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 2z86_1_C DATA FIRST_RESID 59 DATA SEQUENCE AVIDIDAATK IMCSNAKAIS LNEVEKNEII SKYREITAKK SERAELKEVE DATA SEQUENCE PIPLDWPSDL TLPPLPESTN DYVWAGKRKE LDDXXXXQLI IDGLSIVIPT DATA SEQUENCE YNRAKILAIT LACLCNQKTI YDYEVIVADD GSKENIEEIV REFESLLNIK DATA SEQUENCE YVRQKDYGYQ LCAVRNLGLR AAKYNYVAIL DCDMAPNPLW VQSYMELLAV DATA SEQUENCE DDNVALIGPR KYIDTSKHTY LDFLSQKSLI NEIPEIITNX XXXXXXXQNK DATA SEQUENCE SVDWRIEHFK NTDNLRLCNT PFRFFSGGNV AFAKKWLFRA GWFDEEFTHW DATA SEQUENCE GGEDNEFGYR LYREGCYFRS VEGAMAYHQE PPGKEXXXXX XXXXNITVQL DATA SEQUENCE LQQKVPYFYR KKEKIESATL KRVPLVSIYI PAYNCSKYIV RCVESALNQT DATA SEQUENCE ITDLEVCICD DGSTDDTLRI LQEHYANHPR VRFISQKNKG IGSASNTAVR DATA SEQUENCE LCRGFYIGQL DSDDFLEPDA VELCLDEFRK DLSLACVYTT NRNIDREGNL DATA SEQUENCE ISNGYNWPIY SREKLTSAMI CHHFRMFTAR AWNLTEGFNE SISNAVDYDM DATA SEQUENCE YLKLSEVGPF KHINKICYNR VLHGENTSIK KLDIQKENHF KVVNESLSRL DATA SEQUENCE GIKKYKYSPL TNLNECRKYT WEKI 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 59 A HA 0.000 nan 4.320 nan 0.000 0.244 59 A C 0.000 177.577 177.584 -0.012 0.000 1.274 59 A CA 0.000 52.031 52.037 -0.009 0.000 0.836 59 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 60 V N -2.659 117.247 119.914 -0.013 0.000 3.181 60 V HA 0.804 5.100 4.120 0.293 0.000 0.307 60 V C 0.068 176.151 176.094 -0.018 0.000 1.310 60 V CA -0.692 61.597 62.300 -0.017 0.000 1.067 60 V CB 1.408 33.220 31.823 -0.018 0.000 1.081 60 V HN 0.518 nan 8.190 nan 0.000 0.453 61 I N 0.362 120.915 120.570 -0.028 0.000 4.393 61 I HA 0.666 5.011 4.170 0.293 0.000 0.229 61 I C -0.526 175.573 176.117 -0.029 0.000 1.468 61 I CA 0.254 61.534 61.300 -0.033 0.000 1.183 61 I CB 1.605 39.567 38.000 -0.063 0.000 1.583 61 I HN 1.245 nan 8.210 nan 0.000 0.614 62 D N -0.017 120.361 120.400 -0.037 0.000 3.227 62 D HA 0.126 4.942 4.640 0.293 0.000 0.351 62 D C -1.303 174.996 176.300 -0.002 0.000 1.479 62 D CA -0.466 53.522 54.000 -0.020 0.000 0.799 62 D CB 0.659 41.460 40.800 0.002 0.000 1.400 62 D HN 0.502 nan 8.370 nan 0.000 0.491 63 I N -1.860 118.725 120.570 0.025 0.000 2.785 63 I HA 0.437 4.783 4.170 0.293 0.000 0.302 63 I C -0.088 176.095 176.117 0.109 0.000 1.069 63 I CA -0.947 60.402 61.300 0.081 0.000 1.045 63 I CB 2.194 40.188 38.000 -0.012 0.000 1.236 63 I HN 0.381 nan 8.210 nan 0.000 0.429 64 D N 4.310 124.830 120.400 0.201 0.000 2.563 64 D HA -0.117 4.699 4.640 0.293 0.000 0.229 64 D C 1.021 177.400 176.300 0.131 0.000 1.159 64 D CA 0.459 54.566 54.000 0.177 0.000 0.869 64 D CB 1.529 42.464 40.800 0.225 0.000 1.203 64 D HN 0.827 nan 8.370 nan 0.000 0.478 65 A N 3.336 126.241 122.820 0.141 0.000 1.858 65 A HA -0.031 4.465 4.320 0.293 0.000 0.216 65 A C 2.402 180.023 177.584 0.062 0.000 1.190 65 A CA 2.692 54.803 52.037 0.124 0.000 0.617 65 A CB -1.157 17.960 19.000 0.195 0.000 0.827 65 A HN 0.836 nan 8.150 nan 0.000 0.443 66 A N -1.309 121.558 122.820 0.079 0.000 1.884 66 A HA -0.247 4.249 4.320 0.293 0.000 0.219 66 A C 2.433 179.971 177.584 -0.075 0.000 1.197 66 A CA 2.881 54.822 52.037 -0.160 0.000 0.637 66 A CB -1.571 17.375 19.000 -0.089 0.000 0.827 66 A HN 0.537 nan 8.150 nan 0.000 0.450 67 T N -1.457 113.112 114.554 0.026 0.000 2.803 67 T HA -0.166 4.360 4.350 0.293 0.000 0.269 67 T C 1.966 176.648 174.700 -0.031 0.000 1.052 67 T CA 2.079 64.193 62.100 0.023 0.000 1.136 67 T CB -0.262 68.663 68.868 0.095 0.000 0.864 67 T HN 0.551 nan 8.240 nan 0.000 0.467 68 K N -0.187 120.197 120.400 -0.027 0.000 2.103 68 K