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 1zm4_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 0.000 175.773 176.094 -0.534 0.000 1.182 2 V CA 0.000 62.088 62.300 -0.354 0.000 1.235 2 V CB 0.000 31.531 31.823 -0.487 0.000 1.184 3 A N 5.221 127.782 122.820 -0.432 0.000 2.354 3 A HA 0.812 5.133 4.320 0.001 0.000 0.281 3 A C -1.044 176.310 177.584 -0.384 0.000 1.174 3 A CA 0.105 51.957 52.037 -0.309 0.000 0.828 3 A CB -0.135 18.772 19.000 -0.154 0.000 1.099 3 A HN 0.800 nan 8.150 nan 0.000 0.516 4 F N 0.557 120.476 119.950 -0.052 0.000 2.579 4 F HA 0.573 5.100 4.527 0.001 0.000 0.324 4 F C 1.088 176.857 175.800 -0.051 0.000 1.058 4 F CA -0.550 57.405 58.000 -0.076 0.000 0.944 4 F CB 2.143 41.077 39.000 -0.110 0.000 1.245 4 F HN 0.654 nan 8.300 nan 0.000 0.477 5 T N -1.783 112.880 114.554 0.182 0.000 2.874 5 T HA 0.358 4.708 4.350 0.001 0.000 0.281 5 T C 1.038 175.764 174.700 0.043 0.000 0.994 5 T CA -0.690 61.455 62.100 0.074 0.000 1.015 5 T CB 1.166 70.056 68.868 0.037 0.000 1.028 5 T HN 0.301 nan 8.240 nan 0.000 0.523 6 V N 1.242 121.169 119.914 0.022 0.000 2.453 6 V HA -0.172 3.949 4.120 0.001 0.000 0.252 6 V C 2.405 178.487 176.094 -0.019 0.000 1.068 6 V CA 2.040 64.344 62.300 0.007 0.000 1.070 6 V CB -0.796 31.029 31.823 0.004 0.000 0.664 6 V HN 0.882 nan 8.190 nan 0.000 0.461 7 D N -0.529 119.854 120.400 -0.028 0.000 2.084 7 D HA -0.155 4.486 4.640 0.001 0.000 0.196 7 D C 2.294 178.537 176.300 -0.094 0.000 0.985 7 D CA 1.252 55.222 54.000 -0.050 0.000 0.826 7 D CB -0.166 40.609 40.800 -0.042 0.000 0.978 7 D HN 0.529 nan 8.370 nan 0.000 0.456 8 Q N -0.010 119.716 119.800 -0.122 0.000 2.029 8 Q HA -0.192 4.149 4.340 0.001 0.000 0.209 8 Q C 2.355 178.167 176.000 -0.312 0.000 0.999 8 Q CA 1.336 56.978 55.803 -0.268 0.000 0.857 8 Q CB -0.139 28.384 28.738 -0.358 0.000 0.926 8 Q HN 0.267 nan 8.270 nan 0.000 0.415 9 M N 0.244 119.709 119.600 -0.225 0.000 2.084 9 M HA -0.202 4.278 4.480 0.001 0.000 0.259 9 M C 2.289 178.522 176.300 -0.111 0.000 1.072 9 M CA 1.766 56.974 55.300 -0.154 0.000 1.107 9 M CB -1.044 31.535 32.600 -0.034 0.000 1.299 9 M HN 0.149 nan 8.290 nan 0.000 0.413 10 R N 0.599 121.053 120.500 -0.077 0.000 2.133 10 R HA -0.163 4.178 4.340 0.001 0.000 0.245 10 R C 2.276 178.531 176.300 -0.074 0.000 1.137 10 R CA 2.802 58.866 56.100 -0.060 0.000 0.947 10 R CB -1.408 28.864 30.300 -0.048 0.000 0.865 10 R HN 0.355 nan 8.270 nan 0.000 0.437 11 S N -0.734 114.908 115.700 -0.096 0.000 2.368 11 S HA -0.086 4.384 4.470 0.001 0.000 0.225 11 S C 1.768 176.304 174.600 -0.107 0.000 1.030 11 S CA 1.158 59.299 58.200 -0.098 0.000 0.999 11 S CB -0.471 62.660 63.200 -0.114 0.000 0.844 11 S HN 0.386 nan 8.310 nan 0.000 0.459 12 L N 1.781 122.920 121.223 -0.140 0.000 2.017 12 L HA 0.087 4.427 4.340 0.001 0.000 0.208 12 L C 2.302 179.130 176.870 -0.071 0.000 1.073 12 L CA 2.013 56.776 54.840 -0.127 0.000 0.745 12 L CB -0.819 41.135 42.059 -0.175 0.000 0.894 12 L HN 0.386 nan 8.230 nan 0.000 0.432 13 M N -0.883 118.682 119.600 -0.059 0.000 2.346 13 M HA -0.219 4.262 4.480 0.001 0.000 0.263 13 M C 1.628 177.907 176.300 -0.036 0.000 1.064 13 M CA 1.458 56.736 55.300 -0.036 0.000 1.083 13 M CB -0.575 32.005 32.600 -0.034 0.000 1.399 13 M HN 0.327 nan 8.290 nan 0.000 0.435 14 D N 0.504 120.877 120.400 -0.044 0.000 2.149 14 D HA -0.051 4.589 4.640 0.001 0.000 0.201 14 D C 0.533 176.813 176.300 -0.033 0.000 0.972 14 D CA 1.035 55.012 54.000 -0.038 0.000 0.835 14 D CB 0.024 40.798 40.800 -0.043 0.000 0.966 14 D HN 0.173 nan 8.370 nan 0.000 0.476 15 K N 1.108 121.484 120.400 -0.040 0.000 2.081 15 K HA 0.072 4.392 4.320 0.001 0.000 0.230 15 K C 1.010 177.607 176.600 -0.006 0.000 1.199 15 K CA -0.149 56.118 56.287 -0.033 0.000 1.130 15 K CB 0.422 32.883 32.500 -0.064 0.000 1.386 15 K HN -0.144 nan 8.250 nan 0.000 0.280 16 V N 0.586 120.500 119.914 0.000 0.000 2.515 16 V HA -0.235 3.885 4.120 0.001 0.000 0.250 16 V C 2.120 178.239 176.094 0.042 0.000 1.058 16 V CA 2.188 64.495 62.300 0.012 0.000 1.064 16 V CB -0.719 31.102 31.823 -0.003 0.000 0.675 16 V HN 0.810 nan 8.190 nan 0.000 0.461 17 T N -2.166 112.416 114.554 0.048 0.000 3.098 17 T HA -0.099 4.251 4.350 0.001 0.000 0.266 17 T C 1.152 175.954 174.700 0.170 0.000 1.145 17 T CA 1.482 63.630 62.100 0.081 0.000 1.092 17 T CB -0.471 68.437 68.868 0.066 0.000 0.908 17 T HN 0.445 nan 8.240 nan 0.000 0.526 18 N N 0.241 119.044 118.700 0.172 0.000 2.214 18 N HA 0.309 5.050 4.740 0.001 0.000 0.214 18 N C -0.937 174.792 175.510 0.365 0.000 1.132 18 N CA -0.138 53.119 53.050 0.345 0.000 0.856 18 N CB 0.999 39.433 38.487 -0.088 0.000 1.020 18 N HN 0.269 nan 8.380 nan 0.000 0.509 19 V N 1.127 121.159 119.914 0.195 0.000 2.483 19 V HA 0.492 4.613 4.120 0.001 0.000 0.295 19 V C -0.070 176.081 176.094 0.095 0.000 1.035 19 V CA -0.771 61.609 62.300 0.133 0.000 0.896 19 V CB 1.793 33.655 31.823 0.064 0.000 0.986 19 V HN 0.050 nan 8.190 nan 0.000 0.447 20 R N 3.357 123.905 120.500 0.081 0.000 2.388 20 R HA 0.451 4.791 4.340 0.001 0.000 0.314 20 R C -1.059 175.267 176.300 0.043 0.000 0.959 20 R CA -0.557 55.568 56.100 0.041 0.000 0.851 20 R CB 1.265 31.574 30.300 0.015 0.000 1.168 20 R HN 0.613 nan 8.270 nan 0.000 0.472 21 N N 4.248 122.969 118.700 0.034 0.000 2.425 21 N HA 0.503 5.243 4.740 0.001 0.000 0.268 21 N C -0.125 175.411 175.510 0.044 0.000 0.991 21 N CA -0.454 52.620 53.050 0.041 0.000 0.931 21 N CB 1.688 40.189 38.487 0.024 0.000 1.130 21 N HN 0.379 nan 8.380 nan 0.000 0.493 22 M N -0.886 118.745 119.600 0.052 0.000 2.880 22 M HA 0.575 5.055 4.480 0.001 0.000 0.269 22 M C -0.653 175.675 176.300 0.047 0.000 1.248 22 M CA -1.034 54.292 55.300 0.043 0.000 0.821 22 M CB 1.105 33.719 32.600 0.022 0.000 1.650 22 M HN 0.135 nan 8.290 nan 0.000 0.479 23 S N -0.493 115.228 115.700 0.034 0.000 2.632 23 S HA 0.945 5.415 4.470 0.001 0.000 0.289 23 S C -1.684 172.921 174.600 0.009 0.000 1.115 23 S CA -0.660 57.557 58.200 0.028 0.000 0.889 23 S CB 1.925 65.149 63.200 0.040 0.000 1.116 23 S HN 0.813 nan 8.310 nan 0.000 0.486 24 V N 3.615 123.530 119.914 0.002 0.000 2.311 24 V HA 0.436 4.556 4.120 0.001 0.000 0.275 24 V C -0.353 175.740 176.094 -0.002 0.000 1.022 24 V CA -0.453 61.843 62.300 -0.007 0.000 0.830 24 V CB 0.701 32.517 31.823 -0.011 0.000 1.012 24 V HN 0.724 nan 8.190 nan 0.000 0.452 25 I N 5.157 125.724 120.570 -0.004 0.000 2.294 25 I HA 0.634 4.805 4.170 0.001 0.000 0.295 25 I C 0.457 176.582 176.117 0.015 0.000 1.098 25 I CA 0.328 61.630 61.300 0.003 0.000 1.277 25 I CB 0.553 38.551 38.000 -0.003 0.000 1.434 25 I HN 0.729 nan 8.210 nan 0.000 0.498 26 A N 4.625 127.460 122.820 0.026 0.000 2.583 26 A HA 0.330 4.651 4.320 0.001 0.000 0.298 26 A C -0.992 176.627 177.584 0.058 0.000 1.055 26 A CA -0.688 51.389 52.037 0.066 0.000 0.714 26 A CB 0.673 19.715 19.000 0.070 0.000 1.277 26 A HN 0.764 nan 8.150 nan 0.000 0.406 27 H N 0.968 120.002 119.070 -0.060 0.000 2.871 27 H HA 0.253 4.810 4.556 0.001 0.000 0.355 27 H C 1.642 176.884 175.328 -0.144 0.000 1.092 27 H CA 0.806 56.736 56.048 -0.198 0.000 1.420 27 H CB 1.124 30.563 29.762 -0.537 0.000 1.400 27 H HN 0.868 nan 8.280 nan 0.000 0.604 28 V N 0.783 120.705 119.914 0.013 0.000 2.392 28 V HA -0.194 3.927 4.120 0.001 0.000 0.249 28 V C 1.062 177.254 176.094 0.163 0.000 1.059 28 V CA 1.957 64.303 62.300 0.077 0.000 1.051 28 V CB -0.157 31.669 31.823 0.004 0.000 0.658 28 V HN 0.775 nan 8.190 nan 0.000 0.455 29 D N -0.291 120.287 120.400 0.298 0.000 2.413 29 D HA 0.117 4.758 4.640 0.001 0.000 0.237 29 D C 0.560 176.915 176.300 0.092 0.000 1.171 29 D CA 0.416 54.458 54.000 0.070 0.000 0.839 29 D CB -0.429 40.332 40.800 -0.065 0.000 0.950 29 D HN 0.735 nan 8.370 nan 0.000 0.499 30 H N -1.203 117.886 119.070 0.031 0.000 2.637 30 H HA 0.255 4.812 4.556 0.001 0.000 0.245 30 H C 1.041 176.364 175.328 -0.008 0.000 1.190 30 H CA -0.357 55.685 56.048 -0.009 0.000 0.934 30 H CB 0.997 30.759 29.762 -0.001 0.000 1.950 30 H HN 0.144 nan 8.280 nan 0.000 0.614 31 G N 2.269 111.137 108.800 0.113 0.000 2.198 31 G HA2 -0.398 3.563 3.960 0.001 0.000 0.260 31 G HA3 -0.398 3.563 3.960 0.001 0.000 0.260 31 G C 1.178 176.101 174.900 0.040 0.000 1.025 31 G CA 0.970 46.101 45.100 0.053 0.000 0.769 31 G HN 0.514 nan 8.290 nan 0.000 0.507 32 K N 0.600 121.035 120.400 0.058 0.000 2.020 32 K HA -0.191 4.129 4.320 0.001 0.000 0.212 32 K C 2.899 179.506 176.600 0.012 0.000 1.050 32 K CA 2.469 58.776 56.287 0.033 0.000 0.929 32 K CB -0.348 32.172 32.500 0.033 0.000 0.714 32 K HN 0.705 nan 8.250 nan 0.000 0.443 33 S N -0.204 115.505 115.700 0.015 0.000 2.355 33 S HA -0.118 4.352 4.470 0.001 0.000 0.222 33 S C 2.085 176.688 174.600 0.006 0.000 1.031 33 S CA 1.691 59.894 58.200 0.005 0.000 0.993 33 S CB -0.930 62.274 63.200 0.007 0.000 0.859 33 S HN 0.358 nan 8.310 nan 0.000 0.453 34 T N 3.038 117.600 114.554 0.014 0.000 2.699 34 T HA 0.035 4.385 4.350 0.001 0.000 0.268 34 T C 1.698 176.400 174.700 0.003 0.000 1.036 34 T CA 1.518 63.626 62.100 0.014 0.000 1.147 34 T CB -0.564 68.317 68.868 0.022 0.000 0.862 34 T HN 0.289 nan 8.240 nan 0.000 0.446 35 L N 0.990 122.208 121.223 -0.009 0.000 2.156 35 L HA -0.079 4.262 4.340 0.001 0.000 0.208 35 L C 2.961 179.820 176.870 -0.018 0.000 1.095 35 L CA 1.390 56.216 54.840 -0.024 0.000 0.770 35 L CB -0.922 41.112 42.059 -0.042 0.000 0.914 35 L HN 0.444 nan 8.230 nan 0.000 0.439 36 T N -3.726 110.820 114.554 -0.012 0.000 2.812 36 T HA -0.129 4.221 4.350 0.001 0.000 0.264 36 T C 1.430 176.127 174.700 -0.005 0.000 1.042 36 T CA 0.933 63.027 62.100 -0.011 0.000 1.140 36 T CB -0.313 68.547 68.868 -0.013 0.000 0.870 36 T HN 0.213 nan 8.240 nan 0.000 0.445 37 D N 1.286 121.685 120.400 -0.002 0.000 2.218 37 D HA -0.048 4.593 4.640 0.001 0.000 0.204 37 D C 2.245 178.551 176.300 0.010 0.000 0.976 37 D CA 0.928 54.930 54.000 0.004 0.000 0.853 37 D CB -0.302 40.502 40.800 0.007 0.000 0.939 37 D HN 0.425 nan 8.370 nan 0.000 0.481 38 S N -0.191 115.514 115.700 0.009 0.000 2.406 38 S HA -0.058 4.412 4.470 0.001 0.000 0.228 38 S C 1.801 176.409 174.600 0.012 0.000 1.020 38 S CA 0.344 58.553 58.200 0.014 0.000 0.965 38 S CB 0.076 63.282 63.200 0.010 0.000 0.798 38 S HN 0.056 nan 8.310 nan 0.000 0.488 39 L N 0.710 121.937 121.223 0.006 0.000 2.509 39 L HA 0.219 4.559 4.340 0.001 0.000 0.222 39 L C 1.880 178.763 176.870 0.021 0.000 1.123 39 L CA 0.411 55.256 54.840 0.009 0.000 0.856 39 L CB 0.053 42.113 42.059 0.001 0.000 0.985 39 L HN 0.176 nan 8.230 nan 0.000 0.456 40 V N -1.358 118.567 119.914 0.019 0.000 2.575 40 V HA -0.112 4.009 4.120 0.001 0.000 0.242 40 V C 1.812 177.923 176.094 0.028 0.000 1.045 40 V CA 0.925 63.240 62.300 0.025 0.000 1.065 40 V CB -0.282 31.549 31.823 0.014 0.000 0.717 40 V HN 0.430 nan 8.190 nan 0.000 0.467 41 Q N -0.248 119.567 119.800 0.024 0.000 2.431 41 Q HA -0.009 4.332 4.340 0.001 0.000 0.210 41 Q C 1.887 177.904 176.000 0.028 0.000 0.958 41 Q CA 0.403 56.221 55.803 0.026 0.000 0.957 41 Q CB 0.184 28.937 28.738 0.026 0.000 1.007 41 Q HN 0.400 nan 8.270 nan 0.000 0.511 42 R N -0.076 120.442 120.500 0.030 0.000 2.610 42 R HA 0.227 4.568 4.340 0.001 0.000 0.171 42 R C 0.508 176.833 176.300 0.041 0.000 0.892 42 R CA 1.123 57.242 56.100 0.031 0.000 1.086 42 R CB -0.191 30.123 30.300 0.025 0.000 1.320 42 R HN -0.014 nan 8.270 nan 0.000 0.582 43 A N 0.451 123.300 122.820 0.049 0.000 2.630 43 A HA 0.519 4.840 4.320 0.001 0.000 0.290 43 A C 0.365 178.012 177.584 0.105 0.000 1.267 43 A CA -0.087 51.999 52.037 0.082 0.000 0.950 43 A CB -0.109 18.930 19.000 0.065 0.000 1.144 43 A HN 0.334 nan 8.150 nan 0.000 0.527 44 G N 0.595 109.438 108.800 0.073 0.000 2.361 44 G HA2 0.461 4.422 3.960 0.001 0.000 0.260 44 G HA3 0.461 4.422 3.960 0.001 0.000 0.260 44 G C -0.168 174.772 174.900 0.066 0.000 1.261 44 G CA -0.088 45.053 45.100 0.070 0.000 0.897 44 G HN 0.173 nan 8.290 nan 0.000 0.499 45 I N 3.138 123.765 120.570 0.096 0.000 2.315 45 I HA 0.322 4.492 4.170 0.001 0.000 0.291 45 I C 0.027 176.185 176.117 0.069 0.000 1.006 45 I CA -0.810 60.538 61.300 0.080 0.000 1.265 45 I CB 1.022 39.148 38.000 0.210 0.000 1.387 45 I HN 0.200 nan 8.210 nan 0.000 0.475 46 I N 4.566 125.136 120.570 0.000 0.000 2.707 46 I HA 0.370 4.540 4.170 0.001 0.000 0.309 46 I C 0.603 176.731 176.117 0.018 0.000 1.001 46 I CA -0.424 60.894 61.300 0.031 0.000 1.129 46 I CB 1.493 39.488 38.000 -0.009 0.000 1.308 46 I HN 0.567 nan 8.210 nan 0.000 0.466 47 S N 2.269 117.991 115.700 0.036 0.000 2.554 47 S HA 0.846 5.316 4.470 0.001 0.000 0.278 47 S C 0.014 174.609 174.600 -0.008 0.000 1.242 47 S CA -0.790 57.432 58.200 0.036 0.000 1.051 47 S CB 1.332 64.558 63.200 0.044 0.000 0.986 47 S HN 0.849 nan 8.310 nan 0.000 0.502 68 I N 3.307 123.926 120.570 0.082 0.000 2.330 68 I HA 0.346 4.516 4.170 0.001 0.000 0.286 68 I C 0.498 176.680 176.117 0.109 0.000 1.025 68 I CA -0.653 60.700 61.300 0.089 0.000 1.197 68 I CB 0.350 38.446 38.000 0.160 0.000 1.358 68 I HN 0.183 nan 8.210 nan 0.000 0.467 69 T N 5.752 120.341 114.554 0.059 0.000 2.799 69 T HA 0.792 5.143 4.350 0.001 0.000 0.286 69 T C -0.003 174.653 174.700 -0.072 0.000 0.973 69 T CA -0.595 61.541 62.100 0.060 0.000 1.035 69 T CB 1.490 70.400 68.868 0.070 0.000 0.932 69 T HN 0.468 nan 8.240 nan 0.000 0.469 70 I N -0.288 120.225 120.570 -0.095 0.000 3.100 70 I HA 0.619 4.789 4.170 0.001 0.000 0.312 70 I C -0.064 175.949 176.117 -0.173 0.000 1.063 70 I CA -1.584 59.616 61.300 -0.167 0.000 1.031 70 I CB 1.731 39.661 38.000 -0.116 0.000 1.243 70 I HN 0.500 nan 8.210 nan 0.000 0.483 71 K N 2.682 122.975 120.400 -0.178 0.000 2.310 71 K HA 0.118 4.439 4.320 0.001 0.000 0.290 71 K C -0.080 176.420 176.600 -0.166 0.000 1.077 71 K CA 0.059 56.248 56.287 -0.163 0.000 0.922 71 K CB 0.766 33.180 32.500 -0.144 0.000 1.057 71 K HN 0.784 nan 8.250 nan 0.000 0.479 72 S N 3.537 119.129 115.700 -0.181 0.000 2.885 72 S HA -0.055 4.416 4.470 0.001 0.000 0.334 72 S C 0.557 175.037 174.600 -0.200 0.000 1.224 72 S CA 0.394 58.481 58.200 -0.188 0.000 1.080 72 S CB 0.180 63.271 63.200 -0.181 0.000 0.801 72 S HN 0.713 nan 8.310 nan 0.000 0.510 73 T N 4.156 118.558 114.554 -0.254 0.000 3.019 73 T HA 0.524 4.875 4.350 0.001 0.000 0.247 73 T C 0.262 174.739 174.700 -0.372 0.000 0.992 73 T CA 0.474 62.340 62.100 -0.390 0.000 1.036 73 T CB 0.413 68.860 68.868 -0.701 0.000 1.063 73 T HN 0.818 nan 8.240 nan 0.000 0.476 74 A N 0.891 123.553 122.820 -0.264 0.000 2.556 74 A HA 0.762 5.082 4.320 0.001 0.000 0.294 74 A C -1.815 175.751 177.584 -0.030 0.000 1.091 74 A CA -0.627 51.348 52.037 -0.104 0.000 0.704 74 A CB 1.310 20.322 19.000 0.020 0.000 1.300 74 A HN 0.171 nan 8.150 nan 0.000 0.406 75 I N 1.178 121.754 120.570 0.010 0.000 2.498 75 I HA 0.364 4.534 4.170 0.001 0.000 0.290 75 I C -0.114 176.044 176.117 0.068 0.000 1.032 75 I CA -0.319 60.997 61.300 0.028 0.000 1.073 75 I CB 1.837 39.843 38.000 0.010 0.000 1.251 75 I HN 0.560 nan 8.210 nan 0.000 0.426 76 S N 6.602 122.357 115.700 0.091 0.000 2.439 76 S HA 0.549 5.020 4.470 0.001 0.000 0.282 76 S C -0.292 174.394 174.600 0.143 0.000 1.170 76 S CA -0.459 57.815 58.200 0.124 0.000 1.054 76 S CB 0.504 63.789 63.200 0.142 0.000 0.956 76 S HN 0.237 nan 8.310 nan 0.000 0.490 77 L N 4.049 125.361 121.223 0.150 0.000 2.313 77 L HA 0.466 4.806 4.340 0.001 0.000 0.283 77 L C -0.603 176.411 176.870 0.240 0.000 1.013 77 L CA -0.563 54.374 54.840 0.162 0.000 0.816 77 L CB 0.810 42.928 42.059 0.099 0.000 1.236 77 L HN 0.649 nan 8.230 nan 0.000 0.419 78 Y N 2.699 123.091 120.300 0.152 0.000 2.341 78 Y HA 0.726 5.276 4.550 0.001 0.000 0.337 78 Y C -0.177 175.818 175.900 0.158 0.000 1.014 78 Y CA -0.283 57.935 58.100 0.196 0.000 1.111 78 Y CB 1.775 40.449 38.460 0.356 0.000 1.194 78 Y HN 0.594 nan 8.280 nan 0.000 0.462 79 S N 4.694 120.053 115.700 -0.569 0.000 2.541 79 S HA 0.433 4.904 4.470 0.001 0.000 0.271 79 S C -1.726 172.585 174.600 -0.482 0.000 1.133 79 S CA -0.758 57.183 58.200 -0.432 0.000 0.876 79 S CB 1.317 64.452 63.200 -0.107 0.000 1.105 79 S HN 0.839 nan 8.310 nan 0.000 0.470 80 E N 3.119 123.135 120.200 -0.307 0.000 2.277 80 E HA 0.620 4.971 4.350 0.001 0.000 0.266 80 E C -0.982 175.631 176.600 0.023 0.000 0.901 80 E CA -0.728 55.591 56.400 -0.135 0.000 0.782 80 E CB 1.083 30.714 29.700 -0.115 0.000 1.228 80 E HN 0.576 nan 8.360 nan 0.000 0.424 81 M N 0.729 120.385 119.600 0.093 0.000 2.791 81 M HA 0.375 4.855 4.480 0.001 0.000 0.286 81 M C -0.123 176.213 176.300 0.060 0.000 1.238 81 M CA -0.866 54.495 55.300 0.102 0.000 0.762 81 M CB 1.028 33.754 32.600 0.211 0.000 1.758 81 M HN 0.598 nan 8.290 nan 0.000 0.447 82 S N -1.101 114.627 115.700 0.048 0.000 2.718 82 S HA 0.417 4.888 4.470 0.001 0.000 0.300 82 S C -0.087 174.533 174.600 0.034 0.000 1.117 82 S CA -0.587 57.631 58.200 0.029 0.000 1.002 82 S CB 1.101 64.310 63.200 0.015 0.000 1.092 82 S HN 0.589 nan 8.310 nan 0.000 0.542 83 D N 0.608 121.021 120.400 0.021 0.000 2.311 83 D HA -0.049 4.592 4.640 0.001 0.000 0.212 83 D C 1.349 177.661 176.300 0.020 0.000 0.972 83 D CA 0.997 55.009 54.000 0.019 0.000 0.887 83 D CB 0.070 40.876 40.800 0.010 0.000 0.915 83 D HN 0.521 nan 8.370 nan 0.000 0.497 84 E N 0.293 120.503 120.200 0.016 0.000 2.166 84 E HA -0.039 4.312 4.350 0.001 0.000 0.192 84 E C 1.342 177.948 176.600 0.010 0.000 0.967 84 E CA 0.482 56.889 56.400 0.011 0.000 0.840 84 E CB -0.059 29.645 29.700 0.006 0.000 0.795 84 E HN 0.349 nan 8.360 nan 0.000 0.470 85 D N 0.872 121.280 120.400 0.014 0.000 2.123 85 D HA -0.075 4.566 4.640 0.001 0.000 0.200 85 D C 1.993 178.306 176.300 0.021 0.000 0.976 85 D CA 0.708 54.712 54.000 0.006 0.000 0.831 85 D CB 0.189 40.996 40.800 0.012 0.000 0.974 85 D HN -0.021 nan 8.370 nan 0.000 0.469 86 V N 1.326 121.279 119.914 0.064 0.000 2.867 86 V HA -0.147 3.974 4.120 0.001 0.000 0.260 86 V C 2.281 178.407 176.094 0.054 0.000 1.099 86 V CA 1.144 63.506 62.300 0.103 0.000 1.122 86 V CB -0.272 31.621 31.823 0.116 0.000 0.708 86 V HN 0.052 nan 8.190 nan 0.000 0.490 87 K N 0.103 120.520 120.400 0.028 0.000 2.186 87 K HA -0.001 4.319 4.320 0.001 0.000 0.202 87 K C 2.059 178.662 176.600 0.004 0.000 1.052 87 K CA 0.732 57.029 56.287 0.017 0.000 0.965 87 K CB -0.056 32.452 32.500 0.012 0.000 0.746 87 K HN 0.558 nan 8.250 nan 0.000 0.457 88 E N 0.628 120.823 120.200 -0.008 0.000 2.118 88 E HA -0.097 4.254 4.350 0.001 0.000 0.195 88 E C 0.325 176.901 176.600 -0.039 0.000 0.992 88 E CA 0.482 56.868 56.400 -0.024 0.000 0.804 88 E CB -0.105 29.571 29.700 -0.039 0.000 0.741 88 E HN 0.242 nan 8.360 nan 0.000 0.458 89 I N 2.703 123.240 120.570 -0.055 0.000 2.576 89 I HA -0.051 4.120 4.170 0.001 0.000 0.288 89 I C 1.249 177.352 176.117 -0.023 0.000 1.126 89 I CA -0.188 61.070 61.300 -0.071 0.000 1.362 89 I CB 0.424 38.365 38.000 -0.098 0.000 1.419 89 I HN -0.137 nan 8.210 nan 0.000 0.533 90 K N 5.172 125.565 120.400 -0.011 0.000 2.520 90 K HA -0.161 4.160 4.320 0.001 0.000 0.197 90 K C 0.713 177.322 176.600 0.014 0.000 1.044 90 K CA 1.023 57.315 56.287 0.008 0.000 0.938 90 K CB -0.142 32.369 32.500 0.018 0.000 0.767 90 K HN 0.680 nan 8.250 nan 0.000 0.481 91 Q N 0.824 120.630 119.800 0.010 0.000 2.230 91 Q HA 0.079 4.420 4.340 0.001 0.000 0.248 91 Q C -0.915 175.104 176.000 0.031 0.000 0.915 91 Q CA -0.677 55.139 55.803 0.022 0.000 0.900 91 Q CB 0.925 29.672 28.738 0.016 0.000 1.229 91 Q HN 0.038 nan 8.270 nan 0.000 0.439 92 K N 2.968 123.391 120.400 0.038 0.000 2.363 92 K HA 0.089 4.410 4.320 0.001 0.000 0.289 92 K C -0.779 175.857 176.600 0.059 0.000 1.063 92 K CA 0.267 56.579 56.287 0.041 0.000 0.967 92 K CB 0.176 32.696 32.500 0.034 0.000 0.987 92 K HN 0.743 nan 8.250 nan 0.000 0.473 93 T N 0.654 115.252 114.554 0.072 0.000 2.762 93 T HA 0.426 4.776 4.350 0.001 0.000 0.272 93 T C -0.884 173.852 174.700 0.060 0.000 0.982 93 T CA -0.873 61.292 62.100 0.108 0.000 1.013 93 T CB 1.469 70.466 68.868 0.214 0.000 1.309 93 T HN 0.588 nan 8.240 nan 0.000 0.572 94 D N -1.408 119.014 120.400 0.037 0.000 2.266 94 D HA 0.479 5.120 4.640 0.001 0.000 0.218 94 D C -0.195 176.052 176.300 -0.087 0.000 1.311 94 D CA 0.772 54.762 54.000 -0.016 0.000 0.918 94 D CB 0.308 41.098 40.800 -0.016 0.000 1.530 94 D HN 1.253 nan 8.370 nan 0.000 0.514 95 G N 2.246 110.985 108.800 -0.102 0.000 2.423 95 G HA2 -0.053 3.908 3.960 0.001 0.000 0.684 95 G HA3 -0.053 3.908 3.960 0.001 0.000 0.684 95 G C -0.216 174.524 174.900 -0.268 0.000 1.309 95 G CA -0.462 44.532 45.100 -0.177 0.000 0.950 95 G HN 0.392 nan 8.290 nan 0.000 0.587 96 N N -0.602 117.933 118.700 -0.276 0.000 2.171 96 N HA 0.174 4.914 4.740 0.001 0.000 0.212 96 N C 0.350 175.612 175.510 -0.413 0.000 1.184 96 N CA 0.425 53.326 53.050 -0.249 0.000 0.888 96 N CB 0.983 39.428 38.487 -0.071 0.000 1.038 96 N HN 0.463 nan 8.380 nan 0.000 0.517 97 S N 0.797 116.208 115.700 -0.481 0.000 2.525 97 S HA 0.519 4.990 4.470 0.001 0.000 0.278 97 S C -0.694 173.509 174.600 -0.662 0.000 1.234 97 S CA -0.272 57.747 58.200 -0.301 0.000 1.058 97 S CB 0.668 63.931 63.200 0.105 0.000 0.983 97 S HN 0.028 nan 8.310 nan 0.000 0.495 98 F N 2.011 121.933 119.950 -0.047 0.000 2.536 98 F HA 0.414 4.942 4.527 0.001 0.000 0.322 98 F C -0.423 175.410 175.800 0.055 0.000 1.144 98 F CA -1.005 56.986 58.000 -0.015 0.000 0.924 98 F CB 1.270 40.228 39.000 -0.070 0.000 1.181 98 F HN 0.325 nan 8.300 nan 0.000 0.438 99 L N 5.599 126.975 121.223 0.256 0.000 2.278 99 L HA 0.514 4.854 4.340 0.001 0.000 0.287 99 L C -0.646 176.324 176.870 0.165 0.000 1.072 99 L CA -0.027 54.936 54.840 0.205 0.000 0.819 99 L CB 0.022 42.160 42.059 0.132 0.000 1.176 99 L HN 0.457 nan 8.230 nan 0.000 0.435 100 I N 5.140 125.800 120.570 0.150 0.000 2.371 100 I HA 0.270 4.440 4.170 0.001 0.000 0.282 100 I C -0.373 175.801 176.117 0.095 0.000 1.031 100 I CA -0.527 60.834 61.300 0.102 0.000 1.180 100 I CB 0.660 38.707 38.000 0.078 0.000 1.336 100 I HN 0.581 nan 8.210 nan 0.000 0.467 101 N N 5.999 124.750 118.700 0.086 0.000 2.411 101 N HA 0.240 4.980 4.740 0.001 0.000 0.259 101 N C -0.641 174.918 175.510 0.081 0.000 1.103 101 N CA -0.358 52.748 53.050 0.093 0.000 0.954 101 N CB 0.934 39.480 38.487 0.098 0.000 1.085 101 N HN 0.396 nan 8.380 nan 0.000 0.485 102 L N 4.786 126.052 121.223 0.071 0.000 2.314 102 L HA 0.445 4.785 4.340 0.001 0.000 0.275 102 L C -1.145 175.747 176.870 0.037 0.000 1.068 102 L CA -0.656 54.211 54.840 0.045 0.000 0.894 102 L CB -0.161 41.913 42.059 0.026 0.000 1.275 102 L HN 0.411 nan 8.230 nan 0.000 0.432 103 I N 3.901 124.507 120.570 0.061 0.000 2.421 103 I HA 0.102 4.273 4.170 0.001 0.000 0.291 103 I C 0.645 176.758 176.117 -0.008 0.000 1.089 103 I CA 0.065 61.395 61.300 0.050 0.000 1.354 103 I CB 0.161 38.250 38.000 0.148 0.000 1.413 103 I HN 0.546 nan 8.210 nan 0.000 0.513 104 D N 4.202 124.556 120.400 -0.075 0.000 2.443 104 D HA 0.091 4.732 4.640 0.001 0.000 0.234 104 D C -0.143 176.123 176.300 -0.057 0.000 1.172 104 D CA 0.631 54.582 54.000 -0.082 0.000 0.878 104 D CB 0.682 41.403 40.800 -0.132 0.000 1.204 104 D HN 0.462 nan 8.370 nan 0.000 0.453 105 S N 1.079 116.746 115.700 -0.055 0.000 2.570 105 S HA 0.663 5.134 4.470 0.001 0.000 0.286 105 S C -2.614 171.936 174.600 -0.083 0.000 1.099 105 S CA -1.372 56.804 58.200 -0.040 0.000 0.913 105 S CB 1.211 64.404 63.200 -0.011 0.000 1.085 105 S HN 0.272 nan 8.310 nan 0.000 0.480 106 P HA 0.269 nan 4.420 nan 0.000 0.272 106 P C 0.569 177.809 177.300 -0.099 0.000 1.254 106 P CA -0.134 62.840 63.100 -0.211 0.000 0.795 106 P CB 0.277 31.867 31.700 -0.183 0.000 1.022 107 G N -1.372 107.382 108.800 -0.076 0.000 2.570 107 G HA2 -0.004 3.956 3.960 0.001 0.000 0.209 107 G HA3 -0.004 3.956 3.960 0.001 0.000 0.209 107 G C -0.155 174.812 174.900 0.112 0.000 1.168 107 G CA 0.491 45.617 45.100 0.043 0.000 0.831 107 G HN 0.484 nan 8.290 nan 0.000 0.564 108 H N -0.680 118.544 119.070 0.258 0.000 2.511 108 H HA 0.425 4.981 4.556 0.001 0.000 0.346 108 H C 0.929 176.441 175.328 0.307 0.000 1.128 108 H CA -0.449 55.750 56.048 0.253 0.000 1.342 108 H CB 2.203 32.125 29.762 0.266 0.000 1.470 108 H HN -0.094 nan 8.280 nan 0.000 0.546 109 V N 1.838 121.865 119.914 0.188 0.000 3.623 109 V HA -0.082 4.039 4.120 0.001 0.000 0.271 109 V C 0.806 176.974 176.094 0.124 0.000 1.248 109 V CA 0.754 63.145 62.300 0.151 0.000 1.156 109 V CB -0.296 31.562 31.823 0.059 0.000 0.870 109 V HN 0.773 nan 8.190 nan 0.000 0.453 110 D N 0.338 120.781 120.400 0.071 0.000 2.371 110 D HA -0.055 4.585 4.640 0.001 0.000 0.221 110 D C 1.301 177.492 176.300 -0.181 0.000 0.986 110 D CA 0.880 54.822 54.000 -0.096 0.000 0.899 110 D CB 0.014 40.699 40.800 -0.192 0.000 0.902 110 D HN 0.476 nan 8.370 nan 0.000 0.530 111 F N 1.292 121.293 119.950 0.086 0.000 2.725 111 F HA 0.032 4.560 4.527 0.001 0.000 0.303 111 F C 1.995 177.852 175.800 0.096 0.000 1.167 111 F CA -0.253 57.803 58.000 0.093 0.000 1.403 111 F CB -0.310 38.748 39.000 0.097 0.000 1.077 111 F HN -0.202 nan 8.300 nan 0.000 0.537 112 S N 0.511 116.316 115.700 0.176 0.000 2.445 112 S HA -0.427 4.043 4.470 0.001 0.000 0.293 112 S C 2.347 177.046 174.600 0.165 0.000 1.163 112 S CA 2.436 60.719 58.200 0.138 0.000 1.287 112 S CB -1.304 61.906 63.200 0.015 0.000 1.234 112 S HN 0.651 nan 8.310 nan 0.000 0.446 113 S N 3.124 118.904 115.700 0.132 0.000 2.427 113 S HA -0.336 4.134 4.470 0.001 0.000 0.231 113 S C 1.867 176.629 174.600 0.271 0.000 1.045 113 S CA 1.956 60.233 58.200 0.128 0.000 1.154 113 S CB -1.180 62.123 63.200 0.172 0.000 1.093 113 S HN 0.860 nan 8.310 nan 0.000 0.422 114 E N 1.239 121.685 120.200 0.410 0.000 2.333 114 E HA -0.084 4.267 4.350 0.001 0.000 0.198 114 E C 1.821 178.573 176.600 0.253 0.000 1.007 114 E CA 1.143 57.769 56.400 0.376 0.000 0.845 114 E CB -0.523 29.350 29.700 0.287 0.000 0.766 114 E HN 0.496 nan 8.360 nan 0.000 0.507 115 V N 1.439 121.492 119.914 0.232 0.000 2.255 115 V HA -0.215 3.906 4.120 0.001 0.000 0.243 115 V C 2.310 178.502 176.094 0.163 0.000 1.038 115 V CA 2.167 64.573 62.300 0.177 0.000 1.008 115 V CB -0.785 31.146 31.823 0.181 0.000 0.645 115 V HN 0.380 nan 8.190 nan 0.000 0.449 116 T N 0.433 115.091 114.554 0.173 0.000 2.946 116 T HA -0.125 4.225 4.350 0.001 0.000 0.271 116 T C 1.873 176.669 174.700 0.159 0.000 1.104 116 T CA 1.265 63.452 62.100 0.146 0.000 1.114 116 T CB -0.350 68.610 68.868 0.153 0.000 0.867 116 T HN 0.557 nan 8.240 nan 0.000 0.513 117 A N 1.838 124.787 122.820 0.215 0.000 1.825 117 A HA 0.237 4.558 4.320 0.001 0.000 0.214 117 A C 2.694 180.428 177.584 0.250 0.000 1.206 117 A CA 1.515 53.721 52.037 0.281 0.000 0.609 117 A CB -1.360 17.854 19.000 0.356 0.000 0.851 117 A HN 0.480 nan 8.150 nan 0.000 0.445 118 A N -0.719 122.230 122.820 0.216 0.000 2.084 118 A HA -0.061 4.260 4.320 0.001 0.000 0.221 118 A C 2.096 179.771 177.584 0.151 0.000 1.161 118 A CA 1.639 53.789 52.037 0.188 0.000 0.653 118 A CB -0.608 18.468 19.000 0.125 0.000 0.802 118 A HN 0.502 nan 8.150 nan 0.000 0.457 119 L N -1.789 119.510 121.223 0.127 0.000 2.102 119 L HA -0.015 4.325 4.340 0.001 0.000 0.202 119 L C 2.631 179.552 176.870 0.085 0.000 1.076 119 L CA 1.251 56.143 54.840 0.087 0.000 0.761 119 L CB -0.458 41.636 42.059 0.058 0.000 0.921 119 L HN 0.423 nan 8.230 nan 0.000 0.444 120 R N 0.732 121.283 120.500 0.086 0.000 2.200 120 R HA -0.144 4.196 4.340 0.001 0.000 0.234 120 R C 1.907 178.256 176.300 0.082 0.000 1.127 120 R CA 1.674 57.796 56.100 0.035 0.000 0.989 120 R CB -0.101 30.190 30.300 -0.016 0.000 0.869 120 R HN 0.420 nan 8.270 nan 0.000 0.459 121 V N -2.304 117.704 119.914 0.155 0.000 3.174 121 V HA 0.111 4.232 4.120 0.001 0.000 0.254 121 V C 1.098 177.271 176.094 0.132 0.000 1.120 121 V CA 0.593 63.005 62.300 0.187 0.000 1.114 121 V CB -0.317 31.629 31.823 0.204 0.000 0.756 121 V HN 0.357 nan 8.190 nan 0.000 0.467 122 T N -2.153 112.470 114.554 0.116 0.000 2.897 122 T HA 0.418 4.769 4.350 0.001 0.000 0.278 122 T C 0.317 175.061 174.700 0.074 0.000 0.981 122 T CA 0.123 62.274 62.100 0.085 0.000 0.973 122 T CB 1.816 70.732 68.868 0.079 0.000 1.092 122 T HN 0.260 nan 8.240 nan 0.000 0.543 123 D N -0.390 120.046 120.400 0.059 0.000 2.469 123 D HA 0.254 4.894 4.640 0.001 0.000 0.240 123 D C 0.953 177.290 176.300 0.062 0.000 1.087 123 D CA 0.234 54.272 54.000 0.063 0.000 0.876 123 D CB 0.488 41.318 40.800 0.049 0.000 1.160 123 D HN 0.777 nan 8.370 nan 0.000 0.497 124 G N -0.140 108.685 108.800 0.043 0.000 2.714 124 G HA2 0.695 4.655 3.960 0.001 0.000 0.292 124 G HA3 0.695 4.655 3.960 0.001 0.000 0.292 124 G C -1.516 173.395 174.900 0.017 0.000 1.308 124 G CA -0.471 44.645 45.100 0.026 0.000 