Y C 0.353 176.341 175.900 0.147 0.000 1.036 395 Y CA -2.171 55.999 58.100 0.117 0.000 1.125 395 Y CB 1.136 39.644 38.460 0.080 0.000 1.194 395 Y HN 0.618 nan 8.280 nan 0.000 0.469 396 A N 4.220 127.208 122.820 0.280 0.000 2.440 396 A HA 0.419 4.740 4.320 0.001 0.000 0.251 396 A C -1.123 176.607 177.584 0.244 0.000 1.089 396 A CA -0.148 52.014 52.037 0.209 0.000 0.779 396 A CB -0.261 18.812 19.000 0.122 0.000 1.022 396 A HN 0.582 nan 8.150 nan 0.000 0.492 397 F N 2.312 122.314 119.950 0.087 0.000 2.482 397 F HA 0.681 5.209 4.527 0.001 0.000 0.331 397 F C 0.410 176.259 175.800 0.081 0.000 1.115 397 F CA 0.521 58.569 58.000 0.079 0.000 0.955 397 F CB 1.604 40.651 39.000 0.078 0.000 1.136 397 F HN 0.887 nan 8.300 nan 0.000 0.452 398 G N 5.074 113.479 108.800 -0.658 0.000 2.500 398 G HA2 0.471 4.431 3.960 0.001 0.000 0.299 398 G HA3 0.471 4.431 3.960 0.001 0.000 0.299 398 G C -2.063 172.577 174.900 -0.434 0.000 1.242 398 G CA -1.119 43.742 45.100 -0.399 0.000 0.859 398 G HN 0.765 nan 8.290 nan 0.000 0.481 399 R N -0.765 119.616 120.500 -0.198 0.000 2.673 399 R HA 0.604 4.944 4.340 0.001 0.000 0.281 399 R C -1.539 174.602 176.300 -0.266 0.000 0.991 399 R CA -0.565 55.342 56.100 -0.321 0.000 0.896 399 R CB 2.321 32.311 30.300 -0.516 0.000 1.201 399 R HN 0.388 nan 8.270 nan 0.000 0.457 400 V N 5.699 125.448 119.914 -0.275 0.000 2.339 400 V HA 0.221 4.342 4.120 0.001 0.000 0.261 400 V C 0.325 176.296 176.094 -0.204 0.000 1.058 400 V CA -0.110 62.102 62.300 -0.147 0.000 0.897 400 V CB 0.604 32.369 31.823 -0.097 0.000 1.052 400 V HN 0.759 nan 8.190 nan 0.000 0.480 401 F N 2.721 122.674 119.950 0.004 0.000 2.615 401 F HA 0.461 4.989 4.527 0.001 0.000 0.297 401 F C 1.262 177.045 175.800 -0.028 0.000 1.124 401 F CA 0.794 58.785 58.000 -0.015 0.000 1.451 401 F CB 0.298 39.297 39.000 -0.001 0.000 1.103 401 F HN 0.579 nan 8.300 nan 0.000 0.569 402 A N -1.148 121.751 122.820 0.131 0.000 2.594 402 A HA 0.602 4.922 4.320 0.001 0.000 0.296 402 A C 0.171 177.774 177.584 0.032 0.000 1.061 402 A CA -0.273 51.801 52.037 0.061 0.000 0.689 402 A CB 0.300 19.327 19.000 0.045 0.000 1.280 402 A HN 0.695 nan 8.150 nan 0.000 0.406 403 G N 0.192 108.998 108.800 0.010 0.000 2.645 403 G HA2 0.421 4.382 3.960 0.001 0.000 0.239 403 G HA3 0.421 4.382 3.960 0.001 0.000 0.239 403 G C 0.136 175.032 174.900 -0.006 0.000 1.331 403 G CA 0.459 45.560 45.100 0.002 0.000 0.890 403 G HN 2.856 nan 8.290 nan 0.000 0.572 404 T N -3.639 110.909 114.554 -0.010 0.000 2.921 404 T HA 0.668 5.018 4.350 0.001 0.000 0.297 404 T C -0.358 174.333 174.700 -0.016 0.000 1.013 404 T CA 0.141 62.231 62.100 -0.017 0.000 0.990 404 T CB 1.822 70.678 68.868 -0.020 0.000 1.023 404 T HN 2.036 nan 8.240 nan 0.000 0.447 405 V N 3.321 123.222 119.914 -0.021 0.000 2.644 405 V HA 0.832 4.953 4.120 0.001 0.000 0.295 405 V C -0.814 175.265 176.094 -0.024 0.000 1.053 405 V CA -0.485 61.803 62.300 -0.021 0.000 0.987 405 V CB 1.021 32.830 31.823 -0.024 0.000 1.006 405 V HN 1.168 nan 8.190 nan 0.000 0.472 406 K N 3.337 123.724 120.400 -0.023 0.000 2.543 406 K HA 0.460 4.781 4.320 0.001 0.000 0.255 406 K C -0.770 175.816 176.600 -0.023 0.000 0.934 406 K CA -0.544 55.729 56.287 -0.023 0.000 0.810 406 K CB 1.538 34.026 32.500 -0.020 0.000 1.315 406 K HN 0.443 nan 8.250 nan 0.000 0.433 407 S N 0.878 116.563 115.700 -0.025 0.000 2.642 407 S HA 0.174 4.644 4.470 0.001 0.000 0.308 407 S C 1.360 175.948 174.600 -0.019 0.000 1.255 407 S CA 1.478 59.662 58.200 -0.025 0.000 1.057 407 S CB 0.060 63.245 63.200 -0.025 0.000 0.785 407 S HN 1.068 nan 8.310 nan 0.000 0.500 408 G N 2.215 111.004 108.800 -0.017 0.000 2.363 408 G HA2 -0.322 3.638 3.960 0.001 0.000 0.238 408 G HA3 -0.322 3.638 3.960 0.001 0.000 0.238 408 G C 0.171 175.061 174.900 -0.015 0.000 1.062 408 G CA 0.329 45.421 45.100 -0.013 0.000 0.629 408 G HN 0.824 nan 8.290 nan 0.000 0.514 409 Q N 1.978 121.768 119.800 -0.018 0.000 2.283 409 Q HA 0.256 4.597 4.340 0.001 0.000 0.301 409 Q C 0.694 176.679 176.000 -0.025 0.000 1.063 409 Q CA 0.692 56.483 55.803 -0.020 0.000 0.952 409 Q CB 0.215 28.941 28.738 -0.019 0.000 1.166 409 Q HN 0.678 nan 8.270 nan 0.000 0.381 410 K N 1.944 122.327 120.400 -0.028 0.000 2.234 410 K HA 0.483 4.804 4.320 0.001 0.000 0.282 410 K C -1.031 175.541 176.600 -0.046 0.000 1.039 410 K CA -0.792 55.470 56.287 -0.041 0.000 0.928 410 K CB 1.422 33.898 32.500 -0.040 0.000 1.039 410 K HN 0.296 nan 8.250 nan 0.000 0.470 411 V N 2.552 122.429 119.914 -0.063 0.000 3.074 411 V HA 0.405 4.525 4.120 0.001 0.000 0.314 411 V C -0.369 175.670 176.094 -0.091 0.000 1.117 411 V CA -1.303 60.960 62.300 -0.062 0.000 1.014 411 V CB 2.027 33.822 31.823 -0.047 0.000 1.057 411 V HN 0.761 nan 8.190 nan 0.000 0.438 412 R N 2.123 122.570 120.500 -0.088 0.000 2.221 412 R HA 0.568 4.909 4.340 0.001 0.000 0.327 412 R C -0.927 175.294 176.300 -0.130 0.000 1.033 412 R CA -0.239 55.782 56.100 -0.132 0.000 0.887 412 R CB 0.787 31.000 30.300 -0.144 0.000 1.057 412 R HN 0.544 nan 8.270 nan 0.000 0.455 413 I N 4.107 124.600 120.570 -0.129 0.000 2.307 413 I HA 0.091 4.261 4.170 0.001 0.000 0.287 413 I C 0.110 176.179 176.117 -0.081 0.000 1.054 413 I CA -0.291 60.977 61.300 -0.054 0.000 1.218 413 I CB 0.973 38.980 38.000 0.011 0.000 1.398 413 I HN 0.389 nan 8.210 nan 0.000 0.475 414 Q N 5.537 125.251 119.800 -0.143 0.000 2.377 414 Q HA 0.375 4.716 4.340 0.001 0.000 0.249 414 Q C 0.556 176.568 176.000 0.021 0.000 1.005 414 Q CA -0.475 55.190 55.803 -0.231 0.000 0.912 414 Q CB 1.639 30.220 28.738 -0.261 0.000 1.223 414 Q HN 0.781 nan 8.270 nan 0.000 0.459 415 G N 2.953 111.810 108.800 0.095 0.000 2.621 415 G HA2 0.129 4.089 3.960 0.001 0.000 0.271 415 G HA3 0.129 4.089 3.960 0.001 0.000 0.271 415 G C -1.712 173.290 174.900 0.171 0.000 1.236 415 G CA -1.185 44.016 45.100 0.168 0.000 0.958 415 G HN 0.344 nan 8.290 nan 0.000 0.512 416 P HA -0.149 nan 4.420 nan 0.000 0.216 416 P C 1.468 178.843 177.300 0.126 0.000 1.157 416 P CA 1.226 64.406 63.100 0.134 0.000 0.880 416 P CB 0.199 31.976 31.700 0.129 0.000 0.791 417 N N -2.688 116.092 118.700 0.133 0.000 2.467 417 N HA -0.055 4.685 4.740 0.001 0.000 0.184 417 N C 0.481 176.057 175.510 0.110 0.000 1.106 417 N CA 0.085 53.199 53.050 0.106 0.000 0.892 417 N CB -0.438 38.108 38.487 0.098 0.000 0.969 417 N HN 0.223 nan 8.380 nan 0.000 0.454 418 Y N 1.457 121.761 120.300 0.006 0.000 2.652 418 Y HA 0.085 4.636 4.550 0.001 0.000 0.344 418 Y C -0.060 175.817 175.900 -0.038 0.000 1.254 418 Y CA 0.110 58.194 58.100 -0.027 0.000 1.480 418 Y CB 0.571 39.013 38.460 -0.030 0.000 1.345 418 Y HN -0.287 nan 8.280 nan 0.000 0.617 419 V N 8.151 127.466 119.914 -0.997 0.000 2.653 419 V HA 0.148 4.269 4.120 0.001 0.000 0.298 419 V C -1.886 173.513 176.094 -1.157 0.000 1.097 419 V CA -1.375 60.427 62.300 -0.831 0.000 0.908 419 V CB 1.821 33.423 31.823 -0.368 0.000 1.024 419 V HN 0.643 nan 8.190 nan 0.000 0.435 420 P HA -0.258 nan 4.420 nan 0.000 0.222 420 P C 1.575 178.668 177.300 -0.344 0.000 1.154 420 P CA 2.273 65.015 63.100 -0.597 0.000 0.874 420 P CB 0.272 31.652 31.700 -0.533 0.000 0.787 421 G N -0.527 108.086 108.800 -0.312 0.000 2.511 421 G HA2 -0.184 3.777 3.960 0.001 0.000 0.216 421 G HA3 -0.184 3.777 3.960 0.001 0.000 0.216 421 G C 0.740 175.562 174.900 -0.131 0.000 1.218 421 G CA 0.797 45.795 45.100 -0.170 0.000 0.788 421 G HN 0.286 nan 8.290 nan 0.000 0.560 422 K N -0.612 119.695 120.400 -0.154 0.000 2.362 422 K HA 0.401 4.722 4.320 0.001 0.000 0.245 422 K C 0.528 177.122 176.600 -0.010 0.000 1.040 422 K CA -0.520 55.721 56.287 -0.076 0.000 0.961 422 K CB 0.718 33.179 32.500 -0.064 0.000 1.252 422 K HN -0.094 nan 8.250 nan 0.000 0.503 423 K N 1.020 121.433 120.400 0.021 0.000 2.414 423 K HA 0.107 4.428 4.320 0.001 0.000 0.204 423 K C -0.757 175.855 176.600 0.020 0.000 1.026 423 K CA 0.030 56.347 56.287 0.049 0.000 1.108 423 K CB 0.457 32.956 32.500 -0.002 0.000 0.855 423 K HN 0.495 nan 8.250 nan 0.000 0.517 424 D N 1.981 122.404 120.400 0.039 0.000 2.382 424 D HA -0.032 4.608 4.640 0.001 0.000 0.245 424 D C 0.374 176.691 176.300 0.027 0.000 1.120 424 D CA 0.635 54.644 54.000 0.015 0.000 0.890 424 D CB 0.828 41.646 40.800 0.030 0.000 1.201 424 D HN 0.076 nan 8.370 nan 0.000 0.433 425 D N 0.489 120.830 120.400 -0.100 0.000 2.800 425 D HA -0.199 4.442 4.640 0.001 0.000 0.232 425 D C -0.945 175.117 176.300 -0.397 0.000 1.137 425 D CA 0.396 54.310 54.000 -0.144 0.000 0.718 425 D CB -0.897 39.956 40.800 0.089 0.000 1.084 425 D HN 0.220 nan 8.370 nan 0.000 0.432 426 L N -0.241 120.548 121.223 -0.723 0.000 2.333 426 L HA 0.742 5.083 4.340 0.001 0.000 0.269 426 L C -0.982 175.228 176.870 -1.101 0.000 1.010 426 L CA -0.569 53.838 54.840 -0.721 0.000 0.818 426 L CB 1.453 43.243 42.059 -0.450 0.000 1.306 426 L HN -0.056 nan 8.230 nan 0.000 0.430 427 F N 5.075 124.907 119.950 -0.197 0.000 2.971 427 F HA 0.400 4.928 4.527 0.001 0.000 0.373 427 F C -0.238 175.359 175.800 -0.338 0.000 1.288 427 F CA -0.474 57.378 58.000 -0.247 0.000 1.204 427 F CB 0.381 39.204 39.000 -0.295 0.000 1.852 427 F HN 0.194 nan 8.300 nan 0.000 0.624 428 I N 3.856 124.345 120.570 -0.136 0.000 2.725 428 I HA 0.002 4.173 4.170 0.001 0.000 0.296 428 I C 0.283 176.300 176.117 -0.167 0.000 1.155 428 I CA 0.514 61.729 61.300 -0.142 0.000 1.450 428 I CB -0.370 37.568 38.000 -0.103 0.000 1.478 428 I HN 0.286 nan 8.210 nan 0.000 0.642 429 K N 4.470 124.720 120.400 -0.249 0.000 0.000 429 K HA 0.819 5.140 4.320 0.001 0.000 0.000 429 K C -0.613 175.899 176.600 -0.148 0.000 0.000 429 K CA -0.972 55.157 56.287 -0.263 0.000 0.000 429 K CB 1.736 33.871 32.500 -0.608 0.000 0.000 429 K HN 0.371 nan 8.250 nan 0.000 0.000 430 A N 1.251 124.020 122.820 -0.086 0.000 2.304 430 A HA 0.490 4.810 4.320 0.001 0.000 0.323 430 A C -0.170 177.405 177.584 -0.015 0.000 1.195 430 A CA -0.676 51.337 52.037 -0.039 0.000 0.826 430 A CB 0.154 19.145 19.000 -0.015 0.000 1.184 430 A HN 0.500 nan 8.150 nan 0.000 0.496 431 I N 3.564 124.123 120.570 -0.019 0.000 2.471 431 I HA -0.040 4.130 4.170 0.001 0.000 0.294 431 I C 1.467 177.580 176.117 -0.006 0.000 1.123 431 I CA 0.679 61.974 61.300 -0.008 0.000 1.336 431 I CB -0.355 37.634 38.000 -0.019 0.000 1.430 431 I HN 0.885 nan 8.210 nan 0.000 0.533 432 Q N 3.902 123.707 119.800 0.009 0.000 2.045 432 Q HA -0.156 4.185 4.340 0.001 0.000 0.206 432 Q C 0.575 176.559 176.000 -0.028 0.000 0.991 432 Q CA 1.637 57.441 55.803 0.001 0.000 0.851 432 Q CB 0.162 28.909 28.738 0.016 0.000 0.911 432 Q HN 0.453 nan 8.270 nan 0.000 0.418 433 R N -0.965 119.499 120.500 -0.061 0.000 2.561 433 R HA 0.317 4.658 4.340 0.001 0.000 0.266 433 R C -2.067 174.165 176.300 -0.112 0.000 1.091 433 R CA -0.282 55.767 56.100 -0.085 0.000 0.927 433 R CB 1.828 32.065 30.300 -0.105 0.000 1.240 433 R HN -0.135 nan 8.270 nan 0.000 0.449 434 V N 4.906 124.771 119.914 -0.081 0.000 2.394 434 V HA 0.671 4.791 4.120 0.001 0.000 0.282 434 V C -0.229 175.825 176.094 -0.067 0.000 1.031 434 V CA -0.515 61.741 62.300 -0.072 0.000 0.881 434 V CB 1.360 33.156 31.823 -0.046 0.000 0.982 434 V HN 0.610 nan 8.190 nan 0.000 0.451 435 V N 3.393 123.268 119.914 -0.066 0.000 3.007 435 V HA 0.663 4.784 4.120 0.001 0.000 0.311 435 V C -0.702 175.407 176.094 0.026 0.000 1.120 435 V CA -1.040 61.245 62.300 -0.025 0.000 0.980 435 V CB 2.088 33.884 31.823 -0.045 0.000 1.033 435 V HN 0.620 nan 8.190 nan 0.000 0.429 436 L N 3.866 125.121 121.223 0.053 0.000 2.305 436 L HA 0.451 4.792 4.340 0.001 0.000 0.281 436 L C 0.295 177.239 176.870 0.123 0.000 1.085 436 L CA -0.499 54.388 54.840 0.079 0.000 0.813 436 L CB 1.369 43.471 42.059 0.072 0.000 1.157 436 L HN 0.575 nan 8.230 nan 0.000 0.436 437 M N 4.841 124.536 119.600 0.157 0.000 3.422 437 M HA 0.162 4.642 4.480 0.001 0.000 0.248 437 M C -0.014 176.362 176.300 0.127 0.000 1.433 437 M CA 0.119 55.523 55.300 0.174 0.000 1.592 437 M CB 0.044 32.812 32.600 0.281 0.000 1.078 437 M HN 0.527 nan 8.290 nan 0.000 0.578 438 M N 1.286 120.960 119.600 0.123 0.000 3.763 438 M HA 0.163 4.643 4.480 0.001 0.000 0.183 438 M C 1.344 177.677 176.300 0.054 0.000 1.544 438 M CA 0.275 55.649 55.300 0.123 0.000 1.722 438 M CB -1.776 30.936 32.600 0.187 0.000 1.155 438 M HN 0.848 nan 8.290 nan 0.000 0.528 439 G N 1.933 110.732 108.800 -0.002 0.000 4.026 439 G HA2 -0.380 3.580 3.960 0.001 0.000 0.309 439 G HA3 -0.380 3.580 3.960 0.001 0.000 0.309 439 G C 1.138 175.910 174.900 -0.213 0.000 1.411 439 G CA 0.659 45.700 45.100 -0.098 0.000 1.037 439 G HN 0.499 nan 8.290 nan 0.000 0.687 440 R N -0.268 119.970 120.500 -0.436 0.000 2.307 440 R HA 0.465 4.806 4.340 0.001 0.000 0.200 440 R C 0.074 175.981 176.300 -0.654 0.000 0.893 440 R CA 0.059 55.774 56.100 -0.641 0.000 1.042 440 R CB 0.173 29.918 30.300 -0.925 0.000 1.059 440 R HN 0.297 nan 8.270 nan 0.000 0.530 441 F N -0.024 119.937 119.950 0.018 0.000 2.523 441 F HA 0.418 4.946 4.527 0.001 0.000 0.329 441 F C 0.051 175.888 175.800 0.062 0.000 1.061 441 F CA -1.619 56.401 58.000 0.033 0.000 0.967 441 F CB 1.280 40.297 39.000 0.027 0.000 1.218 441 F HN -0.330 nan 8.300 nan 0.000 0.480 442 V N -0.875 119.203 119.914 0.273 0.000 2.628 442 V HA 0.827 4.948 4.120 0.001 0.000 0.306 442 V C -1.129 175.058 176.094 0.155 0.000 1.045 442 V CA -0.642 61.778 62.300 0.201 0.000 0.905 442 V CB 1.745 33.707 31.823 0.232 0.000 0.997 442 V HN 0.738 nan 8.190 nan 0.000 0.436 443 E N 4.496 124.763 120.200 0.112 0.000 2.220 443 E HA 0.590 4.941 4.350 0.001 0.000 0.256 443 E C -2.910 173.716 176.600 0.042 0.000 0.881 443 E CA -2.303 54.142 56.400 0.075 0.000 0.766 443 E CB 2.064 31.811 29.700 0.077 0.000 1.187 443 E HN 0.650 nan 8.360 nan 0.000 0.419 444 P HA 0.040 nan 4.420 nan 0.000 0.264 444 P C -0.831 176.469 177.300 0.000 0.000 1.183 444 P CA 0.139 63.240 63.100 0.001 0.000 0.763 444 P CB 0.369 32.069 31.700 -0.000 0.000 0.807 445 I N 2.041 122.605 120.570 -0.010 0.000 2.644 445 I HA 0.231 4.401 4.170 0.001 0.000 0.291 445 I C 0.647 176.752 176.117 -0.019 0.000 1.180 445 I CA -0.464 60.828 61.300 -0.012 0.000 1.040 445 I CB 1.573 39.566 38.000 -0.010 0.000 1.255 445 I HN 0.228 nan 8.210 nan 0.000 0.422 446 D N 4.210 124.599 120.400 -0.018 0.000 2.212 446 D HA -0.143 4.497 4.640 0.001 0.000 0.197 446 D C 0.014 176.301 176.300 -0.022 0.000 1.004 446 D CA 1.997 55.985 54.000 -0.019 0.000 0.864 446 D CB -0.021 40.768 40.800 -0.017 0.000 1.027 446 D HN 0.788 nan 8.370 nan 0.000 0.455 447 D N -1.186 119.200 120.400 -0.023 0.000 2.553 447 D HA 0.380 5.020 4.640 0.001 0.000 0.249 447 D C -0.839 175.444 176.300 -0.029 0.000 1.062 447 D CA -0.693 53.292 54.000 -0.025 0.000 1.085 447 D CB 2.144 42.930 40.800 -0.023 0.000 1.350 447 D HN 0.224 nan 8.370 nan 0.000 0.575 448 C N 1.237 120.518 119.300 -0.032 0.000 2.817 448 C HA 0.453 4.914 4.460 0.001 0.000 0.385 448 C C -2.857 172.109 174.990 -0.041 0.000 1.050 448 C CA -0.891 58.104 59.018 -0.038 0.000 1.245 448 C CB 1.290 29.004 27.740 -0.044 0.000 1.706 448 C HN 0.486 nan 8.230 nan 0.000 0.488 449 P HA 0.350 nan 4.420 nan 0.000 0.276 449 P C -0.207 177.062 177.300 -0.052 0.000 1.244 449 P CA 0.138 63.215 63.100 -0.039 0.000 0.801 449 P CB 0.920 32.599 31.700 -0.035 0.000 1.006 450 A N 1.077 123.870 122.820 -0.046 0.000 2.587 450 A HA 0.355 4.675 4.320 0.001 0.000 0.233 450 A C 1.446 178.979 177.584 -0.085 0.000 1.049 450 A CA 1.110 53.111 52.037 -0.061 0.000 0.754 450 A CB -1.578 17.407 19.000 -0.025 0.000 0.977 450 A HN 0.919 nan 8.150 nan 0.000 0.509 451 G N 1.639 