0.964 124 G HN 0.172 nan 8.290 nan 0.000 0.484 125 A N -0.611 122.208 122.820 -0.001 0.000 2.566 125 A HA 0.604 4.925 4.320 0.001 0.000 0.297 125 A C -1.771 175.794 177.584 -0.031 0.000 1.059 125 A CA -0.531 51.500 52.037 -0.009 0.000 0.691 125 A CB 1.817 20.813 19.000 -0.007 0.000 1.282 125 A HN 1.388 nan 8.150 nan 0.000 0.401 126 L N 3.139 124.341 121.223 -0.034 0.000 2.297 126 L HA 0.534 4.874 4.340 0.001 0.000 0.277 126 L C -0.683 176.153 176.870 -0.057 0.000 1.040 126 L CA -0.232 54.574 54.840 -0.057 0.000 0.867 126 L CB 1.058 43.084 42.059 -0.055 0.000 1.244 126 L HN 0.446 nan 8.230 nan 0.000 0.433 127 V N 6.083 125.954 119.914 -0.071 0.000 2.390 127 V HA 0.073 4.194 4.120 0.001 0.000 0.260 127 V C 0.408 176.459 176.094 -0.071 0.000 1.043 127 V CA -0.351 61.914 62.300 -0.059 0.000 1.047 127 V CB 0.503 32.287 31.823 -0.066 0.000 1.066 127 V HN 0.449 nan 8.190 nan 0.000 0.481 128 V N 7.099 126.990 119.914 -0.038 0.000 2.313 128 V HA 0.168 4.288 4.120 0.001 0.000 0.252 128 V C 0.402 176.496 176.094 -0.001 0.000 1.112 128 V CA -0.003 62.272 62.300 -0.042 0.000 0.984 128 V CB 0.716 32.533 31.823 -0.011 0.000 1.157 128 V HN 0.633 nan 8.190 nan 0.000 0.493 129 V N 3.475 123.350 119.914 -0.066 0.000 3.134 129 V HA 0.420 4.541 4.120 0.001 0.000 0.313 129 V C -0.005 175.966 176.094 -0.204 0.000 1.069 129 V CA -0.705 61.550 62.300 -0.074 0.000 1.048 129 V CB 2.131 33.917 31.823 -0.061 0.000 1.119 129 V HN 0.808 nan 8.190 nan 0.000 0.461 130 D N -0.332 119.877 120.400 -0.320 0.000 2.217 130 D HA 0.354 4.995 4.640 0.001 0.000 0.248 130 D C 0.887 177.127 176.300 -0.101 0.000 1.008 130 D CA -0.171 53.613 54.000 -0.360 0.000 0.914 130 D CB 2.098 42.493 40.800 -0.674 0.000 1.182 130 D HN 0.532 nan 8.370 nan 0.000 0.451 131 T N 1.810 116.358 114.554 -0.010 0.000 2.770 131 T HA -0.054 4.296 4.350 0.001 0.000 0.263 131 T C 1.657 176.420 174.700 0.104 0.000 1.039 131 T CA 0.895 63.103 62.100 0.179 0.000 1.142 131 T CB -0.108 68.926 68.868 0.278 0.000 0.868 131 T HN 0.341 nan 8.240 nan 0.000 0.435 132 I N 1.206 121.797 120.570 0.035 0.000 2.188 132 I HA 0.005 4.176 4.170 0.001 0.000 0.237 132 I C 2.364 178.488 176.117 0.011 0.000 1.073 132 I CA 1.320 62.634 61.300 0.024 0.000 1.359 132 I CB -0.559 37.453 38.000 0.020 0.000 1.083 132 I HN 0.198 nan 8.210 nan 0.000 0.412 133 E N 0.674 120.867 120.200 -0.012 0.000 2.347 133 E HA 0.119 4.470 4.350 0.001 0.000 0.196 133 E C 1.404 178.013 176.600 0.014 0.000 1.008 133 E CA 0.602 57.008 56.400 0.009 0.000 0.852 133 E CB -0.202 29.520 29.700 0.036 0.000 0.783 133 E HN 0.531 nan 8.360 nan 0.000 0.505 134 G N 0.842 109.637 108.800 -0.009 0.000 2.528 134 G HA2 -0.323 3.637 3.960 0.001 0.000 0.262 134 G HA3 -0.323 3.637 3.960 0.001 0.000 0.262 134 G C -0.041 174.871 174.900 0.019 0.000 1.200 134 G CA -0.205 44.904 45.100 0.014 0.000 0.951 134 G HN 0.136 nan 8.290 nan 0.000 0.566 135 V N 1.743 121.682 119.914 0.041 0.000 2.408 135 V HA 0.415 4.535 4.120 0.001 0.000 0.267 135 V C 1.571 177.717 176.094 0.086 0.000 1.047 135 V CA -0.230 62.107 62.300 0.062 0.000 0.937 135 V CB -0.302 31.547 31.823 0.043 0.000 0.999 135 V HN 1.338 nan 8.190 nan 0.000 0.472 136 C N 4.473 123.855 119.300 0.136 0.000 2.563 136 C HA 0.509 4.970 4.460 0.001 0.000 0.358 136 C C 1.919 176.961 174.990 0.087 0.000 1.336 136 C CA -0.436 58.655 59.018 0.122 0.000 2.454 136 C CB 0.386 28.221 27.740 0.159 0.000 2.448 136 C HN 0.624 nan 8.230 nan 0.000 0.670 137 V N 1.283 121.239 119.914 0.070 0.000 2.252 137 V HA -0.269 3.851 4.120 0.001 0.000 0.249 137 V C 2.776 178.895 176.094 0.041 0.000 1.056 137 V CA 2.666 64.995 62.300 0.048 0.000 1.022 137 V CB -1.473 30.373 31.823 0.039 0.000 0.641 137 V HN 1.058 nan 8.190 nan 0.000 0.445 138 Q N 0.350 120.180 119.800 0.050 0.000 1.985 138 Q HA -0.255 4.085 4.340 0.001 0.000 0.207 138 Q C 2.209 178.225 176.000 0.027 0.000 0.996 138 Q CA 2.932 58.750 55.803 0.026 0.000 0.851 138 Q CB -0.534 28.202 28.738 -0.003 0.000 0.921 138 Q HN 0.613 nan 8.270 nan 0.000 0.418 139 T N 0.601 115.187 114.554 0.053 0.000 2.849 139 T HA -0.200 4.151 4.350 0.001 0.000 0.270 139 T C 1.483 176.201 174.700 0.030 0.000 1.066 139 T CA 1.523 63.653 62.100 0.050 0.000 1.130 139 T CB -0.225 68.700 68.868 0.095 0.000 0.864 139 T HN 0.479 nan 8.240 nan 0.000 0.481 140 E N 0.329 120.548 120.200 0.031 0.000 2.112 140 E HA -0.106 4.244 4.350 0.001 0.000 0.190 140 E C 2.059 178.644 176.600 -0.025 0.000 0.979 140 E CA 1.076 57.486 56.400 0.017 0.000 0.814 140 E CB 0.028 29.748 29.700 0.034 0.000 0.762 140 E HN 0.379 nan 8.360 nan 0.000 0.460 141 T N 0.470 115.009 114.554 -0.024 0.000 2.668 141 T HA -0.126 4.224 4.350 0.001 0.000 0.262 141 T C 1.925 176.588 174.700 -0.060 0.000 1.045 141 T CA 1.447 63.517 62.100 -0.049 0.000 1.152 141 T CB -0.340 68.529 68.868 0.003 0.000 0.864 141 T HN 0.029 nan 8.240 nan 0.000 0.419 142 V N 1.641 121.545 119.914 -0.017 0.000 2.527 142 V HA -0.168 3.952 4.120 0.001 0.000 0.255 142 V C 2.370 178.432 176.094 -0.053 0.000 1.081 142 V CA 1.275 63.566 62.300 -0.014 0.000 1.092 142 V CB -0.780 31.048 31.823 0.008 0.000 0.673 142 V HN 0.270 nan 8.190 nan 0.000 0.470 143 L N -0.094 121.094 121.223 -0.058 0.000 2.023 143 L HA -0.057 4.283 4.340 0.001 0.000 0.205 143 L C 2.581 179.384 176.870 -0.112 0.000 1.073 143 L CA 1.800 56.605 54.840 -0.059 0.000 0.745 143 L CB -0.707 41.339 42.059 -0.023 0.000 0.900 143 L HN 0.137 nan 8.230 nan 0.000 0.435 144 R N -1.026 119.347 120.500 -0.211 0.000 2.174 144 R HA -0.241 4.100 4.340 0.001 0.000 0.253 144 R C 2.210 178.321 176.300 -0.314 0.000 1.165 144 R CA 1.481 57.355 56.100 -0.377 0.000 0.984 144 R CB -0.245 29.663 30.300 -0.653 0.000 0.873 144 R HN 0.483 nan 8.270 nan 0.000 0.456 145 Q N -0.144 119.475 119.800 -0.302 0.000 1.941 145 Q HA -0.052 4.288 4.340 0.001 0.000 0.201 145 Q C 2.265 178.164 176.000 -0.168 0.000 0.982 145 Q CA 1.781 57.397 55.803 -0.313 0.000 0.839 145 Q CB -0.730 27.869 28.738 -0.232 0.000 0.904 145 Q HN 0.332 nan 8.270 nan 0.000 0.427 146 A N 1.096 123.859 122.820 -0.095 0.000 1.971 146 A HA -0.230 4.090 4.320 0.001 0.000 0.222 146 A C 2.294 179.853 177.584 -0.042 0.000 1.182 146 A CA 1.732 53.742 52.037 -0.045 0.000 0.649 146 A CB -0.952 18.031 19.000 -0.028 0.000 0.818 146 A HN 0.362 nan 8.150 nan 0.000 0.458 147 L N -1.125 120.063 121.223 -0.057 0.000 1.994 147 L HA -0.112 4.229 4.340 0.001 0.000 0.208 147 L C 2.889 179.734 176.870 -0.042 0.000 1.071 147 L CA 1.193 56.015 54.840 -0.031 0.000 0.745 147 L CB -1.036 41.028 42.059 0.008 0.000 0.892 147 L HN 0.475 nan 8.230 nan 0.000 0.431 148 G N -0.586 108.155 108.800 -0.098 0.000 2.462 148 G HA2 -0.215 3.746 3.960 0.001 0.000 0.220 148 G HA3 -0.215 3.746 3.960 0.001 0.000 0.220 148 G C 1.395 176.263 174.900 -0.053 0.000 1.121 148 G CA 0.481 45.522 45.100 -0.097 0.000 0.758 148 G HN 0.294 nan 8.290 nan 0.000 0.559 149 E N 0.033 120.207 120.200 -0.045 0.000 2.489 149 E HA 0.082 4.433 4.350 0.001 0.000 0.193 149 E C 0.747 177.375 176.600 0.046 0.000 1.057 149 E CA -0.195 56.201 56.400 -0.007 0.000 0.866 149 E CB 0.083 29.779 29.700 -0.007 0.000 0.916 149 E HN 0.424 nan 8.360 nan 0.000 0.500 150 R N 0.166 120.701 120.500 0.057 0.000 3.531 150 R HA -0.156 4.184 4.340 0.001 0.000 0.280 150 R C -0.368 176.028 176.300 0.160 0.000 1.130 150 R CA 0.330 56.508 56.100 0.129 0.000 0.757 150 R CB -2.238 28.238 30.300 0.294 0.000 1.218 150 R HN 0.150 nan 8.270 nan 0.000 0.454 151 I N 1.254 121.869 120.570 0.076 0.000 2.315 151 I HA 0.123 4.293 4.170 0.001 0.000 0.291 151 I C 0.684 176.819 176.117 0.030 0.000 1.006 151 I CA -0.894 60.445 61.300 0.064 0.000 1.265 151 I CB 1.284 39.306 38.000 0.036 0.000 1.387 151 I HN -0.038 nan 8.210 nan 0.000 0.475 152 K N 9.869 130.291 120.400 0.037 0.000 2.451 152 K HA 0.191 4.512 4.320 0.001 0.000 0.280 152 K C -2.428 174.155 176.600 -0.028 0.000 1.020 152 K CA -0.764 55.521 56.287 -0.003 0.000 1.008 152 K CB 0.494 33.002 32.500 0.013 0.000 0.917 152 K HN 0.204 nan 8.250 nan 0.000 0.478 153 P HA 0.226 nan 4.420 nan 0.000 0.299 153 P C -1.244 175.985 177.300 -0.118 0.000 1.323 153 P CA -0.687 62.366 63.100 -0.079 0.000 0.896 153 P CB 1.646 33.295 31.700 -0.084 0.000 1.081 154 V N 3.618 123.462 119.914 -0.117 0.000 2.487 154 V HA 0.246 4.367 4.120 0.001 0.000 0.298 154 V C 0.247 176.235 176.094 -0.177 0.000 1.028 154 V CA -0.791 61.416 62.300 -0.156 0.000 0.860 154 V CB 2.250 34.005 31.823 -0.114 0.000 0.991 154 V HN 0.282 nan 8.190 nan 0.000 0.427 155 V N 5.501 125.273 119.914 -0.238 0.000 2.481 155 V HA 0.509 4.629 4.120 0.001 0.000 0.286 155 V C -0.187 175.703 176.094 -0.339 0.000 1.042 155 V CA -0.417 61.727 62.300 -0.260 0.000 0.928 155 V CB 1.821 33.480 31.823 -0.274 0.000 0.986 155 V HN 0.581 nan 8.190 nan 0.000 0.462 156 V N 6.256 125.987 119.914 -0.305 0.000 2.445 156 V HA 0.386 4.507 4.120 0.001 0.000 0.283 156 V C -0.198 175.703 176.094 -0.322 0.000 1.014 156 V CA -0.264 61.822 62.300 -0.357 0.000 0.852 156 V CB 1.582 33.251 31.823 -0.257 0.000 1.021 156 V HN 0.705 nan 8.190 nan 0.000 0.435 157 I N 4.532 124.856 120.570 -0.410 0.000 2.329 157 I HA 0.197 4.367 4.170 0.001 0.000 0.295 157 I C 0.593 176.539 176.117 -0.285 0.000 1.109 157 I CA 0.222 61.347 61.300 -0.291 0.000 1.297 157 I CB 0.343 38.169 38.000 -0.290 0.000 1.433 157 I HN 0.591 nan 8.210 nan 0.000 0.509 158 N N 5.399 123.961 118.700 -0.229 0.000 2.413 158 N HA 0.212 4.953 4.740 0.001 0.000 0.266 158 N C -0.245 175.157 175.510 -0.180 0.000 1.238 158 N CA -0.346 52.567 53.050 -0.227 0.000 0.972 158 N CB 0.634 39.017 38.487 -0.173 0.000 1.210 158 N HN 0.352 nan 8.380 nan 0.000 0.547 159 K N -0.504 119.786 120.400 -0.185 0.000 3.150 159 K HA -0.138 4.183 4.320 0.001 0.000 0.267 159 K C 0.264 176.837 176.600 -0.046 0.000 1.028 159 K CA 0.223 56.440 56.287 -0.116 0.000 0.753 159 K CB -1.951 30.503 32.500 -0.077 0.000 1.288 159 K HN 0.266 nan 8.250 nan 0.000 0.473 160 V N 0.078 119.953 119.914 -0.065 0.000 2.719 160 V HA -0.220 3.901 4.120 0.001 0.000 0.252 160 V C 2.192 178.405 176.094 0.199 0.000 1.065 160 V CA 2.183 64.570 62.300 0.146 0.000 1.086 160 V CB -0.355 31.608 31.823 0.233 0.000 0.700 160 V HN 0.642 nan 8.190 nan 0.000 0.467 161 D N 0.860 121.338 120.400 0.130 0.000 2.182 161 D HA -0.291 4.350 4.640 0.001 0.000 0.201 161 D C 2.126 178.517 176.300 0.152 0.000 0.986 161 D CA 1.381 55.494 54.000 0.188 0.000 0.847 161 D CB -0.420 40.254 40.800 -0.211 0.000 0.942 161 D HN 0.372 nan 8.370 nan 0.000 0.467 162 R N 0.185 120.741 120.500 0.093 0.000 2.189 162 R HA 0.021 4.362 4.340 0.001 0.000 0.223 162 R C 1.946 178.303 176.300 0.094 0.000 1.092 162 R CA 1.100 57.253 56.100 0.088 0.000 0.989 162 R CB -0.185 30.149 30.300 0.057 0.000 0.876 162 R HN 0.312 nan 8.270 nan 0.000 0.457 163 A N 0.426 123.314 122.820 0.114 0.000 2.021 163 A HA 0.060 4.381 4.320 0.001 0.000 0.216 163 A C 1.889 179.531 177.584 0.096 0.000 1.163 163 A CA 0.472 52.574 52.037 0.108 0.000 0.676 163 A CB -0.023 19.061 19.000 0.140 0.000 0.818 163 A HN 0.266 nan 8.150 nan 0.000 0.453 164 L N -1.343 119.935 121.223 0.092 0.000 2.115 164 L HA 0.014 4.355 4.340 0.001 0.000 0.200 164 L C 2.239 179.151 176.870 0.070 0.000 1.094 164 L CA 0.307 55.160 54.840 0.021 0.000 0.769 164 L CB -0.873 41.154 42.059 -0.054 0.000 0.931 164 L HN 0.202 nan 8.230 nan 0.000 0.455 165 L N 0.193 121.499 121.223 0.137 0.000 2.043 165 L HA -0.220 4.120 4.340 0.001 0.000 0.212 165 L C 2.418 179.336 176.870 0.080 0.000 1.075 165 L CA 1.782 56.692 54.840 0.116 0.000 0.752 165 L CB -0.803 41.344 42.059 0.147 0.000 0.891 165 L HN 0.273 nan 8.230 nan 0.000 0.432 166 E N -0.838 119.410 120.200 0.080 0.000 2.025 166 E HA -0.095 4.255 4.350 0.001 0.000 0.198 166 E C 2.000 178.633 176.600 0.056 0.000 0.955 166 E CA 0.514 56.952 56.400 0.064 0.000 0.862 166 E CB -0.351 29.386 29.700 0.063 0.000 0.837 166 E HN 0.152 nan 8.360 nan 0.000 0.488 167 L N 1.125 122.382 121.223 0.057 0.000 2.349 167 L HA -0.159 4.181 4.340 0.001 0.000 0.220 167 L C 0.468 177.373 176.870 0.058 0.000 1.130 167 L CA 1.155 56.026 54.840 0.053 0.000 0.791 167 L CB -0.940 41.151 42.059 0.053 0.000 0.918 167 L HN 0.225 nan 8.230 nan 0.000 0.444 168 Q N -1.067 118.770 119.800 0.061 0.000 2.439 168 Q HA -0.200 4.140 4.340 0.001 0.000 0.325 168 Q C -0.080 175.979 176.000 0.099 0.000 1.372 168 Q CA 0.328 56.169 55.803 0.065 0.000 0.909 168 Q CB -1.817 26.954 28.738 0.055 0.000 1.167 168 Q HN 0.287 nan 8.270 nan 0.000 0.418 169 V N 1.047 121.034 119.914 0.122 0.000 2.686 169 V HA 0.329 4.449 4.120 0.001 0.000 0.295 169 V C 0.942 177.196 176.094 0.266 0.000 1.055 169 V CA 0.510 62.898 62.300 0.147 0.000 1.050 169 V CB 1.546 33.438 31.823 0.114 0.000 0.984 169 V HN 0.590 nan 8.190 nan 0.000 0.482 170 S N 5.767 121.564 115.700 0.160 0.000 2.617 170 S HA 0.225 4.695 4.470 0.001 0.000 0.255 170 S C 0.952 175.525 174.600 -0.045 0.000 1.318 170 S CA -0.026 58.230 58.200 0.093 0.000 0.978 170 S CB 0.465 63.668 63.200 0.005 0.000 0.961 170 S HN 0.774 nan 8.310 nan 0.000 0.582 171 K N 0.294 120.482 120.400 -0.354 0.000 2.025 171 K HA -0.101 4.220 4.320 0.001 0.000 0.207 171 K C 2.281 178.799 176.600 -0.137 0.000 1.049 171 K CA 1.476 57.482 56.287 -0.469 0.000 0.933 171 K CB -0.309 31.835 32.500 -0.595 0.000 0.714 171 K HN 0.721 nan 8.250 nan 0.000 0.438 172 E N 1.644 121.784 120.200 -0.100 0.000 2.072 172 E HA -0.184 4.167 4.350 0.001 0.000 0.191 172 E C 1.400 178.019 176.600 0.031 0.000 0.985 172 E CA 1.662 58.051 56.400 -0.018 0.000 0.801 172 E CB -0.130 29.542 29.700 -0.047 0.000 0.750 172 E HN 0.149 nan 8.360 nan 0.000 0.452 173 D N -0.059 120.338 120.400 -0.006 0.000 2.117 173 D HA -0.144 4.497 4.640 0.001 0.000 0.197 173 D C 1.912 178.175 176.300 -0.060 0.000 0.987 173 D CA 0.932 54.923 54.000 -0.014 0.000 0.829 173 D CB -0.342 40.457 40.800 -0.003 0.000 0.961 173 D HN 0.235 nan 8.370 nan 0.000 0.460 174 L N 0.107 121.296 121.223 -0.057 0.000 2.201 174 L HA -0.137 4.204 4.340 0.001 0.000 0.212 174 L C 2.095 178.713 176.870 -0.419 0.000 1.105 174 L CA 1.326 56.053 54.840 -0.190 0.000 0.775 174 L CB -0.754 41.306 42.059 0.002 0.000 0.913 174 L HN 0.029 nan 8.230 nan 0.000 0.440 175 Y N -0.390 119.755 120.300 -0.257 0.000 2.220 175 Y HA -0.184 4.367 4.550 0.001 0.000 0.291 175 Y C 2.396 178.141 175.900 -0.259 0.000 1.129 175 Y CA 1.631 59.586 58.100 -0.242 0.000 1.161 175 Y CB -0.112 38.255 38.460 -0.155 0.000 0.997 175 Y HN 0.262 nan 8.280 nan 0.000 0.522 176 Q N -0.202 119.462 119.800 -0.227 0.000 2.170 176 Q HA -0.140 4.200 4.340 0.001 0.000 0.203 176 Q C 2.146 177.999 176.000 -0.246 0.000 0.976 176 Q CA 1.838 57.508 55.803 -0.221 0.000 0.858 176 Q CB -0.734 27.971 28.738 -0.054 0.000 0.907 176 Q HN 0.509 nan 8.270 nan 0.000 0.433 177 T N 1.271 115.645 114.554 -0.300 0.000 2.652 177 T HA -0.137 4.214 4.350 0.001 0.000 0.267 177 T C 1.485 176.123 174.700 -0.104 0.000 1.039 177 T CA 1.469 63.417 62.100 -0.253 0.000 1.153 177 T CB -0.298 68.332 68.868 -0.397 0.000 0.863 177 T HN 0.180 nan 8.240 nan 0.000 0.428 178 F N 1.526 121.469 119.950 -0.011 0.000 2.325 178 F HA 0.262 4.790 4.527 0.001 0.000 0.299 178 F C 2.581 178.434 175.800 0.089 0.000 1.090 178 F CA -0.231 57.818 58.000 0.081 0.000 1.392 178 F CB -1.383 37.737 39.000 0.199 0.000 1.053 178 F HN 0.147 nan 8.300 nan 0.000 0.521 179 A N 0.274 123.142 122.820 0.080 0.000 1.969 179 A HA -0.129 4.192 4.320 0.001 0.000 0.218 179 A C 2.330 179.961 177.584 0.078 0.000 1.169 179 A CA 1.222 53.300 52.037 0.069 0.000 0.635 179 A CB -0.506 18.340 19.000 -0.256 0.000 0.810 179 A HN 0.321 nan 8.150 nan 0.000 0.445 180 R N -1.532 118.990 120.500 0.036 0.000 2.173 180 R HA 0.037 4.377 4.340 0.001 0.000 0.208 180 R C 2.016 178.351 176.300 0.058 0.000 1.035 180 R CA 1.172 57.294 56.100 0.038 0.000 1.004 180 R CB -0.308 29.999 30.300 0.013 0.000 0.917 180 R HN 0.447 nan 8.270 nan 0.000 0.462 181 T N 0.795 115.404 114.554 0.092 0.000 2.668 181 T HA -0.078 4.272 4.350 0.001 0.000 0.262 181 T C 1.836 176.572 174.700 0.060 0.000 1.045 181 T CA 1.259 63.415 62.100 0.093 0.000 1.152 181 T CB -0.083 68.884 68.868 0.165 0.000 0.864 181 T HN -0.044 nan 8.240 nan 0.000 0.419 182 V N 1.690 121.649 119.914 0.075 0.000 3.078 182 V HA -0.069 4.052 4.120 0.001 0.000 0.265 182 V C 2.355 178.451 176.094 0.003 0.000 1.122 182 V CA 1.294 63.596 62.300 0.003 0.000 1.141 182 V CB -0.612 31.195 31.823 -0.026 0.000 0.735 182 V HN 0.497 nan 8.190 nan 0.000 0.498 183 E N -0.163 120.063 120.200 0.043 0.000 2.140 183 E HA -0.071 4.279 4.350 0.001 0.000 0.191 183 E C 2.369 178.978 176.600 0.015 0.000 0.973 183 E CA 0.948 57.369 56.400 0.036 0.000 0.829 183 E CB 0.042 29.776 29.700 0.056 0.000 0.781 183 E HN 0.529 nan 8.360 nan 0.000 0.466 184 S N 0.528 116.240 115.700 0.020 0.000 2.423 184 S HA -0.093 4.378 4.470 0.001 0.000 0.231 184 S C 2.077 176.682 174.600 0.008 0.000 1.014 184 S CA 0.582 58.793 58.200 0.018 0.000 0.965 184 S CB 0.068 63.284 63.200 0.027 0.000 0.785 184 S HN 0.043 nan 8.310 nan 0.000 0.495 185 V N 3.117 123.025 119.914 -0.010 0.000 2.331 185 V HA -0.125 3.995 4.120 0.001 0.000 0.242 185 V C 2.322 178.385 176.094 -0.052 0.000 1.034 185 V CA 1.740 64.021 62.300 -0.031 0.000 1.027 185 V CB -0.952 30.833 31.823 -0.064 0.000 0.667 185 V HN 0.615 nan 8.190 nan 0.000 0.457 186 N N 1.244 119.898 118.700 -0.076 0.000 2.223 186 N HA -0.166 4.574 4.740 0.001 0.000 0.185 186 N C 1.499 176.963 175.510 -0.075 0.000 1.016 186 N CA 1.980 54.969 53.050 -0.101 0.000 0.863 186 N CB -0.837 37.581 38.487 -0.114 0.000 0.983 186 N HN 0.252 nan 8.380 nan 0.000 0.429 187 V N 0.993 120.877 119.914 -0.050 0.000 2.252 187 V HA -0.233 3.888 4.120 0.001 0.000 0.249 187 V C 2.433 178.467 176.094 -0.099 0.000 1.056 187 V CA 1.517 63.781 62.300 -0.060 0.000 1.022 187 V CB -0.564 31.239 31.823 -0.033 0.000 0.641 187 V HN 0.336 nan 8.190 nan 0.000 0.445 188 I N -0.238 120.307 120.570 -0.042 0.000 2.208 188 I HA -0.196 3.974 4.170 0.001 0.000 0.245 188 I C 2.469 178.571 176.117 -0.024 0.000 1.097 188 I CA 1.515 62.826 61.300 0.019 0.000 1.363 188 I CB -1.249 36.835 38.000 0.141 0.000 1.051 188 I HN 0.174 nan 8.210 nan 0.000 0.413 189 V N 1.585 121.474 119.914 -0.042 0.000 2.220 189 V HA -0.297 3.824 4.120 0.001 0.000 0.246 189 V C 2.726 178.760 176.094 -0.101 0.000 1.049 189 V CA 2.430 64.692 62.300 -0.064 0.000 1.003 189 V CB -1.196 30.560 31.823 -0.111 0.000 0.634 189 V HN 0.577 nan 8.190 nan 0.000 0.444 190 S N -0.760 114.870 115.700 -0.117 0.000 2.419 190 S HA -0.237 4.234 4.470 0.001 0.000 0.235 190 S C 1.791 176.293 174.600 -0.164 0.000 1.019 190 S CA 2.022 60.153 58.200 -0.115 0.000 0.982 190 S CB -0.808 62.339 63.200 -0.089 0.000 0.789 190 S HN 0.633 nan 8.310 nan 0.000 0.490 191 T N 1.447 115.838 114.554 -0.272 0.000 2.623 191 T HA 0.021 4.372 4.350 0.001 0.000 0.254 191 T C 1.007 175.441 174.700 -0.444 0.000 1.075 191 T CA 1.418 63.239 62.100 -0.465 0.000 1.177 191 T CB -0.618 67.739 68.868 -0.852 0.000 0.869 191 T HN 0.576 nan 8.240 nan 0.000 0.403 192 Y N 1.642 121.911 120.300 -0.052 0.000 2.477 192 Y HA 0.561 5.111 4.550 0.001 0.000 0.303 192 Y C 0.948 176.809 175.900 -0.065 0.000 1.202 192 Y CA -1.088 56.976 58.100 -0.060 0.000 1.282 192 Y CB -0.905 37.514 38.460 -0.069 0.000 1.071 192 Y HN 0.126 nan 8.280 nan 0.000 0.510 193 A N 0.095 122.908 122.820 -0.011 0.000 2.289 193 A HA 0.268 4.588 4.320 0.001 0.000 0.298 193 A C -0.249 177.311 177.584 -0.040 0.000 1.208 193 A CA -0.684 51.337 52.037 -0.027 0.000 0.845 193 A CB 0.142 19.108 19.000 -0.058 0.000 1.125 193 A HN 0.114 nan 8.150 nan 0.000 0.517 194 D N 1.639 122.015 120.400 -0.040 0.000 2.472 194 D HA 0.041 4.682 4.640 0.001 0.000 0.237 194 D C 1.311 177.573 176.300 -0.062 0.000 1.141 194 D CA 0.372 54.345 54.000 -0.046 0.000 0.875 194 D CB 0.772 41.541 40.800 -0.051 0.000 1.192 194 D HN 0.677 nan 8.370 nan 0.000 0.450 195 E N 1.233 121.403 120.200 -0.051 0.000 2.047 195 E HA -0.124 4.226 4.350 0.001 0.000 0.191 195 E C 2.036 178.599 176.600 -0.063 0.000 0.987 195 E CA 0.701 57.071 56.400 -0.050 0.000 0.799 195 E CB -0.017 29.662 29.700 -0.035 0.000 0.752 195 E HN 0.251 nan 8.360 nan 0.000 0.449 196 V N 2.090 121.963 119.914 -0.067 0.000 2.324 196 V HA -0.266 3.855 4.120 0.001 0.000 0.250 196 V C 2.354 178.361 176.094 -0.145 0.000 1.060 196 V CA 1.565 63.814 62.300 -0.084 0.000 1.042 196 V CB -0.617 31.163 31.823 -0.070 0.000 0.650 196 V HN 0.285 nan 8.190 nan 0.000 0.450 197 L N 0.051 121.159 121.223 -0.192 0.000 2.353 197 L HA 0.117 4.457 4.340 0.001 0.000 0.220 197 L C 1.386 178.160 176.870 -0.159 0.000 1.133 197 L CA 0.818 55.501 54.840 -0.262 0.000 0.798 197 L CB -1.186 40.723 42.059 -0.250 0.000 0.922 197 L HN 0.637 nan 8.230 nan 0.000 0.445 198 G N 0.564 109.301 108.800 -0.106 0.000 2.888 198 G HA2 -0.327 3.634 3.960 0.001 0.000 0.441 198 G HA3 -0.327 3.634 3.960 0.001 0.000 0.441 198 G C -0.407 174.458 174.900 -0.057 0.000 1.461 198 G CA -0.172 44.888 45.100 -0.066 0.000 0.897 198 G HN 0.374 nan 8.290 nan 0.000 0.547 199 D N -1.241 119.143 120.400 -0.027 0.000 2.487 199 D HA 0.246 4.887 4.640 0.001 0.000 0.243 199 D C 0.984 177.264 176.300 -0.034 0.000 1.154 199 D CA 0.993 54.984 54.000 -0.015 0.000 0.876 199 D CB 1.310 42.139 40.800 0.048 0.000 1.161 199 D HN 1.167 nan 8.370 nan 0.000 0.478 200 V N 3.815 123.679 119.914 -0.084 0.000 3.253 200 V HA 0.144 4.265 4.120 0.001 0.000 0.320 200 V C 0.297 176.260 176.094 -0.217 0.000 1.442 200 V CA -0.150 62.080 62.300 -0.118 0.000 1.097 200 V CB -0.472 31.287 31.823 -0.106 0.000 1.008 200 V HN 0.613 nan 8.190 nan 0.000 0.463 201 Q N 1.308 120.933 119.800 -0.292 0.000 2.304 201 Q HA 0.127 4.468 4.340 0.001 0.000 0.301 201 Q C 0.070 175.554 176.000 -0.860 0.000 1.063 201 Q CA 0.533 56.021 55.803 -0.526 0.000 0.947 201 Q CB 1.280 29.683 28.738 -0.558 0.000 1.201 201 Q HN 0.595 nan 8.270 nan 0.000 0.389 202 V N 1.499 121.028 119.914 -0.642 0.000 2.508 202 V HA 0.216 4.337 4.120 0.001 0.000 0.281 202 V C -0.915 174.781 176.094 -0.663 0.000 1.041 202 V CA -0.411 61.542 62.300 -0.577 0.000 1.016 202 V CB -0.155 31.439 31.823 -0.383 0.000 0.984 202 V HN 0.477 nan 8.190 nan 0.000 0.478 203 Y N 5.049 125.194 120.300 -0.258 0.000 2.328 203 Y HA 0.480 5.030 4.550 0.001 0.000 0.336 203 Y C -1.863 173.819 175.900 -0.364 0.000 0.960 203 Y CA -2.464 55.468 58.100 -0.279 0.000 1.134 203 Y CB 2.015 40.366 38.460 -0.182 0.000 1.166 203 Y HN 0.416 nan 8.280 nan 0.000 0.464 204 P HA -0.199 nan 4.420 nan 0.000 0.215 204 P C 1.231 178.423 177.300 -0.181 0.000 1.153 204 P CA 2.289 65.118 63.100 -0.452 0.000 0.853 204 P CB 0.305 31.354 31.700 -1.084 0.000 0.788 205 A N -0.505 122.183 122.820 -0.220 0.000 2.225 205 A HA -0.135 4.186 4.320 0.001 0.000 0.215 205 A C 1.837 179.467 177.584 0.077 0.000 1.164 205 A CA 1.152 53.230 52.037 0.068 0.000 0.710 205 A CB -0.879 18.209 19.000 0.146 0.000 0.780 205 A HN 0.169 nan 8.150 nan 0.000 0.473 206 R N -2.012 118.513 120.500 0.043 0.000 2.437 206 R HA 0.282 4.622 4.340 0.001 0.000 0.257 206 R C 1.101 177.465 176.300 0.105 0.000 0.927 206 R CA 0.480 56.624 56.100 0.074 0.000 1.078 206 R CB 0.354 30.704 30.300 0.083 0.000 1.161 206 R HN 0.594 nan 8.270 nan 0.000 0.529 207 G N 1.369 110.213 108.800 0.073 0.000 2.157 207 G HA2 -0.299 3.662 3.960 0.001 0.000 0.248 207 G HA3 -0.299 3.662 3.960 0.001 0.000 0.248 207 G C 0.740 175.652 174.900 0.020 0.000 0.979 207 G CA 0.731 45.914 45.100 0.139 0.000 0.650 207 G HN 0.400 nan 8.290 nan 0.000 0.529 208 T N -2.260 112.115 114.554 -0.299 0.000 3.186 208 T HA 0.577 4.928 4.350 0.001 0.000 0.257 208 T C 0.191 174.667 174.700 -0.373 0.000 1.029 208 T CA 0.328 62.131 62.100 -0.495 0.000 0.916 208 T CB 1.100 69.583 68.868 -0.641 0.000 1.041 208 T HN 0.874 nan 8.240 nan 0.000 0.562 209 V N 1.278 120.970 119.914 -0.370 0.000 2.559 209 V HA 0.750 4.870 4.120 0.001 0.000 0.289 209 V C -0.109 175.419 176.094 -0.944 0.000 1.036 209 V CA -1.158 60.793 62.300 -0.582 0.000 0.887 209 V CB 0.961 32.453 31.823 -0.553 0.000 1.022 209 V HN 0.627 nan 8.190 nan 0.000 0.442 210 A N 4.890 127.100 122.820 -1.018 0.000 2.288 210 A HA 1.065 5.386 4.320 0.001 0.000 0.328 210 A C -1.078 175.520 177.584 -1.644 0.000 1.123 210 A CA -0.470 50.892 52.037 -1.126 0.000 0.861 210 A CB 1.198 19.890 19.000 -0.514 0.000 1.272 210 A HN 0.703 nan 8.150 nan 0.000 0.490 211 F N -0.970 118.521 119.950 -0.766 0.000 2.608 211 F HA 0.745 5.273 4.527 0.001 0.000 0.309 211 F C 0.511 175.824 175.800 -0.813 0.000 1.103 211 F CA -0.022 57.465 58.000 -0.854 0.000 0.954 211 F CB 2.254 40.627 39.000 -1.045 0.000 1.267 211 F HN 1.072 nan 8.300 nan 0.000 0.444 212 G N 0.234 108.679 108.800 -0.591 0.000 2.321 212 G HA2 0.446 4.407 3.960 0.001 0.000 0.296 212 G HA3 0.446 4.407 3.960 0.001 0.000 0.296 212 G C -2.106 172.192 174.900 -1.004 0.000 1.287 212 G CA -0.733 43.703 45.100 -1.107 0.000 0.846 212 G HN 0.745 nan 8.290 nan 0.000 0.508 213 S N -1.319 113.619 115.700 -1.271 0.000 2.532 213 S HA 0.616 5.087 4.470 0.001 0.000 0.299 213 S C 1.180 175.573 174.600 -0.344 0.000 1.105 213 S CA 0.669 58.464 58.200 -0.674 0.000 1.018 213 S CB 1.344 64.165 63.200 -0.631 0.000 1.021 213 S HN 1.719 nan 8.310 nan 0.000 0.483 214 G N 3.221 111.923 108.800 -0.164 0.000 2.453 214 G HA2 -0.015 3.946 3.960 0.001 0.000 0.215 214 G HA3 -0.015 3.946 3.960 0.001 0.000 0.215 214 G C 1.194 176.125 174.900 0.051 0.000 1.147 214 G CA 0.657 45.728 45.100 -0.048 0.000 0.802 214 G HN 0.644 nan 8.290 nan 0.000 0.535 215 L N 0.636 121.920 121.223 0.101 0.000 1.989 215 L HA -0.068 4.272 4.340 0.001 0.000 0.211 215 L C 2.471 179.540 176.870 0.331 0.000 1.071 215 L CA 2.070 57.044 54.840 0.223 0.000 0.749 215 L CB -0.752 41.493 42.059 0.311 0.000 0.890 215 L HN 0.264 nan 8.230 nan 0.000 0.431 216 H N 0.126 119.280 119.070 0.140 0.000 2.502 216 H HA 0.349 4.905 4.556 0.001 0.000 0.283 216 H C 1.525 177.013 175.328 0.267 0.000 1.015 216 H CA 0.136 56.331 56.048 0.246 0.000 1.298 216 H CB -0.430 29.617 29.762 0.475 0.000 1.411 216 H HN 0.490 nan 8.280 nan 0.000 0.556 217 G N -0.222 108.762 108.800 0.306 0.000 2.204 217 G HA2 -0.179 3.781 3.960 0.001 0.000 0.244 217 G HA3 -0.179 3.781 3.960 0.001 0.000 0.244 217 G C -0.141 174.952 174.900 0.320 0.000 1.062 217 G CA 0.247 45.484 45.100 0.229 0.000 0.798 217 G HN 0.502 nan 8.290 nan 0.000 0.496 218 W N -1.146 120.259 121.300 0.174 0.000 2.950 218 W HA 0.855 5.515 4.660 0.001 0.000 0.340 218 W C -0.363 176.245 176.519 0.147 0.000 1.139 218 W CA -1.504 55.950 57.345 0.182 0.000 1.188 218 W CB 1.574 31.207 29.460 0.288 0.000 1.426 218 W HN 1.211 nan 8.180 nan 0.000 0.531 219 A N 3.151 126.180 122.820 0.348 0.000 2.594 219 A HA 0.783 5.103 4.320 0.001 0.000 0.296 219 A C -2.096 175.657 177.584 0.283 0.000 1.056 219 A CA -0.738 51.358 52.037 0.098 0.000 0.693 219 A CB 1.034 19.967 19.000 -0.112 0.000 1.278 219 A HN 1.089 nan 8.150 nan 0.000 0.408 220 F N -0.399 119.695 119.950 0.240 0.000 2.626 220 F HA 0.900 5.428 4.527 0.001 0.000 0.311 220 F C -0.110 175.835 175.800 0.242 0.000 1.088 220 F CA -0.290 57.827 58.000 0.195 0.000 0.949 220 F CB 1.585 40.759 39.000 0.291 0.000 1.322 220 F HN 0.796 nan 8.300 nan 0.000 0.461 221 T N -0.273 114.497 114.554 0.359 0.000 2.912 221 T HA 0.500 4.851 4.350 0.001 0.000 0.288 221 T C 0.828 175.857 174.700 0.549 0.000 1.030 221 T CA -0.754 61.519 62.100 0.288 0.000 1.020 221 T CB 1.501 70.424 68.868 0.092 0.000 1.056 221 T HN 0.781 nan 8.240 nan 0.000 0.480 222 I N 0.735 121.668 120.570 0.605 0.000 2.208 222 I HA -0.144 4.026 4.170 0.001 0.000 0.245 222 I C 2.864 179.222 176.117 0.401 0.000 1.097 222 I CA 1.374 63.050 61.300 0.626 0.000 1.363 222 I CB -0.323 38.014 38.000 0.562 0.000 1.051 222 I HN 0.746 nan 8.210 nan 0.000 0.413 223 R N 0.901 121.557 120.500 0.261 0.000 2.341 223 R HA -0.167 4.173 4.340 0.001 0.000 0.213 223 R C 2.005 178.363 176.300 0.097 0.000 1.082 223 R CA 0.995 57.191 56.100 0.160 0.000 1.017 223 R CB 0.053 30.420 30.300 0.112 0.000 0.860 223 R HN 0.520 nan 8.270 nan 0.000 0.473 224 Q N -1.058 118.792 119.800 0.083 0.000 2.134 224 Q HA -0.038 4.303 4.340 0.001 0.000 0.195 224 Q C 1.048 176.957 176.000 -0.152 0.000 0.958 224 Q CA 0.935 56.682 55.803 -0.093 0.000 0.840 224 Q CB 0.167 28.775 28.738 -0.216 0.000 0.918 224 Q HN 0.307 nan 8.270 nan 0.000 0.467 225 F N -0.016 119.968 119.950 0.056 0.000 2.811 225 F HA 0.123 4.651 4.527 0.001 0.000 0.301 225 F C 1.742 177.576 175.800 0.056 0.000 1.151 225 F CA 0.410 58.400 58.000 -0.017 0.000 1.412 225 F CB -0.028 39.007 39.000 0.058 0.000 1.113 225 F HN 0.048 nan 8.300 nan 0.000 0.579 226 A N -1.053 121.903 122.820 0.227 0.000 2.095 226 A HA 0.014 4.334 4.320 0.001 0.000 0.212 226 A C 2.056 179.686 177.584 0.075 0.000 1.162 226 A CA 1.205 53.349 52.037 0.179 0.000 0.753 226 A CB -0.710 18.391 19.000 0.168 0.000 0.840 226 A HN 0.231 nan 8.150 nan 0.000 0.468 227 T N -0.652 113.915 114.554 0.021 0.000 3.081 227 T HA 0.059 4.409 4.350 0.001 0.000 0.255 227 T C 1.868 176.525 174.700 -0.071 0.000 1.113 227 T CA 0.717 62.802 62.100 -0.025 0.000 1.082 227 T CB 0.027 68.870 68.868 -0.042 0.000 0.939 227 T HN 0.456 nan 8.240 nan 0.000 0.506 228 R N -0.197 120.233 120.500 -0.116 0.000 2.087 228 R HA 0.158 4.499 4.340 0.001 0.000 0.216 228 R C 1.417 177.523 176.300 -0.324 0.000 1.114 228 R CA 0.702 56.659 56.100 -0.239 0.000 1.002 228 R CB -0.126 29.977 30.300 -0.327 0.000 0.903 228 R HN 0.307 nan 8.270 nan 0.000 0.445 229 Y N 0.625 120.823 120.300 -0.171 0.000 2.529 229 Y HA 0.171 4.721 4.550 0.001 0.000 0.290 229 Y C 1.994 177.722 175.900 -0.287 0.000 1.177 229 Y CA -0.010 57.824 58.100 -0.444 0.000 1.305 229 Y CB -0.270 37.929 38.460 -0.436 0.000 1.047 229 Y HN 0.134 nan 8.280 nan 0.000 0.522 230 A N 0.146 122.962 122.820 -0.007 0.000 1.898 230 A HA -0.153 4.168 4.320 0.001 0.000 0.216 230 A C 2.216 179.804 177.584 0.007 0.000 1.181 230 A CA 1.464 53.514 52.037 0.021 0.000 0.620 230 A CB -0.210 18.797 19.000 0.011 0.000 0.819 230 A HN 0.332 nan 8.150 nan 0.000 0.442 231 K N -0.250 120.125 120.400 -0.041 0.000 1.992 231 K HA -0.026 4.295 4.320 0.001 0.000 0.210 231 K C 1.983 178.566 176.600 -0.029 0.000 1.036 231 K CA 1.247 57.516 56.287 -0.029 0.000 0.946 231 K CB -0.276 32.196 32.500 -0.046 0.000 0.742 231 K HN 0.249 nan 8.250 nan 0.000 0.442 232 K N 0.002 120.332 120.400 -0.117 0.000 2.259 232 K HA -0.187 4.134 4.320 0.001 0.000 0.206 232 K C 1.756 178.388 176.600 0.054 0.000 1.044 232 K CA 1.548 57.764 56.287 -0.119 0.000 0.931 232 K CB -0.153 32.172 32.500 -0.292 0.000 0.726 232 K HN 0.101 nan 8.250 nan 0.000 0.467 233 F N -1.027 118.945 119.950 0.036 0.000 2.678 233 F HA 0.236 4.764 4.527 0.001 0.000 0.291 233 F C 1.342 177.157 175.800 0.026 0.000 1.123 233 F CA 0.212 58.221 58.000 0.014 0.000 1.395 233 F CB 0.065 39.037 39.000 -0.047 0.000 1.121 233 F HN 0.101 nan 8.300 nan 0.000 0.592 234 G N 1.593 110.502 108.800 0.182 0.000 2.291 234 G HA2 -0.115 3.845 3.960 0.001 0.000 0.271 234 G HA3 -0.115 3.845 3.960 0.001 0.000 0.271 234 G C -0.576 174.373 174.900 0.082 0.000 1.099 234 G CA 0.142 45.307 45.100 0.109 0.000 0.919 234 G HN 0.194 nan 8.290 nan 0.000 0.496 235 V N 0.201 120.157 119.914 0.069 0.000 2.876 235 V HA 0.541 4.662 4.120 0.001 0.000 0.312 235 V C 0.085 176.185 176.094 0.010 0.000 1.085 235 V CA -0.441 61.872 62.300 0.022 0.000 0.945 235 V CB 2.184 33.996 31.823 -0.019 0.000 1.017 235 V HN 0.651 nan 8.190 nan 0.000 0.428 236 D N 2.287 122.684 120.400 -0.005 0.000 2.417 236 D HA 0.063 4.703 4.640 0.001 0.000 0.250 236 D C 1.115 177.413 176.300 -0.004 0.000 1.166 236 D CA -0.283 53.715 54.000 -0.003 0.000 0.881 236 D CB 0.648 41.445 40.800 -0.006 0.000 1.164 236 D HN 0.700 nan 8.370 nan 0.000 0.467 237 K N 2.250 122.655 120.400 0.009 0.000 2.362 237 K HA -0.289 4.031 4.320 0.001 0.000 0.202 237 K C 1.676 178.289 176.600 0.023 0.000 1.045 237 K CA 1.111 57.411 56.287 0.022 0.000 0.936 237 K CB -0.227 32.290 32.500 0.027 0.000 0.747 237 K HN 0.442 nan 8.250 nan 0.000 0.467 238 A N 2.438 125.264 122.820 0.010 0.000 1.851 238 A HA -0.216 4.104 4.320 0.001 0.000 0.216 238 A C 2.192 179.777 177.584 0.002 0.000 1.195 238 A CA 1.951 53.995 52.037 0.011 0.000 0.622 238 A CB -0.580 18.421 19.000 0.002 0.000 0.831 238 A HN 0.455 nan 8.150 nan 0.000 0.444 239 K N -1.591 118.794 120.400 -0.026 0.000 2.366 239 K HA -0.025 4.296 4.320 0.001 0.000 0.198 239 K C 1.840 178.381 176.600 -0.099 0.000 1.044 239 K CA 1.170 57.418 56.287 -0.064 0.000 0.973 239 K CB -0.120 32.326 32.500 -0.090 0.000 0.767 239 K HN 0.380 nan 8.250 nan 0.000 0.475 240 M N 1.239 120.805 119.600 -0.057 0.000 2.236 240 M HA -0.057 4.423 4.480 0.001 0.000 0.266 240 M C 1.872 178.199 176.300 0.045 0.000 1.070 240 M CA 1.420 56.693 55.300 -0.045 0.000 1.137 240 M CB -0.055 32.557 32.600 0.021 0.000 1.378 240 M HN 0.250 nan 8.290 nan 0.000 0.426 241 M N -2.624 117.031 119.600 0.091 0.000 2.288 241 M HA -0.035 4.446 4.480 0.001 0.000 0.266 241 M C 1.666 178.077 176.300 0.185 0.000 1.072 241 M CA 1.633 57.038 55.300 0.176 0.000 1.132 241 M CB -1.094 31.605 32.600 0.165 0.000 1.386 241 M HN 0.131 nan 8.290 nan 0.000 0.432 242 D N 1.742 122.202 120.400 0.101 0.000 2.092 242 D HA -0.170 4.470 4.640 0.001 0.000 0.193 242 D C 2.066 178.438 176.300 0.119 0.000 0.994 242 D CA 1.701 55.758 54.000 0.094 0.000 0.828 242 D CB -0.038 40.774 40.800 0.019 0.000 0.963 242 D HN 0.454 nan 8.370 nan 0.000 0.450 243 R N 0.049 120.564 120.500 0.024 0.000 2.081 243 R HA -0.048 4.292 4.340 0.001 0.000 0.235 243 R C 2.698 179.128 176.300 0.216 0.000 1.131 243 R CA 0.575 56.692 56.100 0.028 0.000 0.960 243 R CB -0.386 29.739 30.300 -0.292 0.000 0.856 243 R HN 0.262 nan 8.270 nan 0.000 0.436 244 L N -0.527 120.878 121.223 0.304 0.000 2.151 244 L HA -0.213 4.127 4.340 0.001 0.000 0.215 244 L C 1.281 178.501 176.870 0.584 0.000 1.084 244 L CA 0.952 56.082 54.840 0.484 0.000 0.764 244 L CB -0.378 41.996 42.059 0.525 0.000 0.891 244 L HN 0.363 nan 8.230 nan 0.000 0.435 245 W N 0.125 121.587 121.300 0.270 0.000 2.639 245 W HA 0.442 5.102 4.660 0.001 0.000 0.347 245 W C 0.579 177.154 176.519 0.094 0.000 1.067 245 W CA 0.355 57.814 57.345 0.190 0.000 1.218 245 W CB 1.368 30.938 29.460 0.184 0.000 1.393 245 W HN 0.163 nan 8.180 nan 0.000 0.557 246 G N 3.265 111.646 108.800 -0.698 0.000 2.553 246 G HA2 -0.254 3.707 3.960 0.001 0.000 0.242 246 G HA3 -0.254 3.707 3.960 0.001 0.000 0.242 246 G C -0.803 173.876 174.900 -0.369 0.000 1.277 246 G CA -0.151 44.716 45.100 -0.388 0.000 0.910 246 G HN 0.511 nan 8.290 nan 0.000 0.576 247 D N 1.744 121.998 120.400 -0.243 0.000 2.393 247 D HA 0.552 5.193 4.640 0.001 0.000 0.232 247 D C -0.232 175.817 176.300 -0.418 0.000 1.192 247 D CA 0.597 54.373 54.000 -0.372 0.000 0.882 247 D CB 0.841 41.627 40.800 -0.025 0.000 1.038 247 D HN 0.541 nan 8.370 nan 0.000 0.499 248 S N 1.716 116.908 115.700 -0.847 0.000 2.605 248 S HA 0.378 4.849 4.470 0.001 0.000 0.279 248 S C -0.945 173.309 174.600 -0.575 0.000 1.166 248 S CA -0.723 57.266 58.200 -0.351 0.000 0.975 248 S CB 0.597 63.812 63.200 0.024 0.000 1.111 248 S HN 0.192 nan 8.310 nan 0.000 0.465 249 F N 1.550 121.620 119.950 0.200 0.000 2.618 249 F HA 0.783 5.310 4.527 0.001 0.000 0.332 249 F C -0.569 175.151 175.800 -0.133 0.000 1.061 249 F CA -1.189 56.811 58.000 0.000 0.000 0.974 249 F CB 0.963 39.914 39.000 -0.082 0.000 1.310 249 F HN 0.497 nan 8.300 nan 0.000 0.491 250 F N 2.143 121.869 119.950 -0.372 0.000 2.716 250 F HA 0.345 4.873 4.527 0.001 0.000 0.354 250 F C -0.460 175.094 175.800 -0.410 0.000 1.168 250 F CA -0.956 56.627 58.000 -0.694 0.000 1.045 250 F CB 0.555 38.932 39.000 -1.038 0.000 1.311 250 F HN 0.361 nan 8.300 nan 0.000 0.477 251 N N 7.125 125.453 118.700 -0.618 0.000 2.431 251 N HA 0.156 4.897 4.740 0.001 0.000 0.265 251 N C -1.982 173.147 175.510 -0.634 0.000 1.184 251 N CA -1.299 51.460 53.050 -0.484 0.000 0.943 251 N CB 1.741 40.015 38.487 -0.355 0.000 1.080 251 N HN 0.311 nan 8.380 nan 0.000 0.477 252 P HA -0.052 nan 4.420 nan 0.000 0.222 252 P C 0.624 177.771 177.300 -0.256 0.000 1.147 252 P CA 1.280 64.199 63.100 -0.302 0.000 0.790 252 P CB 0.491 32.091 31.700 -0.167 0.000 0.780 253 K N -0.836 119.420 120.400 -0.241 0.000 2.029 253 K HA -0.039 4.282 4.320 0.001 0.000 0.205 253 K C 2.170 178.654 176.600 -0.193 0.000 1.042 253 K CA 1.957 58.136 56.287 -0.180 0.000 0.949 253 K CB -1.070 31.341 32.500 -0.149 0.000 0.740 253 K HN 0.191 nan 8.250 nan 0.000 0.442 254 T N -0.645 113.769 114.554 -0.233 0.000 2.962 254 T HA -0.043 4.307 4.350 0.001 0.000 0.270 254 T C 0.654 175.202 174.700 -0.253 0.000 1.088 254 T CA 0.500 62.474 62.100 -0.209 0.000 1.127 254 T CB -0.081 68.671 68.868 -0.193 0.000 0.883 254 T HN 0.022 nan 8.240 nan 0.000 0.493 255 K N 0.861 121.003 120.400 -0.430 0.000 3.117 255 K HA -0.108 4.213 4.320 0.001 0.000 0.269 255 K C -0.623 175.737 176.600 -0.400 0.000 1.098 255 K CA 0.841 56.827 56.287 -0.501 0.000 0.785 255 K CB -1.638 30.749 32.500 -0.189 0.000 1.242 255 K HN 0.643 nan 8.250 nan 0.000 0.491 256 K N -0.669 119.441 120.400 -0.483 0.000 2.502 256 K HA 0.364 4.685 4.320 0.001 0.000 0.257 256 K C -0.564 175.970 176.600 -0.111 0.000 0.938 256 K CA -0.780 55.429 56.287 -0.130 0.000 0.819 256 K CB 1.149 33.629 32.500 -0.035 0.000 1.333 256 K HN -0.065 nan 8.250 nan 0.000 0.434 257 W N 1.418 122.792 121.300 0.123 0.000 2.287 257 W HA 0.265 4.926 4.660 0.001 0.000 0.313 257 W C 0.272 176.856 176.519 0.109 0.000 1.267 257 W CA 0.173 57.632 57.345 0.189 0.000 1.201 257 W CB 1.212 30.795 29.460 0.205 0.000 1.196 257 W HN 0.408 nan 8.180 nan 0.000 0.536 258 T N 1.877 116.637 114.554 0.343 0.000 2.858 258 T HA 0.327 4.677 4.350 0.001 0.000 0.285 258 T C 0.069 174.971 174.700 0.337 0.000 1.052 258 T CA -0.912 61.341 62.100 0.256 0.000 1.009 258 T CB 1.381 70.338 68.868 0.150 0.000 1.241 258 T HN 0.304 nan 8.240 nan 0.000 0.542 259 N N 0.575 119.442 118.700 0.279 0.000 2.377 259 N HA 0.211 4.951 4.740 0.001 0.000 0.259 259 N C -0.861 174.840 175.510 0.318 0.000 1.332 259 N CA -0.080 53.150 53.050 0.300 0.000 0.877 259 N CB 0.959 39.547 38.487 0.168 0.000 1.299 259 N HN 0.353 nan 8.380 nan 0.000 0.501 260 K N 0.890 121.435 120.400 0.243 0.000 2.345 260 K HA 0.155 4.476 4.320 0.001 0.000 0.255 260 K C -0.337 176.009 176.600 -0.423 0.000 0.934 260 K CA -0.538 55.748 56.287 -0.001 0.000 0.801 260 K CB 1.532 34.007 32.500 -0.042 0.000 1.137 260 K HN 0.020 nan 8.250 nan 0.000 0.424 261 D N 0.296 120.342 120.400 -0.590 0.000 2.344 261 D HA -0.006 4.635 4.640 0.001 0.000 0.242 261 D C -0.463 175.487 176.300 -0.584 0.000 1.159 261 D CA 0.058 53.432 54.000 -1.044 0.000 0.859 261 D CB 0.404 40.843 40.800 -0.602 0.000 0.925 261 D HN 0.093 nan 8.370 nan 0.000 0.510 262 T N 0.182 114.493 114.554 -0.404 0.000 3.105 262 T HA 0.119 4.469 4.350 0.001 0.000 0.321 262 T C -1.444 173.137 174.700 -0.198 0.000 1.135 262 T CA -1.000 60.943 62.100 -0.261 0.000 1.053 262 T CB 2.069 70.828 68.868 -0.182 0.000 1.133 262 T HN 0.212 nan 8.240 nan 0.000 0.463 263 D N 2.028 122.322 120.400 -0.177 0.000 2.358 263 D HA 0.319 4.959 4.640 0.001 0.000 0.244 263 D C 1.594 177.830 176.300 -0.108 0.000 1.163 263 D CA 0.025 53.941 54.000 -0.140 0.000 0.945 263 D CB 1.480 42.195 40.800 -0.142 0.000 1.152 263 D HN 0.545 nan 8.370 nan 0.000 0.451 264 A N 3.010 125.776 122.820 -0.089 0.000 1.909 264 A HA -0.282 4.039 4.320 0.001 0.000 0.221 264 A C 1.806 179.350 177.584 -0.067 0.000 1.223 264 A CA 2.063 54.058 52.037 -0.070 0.000 0.658 264 A CB -0.818 18.145 19.000 -0.061 0.000 0.831 264 A HN 0.819 nan 8.150 nan 0.000 0.462 265 E N -1.436 118.722 120.200 -0.071 0.000 2.512 265 E HA 0.264 4.615 4.350 0.001 0.000 0.195 265 E C 1.022 177.581 176.600 -0.069 0.000 1.083 265 E CA 0.271 56.632 56.400 -0.065 0.000 0.873 265 E CB -0.352 29.310 29.700 -0.063 0.000 0.897 265 E HN 0.908 nan 8.360 nan 0.000 0.514 266 G N 2.042 110.794 108.800 -0.080 0.000 2.132 266 G HA2 -0.289 3.671 3.960 0.001 0.000 0.234 266 G HA3 -0.289 3.671 3.960 0.001 0.000 0.234 266 G C -0.060 174.781 174.900 -0.097 0.000 0.989 266 G CA -0.110 44.939 45.100 -0.085 0.000 0.676 266 G HN 0.158 nan 8.290 nan 0.000 0.522 267 K N 0.691 121.026 120.400 -0.109 0.000 2.174 267 K HA 0.451 4.771 4.320 0.001 0.000 0.275 267 K C -2.598 173.909 176.600 -0.154 0.000 1.015 267 K CA -1.879 54.337 56.287 -0.118 0.000 0.933 267 K CB 1.290 33.723 32.500 -0.113 0.000 1.025 267 K HN 0.002 nan 8.250 nan 0.000 0.463 268 P HA 0.097 nan 4.420 nan 0.000 0.276 268 P C -0.880 176.287 177.300 -0.222 0.000 1.243 268 P CA 0.069 63.052 63.100 -0.196 0.000 0.768 268 P CB 0.516 32.123 31.700 -0.155 0.000 0.856 269 L N 2.433 123.467 121.223 -0.315 0.000 2.317 269 L HA 0.397 4.737 4.340 0.001 0.000 0.281 269 L C 0.889 177.623 176.870 -0.226 0.000 1.024 269 L CA -0.799 53.865 54.840 -0.293 0.000 0.810 269 L CB 1.412 43.258 42.059 -0.355 0.000 1.240 269 L HN 0.344 nan 8.230 nan 0.000 0.427 270 E N 3.314 123.439 120.200 -0.124 0.000 2.338 270 E HA 0.105 4.455 4.350 0.001 0.000 0.272 270 E C -0.131 176.534 176.600 0.109 0.000 1.029 270 E CA -0.577 55.781 56.400 -0.071 0.000 0.872 270 E CB 0.976 30.573 29.700 -0.170 0.000 1.015 270 E HN 0.377 nan 8.360 nan 0.000 0.417 271 R N 2.754 123.320 120.500 0.110 0.000 2.679 271 R HA 0.006 4.346 4.340 0.001 0.000 0.268 271 R C 0.836 177.018 176.300 -0.197 0.000 1.044 271 R CA 0.667 56.726 56.100 -0.068 0.000 1.105 271 R CB 0.570 30.662 30.300 -0.346 0.000 0.989 271 R HN 0.742 nan 8.270 nan 0.000 0.447 272 A N 4.857 127.567 122.820 -0.183 0.000 1.986 272 A HA -0.228 4.093 4.320 0.001 0.000 0.220 272 A C 1.715 179.350 177.584 0.085 0.000 1.171 272 A CA 1.417 53.470 52.037 0.028 0.000 0.640 272 A CB -0.565 18.720 19.000 0.475 0.000 0.811 272 A HN 0.856 nan 8.150 nan 0.000 0.451 273 F N 1.216 121.106 119.950 -0.100 0.000 2.053 273 F HA -0.145 4.383 4.527 0.001 0.000 0.292 273 F C 2.005 177.736 175.800 -0.115 0.000 1.125 273 F CA 2.167 60.155 58.000 -0.020 0.000 1.193 273 F CB -0.537 38.447 39.000 -0.026 0.000 0.996 273 F HN 0.270 nan 8.300 nan 0.000 0.470 274 N N 0.121 118.805 118.700 -0.026 0.000 2.091 274 N HA -0.277 4.463 4.740 0.001 0.000 0.193 274 N C 1.913 177.234 175.510 -0.315 0.000 1.021 274 N CA 2.091 55.033 53.050 -0.180 0.000 0.862 274 N CB -0.468 37.905 38.487 -0.191 0.000 1.018 274 N HN 0.388 nan 8.380 nan 0.000 0.429 275 M N -1.153 118.213 119.600 -0.391 0.000 2.123 275 M HA -0.036 4.445 4.480 0.001 0.000 0.263 275 M C 0.641 176.592 176.300 -0.582 0.000 1.069 275 M CA 1.542 56.498 55.300 -0.573 0.000 1.133 275 M CB 0.097 32.171 32.600 -0.877 0.000 1.356 275 M HN 0.071 nan 8.290 nan 0.000 0.415 276 F N -1.048 118.757 119.950 -0.242 0.000 2.656 276 F HA 0.113 4.640 4.527 0.001 0.000 0.291 276 F C 1.755 177.343 175.800 -0.354 0.000 1.122 276 F CA 0.202 58.021 58.000 -0.303 0.000 1.427 276 F CB -0.076 38.675 39.000 -0.414 0.000 1.125 276 F HN 0.055 nan 8.300 nan 0.000 0.583 277 I N -0.973 119.353 120.570 -0.406 0.000 3.443 277 I HA 0.058 4.228 4.170 0.001 0.000 0.277 277 I C 2.055 177.787 176.117 -0.642 0.000 1.169 277 I CA 0.688 61.506 61.300 -0.804 0.000 1.419 277 I CB -1.107 36.216 38.000 -1.128 0.000 1.331 277 I HN 0.049 nan 8.210 nan 0.000 0.458 278 L N 0.710 121.616 121.223 -0.528 0.000 2.179 278 L HA -0.132 4.209 4.340 0.001 0.000 0.208 278 L C 2.121 178.892 176.870 -0.165 0.000 1.096 278 L CA 1.266 55.968 54.840 -0.230 0.000 0.779 278 L CB -0.417 41.518 42.059 -0.206 0.000 0.922 278 L HN 0.224 nan 8.230 nan 0.000 0.443 279 D N 0.125 120.380 120.400 -0.241 0.000 2.097 279 D HA -0.122 4.518 4.640 0.001 0.000 0.197 279 D C -0.615 175.649 176.300 -0.060 0.000 0.984 279 D CA 1.158 55.063 54.000 -0.158 0.000 0.826 279 D CB -0.501 40.188 40.800 -0.185 0.000 0.973 279 D HN 0.088 nan 8.370 nan 0.000 0.460 280 P HA -0.058 nan 4.420 nan 0.000 0.216 280 P C 1.328 178.543 177.300 -0.142 0.000 1.153 280 P CA 1.071 64.108 63.100 -0.104 0.000 0.848 280 P CB 0.011 31.656 31.700 -0.091 0.000 0.787 281 I N -2.964 117.536 120.570 -0.118 0.000 2.546 281 I HA -0.174 3.996 4.170 0.001 0.000 0.255 281 I C 1.932 177.907 176.117 -0.236 0.000 1.163 281 I CA 1.036 62.226 61.300 -0.185 0.000 1.457 281 I CB -0.473 37.393 38.000 -0.223 0.000 1.092 281 I HN -0.142 nan 8.210 nan 0.000 0.434 282 F N 1.494 121.289 119.950 -0.257 0.000 2.206 282 F HA -0.094 4.434 4.527 0.001 0.000 0.298 282 F C 2.513 178.270 175.800 -0.072 0.000 1.090 282 F CA 1.207 59.094 58.000 -0.188 0.000 1.323 282 F CB -0.171 38.753 39.000 -0.128 0.000 1.028 282 F HN -0.067 nan 8.300 nan 0.000 0.492 283 R N 0.037 120.593 120.500 0.092 0.000 2.115 283 R HA -0.002 4.339 4.340 0.001 0.000 0.226 283 R C 2.279 178.597 176.300 0.031 0.000 1.100 283 R CA 0.742 56.871 56.100 0.049 0.000 0.980 283 R CB -1.291 29.017 30.300 0.013 0.000 0.875 283 R HN 0.340 nan 8.270 nan 0.000 0.445 284 L N -0.383 120.854 121.223 0.024 0.000 2.083 284 L HA -0.086 4.254 4.340 0.001 0.000 0.209 284 L C 2.185 179.143 176.870 0.147 0.000 1.083 284 L CA 1.359 56.224 54.840 0.041 0.000 0.752 284 L CB -0.353 41.700 42.059 -0.009 0.000 0.899 284 L HN 0.070 nan 8.230 nan 0.000 0.433 285 F N -0.729 119.136 119.950 -0.141 0.000 2.293 285 F HA -0.148 4.379 4.527 0.001 0.000 0.297 285 F C 2.550 178.270 175.800 -0.132 0.000 1.089 285 F CA 0.897 58.815 58.000 -0.137 0.000 1.377 285 F CB -0.250 38.643 39.000 -0.178 0.000 1.051 285 F HN 0.015 nan 8.300 nan 0.000 0.511 286 T N -0.188 114.417 114.554 0.086 0.000 2.812 286 T HA -0.113 4.238 4.350 0.001 0.000 0.264 286 T C 2.184 176.871 174.700 -0.021 0.000 1.042 286 T CA 1.111 63.224 62.100 0.021 0.000 1.140 286 T CB -0.427 68.465 68.868 0.041 0.000 0.870 286 T HN 0.280 nan 8.240 nan 0.000 0.445 287 A N 1.288 124.098 122.820 -0.016 0.000 1.854 287 A HA 0.098 4.419 4.320 0.001 0.000 0.214 287 A C 2.291 179.830 177.584 -0.075 0.000 1.192 287 A CA 0.951 52.968 52.037 -0.033 0.000 0.611 287 A CB -0.711 18.276 19.000 -0.021 0.000 0.832 287 A HN 0.472 nan 8.150 nan 0.000 0.442 288 I N -0.614 119.897 120.570 -0.098 0.000 2.252 288 I HA -0.227 3.943 4.170 0.001 0.000 0.245 288 I C 2.422 178.347 176.117 -0.319 0.000 1.102 288 I CA 1.020 62.230 61.300 -0.150 0.000 1.385 288 I CB -0.296 37.615 38.000 -0.149 0.000 1.064 288 I HN 0.246 nan 8.210 nan 0.000 0.414 289 M N 0.107 119.507 119.600 -0.333 0.000 2.394 289 M HA -0.111 4.370 4.480 0.001 0.000 0.264 289 M C 1.176 177.063 176.300 -0.689 0.000 1.073 289 M CA 1.486 56.496 55.300 -0.484 0.000 1.111 289 M CB -1.323 31.117 32.600 -0.266 0.000 1.401 289 M HN 0.190 nan 8.290 nan 0.000 0.448 290 N N -0.523 117.922 118.700 -0.426 0.000 2.322 290 N HA 0.085 4.826 4.740 0.001 0.000 0.194 290 N C -0.502 174.919 175.510 -0.149 0.000 1.126 290 N CA 0.016 52.901 53.050 -0.276 0.000 0.845 290 N CB -0.145 38.286 38.487 -0.094 0.000 0.976 290 N HN 0.068 nan 8.380 nan 0.000 0.475 291 F N -0.390 119.554 119.950 -0.011 0.000 3.100 291 F HA -0.297 4.231 4.527 0.001 0.000 0.284 291 F C 0.013 175.808 175.800 -0.008 0.000 0.875 291 F CA 0.281 58.273 58.000 -0.012 0.000 1.039 291 F CB -2.225 36.769 39.000 -0.011 0.000 1.111 291 F HN 0.038 nan 8.300 nan 0.000 0.575 292 K N 1.005 121.459 120.400 0.090 0.000 2.081 292 K HA 0.063 4.384 4.320 0.001 0.000 0.230 292 K C 1.259 177.891 176.600 0.055 0.000 1.199 292 K CA -0.138 56.186 56.287 0.062 0.000 1.130 292 K CB 0.090 32.605 32.500 0.026 0.000 1.386 292 K HN 0.388 nan 8.250 nan 0.000 0.280 293 K N 0.798 121.240 120.400 0.070 0.000 2.218 293 K HA -0.198 4.123 4.320 0.001 0.000 0.205 293 K C 0.881 177.499 176.600 0.030 0.000 1.046 293 K CA 1.282 57.600 56.287 0.051 0.000 0.933 293 K CB 0.092 32.619 32.500 0.046 0.000 0.728 293 K HN 0.427 nan 8.250 nan 0.000 0.454 294 D N 0.631 121.046 120.400 0.026 0.000 2.194 294 D HA -0.086 4.555 4.640 0.001 0.000 0.204 294 D C 1.626 177.933 176.300 0.012 0.000 0.964 294 D CA 1.000 55.010 54.000 0.017 0.000 0.846 294 D CB 0.188 40.997 40.800 0.015 0.000 0.962 294 D HN 0.373 nan 8.370 nan 0.000 0.490 295 E N 0.701 120.908 120.200 0.011 0.000 2.030 295 E HA -0.002 4.348 4.350 0.001 0.000 0.189 295 E C 2.429 179.028 176.600 -0.002 0.000 0.974 295 E CA 0.020 56.422 56.400 0.004 0.000 0.807 295 E CB 0.115 29.816 29.700 0.002 0.000 0.771 295 E HN 0.142 nan 8.360 nan 0.000 0.451 296 I N 2.286 122.855 120.570 -0.001 0.000 2.181 296 I HA -0.337 3.834 4.170 0.001 0.000 0.240 296 I C -0.471 175.640 176.117 -0.011 0.000 1.006 296 I CA 1.760 63.055 61.300 -0.009 0.000 1.284 296 I CB -1.800 36.202 38.000 0.003 0.000 0.990 296 I HN 0.208 nan 8.210 nan 0.000 0.408 297 P HA -0.109 nan 4.420 nan 0.000 0.213 297 P C 1.951 179.247 177.300 -0.005 0.000 1.170 297 P CA 1.711 64.810 63.100 -0.002 0.000 0.893 297 P CB -0.170 31.532 31.700 0.004 0.000 0.784 298 V N 0.284 120.196 119.914 -0.003 0.000 2.392 298 V HA -0.216 3.905 4.120 0.001 0.000 0.249 298 V C 2.790 178.878 176.094 -0.010 0.000 1.059 298 V CA 1.675 63.973 62.300 -0.003 0.000 1.051 298 V CB -1.463 30.361 31.823 0.001 0.000 0.658 298 V HN 0.017 nan 8.190 nan 0.000 0.455 299 L N -0.706 120.505 121.223 -0.019 0.000 2.056 299 L HA -0.086 4.254 4.340 0.001 0.000 0.207 299 L C 2.155 178.992 176.870 -0.056 0.000 1.078 299 L CA 1.797 56.615 54.840 -0.036 0.000 0.749 299 L CB -0.561 41.473 42.059 -0.043 0.000 0.901 299 L HN 0.150 nan 8.230 nan 0.000 0.433 300 L N -0.087 121.106 121.223 -0.050 0.000 1.994 300 L HA -0.204 4.136 4.340 0.001 0.000 0.208 300 L C 2.623 179.474 176.870 -0.032 0.000 1.071 300 L CA 2.006 56.813 54.840 -0.055 0.000 0.745 300 L CB -0.958 41.080 42.059 -0.034 0.000 0.892 300 L HN 0.470 nan 8.230 nan 0.000 0.431 301 E N -0.406 119.785 120.200 -0.015 0.000 2.209 301 E HA -0.310 4.041 4.350 0.001 0.000 0.196 301 E C 2.173 178.773 176.600 0.001 0.000 0.993 301 E CA 1.335 57.733 56.400 -0.002 0.000 0.819 301 E CB 0.039 29.741 29.700 0.002 0.000 0.745 301 E HN 0.385 nan 8.360 nan 0.000 0.477 302 K N 0.051 120.448 120.400 -0.005 0.000 2.155 302 K HA -0.036 4.285 4.320 0.001 0.000 0.203 302 K C 1.828 178.432 176.600 0.007 0.000 1.052 302 K CA 0.619 56.908 56.287 0.004 0.000 0.948 302 K CB 0.133 32.637 32.500 0.006 0.000 0.728 302 K HN 0.175 nan 8.250 nan 0.000 0.448 303 L N 0.754 121.969 121.223 -0.013 0.000 2.592 303 L HA 0.087 4.427 4.340 0.001 0.000 0.227 303 L C 0.265 177.167 176.870 0.053 0.000 1.127 303 L CA 0.086 54.931 54.840 0.009 0.000 0.884 303 L CB 0.014 42.007 42.059 -0.111 0.000 1.065 303 L HN 0.342 nan 8.230 nan 0.000 0.457 304 E N 1.731 121.948 120.200 0.029 0.000 2.358 304 E HA -0.241 4.109 4.350 0.001 0.000 0.246 304 E C -0.610 176.023 176.600 0.054 0.000 1.127 304 E CA 0.191 56.613 56.400 0.037 0.000 0.726 304 E CB -1.250 28.472 29.700 0.037 0.000 1.272 304 E HN 0.508 nan 8.360 nan 0.000 0.390 305 I N 2.284 122.877 120.570 0.039 0.000 2.371 305 I HA 0.198 4.369 4.170 0.001 0.000 0.282 305 I C 0.583 176.719 176.117 0.032 0.000 1.031 305 I CA -0.964 60.367 61.300 0.051 0.000 1.180 305 I CB 1.356 39.377 38.000 0.034 0.000 1.336 305 I HN 0.129 nan 8.210 nan 0.000 0.467 306 V N 5.830 125.766 119.914 0.036 0.000 2.385 306 V HA 0.460 4.581 4.120 0.001 0.000 0.269 306 V C 0.053 176.164 176.094 0.028 0.000 1.043 306 V CA -0.629 61.688 62.300 0.027 0.000 0.906 306 V CB 0.830 32.668 31.823 0.025 0.000 0.995 306 V HN 0.486 nan 8.190 nan 0.000 0.467 307 L N 5.139 126.375 121.223 0.022 0.000 2.397 307 L HA 0.396 4.736 4.340 0.001 0.000 0.271 307 L C 1.052 177.934 176.870 0.020 0.000 1.148 307 L CA -0.413 54.440 54.840 0.022 0.000 0.825 307 L CB 0.707 42.776 42.059 0.016 0.000 1.117 307 L HN 0.585 nan 8.230 nan 0.000 0.456 308 K N 3.276 123.689 120.400 0.021 0.000 3.216 308 K HA 0.141 4.462 4.320 0.001 0.000 0.277 308 K C 1.009 177.618 176.600 0.014 0.000 1.246 308 K CA 0.606 56.904 56.287 0.018 0.000 1.227 308 K CB -0.325 32.187 32.500 0.020 0.000 1.487 308 K HN 0.960 nan 8.250 nan 0.000 0.341 309 G N 1.872 110.679 108.800 0.013 0.000 4.610 309 G HA2 -0.490 3.470 3.960 0.001 0.000 0.323 309 G HA3 -0.490 3.470 3.960 0.001 0.000 0.323 309 G C 1.095 176.001 174.900 0.009 0.000 1.377 309 G CA 0.610 45.716 45.100 0.010 0.000 1.023 309 G HN 0.468 nan 8.290 nan 0.000 0.755 310 D N 1.541 121.946 120.400 0.009 0.000 2.133 310 D HA -0.069 4.572 4.640 0.001 0.000 0.195 310 D C 2.341 178.647 176.300 0.009 0.000 0.997 310 D CA 2.015 56.019 54.000 0.008 0.000 0.840 310 D CB -0.475 40.329 40.800 0.008 0.000 0.947 310 D HN 0.741 nan 8.370 nan 0.000 0.452 311 E N -0.302 119.905 120.200 0.012 0.000 2.333 311 E HA -0.155 4.195 4.350 0.001 0.000 0.198 311 E C 2.036 178.644 176.600 0.013 0.000 1.007 311 E CA 0.518 56.926 56.400 0.013 0.000 0.845 311 E CB 0.088 29.799 29.700 0.018 0.000 0.766 311 E HN 0.319 nan 8.360 nan 0.000 0.507 312 K N 1.272 121.679 120.400 0.012 0.000 2.025 312 K HA -0.158 4.162 4.320 0.001 0.000 0.207 312 K C 1.759 178.367 176.600 0.012 0.000 1.049 312 K CA 1.677 57.971 56.287 0.011 0.000 0.933 312 K CB -0.371 32.135 32.500 0.010 0.000 0.714 312 K HN 0.277 nan 8.250 nan 0.000 0.438 313 D N 0.501 120.907 120.400 0.009 0.000 2.371 313 D HA -0.085 4.555 4.640 0.001 0.000 0.221 313 D C 0.542 176.848 176.300 0.010 0.000 0.986 313 D CA 0.244 54.248 54.000 0.006 0.000 0.899 313 D CB -0.245 40.556 40.800 0.001 0.000 0.902 313 D HN 0.024 nan 8.370 nan 0.000 0.530 314 L N 0.868 122.100 121.223 0.015 0.000 2.416 314 L HA 0.274 4.615 4.340 0.001 0.000 0.272 314 L C 0.550 177.446 176.870 0.044 0.000 1.161 314 L CA 0.289 55.142 54.840 0.021 0.000 0.845 314 L CB 0.607 42.674 42.059 0.013 0.000 1.119 314 L HN 0.125 nan 8.230 nan 0.000 0.464 315 E N 1.046 121.289 120.200 0.072 0.000 2.392 315 E HA 0.633 4.983 4.350 0.001 0.000 0.269 315 E C 0.063 176.804 176.600 0.235 0.000 0.924 315 E CA -0.441 56.066 56.400 0.179 0.000 0.784 315 E CB 2.088 31.895 29.700 0.177 0.000 1.292 315 E HN 0.717 nan 8.360 nan 0.000 0.447 316 G N 1.293 110.313 108.800 0.367 0.000 2.601 316 G HA2 -0.368 3.593 3.960 0.001 0.000 0.252 316 G HA3 -0.368 3.593 3.960 0.001 0.000 0.252 316 G C 0.540 175.423 174.900 -0.029 0.000 1.294 316 G CA 0.381 45.581 45.100 0.166 0.000 0.912 316 G HN 0.576 nan 8.290 nan 0.000 0.574 317 K N 0.179 120.544 120.400 -0.058 0.000 2.160 317 K HA -0.080 4.240 4.320 0.001 0.000 0.206 317 K C 3.067 179.590 176.600 -0.129 0.000 1.047 317 K CA 1.960 58.163 56.287 -0.140 0.000 0.930 317 K CB -0.405 32.022 32.500 -0.123 0.000 0.720 317 K HN 0.767 nan 8.250 nan 0.000 0.450 318 A N 1.419 124.208 122.820 -0.053 0.000 1.908 318 A HA -0.189 4.132 4.320 0.001 0.000 0.218 318 A C 2.099 179.661 177.584 -0.037 0.000 1.181 318 A CA 1.393 53.409 52.037 -0.036 0.000 0.627 318 A CB -0.458 18.541 19.000 -0.002 0.000 0.818 318 A HN 0.262 nan 8.150 nan 0.000 0.445 319 L N -1.050 120.156 121.223 -0.029 0.000 2.023 319 L HA -0.003 4.337 4.340 0.001 0.000 0.205 319 L C 2.205 179.035 176.870 -0.066 0.000 1.073 319 L CA 1.895 56.719 54.840 -0.028 0.000 0.745 319 L CB -0.681 41.375 42.059 -0.004 0.000 0.900 319 L HN 0.305 nan 8.230 nan 0.000 0.435 320 L N 0.053 121.195 121.223 -0.135 0.000 2.043 320 L HA -0.244 4.097 4.340 0.001 0.000 0.212 320 L C 2.414 179.205 176.870 -0.131 0.000 1.075 320 L CA 1.907 56.621 54.840 -0.211 0.000 0.752 320 L CB -0.812 41.001 42.059 -0.410 0.000 0.891 320 L HN 0.304 nan 8.230 nan 0.000 0.432 321 K N -1.415 118.906 120.400 -0.130 0.000 2.209 321 K HA -0.091 4.229 4.320 0.001 0.000 0.204 321 K C 1.875 178.511 176.600 0.059 0.000 1.048 321 K CA 1.346 57.612 56.287 -0.035 0.000 0.940 321 K CB -0.151 32.282 32.500 -0.112 0.000 0.729 321 K HN 0.295 nan 8.250 nan 0.000 0.451 322 V N 0.574 120.503 119.914 0.025 0.000 2.446 322 V HA -0.154 3.967 4.120 0.001 0.000 0.244 322 V C 2.169 178.306 176.094 0.073 0.000 1.039 322 V CA 1.117 63.447 62.300 0.050 0.000 1.045 322 V CB -0.049 31.790 31.823 0.027 0.000 0.681 322 V HN 0.031 nan 8.190 nan 0.000 0.459 323 V N -0.572 119.372 119.914 0.050 0.000 2.358 323 V HA -0.242 3.879 4.120 0.001 0.000 0.246 323 V C 2.474 178.656 176.094 0.146 0.000 1.047 323 V CA 1.643 63.980 62.300 0.061 0.000 1.035 323 V CB -0.607 31.214 31.823 -0.004 0.000 0.658 323 V HN 0.396 nan 8.190 nan 0.000 0.452 324 M N -0.609 119.090 119.600 0.166 0.000 2.394 324 M HA -0.050 4.430 4.480 0.001 0.000 0.264 324 M C 2.241 178.748 176.300 0.345 0.000 1.073 324 M CA 1.363 56.825 55.300 0.269 0.000 1.111 324 M CB -1.106 31.619 32.600 0.208 0.000 1.401 324 M HN 0.321 nan 8.290 nan 0.000 0.448 325 R N 0.157 120.818 120.500 0.268 0.000 2.062 325 R HA -0.100 4.241 4.340 0.001 0.000 0.231 325 R C 2.215 178.626 176.300 0.185 0.000 1.136 325 R CA 1.236 57.473 56.100 0.229 0.000 0.948 325 R CB -0.133 30.265 30.300 0.163 0.000 0.845 325 R HN 0.353 nan 8.270 nan 0.000 0.430 326 K N -0.264 120.237 120.400 0.168 0.000 2.103 326 K HA -0.116 4.204 4.320 0.001 0.000 0.204 326 K C 1.886 178.598 176.600 0.187 0.000 1.052 326 K CA 1.055 57.428 56.287 0.144 0.000 0.945 326 K CB -0.204 32.367 32.500 0.119 0.000 0.722 326 K HN 0.032 nan 8.250 nan 0.000 0.443 327 F N 1.383 121.374 119.950 0.069 0.000 2.031 327 F HA -0.056 4.471 4.527 0.001 0.000 0.295 