110.351 108.800 -0.147 0.000 2.201 451 G HA2 -0.182 3.778 3.960 0.001 0.000 0.212 451 G HA3 -0.182 3.778 3.960 0.001 0.000 0.212 451 G C -0.078 174.727 174.900 -0.158 0.000 0.994 451 G CA 0.262 45.272 45.100 -0.150 0.000 0.644 451 G HN 0.967 nan 8.290 nan 0.000 0.508 452 N N -0.423 118.181 118.700 -0.160 0.000 2.432 452 N HA 0.737 5.477 4.740 0.001 0.000 0.292 452 N C -0.772 174.629 175.510 -0.180 0.000 1.193 452 N CA -0.655 52.315 53.050 -0.134 0.000 0.878 452 N CB 1.295 39.731 38.487 -0.086 0.000 1.252 452 N HN 0.036 nan 8.380 nan 0.000 0.520 453 I N 1.643 122.124 120.570 -0.147 0.000 2.312 453 I HA 0.353 4.524 4.170 0.001 0.000 0.291 453 I C -0.486 175.532 176.117 -0.166 0.000 1.031 453 I CA -0.196 60.973 61.300 -0.219 0.000 1.293 453 I CB 0.220 38.140 38.000 -0.133 0.000 1.403 453 I HN 0.448 nan 8.210 nan 0.000 0.484 454 I N 4.988 125.424 120.570 -0.222 0.000 3.239 454 I HA 0.871 5.041 4.170 0.001 0.000 0.314 454 I C -0.114 175.948 176.117 -0.093 0.000 1.126 454 I CA -0.521 60.715 61.300 -0.107 0.000 0.973 454 I CB 2.333 40.284 38.000 -0.082 0.000 1.252 454 I HN 0.479 nan 8.210 nan 0.000 0.463 455 G N 3.570 112.373 108.800 0.005 0.000 2.495 455 G HA2 0.682 4.643 3.960 0.001 0.000 0.318 455 G HA3 0.682 4.643 3.960 0.001 0.000 0.318 455 G C -1.783 173.109 174.900 -0.013 0.000 1.257 455 G CA -0.574 44.562 45.100 0.060 0.000 0.962 455 G HN 0.568 nan 8.290 nan 0.000 0.483 456 L N 0.968 122.187 121.223 -0.007 0.000 2.354 456 L HA 0.654 4.994 4.340 0.001 0.000 0.269 456 L C -0.603 176.187 176.870 -0.134 0.000 1.005 456 L CA -1.267 53.538 54.840 -0.059 0.000 0.819 456 L CB 2.412 44.467 42.059 -0.008 0.000 1.311 456 L HN 0.176 nan 8.230 nan 0.000 0.423 457 V N 1.059 120.846 119.914 -0.212 0.000 2.378 457 V HA 0.693 4.813 4.120 0.001 0.000 0.288 457 V C 0.596 176.666 176.094 -0.039 0.000 1.016 457 V CA 0.089 62.221 62.300 -0.280 0.000 0.840 457 V CB 1.138 32.651 31.823 -0.516 0.000 0.994 457 V HN 1.062 nan 8.190 nan 0.000 0.431 458 G N 4.227 113.074 108.800 0.079 0.000 2.147 458 G HA2 -0.140 3.821 3.960 0.001 0.000 0.128 458 G HA3 -0.140 3.821 3.960 0.001 0.000 0.128 458 G C 0.001 175.038 174.900 0.227 0.000 1.026 458 G CA 0.035 45.212 45.100 0.129 0.000 0.693 458 G HN 0.591 nan 8.290 nan 0.000 0.499 459 I N 1.244 121.935 120.570 0.202 0.000 4.139 459 I HA 0.189 4.360 4.170 0.001 0.000 0.320 459 I C 2.098 178.270 176.117 0.091 0.000 1.290 459 I CA 1.027 62.504 61.300 0.295 0.000 1.253 459 I CB 0.220 38.336 38.000 0.193 0.000 1.122 459 I HN 0.179 nan 8.210 nan 0.000 0.421 460 D N 1.394 121.811 120.400 0.028 0.000 2.339 460 D HA -0.340 4.300 4.640 0.001 0.000 0.189 460 D C 1.666 177.807 176.300 -0.265 0.000 1.022 460 D CA 1.840 55.798 54.000 -0.070 0.000 0.884 460 D CB -0.799 40.018 40.800 0.029 0.000 0.916 460 D HN 0.518 nan 8.370 nan 0.000 0.453 461 Q N -0.475 119.023 119.800 -0.504 0.000 2.282 461 Q HA 0.078 4.418 4.340 0.001 0.000 0.205 461 Q C 0.385 175.829 176.000 -0.927 0.000 0.915 461 Q CA 0.241 55.621 55.803 -0.704 0.000 0.949 461 Q CB -0.145 28.120 28.738 -0.788 0.000 1.035 461 Q HN 0.429 nan 8.270 nan 0.000 0.484 462 F N -0.171 119.567 119.950 -0.353 0.000 2.658 462 F HA 0.361 4.889 4.527 0.001 0.000 0.293 462 F C 0.615 176.183 175.800 -0.387 0.000 0.986 462 F CA -0.277 57.341 58.000 -0.636 0.000 1.182 462 F CB 0.721 39.427 39.000 -0.490 0.000 0.965 462 F HN -0.119 nan 8.300 nan 0.000 0.659 463 L N 1.148 122.353 121.223 -0.030 0.000 2.305 463 L HA 0.307 4.647 4.340 0.001 0.000 0.284 463 L C 0.778 177.603 176.870 -0.074 0.000 1.013 463 L CA -0.552 54.284 54.840 -0.006 0.000 0.819 463 L CB 2.269 44.349 42.059 0.034 0.000 1.227 463 L HN 0.063 nan 8.230 nan 0.000 0.417 464 L N 3.855 125.039 121.223 -0.066 0.000 2.005 464 L HA -0.106 4.234 4.340 0.001 0.000 0.207 464 L C 1.650 178.430 176.870 -0.151 0.000 1.072 464 L CA 2.137 56.904 54.840 -0.121 0.000 0.744 464 L CB -0.119 41.898 42.059 -0.070 0.000 0.895 464 L HN 0.684 nan 8.230 nan 0.000 0.433 465 K N -3.344 116.999 120.400 -0.096 0.000 2.890 465 K HA 0.236 4.556 4.320 0.001 0.000 0.202 465 K C 0.090 176.663 176.600 -0.046 0.000 1.592 465 K CA 0.359 56.560 56.287 -0.144 0.000 1.197 465 K CB 0.743 33.029 32.500 -0.357 0.000 1.913 465 K HN 0.072 nan 8.250 nan 0.000 0.550 466 T N 0.512 115.097 114.554 0.053 0.000 2.940 466 T HA 0.702 5.052 4.350 0.001 0.000 0.288 466 T C -0.202 174.504 174.700 0.010 0.000 1.033 466 T CA -0.414 61.724 62.100 0.064 0.000 1.033 466 T CB 1.908 70.921 68.868 0.241 0.000 1.079 466 T HN 0.435 nan 8.240 nan 0.000 0.496 467 G N 0.295 109.030 108.800 -0.108 0.000 2.328 467 G HA2 0.506 4.466 3.960 0.001 0.000 0.295 467 G HA3 0.506 4.466 3.960 0.001 0.000 0.295 467 G C -1.500 173.328 174.900 -0.120 0.000 1.413 467 G CA -0.702 44.364 45.100 -0.057 0.000 0.817 467 G HN 0.707 nan 8.290 nan 0.000 0.546 468 T N 0.230 114.782 114.554 -0.003 0.000 2.841 468 T HA 0.643 4.993 4.350 0.001 0.000 0.283 468 T C -0.992 173.732 174.700 0.039 0.000 1.000 468 T CA -0.370 61.761 62.100 0.050 0.000 0.977 468 T CB 1.588 70.539 68.868 0.138 0.000 0.979 468 T HN 0.372 nan 8.240 nan 0.000 0.446 469 L N 3.570 124.825 121.223 0.053 0.000 2.325 469 L HA 0.698 5.039 4.340 0.001 0.000 0.281 469 L C 0.730 177.628 176.870 0.046 0.000 1.004 469 L CA -0.205 54.650 54.840 0.025 0.000 0.823 469 L CB 1.679 43.748 42.059 0.016 0.000 1.236 469 L HN 0.962 nan 8.230 nan 0.000 0.415 470 T N -2.042 112.524 114.554 0.020 0.000 2.669 470 T HA 0.652 5.002 4.350 0.001 0.000 0.283 470 T C 0.303 175.007 174.700 0.008 0.000 1.019 470 T CA -0.083 62.039 62.100 0.037 0.000 1.039 470 T CB 1.857 70.767 68.868 0.070 0.000 1.374 470 T HN 0.322 nan 8.240 nan 0.000 0.523 471 T N -0.010 114.554 114.554 0.017 0.000 3.051 471 T HA 0.344 4.694 4.350 0.001 0.000 0.254 471 T C 0.723 175.431 174.700 0.013 0.000 0.916 471 T CA 0.104 62.206 62.100 0.004 0.000 0.894 471 T CB 0.224 69.094 68.868 0.003 0.000 1.251 471 T HN 0.690 nan 8.240 nan 0.000 0.517 472 S N 2.132 117.852 115.700 0.033 0.000 2.510 472 S HA 0.070 4.541 4.470 0.001 0.000 0.279 472 S C 1.188 175.822 174.600 0.056 0.000 1.284 472 S CA -0.202 58.025 58.200 0.045 0.000 1.059 472 S CB 0.457 63.693 63.200 0.061 0.000 0.901 472 S HN 0.250 nan 8.310 nan 0.000 0.491 473 E N 2.604 122.831 120.200 0.045 0.000 2.418 473 E HA -0.067 4.284 4.350 0.001 0.000 0.197 473 E C 1.006 177.650 176.600 0.072 0.000 1.026 473 E CA 0.994 57.426 56.400 0.052 0.000 0.862 473 E CB -0.008 29.711 29.700 0.032 0.000 0.799 473 E HN 0.836 nan 8.360 nan 0.000 0.518 474 T N -1.825 112.772 114.554 0.073 0.000 3.269 474 T HA 0.533 4.884 4.350 0.001 0.000 0.269 474 T C 0.092 174.872 174.700 0.133 0.000 0.993 474 T CA -0.496 61.647 62.100 0.073 0.000 0.909 474 T CB 0.551 69.462 68.868 0.072 0.000 1.115 474 T HN 0.019 nan 8.240 nan 0.000 0.543 475 A N 1.333 124.249 122.820 0.160 0.000 2.260 475 A HA 0.654 4.975 4.320 0.001 0.000 0.314 475 A C -0.294 177.450 177.584 0.267 0.000 1.257 475 A CA -0.623 51.579 52.037 0.275 0.000 0.871 475 A CB 0.163 19.299 19.000 0.227 0.000 1.166 475 A HN 0.635 nan 8.150 nan 0.000 0.522 476 H N 1.350 120.568 119.070 0.247 0.000 2.639 476 H HA 0.216 4.773 4.556 0.001 0.000 0.373 476 H C 0.579 175.951 175.328 0.073 0.000 1.372 476 H CA 0.426 56.481 56.048 0.011 0.000 1.448 476 H CB 0.508 30.066 29.762 -0.340 0.000 1.544 476 H HN 0.676 nan 8.280 nan 0.000 0.615 477 N N 0.418 119.209 118.700 0.151 0.000 2.445 477 N HA 0.162 4.903 4.740 0.001 0.000 0.264 477 N C -0.302 175.262 175.510 0.091 0.000 1.227 477 N CA -0.135 53.016 53.050 0.168 0.000 0.963 477 N CB 0.746 39.333 38.487 0.168 0.000 1.188 477 N HN 0.402 nan 8.380 nan 0.000 0.491 478 M N 0.509 120.229 119.600 0.199 0.000 2.367 478 M HA 0.163 4.644 4.480 0.001 0.000 0.339 478 M C 0.387 176.805 176.300 0.197 0.000 1.177 478 M CA -0.893 54.521 55.300 0.189 0.000 1.068 478 M CB 0.846 33.622 32.600 0.292 0.000 1.602 478 M HN 0.288 nan 8.290 nan 0.000 0.457 479 K N 2.582 123.024 120.400 0.070 0.000 2.296 479 K HA -0.051 4.270 4.320 0.001 0.000 0.247 479 K C -0.703 176.014 176.600 0.195 0.000 1.301 479 K CA 0.107 56.433 56.287 0.065 0.000 1.281 479 K CB -1.070 31.420 32.500 -0.016 0.000 0.738 479 K HN 0.496 nan 8.250 nan 0.000 0.524 480 V N 2.380 122.387 119.914 0.155 0.000 3.051 480 V HA 0.295 4.415 4.120 0.001 0.000 0.306 480 V C 0.399 176.562 176.094 0.115 0.000 1.083 480 V CA -0.264 62.136 62.300 0.167 0.000 1.104 480 V CB 0.807 32.694 31.823 0.106 0.000 1.027 480 V HN 0.634 nan 8.190 nan 0.000 0.483 481 M N 3.252 122.911 119.600 0.098 0.000 2.043 481 M HA 0.431 4.912 4.480 0.001 0.000 0.322 481 M C -0.304 175.838 176.300 -0.263 0.000 0.962 481 M CA -0.400 54.846 55.300 -0.090 0.000 0.927 481 M CB 1.428 33.991 32.600 -0.062 0.000 1.466 481 M HN 0.647 nan 8.290 nan 0.000 0.412 482 K N 3.051 123.302 120.400 -0.248 0.000 2.402 482 K HA 0.202 4.523 4.320 0.001 0.000 0.279 482 K C -1.268 175.125 176.600 -0.345 0.000 1.082 482 K CA 0.669 56.844 56.287 -0.187 0.000 1.080 482 K CB 0.111 32.543 32.500 -0.114 0.000 0.899 482 K HN 0.334 nan 8.250 nan 0.000 0.469 483 F N 0.641 120.613 119.950 0.036 0.000 2.540 483 F HA 0.239 4.766 4.527 0.001 0.000 0.317 483 F C 0.411 176.227 175.800 0.026 0.000 1.104 483 F CA -0.709 57.300 58.000 0.015 0.000 0.913 483 F CB 2.188 41.193 39.000 0.008 0.000 1.170 483 F HN 0.291 nan 8.300 nan 0.000 0.450 484 S N 1.638 117.471 115.700 0.222 0.000 2.503 484 S HA 0.527 4.997 4.470 0.001 0.000 0.301 484 S C -0.227 174.404 174.600 0.053 0.000 1.087 484 S CA -0.433 57.858 58.200 0.152 0.000 1.042 484 S CB 1.783 65.107 63.200 0.205 0.000 1.043 484 S HN 0.569 nan 8.310 nan 0.000 0.489 485 V N 4.031 123.956 119.914 0.018 0.000 3.542 485 V HA 0.341 4.462 4.120 0.001 0.000 0.296 485 V C 0.137 176.187 176.094 -0.074 0.000 1.364 485 V CA 0.182 62.459 62.300 -0.037 0.000 1.118 485 V CB 0.021 31.824 31.823 -0.033 0.000 0.972 485 V HN 0.835 nan 8.190 nan 0.000 0.430 486 S N 3.541 119.156 115.700 -0.141 0.000 2.465 486 S HA 0.281 4.751 4.470 0.001 0.000 0.280 486 S C -2.366 172.097 174.600 -0.227 0.000 1.232 486 S CA -0.484 57.543 58.200 -0.288 0.000 1.066 486 S CB 0.938 63.645 63.200 -0.821 0.000 0.929 486 S HN 0.375 nan 8.310 nan 0.000 0.494 487 P HA 0.074 nan 4.420 nan 0.000 0.256 487 P C 0.689 177.967 177.300 -0.037 0.000 1.688 487 P CA -0.152 62.931 63.100 -0.028 0.000 1.162 487 P CB -0.122 31.596 31.700 0.030 0.000 1.870 488 V N 1.122 120.982 119.914 -0.090 0.000 3.649 488 V HA 0.164 4.285 4.120 0.001 0.000 0.275 488 V C 0.341 176.425 176.094 -0.016 0.000 1.281 488 V CA 0.107 62.342 62.300 -0.109 0.000 1.143 488 V CB -0.288 31.389 31.823 -0.243 0.000 0.892 488 V HN 0.045 nan 8.190 nan 0.000 0.441 489 V N 1.585 121.524 119.914 0.040 0.000 2.777 489 V HA 0.634 4.755 4.120 0.001 0.000 0.306 489 V C -0.694 175.450 176.094 0.083 0.000 1.112 489 V CA -0.629 61.720 62.300 0.082 0.000 0.917 489 V CB 1.474 33.357 31.823 0.099 0.000 1.018 489 V HN 0.661 nan 8.190 nan 0.000 0.426 490 Q N 3.225 123.076 119.800 0.085 0.000 2.687 490 Q HA 0.976 5.316 4.340 0.001 0.000 0.305 490 Q C -1.303 174.723 176.000 0.044 0.000 1.006 490 Q CA -1.016 54.825 55.803 0.063 0.000 0.763 490 Q CB 3.020 31.806 28.738 0.080 0.000 1.506 490 Q HN 0.968 nan 8.270 nan 0.000 0.459 491 V N -4.614 115.305 119.914 0.007 0.000 3.226 491 V HA 0.956 5.077 4.120 0.001 0.000 0.304 491 V C -1.374 174.701 176.094 -0.032 0.000 1.336 491 V CA -0.720 61.580 62.300 -0.001 0.000 1.066 491 V CB 1.268 33.092 31.823 0.001 0.000 1.087 491 V HN 1.109 nan 8.190 nan 0.000 0.451 492 A N 0.582 123.391 122.820 -0.019 0.000 2.342 492 A HA 0.940 5.260 4.320 0.001 0.000 0.323 492 A C -0.646 176.934 177.584 -0.007 0.000 1.125 492 A CA -0.693 51.331 52.037 -0.021 0.000 0.785 492 A CB 1.637 20.637 19.000 0.001 0.000 1.221 492 A HN 1.285 nan 8.150 nan 0.000 0.463 493 V N 0.947 120.861 119.914 0.001 0.000 3.096 493 V HA 0.883 5.004 4.120 0.001 0.000 0.319 493 V C -0.196 175.913 176.094 0.025 0.000 1.103 493 V CA -0.337 61.963 62.300 0.001 0.000 1.016 493 V CB 1.908 33.715 31.823 -0.025 0.000 1.090 493 V HN 1.116 nan 8.190 nan 0.000 0.449 494 E N -0.180 120.026 120.200 0.010 0.000 2.405 494 E HA 0.413 4.763 4.350 0.001 0.000 0.283 494 E C -1.215 175.389 176.600 0.007 0.000 1.140 494 E CA -0.366 56.046 56.400 0.019 0.000 0.904 494 E CB 1.336 31.055 29.700 0.031 0.000 1.209 494 E HN 0.573 nan 8.360 nan 0.000 0.428 495 V N 1.172 121.089 119.914 0.007 0.000 3.561 495 V HA 0.670 4.791 4.120 0.001 0.000 0.290 495 V C 0.772 176.874 176.094 0.014 0.000 1.052 495 V CA -0.168 62.137 62.300 0.007 0.000 0.973 495 V CB 1.208 33.032 31.823 0.003 0.000 1.243 495 V HN 0.698 nan 8.190 nan 0.000 0.432 496 K N -0.151 120.257 120.400 0.015 0.000 2.374 496 K HA 0.350 4.671 4.320 0.001 0.000 0.202 496 K C -0.349 176.259 176.600 0.014 0.000 1.040 496 K CA 0.094 56.391 56.287 0.015 0.000 1.085 496 K CB -0.371 32.139 32.500 0.017 0.000 0.873 496 K HN 0.935 nan 8.250 nan 0.000 0.539 497 N N -1.227 117.480 118.700 0.012 0.000 2.329 497 N HA 0.381 5.122 4.740 0.001 0.000 0.282 497 N C -0.506 175.010 175.510 0.011 0.000 1.198 497 N CA -0.232 52.824 53.050 0.011 0.000 0.790 497 N CB 1.820 40.313 38.487 0.009 0.000 1.579 497 N HN -0.076 nan 8.380 nan 0.000 0.475 498 A N 1.033 123.859 122.820 0.011 0.000 1.862 498 A HA 0.027 4.348 4.320 0.001 0.000 0.211 498 A C 1.487 179.077 177.584 0.010 0.000 1.220 498 A CA 0.995 53.040 52.037 0.012 0.000 0.616 498 A CB -0.881 18.127 19.000 0.013 0.000 0.878 498 A HN 0.778 nan 8.150 nan 0.000 0.453 499 N N 0.495 119.200 118.700 0.008 0.000 2.242 499 N HA -0.188 4.552 4.740 0.001 0.000 0.191 499 N C 0.688 176.201 175.510 0.005 0.000 1.005 499 N CA 1.490 54.545 53.050 0.007 0.000 0.877 499 N CB -0.143 38.348 38.487 0.006 0.000 0.983 499 N HN 0.418 nan 8.380 nan 0.000 0.439 500 D N 0.468 120.871 120.400 0.004 0.000 2.348 500 D HA -0.074 4.567 4.640 0.001 0.000 0.216 500 D C 1.888 178.186 176.300 -0.005 0.000 0.970 500 D CA 0.073 54.074 54.000 0.001 0.000 0.889 500 D CB -0.113 40.688 40.800 0.001 0.000 0.912 500 D HN 0.328 nan 8.370 nan 0.000 0.524 501 L N 1.078 122.301 121.223 -0.001 0.000 2.054 501 L HA -0.216 4.125 4.340 0.001 0.000 0.220 501 L C -0.824 176.035 176.870 -0.018 0.000 1.081 501 L CA 1.970 56.807 54.840 -0.005 0.000 0.780 501 L CB -0.978 41.091 42.059 0.016 0.000 0.893 501 L HN 0.048 nan 8.230 nan 0.000 0.438 502 P HA -0.170 nan 4.420 nan 0.000 0.218 502 P C 1.088 178.376 177.300 -0.019 0.000 1.148 502 P CA 1.528 64.623 63.100 -0.007 0.000 0.822 502 P CB 0.021 31.721 31.700 0.001 0.000 0.784 503 K N -1.178 119.211 120.400 -0.017 0.000 2.211 503 K HA -0.097 4.223 4.320 0.001 0.000 0.203 503 K C 1.840 178.421 176.600 -0.033 0.000 1.050 503 K CA 0.828 57.106 56.287 -0.016 0.000 0.945 503 K CB -0.570 31.926 32.500 -0.007 0.000 0.732 503 K HN 0.090 nan 8.250 nan 0.000 0.451 504 L N 0.242 121.427 121.223 -0.063 0.000 2.102 504 L HA -0.038 4.303 4.340 0.001 0.000 0.202 504 L C 1.766 178.530 176.870 -0.177 0.000 1.076 504 L CA 1.336 56.106 54.840 -0.117 0.000 0.761 504 L CB -0.228 41.742 42.059 -0.149 0.000 0.921 504 L HN -0.158 nan 8.230 nan 0.000 0.444 505 V N 0.048 119.856 119.914 -0.178 0.000 2.828 505 V HA -0.203 3.917 4.120 0.001 0.000 0.260 505 V C 2.517 178.565 176.094 -0.076 0.000 1.101 505 V CA 1.639 63.845 62.300 -0.157 0.000 1.123 505 V CB -0.701 31.091 31.823 -0.051 0.000 0.704 505 V HN 0.479 nan 8.190 nan 0.000 0.493 506 E N 0.694 120.860 120.200 -0.055 0.000 2.079 506 E HA 0.077 4.427 4.350 