327 F C 0.612 176.458 175.800 0.076 0.000 1.133 327 F CA 1.309 59.347 58.000 0.064 0.000 1.188 327 F CB 0.002 39.038 39.000 0.060 0.000 0.974 327 F HN -0.184 nan 8.300 nan 0.000 0.473 328 L N 1.625 122.792 121.223 -0.093 0.000 2.457 328 L HA 0.333 4.673 4.340 0.001 0.000 0.252 328 L C -2.495 174.452 176.870 0.128 0.000 1.132 328 L CA -1.937 52.817 54.840 -0.144 0.000 0.938 328 L CB 1.066 43.059 42.059 -0.110 0.000 1.246 328 L HN -0.110 nan 8.230 nan 0.000 0.476 329 P HA -0.021 nan 4.420 nan 0.000 0.259 329 P C 0.781 178.133 177.300 0.087 0.000 1.211 329 P CA 0.254 63.410 63.100 0.093 0.000 0.810 329 P CB 1.160 32.886 31.700 0.043 0.000 0.815 330 A N 5.807 128.701 122.820 0.123 0.000 1.869 330 A HA -0.283 4.038 4.320 0.001 0.000 0.218 330 A C 2.218 179.808 177.584 0.010 0.000 1.203 330 A CA 2.429 54.503 52.037 0.061 0.000 0.638 330 A CB -1.623 17.398 19.000 0.035 0.000 0.831 330 A HN 0.469 nan 8.150 nan 0.000 0.450 331 A N -0.311 122.519 122.820 0.015 0.000 1.997 331 A HA -0.284 4.037 4.320 0.001 0.000 0.221 331 A C 1.672 179.248 177.584 -0.013 0.000 1.172 331 A CA 2.370 54.407 52.037 -0.001 0.000 0.645 331 A CB -0.869 18.139 19.000 0.012 0.000 0.813 331 A HN 0.636 nan 8.150 nan 0.000 0.454 332 D N -0.513 119.881 120.400 -0.010 0.000 2.137 332 D HA 0.148 4.788 4.640 0.001 0.000 0.202 332 D C 2.255 178.531 176.300 -0.040 0.000 0.970 332 D CA 1.187 55.172 54.000 -0.026 0.000 0.837 332 D CB -0.196 40.588 40.800 -0.027 0.000 0.981 332 D HN 0.440 nan 8.370 nan 0.000 0.475 333 A N 0.515 123.314 122.820 -0.035 0.000 1.978 333 A HA -0.130 4.190 4.320 0.001 0.000 0.220 333 A C 2.082 179.622 177.584 -0.074 0.000 1.170 333 A CA 0.973 52.982 52.037 -0.047 0.000 0.636 333 A CB -0.695 18.285 19.000 -0.034 0.000 0.810 333 A HN 0.204 nan 8.150 nan 0.000 0.448 334 L N -1.024 120.156 121.223 -0.073 0.000 2.156 334 L HA -0.060 4.281 4.340 0.001 0.000 0.208 334 L C 2.216 179.047 176.870 -0.065 0.000 1.095 334 L CA 0.716 55.508 54.840 -0.080 0.000 0.770 334 L CB -0.446 41.571 42.059 -0.070 0.000 0.914 334 L HN 0.348 nan 8.230 nan 0.000 0.439 335 L N -0.701 120.489 121.223 -0.055 0.000 2.418 335 L HA -0.068 4.273 4.340 0.001 0.000 0.218 335 L C 2.447 179.269 176.870 -0.081 0.000 1.125 335 L CA 0.402 55.208 54.840 -0.058 0.000 0.835 335 L CB -0.284 41.749 42.059 -0.044 0.000 0.953 335 L HN 0.304 nan 8.230 nan 0.000 0.454 336 E N 1.041 121.195 120.200 -0.076 0.000 2.001 336 E HA -0.218 4.132 4.350 0.001 0.000 0.193 336 E C 2.294 178.831 176.600 -0.105 0.000 0.994 336 E CA 1.362 57.709 56.400 -0.088 0.000 0.815 336 E CB -0.025 29.638 29.700 -0.061 0.000 0.770 336 E HN 0.371 nan 8.360 nan 0.000 0.453 337 M N 0.726 120.301 119.600 -0.043 0.000 2.082 337 M HA -0.225 4.256 4.480 0.001 0.000 0.258 337 M C 2.378 178.673 176.300 -0.008 0.000 1.069 337 M CA 1.221 56.565 55.300 0.073 0.000 1.102 337 M CB -0.506 32.134 32.600 0.067 0.000 1.336 337 M HN 0.208 nan 8.290 nan 0.000 0.404 338 I N 0.314 120.849 120.570 -0.059 0.000 2.074 338 I HA -0.298 3.873 4.170 0.001 0.000 0.238 338 I C 2.478 178.504 176.117 -0.152 0.000 1.037 338 I CA 1.819 63.072 61.300 -0.080 0.000 1.301 338 I CB -1.432 36.523 38.000 -0.076 0.000 1.016 338 I HN 0.176 nan 8.210 nan 0.000 0.400 339 V N 0.806 120.571 119.914 -0.249 0.000 2.307 339 V HA -0.223 3.897 4.120 0.001 0.000 0.245 339 V C 2.602 178.419 176.094 -0.463 0.000 1.045 339 V CA 1.400 63.420 62.300 -0.467 0.000 1.024 339 V CB -0.585 30.860 31.823 -0.630 0.000 0.651 339 V HN 0.333 nan 8.190 nan 0.000 0.449 340 L N -0.902 120.069 121.223 -0.421 0.000 2.083 340 L HA -0.140 4.200 4.340 0.001 0.000 0.209 340 L C 2.517 179.027 176.870 -0.599 0.000 1.083 340 L CA 1.443 55.969 54.840 -0.523 0.000 0.752 340 L CB -0.661 41.023 42.059 -0.625 0.000 0.899 340 L HN 0.487 nan 8.230 nan 0.000 0.433 341 H N -1.023 117.974 119.070 -0.121 0.000 2.311 341 H HA 0.251 4.808 4.556 0.001 0.000 0.289 341 H C 0.937 176.218 175.328 -0.078 0.000 1.022 341 H CA -0.507 55.489 56.048 -0.087 0.000 1.416 341 H CB -0.281 29.430 29.762 -0.084 0.000 1.480 341 H HN 0.023 nan 8.280 nan 0.000 0.609 342 L N 4.787 126.039 121.223 0.048 0.000 2.667 342 L HA -0.063 4.277 4.340 0.001 0.000 0.296 342 L C -1.878 174.989 176.870 -0.006 0.000 1.252 342 L CA -0.675 54.171 54.840 0.010 0.000 0.891 342 L CB -0.151 41.898 42.059 -0.015 0.000 1.141 342 L HN 0.123 nan 8.230 nan 0.000 0.501 343 P HA 0.163 nan 4.420 nan 0.000 0.278 343 P C -0.855 176.463 177.300 0.030 0.000 1.258 343 P CA -0.586 62.539 63.100 0.041 0.000 0.811 343 P CB 1.498 33.258 31.700 0.099 0.000 1.063 344 S N -0.267 115.454 115.700 0.034 0.000 2.713 344 S HA 0.437 4.908 4.470 0.001 0.000 0.283 344 S C -2.085 172.525 174.600 0.017 0.000 1.161 344 S CA -1.585 56.635 58.200 0.032 0.000 0.999 344 S CB 0.441 63.670 63.200 0.048 0.000 1.039 344 S HN 0.200 nan 8.310 nan 0.000 0.548 345 P HA 0.072 nan 4.420 nan 0.000 0.242 345 P C 0.597 177.887 177.300 -0.017 0.000 1.198 345 P CA 0.314 63.403 63.100 -0.020 0.000 0.756 345 P CB -0.092 31.579 31.700 -0.048 0.000 0.911 346 V N -2.172 117.739 119.914 -0.005 0.000 3.048 346 V HA -0.078 4.042 4.120 0.001 0.000 0.241 346 V C 2.122 178.211 176.094 -0.009 0.000 1.129 346 V CA 1.675 63.972 62.300 -0.004 0.000 1.128 346 V CB -1.223 30.608 31.823 0.012 0.000 0.849 346 V HN 0.112 nan 8.190 nan 0.000 0.475 347 T N 1.235 115.797 114.554 0.013 0.000 2.701 347 T HA -0.079 4.272 4.350 0.001 0.000 0.263 347 T C 2.130 176.809 174.700 -0.035 0.000 1.040 347 T CA 1.632 63.770 62.100 0.063 0.000 1.147 347 T CB -0.486 68.457 68.868 0.124 0.000 0.865 347 T HN 0.472 nan 8.240 nan 0.000 0.426 348 A N 1.790 124.509 122.820 -0.170 0.000 1.902 348 A HA -0.162 4.159 4.320 0.001 0.000 0.217 348 A C 2.311 179.383 177.584 -0.853 0.000 1.181 348 A CA 1.397 53.008 52.037 -0.710 0.000 0.623 348 A CB -0.755 18.102 19.000 -0.238 0.000 0.818 348 A HN 0.565 nan 8.150 nan 0.000 0.443 349 Q N -0.682 118.917 119.800 -0.335 0.000 2.364 349 Q HA -0.049 4.291 4.340 0.001 0.000 0.209 349 Q C 2.242 178.117 176.000 -0.208 0.000 0.977 349 Q CA 0.880 56.564 55.803 -0.197 0.000 0.885 349 Q CB -0.334 28.400 28.738 -0.007 0.000 0.941 349 Q HN 0.716 nan 8.270 nan 0.000 0.464 350 A N 0.930 123.621 122.820 -0.215 0.000 1.897 350 A HA -0.168 4.153 4.320 0.001 0.000 0.215 350 A C 1.675 179.238 177.584 -0.035 0.000 1.181 350 A CA 1.207 53.197 52.037 -0.078 0.000 0.620 350 A CB -0.506 18.503 19.000 0.014 0.000 0.821 350 A HN 0.591 nan 8.150 nan 0.000 0.443 351 Y N -3.185 117.115 120.300 -0.000 0.000 2.458 351 Y HA 0.539 5.089 4.550 0.001 0.000 0.256 351 Y C 1.743 177.633 175.900 -0.017 0.000 1.159 351 Y CA 0.097 58.193 58.100 -0.008 0.000 1.261 351 Y CB -0.064 38.393 38.460 -0.004 0.000 1.119 351 Y HN 0.102 nan 8.280 nan 0.000 0.524 352 R N 0.107 120.455 120.500 -0.253 0.000 2.307 352 R HA 0.368 4.709 4.340 0.001 0.000 0.200 352 R C 2.191 178.396 176.300 -0.159 0.000 0.893 352 R CA 0.727 56.732 56.100 -0.159 0.000 1.042 352 R CB 0.083 30.229 30.300 -0.256 0.000 1.059 352 R HN 0.371 nan 8.270 nan 0.000 0.530 353 A N 2.171 124.895 122.820 -0.160 0.000 1.849 353 A HA -0.292 4.028 4.320 0.001 0.000 0.217 353 A C 1.905 179.435 177.584 -0.089 0.000 1.202 353 A CA 2.064 54.008 52.037 -0.155 0.000 0.629 353 A CB -0.786 18.144 19.000 -0.117 0.000 0.834 353 A HN 0.586 nan 8.150 nan 0.000 0.447 354 E N -0.530 119.648 120.200 -0.037 0.000 2.114 354 E HA -0.359 3.992 4.350 0.001 0.000 0.199 354 E C 2.060 178.659 176.600 -0.003 0.000 1.008 354 E CA 1.646 58.050 56.400 0.007 0.000 0.810 354 E CB -0.526 29.181 29.700 0.011 0.000 0.739 354 E HN 0.780 nan 8.360 nan 0.000 0.456 355 Q N 0.279 120.063 119.800 -0.027 0.000 2.291 355 Q HA -0.047 4.294 4.340 0.001 0.000 0.205 355 Q C 1.932 177.885 176.000 -0.078 0.000 0.970 355 Q CA 0.840 56.620 55.803 -0.038 0.000 0.876 355 Q CB 0.142 28.865 28.738 -0.024 0.000 0.935 355 Q HN 0.457 nan 8.270 nan 0.000 0.455 356 L N -0.485 120.663 121.223 -0.125 0.000 2.640 356 L HA 0.191 4.531 4.340 0.001 0.000 0.230 356 L C -0.240 176.577 176.870 -0.089 0.000 1.123 356 L CA -0.260 54.457 54.840 -0.205 0.000 0.900 356 L CB 0.453 42.240 42.059 -0.454 0.000 1.146 356 L HN 0.126 nan 8.230 nan 0.000 0.484 357 Y N 1.040 121.246 120.300 -0.157 0.000 2.328 357 Y HA 0.241 4.791 4.550 0.001 0.000 0.336 357 Y C 0.671 176.530 175.900 -0.068 0.000 0.960 357 Y CA -0.981 57.061 58.100 -0.096 0.000 1.134 357 Y CB 1.038 39.441 38.460 -0.094 0.000 1.166 357 Y HN 0.038 nan 8.280 nan 0.000 0.464 358 E N 4.006 123.915 120.200 -0.485 0.000 2.335 358 E HA 0.229 4.579 4.350 0.001 0.000 0.191 358 E C 0.334 176.573 176.600 -0.603 0.000 1.077 358 E CA -0.097 56.076 56.400 -0.379 0.000 1.010 358 E CB 0.318 29.907 29.700 -0.185 0.000 1.141 358 E HN 0.825 nan 8.360 nan 0.000 0.452 359 G N 1.443 109.609 108.800 -1.058 0.000 3.175 359 G HA2 0.402 4.363 3.960 0.001 0.000 0.255 359 G HA3 0.402 4.363 3.960 0.001 0.000 0.255 359 G C -2.752 171.966 174.900 -0.303 0.000 1.352 359 G CA -1.434 43.022 45.100 -1.073 0.000 1.037 359 G HN -0.130 nan 8.290 nan 0.000 0.556 360 P HA 0.246 nan 4.420 nan 0.000 0.264 360 P C 0.534 177.891 177.300 0.094 0.000 1.193 360 P CA 0.293 63.392 63.100 -0.002 0.000 0.763 360 P CB 1.271 32.975 31.700 0.006 0.000 0.810 361 A N 3.233 126.081 122.820 0.048 0.000 2.225 361 A HA -0.148 4.173 4.320 0.001 0.000 0.215 361 A C 1.026 178.617 177.584 0.012 0.000 1.164 361 A CA 1.637 53.699 52.037 0.042 0.000 0.710 361 A CB -0.881 18.131 19.000 0.020 0.000 0.780 361 A HN 0.643 nan 8.150 nan 0.000 0.473 362 D N -1.619 118.788 120.400 0.011 0.000 2.469 362 D HA 0.161 4.802 4.640 0.001 0.000 0.213 362 D C 0.150 176.446 176.300 -0.006 0.000 1.135 362 D CA -0.209 53.789 54.000 -0.003 0.000 0.834 362 D CB -0.344 40.457 40.800 0.001 0.000 1.009 362 D HN 0.283 nan 8.370 nan 0.000 0.507 363 D N 0.300 120.705 120.400 0.008 0.000 2.472 363 D HA 0.223 4.864 4.640 0.001 0.000 0.237 363 D C 1.673 177.942 176.300 -0.053 0.000 1.141 363 D CA 0.483 54.493 54.000 0.017 0.000 0.875 363 D CB 1.171 42.047 40.800 0.126 0.000 1.192 363 D HN 0.083 nan 8.370 nan 0.000 0.450 364 A N 3.943 126.750 122.820 -0.021 0.000 1.954 364 A HA -0.362 3.959 4.320 0.001 0.000 0.222 364 A C 1.880 179.409 177.584 -0.092 0.000 1.199 364 A CA 2.374 54.389 52.037 -0.036 0.000 0.657 364 A CB -0.792 18.206 19.000 -0.004 0.000 0.823 364 A HN 0.787 nan 8.150 nan 0.000 0.463 365 N N -1.257 117.349 118.700 -0.157 0.000 2.207 365 N HA -0.091 4.649 4.740 0.001 0.000 0.182 365 N C 1.663 176.906 175.510 -0.445 0.000 1.020 365 N CA 1.227 54.113 53.050 -0.275 0.000 0.858 365 N CB -0.775 37.536 38.487 -0.294 0.000 0.991 365 N HN 0.572 nan 8.380 nan 0.000 0.427 366 C N 0.633 119.539 119.300 -0.656 0.000 2.411 366 C HA 0.009 4.469 4.460 0.001 0.000 0.279 366 C C 2.359 177.209 174.990 -0.234 0.000 1.288 366 C CA 0.506 59.210 59.018 -0.522 0.000 1.764 366 C CB -1.254 26.303 27.740 -0.304 0.000 1.974 366 C HN 0.385 nan 8.230 nan 0.000 0.498 367 I N 1.243 121.713 120.570 -0.168 0.000 2.202 367 I HA -0.121 4.049 4.170 0.001 0.000 0.242 367 I C 2.883 178.950 176.117 -0.084 0.000 1.091 367 I CA 1.537 62.781 61.300 -0.094 0.000 1.368 367 I CB -0.694 37.268 38.000 -0.064 0.000 1.058 367 I HN 0.347 nan 8.210 nan 0.000 0.410 368 A N 1.099 123.862 122.820 -0.095 0.000 2.032 368 A HA -0.188 4.133 4.320 0.001 0.000 0.221 368 A C 2.224 179.779 177.584 -0.049 0.000 1.165 368 A CA 1.465 53.464 52.037 -0.063 0.000 0.645 368 A CB -0.606 18.357 19.000 -0.063 0.000 0.807 368 A HN 0.351 nan 8.150 nan 0.000 0.453 369 I N -0.577 119.943 120.570 -0.082 0.000 2.193 369 I HA -0.154 4.016 4.170 0.001 0.000 0.240 369 I C 2.269 178.369 176.117 -0.029 0.000 1.084 369 I CA 1.473 62.748 61.300 -0.042 0.000 1.365 369 I CB -1.303 36.623 38.000 -0.124 0.000 1.064 369 I HN 0.329 nan 8.210 nan 0.000 0.410 370 K N 0.909 121.273 120.400 -0.060 0.000 2.063 370 K HA -0.148 4.173 4.320 0.001 0.000 0.208 370 K C 1.473 178.056 176.600 -0.029 0.000 1.048 370 K CA 1.310 57.568 56.287 -0.049 0.000 0.928 370 K CB -0.088 32.386 32.500 -0.042 0.000 0.713 370 K HN 0.315 nan 8.250 nan 0.000 0.442 371 N N 0.384 119.070 118.700 -0.024 0.000 2.461 371 N HA -0.059 4.682 4.740 0.001 0.000 0.188 371 N C 0.139 175.645 175.510 -0.007 0.000 1.134 371 N CA 0.363 53.405 53.050 -0.014 0.000 0.878 371 N CB -0.169 38.308 38.487 -0.015 0.000 0.972 371 N HN 0.184 nan 8.380 nan 0.000 0.456 372 C N 2.382 121.683 119.300 0.001 0.000 3.860 372 C HA -0.246 4.214 4.460 0.001 0.000 0.292 372 C C 0.205 175.195 174.990 -0.000 0.000 1.445 372 C CA -0.278 58.746 59.018 0.011 0.000 2.040 372 C CB -2.529 25.213 27.740 0.005 0.000 1.314 372 C HN 0.407 nan 8.230 nan 0.000 0.678 373 D N 1.480 121.878 120.400 -0.003 0.000 2.338 373 D HA 0.244 4.885 4.640 0.001 0.000 0.255 373 D C -0.380 175.916 176.300 -0.007 0.000 1.237 373 D CA -1.874 52.122 54.000 -0.008 0.000 0.883 373 D CB 0.858 41.651 40.800 -0.011 0.000 1.087 373 D HN 0.424 nan 8.370 nan 0.000 0.485 374 P HA -0.048 nan 4.420 nan 0.000 0.245 374 P C 0.450 177.744 177.300 -0.011 0.000 1.212 374 P CA 0.329 63.421 63.100 -0.012 0.000 0.774 374 P CB 0.429 32.119 31.700 -0.017 0.000 0.999 375 K N -0.494 119.900 120.400 -0.010 0.000 2.313 375 K HA 0.227 4.547 4.320 0.001 0.000 0.197 375 K C 1.425 178.021 176.600 -0.007 0.000 1.061 375 K CA 0.142 56.424 56.287 -0.009 0.000 0.980 375 K CB -0.088 32.407 32.500 -0.009 0.000 0.888 375 K HN 0.071 nan 8.250 nan 0.000 0.502 376 A N 2.090 124.906 122.820 -0.008 0.000 2.346 376 A HA 0.056 4.377 4.320 0.001 0.000 0.255 376 A C -0.060 177.522 177.584 -0.002 0.000 1.113 376 A CA -0.216 51.817 52.037 -0.007 0.000 0.798 376 A CB 0.001 18.993 19.000 -0.014 0.000 1.073 376 A HN 0.146 nan 8.150 nan 0.000 0.502 377 D N -0.401 120.000 120.400 0.000 0.000 2.478 377 D HA 0.127 4.767 4.640 0.001 0.000 0.234 377 D C 0.217 176.527 176.300 0.016 0.000 1.154 377 D CA 0.225 54.231 54.000 0.009 0.000 0.874 377 D CB 0.321 41.131 40.800 0.017 0.000 1.198 377 D HN 0.361 nan 8.370 nan 0.000 0.455 378 L N 2.303 123.538 121.223 0.020 0.000 2.483 378 L HA 0.021 4.361 4.340 0.001 0.000 0.276 378 L C 0.023 176.927 176.870 0.058 0.000 1.213 378 L CA 0.751 55.608 54.840 0.030 0.000 0.843 378 L CB 0.163 42.234 42.059 0.019 0.000 1.107 378 L HN 0.296 nan 8.230 nan 0.000 0.487 379 M N 7.007 126.657 119.600 0.084 0.000 3.044 379 M HA 0.246 4.726 4.480 0.001 0.000 0.344 379 M C -1.205 175.217 176.300 0.203 0.000 1.524 379 M CA -0.108 55.280 55.300 0.146 0.000 0.682 379 M CB 0.648 33.329 32.600 0.135 0.000 2.220 379 M HN 0.504 nan 8.290 nan 0.000 0.421 380 L N 1.386 122.705 121.223 0.160 0.000 2.289 380 L HA 0.521 4.861 4.340 0.001 0.000 0.285 380 L C -1.349 175.660 176.870 0.232 0.000 1.049 380 L CA -0.644 54.284 54.840 0.147 0.000 0.804 380 L CB 1.460 43.548 42.059 0.049 0.000 1.195 380 L HN 0.512 nan 8.230 nan 0.000 0.428 381 Y N 4.509 124.907 120.300 0.163 0.000 2.331 381 Y HA 0.434 4.984 4.550 0.001 0.000 0.338 381 Y C -0.634 175.319 175.900 0.089 0.000 0.976 381 Y CA -0.605 57.610 58.100 0.192 0.000 1.137 381 Y CB 1.438 40.128 38.460 0.383 0.000 1.172 381 Y HN 0.260 nan 8.280 nan 0.000 0.478 382 V N 7.070 126.758 119.914 -0.378 0.000 2.353 382 V HA 0.066 4.186 4.120 0.001 0.000 0.264 382 V C 0.798 176.700 176.094 -0.321 0.000 1.049 382 V CA 0.569 62.726 62.300 -0.238 0.000 0.896 382 V CB 0.476 32.220 31.823 -0.131 0.000 1.025 382 V HN 1.003 nan 8.190 nan 0.000 0.475 383 S N 4.212 119.917 115.700 0.008 0.000 2.414 383 S HA 0.046 4.517 4.470 0.001 0.000 0.227 383 S C 0.563 175.316 174.600 0.255 0.000 1.022 383 S CA 0.369 58.727 58.200 0.263 0.000 0.958 383 S CB -0.035 63.439 63.200 0.457 0.000 0.797 383 S HN 0.865 nan 8.310 nan 0.000 0.493 384 K N -0.918 119.622 120.400 0.234 0.000 2.642 384 K HA 0.503 4.823 4.320 0.001 0.000 0.290 384 K C -1.511 175.189 176.600 0.165 0.000 1.006 384 K CA -0.988 55.391 56.287 0.153 0.000 0.869 384 K CB 0.658 33.249 32.500 0.152 0.000 1.499 384 K HN -0.100 nan 8.250 nan 0.000 0.403 385 M N 2.102 121.758 119.600 0.093 0.000 2.300 385 M HA 0.433 4.913 4.480 0.001 0.000 0.348 385 M C -0.900 175.542 176.300 0.237 0.000 1.151 385 M CA -1.050 54.350 55.300 0.166 0.000 1.046 385 M CB 1.274 33.911 32.600 0.062 0.000 1.647 385 M HN 0.587 nan 8.290 nan 0.000 0.451 386 V N 5.685 125.755 119.914 0.261 0.000 2.588 386 V HA 0.607 4.727 4.120 0.001 0.000 0.304 386 V C -2.490 173.567 176.094 -0.061 0.000 1.042 386 V CA -2.205 60.169 62.300 0.124 0.000 0.877 386 V CB 2.622 34.461 31.823 0.027 0.000 0.996 386 V HN 0.600 nan 8.190 nan 0.000 0.425 387 P HA 0.224 nan 4.420 nan 0.000 0.266 387 P C -0.683 176.287 177.300 -0.550 0.000 1.195 387 P CA 0.461 63.125 63.100 -0.726 0.000 0.768 387 P CB 0.407 31.808 31.700 -0.499 0.000 0.838 388 T N -1.914 112.242 114.554 -0.664 0.000 2.916 388 T HA 0.361 4.712 4.350 0.001 0.000 0.292 388 T C 1.184 175.657 174.700 -0.378 0.000 1.055 388 T CA -0.231 61.529 62.100 -0.567 0.000 1.009 388 T CB 1.264 69.544 68.868 -0.979 0.000 1.118 388 T HN 0.239 nan 8.240 nan 0.000 0.497 389 S N 0.289 115.842 115.700 -0.245 0.000 2.423 389 S HA -0.063 4.408 4.470 0.001 0.000 0.231 389 S C 0.758 175.284 174.600 -0.124 0.000 1.014 389 S CA 0.828 58.941 58.200 -0.146 0.000 0.965 389 S CB -0.821 62.335 63.200 -0.074 0.000 0.785 389 S HN 0.870 nan 8.310 nan 0.000 0.495 390 D N 2.325 122.646 120.400 -0.133 0.000 2.429 390 D HA 0.301 4.941 4.640 0.001 0.000 0.253 390 D C 0.253 176.505 176.300 -0.080 0.000 1.294 390 D CA 0.287 54.250 54.000 -0.062 0.000 1.063 390 D CB -0.457 40.356 40.800 0.023 0.000 1.096 390 D HN 0.334 nan 8.370 nan 0.000 0.516 391 K N 1.539 121.900 120.400 -0.066 0.000 1.462 391 K HA -0.177 4.144 4.320 0.001 0.000 0.669 391 K C 0.780 177.319 176.600 -0.101 0.000 1.902 391 K CA 1.440 57.693 56.287 -0.056 0.000 1.050 391 K CB -1.268 31.219 32.500 -0.021 0.000 1.861 391 K HN 0.366 nan 8.250 nan 0.000 0.563 392 G N 0.944 109.707 108.800 -0.062 0.000 3.327 392 G HA2 0.107 4.068 3.960 0.001 0.000 0.240 392 G HA3 0.107 4.068 3.960 0.001 0.000 0.240 392 G C -0.183 174.694 174.900 -0.038 0.000 1.222 392 G CA -0.119 44.941 45.100 -0.067 0.000 0.871 392 G HN 0.295 nan 8.290 nan 0.000 0.525 393 R N -0.090 120.362 120.500 -0.081 0.000 2.641 393 R HA 0.357 4.697 4.340 0.001 0.000 0.269 393 R C -0.941 175.257 176.300 -0.169 0.000 1.074 393 R CA -0.047 56.062 56.100 0.016 0.000 1.133 393 R CB 0.471 30.795 30.300 0.039 0.000 1.029 393 R HN 0.158 nan 8.270 nan 0.000 0.488 394 F N 0.976 120.896 119.950 -0.051 0.000 2.532 394 F HA 0.345 4.873 4.527 0.001 0.000 0.321 394 F C -0.257 175.652 175.800 0.181 0.000 1.089 394 F CA -0.985 56.988 58.000 -0.046 0.000 0.926 394 F CB 1.371 40.356 39.000 -0.025 0.000 1.168 394 F HN 0.207 nan 8.300 nan 0.000 0.459 395 Y N 1.495 121.892 120.300 0.161 0.000 2.341 395 Y HA 0.602 5.153 4.550 0.001 0.000 0.337 395 Y C 0.274 176.267 175.900 0.155 0.000 1.014 395 Y CA -2.309 55.866 58.100 0.125 0.000 1.111 395 Y CB 1.204 39.716 38.460 0.086 0.000 1.194 395 Y HN 0.618 nan 8.280 nan 0.000 0.462 396 A N 4.443 127.431 122.820 0.280 0.000 2.409 396 A HA 0.387 4.708 4.320 0.001 0.000 0.267 396 A C -1.038 176.675 177.584 0.216 0.000 1.127 396 A CA -0.166 51.989 52.037 0.197 0.000 0.795 396 A CB -0.443 18.622 19.000 0.108 0.000 1.061 396 A HN 0.562 nan 8.150 nan 0.000 0.502 397 F N 2.946 122.950 119.950 0.089 0.000 2.436 397 F HA 0.676 5.204 4.527 0.001 0.000 0.340 397 F C 0.476 176.323 175.800 0.079 0.000 1.113 397 F CA 0.482 58.530 58.000 0.081 0.000 1.022 397 F CB 1.423 40.472 39.000 0.082 0.000 1.128 397 F HN 0.845 nan 8.300 nan 0.000 0.466 398 G N 5.178 113.478 108.800 -0.834 0.000 2.494 398 G HA2 0.451 4.411 3.960 0.001 0.000 0.308 398 G HA3 0.451 4.411 3.960 0.001 0.000 0.308 398 G C -2.041 172.556 174.900 -0.505 0.000 1.263 398 G CA -1.148 43.642 45.100 -0.517 0.000 0.840 398 G HN 0.757 nan 8.290 nan 0.000 0.479 399 R N -0.573 119.788 120.500 -0.233 0.000 2.621 399 R HA 0.592 4.932 4.340 0.001 0.000 0.284 399 R C -1.374 174.727 176.300 -0.331 0.000 0.998 399 R CA -0.561 55.324 56.100 -0.358 0.000 0.895 399 R CB 2.274 32.255 30.300 -0.533 0.000 1.195 399 R HN 0.373 nan 8.270 nan 0.000 0.450 400 V N 6.046 125.767 119.914 -0.321 0.000 2.356 400 V HA 0.180 4.301 4.120 0.001 0.000 0.258 400 V C 0.327 176.265 176.094 -0.260 0.000 1.065 400 V CA 0.035 62.223 62.300 -0.187 0.000 0.935 400 V CB 0.437 32.188 31.823 -0.120 0.000 1.061 400 V HN 0.760 nan 8.190 nan 0.000 0.484 401 F N 2.715 122.668 119.950 0.005 0.000 2.664 401 F HA 0.513 5.040 4.527 0.001 0.000 0.296 401 F C 1.227 177.010 175.800 -0.028 0.000 1.125 401 F CA 0.701 58.692 58.000 -0.015 0.000 1.444 401 F CB 0.310 39.306 39.000 -0.006 0.000 1.114 401 F HN 0.581 nan 8.300 nan 0.000 0.576 402 A N -1.166 121.727 122.820 0.121 0.000 2.594 402 A HA 0.597 4.917 4.320 0.001 0.000 0.296 402 A C 0.178 177.779 177.584 0.028 0.000 1.061 402 A CA -0.296 51.775 52.037 0.057 0.000 0.689 402 A CB 0.240 19.267 19.000 0.044 0.000 1.280 402 A HN 0.696 nan 8.150 nan 0.000 0.406 403 G N 0.073 108.878 108.800 0.009 0.000 2.697 403 G HA2 0.411 4.371 3.960 0.001 0.000 0.240 403 G HA3 0.411 4.371 3.960 0.001 0.000 0.240 403 G C 0.189 175.085 174.900 -0.007 0.000 1.346 403 G CA 0.499 45.600 45.100 0.001 0.000 0.887 403 G HN 2.860 nan 8.290 nan 0.000 0.569 404 T N -3.506 111.042 114.554 -0.011 0.000 2.886 404 T HA 0.675 5.025 4.350 0.001 0.000 0.292 404 T C -0.266 174.423 174.700 -0.017 0.000 1.012 404 T CA 0.144 62.233 62.100 -0.018 0.000 0.982 404 T CB 1.853 70.709 68.868 -0.021 0.000 1.018 404 T HN 2.063 nan 8.240 nan 0.000 0.451 405 V N 3.361 123.262 119.914 -0.023 0.000 2.644 405 V HA 0.828 4.949 4.120 0.001 0.000 0.295 405 V C -0.853 175.226 176.094 -0.025 0.000 1.053 405 V CA -0.496 61.790 62.300 -0.023 0.000 0.987 405 V CB 0.988 32.795 31.823 -0.027 0.000 1.006 405 V HN 1.168 nan 8.190 nan 0.000 0.472 406 K N 3.413 123.799 120.400 -0.024 0.000 2.542 406 K HA 0.462 4.782 4.320 0.001 0.000 0.259 406 K C -0.766 175.819 176.600 -0.025 0.000 0.932 406 K CA -0.554 55.719 56.287 -0.024 0.000 0.820 406 K CB 1.555 34.043 32.500 -0.021 0.000 1.345 406 K HN 0.456 nan 8.250 nan 0.000 0.432 407 S N 0.757 116.441 115.700 -0.027 0.000 2.593 407 S HA 0.185 4.656 4.470 0.001 0.000 0.300 407 S C 1.362 175.949 174.600 -0.021 0.000 1.267 407 S CA 1.441 59.625 58.200 -0.027 0.000 1.065 407 S CB 0.115 63.299 63.200 -0.027 0.000 0.807 407 S HN 1.057 nan 8.310 nan 0.000 0.499 408 G N 2.096 110.885 108.800 -0.019 0.000 2.417 408 G HA2 -0.333 3.628 3.960 0.001 0.000 0.233 408 G HA3 -0.333 3.628 3.960 0.001 0.000 0.233 408 G C 0.193 175.083 174.900 -0.016 0.000 1.103 408 G CA 0.356 45.447 45.100 -0.015 0.000 0.647 408 G HN 0.834 nan 8.290 nan 0.000 0.512 409 Q N 1.937 121.726 119.800 -0.019 0.000 2.304 409 Q HA 0.185 4.525 4.340 0.001 0.000 0.315 409 Q C 0.711 176.696 176.000 -0.024 0.000 1.075 409 Q CA 0.819 56.610 55.803 -0.020 0.000 0.988 409 Q CB 0.255 28.981 28.738 -0.020 0.000 1.146 409 Q HN 0.678 nan 8.270 nan 0.000 0.383 410 K N 2.540 122.924 120.400 -0.027 0.000 2.227 410 K HA 0.414 4.735 4.320 0.001 0.000 0.280 410 K C -1.260 175.315 176.600 -0.043 0.000 1.041 410 K CA -0.677 55.587 56.287 -0.038 0.000 0.905 410 K CB 1.317 33.795 32.500 -0.037 0.000 1.068 410 K HN 0.338 nan 8.250 nan 0.000 0.470 411 V N 3.182 123.061 119.914 -0.057 0.000 2.960 411 V HA 0.410 4.530 4.120 0.001 0.000 0.315 411 V C -0.298 175.744 176.094 -0.087 0.000 1.087 411 V CA -1.240 61.026 62.300 -0.058 0.000 0.982 411 V CB 1.947 33.744 31.823 -0.044 0.000 1.039 411 V HN 0.781 nan 8.190 nan 0.000 0.437 412 R N 2.546 122.993 120.500 -0.088 0.000 2.202 412 R HA 0.527 4.868 4.340 0.001 0.000 0.334 412 R C -0.810 175.408 176.300 -0.137 0.000 1.036 412 R CA -0.194 55.825 56.100 -0.135 0.000 0.878 412 R CB 0.626 30.834 30.300 -0.153 0.000 1.067 412 R HN 0.554 nan 8.270 nan 0.000 0.457 413 I N 4.313 124.809 120.570 -0.123 0.000 2.269 413 I HA 0.055 4.226 4.170 0.001 0.000 0.293 413 I C 0.163 176.240 176.117 -0.065 0.000 1.106 413 I CA -0.165 61.107 61.300 -0.047 0.000 1.248 413 I CB 0.713 38.723 38.000 0.017 0.000 1.444 413 I HN 0.393 nan 8.210 nan 0.000 0.497 414 Q N 5.338 125.049 119.800 -0.149 0.000 2.349 414 Q HA 0.381 4.722 4.340 0.001 0.000 0.254 414 Q C 0.604 176.625 176.000 0.036 0.000 0.980 414 Q CA -0.467 55.193 55.803 -0.239 0.000 0.924 414 Q CB 1.626 30.151 28.738 -0.354 0.000 1.209 414 Q HN 0.771 nan 8.270 nan 0.000 0.445 415 G N 2.971 111.847 108.800 0.127 0.000 2.588 415 G HA2 0.138 4.098 3.960 0.001 0.000 0.278 415 G HA3 0.138 4.098 3.960 0.001 0.000 0.278 415 G C -1.736 173.273 174.900 0.182 0.000 1.307 415 G CA -1.163 44.047 45.100 0.184 0.000 1.016 415 G HN 0.353 nan 8.290 nan 0.000 0.503 416 P HA -0.139 nan 4.420 nan 0.000 0.215 416 P C 1.600 178.979 177.300 0.130 0.000 1.163 416 P CA 1.174 64.357 63.100 0.139 0.000 0.894 416 P CB 0.181 31.961 31.700 0.133 0.000 0.791 417 N N -2.279 116.501 118.700 0.134 0.000 2.494 417 N HA -0.087 4.654 4.740 0.001 0.000 0.182 417 N C 0.484 176.050 175.510 0.093 0.000 1.076 417 N CA 0.182 53.293 53.050 0.101 0.000 0.908 417 N CB -0.530 38.014 38.487 0.095 0.000 0.967 417 N HN 0.214 nan 8.380 nan 0.000 0.449 418 Y N 1.326 121.633 120.300 0.010 0.000 2.683 418 Y HA 0.054 4.604 4.550 0.001 0.000 0.340 418 Y C -0.112 175.762 175.900 -0.044 0.000 1.245 418 Y CA 0.213 58.299 58.100 -0.024 0.000 1.485 418 Y CB 0.531 38.978 38.460 -0.022 0.000 1.328 418 Y HN -0.299 nan 8.280 nan 0.000 0.603 419 V N 8.429 127.703 119.914 -1.066 0.000 2.711 419 V HA 0.171 4.291 4.120 0.001 0.000 0.304 419 V C -1.888 173.506 176.094 -1.166 0.000 1.097 419 V CA -1.470 60.324 62.300 -0.844 0.000 0.906 419 V CB 1.898 33.481 31.823 -0.400 0.000 1.015 419 V HN 0.644 nan 8.190 nan 0.000 0.427 420 P HA -0.214 nan 4.420 nan 0.000 0.219 420 P C 1.525 178.639 177.300 -0.309 0.000 1.151 420 P CA 2.046 64.843 63.100 -0.505 0.000 0.850 420 P CB 0.298 31.733 31.700 -0.442 0.000 0.784 421 G N -0.308 108.310 108.800 -0.305 0.000 2.464 421 G HA2 -0.141 3.820 3.960 0.001 0.000 0.214 421 G HA3 -0.141 3.820 3.960 0.001 0.000 0.214 421 G C 0.708 175.523 174.900 -0.141 0.000 1.218 421 G CA 0.581 45.577 45.100 -0.173 0.000 0.794 421 G HN 0.242 nan 8.290 nan 0.000 0.542 422 K N -0.199 120.097 120.400 -0.173 0.000 2.179 422 K HA 0.372 4.692 4.320 0.001 0.000 0.238 422 K C 0.217 176.783 176.600 -0.057 0.000 1.033 422 K CA -0.573 55.654 56.287 -0.100 0.000 0.926 422 K CB 0.857 33.306 32.500 -0.086 0.000 1.151 422 K HN -0.027 nan 8.250 nan 0.000 0.492 423 K N 1.004 121.403 120.400 -0.001 0.000 2.414 423 K HA 0.094 4.415 4.320 0.001 0.000 0.204 423 K C -0.675 175.945 176.600 0.033 0.000 1.026 423 K CA -0.047 56.272 56.287 0.054 0.000 1.108 423 K CB 0.452 32.955 32.500 0.004 0.000 0.855 423 K HN 0.473 nan 8.250 nan 0.000 0.517 424 D N 2.022 122.439 120.400 0.029 0.000 2.414 424 D HA -0.053 4.588 4.640 0.001 0.000 0.242 424 D C 0.472 176.804 176.300 0.053 0.000 1.129 424 D CA 0.694 54.703 54.000 0.015 0.000 0.885 424 D CB 0.743 41.555 40.800 0.020 0.000 1.198 424 D HN 0.088 nan 8.370 nan 0.000 0.437 425 D N 0.243 120.605 120.400 -0.064 0.000 2.945 425 D HA -0.199 4.441 4.640 0.001 0.000 0.225 425 D C -0.724 175.406 176.300 -0.283 0.000 1.158 425 D CA 0.383 54.336 54.000 -0.079 0.000 0.805 425 D CB -0.846 40.031 40.800 0.128 0.000 1.098 425 D HN 0.242 nan 8.370 nan 0.000 0.426 426 L N -0.350 120.536 121.223 -0.561 0.000 2.334 426 L HA 0.705 5.046 4.340 0.001 0.000 0.272 426 L C -0.767 175.499 176.870 -1.006 0.000 1.020 426 L CA -0.445 54.036 54.840 -0.598 0.000 0.812 426 L CB 1.258 43.097 42.059 -0.365 0.000 1.264 426 L HN -0.057 nan 8.230 nan 0.000 0.439 427 F N 4.834 124.663 119.950 -0.200 0.000 3.065 427 F HA 0.378 4.906 4.527 0.001 0.000 0.383 427 F C -0.176 175.408 175.800 -0.360 0.000 1.259 427 F CA -0.463 57.370 58.000 -0.278 0.000 1.217 427 F CB 0.291 39.066 39.000 -0.374 0.000 2.042 427 F HN 0.209 nan 8.300 nan 0.000 0.641 428 I N 3.715 124.197 120.570 -0.147 0.000 2.933 428 I HA -0.047 4.123 4.170 0.001 0.000 0.301 428 I C 0.179 176.194 176.117 -0.169 0.000 1.163 428 I CA 0.630 61.844 61.300 -0.143 0.000 1.629 428 I CB -0.453 37.485 38.000 -0.103 0.000 1.530 428 I HN 0.235 nan 8.210 nan 0.000 0.755 429 K N 4.422 124.679 120.400 -0.239 0.000 2.352 429 K HA 0.786 5.107 4.320 0.001 0.000 0.240 429 K C -0.560 175.959 176.600 -0.135 0.000 1.017 429 K CA -0.906 55.231 56.287 -0.250 0.000 0.851 429 K CB 1.945 34.106 32.500 -0.564 0.000 1.261 429 K HN 0.352 nan 8.250 nan 0.000 0.451 430 A N 1.513 124.289 122.820 -0.073 0.000 2.290 430 A HA 0.467 4.787 4.320 0.001 0.000 0.310 430 A C -0.042 177.533 177.584 -0.014 0.000 1.202 430 A CA -0.667 51.349 52.037 -0.036 0.000 0.837 430 A CB 0.072 19.062 19.000 -0.017 0.000 1.139 430 A HN 0.516 nan 8.150 nan 0.000 0.509 431 I N 3.545 124.104 120.570 -0.018 0.000 2.471 431 I HA -0.041 4.130 4.170 0.001 0.000 0.294 431 I C 1.467 177.577 176.117 -0.012 0.000 1.123 431 I CA 0.687 61.980 61.300 -0.012 0.000 1.336 431 I CB -0.651 37.336 38.000 -0.022 0.000 1.430 431 I HN 0.879 nan 8.210 nan 0.000 0.533 432 Q N 3.860 123.659 119.800 -0.002 0.000 2.014 432 Q HA -0.155 4.186 4.340 0.001 0.000 0.207 432 Q C 0.597 176.575 176.000 -0.036 0.000 0.993 432 Q CA 1.662 57.460 55.803 -0.009 0.000 0.850 432 Q CB 0.145 28.886 28.738 0.004 0.000 0.916 432 Q HN 0.434 nan 8.270 nan 0.000 0.417 433 R N -0.661 119.797 120.500 -0.071 0.000 2.548 433 R HA 0.333 4.673 4.340 0.001 0.000 0.280 433 R C -2.000 174.230 176.300 -0.117 0.000 1.061 433 R CA -0.292 55.752 56.100 -0.092 0.000 0.915 433 R CB 1.924 32.156 30.300 -0.114 0.000 1.210 433 R HN -0.125 nan 8.270 nan 0.000 0.442 434 V N 5.343 125.209 119.914 -0.080 0.000 2.407 434 V HA 0.594 4.714 4.120 0.001 0.000 0.278 434 V C -0.233 175.824 176.094 -0.062 0.000 1.037 434 V CA -0.482 61.776 62.300 -0.070 0.000 0.900 434 V CB 1.355 33.151 31.823 -0.045 0.000 0.983 434 V HN 0.605 nan 8.190 nan 0.000 0.459 435 V N 3.660 123.538 119.914 -0.058 0.000 2.962 435 V HA 0.657 4.778 4.120 0.001 0.000 0.313 435 V C -0.622 175.493 176.094 0.036 0.000 1.099 435 V CA -1.081 61.210 62.300 -0.016 0.000 0.971 435 V CB 2.052 33.857 31.823 -0.030 0.000 1.028 435 V HN 0.605 nan 8.190 nan 0.000 0.430 436 L N 4.052 125.309 121.223 0.058 0.000 2.319 436 L HA 0.409 4.749 4.340 0.001 0.000 0.280 436 L C 0.396 177.341 176.870 0.125 0.000 1.099 436 L CA -0.456 54.435 54.840 0.085 0.000 0.828 436 L CB 1.206 43.312 42.059 0.078 0.000 1.150 436 L HN 0.578 nan 8.230 nan 0.000 0.442 437 M N 4.848 124.544 119.600 0.160 0.000 3.442 437 M HA 0.124 4.604 4.480 0.001 0.000 0.232 437 M C 0.070 176.439 176.300 0.116 0.000 1.508 437 M CA 0.233 55.634 55.300 0.169 0.000 1.647 437 M CB -0.201 32.559 32.600 0.267 0.000 1.126 437 M HN 0.533 nan 8.290 nan 0.000 0.557 438 M N 1.406 121.075 119.600 0.114 0.000 3.705 438 M HA 0.132 4.612 4.480 0.001 0.000 0.191 438 M C 1.384 177.701 176.300 0.029 0.000 1.570 438 M CA 0.321 55.687 55.300 0.110 0.000 1.714 438 M CB -1.840 30.867 32.600 0.179 0.000 1.148 438 M HN 0.851 nan 8.290 nan 0.000 0.547 439 G N 2.095 110.881 108.800 -0.022 0.000 3.181 439 G HA2 -0.384 3.576 3.960 0.001 0.000 0.322 439 G HA3 -0.384 3.576 3.960 0.001 0.000 0.322 439 G C 1.066 175.833 174.900 -0.223 0.000 1.246 439 G CA 0.725 45.752 45.100 -0.120 0.000 0.989 439 G HN 0.545 nan 8.290 nan 0.000 0.607 440 R N 0.099 120.328 120.500 -0.452 0.000 2.265 440 R HA 0.400 4.741 4.340 0.001 0.000 0.194 440 R C 0.187 176.137 176.300 -0.582 0.000 0.931 440 R CA 0.251 55.985 56.100 -0.611 0.000 1.032 440 R CB 0.070 29.840 30.300 -0.885 0.000 0.980 440 R HN 0.326 nan 8.270 nan 0.000 0.497 441 F N 0.309 120.268 119.950 0.014 0.000 2.523 441 F HA 0.395 4.922 4.527 0.001 0.000 0.329 441 F C 0.106 175.941 175.800 0.057 0.000 1.061 441 F CA -1.491 56.527 58.000 0.029 0.000 0.967 441 F CB 1.358 40.371 39.000 0.022 0.000 1.218 441 F HN -0.294 nan 8.300 nan 0.000 0.480 442 V N -1.014 119.064 119.914 0.274 0.000 2.715 442 V HA 0.830 4.950 4.120 0.001 0.000 0.310 442 V C -1.177 175.006 176.094 0.148 0.000 1.054 442 V CA -0.703 61.715 62.300 0.196 0.000 0.928 442 V CB 1.788 33.743 31.823 0.219 0.000 1.007 442 V HN 0.730 nan 8.190 nan 0.000 0.437 443 E N 4.171 124.436 120.200 0.108 0.000 2.267 443 E HA 0.581 4.931 4.350 0.001 0.000 0.248 443 E C -2.893 173.732 176.600 0.041 0.000 0.899 443 E CA -2.246 54.197 56.400 0.072 0.000 0.764 443 E CB 1.898 31.643 29.700 0.074 0.000 1.227 443 E HN 0.657 nan 8.360 nan 0.000 0.421 444 P HA -0.011 nan 4.420 nan 0.000 0.263 444 P C -0.825 176.474 177.300 -0.000 0.000 1.175 444 P CA 0.176 63.276 63.100 0.000 0.000 0.761 444 P CB 0.363 32.061 31.700 -0.003 0.000 0.794 445 I N 2.016 122.580 120.570 -0.010 0.000 2.607 445 I HA 0.227 4.397 4.170 0.001 0.000 0.290 445 I C 0.640 176.745 176.117 -0.019 0.000 1.129 445 I CA -0.464 60.829 61.300 -0.012 0.000 1.042 445 I CB 1.526 39.521 38.000 -0.009 0.000 1.242 445 I HN 0.242 nan 8.210 nan 0.000 0.421 446 D N 4.060 124.449 120.400 -0.019 0.000 2.157 446 D HA -0.138 4.502 4.640 0.001 0.000 0.197 446 D C 0.039 176.325 176.300 -0.023 0.000 0.995 446 D CA 1.974 55.962 54.000 -0.020 0.000 0.860 446 D CB 0.000 40.789 40.800 -0.019 0.000 1.016 446 D HN 0.787 nan 8.370 nan 0.000 0.452 447 D N -1.075 119.311 120.400 -0.023 0.000 2.553 447 D HA 0.356 4.996 4.640 0.001 0.000 0.249 447 D C -0.868 175.415 176.300 -0.028 0.000 1.062 447 D CA -0.712 53.273 54.000 -0.025 0.000 1.085 447 D CB 2.035 42.821 40.800 -0.023 0.000 1.350 447 D HN 0.210 nan 8.370 nan 0.000 0.575 448 C N 1.285 120.566 119.300 -0.031 0.000 2.705 448 C HA 0.481 4.942 4.460 0.001 0.000 0.369 448 C C -2.836 172.131 174.990 -0.039 0.000 1.069 448 C CA -0.973 58.023 59.018 -0.036 0.000 1.260 448 C CB 1.255 28.971 27.740 -0.041 0.000 1.764 448 C HN 0.489 nan 8.230 nan 0.000 0.469 449 P HA 0.341 nan 4.420 nan 0.000 0.276 449 P C -0.232 177.038 177.300 -0.051 0.000 1.244 449 P CA 0.130 63.207 63.100 -0.038 0.000 0.801 449 P CB 0.878 32.558 31.700 -0.033 0.000 1.006 450 A N 0.976 123.769 122.820 -0.045 0.000 2.561 450 A HA 0.364 4.685 4.320 0.001 0.000 0.234 450 A C 1.459 178.994 177.584 -0.082 0.000 1.055 450 A CA 1.108 53.108 52.037 -0.061 0.000 0.756 450 A CB -1.564 17.421 19.000 -0.026 0.000 0.986 450 A HN 0.911 nan 8.150 nan 0.000 0.505 451 G N 1.632 110.345 108.800 -0.144 0.000 2.218 451 G HA2 -0.199 3.762 3.960 0.001 0.000 0.216 451 G HA3 -0.199 3.762 3.960 0.001 0.000 0.216 451 G C 0.031 174.841 174.900 -0.150 0.000 0.994 451 G CA 0.318 45.333 45.100 -0.143 0.000 0.637 451 G HN 0.957 nan 8.290 nan 0.000 0.505 452 N N -0.397 118.214 118.700 -0.148 0.000 2.483 452 N HA 0.737 5.478 4.740 0.001 0.000 0.285 452 N C -0.754 174.658 175.510 -0.164 0.000 1.210 452 N CA -0.593 52.387 53.050 -0.116 0.000 0.931 452 N CB 1.236 39.682 38.487 -0.069 0.000 1.220 452 N HN 0.063 nan 8.380 nan 0.000 0.542 453 I N 1.460 121.962 120.570 -0.113 0.000 2.312 453 I HA 0.395 4.565 4.170 0.001 0.000 0.290 453 I C -0.775 175.280 176.117 -0.104 0.000 1.008 453 I CA -0.227 60.977 61.300 -0.159 0.000 1.226 453 I CB 0.437 38.420 38.000 -0.029 0.000 1.371 453 I HN 0.424 nan 8.210 nan 0.000 0.468 454 I N 5.124 125.588 120.570 -0.178 0.000 3.174 454 I HA 0.851 5.021 4.170 0.001 0.000 0.313 454 I C -0.214 175.860 176.117 -0.071 0.000 1.155 454 I CA -0.446 60.809 61.300 -0.075 0.000 0.977 454 I CB 2.354 40.313 38.000 -0.067 0.000 1.248 454 I HN 0.479 nan 8.210 nan 0.000 0.453 455 G N 4.399 113.214 108.800 0.025 0.000 2.448 455 G HA2 0.682 4.643 3.960 0.001 0.000 0.324 455 G HA3 0.682 4.643 3.960 0.001 0.000 0.324 455 G C -1.717 173.180 174.900 -0.005 0.000 1.203 455 G CA -0.608 44.535 45.100 0.072 0.000 0.954 455 G HN 0.578 nan 8.290 nan 0.000 0.480 456 L N 1.100 122.321 121.223 -0.002 0.000 2.346 456 L HA 0.583 4.924 4.340 0.001 0.000 0.274 456 L C -0.586 176.209 176.870 -0.125 0.000 1.007 456 L CA -1.215 53.590 54.840 -0.057 0.000 0.818 456 L CB 2.340 44.392 42.059 -0.012 0.000 1.284 456 L HN 0.155 nan 8.230 nan 0.000 0.424 457 V N 1.420 121.197 119.914 -0.228 0.000 2.357 457 V HA 0.670 4.791 4.120 0.001 0.000 0.284 457 V C 0.655 176.713 176.094 -0.060 0.000 1.018 457 V CA 0.079 62.186 62.300 -0.321 0.000 0.841 457 V CB 1.099 32.574 31.823 -0.581 0.000 0.991 457 V HN 1.065 nan 8.190 nan 0.000 0.437 458 G N 4.403 113.244 108.800 0.068 0.000 2.151 458 G HA2 -0.143 3.817 3.960 0.001 0.000 0.156 458 G HA3 -0.143 3.817 3.960 0.001 0.000 0.156 458 G C -0.065 174.946 174.900 0.186 0.000 1.017 458 G CA 0.022 45.189 45.100 0.112 0.000 0.686 458 G HN 0.601 nan 8.290 nan 0.000 0.503 459 I N 0.886 121.560 120.570 0.173 0.000 4.323 459 I HA 0.190 4.361 4.170 0.001 0.000 0.328 459 I C 1.991 178.152 176.117 0.074 0.000 1.310 459 I CA 0.926 62.374 61.300 0.247 0.000 1.186 459 I CB 0.359 38.463 38.000 0.174 0.000 1.130 459 I HN 0.178 nan 8.210 nan 0.000 0.411 460 D N 1.255 121.679 120.400 0.039 0.000 2.244 460 D HA -0.322 4.318 4.640 0.001 0.000 0.197 460 D C 1.676 177.835 176.300 -0.234 0.000 1.006 460 D CA 1.574 55.551 54.000 -0.038 0.000 0.888 460 D CB -0.577 40.281 40.800 0.097 0.000 0.912 460 D HN 0.506 nan 8.370 nan 0.000 0.452 461 Q N -0.653 118.873 119.800 -0.457 0.000 2.280 461 Q HA 0.083 4.423 4.340 0.001 0.000 0.202 461 Q C 0.406 175.817 176.000 -0.981 0.000 0.903 461 Q CA 0.202 55.580 55.803 -0.709 0.000 0.948 461 Q CB -0.097 28.143 28.738 -0.829 0.000 1.058 461 Q HN 0.422 nan 8.270 nan 0.000 0.493 462 F N -0.071 119.660 119.950 -0.365 0.000 2.729 462 F HA 0.371 4.899 4.527 0.001 0.000 0.304 462 F C 0.590 176.163 175.800 -0.379 0.000 1.008 462 F CA -0.256 57.345 58.000 -0.665 0.000 1.188 462 F CB 0.827 39.487 39.000 -0.568 0.000 0.980 462 F HN -0.129 nan 8.300 nan 0.000 0.627 463 L N 1.222 122.420 121.223 -0.041 0.000 2.319 463 L HA 0.291 4.632 4.340 0.001 0.000 0.281 463 L C 0.851 177.675 176.870 -0.077 0.000 1.005 463 L CA -0.544 54.289 54.840 -0.011 0.000 0.828 463 L CB 2.138 44.212 42.059 0.026 0.000 1.227 463 L HN 0.056 nan 8.230 nan 0.000 0.415 464 L N 4.135 125.318 121.223 -0.067 0.000 1.976 464 L HA -0.160 4.181 4.340 0.001 0.000 0.209 464 L C 1.668 178.442 176.870 -0.160 0.000 1.071 464 L CA 2.199 56.966 54.840 -0.122 0.000 0.746 464 L CB -0.130 41.890 42.059 -0.065 0.000 0.890 464 L HN 0.685 nan 8.230 nan 0.000 0.432 465 K N -3.452 116.887 120.400 -0.101 0.000 2.890 465 K HA 0.236 4.556 4.320 0.001 0.000 0.202 465 K C 0.058 176.634 176.600 -0.041 0.000 1.592 465 K CA 0.356 56.554 56.287 -0.149 0.000 1.197 465 K CB 0.772 33.048 32.500 -0.374 0.000 1.913 465 K HN 0.070 nan 8.250 nan 0.000 0.550 466 T N 0.664 115.258 114.554 0.067 0.000 2.918 466 T HA 0.686 5.037 4.350 0.001 0.000 0.286 466 T C -0.354 174.352 174.700 0.010 0.000 1.026 466 T CA -0.504 61.640 62.100 0.073 0.000 1.031 466 T CB 1.939 70.970 68.868 0.272 0.000 1.046 466 T HN 0.422 nan 8.240 nan 0.000 0.479 467 G N 0.510 109.235 108.800 -0.125 0.000 2.451 467 G HA2 0.526 4.487 3.960 0.001 0.000 0.292 467 G HA3 0.526 4.487 3.960 0.001 0.000 0.292 467 G C -1.471 173.351 174.900 -0.130 0.000 1.427 467 G CA -0.636 44.424 45.100 -0.066 0.000 0.792 467 G HN 0.651 nan 8.290 nan 0.000 0.498 468 T N 0.670 115.224 114.554 -0.001 0.000 2.812 468 T HA 0.592 4.942 4.350 0.001 0.000 0.282 468 T C -0.710 174.017 174.700 0.046 0.000 0.990 468 T CA -0.301 61.837 62.100 0.063 0.000 0.960 468 T CB 1.327 70.293 68.868 0.163 0.000 0.948 468 T HN 0.326 nan 8.240 nan 0.000 0.438 469 L N 3.888 125.142 121.223 0.053 0.000 2.295 469 L HA 0.734 5.074 4.340 0.001 0.000 0.285 469 L C 0.868 177.764 176.870 0.044 0.000 1.035 469 L CA -0.127 54.727 54.840 0.023 0.000 0.806 469 L CB 1.618 43.685 42.059 0.013 0.000 1.214 469 L HN 0.900 nan 8.230 nan 0.000 0.426 470 T N -2.255 112.308 114.554 0.014 0.000 2.696 470 T HA 0.611 4.961 4.350 0.001 0.000 0.291 470 T C 0.222 174.925 174.700 0.005 0.000 1.095 470 T CA -0.227 61.893 62.100 0.033 0.000 1.026 470 T CB 1.795 70.701 68.868 0.063 0.000 1.390 470 T HN 0.348 nan 8.240 nan 0.000 0.513 471 T N 0.050 114.614 114.554 0.017 0.000 2.992 471 T HA 0.340 4.690 4.350 0.001 0.000 0.255 471 T C 0.688 175.398 174.700 0.016 0.000 0.938 471 T CA 0.080 62.183 62.100 0.005 0.000 0.895 471 T CB 0.331 69.201 68.868 0.004 0.000 1.221 471 T HN 0.689 nan 8.240 nan 0.000 0.512 472 S N 2.021 117.744 115.700 0.037 0.000 2.455 472 S HA 0.153 4.623 4.470 0.001 0.000 0.278 472 S C 1.078 175.718 174.600 0.067 0.000 1.216 472 S CA -0.249 57.983 58.200 0.052 0.000 1.055 472 S CB 0.898 64.140 63.200 0.069 0.000 0.939 472 S HN 0.406 nan 8.310 nan 0.000 0.494 473 E N 2.734 122.967 120.200 0.054 0.000 2.333 473 E HA -0.101 4.250 4.350 0.001 0.000 0.198 473 E C 0.903 177.558 176.600 0.092 0.000 1.007 473 E CA 1.244 57.682 56.400 0.062 0.000 0.845 473 E CB 0.120 29.844 29.700 0.040 0.000 0.766 473 E HN 0.796 nan 8.360 nan 0.000 0.507 474 T N -2.097 112.514 114.554 0.096 0.000 3.269 474 T HA 0.565 4.916 4.350 0.001 0.000 0.269 474 T C -0.067 174.743 174.700 0.183 0.000 0.993 474 T CA -0.294 61.870 62.100 0.106 0.000 0.909 474 T CB 0.961 69.889 68.868 0.100 0.000 1.115 474 T HN 0.112 nan 8.240 nan 0.000 0.543 475 A N 1.386 124.327 122.820 0.202 0.000 2.260 475 A HA 0.649 4.969 4.320 0.001 0.000 0.308 475 A C -0.268 177.504 177.584 0.313 0.000 1.254 475 A CA -0.586 51.637 52.037 0.311 0.000 0.874 475 A CB 0.170 19.314 19.000 0.240 0.000 1.153 475 A HN 0.621 nan 8.150 nan 0.000 0.527 476 H N 1.231 120.449 119.070 0.247 0.000 2.581 476 H HA 0.254 4.810 4.556 0.001 0.000 0.369 476 H C 0.360 175.742 175.328 0.090 0.000 1.351 476 H CA 0.114 56.180 56.048 0.029 0.000 1.434 476 H CB 0.485 30.040 29.762 -0.344 0.000 1.558 476 H HN 0.660 nan 8.280 nan 0.000 0.608 477 N N 0.716 119.509 118.700 0.155 0.000 2.524 477 N HA 0.145 4.886 4.740 0.001 0.000 0.283 477 N C -0.277 175.297 175.510 0.107 0.000 1.142 477 N CA -0.219 52.935 53.050 0.174 0.000 0.984 477 N CB 0.871 39.461 38.487 0.171 0.000 1.155 477 N HN 0.402 nan 8.380 nan 0.000 0.467 478 M N 1.206 120.940 119.600 0.222 0.000 2.250 478 M HA 0.128 4.609 4.480 0.001 0.000 0.344 478 M C 0.546 176.951 176.300 0.175 0.000 1.150 478 M CA -0.538 54.881 55.300 0.198 0.000 1.147 478 M CB 0.559 33.327 32.600 0.280 0.000 1.498 478 M HN 0.050 nan 8.290 nan 0.000 0.461 479 K N 2.627 123.047 120.400 0.034 0.000 2.255 479 K HA -0.071 4.250 4.320 0.001 0.000 0.245 479 K C -0.483 176.214 176.600 0.162 0.000 1.352 479 K CA 0.178 56.482 56.287 0.028 0.000 1.315 479 K CB -1.637 30.828 32.500 -0.059 0.000 0.732 479 K HN 0.641 nan 8.250 nan 0.000 0.526 480 V N 0.795 120.808 119.914 0.166 0.000 2.740 480 V HA 0.141 4.262 4.120 0.001 0.000 0.303 480 V C 0.734 176.906 176.094 0.130 0.000 1.054 480 V CA -0.372 62.047 62.300 0.200 0.000 1.106 480 V CB 0.584 32.482 31.823 0.126 0.000 0.957 480 V HN 0.496 nan 8.190 nan 0.000 0.486 481 M N 4.522 124.210 119.600 0.146 0.000 2.365 481 M HA 0.360 4.841 4.480 0.001 0.000 0.350 481 M C 0.206 176.321 176.300 -0.307 0.000 1.274 481 M CA -0.246 55.018 55.300 -0.059 0.000 1.252 481 M CB 0.405 33.023 32.600 0.031 0.000 1.297 481 M HN 0.700 nan 8.290 nan 0.000 0.438 482 K N 2.352 122.605 120.400 -0.246 0.000 2.543 482 K HA 0.057 4.378 4.320 0.001 0.000 0.279 482 K C -1.176 175.164 176.600 -0.433 0.000 1.001 482 K CA 0.976 57.137 56.287 -0.209 0.000 1.088 482 K CB 0.274 32.698 32.500 -0.126 0.000 0.863 482 K HN 0.309 nan 8.250 nan 0.000 0.488 483 F N 0.274 120.251 119.950 0.045 0.000 2.588 483 F HA 0.176 4.703 4.527 0.001 0.000 0.314 483 F C 0.086 175.907 175.800 0.036 0.000 1.134 483 F CA -0.698 57.316 58.000 0.024 0.000 0.961 483 F CB 2.163 41.171 39.000 0.013 0.000 1.239 483 F HN 0.311 nan 8.300 nan 0.000 0.448 484 S N 1.504 117.348 115.700 0.241 0.000 2.482 484 S HA 0.531 5.002 4.470 0.001 0.000 0.303 484 S C -0.168 174.475 174.600 0.072 0.000 1.091 484 S CA -0.400 57.904 58.200 0.173 0.000 1.057 484 S CB 1.778 65.131 63.200 0.255 0.000 1.031 484 S HN 0.612 nan 8.310 nan 0.000 0.485 485 V N 4.324 124.254 119.914 0.026 0.000 3.596 485 V HA 0.305 4.426 4.120 0.001 0.000 0.289 485 V C 0.210 176.262 176.094 -0.069 0.000 1.336 485 V CA 0.219 62.502 62.300 -0.028 0.000 1.137 485 V CB -0.118 31.688 31.823 -0.028 0.000 0.966 485 V HN 0.847 nan 8.190 nan 0.000 0.428 486 S N 3.643 119.253 115.700 -0.149 0.000 2.466 486 S HA 0.217 4.688 4.470 0.001 0.000 0.286 486 S C -2.299 172.163 174.600 -0.229 0.000 1.221 486 S CA -0.419 57.586 58.200 -0.326 0.000 1.091 486 S CB 0.773 63.389 63.200 -0.973 0.000 0.956 486 S HN 0.403 nan 8.310 nan 0.000 0.501 487 P HA 0.052 nan 4.420 nan 0.000 0.244 487 P C 0.787 178.066 177.300 -0.035 0.000 1.723 487 P CA -0.090 63.002 63.100 -0.014 0.000 1.110 487 P CB -0.278 31.450 31.700 0.047 0.000 1.972 488 V N 0.411 120.263 119.914 -0.104 0.000 3.623 488 V HA 0.121 4.241 4.120 0.001 0.000 0.271 488 V C 0.416 176.484 176.094 -0.043 0.000 1.248 488 V CA 0.300 62.515 62.300 -0.141 0.000 1.156 488 V CB -0.342 31.302 31.823 -0.298 0.000 0.870 488 V HN 0.001 nan 8.190 nan 0.000 0.453 489 V N 1.989 121.926 119.914 0.039 0.000 2.777 489 V HA 0.625 4.746 4.120 0.001 0.000 0.306 489 V C -0.637 175.519 176.094 0.103 0.000 1.112 489 V CA -0.548 61.809 62.300 0.095 0.000 0.917 489 V CB 1.652 33.560 31.823 0.142 0.000 1.018 489 V HN 0.696 nan 8.190 nan 0.000 0.426 490 Q N 3.241 123.102 119.800 0.102 0.000 2.626 490 Q HA 0.954 5.295 4.340 0.001 0.000 0.300 490 Q C -1.522 174.509 176.000 0.051 0.000 0.988 490 Q CA -1.038 54.810 55.803 0.074 0.000 0.761 490 Q CB 2.993 31.785 28.738 0.091 0.000 1.494 490 Q HN 0.978 nan 8.270 nan 0.000 0.439 491 V N -4.137 115.784 119.914 0.011 0.000 3.178 491 V HA 0.931 5.051 4.120 0.001 0.000 0.302 491 V C -1.164 174.912 176.094 -0.030 0.000 1.262 491 V CA -0.653 61.645 62.300 -0.004 0.000 1.030 491 V CB 1.344 33.162 31.823 -0.009 0.000 1.074 491 V HN 1.099 nan 8.190 nan 0.000 0.438 492 A N 1.685 124.494 122.820 -0.019 0.000 2.301 492 A HA 0.852 5.172 4.320 0.001 0.000 0.312 492 A C -0.464 177.113 177.584 -0.010 0.000 1.182 492 A CA -0.648 51.379 52.037 -0.017 0.000 0.826 492 A CB 1.234 20.235 19.000 0.000 0.000 1.134 492 A HN 1.471 nan 8.150 nan 0.000 0.501 493 V N 3.323 123.239 119.914 0.002 0.000 2.384 493 V HA 0.451 4.571 4.120 0.001 0.000 0.287 493 V C -0.156 175.962 176.094 0.039 0.000 1.020 493 V CA -0.458 61.846 62.300 0.006 0.000 0.850 493 V CB 1.223 33.032 31.823 -0.023 0.000 0.987 493 V HN 0.945 nan 8.190 nan 0.000 0.436 494 E N 2.408 122.623 120.200 0.026 0.000 2.312 494 E HA 0.536 4.887 4.350 0.001 0.000 0.267 494 E C -1.118 175.496 176.600 0.024 0.000 0.894 494 E CA -0.610 55.812 56.400 0.038 0.000 0.773 494 E CB 2.561 32.279 29.700 0.030 0.000 1.241 494 E HN 0.505 nan 8.360 nan 0.000 0.432 495 V N 1.093 121.024 119.914 0.028 0.000 2.348 495 V HA 0.314 4.435 4.120 0.001 0.000 0.270 495 V C 1.281 177.386 176.094 0.019 0.000 1.037 495 V CA -0.483 61.829 62.300 0.020 0.000 0.872 495 V CB 1.175 33.009 31.823 0.019 0.000 1.002 495 V HN 0.716 nan 8.190 nan 0.000 0.464 496 K N 3.632 124.042 120.400 0.016 0.000 2.280 496 K HA -0.073 4.248 4.320 0.001 0.000 0.202 496 K C 0.673 177.281 176.600 0.014 0.000 1.047 496 K CA 1.075 57.370 56.287 0.015 0.000 0.942 496 K CB 0.154 32.662 32.500 0.014 0.000 0.739 496 K HN 0.771 nan 8.250 nan 0.000 0.457 497 N N 0.219 118.927 118.700 0.014 0.000 2.511 497 N HA 0.155 4.896 4.740 0.001 0.000 0.249 497 N C -0.141 175.377 175.510 0.014 0.000 0.971 497 N CA 0.057 53.115 53.050 0.013 0.000 0.938 497 N CB 1.798 40.292 38.487 0.012 0.000 1.131 497 N HN 0.187 nan 8.380 nan 0.000 0.505 498 A N 3.109 125.938 122.820 0.014 0.000 2.019 498 A HA -0.207 4.113 4.320 0.001 0.000 0.219 498 A C 1.872 179.465 177.584 0.015 0.000 1.164 498 A CA 1.309 53.356 52.037 0.016 0.000 0.644 498 A CB -0.261 18.748 19.000 0.015 0.000 0.805 498 A HN 0.795 nan 8.150 nan 0.000 0.449 499 N N 0.265 118.973 118.700 0.012 0.000 2.216 499 N HA -0.139 4.601 4.740 0.001 0.000 0.183 499 N C 0.243 175.760 175.510 0.010 0.000 1.017 499 N CA 1.460 54.517 53.050 0.011 0.000 0.861 499 N CB -0.730 37.762 38.487 0.008 0.000 0.986 499 N HN 0.372 nan 8.380 nan 0.000 0.428 500 D N 0.990 121.396 120.400 0.010 0.000 2.338 500 D HA 0.005 4.646 4.640 0.001 0.000 0.239 500 D C 1.765 178.069 176.300 0.008 0.000 1.095 500 D CA -0.164 53.841 54.000 0.008 0.000 0.888 500 D CB 0.095 40.900 40.800 0.008 0.000 0.899 500 D HN 0.309 nan 8.370 nan 0.000 0.525 501 L N 1.315 122.546 121.223 0.014 0.000 1.997 501 L HA -0.167 4.174 4.340 0.001 0.000 0.216 501 L C -0.785 176.091 176.870 0.011 0.000 1.074 501 L CA 1.908 56.760 54.840 0.020 0.000 0.763 501 L CB -1.047 41.031 42.059 0.032 0.000 0.890 501 L HN -0.001 nan 8.230 nan 0.000 0.434 502 P HA -0.206 nan 4.420 nan 0.000 0.216 502 P C 1.048 178.342 177.300 -0.009 0.000 1.150 502 P CA 1.732 64.835 63.100 0.006 0.000 0.843 502 P CB -0.040 31.665 31.700 0.009 0.000 0.787 503 K N -1.218 119.177 120.400 -0.008 0.000 2.280 503 K HA -0.112 4.209 4.320 0.001 0.000 0.202 503 K C 1.859 178.442 176.600 -0.028 0.000 1.047 503 K CA 0.757 57.037 56.287 -0.011 0.000 0.942 503 K CB -0.599 31.900 32.500 -0.002 0.000 0.739 503 K HN 0.106 nan 8.250 nan 0.000 0.457 504 L N 0.423 121.616 121.223 -0.050 0.000 2.068 504 L HA -0.057 4.284 4.340 0.001 0.000 0.204 504 L C 1.791 178.553 176.870 -0.180 0.000 1.076 504 L CA 1.382 56.160 54.840 -0.102 0.000 0.753 504 L CB -0.260 41.736 42.059 -0.106 0.000 0.910 504 L HN -0.146 nan 8.230 nan 0.000 0.439 505 V N 0.040 119.851 119.914 -0.171 0.000 2.982 505 V HA -0.205 3.916 4.120 0.001 0.000 0.265 505 V C 2.476 178.509 176.094 -0.101 0.000 1.122 505 V CA 1.637 63.831 62.300 -0.176 0.000 1.143 505 V CB -0.717 31.083 31.823 -0.039 0.000 0.726 505 V HN 0.502 nan 8.190 nan 0.000 0.507 506 E N 0.522 120.679 120.200 -0.072 0.000 2.110 506 E HA 0.106 4.457 4.350 0.001 0.000 0.193 506 E C 2.284 178.865 176.600 -0.032 0.000 0.950 506 E CA 1.051 57.429 56.400 -0.037 0.000 0.840 506 E CB -0.610 29.081 29.700 -0.015 0.000 0.809 506 E HN 0.337 nan 8.360 nan 0.000 0.465 507 G N 1.435 110.221 108.800 -0.023 0.000 2.440 507 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 507 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 507 G C 1.584 176.422 174.900 -0.102 0.000 1.154 507 G CA 1.084 46.197 45.100 0.021 0.000 0.767 507 G HN 0.261 nan 8.290 nan 0.000 0.552 508 L N 0.010 121.149 121.223 -0.141 0.000 1.990 508 L HA -0.148 4.193 4.340 0.001 0.000 0.213 508 L C 3.030 179.814 176.870 -0.144 0.000 1.072 508 L CA 1.795 56.529 54.840 -0.176 0.000 0.755 508 L CB -0.370 41.569 42.059 -0.199 0.000 0.889 508 L HN 0.201 nan 8.230 nan 0.000 0.432 509 K N -0.382 119.961 120.400 -0.095 0.000 2.057 509 K HA -0.209 4.112 4.320 0.001 0.000 0.207 509 K C 2.242 178.806 176.600 -0.059 0.000 1.049 509 K CA 1.227 57.481 56.287 -0.055 0.000 0.931 509 K CB -0.231 32.252 32.500 -0.028 0.000 0.714 509 K HN 0.181 nan 8.250 nan 0.000 0.440 510 R N 1.044 121.510 120.500 -0.058 0.000 2.152 510 R HA -0.122 4.218 4.340 0.001 0.000 0.232 510 R C 2.207 178.435 176.300 -0.121 0.000 1.117 510 R CA 0.801 56.895 56.100 -0.009 0.000 0.981 510 R CB -0.079 30.290 30.300 0.114 0.000 0.870 510 R HN 0.111 nan 8.270 nan 0.000 0.451 511 L N -0.052 120.942 121.223 -0.381 0.000 2.095 511 L HA 0.028 4.368 4.340 0.001 0.000 0.204 511 L C 1.894 178.644 176.870 -0.200 0.000 1.080 511 L CA 1.772 56.262 54.840 -0.584 0.000 0.759 511 L CB -0.442 41.249 42.059 -0.613 0.000 0.914 511 L HN -0.021 nan 8.230 nan 0.000 0.439 512 S N -0.561 115.072 115.700 -0.113 0.000 2.442 512 S HA -0.114 4.357 4.470 0.001 0.000 0.236 512 S C 1.811 176.447 174.600 0.060 0.000 1.007 512 S CA 0.955 59.143 58.200 -0.019 0.000 0.965 512 S CB -0.208 62.987 63.200 -0.008 0.000 0.773 512 S HN 0.468 nan 8.310 nan 0.000 0.504 513 K N 0.985 121.413 120.400 0.048 0.000 2.186 513 K HA 0.035 4.355 4.320 0.001 0.000 0.202 513 K C 2.270 178.955 176.600 0.141 0.000 1.052 513 K CA 1.238 57.588 56.287 0.105 0.000 0.965 513 K CB -0.116 32.385 32.500 0.002 0.000 0.746 513 K HN 0.424 nan 8.250 nan 0.000 0.457 514 S N 0.251 116.003 115.700 0.086 0.000 2.489 514 S HA -0.044 4.427 4.470 0.001 0.000 0.228 514 S C 0.369 175.086 174.600 0.196 0.000 0.995 514 S CA 0.355 58.614 58.200 0.098 0.000 0.934 514 S CB 0.121 63.405 63.200 0.140 0.000 0.771 514 S HN 0.088 nan 8.310 nan 0.000 0.522 515 D N 0.527 121.051 120.400 0.207 0.000 2.990 515 D HA 0.391 5.032 4.640 0.001 0.000 0.227 515 D C -2.629 173.713 176.300 0.069 0.000 1.249 515 D CA -1.941 52.156 54.000 0.162 0.000 0.891 515 D CB 2.336 43.198 40.800 0.103 0.000 1.647 515 D HN -0.205 nan 8.370 nan 0.000 0.530 516 P HA 0.055 nan 4.420 nan 0.000 0.220 516 P C 1.130 178.363 177.300 -0.112 0.000 1.152 516 P CA 0.597 63.544 63.100 -0.254 0.000 0.812 516 P CB 0.443 31.880 31.700 -0.439 0.000 0.792 517 C N -1.915 117.364 119.300 -0.035 0.000 2.563 517 C HA 0.203 4.663 4.460 0.001 0.000 0.268 517 C C 1.389 176.472 174.990 0.155 0.000 1.365 517 C CA -0.277 58.755 59.018 0.022 0.000 1.754 517 C CB -0.669 27.031 27.740 -0.067 0.000 1.932 517 C HN 0.057 nan 8.230 nan 0.000 0.536 518 V N 1.927 121.944 119.914 0.173 0.000 2.775 518 V HA 0.475 4.596 4.120 0.001 0.000 0.299 518 V C -0.592 175.539 176.094 0.061 0.000 1.062 518 V CA 0.030 62.399 62.300 0.115 0.000 1.063 518 V CB 1.491 33.312 31.823 -0.003 0.000 0.994 518 V HN 0.322 nan 8.190 nan 0.000 0.483 519 L N 5.809 127.071 121.223 0.064 0.000 2.439 519 L HA 0.718 5.059 4.340 0.001 0.000 0.270 519 L C -0.262 176.660 176.870 0.088 0.000 0.972 519 L CA 0.093 54.990 54.840 0.095 0.000 0.836 519 L CB 2.097 44.244 42.059 0.147 0.000 1.255 519 L HN 0.856 nan 8.230 nan 0.000 0.404 520 T N 1.851 116.450 114.554 0.075 0.000 2.807 520 T HA 0.831 5.181 4.350 0.001 0.000 0.279 520 T C -0.811 173.966 174.700 0.127 0.000 0.993 520 T CA -0.455 61.648 62.100 0.004 0.000 0.970 520 T CB 1.404 70.246 68.868 -0.042 0.000 0.950 520 T HN 0.674 nan 8.240 nan 0.000 0.441 521 Y N 0.028 120.366 120.300 0.063 0.000 2.641 521 Y HA 0.688 5.239 4.550 0.001 0.000 0.333 521 Y C -1.503 174.459 175.900 0.104 0.000 1.174 521 Y CA -1.812 56.330 58.100 0.071 0.000 1.057 521 Y CB 1.267 39.742 38.460 0.025 0.000 1.322 521 Y HN 0.661 nan 8.280 nan 0.000 0.457 522 M N 3.434 123.207 119.600 0.289 0.000 2.238 522 M HA 0.523 5.004 4.480 0.001 0.000 0.350 522 M C -0.072 176.404 176.300 0.294 0.000 1.138 522 M CA -0.644 54.738 55.300 0.137 0.000 1.040 522 M CB 1.888 34.503 32.600 0.026 0.000 1.639 522 M HN 0.880 nan 8.290 nan 0.000 0.451 523 S N 1.408 117.238 115.700 0.215 0.000 2.686 523 S HA 0.304 4.775 4.470 0.001 0.000 0.270 523 S C 0.708 175.401 174.600 0.155 0.000 1.194 523 S CA -0.794 57.566 58.200 0.266 0.000 0.990 523 S CB 1.042 64.365 63.200 0.205 0.000 1.029 523 S HN 0.757 nan 8.310 nan 0.000 0.560 524 E N 0.817 121.075 120.200 0.097 0.000 2.110 524 E HA -0.109 4.242 4.350 0.001 0.000 0.193 524 E C 1.692 178.244 176.600 -0.081 0.000 0.988 524 E CA 1.332 57.669 56.400 -0.104 0.000 0.804 524 E CB -0.263 29.267 29.700 -0.282 0.000 0.745 524 E HN 0.809 nan 8.360 nan 0.000 0.458 525 S N -0.183 115.494 115.700 -0.037 0.000 2.805 525 S HA 0.065 4.535 4.470 0.001 0.000 0.230 525 S C 1.484 176.063 174.600 -0.034 0.000 0.968 525 S CA 0.385 58.568 58.200 -0.028 0.000 0.976 525 S CB -0.298 62.907 63.200 0.009 0.000 0.787 525 S HN 0.392 nan 8.310 nan 0.000 0.533 526 G N 0.566 109.337 108.800 -0.049 0.000 2.180 526 G HA2 -0.296 3.664 3.960 0.001 0.000 0.263 526 G HA3 -0.296 3.664 3.960 0.001 0.000 0.263 526 G C -0.181 174.627 174.900 -0.153 0.000 0.989 526 G CA 0.437 45.484 45.100 -0.088 0.000 0.692 526 G HN 0.654 nan 8.290 nan 0.000 0.526 527 E N 0.337 120.478 120.200 -0.099 0.000 2.331 527 E HA 0.331 4.681 4.350 0.001 0.000 0.272 527 E C -0.110 176.387 176.600 -0.172 0.000 1.036 527 E CA -0.653 55.684 56.400 -0.104 0.000 0.864 527 E CB 0.573 30.270 29.700 -0.005 0.000 1.035 527 E HN 0.386 nan 8.360 nan 0.000 0.408 528 H N 2.657 121.698 119.070 -0.049 0.000 2.562 528 H HA 0.268 4.824 4.556 0.001 0.000 0.314 528 H C -0.066 175.145 175.328 -0.194 0.000 1.079 528 H CA -0.165 55.819 56.048 -0.106 0.000 1.349 528 H CB 0.551 30.269 29.762 -0.072 0.000 1.432 528 H HN 0.285 nan 8.280 nan 0.000 0.479 529 I N 2.719 123.132 120.570 -0.262 0.000 2.846 529 I HA 0.328 4.498 4.170 0.001 0.000 0.307 529 I C -0.005 175.898 176.117 -0.356 0.000 1.053 529 I CA -1.055 59.996 61.300 -0.414 0.000 1.050 529 I CB 1.962 39.455 38.000 -0.844 0.000 1.239 529 I HN 0.160 nan 8.210 nan 0.000 0.439 530 V N 2.807 122.596 119.914 -0.209 0.000 2.532 530 V HA 0.687 4.807 4.120 0.001 0.000 0.294 530 V C -0.039 176.030 176.094 -0.041 0.000 1.036 530 V CA -0.552 61.679 62.300 -0.115 0.000 0.876 530 V CB 1.505 33.271 31.823 -0.096 0.000 1.012 530 V HN 0.942 nan 8.190 nan 0.000 0.432 531 A N 3.400 126.235 122.820 0.024 0.000 2.340 531 A HA 1.013 5.333 4.320 0.001 0.000 0.331 531 A C 0.280 177.926 177.584 0.102 0.000 1.140 531 A CA 0.065 52.152 52.037 0.083 0.000 0.801 531 A CB 1.747 20.838 19.000 0.150 0.000 1.234 531 A HN 1.076 nan 8.150 nan 0.000 0.469 532 G N -0.776 108.108 108.800 0.140 0.000 3.042 532 G HA2 0.492 4.453 3.960 0.001 0.000 0.278 532 G HA3 0.492 4.453 3.960 0.001 0.000 0.278 532 G C 0.342 175.397 174.900 0.259 0.000 1.371 532 G CA 0.362 45.645 45.100 0.305 0.000 1.009 532 G HN 0.547 nan 8.290 nan 0.000 0.523 533 T N -0.734 113.995 114.554 0.291 0.000 3.035 533 T HA 0.380 4.731 4.350 0.001 0.000 0.259 533 T C 0.908 175.700 174.700 0.154 0.000 1.078 533 T CA 0.990 63.127 62.100 0.062 0.000 1.132 533 T CB 0.139 68.896 68.868 -0.185 0.000 0.900 533 T HN 0.990 nan 8.240 nan 0.000 0.480 534 G N -0.121 108.787 108.800 0.181 0.000 2.645 534 G HA2 0.453 4.414 3.960 0.001 0.000 0.292 534 G HA3 0.453 4.414 3.960 0.001 0.000 0.292 534 G C 0.133 175.112 174.900 0.133 0.000 1.415 534 G CA -0.368 44.816 45.100 0.140 0.000 0.785 534 G HN 0.012 nan 8.290 nan 0.000 0.483 535 E N -0.755 119.498 120.200 0.089 0.000 2.048 535 E HA -0.225 4.125 4.350 0.001 0.000 0.202 535 E C 2.352 179.016 176.600 0.107 0.000 1.021 535 E CA 1.945 58.458 56.400 0.189 0.000 0.825 535 E CB -0.128 29.720 29.700 0.246 0.000 0.756 535 E HN 0.332 nan 8.360 nan 0.000 0.454 536 L N 0.657 121.896 121.223 0.026 0.000 1.955 536 L HA -0.228 4.112 4.340 0.001 0.000 0.213 536 L C 2.493 179.336 176.870 -0.045 0.000 1.072 536 L CA 2.768 57.565 54.840 -0.072 0.000 0.755 536 L CB -1.035 40.905 42.059 -0.199 0.000 0.888 536 L HN 0.362 nan 8.230 nan 0.000 0.432 537 H N -1.006 118.015 119.070 -0.081 0.000 2.330 537 H HA -0.280 4.277 4.556 0.001 0.000 0.290 537 H C 1.968 177.300 175.328 0.006 0.000 1.111 537 H CA 2.740 58.779 56.048 -0.016 0.000 1.226 537 H CB -0.432 29.343 29.762 0.022 0.000 1.355 537 H HN 0.367 nan 8.280 nan 0.000 0.485 538 L N 0.340 121.559 121.223 -0.007 0.000 2.056 538 L HA -0.044 4.297 4.340 0.001 0.000 0.207 538 L C 2.369 179.193 176.870 -0.077 0.000 1.078 538 L CA 2.112 56.916 54.840 -0.060 0.000 0.749 538 L CB -0.932 41.156 42.059 0.048 0.000 0.901 538 L HN 0.327 nan 8.230 nan 0.000 0.433 539 E N 0.257 120.432 120.200 -0.042 0.000 2.035 539 E HA -0.269 4.081 4.350 0.001 0.000 0.204 539 E C 2.012 178.559 176.600 -0.089 0.000 1.025 539 E CA 2.402 58.768 56.400 -0.056 0.000 0.835 539 E CB -0.596 29.070 29.700 -0.057 0.000 0.764 539 E HN 0.507 nan 8.360 nan 0.000 0.457 540 I N 0.170 120.681 120.570 -0.099 0.000 2.053 540 I HA -0.444 3.726 4.170 0.001 0.000 0.236 540 I C 2.680 178.749 176.117 -0.080 0.000 1.038 540 I CA 1.851 63.116 61.300 -0.058 0.000 1.304 540 I CB -0.773 37.257 38.000 0.050 0.000 1.023 540 I HN 0.259 nan 8.210 nan 0.000 0.395 541 C N 0.403 119.624 119.300 -0.131 0.000 2.396 541 C HA -0.210 4.251 4.460 0.001 0.000 0.279 541 C C 2.754 177.679 174.990 -0.108 0.000 1.229 541 C CA 0.839 59.776 59.018 -0.135 0.000 1.801 541 C CB -1.482 26.121 27.740 -0.228 0.000 2.050 541 C HN 0.466 nan 8.230 nan 0.000 0.491 542 L N -0.017 121.137 121.223 -0.115 0.000 2.005 542 L HA -0.196 4.144 4.340 0.001 0.000 0.207 542 L C 2.817 179.579 176.870 -0.180 0.000 1.072 542 L CA 1.611 56.381 54.840 -0.116 0.000 0.744 542 L CB -0.887 41.116 42.059 -0.093 0.000 0.895 542 L HN 0.446 nan 8.230 nan 0.000 0.433 543 Q N 0.410 120.070 119.800 -0.234 0.000 1.985 543 Q HA -0.261 4.080 4.340 0.001 0.000 0.207 543 Q C 1.789 177.454 176.000 -0.558 0.000 0.996 543 Q CA 2.125 57.619 55.803 -0.515 0.000 0.851 543 Q CB -0.479 28.081 28.738 -0.297 0.000 0.921 543 Q HN 0.448 nan 8.270 nan 0.000 0.418 544 D N 0.475 120.752 120.400 -0.205 0.000 2.239 544 D HA -0.183 4.458 4.640 0.001 0.000 0.202 544 D C 1.568 177.922 176.300 0.092 0.000 0.993 544 D CA 0.859 54.833 54.000 -0.043 0.000 0.874 544 D CB -0.091 40.747 40.800 0.063 0.000 0.922 544 D HN 0.093 nan 8.370 nan 0.000 0.464 545 L N 0.241 121.514 121.223 0.084 0.000 2.102 545 L HA 0.046 4.387 4.340 0.001 0.000 0.202 545 L C 1.848 178.747 176.870 0.048 0.000 1.076 545 L CA 1.435 56.370 54.840 0.158 0.000 0.761 545 L CB -0.269 41.794 42.059 0.006 0.000 0.921 545 L HN -0.089 nan 8.230 nan 0.000 0.444 546 E N -1.821 118.348 120.200 -0.050 0.000 2.478 546 E HA -0.175 4.175 4.350 0.001 0.000 0.198 546 E C 1.355 178.080 176.600 0.208 0.000 1.046 546 E CA 0.794 57.212 56.400 0.030 0.000 0.870 546 E CB 0.033 29.738 29.700 0.007 0.000 0.818 546 E HN 0.733 nan 8.360 nan 0.000 0.527 547 H N -1.337 117.735 119.070 0.004 0.000 2.594 547 H HA 0.088 4.645 4.556 0.001 0.000 0.274 547 H C 0.922 176.222 175.328 -0.047 0.000 0.982 547 H CA 0.192 56.229 56.048 -0.018 0.000 1.228 547 H CB 0.633 30.384 29.762 -0.018 0.000 1.447 547 H HN 0.089 nan 8.280 nan 0.000 0.485 548 D N -0.297 120.122 120.400 0.033 0.000 3.013 548 D HA -0.013 4.628 4.640 0.001 0.000 0.256 548 D C 1.727 177.965 176.300 -0.104 0.000 1.573 548 D CA -0.015 53.923 54.000 -0.104 0.000 1.197 548 D CB -0.461 40.174 40.800 -0.275 0.000 1.041 548 D HN 0.231 nan 8.370 nan 0.000 0.304 549 H N 1.386 120.446 119.070 -0.016 0.000 2.312 549 H HA -0.206 4.351 4.556 0.001 0.000 0.285 549 H C 1.650 176.961 175.328 -0.028 0.000 1.120 549 H CA 2.401 58.431 56.048 -0.030 0.000 1.179 549 H CB -0.158 29.578 29.762 -0.044 0.000 1.349 549 H HN 0.261 nan 8.280 nan 0.000 0.473 550 A N -1.067 121.815 122.820 0.103 0.000 2.070 550 A HA 0.401 4.721 4.320 0.001 0.000 0.202 550 A C 2.112 179.715 177.584 0.032 0.000 1.277 550 A CA 1.058 53.121 52.037 0.044 0.000 0.872 550 A CB 0.043 19.055 19.000 0.020 0.000 0.933 550 A HN 0.523 nan 8.150 nan 0.000 0.475 551 G N -0.461 108.366 108.800 0.046 0.000 2.233 551 G HA2 -0.192 3.768 3.960 0.001 0.000 0.270 551 G HA3 -0.192 3.768 3.960 0.001 0.000 0.270 551 G C 0.188 175.113 174.900 0.042 0.000 1.011 551 G CA 0.644 45.773 45.100 0.049 0.000 0.762 551 G HN 0.954 nan 8.290 nan 0.000 0.511 552 V N 0.014 119.951 119.914 0.038 0.000 2.732 552 V HA 0.501 4.621 4.120 0.001 0.000 0.310 552 V C -1.903 174.212 176.094 0.036 0.000 1.053 552 V CA -1.969 60.348 62.300 0.028 0.000 0.957 552 V CB 2.073 33.906 31.823 0.016 0.000 1.018 552 V HN 0.009 nan 8.190 nan 0.000 0.452 553 P HA 0.199 nan 4.420 nan 0.000 0.263 553 P C -0.718 176.597 177.300 0.025 0.000 1.276 553 P CA 0.389 63.508 63.100 0.033 0.000 0.986 553 P CB -0.021 31.693 31.700 0.024 0.000 1.105 554 L N 3.078 124.317 121.223 0.026 0.000 2.360 554 L HA 0.450 4.790 4.340 0.001 0.000 0.271 554 L C 0.854 177.731 176.870 0.012 0.000 1.057 554 L CA -0.683 54.165 54.840 0.014 0.000 0.803 554 L CB 1.274 43.335 42.059 0.002 0.000 1.207 554 L HN 0.144 nan 8.230 nan 0.000 0.445 555 K N 2.508 122.914 120.400 0.009 0.000 2.339 555 K HA 0.459 4.780 4.320 0.001 0.000 0.264 555 K C -0.554 176.047 176.600 0.001 0.000 0.986 555 K CA -0.589 55.702 56.287 0.007 0.000 0.866 555 K CB 0.962 33.467 32.500 0.009 0.000 1.103 555 K HN 0.371 nan 8.250 nan 0.000 0.441 556 I N 0.868 121.436 120.570 -0.004 0.000 4.575 556 I HA 0.387 4.557 4.170 0.001 0.000 0.212 556 I C 0.396 176.506 176.117 -0.011 0.000 1.552 556 I CA -0.506 60.787 61.300 -0.010 0.000 1.147 556 I CB 0.615 38.605 38.000 -0.017 0.000 1.680 556 I HN 0.773 nan 8.210 nan 0.000 0.682 557 S N -1.019 114.672 115.700 -0.015 0.000 2.586 557 S HA 0.497 4.967 4.470 0.001 0.000 0.277 557 S C -3.018 171.567 174.600 -0.024 0.000 1.131 557 S CA -1.055 57.133 58.200 -0.019 0.000 0.848 557 S CB 0.689 63.876 63.200 -0.022 0.000 1.091 557 S HN 0.227 nan 8.310 nan 0.000 0.453 558 P HA 0.175 nan 4.420 nan 0.000 0.271 558 P C -2.493 174.782 177.300 -0.042 0.000 1.212 558 P CA -0.455 62.613 63.100 -0.053 0.000 0.788 558 P CB -0.366 31.297 31.700 -0.061 0.000 0.865 559 P HA 0.073 nan 4.420 nan 0.000 0.276 559 P C -1.035 176.292 177.300 0.045 0.000 1.235 559 P CA 0.316 63.412 63.100 -0.006 0.000 0.772 559 P CB 0.582 32.247 31.700 -0.060 0.000 0.871 560 V N 4.504 124.485 119.914 0.111 0.000 2.555 560 V HA 0.226 4.346 4.120 0.001 0.000 0.302 560 V C 0.459 176.655 176.094 0.169 0.000 1.038 560 V CA -0.940 61.449 62.300 0.148 0.000 0.887 560 V CB 2.358 34.256 31.823 0.125 0.000 0.991 560 V HN 0.285 nan 8.190 nan 0.000 0.434 561 V N 3.743 123.757 119.914 0.167 0.000 2.498 561 V HA 0.539 4.660 4.120 0.001 0.000 0.279 561 V C 0.752 176.779 176.094 -0.112 0.000 1.048 561 V CA -0.290 62.001 62.300 -0.014 0.000 0.967 561 V CB 1.503 33.231 31.823 -0.159 0.000 0.988 561 V HN 1.035 nan 8.190 nan 0.000 0.473 562 A N 5.445 128.211 122.820 -0.089 0.000 2.409 562 A HA 0.608 4.929 4.320 0.001 0.000 0.262 562 A C -0.836 176.732 177.584 -0.028 0.000 1.113 562 A CA 0.049 52.096 52.037 0.017 0.000 0.790 562 A CB -0.009 19.047 19.000 0.095 0.000 1.046 562 A HN 0.724 nan 8.150 nan 0.000 0.496 563 Y N 0.717 121.128 120.300 0.186 0.000 2.675 563 Y HA 0.751 5.301 4.550 0.001 0.000 0.328 563 Y C 0.501 176.370 175.900 -0.051 0.000 1.092 563 Y CA -0.620 57.620 58.100 0.234 0.000 1.190 563 Y CB 1.520 40.189 38.460 0.348 0.000 1.350 563 Y HN 0.668 nan 8.280 nan 0.000 0.525 564 R N 0.476 121.026 120.500 0.083 0.000 2.686 564 R HA 0.389 4.730 4.340 0.001 0.000 0.286 564 R C -1.604 174.705 176.300 0.015 0.000 0.969 564 R CA -0.961 55.011 56.100 -0.214 0.000 0.898 564 R CB 1.529 31.442 30.300 -0.645 0.000 1.183 564 R HN 0.615 nan 8.270 nan 0.000 0.456 565 E N 0.706 120.904 120.200 -0.003 0.000 2.133 565 E HA 0.405 4.756 4.350 0.001 0.000 0.274 565 E C -0.694 176.064 176.600 0.264 0.000 0.930 565 E CA -0.374 56.136 56.400 0.182 0.000 0.770 565 E CB 2.079 31.827 29.700 0.080 0.000 1.104 565 E HN 0.406 nan 8.360 nan 0.000 0.403 566 T N 1.028 115.748 114.554 0.277 0.000 2.838 566 T HA 0.571 4.922 4.350 0.001 0.000 0.292 566 T C -1.290 173.346 174.700 -0.107 0.000 1.113 566 T CA -0.686 61.508 62.100 0.157 0.000 1.008 566 T CB 1.468 70.360 68.868 0.041 0.000 1.259 566 T HN 0.255 nan 8.240 nan 0.000 0.520 567 V N 0.917 120.715 119.914 -0.194 0.000 2.715 567 V HA 0.773 4.894 4.120 0.001 0.000 0.310 567 V C 0.440 176.438 176.094 -0.161 0.000 1.054 567 V CA -0.572 61.530 62.300 -0.331 0.000 0.928 567 V CB 1.699 33.288 31.823 -0.390 0.000 1.007 567 V HN 0.914 nan 8.190 nan 0.000 0.437 568 E N 1.760 121.868 120.200 -0.153 0.000 2.431 568 E HA 0.259 4.609 4.350 0.001 0.000 0.200 568 E C 0.710 177.259 176.600 -0.085 0.000 0.995 568 E CA 0.891 57.236 56.400 -0.092 0.000 0.915 568 E CB 0.501 30.154 29.700 -0.078 0.000 0.930 568 E HN 1.111 nan 8.360 nan 0.000 0.496 569 S N -1.842 113.794 115.700 -0.107 0.000 2.790 569 S HA 0.358 4.828 4.470 0.001 0.000 0.292 569 S C -0.569 173.971 174.600 -0.100 0.000 1.197 569 S CA -1.091 57.054 58.200 -0.091 0.000 0.851 569 S CB 1.201 64.352 63.200 -0.083 0.000 1.217 569 S HN 0.051 nan 8.310 nan 0.000 0.526 570 E N 0.635 120.781 120.200 -0.090 0.000 2.349 570 E HA 0.460 4.810 4.350 0.001 0.000 0.265 570 E C -0.660 175.880 176.600 -0.100 0.000 1.064 570 E CA -0.526 55.821 56.400 -0.088 0.000 0.886 570 E CB 0.857 30.508 29.700 -0.082 0.000 1.036 570 E HN 0.564 nan 8.360 nan 0.000 0.413 571 S N 2.014 117.657 115.700 -0.096 0.000 2.546 571 S HA -0.100 4.370 4.470 0.001 0.000 0.290 571 S C 1.189 175.707 174.600 -0.136 0.000 1.290 571 S CA 0.307 58.435 58.200 -0.119 0.000 1.069 571 S CB 1.075 64.221 63.200 -0.090 0.000 0.846 571 S HN 0.688 nan 8.310 nan 0.000 0.495 572 S N 2.680 118.272 115.700 -0.180 0.000 2.389 572 S HA -0.211 4.259 4.470 0.001 0.000 0.231 572 S C 0.601 175.100 174.600 -0.168 0.000 1.052 572 S CA 1.801 59.894 58.200 -0.178 0.000 1.053 572 S CB -0.278 62.783 63.200 -0.233 0.000 0.886 572 S HN 0.871 nan 8.310 nan 0.000 0.456 573 Q N -1.517 118.160 119.800 -0.206 0.000 2.575 573 Q HA 0.467 4.807 4.340 0.001 0.000 0.290 573 Q C -1.181 174.764 176.000 -0.091 0.000 0.963 573 Q CA -0.987 54.730 55.803 -0.143 0.000 0.783 573 Q CB 0.671 29.305 28.738 -0.173 0.000 1.467 573 Q HN -0.022 nan 8.270 nan 0.000 0.402 574 T N 1.319 115.877 114.554 0.007 0.000 2.934 574 T HA 0.361 4.712 4.350 0.001 0.000 0.306 574 T C -0.136 174.686 174.700 0.203 0.000 1.042 574 T CA 0.611 62.766 62.100 0.092 0.000 1.145 574 T CB 0.359 69.313 68.868 0.143 0.000 0.982 574 T HN 0.591 nan 8.240 nan 0.000 0.544 575 A N 2.944 125.875 122.820 0.185 0.000 2.312 575 A HA 0.760 5.080 4.320 0.001 0.000 0.326 575 A C -0.621 176.990 177.584 0.044 0.000 1.172 575 A CA -0.699 51.499 52.037 0.268 0.000 0.821 575 A CB 0.670 19.796 19.000 0.209 0.000 1.166 575 A HN 0.719 nan 8.150 nan 0.000 0.493 576 L N 1.267 122.295 121.223 -0.324 0.000 2.393 576 L HA 0.894 5.235 4.340 0.001 0.000 0.260 576 L C -0.477 176.037 176.870 -0.594 0.000 1.002 576 L CA 0.102 54.564 54.840 -0.630 0.000 0.818 576 L CB 2.300 43.847 42.059 -0.853 0.000 1.369 576 L HN 0.634 nan 8.230 nan 0.000 0.412 577 S N 1.340 116.783 115.700 -0.429 0.000 2.535 577 S HA 0.702 5.172 4.470 0.001 0.000 0.272 577 S C -1.802 172.662 174.600 -0.226 0.000 1.149 577 S CA -0.840 57.211 58.200 -0.248 0.000 0.888 577 S CB 1.453 64.592 63.200 -0.103 0.000 1.110 577 S HN 0.793 nan 8.310 nan 0.000 0.463 578 K N 0.368 120.673 120.400 -0.158 0.000 2.328 578 K HA 0.772 5.092 4.320 0.001 0.000 0.246 578 K C 0.004 176.564 176.600 -0.068 0.000 0.955 578 K CA -0.788 55.430 56.287 -0.115 0.000 0.817 578 K CB 1.455 33.889 32.500 -0.110 0.000 1.208 578 K HN 0.526 nan 8.250 nan 0.000 0.432 579 S N 0.685 116.361 115.700 -0.040 0.000 2.587 579 S HA 0.084 4.555 4.470 0.001 0.000 0.260 579 S C -1.757 172.817 174.600 -0.043 0.000 1.353 579 S CA -0.794 57.390 58.200 -0.026 0.000 0.995 579 S CB 0.318 63.521 63.200 0.005 0.000 0.912 579 S HN 0.533 nan 8.310 nan 0.000 0.568 580 P HA -0.064 nan 4.420 nan 0.000 0.217 580 P C 1.247 178.501 177.300 -0.076 0.000 1.150 580 P CA 0.949 64.020 63.100 -0.049 0.000 0.832 580 P CB -0.109 31.570 31.700 -0.036 0.000 0.787 581 N N 0.156 118.817 118.700 -0.064 0.000 2.096 581 N HA -0.209 4.532 4.740 0.001 0.000 0.195 581 N C 0.654 175.946 175.510 -0.363 0.000 1.017 581 N CA 1.455 54.432 53.050 -0.122 0.000 0.870 581 N CB -0.352 38.165 38.487 0.050 0.000 1.024 581 N HN 0.205 nan 8.380 nan 0.000 0.434 582 K N -2.182 118.079 120.400 -0.231 0.000 3.456 582 K HA -0.134 4.186 4.320 0.001 0.000 0.297 582 K C -0.126 176.351 176.600 -0.206 0.000 1.371 582 K CA 0.531 56.691 56.287 -0.212 0.000 0.916 582 K CB -1.596 30.764 32.500 -0.234 0.000 1.413 582 K HN 0.422 nan 8.250 nan 0.000 0.474 583 H N 0.093 119.196 119.070 0.054 0.000 2.592 583 H HA 0.171 4.728 4.556 0.001 0.000 0.265 583 H C 0.215 175.593 175.328 0.083 0.000 0.955 583 H CA 0.347 56.452 56.048 0.095 0.000 1.175 583 H CB 0.401 30.285 29.762 0.203 0.000 1.433 583 H HN 0.339 nan 8.280 nan 0.000 0.537 584 N N 0.579 119.367 118.700 0.147 0.000 2.238 584 N HA 0.510 5.251 4.740 0.001 0.000 0.302 584 N C -0.700 174.831 175.510 0.034 0.000 1.072 584 N CA -0.613 52.501 53.050 0.106 0.000 0.792 584 N CB 2.280 40.827 38.487 0.100 0.000 1.425 584 N HN -0.053 nan 8.380 nan 0.000 0.478 585 R N 0.997 121.516 120.500 0.032 0.000 2.744 585 R HA 0.634 4.974 4.340 0.001 0.000 0.279 585 R C -1.105 175.165 176.300 -0.049 0.000 0.977 585 R CA -0.653 55.400 56.100 -0.078 0.000 0.906 585 R CB 2.125 32.355 30.300 -0.117 0.000 1.197 585 R HN 0.447 nan 8.270 nan 0.000 0.463 586 I N 2.467 122.925 120.570 -0.186 0.000 2.478 586 I HA 0.339 4.510 4.170 0.001 0.000 0.287 586 I C -1.257 174.753 176.117 -0.178 0.000 1.042 586 I CA -0.726 60.536 61.300 -0.063 0.000 1.067 586 I CB 1.621 39.607 38.000 -0.024 0.000 1.233 586 I HN 0.504 nan 8.210 nan 0.000 0.431 587 Y N 7.076 127.354 120.300 -0.038 0.000 2.352 587 Y HA 0.698 5.248 4.550 0.001 0.000 0.339 587 Y C -0.246 175.632 175.900 -0.037 0.000 0.992 587 Y CA -0.988 57.090 58.100 -0.036 0.000 1.100 587 Y CB 1.745 40.186 38.460 -0.032 0.000 1.192 587 Y HN 0.386 nan 8.280 nan 0.000 0.458 588 L N 0.173 121.466 121.223 0.117 0.000 2.630 588 L HA 0.783 5.124 4.340 0.001 0.000 0.258 588 L C -1.601 175.301 176.870 0.053 0.000 1.072 588 L CA -1.556 53.317 54.840 0.055 0.000 0.885 588 L CB 2.136 44.212 42.059 0.029 0.000 1.502 588 L HN 0.473 nan 8.230 nan 0.000 0.406 589 K N -0.061 120.352 120.400 0.021 0.000 2.502 589 K HA 0.933 5.253 4.320 0.001 0.000 0.257 589 K C -1.605 175.002 176.600 0.011 0.000 0.938 589 K CA -0.400 55.893 56.287 0.010 0.000 0.819 589 K CB 2.419 34.909 32.500 -0.017 0.000 1.333 589 K HN 1.143 nan 8.250 nan 0.000 0.434 590 A N 2.193 125.022 122.820 0.015 0.000 2.337 590 A HA 0.696 5.017 4.320 0.001 0.000 0.331 590 A C -1.287 176.285 177.584 -0.020 0.000 1.137 590 A CA -0.511 51.545 52.037 0.032 0.000 0.807 590 A CB 0.968 20.025 19.000 0.094 0.000 1.250 590 A HN 0.826 nan 8.150 nan 0.000 0.468 591 E N 0.512 120.703 120.200 -0.015 0.000 2.430 591 E HA 0.625 4.976 4.350 0.001 0.000 0.279 591 E C -3.172 173.416 176.600 -0.020 0.000 1.003 591 E CA -2.216 54.156 56.400 -0.047 0.000 0.801 591 E CB 1.545 31.201 29.700 -0.074 0.000 1.313 591 E HN 0.279 nan 8.360 nan 0.000 0.459 592 P HA 0.191 nan 4.420 nan 0.000 0.275 592 P C -0.521 176.798 177.300 0.033 0.000 1.228 592 P CA -0.256 62.843 63.100 -0.002 0.000 0.786 592 P CB 0.491 32.179 31.700 -0.020 0.000 0.927 593 I N 1.976 122.589 120.570 0.073 0.000 2.437 593 I HA 0.219 4.390 4.170 0.001 0.000 0.298 593 I C 0.418 176.600 176.117 0.107 0.000 0.984 593 I CA -0.545 60.833 61.300 0.130 0.000 1.214 593 I CB 0.991 39.077 38.000 0.143 0.000 1.365 593 I HN 0.207 nan 8.210 nan 0.000 0.469 594 D N 5.142 125.626 120.400 0.139 0.000 2.389 594 D HA -0.009 4.632 4.640 0.001 0.000 0.247 594 D C 1.146 177.509 176.300 0.105 0.000 1.128 594 D CA -0.148 53.923 54.000 0.119 0.000 0.884 594 D CB 1.519 42.412 40.800 0.155 0.000 1.194 594 D HN 0.427 nan 8.370 nan 0.000 0.441 595 E N 2.053 122.310 120.200 0.094 0.000 2.187 595 E HA -0.232 4.119 4.350 0.001 0.000 0.199 595 E C 1.391 178.052 176.600 0.102 0.000 1.004 595 E CA 1.206 57.664 56.400 0.097 0.000 0.813 595 E CB 0.229 29.988 29.700 0.098 0.000 0.736 595 E HN 0.549 nan 8.360 nan 0.000 0.468 596 E N -0.298 119.974 120.200 0.120 0.000 2.023 596 E HA -0.167 4.183 4.350 0.001 0.000 0.196 596 E C 2.211 178.831 176.600 0.033 0.000 1.003 596 E CA 1.767 58.255 56.400 0.148 0.000 0.809 596 E CB -0.035 29.821 29.700 0.259 0.000 0.755 596 E HN 0.146 nan 8.360 nan 0.000 0.449 597 V N 0.915 120.806 119.914 -0.038 0.000 2.407 597 V HA -0.230 3.891 4.120 0.001 0.000 0.248 597 V C 2.321 178.350 176.094 -0.109 0.000 1.055 597 V CA 1.722 63.880 62.300 -0.237 0.000 1.049 597 V CB -0.595 31.172 31.823 -0.093 0.000 0.662 597 V HN 0.130 nan 8.190 nan 0.000 0.455 598 S N 0.511 116.214 115.700 0.006 0.000 2.343 598 S HA -0.138 4.333 4.470 0.001 0.000 0.219 598 S C 1.940 176.573 174.600 0.055 0.000 1.033 598 S CA 1.529 59.756 58.200 0.044 0.000 1.014 598 S CB -0.449 62.792 63.200 0.070 0.000 0.915 598 S HN 0.349 nan 8.310 nan 0.000 0.435 599 L N 1.874 123.142 121.223 0.075 0.000 1.997 599 L HA -0.160 4.180 4.340 0.001 0.000 0.216 599 L C 2.711 179.616 176.870 0.058 0.000 1.074 599 L CA 2.005 56.903 54.840 0.096 0.000 0.763 599 L CB -1.709 40.416 42.059 0.110 0.000 0.890 599 L HN 0.328 nan 8.230 nan 0.000 0.434 600 A N -0.595 122.223 122.820 -0.004 0.000 1.927 600 A HA -0.246 4.075 4.320 0.001 0.000 0.220 600 A C 2.364 179.929 177.584 -0.031 0.000 1.185 600 A CA 2.231 54.236 52.037 -0.052 0.000 0.639 600 A CB -0.802 17.999 19.000 -0.332 0.000 0.820 600 A HN 0.436 nan 8.150 nan 0.000 0.451 601 I N -0.932 119.625 120.570 -0.022 0.000 2.252 601 I HA -0.227 3.943 4.170 0.001 0.000 0.245 601 I C 2.470 178.613 176.117 0.044 0.000 1.102 601 I CA 1.568 62.896 61.300 0.047 0.000 1.385 601 I CB -0.424 37.660 38.000 0.139 0.000 1.064 601 I HN 0.414 nan 8.210 nan 0.000 0.414 602 E N 0.685 120.924 120.200 0.064 0.000 2.204 602 E HA -0.145 4.206 4.350 0.001 0.000 0.194 602 E C 1.006 177.652 176.600 0.075 0.000 0.989 602 E CA 0.721 57.169 56.400 0.079 0.000 0.824 602 E CB -0.001 29.774 29.700 0.126 0.000 0.756 602 E HN 0.430 nan 8.360 nan 0.000 0.477 603 N N -0.440 118.303 118.700 0.072 0.000 2.276 603 N HA 0.046 4.787 4.740 0.001 0.000 0.212 603 N C 0.777 176.324 175.510 0.061 0.000 1.127 603 N CA 0.755 53.851 53.050 0.077 0.000 0.834 603 N CB 1.271 39.807 38.487 0.083 0.000 1.014 603 N HN 0.256 nan 8.380 nan 0.000 0.491 604 G N 1.055 109.877 108.800 0.038 0.000 2.245 604 G HA2 -0.323 3.637 3.960 0.001 0.000 0.264 604 G HA3 -0.323 3.637 3.960 0.001 0.000 0.264 604 G C 1.145 176.054 174.900 0.014 0.000 0.985 604 G CA 0.426 45.538 45.100 0.021 0.000 0.625 604 G HN 0.301 nan 8.290 nan 0.000 0.536 605 I N 1.149 121.737 120.570 0.030 0.000 2.091 605 I HA -0.090 4.080 4.170 0.001 0.000 0.239 605 I C 1.697 177.831 176.117 0.029 0.000 1.061 605 I CA 1.235 62.563 61.300 0.046 0.000 1.317 605 I CB -1.152 36.904 38.000 0.093 0.000 1.031 605 I HN 0.171 nan 8.210 nan 0.000 0.401 606 I N 2.871 123.441 120.570 0.000 0.000 2.291 606 I HA 0.158 4.329 4.170 0.001 0.000 0.292 606 I C 0.252 176.362 176.117 -0.012 0.000 1.064 606 I CA 0.024 61.333 61.300 0.015 0.000 1.269 606 I CB -0.156 37.842 38.000 -0.003 0.000 1.418 606 I HN 0.244 nan 8.210 nan 0.000 0.485 607 N N 8.641 127.312 118.700 -0.048 0.000 2.342 607 N HA 0.353 5.093 4.740 0.001 0.000 0.293 607 N C -2.152 173.175 175.510 -0.306 0.000 1.026 607 N CA -1.733 51.199 53.050 -0.196 0.000 0.857 607 N CB 3.076 41.507 38.487 -0.094 0.000 1.256 607 N HN 0.087 nan 8.380 nan 0.000 0.484 608 P HA -0.059 nan 4.420 nan 0.000 0.217 608 P C 0.547 177.759 177.300 -0.147 0.000 1.148 608 P CA 1.431 64.164 63.100 -0.611 0.000 0.828 608 P CB 0.346 31.623 31.700 -0.704 0.000 0.783 609 R N -1.536 118.892 120.500 -0.119 0.000 2.276 609 R HA 0.069 4.409 4.340 0.001 0.000 0.196 609 R C 0.435 176.744 176.300 0.014 0.000 0.961 609 R CA 0.037 56.119 56.100 -0.030 0.000 1.024 609 R CB -0.444 29.840 30.300 -0.027 0.000 0.940 609 R HN 0.252 nan 8.270 nan 0.000 0.480 610 D N 1.521 121.929 120.400 0.014 0.000 2.346 610 D HA -0.079 4.561 4.640 0.001 0.000 0.236 610 D C -0.221 176.126 176.300 0.078 0.000 1.259 610 D CA 0.236 54.259 54.000 0.038 0.000 0.898 610 D CB 0.298 41.119 40.800 0.035 0.000 1.178 610 D HN 0.014 nan 8.370 nan 0.000 0.457 611 D N -0.682 119.749 120.400 0.051 0.000 2.383 611 D HA 0.009 4.650 4.640 0.001 0.000 0.252 611 D C 1.201 177.532 176.300 0.052 0.000 1.166 611 D CA -0.409 53.623 54.000 0.053 0.000 0.879 611 D CB 0.199 40.972 40.800 -0.045 0.000 1.164 611 D HN 0.355 nan 8.370 nan 0.000 0.462 612 F N 2.980 122.957 119.950 0.045 0.000 2.154 612 F HA -0.167 4.360 4.527 0.001 0.000 0.301 612 F C 1.627 177.455 175.800 0.047 0.000 1.087 612 F CA 0.818 58.851 58.000 0.056 0.000 1.274 612 F CB -0.409 38.629 39.000 0.064 0.000 1.009 612 F HN 0.244 nan 8.300 nan 0.000 0.485 613 K N 1.150 121.047 120.400 -0.839 0.000 2.001 613 K HA -0.006 4.315 4.320 0.001 0.000 0.208 613 K C 2.576 179.048 176.600 -0.214 0.000 1.048 613 K CA 1.145 57.099 56.287 -0.554 0.000 0.932 613 K CB -0.660 31.441 32.500 -0.666 0.000 0.715 613 K HN 0.365 nan 8.250 nan 0.000 0.437 614 A N 1.929 124.644 122.820 -0.174 0.000 1.917 614 A HA -0.236 4.084 4.320 0.001 0.000 0.219 614 A C 2.160 179.726 177.584 -0.030 0.000 1.182 614 A CA 1.776 53.766 52.037 -0.078 0.000 0.633 614 A CB -0.566 18.400 19.000 -0.057 0.000 0.819 614 A HN 0.264 nan 8.150 nan 0.000 0.448 615 R N -0.527 119.967 120.500 -0.010 0.000 2.081 615 R HA -0.074 4.266 4.340 0.001 0.000 0.235 615 R C 2.312 178.621 176.300 0.015 0.000 1.131 615 R CA 1.402 57.516 56.100 0.025 0.000 0.960 615 R CB -0.409 29.933 30.300 0.070 0.000 0.856 615 R HN 0.446 nan 8.270 nan 0.000 0.436 616 A N 0.995 123.825 122.820 0.016 0.000 1.877 616 A HA -0.195 4.126 4.320 0.001 0.000 0.216 616 A C 2.158 179.766 177.584 0.041 0.000 1.186 616 A CA 1.548 53.606 52.037 0.035 0.000 0.620 616 A CB -0.530 18.508 19.000 0.063 0.000 0.822 616 A HN 0.271 nan 8.150 nan 0.000 0.443 617 R N 0.084 120.593 120.500 0.016 0.000 2.117 617 R HA -0.088 4.252 4.340 0.001 0.000 0.243 617 R C 1.777 178.100 176.300 0.038 0.000 1.143 617 R CA 1.859 57.971 56.100 0.019 0.000 0.968 617 R CB -0.698 29.597 30.300 -0.008 0.000 0.863 617 R HN 0.632 nan 8.270 nan 0.000 0.444 618 I N -0.642 119.956 120.570 0.047 0.000 2.233 618 I HA -0.252 3.918 4.170 0.001 0.000 0.243 618 I C 2.175 178.392 176.117 0.165 0.000 1.093 618 I CA 1.298 62.650 61.300 0.085 0.000 1.380 618 I CB -0.174 37.891 38.000 0.107 0.000 1.067 618 I HN 0.196 nan 8.210 nan 0.000 0.413 619 M N 0.197 119.875 119.600 0.129 0.000 2.229 619 M HA -0.153 4.327 4.480 0.001 0.000 0.264 619 M C 2.434 178.877 176.300 0.238 0.000 1.063 619 M CA 1.710 57.087 55.300 0.128 0.000 1.114 619 M CB -0.407 32.048 32.600 -0.242 0.000 1.387 619 M HN 0.312 nan 8.290 nan 0.000 0.420 620 A N 0.747 123.675 122.820 0.180 0.000 1.832 620 A HA -0.150 4.170 4.320 0.001 0.000 0.214 620 A C 1.727 179.388 177.584 0.127 0.000 1.204 620 A CA 1.791 53.939 52.037 0.185 0.000 0.606 620 A CB -0.713 18.363 19.000 0.126 0.000 0.849 620 A HN 0.336 nan 8.150 nan 0.000 0.445 621 D N 0.671 121.111 120.400 0.067 0.000 2.088 621 D HA -0.126 4.514 4.640 0.001 0.000 0.191 621 D C 1.098 177.367 176.300 -0.051 0.000 0.992 621 D CA 1.631 55.637 54.000 0.010 0.000 0.831 621 D CB -0.544 40.252 40.800 -0.008 0.000 0.973 621 D HN 0.445 nan 8.370 nan 0.000 0.447 622 D N -1.117 119.197 120.400 -0.144 0.000 2.355 622 D HA -0.048 4.593 4.640 0.001 0.000 0.218 622 D C 0.580 176.466 176.300 -0.690 0.000 1.004 622 D CA 0.423 54.157 54.000 -0.442 0.000 0.880 622 D CB 0.149 40.562 40.800 -0.646 0.000 0.911 622 D HN 0.376 nan 8.370 nan 0.000 0.528 623 Y N -0.357 120.003 120.300 0.100 0.000 2.738 623 Y HA 0.326 4.876 4.550 0.001 0.000 0.249 623 Y C 1.180 177.233 175.900 0.255 0.000 1.157 623 Y CA -0.743 57.455 58.100 0.163 0.000 1.189 623 Y CB 0.661 39.211 38.460 0.150 0.000 1.262 623 Y HN -0.114 nan 8.280 nan 0.000 0.554 624 G N 0.849 109.805 108.800 0.260 0.000 2.352 624 G HA2 -0.304 3.656 3.960 0.001 0.000 0.283 624 G HA3 -0.304 3.656 3.960 0.001 0.000 0.283 624 G C -0.571 174.495 174.900 0.276 0.000 0.946 624 G CA 0.046 45.270 45.100 0.208 0.000 1.317 624 G HN 0.369 nan 8.290 nan 0.000 0.478 625 W N -0.186 121.159 121.300 0.075 0.000 2.706 625 W HA 0.533 5.193 4.660 0.001 0.000 0.346 625 W C -0.143 176.400 176.519 0.039 0.000 1.071 625 W CA -0.895 56.484 57.345 0.058 0.000 1.206 625 W CB 1.359 30.863 29.460 0.073 0.000 1.413 625 W HN 0.168 nan 8.180 nan 0.000 0.542 626 D N 1.914 122.424 120.400 0.183 0.000 2.344 626 D HA -0.002 4.638 4.640 0.001 0.000 0.253 626 D C 1.265 177.688 176.300 0.205 0.000 1.255 626 D CA 0.300 54.376 54.000 0.127 0.000 0.894 626 D CB 1.578 42.398 40.800 0.033 0.000 1.067 626 D HN 0.198 nan 8.370 nan 0.000 0.492 627 V N 3.508 123.522 119.914 0.167 0.000 2.764 627 V HA -0.290 3.831 4.120 0.001 0.000 0.261 627 V C 2.004 178.186 176.094 0.147 0.000 1.108 627 V CA 2.021 64.413 62.300 0.152 0.000 1.129 627 V CB -0.205 31.677 31.823 0.099 0.000 0.701 627 V HN 0.609 nan 8.190 nan 0.000 0.495 628 T N -0.562 114.068 114.554 0.127 0.000 2.732 628 T HA -0.128 4.223 4.350 0.001 0.000 0.261 628 T C 1.584 176.362 174.700 0.131 0.000 1.040 628 T CA 1.600 63.765 62.100 0.107 0.000 1.145 628 T CB -0.266 68.641 68.868 0.065 0.000 0.866 628 T HN 0.579 nan 8.240 nan 0.000 0.427 629 D N 1.361 121.854 120.400 0.156 0.000 2.097 629 D HA -0.002 4.638 4.640 0.001 0.000 0.197 629 D C 2.388 178.857 176.300 0.282 0.000 0.984 629 D CA 1.203 55.318 54.000 0.192 0.000 0.826 629 D CB -0.501 40.408 40.800 0.183 0.000 0.973 629 D HN 0.362 nan 8.370 nan 0.000 0.460 630 A N 1.319 124.357 122.820 0.364 0.000 1.948 630 A HA -0.220 4.100 4.320 0.001 0.000 0.220 630 A C 2.095 179.780 177.584 0.168 0.000 1.177 630 A CA 1.392 53.546 52.037 0.195 0.000 0.636 630 A CB -0.597 18.481 19.000 0.130 0.000 0.815 630 A HN 0.156 nan 8.150 nan 0.000 0.449 631 R N -0.860 119.769 120.500 0.216 0.000 2.339 631 R HA 0.045 4.385 4.340 0.001 0.000 0.199 631 R C 0.743 177.190 176.300 0.246 0.000 1.018 631 R CA 0.847 57.141 56.100 0.323 0.000 1.036 631 R CB -0.050 30.450 30.300 0.333 0.000 0.899 631 R HN 0.383 nan 8.270 nan 0.000 0.473 632 K N 0.577 121.080 120.400 0.172 0.000 2.514 632 K HA 0.250 4.570 4.320 0.001 0.000 0.207 632 K C -0.292 176.388 176.600 0.133 0.000 1.035 632 K CA -0.194 56.171 56.287 0.130 0.000 1.113 632 K CB 0.616 33.151 32.500 0.058 0.000 0.846 632 K HN 0.047 nan 8.250 nan 0.000 0.491 633 I N 1.027 121.677 120.570 0.134 0.000 2.618 633 I HA -0.136 4.034 4.170 0.001 0.000 0.284 633 I C 0.608 176.868 176.117 0.238 0.000 1.146 633 I CA 0.116 61.462 61.300 0.076 0.000 1.425 633 I CB 0.471 38.450 38.000 -0.033 0.000 1.383 633 I HN 0.280 nan 8.210 nan 0.000 0.562 634 W N 6.028 127.264 121.300 -0.107 0.000 2.683 634 W HA 0.183 4.844 4.660 0.001 0.000 0.267 634 W C 0.541 177.042 176.519 -0.031 0.000 1.243 634 W CA -0.299 