0.001 0.000 0.191 506 E C 2.312 178.901 176.600 -0.017 0.000 0.961 506 E CA 1.109 57.495 56.400 -0.023 0.000 0.823 506 E CB -0.723 28.973 29.700 -0.006 0.000 0.789 506 E HN 0.367 nan 8.360 nan 0.000 0.459 507 G N 1.164 109.958 108.800 -0.010 0.000 2.442 507 G HA2 -0.254 3.707 3.960 0.001 0.000 0.219 507 G HA3 -0.254 3.707 3.960 0.001 0.000 0.219 507 G C 1.630 176.471 174.900 -0.098 0.000 1.141 507 G CA 0.886 46.003 45.100 0.029 0.000 0.763 507 G HN 0.262 nan 8.290 nan 0.000 0.554 508 L N -0.124 121.028 121.223 -0.117 0.000 2.012 508 L HA -0.120 4.221 4.340 0.001 0.000 0.210 508 L C 3.069 179.868 176.870 -0.118 0.000 1.073 508 L CA 1.610 56.366 54.840 -0.140 0.000 0.748 508 L CB -0.240 41.741 42.059 -0.130 0.000 0.891 508 L HN 0.224 nan 8.230 nan 0.000 0.431 509 K N -0.847 119.511 120.400 -0.070 0.000 2.057 509 K HA -0.124 4.197 4.320 0.001 0.000 0.206 509 K C 2.191 178.762 176.600 -0.049 0.000 1.050 509 K CA 0.826 57.091 56.287 -0.037 0.000 0.935 509 K CB -0.080 32.413 32.500 -0.011 0.000 0.715 509 K HN 0.181 nan 8.250 nan 0.000 0.439 510 R N 0.892 121.364 120.500 -0.047 0.000 2.115 510 R HA -0.087 4.254 4.340 0.001 0.000 0.230 510 R C 2.302 178.523 176.300 -0.132 0.000 1.111 510 R CA 0.773 56.878 56.100 0.009 0.000 0.976 510 R CB -0.761 29.643 30.300 0.172 0.000 0.870 510 R HN 0.187 nan 8.270 nan 0.000 0.445 511 L N 0.933 121.857 121.223 -0.498 0.000 2.056 511 L HA -0.035 4.306 4.340 0.001 0.000 0.207 511 L C 1.862 178.595 176.870 -0.228 0.000 1.078 511 L CA 1.769 56.164 54.840 -0.742 0.000 0.749 511 L CB -0.636 40.997 42.059 -0.710 0.000 0.901 511 L HN -0.027 nan 8.230 nan 0.000 0.433 512 S N -0.486 115.137 115.700 -0.128 0.000 2.469 512 S HA -0.115 4.356 4.470 0.001 0.000 0.238 512 S C 1.831 176.456 174.600 0.042 0.000 0.998 512 S CA 0.905 59.090 58.200 -0.026 0.000 0.957 512 S CB -0.257 62.937 63.200 -0.010 0.000 0.764 512 S HN 0.466 nan 8.310 nan 0.000 0.514 513 K N 1.305 121.726 120.400 0.034 0.000 2.098 513 K HA 0.030 4.351 4.320 0.001 0.000 0.203 513 K C 2.468 179.144 176.600 0.126 0.000 1.051 513 K CA 1.319 57.658 56.287 0.087 0.000 0.957 513 K CB -0.331 32.183 32.500 0.024 0.000 0.738 513 K HN 0.487 nan 8.250 nan 0.000 0.447 514 S N 0.481 116.231 115.700 0.083 0.000 2.423 514 S HA -0.077 4.393 4.470 0.001 0.000 0.231 514 S C 0.618 175.325 174.600 0.179 0.000 1.014 514 S CA 0.663 58.915 58.200 0.086 0.000 0.965 514 S CB 0.043 63.332 63.200 0.148 0.000 0.785 514 S HN 0.122 nan 8.310 nan 0.000 0.495 515 D N 0.772 121.289 120.400 0.195 0.000 2.780 515 D HA 0.427 5.067 4.640 0.001 0.000 0.242 515 D C -2.481 173.885 176.300 0.110 0.000 1.135 515 D CA -2.155 51.956 54.000 0.184 0.000 0.859 515 D CB 2.397 43.276 40.800 0.131 0.000 1.530 515 D HN -0.154 nan 8.370 nan 0.000 0.493 516 P HA 0.106 nan 4.420 nan 0.000 0.221 516 P C 1.072 178.307 177.300 -0.108 0.000 1.155 516 P CA 0.465 63.440 63.100 -0.208 0.000 0.812 516 P CB 0.460 31.921 31.700 -0.398 0.000 0.801 517 C N -1.568 117.702 119.300 -0.050 0.000 2.673 517 C HA 0.250 4.710 4.460 0.001 0.000 0.264 517 C C 1.323 176.365 174.990 0.086 0.000 1.304 517 C CA -0.296 58.704 59.018 -0.029 0.000 1.727 517 C CB -0.721 26.941 27.740 -0.129 0.000 1.932 517 C HN 0.055 nan 8.230 nan 0.000 0.563 518 V N 1.716 121.721 119.914 0.152 0.000 2.834 518 V HA 0.603 4.724 4.120 0.001 0.000 0.301 518 V C -0.680 175.458 176.094 0.073 0.000 1.066 518 V CA -0.140 62.252 62.300 0.153 0.000 1.052 518 V CB 1.635 33.507 31.823 0.081 0.000 1.021 518 V HN 0.302 nan 8.190 nan 0.000 0.480 519 L N 5.164 126.434 121.223 0.079 0.000 2.464 519 L HA 0.772 5.112 4.340 0.001 0.000 0.266 519 L C -0.328 176.620 176.870 0.130 0.000 0.965 519 L CA 0.162 55.062 54.840 0.101 0.000 0.833 519 L CB 2.226 44.358 42.059 0.122 0.000 1.296 519 L HN 0.886 nan 8.230 nan 0.000 0.405 520 T N 1.474 116.105 114.554 0.128 0.000 2.863 520 T HA 0.857 5.208 4.350 0.001 0.000 0.285 520 T C -0.931 173.906 174.700 0.229 0.000 1.009 520 T CA -0.486 61.669 62.100 0.092 0.000 0.989 520 T CB 1.586 70.466 68.868 0.020 0.000 1.004 520 T HN 0.760 nan 8.240 nan 0.000 0.455 521 Y N -0.393 119.941 120.300 0.057 0.000 2.573 521 Y HA 0.575 5.126 4.550 0.001 0.000 0.328 521 Y C -1.190 174.738 175.900 0.046 0.000 1.170 521 Y CA -1.616 56.512 58.100 0.046 0.000 1.078 521 Y CB 1.336 39.797 38.460 0.000 0.000 1.341 521 Y HN 0.658 nan 8.280 nan 0.000 0.459 522 M N 3.972 123.678 119.600 0.176 0.000 2.201 522 M HA 0.250 4.731 4.480 0.001 0.000 0.345 522 M C 0.465 176.836 176.300 0.118 0.000 1.352 522 M CA -0.037 55.254 55.300 -0.016 0.000 1.218 522 M CB 0.949 33.530 32.600 -0.032 0.000 1.512 522 M HN 0.884 nan 8.290 nan 0.000 0.447 523 S N 1.873 117.616 115.700 0.072 0.000 2.634 523 S HA 0.046 4.516 4.470 0.001 0.000 0.254 523 S C 1.152 175.830 174.600 0.131 0.000 1.299 523 S CA 0.062 58.363 58.200 0.169 0.000 0.974 523 S CB 0.744 64.004 63.200 0.101 0.000 1.001 523 S HN 0.786 nan 8.310 nan 0.000 0.584 524 E N -0.046 120.241 120.200 0.146 0.000 2.107 524 E HA -0.074 4.277 4.350 0.001 0.000 0.191 524 E C 1.784 178.370 176.600 -0.024 0.000 0.982 524 E CA 1.081 57.507 56.400 0.043 0.000 0.809 524 E CB -0.108 29.592 29.700 0.001 0.000 0.756 524 E HN 0.716 nan 8.360 nan 0.000 0.459 525 S N -0.679 115.012 115.700 -0.014 0.000 2.727 525 S HA 0.083 4.553 4.470 0.001 0.000 0.226 525 S C 1.385 175.967 174.600 -0.030 0.000 0.963 525 S CA 0.429 58.616 58.200 -0.022 0.000 0.950 525 S CB 0.081 63.279 63.200 -0.004 0.000 0.779 525 S HN 0.372 nan 8.310 nan 0.000 0.532 526 G N 0.425 109.196 108.800 -0.047 0.000 2.153 526 G HA2 -0.274 3.687 3.960 0.001 0.000 0.252 526 G HA3 -0.274 3.687 3.960 0.001 0.000 0.252 526 G C -0.245 174.562 174.900 -0.155 0.000 0.994 526 G CA 0.222 45.268 45.100 -0.090 0.000 0.698 526 G HN 0.628 nan 8.290 nan 0.000 0.521 527 E N 0.351 120.477 120.200 -0.123 0.000 2.313 527 E HA 0.335 4.686 4.350 0.001 0.000 0.276 527 E C -0.102 176.361 176.600 -0.228 0.000 1.031 527 E CA -0.642 55.690 56.400 -0.114 0.000 0.857 527 E CB 0.434 30.121 29.700 -0.023 0.000 1.040 527 E HN 0.397 nan 8.360 nan 0.000 0.408 528 H N 3.549 122.582 119.070 -0.061 0.000 2.489 528 H HA 0.298 4.855 4.556 0.001 0.000 0.322 528 H C -0.101 175.108 175.328 -0.199 0.000 1.091 528 H CA -0.317 55.662 56.048 -0.115 0.000 1.291 528 H CB 0.708 30.428 29.762 -0.070 0.000 1.436 528 H HN 0.316 nan 8.280 nan 0.000 0.480 529 I N 2.561 122.970 120.570 -0.267 0.000 2.846 529 I HA 0.321 4.492 4.170 0.001 0.000 0.307 529 I C -0.033 175.911 176.117 -0.288 0.000 1.053 529 I CA -1.045 60.021 61.300 -0.389 0.000 1.050 529 I CB 1.960 39.456 38.000 -0.839 0.000 1.239 529 I HN 0.180 nan 8.210 nan 0.000 0.439 530 V N 2.767 122.583 119.914 -0.163 0.000 2.532 530 V HA 0.695 4.815 4.120 0.001 0.000 0.294 530 V C -0.130 175.954 176.094 -0.016 0.000 1.036 530 V CA -0.536 61.720 62.300 -0.073 0.000 0.876 530 V CB 1.574 33.357 31.823 -0.067 0.000 1.012 530 V HN 0.942 nan 8.190 nan 0.000 0.432 531 A N 3.479 126.326 122.820 0.045 0.000 2.337 531 A HA 1.012 5.332 4.320 0.001 0.000 0.329 531 A C 0.195 177.842 177.584 0.105 0.000 1.146 531 A CA 0.005 52.093 52.037 0.086 0.000 0.800 531 A CB 1.774 20.859 19.000 0.142 0.000 1.220 531 A HN 1.097 nan 8.150 nan 0.000 0.472 532 G N -0.678 108.199 108.800 0.128 0.000 2.730 532 G HA2 0.478 4.439 3.960 0.001 0.000 0.289 532 G HA3 0.478 4.439 3.960 0.001 0.000 0.289 532 G C 0.417 175.429 174.900 0.188 0.000 1.341 532 G CA 0.251 45.516 45.100 0.276 0.000 0.932 532 G HN 0.559 nan 8.290 nan 0.000 0.481 533 T N -0.549 114.093 114.554 0.147 0.000 2.929 533 T HA 0.295 4.646 4.350 0.001 0.000 0.271 533 T C 1.071 175.822 174.700 0.086 0.000 1.085 533 T CA 1.458 63.553 62.100 -0.009 0.000 1.125 533 T CB -0.237 68.504 68.868 -0.212 0.000 0.874 533 T HN 1.204 nan 8.240 nan 0.000 0.494 534 G N -0.261 108.607 108.800 0.113 0.000 2.489 534 G HA2 0.390 4.350 3.960 0.001 0.000 0.305 534 G HA3 0.390 4.350 3.960 0.001 0.000 0.305 534 G C 0.169 175.056 174.900 -0.021 0.000 1.311 534 G CA 0.011 45.150 45.100 0.065 0.000 0.813 534 G HN 0.006 nan 8.290 nan 0.000 0.480 535 E N -0.738 119.359 120.200 -0.172 0.000 2.021 535 E HA -0.202 4.148 4.350 0.001 0.000 0.200 535 E C 2.384 178.891 176.600 -0.155 0.000 1.015 535 E CA 1.989 58.233 56.400 -0.259 0.000 0.824 535 E CB -0.176 29.238 29.700 -0.478 0.000 0.762 535 E HN 0.359 nan 8.360 nan 0.000 0.454 536 L N 0.650 121.772 121.223 -0.169 0.000 1.943 536 L HA -0.223 4.117 4.340 0.001 0.000 0.215 536 L C 2.596 179.376 176.870 -0.151 0.000 1.074 536 L CA 2.784 57.508 54.840 -0.195 0.000 0.759 536 L CB -1.040 40.852 42.059 -0.278 0.000 0.888 536 L HN 0.387 nan 8.230 nan 0.000 0.433 537 H N -0.870 118.098 119.070 -0.170 0.000 2.330 537 H HA -0.299 4.257 4.556 0.001 0.000 0.290 537 H C 1.960 177.255 175.328 -0.054 0.000 1.111 537 H CA 2.859 58.858 56.048 -0.083 0.000 1.226 537 H CB -0.506 29.236 29.762 -0.033 0.000 1.355 537 H HN 0.394 nan 8.280 nan 0.000 0.485 538 L N 0.439 121.606 121.223 -0.095 0.000 2.027 538 L HA -0.078 4.262 4.340 0.001 0.000 0.206 538 L C 2.412 179.198 176.870 -0.140 0.000 1.074 538 L CA 2.352 57.119 54.840 -0.121 0.000 0.745 538 L CB -1.022 41.024 42.059 -0.022 0.000 0.898 538 L HN 0.385 nan 8.230 nan 0.000 0.433 539 E N 0.172 120.301 120.200 -0.119 0.000 2.048 539 E HA -0.253 4.097 4.350 0.001 0.000 0.202 539 E C 2.075 178.592 176.600 -0.138 0.000 1.021 539 E CA 2.368 58.698 56.400 -0.115 0.000 0.825 539 E CB -0.420 29.207 29.700 -0.123 0.000 0.756 539 E HN 0.473 nan 8.360 nan 0.000 0.454 540 I N 0.740 121.214 120.570 -0.159 0.000 2.069 540 I HA -0.367 3.804 4.170 0.001 0.000 0.237 540 I C 2.649 178.691 176.117 -0.125 0.000 1.053 540 I CA 1.444 62.674 61.300 -0.117 0.000 1.311 540 I CB -1.917 36.060 38.000 -0.039 0.000 1.030 540 I HN 0.292 nan 8.210 nan 0.000 0.398 541 C N 0.939 120.130 119.300 -0.183 0.000 2.398 541 C HA -0.180 4.280 4.460 0.001 0.000 0.279 541 C C 3.000 177.918 174.990 -0.120 0.000 1.250 541 C CA 0.525 59.447 59.018 -0.160 0.000 1.786 541 C CB -1.580 26.017 27.740 -0.240 0.000 2.018 541 C HN 0.482 nan 8.230 nan 0.000 0.494 542 L N 0.337 121.480 121.223 -0.132 0.000 2.005 542 L HA -0.209 4.131 4.340 0.001 0.000 0.207 542 L C 2.866 179.622 176.870 -0.190 0.000 1.072 542 L CA 1.677 56.441 54.840 -0.126 0.000 0.744 542 L CB -0.879 41.117 42.059 -0.104 0.000 0.895 542 L HN 0.445 nan 8.230 nan 0.000 0.433 543 Q N 0.400 120.045 119.800 -0.258 0.000 1.956 543 Q HA -0.275 4.066 4.340 0.001 0.000 0.208 543 Q C 1.782 177.446 176.000 -0.560 0.000 0.998 543 Q CA 2.222 57.689 55.803 -0.560 0.000 0.855 543 Q CB -0.505 28.012 28.738 -0.369 0.000 0.928 543 Q HN 0.442 nan 8.270 nan 0.000 0.418 544 D N 0.376 120.645 120.400 -0.219 0.000 2.239 544 D HA -0.185 4.456 4.640 0.001 0.000 0.202 544 D C 1.560 177.902 176.300 0.070 0.000 0.993 544 D CA 0.840 54.809 54.000 -0.052 0.000 0.874 544 D CB -0.108 40.713 40.800 0.035 0.000 0.922 544 D HN 0.094 nan 8.370 nan 0.000 0.464 545 L N 0.404 121.660 121.223 0.055 0.000 2.084 545 L HA 0.013 4.354 4.340 0.001 0.000 0.202 545 L C 1.883 178.783 176.870 0.050 0.000 1.074 545 L CA 1.588 56.501 54.840 0.122 0.000 0.757 545 L CB -0.415 41.645 42.059 0.003 0.000 0.918 545 L HN -0.074 nan 8.230 nan 0.000 0.444 546 E N -1.872 118.312 120.200 -0.027 0.000 2.409 546 E HA -0.189 4.162 4.350 0.001 0.000 0.198 546 E C 1.499 178.239 176.600 0.232 0.000 1.024 546 E CA 0.864 57.301 56.400 0.061 0.000 0.861 546 E CB 0.008 29.738 29.700 0.050 0.000 0.788 546 E HN 0.735 nan 8.360 nan 0.000 0.521 547 H N -1.275 117.797 119.070 0.003 0.000 2.481 547 H HA 0.072 4.629 4.556 0.001 0.000 0.291 547 H C 0.914 176.219 175.328 -0.039 0.000 1.009 547 H CA 0.282 56.320 56.048 -0.016 0.000 1.282 547 H CB 0.602 30.354 29.762 -0.018 0.000 1.457 547 H HN 0.102 nan 8.280 nan 0.000 0.525 548 D N -0.386 120.051 120.400 0.060 0.000 3.061 548 D HA -0.011 4.629 4.640 0.001 0.000 0.243 548 D C 1.777 178.032 176.300 -0.075 0.000 1.572 548 D CA -0.027 53.929 54.000 -0.073 0.000 1.269 548 D CB -0.521 40.144 40.800 -0.225 0.000 1.023 548 D HN 0.237 nan 8.370 nan 0.000 0.280 549 H N 1.785 120.848 119.070 -0.010 0.000 2.375 549 H HA -0.123 4.434 4.556 0.001 0.000 0.289 549 H C 0.890 176.204 175.328 -0.023 0.000 1.121 549 H CA 1.397 57.431 56.048 -0.023 0.000 1.207 549 H CB -0.467 29.274 29.762 -0.035 0.000 1.355 549 H HN 0.132 nan 8.280 nan 0.000 0.486 550 A N 0.316 123.208 122.820 0.119 0.000 2.371 550 A HA 0.403 4.723 4.320 0.001 0.000 0.257 550 A C 1.794 179.397 177.584 0.031 0.000 1.089 550 A CA 0.259 52.328 52.037 0.055 0.000 0.794 550 A CB 0.447 19.471 19.000 0.041 0.000 1.029 550 A HN 0.388 nan 8.150 nan 0.000 0.488 551 G N -0.099 108.710 108.800 0.015 0.000 2.712 551 G HA2 0.364 4.324 3.960 0.001 0.000 0.212 551 G HA3 0.364 4.324 3.960 0.001 0.000 0.212 551 G C 0.340 175.246 174.900 0.010 0.000 1.142 551 G CA 1.188 46.293 45.100 0.009 0.000 0.789 551 G HN 1.069 nan 8.290 nan 0.000 0.535 552 V N -1.017 118.906 119.914 0.015 0.000 3.258 552 V HA 0.461 4.582 4.120 0.001 0.000 0.298 552 V C -2.449 173.662 176.094 0.029 0.000 1.489 552 V CA -1.711 60.599 62.300 0.017 0.000 1.062 552 V CB 2.164 33.992 31.823 0.010 0.000 1.116 552 V HN -0.015 nan 8.190 nan 0.000 0.464 553 P HA 0.469 nan 4.420 nan 0.000 0.271 553 P C -1.430 175.889 177.300 0.032 0.000 1.233 553 P CA 0.105 63.231 63.100 0.044 0.000 0.789 553 P CB 0.306 32.026 31.700 0.034 0.000 0.951 554 L N -0.272 120.973 121.223 0.036 0.000 2.415 554 L HA 0.592 4.932 4.340 0.001 0.000 0.256 554 L C -0.355 176.527 176.870 0.020 0.000 1.010 554 L CA -1.049 53.802 54.840 0.020 0.000 0.826 554 L CB 1.929 43.992 42.059 0.007 0.000 1.405 554 L HN 0.058 nan 8.230 nan 0.000 0.410 555 K N 1.937 122.345 120.400 0.014 0.000 2.450 555 K HA 0.637 4.958 4.320 0.001 0.000 0.257 555 K C -0.824 175.782 176.600 0.010 0.000 0.953 555 K CA -0.447 55.848 56.287 0.014 0.000 0.844 555 K CB 2.285 34.795 32.500 0.016 0.000 1.103 555 K HN 0.336 nan 8.250 nan 0.000 0.429 556 I N 0.426 121.001 120.570 0.008 0.000 4.011 556 I HA 0.386 4.557 4.170 0.001 0.000 0.258 556 I C 0.533 176.656 176.117 0.010 0.000 1.393 556 I CA -0.373 60.930 61.300 0.005 0.000 1.045 556 I CB 0.762 38.762 38.000 -0.000 0.000 1.523 556 I HN 0.681 nan 8.210 nan 0.000 0.613 557 S N -1.316 114.391 115.700 0.012 0.000 2.565 557 S HA 0.643 5.114 4.470 0.001 0.000 0.269 557 S C -2.981 171.633 174.600 0.023 0.000 1.153 557 S CA -1.305 56.903 58.200 0.014 0.000 0.835 557 S CB 0.842 64.045 63.200 0.006 0.000 1.122 557 S HN 0.245 nan 8.310 nan 0.000 0.462 558 P HA 0.121 nan 4.420 nan 0.000 0.271 558 P C -2.438 174.899 177.300 0.062 0.000 1.197 558 P CA -0.273 62.853 63.100 0.044 0.000 0.777 558 P CB -0.497 31.219 31.700 0.026 0.000 0.827 559 P HA 0.110 nan 4.420 nan 0.000 0.276 559 P C -1.035 176.342 177.300 0.128 0.000 1.230 559 P CA 0.217 63.420 63.100 0.171 0.000 0.776 559 P CB 0.729 32.654 31.700 0.374 0.000 0.888 560 V N 3.943 123.933 119.914 0.127 0.000 2.656 560 V HA 0.216 4.337 4.120 0.001 0.000 0.307 560 V C 0.355 176.524 176.094 0.126 0.000 1.051 560 V CA -0.892 61.475 62.300 0.112 0.000 0.893 560 V CB 2.380 34.261 31.823 0.096 0.000 0.999 560 V HN 0.292 nan 8.190 nan 0.000 0.426 561 V N 3.514 123.488 119.914 0.100 0.000 2.546 561 V HA 0.599 4.719 4.120 0.001 0.000 0.284 561 V C 0.706 176.758 176.094 -0.069 0.000 1.050 561 V CA -0.328 61.959 62.300 -0.023 0.000 0.981 561 V CB 1.607 33.321 31.823 -0.182 0.000 0.990 561 V HN 1.018 nan 8.190 nan 0.000 0.474 562 A N 4.848 127.632 122.820 -0.060 0.000 2.362 562 A HA 0.656 4.976 4.320 0.001 0.000 0.276 562 A C -0.818 176.779 177.584 0.021 0.000 1.153 562 A CA -0.123 51.941 52.037 0.045 0.000 0.813 562 A CB -0.024 19.039 19.000 0.105 0.000 1.081 562 A HN 0.721 nan 8.150 nan 0.000 0.507 563 Y N 1.089 121.508 120.300 0.198 0.000 2.679 563 Y HA 0.772 5.323 4.550 0.001 0.000 0.331 563 Y C 0.605 176.493 175.900 -0.021 0.000 1.183 563 Y CA -0.513 57.729 58.100 0.238 0.000 1.290 563 Y CB 1.241 39.899 38.460 0.330 0.000 1.489 563 Y HN 0.645 nan 8.280 nan 0.000 0.583 564 R N 0.254 120.834 120.500 0.132 0.000 2.651 564 R HA 0.336 4.676 4.340 0.001 0.000 0.278 564 R C -1.747 174.567 176.300 0.024 0.000 1.010 564 R CA -0.913 55.093 56.100 -0.158 0.000 0.896 564 R CB 1.604 31.575 30.300 -0.549 0.000 1.211 564 R HN 0.587 nan 8.270 nan 0.000 0.456 565 E N 0.916 121.108 120.200 -0.014 0.000 2.134 565 E HA 0.426 4.777 4.350 0.001 0.000 0.278 565 E C -0.613 176.131 176.600 0.239 0.000 0.959 565 E CA -0.348 56.135 56.400 0.139 0.000 0.783 565 E CB 2.052 31.746 29.700 -0.011 0.000 1.095 565 E HN 0.403 nan 8.360 nan 0.000 0.399 566 T N 0.996 115.737 114.554 0.312 0.000 2.812 566 T HA 0.543 4.893 4.350 0.001 0.000 0.294 566 T C -1.206 173.502 174.700 0.014 0.000 1.159 566 T CA -0.675 61.558 62.100 0.222 0.000 1.008 566 T CB 1.436 70.355 68.868 0.085 0.000 1.289 566 T HN 0.257 nan 8.240 nan 0.000 0.514 567 V N 0.823 120.677 119.914 -0.099 0.000 2.881 567 V HA 0.795 4.915 4.120 0.001 0.000 0.316 567 V C 0.468 176.492 176.094 -0.117 0.000 1.070 567 V CA -0.583 61.565 62.300 -0.254 0.000 0.976 567 V CB 1.662 33.290 31.823 -0.324 0.000 1.038 567 V HN 0.926 nan 8.190 nan 0.000 0.446 568 E N 1.218 121.345 120.200 -0.122 0.000 2.473 568 E HA 0.286 4.636 4.350 0.001 0.000 0.204 568 E C 0.567 177.128 176.600 -0.066 0.000 0.994 568 E CA 0.822 57.181 56.400 -0.068 0.000 0.945 568 E CB 0.562 30.227 29.700 -0.058 0.000 0.990 568 E HN 1.114 nan 8.360 nan 0.000 0.493 569 S N -1.772 113.873 115.700 -0.092 0.000 2.757 569 S HA 0.338 4.808 4.470 0.001 0.000 0.285 569 S C -0.674 173.869 174.600 -0.095 0.000 1.196 569 S CA -1.099 57.051 58.200 -0.082 0.000 0.856 569 S CB 1.119 64.272 63.200 -0.078 0.000 1.212 569 S HN 0.064 nan 8.310 nan 0.000 0.516 570 E N 0.751 120.899 120.200 -0.087 0.000 2.366 570 E HA 0.419 4.770 4.350 0.001 0.000 0.266 570 E C -0.602 175.936 176.600 -0.104 0.000 1.051 570 E CA -0.466 55.881 56.400 -0.088 0.000 0.884 570 E CB 0.744 30.396 29.700 -0.081 0.000 1.006 570 E HN 0.568 nan 8.360 nan 0.000 0.417 571 S N 2.306 117.945 115.700 -0.101 0.000 2.593 571 S HA -0.073 4.398 4.470 0.001 0.000 0.300 571 S C 1.180 175.691 174.600 -0.149 0.000 1.267 571 S CA -0.018 58.107 58.200 -0.126 0.000 1.065 571 S CB 0.846 63.994 63.200 -0.088 0.000 0.807 571 S HN 0.586 nan 8.310 nan 0.000 0.499 572 S N 2.568 118.147 115.700 -0.203 0.000 2.389 572 S HA -0.202 4.269 4.470 0.001 0.000 0.231 572 S C 0.861 175.349 174.600 -0.187 0.000 1.052 572 S CA 1.604 59.681 58.200 -0.205 0.000 1.053 572 S CB -0.311 62.719 63.200 -0.282 0.000 0.886 572 S HN 0.923 nan 8.310 nan 0.000 0.456 573 Q N -1.137 118.530 119.800 -0.223 0.000 2.534 573 Q HA 0.468 4.809 4.340 0.001 0.000 0.290 573 Q C -1.445 174.506 176.000 -0.082 0.000 0.991 573 Q CA -0.919 54.794 55.803 -0.150 0.000 0.783 573 Q CB 0.774 29.402 28.738 -0.183 0.000 1.470 573 Q HN -0.099 nan 8.270 nan 0.000 0.406 574 T N 1.424 115.988 114.554 0.016 0.000 2.905 574 T HA 0.326 4.676 4.350 0.001 0.000 0.299 574 T C -0.071 174.775 174.700 0.243 0.000 1.024 574 T CA 0.605 62.772 62.100 0.111 0.000 1.151 574 T CB 0.261 69.220 68.868 0.151 0.000 0.987 574 T HN 0.584 nan 8.240 nan 0.000 0.535 575 A N 3.285 126.239 122.820 0.223 0.000 2.310 575 A HA 0.740 5.060 4.320 0.001 0.000 0.299 575 A C -0.493 177.189 177.584 0.164 0.000 1.147 575 A CA -0.688 51.543 52.037 0.322 0.000 0.818 575 A CB 0.490 19.631 19.000 0.236 0.000 1.096 575 A HN 0.756 nan 8.150 nan 0.000 0.495 576 L N 1.303 122.475 121.223 -0.085 0.000 2.472 576 L HA 0.835 5.175 4.340 0.001 0.000 0.260 576 L C -0.627 175.933 176.870 -0.515 0.000 0.963 576 L CA 0.227 54.797 54.840 -0.450 0.000 0.829 576 L CB 2.260 43.970 42.059 -0.581 0.000 1.348 576 L HN 0.593 nan 8.230 nan 0.000 0.408 577 S N 2.038 117.513 115.700 -0.376 0.000 2.556 577 S HA 0.781 5.252 4.470 0.001 0.000 0.271 577 S C -1.734 172.733 174.600 -0.222 0.000 1.135 577 S CA -0.910 57.149 58.200 -0.235 0.000 0.858 577 S CB 2.037 65.183 63.200 -0.091 0.000 1.114 577 S HN 0.768 nan 8.310 nan 0.000 0.468 578 K N -0.341 119.969 120.400 -0.150 0.000 2.435 578 K HA 0.757 5.077 4.320 0.001 0.000 0.251 578 K C -0.133 176.434 176.600 -0.056 0.000 0.954 578 K CA -0.795 55.426 56.287 -0.111 0.000 0.820 578 K CB 1.445 33.878 32.500 -0.112 0.000 1.292 578 K HN 0.563 nan 8.250 nan 0.000 0.436 579 S N 0.527 116.212 115.700 -0.026 0.000 2.606 579 S HA 0.105 4.575 4.470 0.001 0.000 0.257 579 S C -1.765 172.836 174.600 0.002 0.000 1.327 579 S CA -0.804 57.394 58.200 -0.004 0.000 0.984 579 S CB 0.224 63.435 63.200 0.019 0.000 0.941 579 S HN 0.527 nan 8.310 nan 0.000 0.576 580 P HA -0.030 nan 4.420 nan 0.000 0.216 580 P C 1.224 178.545 177.300 0.035 0.000 1.153 580 P CA 0.863 63.968 63.100 0.008 0.000 0.848 580 P CB -0.109 31.591 31.700 -0.000 0.000 0.787 581 N N 0.082 118.824 118.700 0.070 0.000 2.069 581 N HA -0.195 4.546 4.740 0.001 0.000 0.196 581 N C 0.587 176.217 175.510 0.201 0.000 1.024 581 N CA 1.384 54.541 53.050 0.179 0.000 0.869 581 N CB -0.382 38.244 38.487 0.232 0.000 1.035 581 N HN 0.176 nan 8.380 nan 0.000 0.434 582 K N -2.161 118.284 120.400 0.075 0.000 3.395 582 K HA -0.144 4.176 4.320 0.001 0.000 0.293 582 K C -0.112 176.370 176.600 -0.196 0.000 1.344 582 K CA 0.487 56.735 56.287 -0.065 0.000 0.864 582 K CB -1.645 30.793 32.500 -0.102 0.000 1.483 582 K HN 0.493 nan 8.250 nan 0.000 0.497 583 H N -0.486 118.610 119.070 0.044 0.000 2.885 583 H HA 0.138 4.694 4.556 0.001 0.000 0.260 583 H C 0.092 175.459 175.328 0.065 0.000 0.985 583 H CA 0.203 56.300 56.048 0.082 0.000 1.210 583 H CB 0.581 30.464 29.762 0.201 0.000 1.466 583 H HN 0.283 nan 8.280 nan 0.000 0.493 584 N N 0.951 119.729 118.700 0.130 0.000 2.321 584 N HA 0.448 5.189 4.740 0.001 0.000 0.299 584 N C -0.726 174.783 175.510 -0.001 0.000 1.048 584 N CA -0.515 52.582 53.050 0.078 0.000 0.836 584 N CB 2.127 40.662 38.487 0.078 0.000 1.269 584 N HN -0.022 nan 8.380 nan 0.000 0.486 585 R N 1.278 121.764 120.500 -0.024 0.000 2.744 585 R HA 0.619 4.959 4.340 0.001 0.000 0.279 585 R C -1.083 175.127 176.300 -0.150 0.000 0.977 585 R CA -0.682 55.326 56.100 -0.154 0.000 0.906 585 R CB 2.099 32.261 30.300 -0.231 0.000 1.197 585 R HN 0.439 nan 8.270 nan 0.000 0.463 586 I N 2.446 122.858 120.570 -0.264 0.000 2.499 586 I HA 0.336 4.506 4.170 0.001 0.000 0.288 586 I C -1.264 174.694 176.117 -0.266 0.000 1.048 586 I CA -0.761 60.450 61.300 -0.149 0.000 1.062 586 I CB 1.611 39.574 38.000 -0.062 0.000 1.238 586 I HN 0.480 nan 8.210 nan 0.000 0.426 587 Y N 7.083 127.365 120.300 -0.030 0.000 2.335 587 Y HA 0.695 5.246 4.550 0.001 0.000 0.338 587 Y C -0.259 175.624 175.900 -0.028 0.000 0.977 587 Y CA -0.859 57.226 58.100 -0.025 0.000 1.114 587 Y CB 1.671 40.117 38.460 -0.024 0.000 1.182 587 Y HN 0.379 nan 8.280 nan 0.000 0.463 588 L N 0.179 121.477 121.223 0.126 0.000 2.630 588 L HA 0.785 5.126 4.340 0.001 0.000 0.258 588 L C -1.589 175.319 176.870 0.062 0.000 1.072 588 L CA -1.437 53.440 54.840 0.061 0.000 0.885 588 L CB 2.228 44.303 42.059 0.027 0.000 1.502 588 L HN 0.425 nan 8.230 nan 0.000 0.406 589 K N 0.065 120.479 120.400 0.023 0.000 2.502 589 K HA 0.921 5.242 4.320 0.001 0.000 0.257 589 K C -1.616 174.988 176.600 0.006 0.000 0.938 589 K CA -0.537 55.757 56.287 0.011 0.000 0.819 589 K CB 2.453 34.943 32.500 -0.017 0.000 1.333 589 K HN 1.102 nan 8.250 nan 0.000 0.434 590 A N 2.296 125.121 122.820 0.008 0.000 2.337 590 A HA 0.624 4.945 4.320 0.001 0.000 0.329 590 A C -1.205 176.365 177.584 -0.024 0.000 1.146 590 A CA -0.511 51.539 52.037 0.021 0.000 0.800 590 A CB 0.912 19.952 19.000 0.067 0.000 1.220 590 A HN 0.816 nan 8.150 nan 0.000 0.472 591 E N 1.328 121.520 120.200 -0.015 0.000 2.413 591 E HA 0.632 4.983 4.350 0.001 0.000 0.277 591 E C -3.142 173.454 176.600 -0.007 0.000 0.958 591 E CA -2.222 54.155 56.400 -0.038 0.000 0.779 591 E CB 1.706 31.366 29.700 -0.067 0.000 1.278 591 E HN 0.273 nan 8.360 nan 0.000 0.456 592 P HA 0.116 nan 4.420 nan 0.000 0.269 592 P C -0.598 176.737 177.300 0.059 0.000 1.215 592 P CA -0.079 63.032 63.100 0.018 0.000 0.780 592 P CB 0.445 32.145 31.700 0.000 0.000 0.898 593 I N 1.896 122.523 120.570 0.095 0.000 2.441 593 I HA 0.222 4.392 4.170 0.001 0.000 0.295 593 I C 0.300 176.493 176.117 0.127 0.000 0.994 593 I CA -0.617 60.775 61.300 0.152 0.000 1.144 593 I CB 1.368 39.464 38.000 0.160 0.000 1.314 593 I HN 0.210 nan 8.210 nan 0.000 0.445 594 D N 5.507 126.000 120.400 0.155 0.000 2.424 594 D HA -0.012 4.628 4.640 0.001 0.000 0.244 594 D C 1.137 177.503 176.300 0.111 0.000 1.134 594 D CA -0.104 53.973 54.000 0.130 0.000 0.881 594 D CB 1.640 42.537 40.800 0.161 0.000 1.191 594 D HN 0.448 nan 8.370 nan 0.000 0.445 595 E N 1.884 122.146 120.200 0.103 0.000 2.147 595 E HA -0.227 4.124 4.350 0.001 0.000 0.199 595 E C 1.461 178.120 176.600 0.099 0.000 1.005 595 E CA 1.232 57.695 56.400 0.104 0.000 0.810 595 E CB 0.208 29.974 29.700 0.110 0.000 0.736 595 E HN 0.543 nan 8.360 nan 0.000 0.460 596 E N -0.156 120.112 120.200 0.113 0.000 2.058 596 E HA -0.159 4.192 4.350 0.001 0.000 0.194 596 E C 2.246 178.853 176.600 0.012 0.000 0.997 596 E CA 1.575 58.053 56.400 0.130 0.000 0.801 596 E CB -0.021 29.821 29.700 0.237 0.000 0.746 596 E HN 0.132 nan 8.360 nan 0.000 0.450 597 V N 1.019 120.894 119.914 -0.064 0.000 2.343 597 V HA -0.230 3.890 4.120 0.001 0.000 0.247 597 V C 2.334 178.346 176.094 -0.137 0.000 1.051 597 V CA 1.760 63.892 62.300 -0.280 0.000 1.036 597 V CB -0.580 31.143 31.823 -0.166 0.000 0.654 597 V HN 0.144 nan 8.190 nan 0.000 0.451 598 S N 0.401 116.095 115.700 -0.010 0.000 2.359 598 S HA -0.138 4.333 4.470 0.001 0.000 0.224 598 S C 1.911 176.540 174.600 0.050 0.000 1.035 598 S CA 1.449 59.672 58.200 0.038 0.000 1.018 598 S CB -0.394 62.848 63.200 0.071 0.000 0.876 598 S HN 0.347 nan 8.310 nan 0.000 0.448 599 L N 1.634 122.894 121.223 0.061 0.000 2.046 599 L HA 0.001 4.342 4.340 0.001 0.000 0.208 599 L C 2.632 179.529 176.870 0.045 0.000 1.077 599 L CA 1.629 56.519 54.840 0.084 0.000 0.747 599 L CB -1.579 40.539 42.059 0.098 0.000 0.896 599 L HN 0.294 nan 8.230 nan 0.000 0.432 600 A N -0.384 122.421 122.820 -0.026 0.000 1.908 600 A HA -0.212 4.108 4.320 0.001 0.000 0.218 600 A C 2.331 179.887 177.584 -0.047 0.000 1.181 600 A CA 1.977 53.969 52.037 -0.074 0.000 0.627 600 A CB -0.715 18.062 19.000 -0.372 0.000 0.818 600 A HN 0.403 nan 8.150 nan 0.000 0.445 601 I N -0.870 119.677 120.570 -0.038 0.000 2.252 601 I HA -0.224 3.947 4.170 0.001 0.000 0.245 601 I C 2.451 178.574 176.117 0.011 0.000 1.102 601 I CA 1.523 62.829 61.300 0.009 0.000 1.385 601 I CB -0.478 37.581 38.000 0.099 0.000 1.064 601 I HN 0.399 nan 8.210 nan 0.000 0.414 602 E N 0.836 121.064 120.200 0.046 0.000 2.153 602 E HA -0.138 4.213 4.350 0.001 0.000 0.194 602 E C 0.743 177.383 176.600 0.067 0.000 0.988 602 E CA 0.773 57.215 56.400 0.069 0.000 0.811 602 E CB 0.011 29.787 29.700 0.126 0.000 0.746 602 E HN 0.424 nan 8.360 nan 0.000 0.466 603 N N -0.194 118.543 118.700 0.063 0.000 2.451 603 N HA 0.076 4.816 4.740 0.001 0.000 0.264 603 N C 0.549 176.092 175.510 0.055 0.000 1.167 603 N CA 0.664 53.756 53.050 0.070 0.000 0.898 603 N CB 1.077 39.612 38.487 0.080 0.000 1.176 603 N HN 0.234 nan 8.380 nan 0.000 0.507 604 G N 0.893 109.711 108.800 0.031 0.000 2.284 604 G HA2 -0.351 3.610 3.960 0.001 0.000 0.268 604 G HA3 -0.351 3.610 3.960 0.001 0.000 0.268 604 G C 1.206 176.113 174.900 0.011 0.000 0.980 604 G CA 0.602 45.713 45.100 0.018 0.000 0.631 604 G HN 0.366 nan 8.290 nan 0.000 0.548 605 I N 0.937 121.521 120.570 0.023 0.000 2.076 605 I HA -0.065 4.106 4.170 0.001 0.000 0.237 605 I C 1.753 177.882 176.117 0.020 0.000 1.059 605 I CA 1.159 62.484 61.300 0.041 0.000 1.317 605 I CB -1.123 36.930 38.000 0.088 0.000 1.037 605 I HN 0.118 nan 8.210 nan 0.000 0.398 606 I N 3.241 123.800 120.570 -0.018 0.000 2.329 606 I HA 0.093 4.264 4.170 0.001 0.000 0.295 606 I C 0.320 176.409 176.117 -0.045 0.000 1.109 606 I CA 0.139 61.432 61.300 -0.013 0.000 1.297 606 I CB -0.780 37.196 38.000 -0.041 0.000 1.433 606 I HN 0.258 nan 8.210 nan 0.000 0.509 607 N N 8.699 127.367 118.700 -0.054 0.000 2.400 607 N HA 0.331 5.072 4.740 0.001 0.000 0.288 607 N C -2.036 173.329 175.510 -0.241 0.000 1.024 607 N CA -1.742 51.203 53.050 -0.175 0.000 0.894 607 N CB 2.886 41.325 38.487 -0.081 0.000 1.173 607 N HN 0.092 nan 8.380 nan 0.000 0.487 608 P HA -0.021 nan 4.420 nan 0.000 0.216 608 P C 0.594 177.852 177.300 -0.070 0.000 1.150 608 P CA 1.394 64.210 63.100 -0.473 0.000 0.837 608 P CB 0.350 31.668 31.700 -0.637 0.000 0.786 609 R N -1.268 119.184 120.500 -0.080 0.000 2.299 609 R HA 0.053 4.394 4.340 0.001 0.000 0.197 609 R C 0.459 176.778 176.300 0.031 0.000 0.971 609 R CA 0.108 56.204 56.100 -0.007 0.000 1.030 609 R CB -0.516 29.773 30.300 -0.018 0.000 0.932 609 R HN 0.270 nan 8.270 nan 0.000 0.477 610 D N 1.226 121.646 120.400 0.033 0.000 2.352 610 D HA -0.077 4.563 4.640 0.001 0.000 0.238 610 D C -0.218 176.134 176.300 0.086 0.000 1.286 610 D CA 0.227 54.257 54.000 0.050 0.000 0.923 610 D CB 0.290 41.117 40.800 0.046 0.000 1.146 610 D HN -0.017 nan 8.370 nan 0.000 0.471 611 D N -0.781 119.650 120.400 0.053 0.000 2.343 611 D HA 0.033 4.674 4.640 0.001 0.000 0.255 611 D C 1.126 177.441 176.300 0.024 0.000 1.187 611 D CA -0.441 53.582 54.000 0.037 0.000 0.875 611 D CB 0.140 40.905 40.800 -0.059 0.000 1.136 611 D HN 0.331 nan 8.370 nan 0.000 0.469 612 F N 3.195 123.178 119.950 0.056 0.000 2.184 612 F HA -0.165 4.363 4.527 0.001 0.000 0.301 612 F C 1.572 177.407 175.800 0.058 0.000 1.076 612 F CA 0.855 58.895 58.000 0.067 0.000 1.295 612 F CB -0.418 38.626 39.000 0.073 0.000 1.026 612 F HN 0.240 nan 8.300 nan 0.000 0.494 613 K N 1.091 120.992 120.400 -0.833 0.000 2.031 613 K HA 0.020 4.340 4.320 0.001 0.000 0.205 613 K C 2.568 179.045 176.600 -0.205 0.000 1.049 613 K CA 1.099 57.061 56.287 -0.542 0.000 0.939 613 K CB -0.604 31.507 32.500 -0.647 0.000 0.717 613 K HN 0.379 nan 8.250 nan 0.000 0.438 614 A N 1.955 124.676 122.820 -0.165 0.000 1.858 614 A HA -0.210 4.111 4.320 0.001 0.000 0.216 614 A C 2.174 179.745 177.584 -0.022 0.000 1.190 614 A CA 1.616 53.610 52.037 -0.071 0.000 0.617 614 A CB -0.586 18.383 19.000 -0.052 0.000 0.827 614 A HN 0.245 nan 8.150 nan 0.000 0.443 615 R N -0.383 120.116 120.500 -0.002 0.000 2.103 615 R HA -0.173 4.167 4.340 0.001 0.000 0.242 615 R C 2.272 178.591 176.300 0.031 0.000 1.142 615 R CA 1.645 57.766 56.100 0.036 0.000 0.960 615 R CB -0.432 29.917 30.300 0.082 0.000 0.858 615 R HN 0.464 nan 8.270 nan 0.000 0.439 616 A N 0.786 123.626 122.820 0.035 0.000 1.877 616 A HA -0.186 4.134 4.320 0.001 0.000 0.216 616 A C 2.154 179.773 177.584 0.058 0.000 1.186 616 A CA 1.524 53.596 52.037 0.058 0.000 0.620 616 A CB -0.518 18.533 19.000 0.085 0.000 0.822 616 A HN 0.276 nan 8.150 nan 0.000 0.443 617 R N 0.228 120.744 120.500 0.028 0.000 2.103 617 R HA -0.100 4.240 4.340 0.001 0.000 0.242 617 R C 1.810 178.140 176.300 0.049 0.000 1.142 617 R