57.001 57.345 -0.076 0.000 1.380 634 W CB 0.096 29.495 29.460 -0.102 0.000 1.063 634 W HN 0.676 nan 8.180 nan 0.000 0.599 635 C N -3.035 116.354 119.300 0.148 0.000 3.045 635 C HA 0.540 5.000 4.460 0.001 0.000 0.338 635 C C -0.613 174.491 174.990 0.189 0.000 1.267 635 C CA -1.900 57.245 59.018 0.212 0.000 1.177 635 C CB -0.011 27.853 27.740 0.207 0.000 1.380 635 C HN -0.059 nan 8.230 nan 0.000 0.469 636 F N 1.060 121.094 119.950 0.139 0.000 2.518 636 F HA 0.888 5.415 4.527 0.001 0.000 0.338 636 F C 1.143 177.078 175.800 0.224 0.000 1.065 636 F CA 0.658 58.760 58.000 0.171 0.000 1.012 636 F CB 2.340 41.384 39.000 0.072 0.000 1.297 636 F HN 1.222 nan 8.300 nan 0.000 0.489 637 G N 0.713 109.733 108.800 0.367 0.000 2.579 637 G HA2 0.520 4.480 3.960 0.001 0.000 0.292 637 G HA3 0.520 4.480 3.960 0.001 0.000 0.292 637 G C -3.378 171.496 174.900 -0.042 0.000 1.484 637 G CA -1.183 43.975 45.100 0.097 0.000 0.813 637 G HN 0.206 nan 8.290 nan 0.000 0.515 638 P HA 0.230 nan 4.420 nan 0.000 0.293 638 P C -0.433 176.784 177.300 -0.138 0.000 1.298 638 P CA -0.109 62.873 63.100 -0.197 0.000 0.757 638 P CB 0.341 31.887 31.700 -0.257 0.000 1.262 639 D N -1.190 119.093 120.400 -0.194 0.000 2.702 639 D HA -0.216 4.424 4.640 0.001 0.000 0.233 639 D C 1.102 177.349 176.300 -0.088 0.000 1.164 639 D CA 1.575 55.480 54.000 -0.159 0.000 0.638 639 D CB -1.813 38.891 40.800 -0.159 0.000 1.041 639 D HN 0.843 nan 8.370 nan 0.000 0.422 640 G N 1.204 109.981 108.800 -0.039 0.000 2.216 640 G HA2 -0.427 3.534 3.960 0.001 0.000 0.269 640 G HA3 -0.427 3.534 3.960 0.001 0.000 0.269 640 G C 0.748 175.669 174.900 0.035 0.000 0.981 640 G CA 1.415 46.531 45.100 0.025 0.000 0.658 640 G HN 0.715 nan 8.290 nan 0.000 0.539 641 N N -0.610 118.091 118.700 0.002 0.000 2.082 641 N HA 0.338 5.078 4.740 0.001 0.000 0.228 641 N C 1.054 176.590 175.510 0.044 0.000 1.341 641 N CA 0.907 53.915 53.050 -0.070 0.000 0.873 641 N CB -0.405 37.986 38.487 -0.160 0.000 1.137 641 N HN 0.723 nan 8.380 nan 0.000 0.505 642 G N 1.215 110.063 108.800 0.080 0.000 2.750 642 G HA2 0.231 4.191 3.960 0.001 0.000 0.250 642 G HA3 0.231 4.191 3.960 0.001 0.000 0.250 642 G C -2.045 172.960 174.900 0.176 0.000 1.230 642 G CA -0.858 44.284 45.100 0.069 0.000 0.883 642 G HN 0.136 nan 8.290 nan 0.000 0.573 643 P HA 0.137 nan 4.420 nan 0.000 0.218 643 P C -1.053 176.314 177.300 0.111 0.000 1.793 643 P CA -0.187 62.990 63.100 0.129 0.000 0.941 643 P CB -0.349 31.395 31.700 0.074 0.000 1.919 644 N N 0.546 119.345 118.700 0.164 0.000 2.324 644 N HA 0.502 5.243 4.740 0.001 0.000 0.285 644 N C -0.901 174.774 175.510 0.275 0.000 1.076 644 N CA -0.585 52.598 53.050 0.223 0.000 0.864 644 N CB 1.909 40.524 38.487 0.214 0.000 1.632 644 N HN -0.026 nan 8.380 nan 0.000 0.478 645 L N 0.587 121.902 121.223 0.153 0.000 2.301 645 L HA 0.800 5.140 4.340 0.001 0.000 0.264 645 L C -0.862 175.820 176.870 -0.313 0.000 1.016 645 L CA -1.227 53.541 54.840 -0.121 0.000 0.821 645 L CB 2.001 43.928 42.059 -0.221 0.000 1.346 645 L HN 0.165 nan 8.230 nan 0.000 0.429 646 V N 2.884 122.528 119.914 -0.449 0.000 2.443 646 V HA 0.438 4.559 4.120 0.001 0.000 0.293 646 V C -0.445 175.503 176.094 -0.244 0.000 1.021 646 V CA -0.396 61.611 62.300 -0.489 0.000 0.848 646 V CB 1.836 33.277 31.823 -0.637 0.000 0.998 646 V HN 0.376 nan 8.190 nan 0.000 0.424 647 I N 3.473 123.913 120.570 -0.216 0.000 2.377 647 I HA 0.350 4.520 4.170 0.001 0.000 0.293 647 I C -0.081 175.824 176.117 -0.353 0.000 0.987 647 I CA -0.442 60.753 61.300 -0.175 0.000 1.185 647 I CB 1.777 39.755 38.000 -0.036 0.000 1.341 647 I HN 0.626 nan 8.210 nan 0.000 0.455 648 D N 6.111 126.207 120.400 -0.507 0.000 2.393 648 D HA 0.136 4.777 4.640 0.001 0.000 0.232 648 D C 0.202 176.307 176.300 -0.324 0.000 1.192 648 D CA 0.094 53.688 54.000 -0.678 0.000 0.882 648 D CB 0.661 40.867 40.800 -0.989 0.000 1.038 648 D HN 0.441 nan 8.370 nan 0.000 0.499 649 Q N 2.190 121.836 119.800 -0.257 0.000 2.189 649 Q HA 0.101 4.442 4.340 0.001 0.000 0.221 649 Q C 0.338 176.260 176.000 -0.130 0.000 0.848 649 Q CA -0.221 55.491 55.803 -0.152 0.000 1.007 649 Q CB 0.478 29.142 28.738 -0.123 0.000 1.116 649 Q HN 0.592 nan 8.270 nan 0.000 0.481 650 T N -0.547 113.914 114.554 -0.154 0.000 2.900 650 T HA 0.199 4.550 4.350 0.001 0.000 0.307 650 T C 0.087 174.747 174.700 -0.066 0.000 1.065 650 T CA -0.465 61.572 62.100 -0.104 0.000 1.105 650 T CB 1.048 69.858 68.868 -0.096 0.000 0.979 650 T HN -0.122 nan 8.240 nan 0.000 0.544 651 K N 1.607 121.974 120.400 -0.054 0.000 2.450 651 K HA 0.578 4.898 4.320 0.001 0.000 0.257 651 K C 0.318 176.900 176.600 -0.031 0.000 0.953 651 K CA -0.434 55.830 56.287 -0.039 0.000 0.844 651 K CB 1.486 33.959 32.500 -0.045 0.000 1.103 651 K HN 1.166 nan 8.250 nan 0.000 0.429 652 A N 1.581 124.391 122.820 -0.017 0.000 2.739 652 A HA -0.142 4.178 4.320 0.001 0.000 0.296 652 A C -0.099 177.472 177.584 -0.021 0.000 1.488 652 A CA 0.475 52.501 52.037 -0.017 0.000 0.746 652 A CB -2.046 16.937 19.000 -0.027 0.000 1.047 652 A HN 0.308 nan 8.150 nan 0.000 0.477 653 V N 1.899 121.812 119.914 -0.002 0.000 2.320 653 V HA 0.286 4.407 4.120 0.001 0.000 0.265 653 V C 0.744 176.838 176.094 0.000 0.000 1.048 653 V CA 0.388 62.689 62.300 0.002 0.000 0.865 653 V CB 1.236 33.078 31.823 0.030 0.000 1.043 653 V HN 0.792 nan 8.190 nan 0.000 0.474 654 Q N 4.143 123.887 119.800 -0.092 0.000 2.361 654 Q HA 0.031 4.372 4.340 0.001 0.000 0.276 654 Q C 0.025 175.935 176.000 -0.150 0.000 1.022 654 Q CA 0.154 55.825 55.803 -0.220 0.000 0.898 654 Q CB 0.236 28.667 28.738 -0.512 0.000 1.246 654 Q HN 0.707 nan 8.270 nan 0.000 0.410 655 Y N 0.188 120.497 120.300 0.016 0.000 4.894 655 Y HA -0.353 4.197 4.550 0.001 0.000 0.270 655 Y C 0.884 176.647 175.900 -0.229 0.000 0.930 655 Y CA 0.705 58.706 58.100 -0.164 0.000 1.814 655 Y CB -2.073 36.332 38.460 -0.092 0.000 1.235 655 Y HN 0.712 nan 8.280 nan 0.000 0.480 656 L N 1.774 123.074 121.223 0.129 0.000 2.030 656 L HA -0.298 4.043 4.340 0.001 0.000 0.222 656 L C 2.890 179.867 176.870 0.177 0.000 1.082 656 L CA 2.996 57.953 54.840 0.195 0.000 0.785 656 L CB -0.857 41.361 42.059 0.265 0.000 0.895 656 L HN 0.639 nan 8.230 nan 0.000 0.439 657 H N -1.094 118.082 119.070 0.176 0.000 2.489 657 H HA -0.119 4.438 4.556 0.001 0.000 0.295 657 H C 1.508 176.839 175.328 0.006 0.000 1.082 657 H CA 1.431 57.510 56.048 0.051 0.000 1.295 657 H CB -0.690 29.085 29.762 0.021 0.000 1.380 657 H HN 0.605 nan 8.280 nan 0.000 0.548 658 E N 1.077 121.033 120.200 -0.406 0.000 2.478 658 E HA 0.015 4.365 4.350 0.001 0.000 0.198 658 E C 1.799 178.345 176.600 -0.091 0.000 1.046 658 E CA 0.892 57.152 56.400 -0.233 0.000 0.870 658 E CB 0.111 29.636 29.700 -0.291 0.000 0.818 658 E HN 0.772 nan 8.360 nan 0.000 0.527 659 I N -2.919 117.637 120.570 -0.023 0.000 4.154 659 I HA 0.193 4.363 4.170 0.001 0.000 0.334 659 I C 1.924 178.065 176.117 0.040 0.000 1.371 659 I CA -0.345 60.974 61.300 0.032 0.000 1.110 659 I CB 0.278 38.335 38.000 0.095 0.000 1.085 659 I HN -0.196 nan 8.210 nan 0.000 0.398 660 K N 2.091 122.443 120.400 -0.080 0.000 2.009 660 K HA -0.216 4.104 4.320 0.001 0.000 0.210 660 K C 1.405 177.872 176.600 -0.222 0.000 1.049 660 K CA 2.587 58.648 56.287 -0.376 0.000 0.929 660 K CB -0.069 31.939 32.500 -0.819 0.000 0.714 660 K HN 0.337 nan 8.250 nan 0.000 0.440 661 D N 0.164 120.471 120.400 -0.154 0.000 2.149 661 D HA -0.124 4.516 4.640 0.001 0.000 0.198 661 D C 2.011 178.306 176.300 -0.008 0.000 0.990 661 D CA 1.172 55.123 54.000 -0.082 0.000 0.839 661 D CB -0.253 40.510 40.800 -0.061 0.000 0.948 661 D HN 0.180 nan 8.370 nan 0.000 0.460 662 S N 0.059 115.767 115.700 0.013 0.000 2.356 662 S HA -0.098 4.373 4.470 0.001 0.000 0.223 662 S C 2.388 177.048 174.600 0.100 0.000 1.032 662 S CA 0.602 58.834 58.200 0.053 0.000 1.005 662 S CB -0.269 62.959 63.200 0.048 0.000 0.867 662 S HN 0.088 nan 8.310 nan 0.000 0.449 663 V N 1.710 121.706 119.914 0.136 0.000 2.255 663 V HA -0.171 3.950 4.120 0.001 0.000 0.247 663 V C 2.350 178.582 176.094 0.231 0.000 1.051 663 V CA 1.622 64.054 62.300 0.220 0.000 1.018 663 V CB -0.852 31.215 31.823 0.407 0.000 0.641 663 V HN 0.335 nan 8.190 nan 0.000 0.445 664 V N 0.225 120.245 119.914 0.177 0.000 2.332 664 V HA -0.279 3.841 4.120 0.001 0.000 0.248 664 V C 2.704 178.910 176.094 0.187 0.000 1.055 664 V CA 2.046 64.457 62.300 0.184 0.000 1.038 664 V CB -1.251 30.614 31.823 0.070 0.000 0.651 664 V HN 0.568 nan 8.190 nan 0.000 0.450 665 A N 0.255 123.149 122.820 0.124 0.000 1.851 665 A HA -0.203 4.117 4.320 0.001 0.000 0.216 665 A C 2.476 180.164 177.584 0.173 0.000 1.195 665 A CA 2.489 54.595 52.037 0.115 0.000 0.622 665 A CB -1.086 17.977 19.000 0.105 0.000 0.831 665 A HN 0.610 nan 8.150 nan 0.000 0.444 666 A N -1.583 121.348 122.820 0.184 0.000 1.948 666 A HA -0.139 4.181 4.320 0.001 0.000 0.220 666 A C 2.055 179.764 177.584 0.208 0.000 1.177 666 A CA 1.857 54.004 52.037 0.184 0.000 0.636 666 A CB -0.746 18.332 19.000 0.130 0.000 0.815 666 A HN 0.684 nan 8.150 nan 0.000 0.449 667 F N 0.543 120.540 119.950 0.079 0.000 2.186 667 F HA -0.153 4.375 4.527 0.001 0.000 0.299 667 F C 2.425 178.249 175.800 0.039 0.000 1.090 667 F CA 1.843 59.883 58.000 0.067 0.000 1.307 667 F CB -0.131 38.919 39.000 0.082 0.000 1.019 667 F HN 0.222 nan 8.300 nan 0.000 0.489 668 Q N -1.114 118.674 119.800 -0.020 0.000 2.170 668 Q HA -0.230 4.110 4.340 0.001 0.000 0.203 668 Q C 2.166 177.985 176.000 -0.303 0.000 0.976 668 Q CA 1.808 57.483 55.803 -0.213 0.000 0.858 668 Q CB -1.003 27.601 28.738 -0.223 0.000 0.907 668 Q HN 0.621 nan 8.270 nan 0.000 0.433 669 W N 0.489 121.718 121.300 -0.118 0.000 2.481 669 W HA 0.041 4.701 4.660 0.001 0.000 0.293 669 W C 2.458 178.897 176.519 -0.134 0.000 1.201 669 W CA 0.774 58.050 57.345 -0.116 0.000 1.328 669 W CB -0.127 29.282 29.460 -0.085 0.000 1.112 669 W HN 0.125 nan 8.180 nan 0.000 0.546 670 A N 0.114 122.978 122.820 0.074 0.000 1.933 670 A HA -0.244 4.077 4.320 0.001 0.000 0.218 670 A C 1.871 179.386 177.584 -0.114 0.000 1.175 670 A CA 2.545 54.630 52.037 0.081 0.000 0.628 670 A CB -1.449 17.567 19.000 0.026 0.000 0.814 670 A HN 0.320 nan 8.150 nan 0.000 0.444 671 T N -2.741 111.582 114.554 -0.385 0.000 3.023 671 T HA -0.019 4.331 4.350 0.001 0.000 0.266 671 T C 1.758 176.289 174.700 -0.283 0.000 1.093 671 T CA 1.435 63.283 62.100 -0.420 0.000 1.129 671 T CB -0.049 68.454 68.868 -0.609 0.000 0.899 671 T HN 0.324 nan 8.240 nan 0.000 0.491 672 K N 2.184 122.449 120.400 -0.225 0.000 2.057 672 K HA 0.048 4.368 4.320 0.001 0.000 0.206 672 K C 0.435 176.963 176.600 -0.120 0.000 1.050 672 K CA 1.132 57.300 56.287 -0.198 0.000 0.935 672 K CB -0.025 32.324 32.500 -0.250 0.000 0.715 672 K HN 0.554 nan 8.250 nan 0.000 0.439 673 E N 0.056 120.237 120.200 -0.031 0.000 2.460 673 E HA 0.314 4.665 4.350 0.001 0.000 0.249 673 E C -0.831 175.682 176.600 -0.146 0.000 0.962 673 E CA -0.500 55.859 56.400 -0.070 0.000 0.787 673 E CB 1.374 31.093 29.700 0.032 0.000 1.341 673 E HN 0.348 nan 8.360 nan 0.000 0.407 674 G N 2.633 111.231 108.800 -0.337 0.000 2.606 674 G HA2 0.129 4.089 3.960 0.001 0.000 0.252 674 G HA3 0.129 4.089 3.960 0.001 0.000 0.252 674 G C -1.231 173.246 174.900 -0.706 0.000 1.206 674 G CA -0.971 43.738 45.100 -0.652 0.000 0.861 674 G HN 0.268 nan 8.290 nan 0.000 0.561 675 P HA -0.066 nan 4.420 nan 0.000 0.230 675 P C 1.639 178.828 177.300 -0.185 0.000 1.158 675 P CA 0.739 63.409 63.100 -0.716 0.000 0.769 675 P CB 0.284 31.436 31.700 -0.913 0.000 0.807 676 I N -0.326 120.210 120.570 -0.058 0.000 2.193 676 I HA -0.102 4.068 4.170 0.001 0.000 0.240 676 I C 1.549 177.861 176.117 0.326 0.000 1.084 676 I CA 1.534 62.944 61.300 0.183 0.000 1.365 676 I CB -0.283 37.898 38.000 0.301 0.000 1.064 676 I HN -0.071 nan 8.210 nan 0.000 0.410 677 F N -1.614 118.291 119.950 -0.074 0.000 2.438 677 F HA 0.542 5.070 4.527 0.001 0.000 0.381 677 F C 0.680 176.441 175.800 -0.065 0.000 1.448 677 F CA -0.262 57.716 58.000 -0.036 0.000 1.070 677 F CB -0.268 38.742 39.000 0.016 0.000 1.432 677 F HN 0.067 nan 8.300 nan 0.000 0.504 678 G N 0.090 108.778 108.800 -0.187 0.000 2.189 678 G HA2 -0.272 3.689 3.960 0.001 0.000 0.267 678 G HA3 -0.272 3.689 3.960 0.001 0.000 0.267 678 G C 0.172 174.861 174.900 -0.351 0.000 0.975 678 G CA 0.615 45.550 45.100 -0.276 0.000 0.644 678 G HN 0.488 nan 8.290 nan 0.000 0.537 679 E N 1.110 120.974 120.200 -0.559 0.000 2.374 679 E HA 0.305 4.655 4.350 0.001 0.000 0.260 679 E C 0.827 177.242 176.600 -0.307 0.000 1.101 679 E CA -0.355 55.761 56.400 -0.473 0.000 0.907 679 E CB 0.500 29.797 29.700 -0.671 0.000 1.014 679 E HN 0.614 nan 8.360 nan 0.000 0.427 680 E N 0.972 121.021 120.200 -0.252 0.000 2.418 680 E HA 0.010 4.360 4.350 0.001 0.000 0.261 680 E C 0.065 176.517 176.600 -0.247 0.000 1.070 680 E CA 0.317 56.569 56.400 -0.247 0.000 0.931 680 E CB 0.534 30.087 29.700 -0.245 0.000 0.954 680 E HN 0.234 nan 8.360 nan 0.000 0.439 681 M N 1.799 121.257 119.600 -0.236 0.000 2.342 681 M HA 0.347 4.827 4.480 0.001 0.000 0.332 681 M C 0.027 176.237 176.300 -0.151 0.000 1.166 681 M CA -0.145 55.055 55.300 -0.166 0.000 1.086 681 M CB 1.333 33.831 32.600 -0.169 0.000 1.541 681 M HN 0.323 nan 8.290 nan 0.000 0.462 682 R N 0.221 120.665 120.500 -0.092 0.000 2.564 682 R HA 0.329 4.669 4.340 0.001 0.000 0.284 682 R C -0.853 175.433 176.300 -0.023 0.000 1.031 682 R CA -0.104 55.922 56.100 -0.123 0.000 0.904 682 R CB 1.348 31.458 30.300 -0.316 0.000 1.199 682 R HN 0.815 nan 8.270 nan 0.000 0.443 683 S N 0.741 116.450 115.700 0.015 0.000 3.749 683 S HA -0.123 4.347 4.470 0.001 0.000 0.348 683 S C -0.530 174.123 174.600 0.089 0.000 1.045 683 S CA 0.761 58.994 58.200 0.056 0.000 1.051 683 S CB -1.444 61.779 63.200 0.038 0.000 0.898 683 S HN 0.365 nan 8.310 nan 0.000 0.472 684 V N 1.494 121.487 119.914 0.132 0.000 2.448 684 V HA 0.558 4.678 4.120 0.001 0.000 0.295 684 V C 0.451 176.669 176.094 0.206 0.000 1.025 684 V CA -0.677 61.731 62.300 0.180 0.000 0.859 684 V CB 1.876 33.867 31.823 0.280 0.000 0.988 684 V HN 0.491 nan 8.190 nan 0.000 0.431 685 R N 3.449 124.040 120.500 0.152 0.000 2.460 685 R HA 0.791 5.131 4.340 0.001 0.000 0.303 685 R C -1.755 174.600 176.300 0.090 0.000 0.968 685 R CA -0.408 55.766 56.100 0.123 0.000 0.889 685 R CB 1.894 32.249 30.300 0.091 0.000 1.123 685 R HN 0.514 nan 8.270 nan 0.000 0.455 686 V N 4.255 124.186 119.914 0.030 0.000 2.447 686 V HA 0.277 4.397 4.120 0.001 0.000 0.292 686 V C -0.994 175.041 176.094 -0.097 0.000 1.021 686 V CA -0.918 61.379 62.300 -0.005 0.000 0.850 686 V CB 1.674 33.513 31.823 0.026 0.000 1.005 686 V HN 0.852 nan 8.190 nan 0.000 0.426 687 N N 4.912 123.565 118.700 -0.078 0.000 2.437 687 N HA 0.544 5.285 4.740 0.001 0.000 0.259 687 N C -0.576 174.863 175.510 -0.119 0.000 0.983 687 N CA -0.518 52.462 53.050 -0.117 0.000 0.937 687 N CB 1.619 40.045 38.487 -0.100 0.000 1.122 687 N HN 0.583 nan 8.380 nan 0.000 0.499 688 I N 3.486 123.943 120.570 -0.189 0.000 2.421 688 I HA 0.003 4.174 4.170 0.001 0.000 0.291 688 I C 1.065 177.103 176.117 -0.132 0.000 1.089 688 I CA -0.094 61.106 61.300 -0.168 0.000 1.354 688 I CB 0.598 38.422 38.000 -0.294 0.000 1.413 688 I HN 0.566 nan 8.210 nan 0.000 0.513 689 L N 4.332 125.521 121.223 -0.056 0.000 2.202 689 L HA 0.167 4.507 4.340 0.001 0.000 0.205 689 L C 0.450 177.280 176.870 -0.067 0.000 1.083 689 L CA 0.862 55.666 54.840 -0.058 0.000 0.790 689 L CB -0.168 41.872 42.059 -0.032 0.000 0.942 689 L HN 0.619 nan 8.230 nan 0.000 0.452 690 D N -2.004 118.393 120.400 -0.005 0.000 2.622 690 D HA 0.553 5.194 4.640 0.001 0.000 0.255 690 D C -1.496 174.898 176.300 0.157 0.000 1.246 690 D CA -0.195 53.796 54.000 -0.014 0.000 0.795 690 D CB 2.712 43.371 40.800 -0.236 0.000 1.369 690 D HN -0.295 nan 8.370 nan 0.000 0.425 691 V N 0.414 120.399 119.914 0.119 0.000 2.969 691 V HA 0.702 4.822 4.120 0.001 0.000 0.304 691 V C -0.693 175.487 176.094 0.143 0.000 1.192 691 V CA -0.808 61.590 62.300 0.163 0.000 0.962 691 V CB 2.049 33.933 31.823 0.101 0.000 1.045 691 V HN 0.787 nan 8.190 nan 0.000 0.428 692 T N 2.208 116.862 114.554 0.167 0.000 2.879 692 T HA 0.852 5.202 4.350 0.001 0.000 0.290 692 T C -1.083 173.696 174.700 0.132 0.000 0.993 692 T CA -0.563 61.618 62.100 0.134 0.000 0.975 692 T CB 1.206 70.166 68.868 0.154 0.000 0.981 692 T HN 0.443 nan 8.240 nan 0.000 0.439 693 L N 2.197 123.504 121.223 0.139 0.000 2.341 693 L HA 0.534 4.874 4.340 0.001 0.000 0.267 693 L C 0.108 177.089 176.870 0.184 0.000 1.009 693 L CA -1.466 53.478 54.840 0.173 0.000 0.819 693 L CB 2.035 44.220 42.059 0.210 0.000 1.323 693 L HN 0.810 nan 8.230 nan 0.000 0.425 694 H N 0.474 119.598 119.070 0.090 0.000 2.764 694 H HA 0.150 4.707 4.556 0.001 0.000 0.341 694 H C 0.897 176.257 175.328 0.053 0.000 1.072 694 H CA 0.524 56.590 56.048 0.030 0.000 1.444 694 H CB 1.686 31.419 29.762 -0.047 0.000 1.458 694 H HN 0.754 nan 8.280 nan 0.000 0.572 695 A N 4.067 126.939 122.820 0.087 0.000 1.978 695 A HA -0.123 4.198 4.320 0.001 0.000 0.220 695 A C 0.525 178.205 177.584 0.160 0.000 1.170 695 A CA 1.355 53.554 52.037 0.270 0.000 0.636 695 A CB -0.100 18.996 19.000 0.161 0.000 0.810 695 A HN 0.801 nan 8.150 nan 0.000 0.448 696 D N -0.281 120.375 120.400 0.427 0.000 2.295 696 D HA 0.459 5.099 4.640 0.001 0.000 0.248 696 D C 1.157 177.375 176.300 -0.137 0.000 1.154 696 D CA 0.595 54.615 54.000 0.033 0.000 0.857 696 D CB 1.539 42.312 40.800 -0.045 0.000 1.117 696 D HN 0.181 nan 8.370 nan 0.000 0.468 697 A N 4.170 126.873 122.820 -0.195 0.000 1.986 697 A HA -0.157 4.164 4.320 0.001 0.000 0.220 697 A C 1.412 178.906 177.584 -0.149 0.000 1.171 697 A CA 0.743 52.667 52.037 -0.188 0.000 0.640 697 A CB -0.507 18.383 19.000 -0.183 0.000 0.811 697 A HN 0.626 nan 8.150 nan 0.000 0.451 701 G N -0.202 108.578 108.800 -0.034 0.000 2.716 701 G HA2 0.263 4.224 3.960 0.001 0.000 0.251 701 G HA3 0.263 4.224 3.960 0.001 0.000 0.251 701 G C 1.197 176.092 174.900 -0.010 0.000 1.224 701 G CA 0.128 45.212 45.100 -0.027 0.000 0.891 701 G HN 0.140 nan 8.290 nan 0.000 0.561 702 G N -0.052 108.744 108.800 -0.006 0.000 2.513 702 G HA2 -0.121 3.840 3.960 0.001 0.000 0.219 702 G HA3 -0.121 3.840 3.960 0.001 0.000 0.219 702 G C 1.853 176.756 174.900 0.005 0.000 1.160 702 G CA 1.582 46.685 45.100 0.007 0.000 0.767 702 G HN 1.043 nan 8.290 nan 0.000 0.571 703 G N -0.477 108.320 108.800 -0.005 0.000 2.475 703 G HA2 -0.167 3.794 3.960 0.001 0.000 0.220 703 G HA3 -0.167 3.794 3.960 0.001 0.000 0.220 703 G C 1.875 176.769 174.900 -0.010 0.000 1.125 703 G CA 1.305 46.398 45.100 -0.011 0.000 0.755 703 G HN 0.404 nan 8.290 nan 0.000 0.565 704 Q N -0.237 119.561 119.800 -0.004 0.000 2.036 704 Q HA 0.093 4.433 4.340 0.001 0.000 0.195 704 Q C 2.738 178.743 176.000 0.009 0.000 0.971 704 Q CA 0.482 56.287 55.803 0.002 0.000 0.826 704 Q CB -0.458 28.288 28.738 0.012 0.000 0.896 704 Q HN 0.435 nan 8.270 nan 0.000 0.449 705 I N 1.246 121.828 120.570 0.019 0.000 2.252 705 I HA -0.212 3.959 4.170 0.001 0.000 0.245 705 I C 2.309 178.444 176.117 0.031 0.000 1.102 705 I CA 0.828 62.147 61.300 0.032 0.000 1.385 705 I CB -0.612 37.417 38.000 0.048 0.000 1.064 705 I HN 0.129 nan 8.210 nan 0.000 0.414 706 I N 0.796 121.383 120.570 0.029 0.000 2.113 706 I HA -0.284 3.887 4.170 0.001 0.000 0.242 706 I C -0.286 175.831 176.117 -0.000 0.000 1.064 706 I CA 1.950 63.270 61.300 0.032 0.000 1.320 706 I CB -1.957 36.064 38.000 0.035 0.000 1.028 706 I HN 0.203 nan 8.210 nan 0.000 0.406 707 P HA -0.082 nan 4.420 nan 0.000 0.219 707 P C 1.571 178.843 177.300 -0.047 0.000 1.150 707 P CA 1.391 64.459 63.100 -0.055 0.000 0.814 707 P CB -0.165 31.506 31.700 -0.048 0.000 0.787 708 T N -0.112 114.428 114.554 -0.024 0.000 2.607 708 T HA -0.237 4.114 4.350 0.001 0.000 0.267 708 T C 1.754 176.443 174.700 -0.020 0.000 1.049 708 T CA 1.823 63.908 62.100 -0.024 0.000 1.162 708 T CB -0.921 67.938 68.868 -0.015 0.000 0.863 708 T HN 0.027 nan 8.240 nan 0.000 0.424 709 M N 1.278 120.884 119.600 0.009 0.000 2.082 709 M HA -0.055 4.426 4.480 0.001 0.000 0.258 709 M C 2.194 178.502 176.300 0.014 0.000 1.069 709 M CA 1.505 56.830 55.300 0.041 0.000 1.102 709 M CB -0.620 32.037 32.600 0.094 0.000 1.336 709 M HN 0.018 nan 8.290 nan 0.000 0.404 710 R N -0.408 120.056 120.500 -0.060 0.000 2.081 710 R HA -0.121 4.219 4.340 0.001 0.000 0.235 710 R C 2.229 178.292 176.300 -0.394 0.000 1.131 710 R CA 1.739 57.693 56.100 -0.244 0.000 0.960 710 R CB -0.168 29.939 30.300 -0.321 0.000 0.856 710 R HN 0.463 nan 8.270 nan 0.000 0.436 711 R N -0.423 119.948 120.500 -0.216 0.000 2.090 711 R HA 0.010 4.351 4.340 0.001 0.000 0.228 711 R C 2.309 178.644 176.300 0.057 0.000 1.110 711 R CA 0.983 57.037 56.100 -0.077 0.000 0.973 711 R CB -0.261 30.098 30.300 0.099 0.000 0.869 711 R HN 0.186 nan 8.270 nan 0.000 0.440 712 A N 0.964 123.803 122.820 0.032 0.000 1.883 712 A HA -0.168 4.152 4.320 0.001 0.000 0.217 712 A C 2.204 179.867 177.584 0.131 0.000 1.186 712 A CA 2.016 54.092 52.037 0.066 0.000 0.624 712 A CB -0.952 18.055 19.000 0.012 0.000 0.822 712 A HN 0.242 nan 8.150 nan 0.000 0.444 713 T N -0.999 113.629 114.554 0.123 0.000 2.684 713 T HA -0.177 4.173 4.350 0.001 0.000 0.267 713 T C 1.814 176.694 174.700 0.300 0.000 1.036 713 T CA 1.807 64.036 62.100 0.215 0.000 1.148 713 T CB -0.465 68.550 68.868 0.246 0.000 0.863 713 T HN 0.478 nan 8.240 nan 0.000 0.436 714 Y N 1.499 121.765 120.300 -0.057 0.000 2.181 714 Y HA 0.021 4.572 4.550 0.001 0.000 0.288 714 Y C 2.759 178.701 175.900 0.069 0.000 1.146 714 Y CA 0.055 58.039 58.100 -0.193 0.000 1.164 714 Y CB -1.386 36.615 38.460 -0.765 0.000 0.982 714 Y HN 0.212 nan 8.280 nan 0.000 0.515 715 A N 0.048 123.080 122.820 0.353 0.000 1.865 715 A HA -0.139 4.182 4.320 0.001 0.000 0.217 715 A C 2.706 180.485 177.584 0.325 0.000 1.191 715 A CA 2.011 54.325 52.037 0.463 0.000 0.623 715 A CB -1.479 17.823 19.000 0.503 0.000 0.826 715 A HN 0.448 nan 8.150 nan 0.000 0.444 716 G N -1.120 107.831 108.800 0.253 0.000 2.491 716 G HA2 -0.291 3.669 3.960 0.001 0.000 0.218 716 G HA3 -0.291 3.669 3.960 0.001 0.000 0.218 716 G C 1.514 176.511 174.900 0.162 0.000 1.180 716 G CA 1.261 46.460 45.100 0.165 0.000 0.774 716 G HN 0.519 nan 8.290 nan 0.000 0.562 717 F N 0.688 120.682 119.950 0.073 0.000 2.065 717 F HA -0.131 4.397 4.527 0.001 0.000 0.298 717 F C 2.372 178.187 175.800 0.025 0.000 1.112 717 F CA 1.255 59.279 58.000 0.040 0.000 1.212 717 F CB -0.175 38.842 39.000 0.028 0.000 0.975 717 F HN 0.030 nan 8.300 nan 0.000 0.476 718 L N 0.330 121.768 121.223 0.358 0.000 2.261 718 L HA -0.176 4.165 4.340 0.001 0.000 0.216 718 L C 2.083 178.983 176.870 0.049 0.000 1.114 718 L CA 1.477 56.464 54.840 0.246 0.000 0.777 718 L CB -1.323 40.972 42.059 0.393 0.000 0.910 718 L HN 0.322 nan 8.230 nan 0.000 0.440 719 L N -1.344 119.854 121.223 -0.043 0.000 2.509 719 L HA 0.080 4.420 4.340 0.001 0.000 0.222 719 L C 1.745 178.502 176.870 -0.188 0.000 1.123 719 L CA 0.311 55.019 54.840 -0.220 0.000 0.856 719 L CB -0.252 41.600 42.059 -0.344 0.000 0.985 719 L HN 0.158 nan 8.230 nan 0.000 0.456 720 A N -0.464 122.245 122.820 -0.185 0.000 2.476 720 A HA 0.080 4.401 4.320 0.001 0.000 0.263 720 A C 0.116 177.563 177.584 -0.228 0.000 1.342 720 A CA -0.127 51.790 52.037 -0.201 0.000 0.926 720 A CB -0.432 18.445 19.000 -0.205 0.000 1.019 720 A HN 0.407 nan 8.150 nan 0.000 0.515 721 D N -0.759 119.525 120.400 -0.193 0.000 3.357 721 D HA -0.093 4.547 4.640 0.001 0.000 0.238 721 D C -2.715 173.455 176.300 -0.216 0.000 1.126 721 D CA 0.240 54.144 54.000 -0.159 0.000 0.984 721 D CB -0.837 39.891 40.800 -0.120 0.000 0.925 721 D HN 0.294 nan 8.370 nan 0.000 0.414 722 P HA 0.325 nan 4.420 nan 0.000 0.267 722 P C -0.479 176.750 177.300 -0.118 0.000 1.200 722 P CA 0.186 63.128 63.100 -0.263 0.000 0.772 722 P CB 0.613 32.248 31.700 -0.108 0.000 0.855 723 K N 1.053 121.409 120.400 -0.074 0.000 2.575 723 K HA 0.590 4.910 4.320 0.001 0.000 0.279 723 K C -1.009 175.626 176.600 0.058 0.000 0.969 723 K CA -0.662 55.617 56.287 -0.014 0.000 0.868 723 K CB 1.539 34.023 32.500 -0.028 0.000 1.457 723 K HN 0.457 nan 8.250 nan 0.000 0.426 724 I N -1.390 119.220 120.570 0.066 0.000 2.530 724 I HA 0.515 4.686 4.170 0.001 0.000 0.297 724 I C -0.972 175.241 176.117 0.160 0.000 1.011 724 I CA -0.675 60.709 61.300 0.140 0.000 1.107 724 I CB 2.017 40.094 38.000 0.129 0.000 1.285 724 I HN 0.412 nan 8.210 nan 0.000 0.436 725 Q N 4.586 124.515 119.800 0.216 0.000 2.274 725 Q HA 0.402 4.743 4.340 0.001 0.000 0.260 725 Q C -1.058 175.259 176.000 0.529 0.000 0.974 725 Q CA -0.742 55.226 55.803 0.275 0.000 0.876 725 Q CB 2.414 31.264 28.738 0.186 0.000 1.297 725 Q HN 0.763 nan 8.270 nan 0.000 0.446 726 E N 2.110 122.591 120.200 0.469 0.000 2.221 726 E HA 0.561 4.912 4.350 0.001 0.000 0.268 726 E C -2.629 174.081 176.600 0.183 0.000 0.933 726 E CA -2.355 54.298 56.400 0.422 0.000 0.809 726 E CB 1.731 31.636 29.700 0.342 0.000 1.190 726 E HN 0.188 nan 8.360 nan 0.000 0.406 727 P HA 0.130 nan 4.420 nan 0.000 0.278 727 P C -0.698 176.324 177.300 -0.465 0.000 1.238 727 P CA -0.450 62.334 63.100 -0.527 0.000 0.794 727 P CB 1.314 32.612 31.700 -0.670 0.000 0.955 728 V N 2.592 122.169 119.914 -0.562 0.000 2.841 728 V HA 0.393 4.513 4.120 0.001 0.000 0.310 728 V C -0.359 175.431 176.094 -0.506 0.000 1.090 728 V CA -0.517 61.521 62.300 -0.436 0.000 0.930 728 V CB 1.718 33.449 31.823 -0.152 0.000 1.014 728 V HN 0.325 nan 8.190 nan 0.000 0.425 729 F N 2.994 122.822 119.950 -0.204 0.000 2.399 729 F HA 0.540 5.068 4.527 0.001 0.000 0.334 729 F C 0.175 175.912 175.800 -0.105 0.000 1.097 729 F CA -1.042 56.838 58.000 -0.200 0.000 1.076 729 F CB 1.513 40.395 39.000 -0.197 0.000 1.162 729 F HN 0.262 nan 8.300 nan 0.000 0.495 730 L N 5.113 126.413 121.223 0.127 0.000 2.272 730 L HA 0.492 4.833 4.340 0.001 0.000 0.284 730 L C -1.171 175.690 176.870 -0.014 0.000 1.045 730 L CA -0.520 54.384 54.840 0.107 0.000 0.842 730 L CB 0.767 42.867 42.059 0.069 0.000 1.224 730 L HN 0.421 nan 8.230 nan 0.000 0.430 731 V N 6.326 126.206 119.914 -0.057 0.000 2.350 731 V HA 0.321 4.441 4.120 0.001 0.000 0.276 731 V C -0.085 175.953 176.094 -0.093 0.000 1.028 731 V CA -0.413 61.826 62.300 -0.102 0.000 0.860 731 V CB 1.773 33.517 31.823 -0.132 0.000 0.990 731 V HN 0.857 nan 8.190 nan 0.000 0.453 732 E N 6.552 126.695 120.200 -0.095 0.000 2.197 732 E HA 0.557 4.907 4.350 0.001 0.000 0.281 732 E C -1.180 175.376 176.600 -0.073 0.000 0.995 732 E CA -0.567 55.786 56.400 -0.077 0.000 0.808 732 E CB 1.326 30.988 29.700 -0.064 0.000 1.093 732 E HN 0.732 nan 8.360 nan 0.000 0.394 733 I N 3.439 123.982 120.570 -0.044 0.000 2.582 733 I HA 0.209 4.379 4.170 0.001 0.000 0.292 733 I C -0.721 175.415 176.117 0.033 0.000 1.066 733 I CA -1.024 60.259 61.300 -0.028 0.000 1.053 733 I CB 2.113 40.089 38.000 -0.041 0.000 1.241 733 I HN 0.441 nan 8.210 nan 0.000 0.421 734 Q N 4.125 123.982 119.800 0.096 0.000 2.271 734 Q HA 0.643 4.984 4.340 0.001 0.000 0.258 734 Q C -1.198 174.863 176.000 0.102 0.000 0.936 734 Q CA -0.112 55.769 55.803 0.131 0.000 0.909 734 Q CB 1.978 30.836 28.738 0.199 0.000 1.253 734 Q HN 0.699 nan 8.270 nan 0.000 0.440 735 C N 4.414 123.766 119.300 0.087 0.000 3.254 735 C HA 0.495 4.955 4.460 0.001 0.000 0.405 735 C C -2.809 172.193 174.990 0.019 0.000 1.027 735 C CA -1.548 57.500 59.018 0.049 0.000 1.192 735 C CB 1.383 29.135 27.740 0.021 0.000 1.567 735 C HN 0.635 nan 8.230 nan 0.000 0.582 736 P HA 0.110 nan 4.420 nan 0.000 0.264 736 P C 0.642 177.826 177.300 -0.193 0.000 1.193 736 P CA 0.732 63.781 63.100 -0.085 0.000 0.763 736 P CB 0.459 32.136 31.700 -0.038 0.000 0.810 737 E N 3.467 123.403 120.200 -0.440 0.000 2.253 737 E HA -0.359 3.992 4.350 0.001 0.000 0.202 737 E C 1.506 177.932 176.600 -0.290 0.000 1.014 737 E CA 1.593 57.560 56.400 -0.721 0.000 0.823 737 E CB 0.137 29.230 29.700 -1.011 0.000 0.736 737 E HN 0.571 nan 8.360 nan 0.000 0.478 738 Q N -0.649 119.045 119.800 -0.178 0.000 2.079 738 Q HA -0.082 4.259 4.340 0.001 0.000 0.200 738 Q C 1.923 177.897 176.000 -0.043 0.000 0.974 738 Q CA 1.443 57.195 55.803 -0.085 0.000 0.840 738 Q CB -0.190 28.511 28.738 -0.062 0.000 0.898 738 Q HN 0.212 nan 8.270 nan 0.000 0.430 739 A N 0.747 123.541 122.820 -0.043 0.000 2.275 739 A HA 0.212 4.533 4.320 0.001 0.000 0.212 739 A C 2.014 179.588 177.584 -0.018 0.000 1.201 739 A CA 0.001 52.026 52.037 -0.021 0.000 0.843 739 A CB 0.050 19.038 19.000 -0.019 0.000 0.873 739 A HN 0.210 nan 8.150 nan 0.000 0.492 740 V N 0.001 119.911 119.914 -0.007 0.000 2.688 740 