CA 1.899 58.017 56.100 0.030 0.000 0.960 617 R CB -0.802 29.499 30.300 0.002 0.000 0.858 617 R HN 0.627 nan 8.270 nan 0.000 0.439 618 I N -0.371 120.232 120.570 0.054 0.000 2.127 618 I HA -0.343 3.828 4.170 0.001 0.000 0.241 618 I C 2.376 178.591 176.117 0.163 0.000 1.075 618 I CA 1.722 63.076 61.300 0.090 0.000 1.334 618 I CB -0.288 37.776 38.000 0.107 0.000 1.040 618 I HN 0.215 nan 8.210 nan 0.000 0.405 619 M N 0.209 119.894 119.600 0.140 0.000 2.159 619 M HA -0.202 4.278 4.480 0.001 0.000 0.263 619 M C 2.506 178.952 176.300 0.242 0.000 1.063 619 M CA 1.929 57.319 55.300 0.151 0.000 1.110 619 M CB -0.463 32.017 32.600 -0.199 0.000 1.374 619 M HN 0.362 nan 8.290 nan 0.000 0.411 620 A N 0.563 123.499 122.820 0.193 0.000 1.845 620 A HA -0.175 4.146 4.320 0.001 0.000 0.215 620 A C 1.616 179.282 177.584 0.137 0.000 1.195 620 A CA 2.052 54.207 52.037 0.197 0.000 0.616 620 A CB -0.774 18.309 19.000 0.138 0.000 0.832 620 A HN 0.351 nan 8.150 nan 0.000 0.443 621 D N 0.596 121.044 120.400 0.080 0.000 2.127 621 D HA -0.115 4.525 4.640 0.001 0.000 0.206 621 D C 1.263 177.541 176.300 -0.038 0.000 0.989 621 D CA 1.551 55.563 54.000 0.021 0.000 0.877 621 D CB -0.566 40.233 40.800 -0.001 0.000 1.042 621 D HN 0.398 nan 8.370 nan 0.000 0.455 622 D N -0.996 119.320 120.400 -0.140 0.000 2.378 622 D HA -0.112 4.529 4.640 0.001 0.000 0.222 622 D C 0.589 176.484 176.300 -0.675 0.000 0.980 622 D CA 0.692 54.430 54.000 -0.437 0.000 0.907 622 D CB 0.041 40.455 40.800 -0.644 0.000 0.899 622 D HN 0.413 nan 8.370 nan 0.000 0.527 623 Y N -0.734 119.614 120.300 0.080 0.000 2.717 623 Y HA 0.328 4.878 4.550 0.001 0.000 0.250 623 Y C 1.254 177.292 175.900 0.229 0.000 1.149 623 Y CA -0.582 57.595 58.100 0.129 0.000 1.211 623 Y CB 0.670 39.181 38.460 0.084 0.000 1.289 623 Y HN -0.094 nan 8.280 nan 0.000 0.552 624 G N 0.656 109.617 108.800 0.268 0.000 2.370 624 G HA2 -0.303 3.657 3.960 0.001 0.000 0.293 624 G HA3 -0.303 3.657 3.960 0.001 0.000 0.293 624 G C -0.667 174.422 174.900 0.315 0.000 0.992 624 G CA -0.047 45.190 45.100 0.229 0.000 1.247 624 G HN 0.336 nan 8.290 nan 0.000 0.505 625 W N -0.159 121.189 121.300 0.081 0.000 2.761 625 W HA 0.526 5.187 4.660 0.001 0.000 0.340 625 W C -0.285 176.261 176.519 0.044 0.000 1.072 625 W CA -0.909 56.474 57.345 0.062 0.000 1.215 625 W CB 1.394 30.902 29.460 0.079 0.000 1.420 625 W HN 0.154 nan 8.180 nan 0.000 0.519 626 D N 2.211 122.699 120.400 0.147 0.000 2.346 626 D HA -0.027 4.614 4.640 0.001 0.000 0.260 626 D C 1.300 177.709 176.300 0.182 0.000 1.252 626 D CA 0.327 54.389 54.000 0.103 0.000 0.895 626 D CB 1.610 42.414 40.800 0.007 0.000 1.097 626 D HN 0.245 nan 8.370 nan 0.000 0.489 627 V N 3.585 123.592 119.914 0.156 0.000 2.764 627 V HA -0.294 3.826 4.120 0.001 0.000 0.261 627 V C 1.815 177.999 176.094 0.150 0.000 1.108 627 V CA 2.151 64.544 62.300 0.154 0.000 1.129 627 V CB -0.232 31.654 31.823 0.104 0.000 0.701 627 V HN 0.613 nan 8.190 nan 0.000 0.495 628 T N -0.404 114.220 114.554 0.118 0.000 2.732 628 T HA -0.132 4.219 4.350 0.001 0.000 0.261 628 T C 1.593 176.366 174.700 0.122 0.000 1.040 628 T CA 1.540 63.700 62.100 0.100 0.000 1.145 628 T CB -0.356 68.545 68.868 0.054 0.000 0.866 628 T HN 0.556 nan 8.240 nan 0.000 0.427 629 D N 1.584 122.058 120.400 0.124 0.000 2.092 629 D HA -0.065 4.576 4.640 0.001 0.000 0.193 629 D C 2.402 178.878 176.300 0.293 0.000 0.994 629 D CA 1.410 55.499 54.000 0.148 0.000 0.828 629 D CB -0.587 40.239 40.800 0.043 0.000 0.963 629 D HN 0.368 nan 8.370 nan 0.000 0.450 630 A N 1.005 124.083 122.820 0.429 0.000 1.986 630 A HA -0.217 4.104 4.320 0.001 0.000 0.220 630 A C 2.099 179.813 177.584 0.218 0.000 1.171 630 A CA 1.380 53.604 52.037 0.312 0.000 0.640 630 A CB -0.541 18.603 19.000 0.239 0.000 0.811 630 A HN 0.171 nan 8.150 nan 0.000 0.451 631 R N -0.842 119.800 120.500 0.237 0.000 2.307 631 R HA 0.037 4.377 4.340 0.001 0.000 0.199 631 R C 0.609 177.051 176.300 0.237 0.000 1.000 631 R CA 0.648 56.937 56.100 0.315 0.000 1.023 631 R CB 0.083 30.572 30.300 0.316 0.000 0.908 631 R HN 0.214 nan 8.270 nan 0.000 0.473 632 K N 0.754 121.256 120.400 0.170 0.000 2.437 632 K HA 0.218 4.539 4.320 0.001 0.000 0.205 632 K C 0.102 176.776 176.600 0.124 0.000 1.026 632 K CA -0.026 56.333 56.287 0.119 0.000 1.153 632 K CB 0.504 33.030 32.500 0.042 0.000 0.863 632 K HN 0.154 nan 8.250 nan 0.000 0.502 633 I N 0.801 121.451 120.570 0.134 0.000 2.598 633 I HA -0.119 4.052 4.170 0.001 0.000 0.284 633 I C 0.896 177.148 176.117 0.225 0.000 1.140 633 I CA -0.041 61.304 61.300 0.075 0.000 1.420 633 I CB 0.381 38.354 38.000 -0.045 0.000 1.387 633 I HN 0.120 nan 8.210 nan 0.000 0.553 634 W N 6.194 127.426 121.300 -0.112 0.000 2.630 634 W HA 0.153 4.814 4.660 0.001 0.000 0.271 634 W C 0.727 177.222 176.519 -0.040 0.000 1.244 634 W CA -0.258 57.039 57.345 -0.079 0.000 1.353 634 W CB 0.052 29.453 29.460 -0.098 0.000 1.080 634 W HN 0.707 nan 8.180 nan 0.000 0.594 635 C N -3.469 115.914 119.300 0.138 0.000 3.176 635 C HA 0.591 5.051 4.460 0.001 0.000 0.343 635 C C -0.621 174.437 174.990 0.114 0.000 1.332 635 C CA -1.857 57.271 59.018 0.183 0.000 1.200 635 C CB 0.200 28.072 27.740 0.219 0.000 1.440 635 C HN -0.074 nan 8.230 nan 0.000 0.458 636 F N 0.772 120.822 119.950 0.167 0.000 2.585 636 F HA 0.908 5.435 4.527 0.001 0.000 0.350 636 F C 1.082 177.032 175.800 0.251 0.000 1.074 636 F CA 0.672 58.788 58.000 0.194 0.000 1.032 636 F CB 2.380 41.431 39.000 0.085 0.000 1.330 636 F HN 1.239 nan 8.300 nan 0.000 0.495 637 G N 0.600 109.624 108.800 0.374 0.000 2.616 637 G HA2 0.526 4.486 3.960 0.001 0.000 0.294 637 G HA3 0.526 4.486 3.960 0.001 0.000 0.294 637 G C -3.404 171.454 174.900 -0.069 0.000 1.489 637 G CA -1.121 44.017 45.100 0.063 0.000 0.836 637 G HN 0.209 nan 8.290 nan 0.000 0.527 638 P HA 0.287 nan 4.420 nan 0.000 0.297 638 P C -0.342 176.863 177.300 -0.158 0.000 1.303 638 P CA -0.162 62.803 63.100 -0.226 0.000 0.753 638 P CB 0.435 31.960 31.700 -0.292 0.000 1.281 639 D N -1.558 118.717 120.400 -0.209 0.000 2.792 639 D HA -0.206 4.435 4.640 0.001 0.000 0.231 639 D C 0.994 177.238 176.300 -0.093 0.000 1.160 639 D CA 1.729 55.629 54.000 -0.168 0.000 0.697 639 D CB -1.791 38.906 40.800 -0.171 0.000 1.070 639 D HN 0.848 nan 8.370 nan 0.000 0.426 640 G N 1.020 109.796 108.800 -0.040 0.000 2.180 640 G HA2 -0.385 3.576 3.960 0.001 0.000 0.263 640 G HA3 -0.385 3.576 3.960 0.001 0.000 0.263 640 G C 0.549 175.467 174.900 0.030 0.000 0.989 640 G CA 1.221 46.341 45.100 0.033 0.000 0.692 640 G HN 0.739 nan 8.290 nan 0.000 0.526 641 N N -1.587 117.113 118.700 -0.000 0.000 2.036 641 N HA 0.337 5.077 4.740 0.001 0.000 0.224 641 N C 0.817 176.312 175.510 -0.024 0.000 1.381 641 N CA 0.634 53.616 53.050 -0.114 0.000 0.746 641 N CB -0.306 38.072 38.487 -0.182 0.000 1.213 641 N HN 0.696 nan 8.380 nan 0.000 0.524 642 G N 1.033 109.877 108.800 0.073 0.000 2.634 642 G HA2 0.339 4.299 3.960 0.001 0.000 0.255 642 G HA3 0.339 4.299 3.960 0.001 0.000 0.255 642 G C -2.070 172.935 174.900 0.175 0.000 1.205 642 G CA -1.211 43.927 45.100 0.063 0.000 0.884 642 G HN 0.081 nan 8.290 nan 0.000 0.549 643 P HA 0.096 nan 4.420 nan 0.000 0.225 643 P C -0.996 176.378 177.300 0.124 0.000 1.768 643 P CA -0.075 63.100 63.100 0.124 0.000 0.943 643 P CB -0.439 31.297 31.700 0.060 0.000 1.936 644 N N 0.313 119.127 118.700 0.190 0.000 2.308 644 N HA 0.558 5.298 4.740 0.001 0.000 0.283 644 N C -0.988 174.688 175.510 0.277 0.000 1.105 644 N CA -0.657 52.536 53.050 0.238 0.000 0.840 644 N CB 1.841 40.458 38.487 0.217 0.000 1.633 644 N HN -0.050 nan 8.380 nan 0.000 0.476 645 L N 0.327 121.662 121.223 0.188 0.000 2.327 645 L HA 0.789 5.130 4.340 0.001 0.000 0.258 645 L C -1.065 175.625 176.870 -0.299 0.000 1.024 645 L CA -1.223 53.560 54.840 -0.096 0.000 0.825 645 L CB 2.180 44.119 42.059 -0.199 0.000 1.386 645 L HN 0.173 nan 8.230 nan 0.000 0.417 646 V N 2.971 122.610 119.914 -0.459 0.000 2.444 646 V HA 0.467 4.587 4.120 0.001 0.000 0.294 646 V C -0.541 175.389 176.094 -0.274 0.000 1.022 646 V CA -0.397 61.594 62.300 -0.514 0.000 0.850 646 V CB 2.024 33.445 31.823 -0.671 0.000 0.992 646 V HN 0.368 nan 8.190 nan 0.000 0.426 647 I N 3.549 123.971 120.570 -0.246 0.000 2.378 647 I HA 0.323 4.494 4.170 0.001 0.000 0.291 647 I C -0.066 175.839 176.117 -0.354 0.000 0.992 647 I CA -0.589 60.591 61.300 -0.200 0.000 1.154 647 I CB 1.698 39.656 38.000 -0.070 0.000 1.315 647 I HN 0.642 nan 8.210 nan 0.000 0.448 648 D N 6.028 126.135 120.400 -0.488 0.000 2.435 648 D HA 0.103 4.744 4.640 0.001 0.000 0.230 648 D C 0.448 176.566 176.300 -0.303 0.000 1.215 648 D CA 0.194 53.820 54.000 -0.623 0.000 0.947 648 D CB 0.529 40.816 40.800 -0.855 0.000 1.048 648 D HN 0.441 nan 8.370 nan 0.000 0.512 649 Q N 1.851 121.505 119.800 -0.243 0.000 2.246 649 Q HA 0.080 4.421 4.340 0.001 0.000 0.202 649 Q C 0.603 176.529 176.000 -0.123 0.000 0.883 649 Q CA -0.143 55.571 55.803 -0.148 0.000 0.952 649 Q CB 0.373 29.036 28.738 -0.125 0.000 1.078 649 Q HN 0.600 nan 8.270 nan 0.000 0.493 650 T N -0.453 114.014 114.554 -0.145 0.000 2.734 650 T HA 0.148 4.498 4.350 0.001 0.000 0.314 650 T C 0.119 174.785 174.700 -0.057 0.000 1.057 650 T CA -0.377 61.669 62.100 -0.091 0.000 1.047 650 T CB 0.846 69.667 68.868 -0.079 0.000 0.991 650 T HN -0.117 nan 8.240 nan 0.000 0.540 651 K N 1.040 121.415 120.400 -0.040 0.000 2.613 651 K HA 0.573 4.893 4.320 0.001 0.000 0.248 651 K C 0.005 176.594 176.600 -0.019 0.000 0.959 651 K CA -0.349 55.921 56.287 -0.028 0.000 0.855 651 K CB 1.404 33.883 32.500 -0.036 0.000 1.143 651 K HN 1.249 nan 8.250 nan 0.000 0.437 652 A N 1.420 124.235 122.820 -0.008 0.000 2.800 652 A HA -0.140 4.181 4.320 0.001 0.000 0.292 652 A C -0.200 177.379 177.584 -0.008 0.000 1.474 652 A CA 0.440 52.472 52.037 -0.009 0.000 0.744 652 A CB -2.023 16.966 19.000 -0.018 0.000 1.044 652 A HN 0.300 nan 8.150 nan 0.000 0.489 653 V N 2.067 121.988 119.914 0.012 0.000 2.320 653 V HA 0.270 4.391 4.120 0.001 0.000 0.265 653 V C 0.790 176.895 176.094 0.018 0.000 1.048 653 V CA 0.424 62.738 62.300 0.023 0.000 0.865 653 V CB 1.224 33.078 31.823 0.052 0.000 1.043 653 V HN 0.800 nan 8.190 nan 0.000 0.474 654 Q N 4.162 123.924 119.800 -0.064 0.000 2.349 654 Q HA -0.011 4.330 4.340 0.001 0.000 0.287 654 Q C -0.009 175.913 176.000 -0.129 0.000 1.044 654 Q CA 0.300 55.973 55.803 -0.216 0.000 0.918 654 Q CB 0.177 28.630 28.738 -0.474 0.000 1.242 654 Q HN 0.718 nan 8.270 nan 0.000 0.405 655 Y N 0.253 120.596 120.300 0.071 0.000 4.936 655 Y HA -0.340 4.210 4.550 0.001 0.000 0.260 655 Y C 0.803 176.630 175.900 -0.122 0.000 0.928 655 Y CA 0.686 58.751 58.100 -0.058 0.000 1.869 655 Y CB -2.074 36.360 38.460 -0.044 0.000 1.344 655 Y HN 0.709 nan 8.280 nan 0.000 0.521 656 L N 1.636 122.962 121.223 0.172 0.000 2.010 656 L HA -0.280 4.061 4.340 0.001 0.000 0.219 656 L C 2.924 179.913 176.870 0.199 0.000 1.077 656 L CA 2.945 57.914 54.840 0.216 0.000 0.773 656 L CB -0.794 41.427 42.059 0.269 0.000 0.892 656 L HN 0.630 nan 8.230 nan 0.000 0.436 657 H N -1.043 118.126 119.070 0.166 0.000 2.489 657 H HA -0.115 4.441 4.556 0.001 0.000 0.293 657 H C 1.518 176.850 175.328 0.007 0.000 1.066 657 H CA 1.427 57.501 56.048 0.043 0.000 1.305 657 H CB -0.701 29.064 29.762 0.005 0.000 1.386 657 H HN 0.593 nan 8.280 nan 0.000 0.551 658 E N 1.082 120.958 120.200 -0.541 0.000 2.478 658 E HA -0.008 4.343 4.350 0.001 0.000 0.198 658 E C 1.852 178.383 176.600 -0.115 0.000 1.046 658 E CA 0.987 57.203 56.400 -0.307 0.000 0.870 658 E CB 0.066 29.580 29.700 -0.310 0.000 0.818 658 E HN 0.779 nan 8.360 nan 0.000 0.527 659 I N -2.928 117.618 120.570 -0.039 0.000 4.082 659 I HA 0.181 4.352 4.170 0.001 0.000 0.337 659 I C 1.959 178.103 176.117 0.045 0.000 1.352 659 I CA -0.333 60.983 61.300 0.027 0.000 1.097 659 I CB 0.249 38.301 38.000 0.087 0.000 1.048 659 I HN -0.192 nan 8.210 nan 0.000 0.393 660 K N 2.118 122.474 120.400 -0.073 0.000 2.001 660 K HA -0.240 4.081 4.320 0.001 0.000 0.214 660 K C 1.491 177.982 176.600 -0.181 0.000 1.050 660 K CA 2.712 58.785 56.287 -0.357 0.000 0.934 660 K CB -0.106 31.891 32.500 -0.838 0.000 0.718 660 K HN 0.326 nan 8.250 nan 0.000 0.443 661 D N 0.082 120.398 120.400 -0.139 0.000 2.133 661 D HA -0.148 4.492 4.640 0.001 0.000 0.195 661 D C 2.030 178.335 176.300 0.009 0.000 0.997 661 D CA 1.402 55.363 54.000 -0.064 0.000 0.840 661 D CB -0.353 40.418 40.800 -0.048 0.000 0.947 661 D HN 0.193 nan 8.370 nan 0.000 0.452 662 S N -0.016 115.698 115.700 0.024 0.000 2.348 662 S HA -0.107 4.364 4.470 0.001 0.000 0.221 662 S C 2.398 177.064 174.600 0.109 0.000 1.033 662 S CA 0.716 58.952 58.200 0.060 0.000 1.010 662 S CB -0.357 62.871 63.200 0.046 0.000 0.891 662 S HN 0.091 nan 8.310 nan 0.000 0.442 663 V N 1.721 121.725 119.914 0.151 0.000 2.324 663 V HA -0.180 3.941 4.120 0.001 0.000 0.250 663 V C 2.320 178.558 176.094 0.240 0.000 1.060 663 V CA 1.631 64.068 62.300 0.228 0.000 1.042 663 V CB -0.838 31.238 31.823 0.422 0.000 0.650 663 V HN 0.335 nan 8.190 nan 0.000 0.450 664 V N 0.082 120.119 119.914 0.204 0.000 2.307 664 V HA -0.227 3.894 4.120 0.001 0.000 0.245 664 V C 2.711 178.932 176.094 0.212 0.000 1.045 664 V CA 1.902 64.331 62.300 0.215 0.000 1.024 664 V CB -1.171 30.722 31.823 0.117 0.000 0.651 664 V HN 0.559 nan 8.190 nan 0.000 0.449 665 A N 0.236 123.146 122.820 0.151 0.000 1.892 665 A HA -0.211 4.110 4.320 0.001 0.000 0.218 665 A C 2.431 180.146 177.584 0.218 0.000 1.188 665 A CA 2.424 54.554 52.037 0.155 0.000 0.631 665 A CB -0.916 18.166 19.000 0.137 0.000 0.822 665 A HN 0.598 nan 8.150 nan 0.000 0.447 666 A N -1.634 121.311 122.820 0.208 0.000 1.933 666 A HA -0.055 4.265 4.320 0.001 0.000 0.218 666 A C 2.015 179.733 177.584 0.224 0.000 1.175 666 A CA 1.635 53.793 52.037 0.202 0.000 0.628 666 A CB -0.680 18.400 19.000 0.133 0.000 0.814 666 A HN 0.632 nan 8.150 nan 0.000 0.444 667 F N 0.671 120.668 119.950 0.077 0.000 2.216 667 F HA -0.154 4.373 4.527 0.001 0.000 0.300 667 F C 2.395 178.205 175.800 0.017 0.000 1.085 667 F CA 1.756 59.788 58.000 0.054 0.000 1.326 667 F CB -0.127 38.916 39.000 0.071 0.000 1.027 667 F HN 0.219 nan 8.300 nan 0.000 0.497 668 Q N -1.007 118.776 119.800 -0.027 0.000 2.124 668 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 668 Q C 2.162 177.933 176.000 -0.381 0.000 0.977 668 Q CA 1.925 57.577 55.803 -0.252 0.000 0.850 668 Q CB -1.059 27.533 28.738 -0.242 0.000 0.901 668 Q HN 0.600 nan 8.270 nan 0.000 0.429 669 W N 0.622 121.847 121.300 -0.125 0.000 2.443 669 W HA 0.050 4.711 4.660 0.001 0.000 0.296 669 W C 2.489 178.918 176.519 -0.149 0.000 1.202 669 W CA 0.874 58.144 57.345 -0.125 0.000 1.312 669 W CB -0.350 29.052 29.460 -0.096 0.000 1.120 669 W HN 0.128 nan 8.180 nan 0.000 0.536 670 A N 0.212 123.045 122.820 0.021 0.000 1.908 670 A HA -0.242 4.079 4.320 0.001 0.000 0.218 670 A C 1.923 179.435 177.584 -0.120 0.000 1.181 670 A CA 2.622 54.653 52.037 -0.011 0.000 0.627 670 A CB -1.473 17.499 19.000 -0.047 0.000 0.818 670 A HN 0.316 nan 8.150 nan 0.000 0.445 671 T N -2.818 111.507 114.554 -0.382 0.000 3.043 671 T HA -0.002 4.348 4.350 0.001 0.000 0.263 671 T C 1.713 176.227 174.700 -0.310 0.000 1.094 671 T CA 1.450 63.293 62.100 -0.429 0.000 1.127 671 T CB -0.025 68.435 68.868 -0.679 0.000 0.905 671 T HN 0.349 nan 8.240 nan 0.000 0.490 672 K N 2.000 122.235 120.400 -0.275 0.000 2.116 672 K HA 0.083 4.404 4.320 0.001 0.000 0.203 672 K C 0.490 176.988 176.600 -0.171 0.000 1.052 672 K CA 0.945 57.076 56.287 -0.259 0.000 0.952 672 K CB 0.132 32.422 32.500 -0.350 0.000 0.729 672 K HN 0.512 nan 8.250 nan 0.000 0.446 673 E N 0.277 120.427 120.200 -0.085 0.000 2.460 673 E HA 0.275 4.626 4.350 0.001 0.000 0.249 673 E C -0.676 175.862 176.600 -0.103 0.000 0.962 673 E CA -0.512 55.841 56.400 -0.079 0.000 0.787 673 E CB 1.380 31.094 29.700 0.024 0.000 1.341 673 E HN 0.357 nan 8.360 nan 0.000 0.407 674 G N 2.743 111.374 108.800 -0.281 0.000 2.683 674 G HA2 0.107 4.068 3.960 0.001 0.000 0.260 674 G HA3 0.107 4.068 3.960 0.001 0.000 0.260 674 G C -1.424 173.089 174.900 -0.645 0.000 1.238 674 G CA -0.723 44.064 45.100 -0.521 0.000 0.934 674 G HN 0.295 nan 8.290 nan 0.000 0.534 675 P HA 0.111 nan 4.420 nan 0.000 0.251 675 P C 1.552 178.722 177.300 -0.216 0.000 1.223 675 P CA 0.241 62.890 63.100 -0.752 0.000 0.796 675 P CB 0.398 31.461 31.700 -1.061 0.000 1.068 676 I N -0.176 120.344 120.570 -0.082 0.000 2.277 676 I HA -0.068 4.102 4.170 0.001 0.000 0.243 676 I C 1.327 177.651 176.117 0.345 0.000 1.094 676 I CA 1.570 62.981 61.300 0.185 0.000 1.393 676 I CB -0.187 38.012 38.000 0.332 0.000 1.078 676 I HN -0.072 nan 8.210 nan 0.000 0.417 677 F N -1.744 118.161 119.950 -0.075 0.000 2.426 677 F HA 0.483 5.011 4.527 0.001 0.000 0.376 677 F C 0.533 176.325 175.800 -0.014 0.000 1.348 677 F CA -0.218 57.769 58.000 -0.022 0.000 1.022 677 F CB -0.495 38.513 39.000 0.013 0.000 1.740 677 F HN 0.014 nan 8.300 nan 0.000 0.472 678 G N 0.008 108.678 108.800 -0.216 0.000 2.184 678 G HA2 -0.249 3.712 3.960 0.001 0.000 0.264 678 G HA3 -0.249 3.712 3.960 0.001 0.000 0.264 678 G C 0.148 174.847 174.900 -0.336 0.000 0.975 678 G CA 0.508 45.449 45.100 -0.264 0.000 0.642 678 G HN 0.498 nan 8.290 nan 0.000 0.536 679 E N 0.733 120.606 120.200 -0.544 0.000 2.345 679 E HA 0.349 4.700 4.350 0.001 0.000 0.259 679 E C 0.673 177.089 176.600 -0.306 0.000 1.117 679 E CA -0.437 55.690 56.400 -0.456 0.000 0.913 679 E CB 0.537 29.852 29.700 -0.642 0.000 1.057 679 E HN 0.571 nan 8.360 nan 0.000 0.432 680 E N 0.809 120.859 120.200 -0.250 0.000 2.383 680 E HA 0.092 4.443 4.350 0.001 0.000 0.264 680 E C -0.059 176.392 176.600 -0.248 0.000 1.050 680 E CA 0.067 56.318 56.400 -0.248 0.000 0.896 680 E CB 0.721 30.273 29.700 -0.247 0.000 0.982 680 E HN 0.216 nan 8.360 nan 0.000 0.424 681 M N 2.082 121.539 119.600 -0.239 0.000 2.274 681 M HA 0.309 4.790 4.480 0.001 0.000 0.344 681 M C 0.004 176.211 176.300 -0.154 0.000 1.161 681 M CA 0.062 55.260 55.300 -0.171 0.000 1.126 681 M CB 1.166 33.667 32.600 -0.165 0.000 1.522 681 M HN 0.290 nan 8.290 nan 0.000 0.461 682 R N 0.472 120.916 120.500 -0.093 0.000 2.522 682 R HA 0.320 4.661 4.340 0.001 0.000 0.283 682 R C -0.863 175.432 176.300 -0.009 0.000 1.074 682 R CA -0.096 55.935 56.100 -0.115 0.000 0.925 682 R CB 1.308 31.428 30.300 -0.299 0.000 1.205 682 R HN 0.818 nan 8.270 nan 0.000 0.436 683 S N 0.731 116.447 115.700 0.028 0.000 3.812 683 S HA -0.123 4.347 4.470 0.001 0.000 0.341 683 S C -0.476 174.187 174.600 0.105 0.000 1.057 683 S CA 0.678 58.920 58.200 0.071 0.000 1.015 683 S CB -1.453 61.782 63.200 0.059 0.000 0.893 683 S HN 0.356 nan 8.310 nan 0.000 0.476 684 V N 1.399 121.399 119.914 0.143 0.000 2.417 684 V HA 0.651 4.772 4.120 0.001 0.000 0.291 684 V C 0.307 176.527 176.094 0.210 0.000 1.024 684 V CA -0.717 61.697 62.300 0.190 0.000 0.861 684 V CB 1.866 33.853 31.823 0.274 0.000 0.985 684 V HN 0.468 nan 8.190 nan 0.000 0.436 685 R N 4.372 124.965 120.500 0.155 0.000 2.338 685 R HA 0.697 5.037 4.340 0.001 0.000 0.317 685 R C -1.630 174.716 176.300 0.077 0.000 0.968 685 R CA -0.249 55.922 56.100 0.119 0.000 0.849 685 R CB 1.681 32.033 30.300 0.088 0.000 1.128 685 R HN 0.448 nan 8.270 nan 0.000 0.448 686 V N 5.231 125.156 119.914 0.018 0.000 2.407 686 V HA 0.379 4.499 4.120 0.001 0.000 0.291 686 V C -0.802 175.223 176.094 -0.114 0.000 1.018 686 V CA -0.873 61.412 62.300 -0.026 0.000 0.842 686 V CB 1.568 33.372 31.823 -0.031 0.000 0.996 686 V HN 0.878 nan 8.190 nan 0.000 0.426 687 N N 4.530 123.176 118.700 -0.091 0.000 2.437 687 N HA 0.539 5.280 4.740 0.001 0.000 0.259 687 N C -0.788 174.644 175.510 -0.129 0.000 0.983 687 N CA -0.591 52.382 53.050 -0.129 0.000 0.937 687 N CB 1.556 39.976 38.487 -0.112 0.000 1.122 687 N HN 0.486 nan 8.380 nan 0.000 0.499 688 I N 3.253 123.703 120.570 -0.200 0.000 2.347 688 I HA 0.031 4.201 4.170 0.001 0.000 0.294 688 I C 1.076 177.112 176.117 -0.135 0.000 1.090 688 I CA 0.270 61.462 61.300 -0.180 0.000 1.314 688 I CB 0.313 38.124 38.000 -0.314 0.000 1.423 688 I HN 0.603 nan 8.210 nan 0.000 0.503 689 L N 3.417 124.607 121.223 -0.055 0.000 2.127 689 L HA 0.140 4.480 4.340 0.001 0.000 0.203 689 L C 0.514 177.362 176.870 -0.036 0.000 1.080 689 L CA 0.873 55.685 54.840 -0.046 0.000 0.768 689 L CB -0.082 41.966 42.059 -0.020 0.000 0.924 689 L HN 0.561 nan 8.230 nan 0.000 0.444 690 D N -1.872 118.555 120.400 0.046 0.000 2.599 690 D HA 0.539 5.179 4.640 0.001 0.000 0.252 690 D C -1.492 174.931 176.300 0.206 0.000 1.232 690 D CA -0.216 53.826 54.000 0.069 0.000 0.819 690 D CB 2.901 43.647 40.800 -0.089 0.000 1.401 690 D HN -0.304 nan 8.370 nan 0.000 0.429 691 V N 0.739 120.751 119.914 0.162 0.000 2.891 691 V HA 0.612 4.733 4.120 0.001 0.000 0.304 691 V C -0.663 175.520 176.094 0.148 0.000 1.171 691 V CA -0.807 61.586 62.300 0.156 0.000 0.943 691 V CB 2.095 33.974 31.823 0.092 0.000 1.037 691 V HN 0.772 nan 8.190 nan 0.000 0.427 692 T N 2.673 117.317 114.554 0.149 0.000 2.840 692 T HA 0.834 5.185 4.350 0.001 0.000 0.287 692 T C -1.010 173.762 174.700 0.121 0.000 0.991 692 T CA -0.551 61.627 62.100 0.130 0.000 0.964 692 T CB 1.054 70.005 68.868 0.139 0.000 0.954 692 T HN 0.398 nan 8.240 nan 0.000 0.438 693 L N 2.623 123.931 121.223 0.142 0.000 2.346 693 L HA 0.510 4.850 4.340 0.001 0.000 0.274 693 L C 0.347 177.331 176.870 0.190 0.000 1.007 693 L CA -1.424 53.516 54.840 0.167 0.000 0.818 693 L CB 1.834 44.005 42.059 0.186 0.000 1.284 693 L HN 0.791 nan 8.230 nan 0.000 0.424 694 H N 0.909 120.035 119.070 0.092 0.000 2.897 694 H HA 0.051 4.607 4.556 0.001 0.000 0.347 694 H C 0.949 176.295 175.328 0.031 0.000 1.068 694 H CA 0.690 56.779 56.048 0.068 0.000 1.426 694 H CB 1.495 31.255 29.762 -0.004 0.000 1.410 694 H HN 0.778 nan 8.280 nan 0.000 0.597 695 A N 4.029 126.912 122.820 0.105 0.000 1.933 695 A HA -0.111 4.210 4.320 0.001 0.000 0.218 695 A C 0.510 178.110 177.584 0.028 0.000 1.175 695 A CA 1.382 53.513 52.037 0.157 0.000 0.628 695 A CB -0.059 19.014 19.000 0.122 0.000 0.814 695 A HN 0.802 nan 8.150 nan 0.000 0.444 696 D N -0.334 120.246 120.400 0.300 0.000 2.277 696 D HA 0.467 5.108 4.640 0.001 0.000 0.249 696 D C 1.147 177.347 176.300 -0.166 0.000 1.134 696 D CA 0.579 54.571 54.000 -0.013 0.000 0.863 696 D CB 1.547 42.321 40.800 -0.043 0.000 1.143 696 D HN 0.178 nan 8.370 nan 0.000 0.458 697 A N 4.178 126.873 122.820 -0.208 0.000 1.948 697 A HA -0.153 4.168 4.320 0.001 0.000 0.220 697 A C 1.409 178.889 177.584 -0.174 0.000 1.177 697 A CA 0.732 52.652 52.037 -0.195 0.000 0.636 697 A CB -0.486 18.410 19.000 -0.174 0.000 0.815 697 A HN 0.620 nan 8.150 nan 0.000 0.449 701 G N -0.506 108.257 108.800 -0.062 0.000 2.683 701 G HA2 0.313 4.273 3.960 0.001 0.000 0.260 701 G HA3 0.313 4.273 3.960 0.001 0.000 0.260 701 G C 1.146 176.030 174.900 -0.028 0.000 1.238 701 G CA 0.085 45.156 45.100 -0.049 0.000 0.934 701 G HN 0.150 nan 8.290 nan 0.000 0.534 702 G N -0.191 108.596 108.800 -0.022 0.000 2.446 702 G HA2 -0.060 3.901 3.960 0.001 0.000 0.217 702 G HA3 -0.060 3.901 3.960 0.001 0.000 0.217 702 G C 1.833 176.724 174.900 -0.014 0.000 1.168 702 G CA 1.473 46.567 45.100 -0.009 0.000 0.771 702 G HN 1.014 nan 8.290 nan 0.000 0.551 703 G N -0.526 108.259 108.800 -0.025 0.000 2.485 703 G HA2 -0.155 3.806 3.960 0.001 0.000 0.221 703 G HA3 -0.155 3.806 3.960 0.001 0.000 0.221 703 G C 1.853 176.737 174.900 -0.027 0.000 1.115 703 G CA 1.217 46.298 45.100 -0.031 0.000 0.751 703 G HN 0.397 nan 8.290 nan 0.000 0.567 704 Q N -0.472 119.315 119.800 -0.022 0.000 2.178 704 Q HA 0.139 4.480 4.340 0.001 0.000 0.195 704 Q C 2.708 178.706 176.000 -0.004 0.000 0.960 704 Q CA 0.415 56.211 55.803 -0.013 0.000 0.843 704 Q CB -0.241 28.489 28.738 -0.013 0.000 0.927 704 Q HN 0.466 nan 8.270 nan 0.000 0.487 705 I N 1.048 121.620 120.570 0.004 0.000 2.233 705 I HA -0.175 3.995 4.170 0.001 0.000 0.243 705 I C 2.299 178.427 176.117 0.018 0.000 1.093 705 I CA 0.744 62.054 61.300 0.018 0.000 1.380 705 I CB -0.533 37.487 38.000 0.035 0.000 1.067 705 I HN 0.089 nan 8.210 nan 0.000 0.413 706 I N 0.748 121.328 120.570 0.018 0.000 2.143 706 I HA -0.297 3.874 4.170 0.001 0.000 0.245 706 I C -0.350 175.762 176.117 -0.008 0.000 1.068 706 I CA 1.940 63.253 61.300 0.022 0.000 1.326 706 I CB -1.770 36.239 38.000 0.016 0.000 1.028 706 I HN 0.212 nan 8.210 nan 0.000 0.412 707 P HA -0.089 nan 4.420 nan 0.000 0.216 707 P C 1.629 178.906 177.300 -0.039 0.000 1.153 707 P CA 1.470 64.541 63.100 -0.048 0.000 0.844 707 P CB -0.112 31.562 31.700 -0.043 0.000 0.787 708 T N -0.085 114.456 114.554 -0.021 0.000 2.607 708 T HA -0.247 4.103 4.350 0.001 0.000 0.267 708 T C 1.774 176.463 174.700 -0.020 0.000 1.049 708 T CA 1.919 64.006 62.100 -0.022 0.000 1.162 708 T CB -0.939 67.917 68.868 -0.021 0.000 0.863 708 T HN 0.042 nan 8.240 nan 0.000 0.424 709 M N 1.290 120.890 119.600 0.001 0.000 2.082 709 M HA -0.075 4.406 4.480 0.001 0.000 0.258 709 M C 2.208 178.507 176.300 -0.001 0.000 1.069 709 M CA 1.565 56.880 55.300 0.024 0.000 1.102 709 M CB -0.468 32.175 32.600 0.071 0.000 1.336 709 M HN -0.027 nan 8.290 nan 0.000 0.404 710 R N -0.134 120.332 120.500 -0.057 0.000 2.091 710 R HA -0.143 4.198 4.340 0.001 0.000 0.238 710 R C 2.219 178.305 176.300 -0.356 0.000 1.136 710 R CA 1.910 57.880 56.100 -0.215 0.000 0.959 710 R CB -0.243 29.909 30.300 -0.247 0.000 0.856 710 R HN 0.497 nan 8.270 nan 0.000 0.437 711 R N -0.483 119.917 120.500 -0.167 0.000 2.090 711 R HA 0.000 4.341 4.340 0.001 0.000 0.228 711 R C 2.336 178.684 176.300 0.079 0.000 1.110 711 R CA 1.057 57.142 56.100 -0.025 0.000 0.973 711 R CB -0.324 30.055 30.300 0.132 0.000 0.869 711 R HN 0.184 nan 8.270 nan 0.000 0.440 712 A N 0.972 123.823 122.820 0.052 0.000 1.877 712 A HA -0.164 4.156 4.320 0.001 0.000 0.216 712 A C 2.222 179.892 177.584 0.144 0.000 1.186 712 A CA 2.025 54.118 52.037 0.092 0.000 0.620 712 A CB -0.995 18.020 19.000 0.025 0.000 0.822 712 A HN 0.251 nan 8.150 nan 0.000 0.443 713 T N -1.053 113.570 114.554 0.115 0.000 2.720 713 T HA -0.172 4.179 4.350 0.001 0.000 0.268 713 T C 1.795 176.673 174.700 0.298 0.000 1.037 713 T CA 1.724 63.943 62.100 0.198 0.000 1.144 713 T CB -0.426 68.568 68.868 0.211 0.000 0.864 713 T HN 0.476 nan 8.240 nan 0.000 0.444 714 Y N 1.441 121.725 120.300 -0.028 0.000 2.145 714 Y HA 0.040 4.591 4.550 0.001 0.000 0.286 714 Y C 2.770 178.710 175.900 0.067 0.000 1.145 714 Y CA 0.074 58.073 58.100 -0.167 0.000 1.148 714 Y CB -1.381 36.630 38.460 -0.749 0.000 0.981 714 Y HN 0.208 nan 8.280 nan 0.000 0.507 715 A N 0.007 123.037 122.820 0.349 0.000 1.865 715 A HA -0.157 4.163 4.320 0.001 0.000 0.217 715 A C 2.692 180.484 177.584 0.346 0.000 1.191 715 A CA 2.046 54.364 52.037 0.469 0.000 0.623 715 A CB -1.475 17.851 19.000 0.543 0.000 0.826 715 A HN 0.457 nan 8.150 nan 0.000 0.444 716 G N -1.220 107.742 108.800 0.271 0.000 2.459 716 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 716 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 716 G C 1.489 176.478 174.900 0.148 0.000 1.183 716 G CA 1.214 46.417 45.100 0.171 0.000 0.776 716 G HN 0.502 nan 8.290 nan 0.000 0.552 717 F N 0.731 120.735 119.950 0.091 0.000 2.065 717 F HA -0.135 4.392 4.527 0.001 0.000 0.298 717 F C 2.334 178.158 175.800 0.039 0.000 1.112 717 F CA 1.277 59.312 58.000 0.058 0.000 1.212 717 F CB -0.193 38.838 39.000 0.051 0.000 0.975 717 F HN 0.039 nan 8.300 nan 0.000 0.476 718 L N 0.175 121.568 121.223 0.282 0.000 2.265 718 L HA -0.145 4.196 4.340 0.001 0.000 0.215 718 L C 2.045 178.925 176.870 0.016 0.000 1.117 718 L CA 1.402 56.360 54.840 0.195 0.000 0.782 718 L CB -1.215 41.065 42.059 0.368 0.000 0.914 718 L HN 0.311 nan 8.230 nan 0.000 0.441 719 L N -1.408 119.776 121.223 -0.065 0.000 2.529 719 L HA 0.101 4.441 4.340 0.001 0.000 0.223 719 L C 1.738 178.483 176.870 -0.210 0.000 1.113 719 L CA 0.310 55.006 54.840 -0.240 0.000 0.861 719 L CB -0.214 41.638 42.059 -0.346 0.000 1.012 719 L HN 0.158 nan 8.230 nan 0.000 0.461 720 A N -0.376 122.322 122.820 -0.203 0.000 2.476 720 A HA 0.058 4.378 4.320 0.001 0.000 0.263 720 A C 0.041 177.486 177.584 -0.231 0.000 1.342 720 A CA -0.111 51.801 52.037 -0.208 0.000 0.926 720 A CB -0.463 18.414 19.000 -0.205 0.000 1.019 720 A HN 0.415 nan 8.150 nan 0.000 0.515 721 D N -0.756 119.523 120.400 -0.202 0.000 3.729 721 D HA -0.092 4.548 4.640 0.001 0.000 0.242 721 D C -2.813 173.361 176.300 -0.209 0.000 1.091 721 D CA 0.220 54.123 54.000 -0.162 0.000 1.096 721 D CB -0.666 40.061 40.800 -0.121 0.000 0.901 721 D HN 0.287 nan 8.370 nan 0.000 0.416 722 P HA 0.410 nan 4.420 nan 0.000 0.271 722 P C -0.486 176.772 177.300 -0.071 0.000 1.218 722 P CA 0.027 63.005 63.100 -0.203 0.000 0.780 722 P CB 0.672 32.337 31.700 -0.058 0.000 0.901 723 K N 0.903 121.295 120.400 -0.013 0.000 2.607 723 K HA 0.627 4.947 4.320 0.001 0.000 0.287 723 K C -1.121 175.538 176.600 0.098 0.000 0.996 723 K CA -0.691 55.613 56.287 0.028 0.000 0.876 723 K CB 1.559 34.063 32.500 0.007 0.000 1.496 723 K HN 0.488 nan 8.250 nan 0.000 0.415 724 I N -1.461 119.166 120.570 0.094 0.000 2.740 724 I HA 0.526 4.697 4.170 0.001 0.000 0.303 724 I C -1.244 174.979 176.117 0.176 0.000 1.044 724 I CA -0.568 60.827 61.300 0.158 0.000 1.064 724 I CB 2.172 40.267 38.000 0.158 0.000 1.249 724 I HN 0.475 nan 8.210 nan 0.000 0.433 725 Q N 3.987 123.931 119.800 0.239 0.000 2.306 725 Q HA 0.427 4.768 4.340 0.001 0.000 0.265 725 Q C -1.287 175.021 176.000 0.512 0.000 1.022 725 Q CA -0.790 55.188 55.803 0.291 0.000 0.853 725 Q CB 2.505 31.375 28.738 0.220 0.000 1.327 725 Q HN 0.738 nan 8.270 nan 0.000 0.449 726 E N 1.631 122.092 120.200 0.435 0.000 2.227 726 E HA 0.553 4.904 4.350 0.001 0.000 0.268 726 E C -2.653 174.014 176.600 0.111 0.000 0.907 726 E CA -2.339 54.260 56.400 0.332 0.000 0.786 726 E CB 1.815 31.680 29.700 0.274 0.000 1.191 726 E HN 0.181 nan 8.360 nan 0.000 0.411 727 P HA 0.095 nan 4.420 nan 0.000 0.278 727 P C -0.647 176.351 177.300 -0.504 0.000 1.238 727 P CA -0.400 62.374 63.100 -0.544 0.000 0.794 727 P CB 1.250 32.556 31.700 -0.657 0.000 0.955 728 V N 2.907 122.453 119.914 -0.614 0.000 2.789 728 V HA 0.394 4.515 4.120 0.001 0.000 0.311 728 V C -0.220 175.643 176.094 -0.385 0.000 1.073 728 V CA -0.531 61.469 62.300 -0.500 0.000 0.921 728 V CB 1.639 33.167 31.823 -0.492 0.000 1.009 728 V HN 0.333 nan 8.190 nan 0.000 0.426 729 F N 2.908 122.796 119.950 -0.103 0.000 2.397 729 F HA 0.564 5.092 4.527 0.001 0.000 0.331 729 F C 0.174 175.987 175.800 0.021 0.000 1.090 729 F CA -1.212 56.742 58.000 -0.077 0.000 1.065 729 F CB 1.469 40.409 39.000 -0.100 0.000 1.184 729 F HN 0.259 nan 8.300 nan 0.000 0.499 730 L N 4.632 125.991 121.223 0.227 0.000 2.283 730 L HA 0.506 4.846 4.340 0.001 0.000 0.281 730 L C -1.160 175.721 176.870 0.018 0.000 1.033 730 L CA -0.594 54.346 54.840 0.166 0.000 0.848 730 L CB 0.780 42.913 42.059 0.124 0.000 1.226 730 L HN 0.430 nan 8.230 nan 0.000 0.429 731 V N 5.928 125.826 119.914 -0.027 0.000 2.383 731 V HA 0.322 4.442 4.120 0.001 0.000 0.275 731 