V HA -0.205 3.916 4.120 0.001 0.000 0.256 740 V C 2.664 178.765 176.094 0.013 0.000 1.084 740 V CA 1.794 64.101 62.300 0.012 0.000 1.103 740 V CB -1.157 30.776 31.823 0.183 0.000 0.688 740 V HN 0.598 nan 8.190 nan 0.000 0.480 741 G N 0.558 109.406 108.800 0.081 0.000 2.421 741 G HA2 -0.157 3.803 3.960 0.001 0.000 0.216 741 G HA3 -0.157 3.803 3.960 0.001 0.000 0.216 741 G C 1.645 176.592 174.900 0.079 0.000 1.171 741 G CA 0.800 45.982 45.100 0.137 0.000 0.775 741 G HN 0.571 nan 8.290 nan 0.000 0.543 742 G N 0.852 109.663 108.800 0.019 0.000 2.462 742 G HA2 -0.178 3.783 3.960 0.001 0.000 0.220 742 G HA3 -0.178 3.783 3.960 0.001 0.000 0.220 742 G C 1.570 176.450 174.900 -0.034 0.000 1.121 742 G CA 0.834 45.932 45.100 -0.004 0.000 0.758 742 G HN 0.321 nan 8.290 nan 0.000 0.559 743 I N 0.345 120.854 120.570 -0.102 0.000 2.034 743 I HA -0.145 4.025 4.170 0.001 0.000 0.228 743 I C 2.500 178.554 176.117 -0.105 0.000 1.041 743 I CA 1.071 62.258 61.300 -0.188 0.000 1.321 743 I CB -1.602 36.132 38.000 -0.443 0.000 1.062 743 I HN 0.195 nan 8.210 nan 0.000 0.389 744 Y N 1.156 121.491 120.300 0.059 0.000 2.271 744 Y HA -0.257 4.294 4.550 0.001 0.000 0.284 744 Y C 3.049 178.981 175.900 0.054 0.000 1.189 744 Y CA 1.588 59.721 58.100 0.055 0.000 1.229 744 Y CB -1.376 37.112 38.460 0.047 0.000 0.973 744 Y HN 0.216 nan 8.280 nan 0.000 0.537 745 S N -0.412 115.386 115.700 0.163 0.000 2.348 745 S HA -0.148 4.322 4.470 0.001 0.000 0.221 745 S C 2.098 176.756 174.600 0.097 0.000 1.033 745 S CA 1.635 59.901 58.200 0.111 0.000 1.010 745 S CB -0.588 62.654 63.200 0.071 0.000 0.891 745 S HN 0.218 nan 8.310 nan 0.000 0.442 746 V N 2.086 122.050 119.914 0.083 0.000 2.591 746 V HA 0.025 4.145 4.120 0.001 0.000 0.249 746 V C 2.294 178.491 176.094 0.172 0.000 1.053 746 V CA 1.057 63.420 62.300 0.105 0.000 1.068 746 V CB -0.664 31.192 31.823 0.055 0.000 0.689 746 V HN 0.447 nan 8.190 nan 0.000 0.462 747 L N 0.631 121.961 121.223 0.177 0.000 2.191 747 L HA -0.119 4.222 4.340 0.001 0.000 0.212 747 L C 1.820 178.776 176.870 0.143 0.000 1.103 747 L CA 1.222 56.168 54.840 0.176 0.000 0.769 747 L CB -0.557 41.603 42.059 0.167 0.000 0.908 747 L HN 0.447 nan 8.230 nan 0.000 0.438 748 N N 0.308 119.090 118.700 0.136 0.000 2.383 748 N HA -0.019 4.721 4.740 0.001 0.000 0.192 748 N C 0.723 176.290 175.510 0.095 0.000 1.141 748 N CA 0.544 53.659 53.050 0.108 0.000 0.851 748 N CB 0.319 38.866 38.487 0.100 0.000 0.976 748 N HN 0.388 nan 8.380 nan 0.000 0.465 749 K N -0.326 120.138 120.400 0.107 0.000 2.501 749 K HA 0.228 4.548 4.320 0.001 0.000 0.204 749 K C 0.379 177.046 176.600 0.111 0.000 1.067 749 K CA 0.074 56.420 56.287 0.099 0.000 1.060 749 K CB 0.886 33.442 32.500 0.094 0.000 0.873 749 K HN -0.200 nan 8.250 nan 0.000 0.540 750 K N -0.026 120.444 120.400 0.115 0.000 2.554 750 K HA 0.265 4.586 4.320 0.001 0.000 0.211 750 K C -0.461 176.187 176.600 0.080 0.000 1.226 750 K CA -0.130 56.223 56.287 0.109 0.000 1.025 750 K CB 0.748 33.327 32.500 0.132 0.000 1.021 750 K HN 0.007 nan 8.250 nan 0.000 0.600 751 R N -0.405 120.144 120.500 0.081 0.000 3.654 751 R HA -0.116 4.224 4.340 0.001 0.000 0.302 751 R C 0.219 176.563 176.300 0.074 0.000 1.166 751 R CA 0.540 56.683 56.100 0.073 0.000 0.810 751 R CB -2.217 28.123 30.300 0.066 0.000 1.323 751 R HN 0.312 nan 8.270 nan 0.000 0.478 752 G N 0.742 109.590 108.800 0.080 0.000 2.467 752 G HA2 0.269 4.229 3.960 0.001 0.000 0.257 752 G HA3 0.269 4.229 3.960 0.001 0.000 0.257 752 G C -0.423 174.535 174.900 0.096 0.000 1.227 752 G CA -0.274 44.873 45.100 0.078 0.000 0.835 752 G HN 0.177 nan 8.290 nan 0.000 0.556 753 Q N 1.401 121.262 119.800 0.102 0.000 2.320 753 Q HA 0.400 4.740 4.340 0.001 0.000 0.268 753 Q C -0.947 175.056 176.000 0.004 0.000 1.023 753 Q CA -0.670 55.190 55.803 0.095 0.000 0.744 753 Q CB 1.841 30.688 28.738 0.181 0.000 1.246 753 Q HN 0.337 nan 8.270 nan 0.000 0.462 754 V N 5.093 125.021 119.914 0.023 0.000 2.479 754 V HA 0.004 4.125 4.120 0.001 0.000 0.281 754 V C 1.064 177.096 176.094 -0.103 0.000 1.031 754 V CA 0.110 62.406 62.300 -0.005 0.000 1.038 754 V CB 0.920 32.821 31.823 0.131 0.000 0.981 754 V HN 0.787 nan 8.190 nan 0.000 0.478 755 V N 3.468 123.238 119.914 -0.241 0.000 2.500 755 V HA 0.095 4.215 4.120 0.001 0.000 0.243 755 V C 0.804 176.807 176.094 -0.152 0.000 1.039 755 V CA 1.407 63.538 62.300 -0.281 0.000 1.053 755 V CB 0.301 31.801 31.823 -0.538 0.000 0.695 755 V HN 1.018 nan 8.190 nan 0.000 0.463 756 S N -0.846 114.779 115.700 -0.124 0.000 2.558 756 S HA 0.467 4.938 4.470 0.001 0.000 0.277 756 S C -1.291 173.270 174.600 -0.064 0.000 1.143 756 S CA -0.761 57.389 58.200 -0.084 0.000 0.865 756 S CB 2.332 65.478 63.200 -0.090 0.000 1.102 756 S HN 0.325 nan 8.310 nan 0.000 0.454 757 E N 1.118 121.278 120.200 -0.067 0.000 2.241 757 E HA 0.451 4.802 4.350 0.001 0.000 0.263 757 E C -1.175 175.308 176.600 -0.194 0.000 0.882 757 E CA -0.359 55.985 56.400 -0.095 0.000 0.769 757 E CB 1.429 31.111 29.700 -0.030 0.000 1.185 757 E HN 0.746 nan 8.360 nan 0.000 0.415 758 E N 2.635 122.718 120.200 -0.195 0.000 2.359 758 E HA 0.281 4.631 4.350 0.001 0.000 0.266 758 E C -0.990 175.486 176.600 -0.206 0.000 0.920 758 E CA -0.905 55.373 56.400 -0.203 0.000 0.788 758 E CB 2.659 32.301 29.700 -0.096 0.000 1.279 758 E HN 0.422 nan 8.360 nan 0.000 0.438 759 Q N 1.261 120.989 119.800 -0.120 0.000 2.377 759 Q HA 0.340 4.680 4.340 0.001 0.000 0.271 759 Q C -1.001 175.063 176.000 0.106 0.000 1.077 759 Q CA -0.827 55.047 55.803 0.118 0.000 0.820 759 Q CB 2.049 30.934 28.738 0.244 0.000 1.347 759 Q HN 0.392 nan 8.270 nan 0.000 0.444 760 R N 3.987 124.573 120.500 0.143 0.000 2.316 760 R HA 0.158 4.499 4.340 0.001 0.000 0.314 760 R C -1.880 174.466 176.300 0.077 0.000 1.069 760 R CA -1.235 54.916 56.100 0.084 0.000 0.959 760 R CB 0.488 30.835 30.300 0.077 0.000 0.987 760 R HN 0.523 nan 8.270 nan 0.000 0.446 761 P HA -0.296 nan 4.420 nan 0.000 0.221 761 P C 0.798 178.125 177.300 0.044 0.000 1.107 761 P CA 2.356 65.481 63.100 0.042 0.000 0.986 761 P CB 0.068 31.784 31.700 0.026 0.000 0.774 762 G N -2.115 106.706 108.800 0.035 0.000 2.456 762 G HA2 -0.065 3.895 3.960 0.001 0.000 0.213 762 G HA3 -0.065 3.895 3.960 0.001 0.000 0.213 762 G C 0.418 175.335 174.900 0.028 0.000 1.215 762 G CA 1.213 46.329 45.100 0.027 0.000 0.805 762 G HN 0.485 nan 8.290 nan 0.000 0.537 763 T N -0.430 114.142 114.554 0.029 0.000 2.795 763 T HA 0.335 4.685 4.350 0.001 0.000 0.314 763 T C -2.105 172.611 174.700 0.027 0.000 1.069 763 T CA -0.910 61.203 62.100 0.021 0.000 1.071 763 T CB 1.417 70.298 68.868 0.023 0.000 0.988 763 T HN -0.033 nan 8.240 nan 0.000 0.543 764 P HA 0.273 nan 4.420 nan 0.000 0.253 764 P C -0.356 176.873 177.300 -0.119 0.000 1.459 764 P CA -0.376 62.672 63.100 -0.088 0.000 0.908 764 P CB -0.170 31.457 31.700 -0.121 0.000 1.470 765 L N 0.576 121.809 121.223 0.018 0.000 2.334 765 L HA 0.307 4.648 4.340 0.001 0.000 0.286 765 L C -0.241 176.773 176.870 0.240 0.000 1.108 765 L CA -0.362 54.523 54.840 0.074 0.000 0.875 765 L CB -1.165 40.939 42.059 0.074 0.000 1.246 765 L HN -0.086 nan 8.230 nan 0.000 0.439 766 F N 2.424 122.386 119.950 0.020 0.000 2.399 766 F HA 0.272 4.800 4.527 0.001 0.000 0.313 766 F C 0.973 176.778 175.800 0.010 0.000 1.202 766 F CA -0.565 57.445 58.000 0.017 0.000 1.192 766 F CB 1.420 40.433 39.000 0.020 0.000 1.256 766 F HN 0.350 nan 8.300 nan 0.000 0.558 767 T N 1.854 116.500 114.554 0.153 0.000 3.103 767 T HA 0.379 4.730 4.350 0.001 0.000 0.352 767 T C -1.143 173.558 174.700 0.001 0.000 1.048 767 T CA -0.497 61.642 62.100 0.064 0.000 1.175 767 T CB -0.167 68.726 68.868 0.042 0.000 1.029 767 T HN 0.250 nan 8.240 nan 0.000 0.498 768 V N 5.324 125.234 119.914 -0.007 0.000 2.546 768 V HA 0.515 4.636 4.120 0.001 0.000 0.284 768 V C 0.295 176.350 176.094 -0.065 0.000 1.050 768 V CA -0.433 61.839 62.300 -0.046 0.000 0.981 768 V CB 1.300 33.057 31.823 -0.110 0.000 0.990 768 V HN 0.684 nan 8.190 nan 0.000 0.474 769 K N 3.199 123.548 120.400 -0.085 0.000 2.376 769 K HA 0.830 5.151 4.320 0.001 0.000 0.257 769 K C -0.604 175.876 176.600 -0.200 0.000 0.939 769 K CA -0.333 55.872 56.287 -0.136 0.000 0.809 769 K CB 2.236 34.647 32.500 -0.149 0.000 1.121 769 K HN 0.863 nan 8.250 nan 0.000 0.425 770 A N 2.253 124.936 122.820 -0.228 0.000 2.593 770 A HA 0.635 4.956 4.320 0.001 0.000 0.290 770 A C -1.933 175.490 177.584 -0.269 0.000 1.126 770 A CA -0.730 51.138 52.037 -0.281 0.000 0.695 770 A CB 0.748 19.694 19.000 -0.091 0.000 1.290 770 A HN 0.519 nan 8.150 nan 0.000 0.414 771 Y N -0.258 120.009 120.300 -0.056 0.000 2.320 771 Y HA 0.615 5.165 4.550 0.001 0.000 0.334 771 Y C -0.158 175.706 175.900 -0.060 0.000 1.055 771 Y CA -0.875 57.181 58.100 -0.073 0.000 1.143 771 Y CB 1.603 40.030 38.460 -0.055 0.000 1.193 771 Y HN 0.537 nan 8.280 nan 0.000 0.477 772 L N 6.569 127.848 121.223 0.094 0.000 2.376 772 L HA 0.645 4.985 4.340 0.001 0.000 0.275 772 L C -2.883 173.963 176.870 -0.041 0.000 0.987 772 L CA -2.549 52.275 54.840 -0.027 0.000 0.828 772 L CB 1.870 43.795 42.059 -0.224 0.000 1.249 772 L HN 0.293 nan 8.230 nan 0.000 0.409 773 P HA 0.016 nan 4.420 nan 0.000 0.262 773 P C 0.978 178.175 177.300 -0.172 0.000 1.199 773 P CA 0.065 63.103 63.100 -0.104 0.000 0.763 773 P CB 0.734 32.421 31.700 -0.022 0.000 0.790 774 V N 3.656 123.340 119.914 -0.384 0.000 2.453 774 V HA -0.262 3.858 4.120 0.001 0.000 0.252 774 V C 1.948 177.880 176.094 -0.270 0.000 1.068 774 V CA 2.261 64.263 62.300 -0.497 0.000 1.070 774 V CB -1.030 30.317 31.823 -0.794 0.000 0.664 774 V HN 0.711 nan 8.190 nan 0.000 0.461 775 N N -0.286 118.341 118.700 -0.122 0.000 2.449 775 N HA -0.083 4.657 4.740 0.001 0.000 0.191 775 N C 1.021 176.622 175.510 0.152 0.000 1.161 775 N CA 0.543 53.642 53.050 0.082 0.000 0.863 775 N CB 0.170 38.760 38.487 0.172 0.000 0.980 775 N HN 0.507 nan 8.380 nan 0.000 0.458 776 E N -0.018 120.206 120.200 0.041 0.000 2.601 776 E HA 0.067 4.418 4.350 0.001 0.000 0.219 776 E C 0.325 176.955 176.600 0.049 0.000 0.964 776 E CA 0.112 56.562 56.400 0.085 0.000 1.050 776 E CB 0.679 30.411 29.700 0.054 0.000 1.068 776 E HN 0.459 nan 8.360 nan 0.000 0.496 777 S N -0.389 115.273 115.700 -0.063 0.000 2.557 777 S HA 0.196 4.667 4.470 0.001 0.000 0.223 777 S C 0.409 175.002 174.600 -0.012 0.000 0.969 777 S CA -0.540 57.611 58.200 -0.082 0.000 0.927 777 S CB -0.453 62.679 63.200 -0.115 0.000 0.806 777 S HN -0.061 nan 8.310 nan 0.000 0.489 778 F N 3.126 123.159 119.950 0.139 0.000 2.533 778 F HA 0.487 5.014 4.527 0.001 0.000 0.378 778 F C 1.698 177.573 175.800 0.125 0.000 1.070 778 F CA 0.545 58.616 58.000 0.119 0.000 1.172 778 F CB 0.032 39.087 39.000 0.091 0.000 1.085 778 F HN 0.360 nan 8.300 nan 0.000 0.552 779 G N 3.283 112.255 108.800 0.286 0.000 2.153 779 G HA2 -0.397 3.564 3.960 0.001 0.000 0.252 779 G HA3 -0.397 3.564 3.960 0.001 0.000 0.252 779 G C 0.963 175.963 174.900 0.167 0.000 0.994 779 G CA 0.359 45.570 45.100 0.185 0.000 0.698 779 G HN 0.651 nan 8.290 nan 0.000 0.521 780 F N 1.585 121.555 119.950 0.034 0.000 2.043 780 F HA -0.118 4.410 4.527 0.001 0.000 0.297 780 F C 2.610 178.398 175.800 -0.019 0.000 1.121 780 F CA 2.959 60.961 58.000 0.003 0.000 1.199 780 F CB -0.787 38.195 39.000 -0.030 0.000 0.968 780 F HN 0.161 nan 8.300 nan 0.000 0.478 781 T N 0.292 114.757 114.554 -0.149 0.000 2.665 781 T HA -0.194 4.157 4.350 0.001 0.000 0.268 781 T C 2.140 176.711 174.700 -0.214 0.000 1.035 781 T CA 1.771 63.709 62.100 -0.270 0.000 1.151 781 T CB -1.397 67.409 68.868 -0.104 0.000 0.862 781 T HN 0.518 nan 8.240 nan 0.000 0.438 782 G N 1.211 109.954 108.800 -0.095 0.000 2.556 782 G HA2 -0.297 3.664 3.960 0.001 0.000 0.220 782 G HA3 -0.297 3.664 3.960 0.001 0.000 0.220 782 G C 1.447 176.293 174.900 -0.089 0.000 1.156 782 G CA 1.177 46.241 45.100 -0.059 0.000 0.766 782 G HN 0.561 nan 8.290 nan 0.000 0.583 783 E N -0.581 119.546 120.200 -0.120 0.000 2.158 783 E HA 0.031 4.382 4.350 0.001 0.000 0.191 783 E C 2.329 178.810 176.600 -0.198 0.000 0.982 783 E CA 0.260 56.588 56.400 -0.120 0.000 0.823 783 E CB -0.065 29.594 29.700 -0.067 0.000 0.766 783 E HN 0.357 nan 8.360 nan 0.000 0.468 784 L N 1.031 122.034 121.223 -0.367 0.000 2.313 784 L HA -0.045 4.296 4.340 0.001 0.000 0.214 784 L C 2.192 178.934 176.870 -0.214 0.000 1.119 784 L CA 1.144 55.760 54.840 -0.374 0.000 0.809 784 L CB -0.162 41.514 42.059 -0.637 0.000 0.933 784 L HN -0.114 nan 8.230 nan 0.000 0.449 785 R N 0.035 120.430 120.500 -0.175 0.000 2.088 785 R HA -0.193 4.147 4.340 0.001 0.000 0.232 785 R C 2.198 178.455 176.300 -0.071 0.000 1.136 785 R CA 2.272 58.311 56.100 -0.102 0.000 0.926 785 R CB -0.690 29.565 30.300 -0.076 0.000 0.837 785 R HN 0.515 nan 8.270 nan 0.000 0.429 786 Q N -0.601 119.161 119.800 -0.063 0.000 2.224 786 Q HA 0.030 4.370 4.340 0.001 0.000 0.203 786 Q C 2.021 177.998 176.000 -0.038 0.000 0.970 786 Q CA 1.452 57.231 55.803 -0.039 0.000 0.865 786 Q CB -0.113 28.608 28.738 -0.029 0.000 0.922 786 Q HN 0.489 nan 8.270 nan 0.000 0.445 787 A N 0.961 123.747 122.820 -0.058 0.000 1.855 787 A HA -0.134 4.187 4.320 0.001 0.000 0.215 787 A C 2.111 179.673 177.584 -0.038 0.000 1.191 787 A CA 1.727 53.737 52.037 -0.046 0.000 0.613 787 A CB -0.735 18.225 19.000 -0.066 0.000 0.829 787 A HN 0.432 nan 8.150 nan 0.000 0.442 788 T N -3.949 110.574 114.554 -0.053 0.000 3.273 788 T HA 0.446 4.796 4.350 0.001 0.000 0.254 788 T C 1.114 175.799 174.700 -0.024 0.000 1.002 788 T CA 0.834 62.911 62.100 -0.038 0.000 0.913 788 T CB -0.195 68.642 68.868 -0.051 0.000 1.056 788 T HN 1.693 nan 8.240 nan 0.000 0.576 789 G N 0.832 109.620 108.800 -0.020 0.000 2.180 789 G HA2 -0.022 3.938 3.960 0.001 0.000 0.263 789 G HA3 -0.022 3.938 3.960 0.001 0.000 0.263 789 G C 1.134 176.031 174.900 -0.006 0.000 0.989 789 G CA 0.386 45.481 45.100 -0.008 0.000 0.692 789 G HN 1.859 nan 8.290 nan 0.000 0.526 790 G N -1.488 107.300 108.800 -0.020 0.000 2.179 790 G HA2 -0.313 3.647 3.960 0.001 0.000 0.260 790 G HA3 -0.313 3.647 3.960 0.001 0.000 0.260 790 G C 0.927 175.820 174.900 -0.012 0.000 0.977 790 G CA 1.287 46.376 45.100 -0.018 0.000 0.641 790 G HN 1.033 nan 8.290 nan 0.000 0.533 791 Q N -0.045 119.753 119.800 -0.002 0.000 2.389 791 Q HA 0.502 4.842 4.340 0.001 0.000 0.204 791 Q C 1.587 177.592 176.000 0.008 0.000 0.944 791 Q CA 0.616 56.424 55.803 0.008 0.000 0.908 791 Q CB 0.324 29.082 28.738 0.033 0.000 1.002 791 Q HN 0.872 nan 8.270 nan 0.000 0.493 792 A N 1.208 124.027 122.820 -0.001 0.000 2.450 792 A HA 0.230 4.551 4.320 0.001 0.000 0.255 792 A C -0.875 176.743 177.584 0.058 0.000 1.096 792 A CA -0.156 51.886 52.037 0.008 0.000 0.778 792 A CB -0.066 18.903 19.000 -0.051 0.000 1.031 792 A HN 0.294 nan 8.150 nan 0.000 0.494 793 F N 5.664 125.571 119.950 -0.072 0.000 2.291 793 F HA 0.496 5.024 4.527 0.001 0.000 0.368 793 F C -2.461 173.311 175.800 -0.048 0.000 1.085 793 F CA -2.899 55.059 58.000 -0.069 0.000 1.165 793 F CB 1.073 40.030 39.000 -0.072 0.000 1.429 793 F HN 0.304 nan 8.300 nan 0.000 0.503 794 P HA 0.186 nan 4.420 nan 0.000 0.272 794 P C -1.525 175.395 177.300 -0.633 0.000 1.230 794 P CA -0.133 62.720 63.100 -0.411 0.000 0.788 794 P CB 0.662 32.219 31.700 -0.238 0.000 0.949 795 Q N 1.650 121.241 119.800 -0.349 0.000 2.443 795 Q HA 0.491 4.831 4.340 0.001 0.000 0.241 795 Q C -1.807 174.064 176.000 -0.215 0.000 0.880 795 Q CA -0.436 55.178 55.803 -0.315 0.000 0.974 795 Q CB 0.812 29.386 28.738 -0.274 0.000 1.482 795 Q HN 0.473 nan 8.270 nan 0.000 0.448 796 M N 1.695 121.147 119.600 -0.246 0.000 2.371 796 M HA 0.773 5.254 4.480 0.001 0.000 0.287 796 M C -1.874 174.240 176.300 -0.309 0.000 1.149 796 M CA -0.999 54.135 55.300 -0.277 0.000 0.929 796 M CB 2.230 34.600 32.600 -0.383 0.000 1.683 796 M HN 0.269 nan 8.290 nan 0.000 0.470 797 V N 2.650 122.467 119.914 -0.161 0.000 3.001 797 V HA 0.668 4.788 4.120 0.001 0.000 0.314 797 V C -1.298 174.946 176.094 0.250 0.000 1.099 797 V CA -0.731 61.557 62.300 -0.021 0.000 0.989 797 V CB 2.475 34.293 31.823 -0.008 0.000 1.040 797 V HN 0.832 nan 8.190 nan 0.000 0.434 798 F N 3.569 123.681 119.950 0.269 0.000 2.529 798 F HA 0.303 4.830 4.527 0.001 0.000 0.365 798 F C 0.700 176.532 175.800 0.053 0.000 1.102 798 F CA 0.975 59.114 58.000 0.231 0.000 1.271 798 F CB 1.152 40.172 39.000 0.035 0.000 1.120 798 F HN 0.801 nan 8.300 nan 0.000 0.579 799 D N 2.570 122.338 120.400 -1.053 0.000 3.084 799 D HA 0.129 4.770 4.640 0.001 0.000 0.294 799 D C -0.480 175.279 176.300 -0.902 0.000 1.165 799 D CA 0.917 54.467 54.000 -0.751 0.000 1.008 799 D CB 0.233 40.767 40.800 -0.444 0.000 1.266 799 D HN 0.764 nan 8.370 nan 0.000 0.449 800 H N -4.006 114.305 119.070 -1.265 0.000 2.918 800 H HA 0.460 5.016 4.556 0.001 0.000 0.303 800 H C -1.527 173.425 175.328 -0.626 0.000 1.380 800 H CA -1.474 54.128 56.048 -0.742 0.000 1.134 800 H CB 0.402 29.912 29.762 -0.420 0.000 1.842 800 H HN -0.017 nan 8.280 nan 0.000 0.533 801 W N 0.740 121.910 121.300 -0.217 0.000 2.512 801 W HA 0.585 5.245 4.660 0.001 0.000 0.335 801 W C -0.151 176.109 176.519 -0.430 0.000 1.088 801 W CA -0.833 56.389 57.345 -0.205 0.000 1.236 801 W CB 2.187 31.645 29.460 -0.002 0.000 1.307 801 W HN 0.503 nan 8.180 nan 0.000 0.567 802 S N 1.075 116.732 115.700 -0.071 0.000 2.647 802 S HA 0.400 4.870 4.470 0.001 0.000 0.300 802 S C -0.632 173.992 174.600 0.041 0.000 1.129 802 S CA -0.603 57.520 58.200 -0.128 0.000 1.029 802 S CB 0.633 63.697 63.200 -0.227 0.000 1.007 802 S HN 0.316 nan 8.310 nan 0.000 0.484 803 T N 6.533 121.108 114.554 0.036 0.000 2.743 803 T HA 0.252 4.603 4.350 0.001 0.000 0.290 803 T C 0.472 175.196 174.700 0.040 0.000 0.908 803 T CA -0.185 61.947 62.100 0.053 0.000 1.092 803 T CB -0.471 68.416 68.868 0.032 0.000 0.882 803 T HN 0.528 nan 8.240 nan 0.000 0.531 804 L N 2.492 123.749 121.223 0.056 0.000 2.506 804 L HA 0.156 4.496 4.340 0.001 0.000 0.281 804 L C 1.871 178.750 176.870 0.016 0.000 1.228 804 L CA -0.277 54.584 54.840 0.036 0.000 0.850 804 L CB -0.034 42.045 42.059 0.033 0.000 1.110 804 L HN 0.736 nan 8.230 nan 0.000 0.496 805 G N 1.452 110.258 108.800 0.010 0.000 2.395 805 G HA2 -0.124 3.837 3.960 0.001 0.000 0.214 805 G HA3 -0.124 3.837 3.960 0.001 0.000 0.214 805 G C 0.836 175.731 174.900 -0.008 0.000 1.177 805 G CA 0.439 45.540 45.100 0.002 0.000 0.794 805 G HN 0.730 nan 8.290 nan 0.000 0.532 806 S N 0.619 116.313 115.700 -0.009 0.000 2.549 806 S HA 0.038 4.508 4.470 0.001 0.000 0.278 806 S C -0.169 174.414 174.600 -0.029 0.000 1.344 806 S CA -0.066 58.123 58.200 -0.019 0.000 1.025 806 S CB 0.942 64.128 63.200 -0.023 0.000 0.851 806 S HN 0.250 nan 8.310 nan 0.000 0.530 807 D N 1.982 122.363 120.400 -0.032 0.000 2.336 807 D HA 0.256 4.897 4.640 0.001 0.000 0.249 807 D C -0.974 175.295 176.300 -0.052 0.000 1.213 807 D CA -2.466 51.513 54.000 -0.035 0.000 0.870 807 D CB 1.068 41.853 40.800 -0.025 0.000 1.076 807 D HN 0.277 nan 8.370 nan 0.000 0.483 808 P HA -0.121 nan 4.420 nan 0.000 0.226 808 P C 1.276 178.523 177.300 -0.088 0.000 1.146 808 P CA 0.695 63.731 63.100 -0.107 0.000 0.773 808 P CB 0.372 32.012 31.700 -0.099 0.000 0.772 809 L N -0.722 120.475 121.223 -0.042 0.000 2.446 809 L HA 0.117 4.457 4.340 0.001 0.000 0.219 809 L C 1.056 177.911 176.870 -0.025 0.000 1.116 809 L CA 0.263 55.091 54.840 -0.020 0.000 0.844 809 L CB -0.581 41.486 42.059 0.012 0.000 0.970 809 L HN -0.054 nan 8.230 nan 0.000 0.457 810 D N 0.870 121.250 120.400 -0.032 0.000 2.393 810 D HA 0.125 4.765 4.640 0.001 0.000 0.232 810 D C -1.666 174.610 176.300 -0.040 0.000 1.192 810 D CA -2.188 51.794 54.000 -0.028 0.000 0.882 810 D CB 1.374 42.160 40.800 -0.023 0.000 1.038 810 D HN -0.161 nan 8.370 nan 0.000 0.499 811 P HA -0.257 nan 4.420 nan 0.000 0.219 811 P C 1.298 178.574 177.300 -0.039 0.000 1.161 811 P CA 2.374 65.449 63.100 -0.042 0.000 0.909 811 P CB -0.094 31.589 31.700 -0.028 0.000 0.793 812 T N -3.386 111.152 114.554 -0.027 0.000 2.929 812 T HA -0.074 4.276 4.350 0.001 0.000 0.271 812 T C 1.116 175.801 174.700 -0.024 0.000 1.085 812 T CA 0.708 62.795 62.100 -0.022 0.000 1.125 812 T CB -1.190 67.669 68.868 -0.014 0.000 0.874 812 T HN 0.280 nan 8.240 nan 0.000 0.494 813 S N 0.740 116.422 115.700 -0.031 0.000 2.580 813 S HA 0.153 4.624 4.470 0.001 0.000 0.261 813 S C 1.205 175.782 174.600 -0.038 0.000 1.366 813 S CA -0.436 57.746 58.200 -0.031 0.000 0.996 813 S CB 0.904 64.082 63.200 -0.037 0.000 0.902 813 S HN 0.434 nan 8.310 nan 0.000 0.566 814 K N 0.502 120.884 120.400 -0.031 0.000 2.097 814 K HA -0.062 4.259 4.320 0.001 0.000 0.205 814 K C 2.204 178.766 176.600 -0.062 0.000 1.050 814 K CA 1.230 57.500 56.287 -0.029 0.000 0.938 814 K CB -0.748 31.748 32.500 -0.008 0.000 0.718 814 K HN 0.747 nan 8.250 nan 0.000 0.442 815 A N 0.479 123.249 122.820 -0.083 0.000 1.874 815 A HA 0.039 4.359 4.320 0.001 0.000 0.214 815 A C 2.351 179.811 177.584 -0.206 0.000 1.189 815 A CA 1.387 53.334 52.037 -0.150 0.000 0.615 815 A CB -1.098 17.826 19.000 -0.126 0.000 0.830 815 A HN 0.483 nan 8.150 nan 0.000 0.443 816 G N 0.900 109.611 108.800 -0.148 0.000 2.469 816 G HA2 -0.327 3.634 3.960 0.001 0.000 0.220 816 G HA3 -0.327 3.634 3.960 0.001 0.000 0.220 816 G C 1.422 176.233 174.900 -0.149 0.000 1.136 816 G CA 1.359 46.369 45.100 -0.149 0.000 0.759 816 G HN 0.826 nan 8.290 nan 0.000 0.562 817 E N 0.146 120.276 120.200 -0.115 0.000 2.072 817 E HA -0.100 4.251 4.350 0.001 0.000 0.191 817 E C 2.339 178.868 176.600 -0.118 0.000 0.985 817 E CA 0.855 57.202 56.400 -0.087 0.000 0.801 817 E CB -0.319 29.351 29.700 -0.049 0.000 0.750 817 E HN 0.345 nan 8.360 nan 0.000 0.452 818 I N 1.730 122.191 120.570 -0.180 0.000 2.163 818 I HA -0.218 3.953 4.170 0.001 0.000 0.243 818 I C 2.621 178.545 176.117 -0.322 0.000 1.085 818 I CA 0.902 62.059 61.300 -0.239 0.000 1.347 818 I CB -0.996 36.747 38.000 -0.428 0.000 1.044 818 I HN 0.092 nan 8.210 nan 0.000 0.408 819 V N 0.975 120.586 119.914 -0.506 0.000 2.255 819 V HA -0.279 3.842 4.120 0.001 0.000 0.247 819 V C 2.587 178.557 176.094 -0.206 0.000 1.051 819 V CA 1.666 63.606 62.300 -0.601 0.000 1.018 819 V CB -0.805 30.678 31.823 -0.566 0.000 0.641 819 V HN 0.319 nan 8.190 nan 0.000 0.445 820 L N 1.077 122.218 121.223 -0.137 0.000 1.971 820 L HA -0.198 4.143 4.340 0.001 0.000 0.215 820 L C 2.482 179.348 176.870 -0.006 0.000 1.072 820 L CA 2.688 57.498 54.840 -0.050 0.000 0.758 820 L CB -1.222 40.810 42.059 -0.044 0.000 0.889 820 L HN 0.244 nan 8.230 nan 0.000 0.433 821 A N -0.594 122.219 122.820 -0.012 0.000 1.883 821 A HA -0.173 4.148 4.320 0.001 0.000 0.217 821 A C 2.449 180.070 177.584 0.061 0.000 1.186 821 A CA 2.411 54.460 52.037 0.020 0.000 0.624 821 A CB -1.342 17.669 19.000 0.019 0.000 0.822 821 A HN 0.672 nan 8.150 nan 0.000 0.444 822 A N -0.581 122.305 122.820 0.110 0.000 1.902 822 A HA -0.155 4.166 4.320 0.001 0.000 0.217 822 A C 2.267 180.017 177.584 0.277 0.000 1.181 822 A CA 1.531 53.717 52.037 0.247 0.000 0.623 822 A CB -0.473 18.848 19.000 0.534 0.000 0.818 822 A HN 0.545 nan 8.150 nan 0.000 0.443 823 R N -0.445 120.190 120.500 0.224 0.000 2.073 823 R HA -0.119 4.221 4.340 0.001 0.000 0.234 823 R C 2.320 178.710 176.300 0.151 0.000 1.134 823 R CA 1.770 57.994 56.100 0.205 0.000 0.952 823 R CB -0.291 30.083 30.300 0.124 0.000 0.850 823 R HN 0.490 nan 8.270 nan 0.000 0.433 824 K N 0.206 120.660 120.400 0.089 0.000 2.026 824 K HA -0.187 4.134 4.320 0.001 0.000 0.208 824 K C 2.179 178.809 176.600 0.049 0.000 1.048 824 K CA 1.322 57.645 56.287 0.058 0.000 0.929 824 K CB -0.147 32.373 32.500 0.033 0.000 0.713 824 K HN 0.050 nan 8.250 nan 0.000 0.439 825 R N 0.195 120.710 120.500 0.025 0.000 2.117 825 R HA -0.182 4.158 4.340 0.001 0.000 0.243 825 R C 1.704 177.954 176.300 -0.082 0.000 1.143 825 R CA 1.564 57.634 56.100 -0.050 0.000 0.968 825 R CB -0.102 30.135 30.300 -0.104 0.000 0.863 825 R HN 0.353 nan 8.270 nan 0.000 0.444 826 H N -1.235 117.873 119.070 0.063 0.000 2.548 826 H HA 0.127 4.683 4.556 0.001 0.000 0.265 826 H C 0.848 176.200 175.328 0.040 0.000 0.969 826 H CA 0.941 57.021 56.048 0.053 0.000 1.155 826 H CB 0.661 30.463 29.762 0.066 0.000 1.394 826 H HN 0.553 nan 8.280 nan 0.000 0.570 827 G N 1.488 110.368 108.800 0.133 0.000 2.198 827 G HA2 -0.286 3.675 3.960 0.001 0.000 0.257 827 G HA3 -0.286 3.675 3.960 0.001 0.000 0.257 827 G C 0.256 175.208 174.900 0.085 0.000 1.042 827 G CA 0.465 45.617 45.100 0.086 0.000 0.791 827 G HN 0.247 nan 8.290 nan 0.000 0.502 828 M N -0.225 119.438 119.600 0.105 0.000 2.494 828 M HA 0.500 4.981 4.480 0.001 0.000 0.300 828 M C 0.661 176.999 176.300 0.063 0.000 1.189 828 M CA -0.961 54.388 55.300 0.083 0.000 0.982 828 M CB 0.681 33.342 32.600 0.100 0.000 1.534 828 M HN -0.077 nan 8.290 nan 0.000 0.488 829 K N 1.647 122.077 120.400 0.049 0.000 2.489 829 K HA -0.003 4.318 4.320 0.001 0.000 0.278 829 K C 0.389 177.013 176.600 0.041 0.000 1.000 829 K CA 0.300 56.608 56.287 0.035 0.000 1.012 829 K CB 0.167 32.682 32.500 0.025 0.000 0.903 829 K HN 0.667 nan 8.250 nan 0.000 0.485 830 E N 1.398 121.616 120.200 0.030 0.000 2.204 830 E HA -0.161 4.190 4.350 0.001 0.000 0.195 830 E C -0.424 176.188 176.600 0.020 0.000 0.990 830 E CA 1.117 57.532 56.400 0.026 0.000 0.821 830 E CB 0.150 29.859 29.700 0.016 0.000 0.750 830 E HN 0.507 nan 8.360 nan 0.000 0.477 831 E N 0.591 120.802 120.200 0.018 0.000 2.227 831 E HA 0.162 4.512 4.350 0.001 0.000 0.282 831 E C -0.834 175.784 176.600 0.031 0.000 1.015 831 E CA -0.345 56.064 56.400 0.015 0.000 0.823 831 E CB 1.752 31.455 29.700 0.005 0.000 1.081 831 E HN -0.167 nan 8.360 nan 0.000 0.396 832 V N 5.244 125.180 119.914 0.037 0.000 2.529 832 V HA 0.096 4.216 4.120 0.001 0.000 0.292 832 V C -1.886 174.259 176.094 0.085 0.000 1.028 832 V CA -1.327 61.014 62.300 0.068 0.000 1.074 832 V CB -0.013 31.850 31.823 0.066 0.000 0.958 832 V HN 0.643 nan 8.190 nan 0.000 0.481 833 P HA 0.178 nan 4.420 nan 0.000 0.266 833 P C 0.388 177.781 177.300 0.155 0.000 1.195 833 P CA 0.334 63.500 63.100 0.110 0.000 0.768 833 P CB 0.451 32.252 31.700 0.169 0.000 0.838 834 G N 2.238 111.069 108.800 0.051 0.000 2.537 834 G HA2 0.109 4.069 3.960 0.001 0.000 0.273 834 G HA3 0.109 4.069 3.960 0.001 0.000 0.273 834 G C 0.876 175.869 174.900 0.156 0.000 1.189 834 G CA -0.683 44.455 45.100 0.063 0.000 0.881 834 G HN 0.750 nan 8.290 nan 0.000 0.535 835 W N 0.152 121.549 121.300 0.161 0.000 2.374 835 W HA -0.130 4.530 4.660 0.001 0.000 0.288 835 W C 1.419 178.053 176.519 0.192 0.000 1.218 835 W CA 0.891 58.379 57.345 0.238 0.000 1.245 835 W CB -0.532 29.026 29.460 0.163 0.000 1.126 835 W HN 0.510 nan 8.180 nan 0.000 0.545 836 Q N 1.299 120.674 119.800 -0.708 0.000 2.234 836 Q HA -0.222 4.118 4.340 0.001 0.000 0.206 836 Q C 2.002 177.868 176.000 -0.222 0.000 0.980 836 Q CA 2.425 57.818 55.803 -0.683 0.000 0.869 836 Q CB -0.567 27.692 28.738 -0.798 0.000 0.912 836 Q HN 0.447 nan 8.270 nan 0.000 0.436 837 E N -1.149 118.917 120.200 -0.223 0.000 2.204 837 E HA -0.159 4.191 4.350 0.001 0.000 0.194 837 E C 0.712 177.089 176.600 -0.371 0.000 0.989 837 E CA 0.964 57.157 56.400 -0.344 0.000 0.824 837 E CB 0.112 29.494 29.700 -0.531 0.000 0.756 837 E HN 0.532 nan 8.360 nan 0.000 0.477 838 Y N -2.202 118.197 120.300 0.165 0.000 2.481 838 Y HA 0.126 4.676 4.550 0.001 0.000 0.258 838 Y C 0.516 176.546 175.900 0.217 0.000 1.103 838 Y CA -0.471 57.742 58.100 0.188 0.000 1.287 838 Y CB 0.202 38.816 38.460 0.257 0.000 1.108 838 Y HN 0.005 nan 8.280 nan 0.000 0.529 839 Y N 1.562 122.021 120.300 0.265 0.000 2.258 839 Y HA 0.084 4.634 4.550 0.001 0.000 0.345 839 Y C 0.604 176.562 175.900 0.096 0.000 1.303 839 Y CA -0.801 57.441 58.100 0.238 0.000 1.537 839 Y CB 0.344 39.033 38.460 0.381 0.000 1.383 839 Y HN -0.073 nan 8.280 nan 0.000 0.606 840 D N 1.773 122.124 120.400 -0.081 0.000 2.455 840 D HA 0.016 4.657 4.640 0.001 0.000 0.241 840 D C -0.709 175.667 176.300 0.126 0.000 1.138 840 D CA 0.109 54.085 54.000 -0.040 0.000 0.877 840 D CB 0.622 41.320 40.800 -0.170 0.000 1.187 840 D HN 0.252 nan 8.370 nan 0.000 0.451 841 K N 3.981 124.409 120.400 0.047 0.000 2.278 841 K HA 0.150 4.470 4.320 0.001 0.000 0.237 841 K C -0.509 176.113 176.600 0.037 0.000 1.229 841 K CA -0.317 55.990 56.287 0.032 0.000 1.155 841 K CB -0.347 32.146 32.500 -0.011 0.000 1.590 841 K HN 0.315 nan 8.250 nan 0.000 0.290 842 L N 0.000 121.274 121.223 0.084 0.000 2.949 842 L HA 0.000 4.340 4.340 0.001 0.000 0.249 842 L CA 0.000 54.886 54.840 0.077 0.000 0.813 842 L CB 0.000 42.129 42.059 0.116 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502