V C -0.107 175.938 176.094 -0.081 0.000 1.036 731 V CA -0.317 61.935 62.300 -0.079 0.000 0.889 731 V CB 1.715 33.480 31.823 -0.097 0.000 0.985 731 V HN 0.867 nan 8.190 nan 0.000 0.459 732 E N 6.479 126.626 120.200 -0.088 0.000 2.175 732 E HA 0.549 4.900 4.350 0.001 0.000 0.278 732 E C -1.195 175.361 176.600 -0.073 0.000 0.969 732 E CA -0.613 55.741 56.400 -0.076 0.000 0.796 732 E CB 1.345 31.004 29.700 -0.068 0.000 1.104 732 E HN 0.756 nan 8.360 nan 0.000 0.395 733 I N 3.720 124.264 120.570 -0.044 0.000 2.499 733 I HA 0.192 4.362 4.170 0.001 0.000 0.288 733 I C -0.773 175.364 176.117 0.033 0.000 1.048 733 I CA -0.979 60.305 61.300 -0.026 0.000 1.062 733 I CB 2.021 40.002 38.000 -0.031 0.000 1.238 733 I HN 0.427 nan 8.210 nan 0.000 0.426 734 Q N 4.509 124.369 119.800 0.100 0.000 2.278 734 Q HA 0.600 4.941 4.340 0.001 0.000 0.257 734 Q C -1.079 174.992 176.000 0.119 0.000 0.928 734 Q CA -0.024 55.865 55.803 0.144 0.000 0.932 734 Q CB 1.884 30.761 28.738 0.232 0.000 1.221 734 Q HN 0.684 nan 8.270 nan 0.000 0.434 735 C N 4.407 123.770 119.300 0.105 0.000 3.247 735 C HA 0.518 4.979 4.460 0.001 0.000 0.375 735 C C -2.781 172.245 174.990 0.059 0.000 1.102 735 C CA -1.677 57.386 59.018 0.075 0.000 1.227 735 C CB 1.605 29.374 27.740 0.050 0.000 1.586 735 C HN 0.625 nan 8.230 nan 0.000 0.544 736 P HA 0.129 nan 4.420 nan 0.000 0.267 736 P C 0.646 177.863 177.300 -0.139 0.000 1.205 736 P CA 0.696 63.763 63.100 -0.055 0.000 0.765 736 P CB 0.464 32.149 31.700 -0.024 0.000 0.828 737 E N 3.405 123.380 120.200 -0.374 0.000 2.236 737 E HA -0.378 3.973 4.350 0.001 0.000 0.205 737 E C 1.572 178.044 176.600 -0.213 0.000 1.028 737 E CA 1.635 57.668 56.400 -0.611 0.000 0.827 737 E CB 0.102 29.275 29.700 -0.878 0.000 0.735 737 E HN 0.537 nan 8.360 nan 0.000 0.470 738 Q N -0.542 119.175 119.800 -0.138 0.000 2.061 738 Q HA -0.164 4.177 4.340 0.001 0.000 0.204 738 Q C 1.957 177.951 176.000 -0.010 0.000 0.984 738 Q CA 1.679 57.448 55.803 -0.057 0.000 0.846 738 Q CB -0.332 28.378 28.738 -0.047 0.000 0.902 738 Q HN 0.274 nan 8.270 nan 0.000 0.421 739 A N 0.832 123.650 122.820 -0.004 0.000 2.275 739 A HA 0.229 4.549 4.320 0.001 0.000 0.212 739 A C 2.097 179.702 177.584 0.036 0.000 1.201 739 A CA -0.006 52.041 52.037 0.016 0.000 0.843 739 A CB 0.031 19.036 19.000 0.009 0.000 0.873 739 A HN 0.183 nan 8.150 nan 0.000 0.492 740 V N 0.070 120.025 119.914 0.068 0.000 2.828 740 V HA -0.222 3.898 4.120 0.001 0.000 0.260 740 V C 2.648 178.827 176.094 0.143 0.000 1.101 740 V CA 1.746 64.115 62.300 0.115 0.000 1.123 740 V CB -1.260 30.751 31.823 0.313 0.000 0.704 740 V HN 0.598 nan 8.190 nan 0.000 0.493 741 G N 0.688 109.582 108.800 0.156 0.000 2.433 741 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 741 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 741 G C 1.652 176.632 174.900 0.133 0.000 1.186 741 G CA 0.819 46.031 45.100 0.185 0.000 0.779 741 G HN 0.570 nan 8.290 nan 0.000 0.543 742 G N 0.816 109.653 108.800 0.061 0.000 2.485 742 G HA2 -0.184 3.776 3.960 0.001 0.000 0.221 742 G HA3 -0.184 3.776 3.960 0.001 0.000 0.221 742 G C 1.594 176.493 174.900 -0.001 0.000 1.115 742 G CA 0.914 46.030 45.100 0.027 0.000 0.751 742 G HN 0.327 nan 8.290 nan 0.000 0.567 743 I N 0.281 120.818 120.570 -0.055 0.000 2.060 743 I HA -0.145 4.026 4.170 0.001 0.000 0.233 743 I C 2.502 178.562 176.117 -0.096 0.000 1.054 743 I CA 1.036 62.245 61.300 -0.151 0.000 1.318 743 I CB -1.625 36.154 38.000 -0.368 0.000 1.054 743 I HN 0.192 nan 8.210 nan 0.000 0.395 744 Y N 1.145 121.485 120.300 0.066 0.000 2.283 744 Y HA -0.244 4.307 4.550 0.001 0.000 0.285 744 Y C 3.067 179.003 175.900 0.061 0.000 1.176 744 Y CA 1.665 59.801 58.100 0.061 0.000 1.229 744 Y CB -1.184 37.306 38.460 0.050 0.000 0.975 744 Y HN 0.204 nan 8.280 nan 0.000 0.537 745 S N -0.385 115.425 115.700 0.184 0.000 2.348 745 S HA -0.156 4.314 4.470 0.001 0.000 0.221 745 S C 2.156 176.820 174.600 0.106 0.000 1.033 745 S CA 1.647 59.922 58.200 0.125 0.000 1.010 745 S CB -0.685 62.568 63.200 0.088 0.000 0.891 745 S HN 0.201 nan 8.310 nan 0.000 0.442 746 V N 2.258 122.226 119.914 0.091 0.000 2.548 746 V HA -0.033 4.087 4.120 0.001 0.000 0.249 746 V C 2.359 178.554 176.094 0.169 0.000 1.055 746 V CA 1.309 63.675 62.300 0.110 0.000 1.065 746 V CB -0.683 31.183 31.823 0.071 0.000 0.681 746 V HN 0.470 nan 8.190 nan 0.000 0.462 747 L N 0.481 121.806 121.223 0.171 0.000 2.127 747 L HA -0.158 4.183 4.340 0.001 0.000 0.211 747 L C 2.083 179.039 176.870 0.143 0.000 1.089 747 L CA 1.283 56.225 54.840 0.171 0.000 0.757 747 L CB -0.629 41.518 42.059 0.146 0.000 0.899 747 L HN 0.437 nan 8.230 nan 0.000 0.434 748 N N 0.726 119.508 118.700 0.136 0.000 2.521 748 N HA -0.095 4.645 4.740 0.001 0.000 0.188 748 N C 1.262 176.828 175.510 0.094 0.000 1.146 748 N CA 0.675 53.791 53.050 0.111 0.000 0.893 748 N CB 0.096 38.646 38.487 0.105 0.000 0.975 748 N HN 0.519 nan 8.380 nan 0.000 0.451 749 K N -0.264 120.198 120.400 0.103 0.000 2.478 749 K HA 0.266 4.586 4.320 0.001 0.000 0.205 749 K C 0.253 176.914 176.600 0.101 0.000 1.033 749 K CA -0.121 56.220 56.287 0.091 0.000 1.091 749 K CB 0.546 33.097 32.500 0.086 0.000 0.844 749 K HN -0.289 nan 8.250 nan 0.000 0.507 750 K N 0.797 121.262 120.400 0.109 0.000 2.553 750 K HA 0.282 4.602 4.320 0.001 0.000 0.205 750 K C -0.599 176.048 176.600 0.079 0.000 1.168 750 K CA -0.230 56.120 56.287 0.105 0.000 1.043 750 K CB 0.687 33.271 32.500 0.140 0.000 0.967 750 K HN 0.219 nan 8.250 nan 0.000 0.585 751 R N -0.429 120.118 120.500 0.078 0.000 3.656 751 R HA -0.124 4.216 4.340 0.001 0.000 0.297 751 R C 0.272 176.619 176.300 0.078 0.000 1.166 751 R CA 0.559 56.701 56.100 0.070 0.000 0.799 751 R CB -2.264 28.070 30.300 0.056 0.000 1.285 751 R HN 0.321 nan 8.270 nan 0.000 0.477 752 G N 0.734 109.587 108.800 0.088 0.000 2.503 752 G HA2 0.249 4.210 3.960 0.001 0.000 0.257 752 G HA3 0.249 4.210 3.960 0.001 0.000 0.257 752 G C -0.398 174.567 174.900 0.109 0.000 1.214 752 G CA -0.272 44.883 45.100 0.092 0.000 0.839 752 G HN 0.185 nan 8.290 nan 0.000 0.559 753 Q N 1.391 121.264 119.800 0.122 0.000 2.320 753 Q HA 0.384 4.725 4.340 0.001 0.000 0.268 753 Q C -0.864 175.161 176.000 0.042 0.000 1.023 753 Q CA -0.665 55.211 55.803 0.121 0.000 0.744 753 Q CB 1.771 30.632 28.738 0.206 0.000 1.246 753 Q HN 0.347 nan 8.270 nan 0.000 0.462 754 V N 4.881 124.827 119.914 0.054 0.000 2.485 754 V HA -0.015 4.106 4.120 0.001 0.000 0.287 754 V C 1.012 177.066 176.094 -0.065 0.000 1.022 754 V CA 0.230 62.544 62.300 0.023 0.000 1.067 754 V CB 0.928 32.844 31.823 0.155 0.000 0.967 754 V HN 0.775 nan 8.190 nan 0.000 0.479 755 V N 3.304 123.104 119.914 -0.190 0.000 2.795 755 V HA 0.143 4.264 4.120 0.001 0.000 0.243 755 V C 0.737 176.752 176.094 -0.132 0.000 1.069 755 V CA 1.278 63.438 62.300 -0.234 0.000 1.089 755 V CB 0.451 31.981 31.823 -0.487 0.000 0.756 755 V HN 1.027 nan 8.190 nan 0.000 0.471 756 S N -0.693 114.941 115.700 -0.110 0.000 2.580 756 S HA 0.466 4.936 4.470 0.001 0.000 0.281 756 S C -1.355 173.205 174.600 -0.066 0.000 1.129 756 S CA -0.746 57.407 58.200 -0.079 0.000 0.862 756 S CB 2.300 65.448 63.200 -0.088 0.000 1.090 756 S HN 0.288 nan 8.310 nan 0.000 0.451 757 E N 1.167 121.323 120.200 -0.073 0.000 2.265 757 E HA 0.442 4.792 4.350 0.001 0.000 0.262 757 E C -1.159 175.316 176.600 -0.209 0.000 0.889 757 E CA -0.336 55.996 56.400 -0.113 0.000 0.789 757 E CB 1.515 31.186 29.700 -0.049 0.000 1.221 757 E HN 0.763 nan 8.360 nan 0.000 0.414 758 E N 2.425 122.501 120.200 -0.207 0.000 2.393 758 E HA 0.327 4.678 4.350 0.001 0.000 0.265 758 E C -0.929 175.559 176.600 -0.187 0.000 0.941 758 E CA -0.942 55.339 56.400 -0.198 0.000 0.801 758 E CB 2.500 32.148 29.700 -0.086 0.000 1.313 758 E HN 0.401 nan 8.360 nan 0.000 0.435 759 Q N 1.107 120.879 119.800 -0.046 0.000 2.394 759 Q HA 0.312 4.653 4.340 0.001 0.000 0.273 759 Q C -1.116 174.968 176.000 0.140 0.000 1.089 759 Q CA -0.813 55.116 55.803 0.211 0.000 0.812 759 Q CB 2.099 31.079 28.738 0.404 0.000 1.353 759 Q HN 0.404 nan 8.270 nan 0.000 0.438 760 R N 4.616 125.208 120.500 0.153 0.000 2.288 760 R HA 0.166 4.506 4.340 0.001 0.000 0.330 760 R C -1.920 174.426 176.300 0.077 0.000 1.069 760 R CA -1.173 54.980 56.100 0.087 0.000 0.941 760 R CB 0.377 30.722 30.300 0.076 0.000 0.998 760 R HN 0.535 nan 8.270 nan 0.000 0.452 761 P HA -0.329 nan 4.420 nan 0.000 0.225 761 P C 0.908 178.234 177.300 0.042 0.000 0.810 761 P CA 2.453 65.580 63.100 0.045 0.000 1.060 761 P CB -0.074 31.643 31.700 0.028 0.000 0.728 762 G N -1.924 106.894 108.800 0.029 0.000 2.524 762 G HA2 -0.149 3.811 3.960 0.001 0.000 0.215 762 G HA3 -0.149 3.811 3.960 0.001 0.000 0.215 762 G C 0.518 175.429 174.900 0.018 0.000 1.239 762 G CA 1.863 46.974 45.100 0.020 0.000 0.798 762 G HN 0.584 nan 8.290 nan 0.000 0.557 763 T N -0.567 113.998 114.554 0.017 0.000 2.734 763 T HA 0.323 4.674 4.350 0.001 0.000 0.314 763 T C -2.072 172.628 174.700 0.000 0.000 1.057 763 T CA -0.695 61.409 62.100 0.006 0.000 1.047 763 T CB 1.246 70.120 68.868 0.010 0.000 0.991 763 T HN 0.019 nan 8.240 nan 0.000 0.540 764 P HA 0.306 nan 4.420 nan 0.000 0.254 764 P C -0.418 176.769 177.300 -0.188 0.000 1.494 764 P CA -0.411 62.605 63.100 -0.141 0.000 0.961 764 P CB -0.112 31.495 31.700 -0.155 0.000 1.493 765 L N 0.686 121.892 121.223 -0.027 0.000 2.312 765 L HA 0.317 4.658 4.340 0.001 0.000 0.287 765 L C -0.334 176.672 176.870 0.227 0.000 1.091 765 L CA -0.292 54.578 54.840 0.051 0.000 0.846 765 L CB -1.100 40.998 42.059 0.064 0.000 1.219 765 L HN -0.086 nan 8.230 nan 0.000 0.439 766 F N 2.463 122.430 119.950 0.028 0.000 2.378 766 F HA 0.319 4.846 4.527 0.001 0.000 0.319 766 F C 0.919 176.729 175.800 0.018 0.000 1.155 766 F CA -0.674 57.342 58.000 0.027 0.000 1.157 766 F CB 1.609 40.632 39.000 0.037 0.000 1.252 766 F HN 0.361 nan 8.300 nan 0.000 0.550 767 T N 1.992 116.641 114.554 0.158 0.000 3.103 767 T HA 0.398 4.749 4.350 0.001 0.000 0.352 767 T C -1.139 173.557 174.700 -0.006 0.000 1.048 767 T CA -0.524 61.616 62.100 0.066 0.000 1.175 767 T CB -0.016 68.881 68.868 0.048 0.000 1.029 767 T HN 0.251 nan 8.240 nan 0.000 0.498 768 V N 5.634 125.534 119.914 -0.023 0.000 2.546 768 V HA 0.498 4.619 4.120 0.001 0.000 0.284 768 V C 0.312 176.356 176.094 -0.083 0.000 1.050 768 V CA -0.447 61.808 62.300 -0.075 0.000 0.981 768 V CB 1.279 33.004 31.823 -0.164 0.000 0.990 768 V HN 0.719 nan 8.190 nan 0.000 0.474 769 K N 3.295 123.636 120.400 -0.098 0.000 2.323 769 K HA 0.839 5.159 4.320 0.001 0.000 0.259 769 K C -0.505 175.981 176.600 -0.190 0.000 0.947 769 K CA -0.329 55.876 56.287 -0.136 0.000 0.819 769 K CB 2.222 34.635 32.500 -0.146 0.000 1.109 769 K HN 0.851 nan 8.250 nan 0.000 0.429 770 A N 2.191 124.884 122.820 -0.212 0.000 2.583 770 A HA 0.641 4.961 4.320 0.001 0.000 0.289 770 A C -1.956 175.479 177.584 -0.248 0.000 1.151 770 A CA -0.703 51.185 52.037 -0.248 0.000 0.695 770 A CB 0.788 19.737 19.000 -0.085 0.000 1.290 770 A HN 0.528 nan 8.150 nan 0.000 0.419 771 Y N -0.250 120.049 120.300 -0.002 0.000 2.328 771 Y HA 0.608 5.159 4.550 0.001 0.000 0.337 771 Y C -0.297 175.600 175.900 -0.005 0.000 1.008 771 Y CA -0.921 57.187 58.100 0.013 0.000 1.129 771 Y CB 1.679 40.180 38.460 0.067 0.000 1.185 771 Y HN 0.515 nan 8.280 nan 0.000 0.476 772 L N 7.117 128.426 121.223 0.144 0.000 2.343 772 L HA 0.651 4.991 4.340 0.001 0.000 0.278 772 L C -2.842 174.022 176.870 -0.011 0.000 0.996 772 L CA -2.625 52.223 54.840 0.013 0.000 0.831 772 L CB 1.727 43.688 42.059 -0.163 0.000 1.232 772 L HN 0.292 nan 8.230 nan 0.000 0.413 773 P HA 0.034 nan 4.420 nan 0.000 0.261 773 P C 1.024 178.235 177.300 -0.149 0.000 1.203 773 P CA -0.000 63.033 63.100 -0.111 0.000 0.767 773 P CB 0.761 32.438 31.700 -0.038 0.000 0.785 774 V N 3.831 123.501 119.914 -0.407 0.000 2.317 774 V HA -0.294 3.827 4.120 0.001 0.000 0.251 774 V C 2.058 178.164 176.094 0.019 0.000 1.065 774 V CA 2.367 64.379 62.300 -0.480 0.000 1.049 774 V CB -1.074 30.256 31.823 -0.821 0.000 0.651 774 V HN 0.723 nan 8.190 nan 0.000 0.450 775 N N -0.040 118.649 118.700 -0.019 0.000 2.575 775 N HA -0.140 4.600 4.740 0.001 0.000 0.192 775 N C 1.125 176.667 175.510 0.053 0.000 1.200 775 N CA 0.895 53.973 53.050 0.046 0.000 0.897 775 N CB 0.032 38.513 38.487 -0.009 0.000 0.990 775 N HN 0.563 nan 8.380 nan 0.000 0.449 776 E N -0.287 119.985 120.200 0.120 0.000 2.641 776 E HA 0.055 4.406 4.350 0.001 0.000 0.224 776 E C 0.387 177.112 176.600 0.209 0.000 0.951 776 E CA 0.090 56.565 56.400 0.125 0.000 1.102 776 E CB 0.611 30.352 29.700 0.068 0.000 1.091 776 E HN 0.468 nan 8.360 nan 0.000 0.507 777 S N -0.352 115.532 115.700 0.307 0.000 2.577 777 S HA 0.200 4.670 4.470 0.001 0.000 0.219 777 S C 0.496 175.302 174.600 0.343 0.000 0.962 777 S CA -0.549 57.806 58.200 0.259 0.000 0.921 777 S CB -0.647 62.692 63.200 0.233 0.000 0.789 777 S HN 0.019 nan 8.310 nan 0.000 0.497 778 F N 2.749 122.776 119.950 0.129 0.000 2.533 778 F HA 0.446 4.974 4.527 0.001 0.000 0.378 778 F C 1.717 177.591 175.800 0.123 0.000 1.070 778 F CA 0.620 58.687 58.000 0.113 0.000 1.172 778 F CB 0.227 39.275 39.000 0.080 0.000 1.085 778 F HN 0.367 nan 8.300 nan 0.000 0.552 779 G N 3.379 112.290 108.800 0.184 0.000 2.153 779 G HA2 -0.394 3.567 3.960 0.001 0.000 0.252 779 G HA3 -0.394 3.567 3.960 0.001 0.000 0.252 779 G C 0.725 175.720 174.900 0.159 0.000 0.994 779 G CA 0.316 45.500 45.100 0.139 0.000 0.698 779 G HN 0.680 nan 8.290 nan 0.000 0.521 780 F N 1.664 121.639 119.950 0.040 0.000 2.043 780 F HA -0.109 4.418 4.527 0.001 0.000 0.297 780 F C 2.610 178.407 175.800 -0.006 0.000 1.121 780 F CA 2.919 60.936 58.000 0.028 0.000 1.199 780 F CB -0.735 38.280 39.000 0.025 0.000 0.968 780 F HN 0.160 nan 8.300 nan 0.000 0.478 781 T N 0.144 114.644 114.554 -0.089 0.000 2.720 781 T HA -0.162 4.189 4.350 0.001 0.000 0.268 781 T C 2.154 176.740 174.700 -0.190 0.000 1.037 781 T CA 1.539 63.502 62.100 -0.228 0.000 1.144 781 T CB -1.333 67.481 68.868 -0.090 0.000 0.864 781 T HN 0.497 nan 8.240 nan 0.000 0.444 782 G N 1.241 109.987 108.800 -0.090 0.000 2.440 782 G HA2 -0.230 3.731 3.960 0.001 0.000 0.218 782 G HA3 -0.230 3.731 3.960 0.001 0.000 0.218 782 G C 1.470 176.322 174.900 -0.081 0.000 1.154 782 G CA 0.799 45.864 45.100 -0.059 0.000 0.767 782 G HN 0.535 nan 8.290 nan 0.000 0.552 783 E N -0.453 119.687 120.200 -0.101 0.000 2.158 783 E HA 0.000 4.351 4.350 0.001 0.000 0.191 783 E C 2.336 178.831 176.600 -0.174 0.000 0.982 783 E CA 0.283 56.624 56.400 -0.098 0.000 0.823 783 E CB -0.100 29.575 29.700 -0.043 0.000 0.766 783 E HN 0.336 nan 8.360 nan 0.000 0.468 784 L N 1.459 122.476 121.223 -0.343 0.000 2.201 784 L HA -0.104 4.236 4.340 0.001 0.000 0.212 784 L C 2.005 178.752 176.870 -0.205 0.000 1.105 784 L CA 1.414 56.034 54.840 -0.368 0.000 0.775 784 L CB -0.138 41.530 42.059 -0.652 0.000 0.913 784 L HN -0.068 nan 8.230 nan 0.000 0.440 785 R N -1.036 119.366 120.500 -0.164 0.000 2.075 785 R HA -0.184 4.157 4.340 0.001 0.000 0.230 785 R C 2.173 178.435 176.300 -0.063 0.000 1.140 785 R CA 1.704 57.748 56.100 -0.094 0.000 0.928 785 R CB -0.534 29.725 30.300 -0.069 0.000 0.834 785 R HN 0.335 nan 8.270 nan 0.000 0.429 786 Q N 0.569 120.337 119.800 -0.053 0.000 2.045 786 Q HA -0.174 4.167 4.340 0.001 0.000 0.206 786 Q C 2.127 178.111 176.000 -0.028 0.000 0.991 786 Q CA 2.088 57.873 55.803 -0.030 0.000 0.851 786 Q CB -0.935 27.791 28.738 -0.020 0.000 0.911 786 Q HN 0.397 nan 8.270 nan 0.000 0.418 787 A N 0.659 123.455 122.820 -0.041 0.000 1.863 787 A HA -0.220 4.101 4.320 0.001 0.000 0.218 787 A C 2.015 179.586 177.584 -0.021 0.000 1.233 787 A CA 2.894 54.913 52.037 -0.030 0.000 0.655 787 A CB -1.421 17.551 19.000 -0.046 0.000 0.839 787 A HN 0.552 nan 8.150 nan 0.000 0.454 788 T N -3.164 111.368 114.554 -0.036 0.000 3.393 788 T HA 0.429 4.779 4.350 0.001 0.000 0.248 788 T C 1.106 175.799 174.700 -0.011 0.000 0.992 788 T CA 0.871 62.959 62.100 -0.021 0.000 0.929 788 T CB -0.661 68.189 68.868 -0.031 0.000 1.065 788 T HN 1.881 nan 8.240 nan 0.000 0.597 789 G N 0.827 109.622 108.800 -0.008 0.000 2.269 789 G HA2 -0.042 3.919 3.960 0.001 0.000 0.277 789 G HA3 -0.042 3.919 3.960 0.001 0.000 0.277 789 G C 1.131 176.033 174.900 0.003 0.000 1.008 789 G CA 0.328 45.428 45.100 0.001 0.000 0.774 789 G HN 1.879 nan 8.290 nan 0.000 0.511 790 G N -1.589 107.205 108.800 -0.010 0.000 2.168 790 G HA2 -0.344 3.617 3.960 0.001 0.000 0.263 790 G HA3 -0.344 3.617 3.960 0.001 0.000 0.263 790 G C 0.920 175.822 174.900 0.003 0.000 0.977 790 G CA 1.333 46.428 45.100 -0.008 0.000 0.659 790 G HN 0.943 nan 8.290 nan 0.000 0.533 791 Q N -0.292 119.514 119.800 0.012 0.000 2.398 791 Q HA 0.492 4.833 4.340 0.001 0.000 0.204 791 Q C 1.600 177.618 176.000 0.030 0.000 0.932 791 Q CA 0.579 56.398 55.803 0.027 0.000 0.916 791 Q CB 0.400 29.162 28.738 0.040 0.000 1.024 791 Q HN 0.826 nan 8.270 nan 0.000 0.504 792 A N 1.056 123.887 122.820 0.018 0.000 2.401 792 A HA 0.301 4.622 4.320 0.001 0.000 0.259 792 A C -0.906 176.726 177.584 0.079 0.000 1.103 792 A CA -0.176 51.878 52.037 0.028 0.000 0.789 792 A CB 0.061 19.042 19.000 -0.032 0.000 1.035 792 A HN 0.295 nan 8.150 nan 0.000 0.491 793 F N 4.989 124.902 119.950 -0.061 0.000 2.359 793 F HA 0.504 5.031 4.527 0.001 0.000 0.370 793 F C -2.558 173.216 175.800 -0.042 0.000 1.077 793 F CA -2.974 54.988 58.000 -0.063 0.000 1.136 793 F CB 1.206 40.165 39.000 -0.068 0.000 1.387 793 F HN 0.285 nan 8.300 nan 0.000 0.468 794 P HA 0.180 nan 4.420 nan 0.000 0.269 794 P C -1.495 175.472 177.300 -0.554 0.000 1.215 794 P CA -0.059 62.831 63.100 -0.349 0.000 0.780 794 P CB 0.737 32.332 31.700 -0.174 0.000 0.898 795 Q N 1.908 121.514 119.800 -0.324 0.000 2.364 795 Q HA 0.531 4.871 4.340 0.001 0.000 0.251 795 Q C -1.712 174.164 176.000 -0.208 0.000 0.927 795 Q CA -0.516 55.103 55.803 -0.307 0.000 0.924 795 Q CB 1.018 29.583 28.738 -0.289 0.000 1.419 795 Q HN 0.486 nan 8.270 nan 0.000 0.427 796 M N 1.547 121.002 119.600 -0.243 0.000 2.470 796 M HA 0.837 5.317 4.480 0.001 0.000 0.285 796 M C -1.850 174.265 176.300 -0.308 0.000 1.213 796 M CA -1.025 54.115 55.300 -0.268 0.000 0.901 796 M CB 2.353 34.730 32.600 -0.373 0.000 1.718 796 M HN 0.310 nan 8.290 nan 0.000 0.469 797 V N 2.001 121.807 119.914 -0.179 0.000 3.114 797 V HA 0.632 4.753 4.120 0.001 0.000 0.308 797 V C -1.551 174.674 176.094 0.219 0.000 1.168 797 V CA -0.693 61.578 62.300 -0.049 0.000 1.015 797 V CB 2.651 34.460 31.823 -0.024 0.000 1.050 797 V HN 0.830 nan 8.190 nan 0.000 0.433 798 F N 3.484 123.559 119.950 0.210 0.000 2.538 798 F HA 0.309 4.837 4.527 0.001 0.000 0.371 798 F C 0.692 176.546 175.800 0.090 0.000 1.087 798 F CA 0.858 58.996 58.000 0.231 0.000 1.250 798 F CB 1.156 40.199 39.000 0.072 0.000 1.110 798 F HN 0.781 nan 8.300 nan 0.000 0.570 799 D N 2.495 122.368 120.400 -0.878 0.000 2.995 799 D HA 0.132 4.773 4.640 0.001 0.000 0.289 799 D C -0.353 175.442 176.300 -0.842 0.000 1.116 799 D CA 1.141 54.768 54.000 -0.623 0.000 0.994 799 D CB 0.246 40.920 40.800 -0.211 0.000 1.209 799 D HN 0.780 nan 8.370 nan 0.000 0.458 800 H N -4.200 114.131 119.070 -1.232 0.000 2.905 800 H HA 0.506 5.062 4.556 0.001 0.000 0.280 800 H C -1.492 173.436 175.328 -0.667 0.000 1.445 800 H CA -1.416 54.171 56.048 -0.769 0.000 1.165 800 H CB 0.483 30.002 29.762 -0.404 0.000 1.857 800 H HN -0.035 nan 8.280 nan 0.000 0.567 801 W N 0.835 122.019 121.300 -0.193 0.000 2.529 801 W HA 0.555 5.216 4.660 0.001 0.000 0.321 801 W C -0.296 176.046 176.519 -0.295 0.000 1.047 801 W CA -0.890 56.351 57.345 -0.173 0.000 1.216 801 W CB 2.305 31.783 29.460 0.029 0.000 1.357 801 W HN 0.517 nan 8.180 nan 0.000 0.489 802 S N 1.989 117.641 115.700 -0.080 0.000 2.456 802 S HA 0.419 4.889 4.470 0.001 0.000 0.316 802 S C -0.309 174.333 174.600 0.070 0.000 1.089 802 S CA -0.490 57.660 58.200 -0.084 0.000 1.101 802 S CB 0.484 63.564 63.200 -0.200 0.000 0.995 802 S HN 0.327 nan 8.310 nan 0.000 0.468 803 T N 6.829 121.428 114.554 0.076 0.000 2.738 803 T HA 0.260 4.610 4.350 0.001 0.000 0.293 803 T C 0.322 175.060 174.700 0.064 0.000 0.913 803 T CA -0.222 61.928 62.100 0.085 0.000 1.103 803 T CB -0.203 68.706 68.868 0.068 0.000 0.880 803 T HN 0.537 nan 8.240 nan 0.000 0.526 804 L N 2.754 124.020 121.223 0.073 0.000 2.461 804 L HA 0.255 4.595 4.340 0.001 0.000 0.272 804 L C 1.840 178.727 176.870 0.029 0.000 1.197 804 L CA -0.350 54.519 54.840 0.048 0.000 0.836 804 L CB 0.137 42.223 42.059 0.044 0.000 1.105 804 L HN 0.773 nan 8.230 nan 0.000 0.477 805 G N 1.520 110.332 108.800 0.020 0.000 2.395 805 G HA2 -0.135 3.826 3.960 0.001 0.000 0.214 805 G HA3 -0.135 3.826 3.960 0.001 0.000 0.214 805 G C 0.867 175.767 174.900 -0.000 0.000 1.177 805 G CA 0.448 45.554 45.100 0.011 0.000 0.794 805 G HN 0.717 nan 8.290 nan 0.000 0.532 806 S N 0.545 116.242 115.700 -0.005 0.000 2.553 806 S HA 0.058 4.529 4.470 0.001 0.000 0.271 806 S C -0.147 174.439 174.600 -0.023 0.000 1.362 806 S CA -0.023 58.168 58.200 -0.016 0.000 1.010 806 S CB 0.951 64.137 63.200 -0.024 0.000 0.865 806 S HN 0.251 nan 8.310 nan 0.000 0.543 807 D N 1.706 122.089 120.400 -0.027 0.000 2.339 807 D HA 0.271 4.912 4.640 0.001 0.000 0.241 807 D C -1.002 175.271 176.300 -0.045 0.000 1.183 807 D CA -2.483 51.500 54.000 -0.029 0.000 0.859 807 D CB 1.054 41.842 40.800 -0.021 0.000 1.067 807 D HN 0.255 nan 8.370 nan 0.000 0.484 808 P HA -0.139 nan 4.420 nan 0.000 0.223 808 P C 1.362 178.617 177.300 -0.074 0.000 1.144 808 P CA 0.777 63.822 63.100 -0.092 0.000 0.783 808 P CB 0.317 31.974 31.700 -0.070 0.000 0.771 809 L N -0.700 120.505 121.223 -0.031 0.000 2.341 809 L HA 0.068 4.409 4.340 0.001 0.000 0.214 809 L C 1.111 177.968 176.870 -0.021 0.000 1.115 809 L CA 0.459 55.292 54.840 -0.012 0.000 0.820 809 L CB -0.805 41.265 42.059 0.017 0.000 0.944 809 L HN -0.030 nan 8.230 nan 0.000 0.452 810 D N 0.645 121.027 120.400 -0.031 0.000 2.380 810 D HA 0.146 4.787 4.640 0.001 0.000 0.230 810 D C -1.689 174.585 176.300 -0.044 0.000 1.154 810 D CA -2.247 51.735 54.000 -0.030 0.000 0.859 810 D CB 1.510 42.296 40.800 -0.024 0.000 1.045 810 D HN -0.194 nan 8.370 nan 0.000 0.495 811 P HA -0.221 nan 4.420 nan 0.000 0.217 811 P C 1.190 178.461 177.300 -0.047 0.000 1.158 811 P CA 2.115 65.186 63.100 -0.048 0.000 0.887 811 P CB -0.002 31.677 31.700 -0.034 0.000 0.792 812 T N -3.948 110.585 114.554 -0.035 0.000 3.035 812 T HA -0.012 4.338 4.350 0.001 0.000 0.268 812 T C 1.104 175.784 174.700 -0.034 0.000 1.109 812 T CA 0.442 62.523 62.100 -0.031 0.000 1.119 812 T CB -0.974 67.881 68.868 -0.021 0.000 0.900 812 T HN 0.226 nan 8.240 nan 0.000 0.503 813 S N 1.074 116.751 115.700 -0.039 0.000 2.598 813 S HA 0.182 4.653 4.470 0.001 0.000 0.256 813 S C 1.371 175.941 174.600 -0.051 0.000 1.350 813 S CA -0.739 57.437 58.200 -0.039 0.000 0.984 813 S CB 0.719 63.894 63.200 -0.042 0.000 0.930 813 S HN 0.129 nan 8.310 nan 0.000 0.577 814 K N 0.987 121.360 120.400 -0.044 0.000 2.025 814 K HA 0.023 4.344 4.320 0.001 0.000 0.207 814 K C 2.466 179.015 176.600 -0.084 0.000 1.049 814 K CA 1.561 57.820 56.287 -0.048 0.000 0.933 814 K CB -1.395 31.090 32.500 -0.025 0.000 0.714 814 K HN 0.741 nan 8.250 nan 0.000 0.438 815 A N 1.093 123.856 122.820 -0.095 0.000 1.872 815 A HA -0.019 4.301 4.320 0.001 0.000 0.214 815 A C 2.495 179.948 177.584 -0.218 0.000 1.187 815 A CA 1.855 53.796 52.037 -0.159 0.000 0.614 815 A CB -1.152 17.774 19.000 -0.122 0.000 0.826 815 A HN 0.363 nan 8.150 nan 0.000 0.442 816 G N -0.423 108.284 108.800 -0.156 0.000 2.485 816 G HA2 -0.286 3.675 3.960 0.001 0.000 0.221 816 G HA3 -0.286 3.675 3.960 0.001 0.000 0.221 816 G C 1.423 176.223 174.900 -0.167 0.000 1.115 816 G CA 1.251 46.257 45.100 -0.157 0.000 0.751 816 G HN 0.691 nan 8.290 nan 0.000 0.567 817 E N -0.066 120.049 120.200 -0.142 0.000 2.047 817 E HA -0.096 4.255 4.350 0.001 0.000 0.191 817 E C 2.490 178.991 176.600 -0.166 0.000 0.987 817 E CA 0.609 56.937 56.400 -0.121 0.000 0.799 817 E CB -0.086 29.563 29.700 -0.084 0.000 0.752 817 E HN 0.333 nan 8.360 nan 0.000 0.449 818 I N 0.944 121.373 120.570 -0.235 0.000 2.127 818 I HA -0.247 3.923 4.170 0.001 0.000 0.241 818 I C 2.498 178.357 176.117 -0.431 0.000 1.075 818 I CA 0.942 62.050 61.300 -0.320 0.000 1.334 818 I CB -1.181 36.510 38.000 -0.515 0.000 1.040 818 I HN 0.129 nan 8.210 nan 0.000 0.405 819 V N 1.072 120.612 119.914 -0.624 0.000 2.287 819 V HA -0.283 3.837 4.120 0.001 0.000 0.248 819 V C 2.596 178.507 176.094 -0.305 0.000 1.053 819 V CA 1.801 63.646 62.300 -0.759 0.000 1.027 819 V CB -0.818 30.620 31.823 -0.642 0.000 0.646 819 V HN 0.341 nan 8.190 nan 0.000 0.447 820 L N 0.886 121.992 121.223 -0.194 0.000 1.994 820 L HA -0.103 4.238 4.340 0.001 0.000 0.208 820 L C 2.479 179.319 176.870 -0.050 0.000 1.071 820 L CA 2.485 57.271 54.840 -0.089 0.000 0.745 820 L CB -1.073 40.942 42.059 -0.073 0.000 0.892 820 L HN 0.213 nan 8.230 nan 0.000 0.431 821 A N -0.329 122.454 122.820 -0.063 0.000 1.883 821 A HA -0.175 4.145 4.320 0.001 0.000 0.217 821 A C 2.470 180.058 177.584 0.006 0.000 1.186 821 A CA 2.338 54.358 52.037 -0.028 0.000 0.624 821 A CB -1.392 17.587 19.000 -0.036 0.000 0.822 821 A HN 0.637 nan 8.150 nan 0.000 0.444 822 A N -0.500 122.336 122.820 0.027 0.000 1.865 822 A HA -0.200 4.120 4.320 0.001 0.000 0.217 822 A C 2.257 179.952 177.584 0.186 0.000 1.191 822 A CA 1.699 53.828 52.037 0.152 0.000 0.623 822 A CB -0.565 18.677 19.000 0.403 0.000 0.826 822 A HN 0.541 nan 8.150 nan 0.000 0.444 823 R N -0.607 119.993 120.500 0.166 0.000 2.096 823 R HA -0.175 4.166 4.340 0.001 0.000 0.240 823 R C 2.382 178.757 176.300 0.125 0.000 1.139 823 R CA 1.956 58.158 56.100 0.170 0.000 0.952 823 R CB -0.294 30.065 30.300 0.098 0.000 0.854 823 R HN 0.537 nan 8.270 nan 0.000 0.436 824 K N 0.134 120.575 120.400 0.067 0.000 2.026 824 K HA -0.185 4.135 4.320 0.001 0.000 0.208 824 K C 2.194 178.820 176.600 0.042 0.000 1.048 824 K CA 1.350 57.664 56.287 0.045 0.000 0.929 824 K CB -0.105 32.406 32.500 0.019 0.000 0.713 824 K HN 0.031 nan 8.250 nan 0.000 0.439 825 R N 0.036 120.546 120.500 0.017 0.000 2.096 825 R HA -0.182 4.159 4.340 0.001 0.000 0.240 825 R C 1.825 178.105 176.300 -0.033 0.000 1.139 825 R CA 1.668 57.747 56.100 -0.035 0.000 0.952 825 R CB -0.174 30.072 30.300 -0.091 0.000 0.854 825 R HN 0.333 nan 8.270 nan 0.000 0.436 826 H N -0.839 118.267 119.070 0.060 0.000 2.556 826 H HA 0.096 4.653 4.556 0.001 0.000 0.268 826 H C 0.779 176.133 175.328 0.042 0.000 0.996 826 H CA 0.969 57.049 56.048 0.053 0.000 1.157 826 H CB 0.183 29.984 29.762 0.066 0.000 1.355 826 H HN 0.590 nan 8.280 nan 0.000 0.597 827 G N 1.333 110.215 108.800 0.137 0.000 2.273 827 G HA2 -0.305 3.655 3.960 0.001 0.000 0.280 827 G HA3 -0.305 3.655 3.960 0.001 0.000 0.280 827 G C 0.304 175.257 174.900 0.088 0.000 1.047 827 G CA 0.605 45.760 45.100 0.091 0.000 0.869 827 G HN 0.290 nan 8.290 nan 0.000 0.502 828 M N -1.197 118.466 119.600 0.105 0.000 2.513 828 M HA 0.484 4.964 4.480 0.001 0.000 0.291 828 M C 0.752 177.089 176.300 0.062 0.000 1.190 828 M CA -0.860 54.489 55.300 0.082 0.000 0.960 828 M CB 0.827 33.487 32.600 0.100 0.000 1.517 828 M HN 0.058 nan 8.290 nan 0.000 0.499 829 K N 1.147 121.577 120.400 0.050 0.000 2.447 829 K HA -0.024 4.296 4.320 0.001 0.000 0.281 829 K C 0.588 177.211 176.600 0.038 0.000 1.031 829 K CA 0.247 56.555 56.287 0.035 0.000 1.019 829 K CB 0.530 33.045 32.500 0.026 0.000 0.918 829 K HN 0.573 nan 8.250 nan 0.000 0.476 830 E N 2.330 122.546 120.200 0.027 0.000 2.219 830 E HA -0.203 4.147 4.350 0.001 0.000 0.198 830 E C -0.309 176.299 176.600 0.014 0.000 0.998 830 E CA 1.290 57.702 56.400 0.020 0.000 0.818 830 E CB 0.081 29.787 29.700 0.010 0.000 0.741 830 E HN 0.565 nan 8.360 nan 0.000 0.477 831 E N 0.184 120.393 120.200 0.015 0.000 2.283 831 E HA 0.224 4.575 4.350 0.001 0.000 0.271 831 E C -0.738 175.880 176.600 0.030 0.000 1.031 831 E CA -0.455 55.953 56.400 0.013 0.000 0.868 831 E CB 1.703 31.407 29.700 0.007 0.000 1.094 831 E HN -0.189 nan 8.360 nan 0.000 0.401 832 V N 3.497 123.432 119.914 0.036 0.000 2.530 832 V HA 0.215 4.336 4.120 0.001 0.000 0.282 832 V C -2.004 174.139 176.094 0.082 0.000 1.048 832 V CA -1.624 60.715 62.300 0.066 0.000 0.997 832 V CB 0.517 32.380 31.823 0.067 0.000 0.987 832 V HN 0.615 nan 8.190 nan 0.000 0.477 833 P HA 0.189 nan 4.420 nan 0.000 0.265 833 P C 0.412 177.810 177.300 0.163 0.000 1.193 833 P CA 0.346 63.514 63.100 0.113 0.000 0.765 833 P CB 0.474 32.283 31.700 0.183 0.000 0.823 834 G N 2.576 111.418 108.800 0.071 0.000 2.599 834 G HA2 0.071 4.031 3.960 0.001 0.000 0.264 834 G HA3 0.071 4.031 3.960 0.001 0.000 0.264 834 G C 0.848 175.847 174.900 0.165 0.000 1.200 834 G CA -0.638 44.518 45.100 0.094 0.000 0.896 834 G HN 0.710 nan 8.290 nan 0.000 0.536 835 W N -0.339 121.055 121.300 0.157 0.000 2.392 835 W HA -0.107 4.553 4.660 0.001 0.000 0.279 835 W C 1.463 178.107 176.519 0.209 0.000 1.225 835 W CA 0.871 58.357 57.345 0.234 0.000 1.233 835 W CB -0.755 28.797 29.460 0.153 0.000 1.122 835 W HN 0.487 nan 8.180 nan 0.000 0.561 836 Q N 1.333 120.653 119.800 -0.800 0.000 2.248 836 Q HA -0.216 4.124 4.340 0.001 0.000 0.208 836 Q C 1.917 177.768 176.000 -0.249 0.000 0.984 836 Q CA 2.440 57.830 55.803 -0.689 0.000 0.875 836 Q CB -0.578 27.708 28.738 -0.755 0.000 0.910 836 Q HN 0.373 nan 8.270 nan 0.000 0.433 837 E N -1.316 118.737 120.200 -0.245 0.000 2.150 837 E HA -0.146 4.205 4.350 0.001 0.000 0.193 837 E C 0.746 177.108 176.600 -0.398 0.000 0.985 837 E CA 1.000 57.171 56.400 -0.381 0.000 0.814 837 E CB 0.086 29.417 29.700 -0.615 0.000 0.752 837 E HN 0.541 nan 8.360 nan 0.000 0.466 838 Y N -2.422 117.961 120.300 0.139 0.000 2.481 838 Y HA 0.147 4.697 4.550 0.001 0.000 0.258 838 Y C 0.444 176.466 175.900 0.205 0.000 1.103 838 Y CA -0.465 57.743 58.100 0.179 0.000 1.287 838 Y CB 0.149 38.767 38.460 0.262 0.000 1.108 838 Y HN -0.026 nan 8.280 nan 0.000 0.529 839 Y N 1.812 122.246 120.300 0.223 0.000 2.299 839 Y HA 0.112 4.663 4.550 0.001 0.000 0.335 839 Y C 0.566 176.511 175.900 0.076 0.000 1.287 839 Y CA -1.011 57.209 58.100 0.200 0.000 1.424 839 Y CB 0.374 38.999 38.460 0.276 0.000 1.326 839 Y HN -0.050 nan 8.280 nan 0.000 0.567 840 D N 2.289 122.594 120.400 -0.158 0.000 2.488 840 D HA -0.019 4.622 4.640 0.001 0.000 0.238 840 D C -0.277 176.067 176.300 0.073 0.000 1.138 840 D CA 0.214 54.163 54.000 -0.085 0.000 0.873 840 D CB 0.708 41.388 40.800 -0.200 0.000 1.183 840 D HN 0.303 nan 8.370 nan 0.000 0.458 841 K N 3.548 123.962 120.400 0.023 0.000 3.358 841 K HA 0.070 4.390 4.320 0.001 0.000 0.297 841 K C -0.227 176.391 176.600 0.029 0.000 1.064 841 K CA -0.190 56.109 56.287 0.020 0.000 1.144 841 K CB -0.641 31.849 32.500 -0.015 0.000 1.289 841 K HN 0.330 nan 8.250 nan 0.000 0.372 842 L N 0.000 121.269 121.223 0.076 0.000 2.949 842 L HA 0.000 4.341 4.340 0.001 0.000 0.249 842 L CA 0.000 54.883 54.840 0.072 0.000 0.813 842 L CB 0.000 42.121 42.059 0.103 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502