HA 0.101 4.597 4.320 0.293 0.000 0.204 68 K C 2.106 178.680 176.600 -0.042 0.000 1.052 68 K CA 1.054 57.319 56.287 -0.037 0.000 0.945 68 K CB -0.102 32.389 32.500 -0.017 0.000 0.722 68 K HN 0.438 nan 8.250 nan 0.000 0.443 69 I N 0.297 120.833 120.570 -0.057 0.000 2.406 69 I HA -0.222 4.124 4.170 0.293 0.000 0.249 69 I C 2.279 178.352 176.117 -0.073 0.000 1.122 69 I CA 0.874 62.132 61.300 -0.070 0.000 1.431 69 I CB -0.173 37.761 38.000 -0.111 0.000 1.087 69 I HN 0.151 nan 8.210 nan 0.000 0.424 70 M N -0.022 119.530 119.600 -0.081 0.000 2.099 70 M HA -0.209 4.447 4.480 0.293 0.000 0.262 70 M C 2.566 178.839 176.300 -0.045 0.000 1.067 70 M CA 1.641 56.902 55.300 -0.065 0.000 1.124 70 M CB -0.620 31.945 32.600 -0.058 0.000 1.353 70 M HN 0.371 nan 8.290 nan 0.000 0.410 71 C N -0.505 118.770 119.300 -0.041 0.000 2.425 71 C HA -0.108 4.528 4.460 0.293 0.000 0.277 71 C C 3.260 178.230 174.990 -0.033 0.000 1.280 71 C CA 1.362 60.359 59.018 -0.035 0.000 1.744 71 C CB -0.831 26.884 27.740 -0.042 0.000 1.989 71 C HN 0.612 nan 8.230 nan 0.000 0.491 72 S N 1.098 116.776 115.700 -0.036 0.000 2.355 72 S HA -0.142 4.504 4.470 0.293 0.000 0.222 72 S C 1.751 176.333 174.600 -0.030 0.000 1.031 72 S CA 1.567 59.748 58.200 -0.031 0.000 0.993 72 S CB -0.400 62.781 63.200 -0.031 0.000 0.859 72 S HN 0.617 nan 8.310 nan 0.000 0.453 73 N N 1.864 120.543 118.700 -0.035 0.000 2.137 73 N HA -0.040 4.876 4.740 0.293 0.000 0.190 73 N C 1.550 177.043 175.510 -0.029 0.000 1.017 73 N CA 1.346 54.376 53.050 -0.034 0.000 0.859 73 N CB -0.660 37.803 38.487 -0.041 0.000 1.002 73 N HN 0.522 nan 8.380 nan 0.000 0.428 74 A N 0.490 123.293 122.820 -0.028 0.000 2.208 74 A HA 0.022 4.518 4.320 0.293 0.000 0.209 74 A C 0.779 178.350 177.584 -0.021 0.000 1.161 74 A CA 0.191 52.213 52.037 -0.025 0.000 0.782 74 A CB -0.059 18.927 19.000 -0.023 0.000 0.816 74 A HN 0.163 nan 8.150 nan 0.000 0.477 75 K N -0.483 119.904 120.400 -0.021 0.000 2.355 75 K HA 0.382 4.878 4.320 0.293 0.000 0.270 75 K C 1.226 177.816 176.600 -0.016 0.000 1.003 75 K CA 0.139 56.415 56.287 -0.018 0.000 0.957 75 K CB 0.721 33.211 32.500 -0.017 0.000 0.939 75 K HN 0.161 nan 8.250 nan 0.000 0.482 76 A N 3.441 126.252 122.820 -0.014 0.000 2.070 76 A HA -0.054 4.441 4.320 0.293 0.000 0.220 76 A C 0.813 178.390 177.584 -0.012 0.000 1.159 76 A CA 1.046 53.076 52.037 -0.012 0.000 0.656 76 A CB -0.389 18.605 19.000 -0.009 0.000 0.800 76 A HN 0.595 nan 8.150 nan 0.000 0.453 77 I N 0.157 120.720 120.570 -0.012 0.000 2.437 77 I HA 0.213 4.558 4.170 0.293 0.000 0.298 77 I C -0.103 176.006 176.117 -0.013 0.000 0.984 77 I CA -0.461 60.832 61.300 -0.012 0.000 1.214 77 I CB 1.903 39.897 38.000 -0.010 0.000 1.365 77 I HN -0.040 nan 8.210 nan 0.000 0.469 78 S N 5.618 121.310 115.700 -0.013 0.000 2.601 78 S HA 0.403 5.049 4.470 0.293 0.000 0.271 78 S C -0.314 174.279 174.600 -0.013 0.000 1.305 78 S CA -0.570 57.622 58.200 -0.014 0.000 1.022 78 S CB 1.108 64.300 63.200 -0.013 0.000 0.940 78 S HN 0.383 nan 8.310 nan 0.000 0.525 79 L N 4.211 125.426 121.223 -0.014 0.000 2.275 79 L HA 0.331 4.846 4.340 0.293 0.000 0.288 79 L C 0.406 177.270 176.870 -0.011 0.000 1.046 79 L CA -0.807 54.025 54.840 -0.013 0.000 0.805 79 L CB 0.567 42.618 42.059 -0.015 0.000 1.193 79 L HN 0.800 nan 8.230 nan 0.000 0.426 80 N N 2.776 121.471 118.700 -0.009 0.000 2.305 80 N HA -0.196 4.719 4.740 0.293 0.000 0.232 80 N C 0.397 175.902 175.510 -0.007 0.000 1.274 80 N CA -0.199 52.847 53.050 -0.008 0.000 0.870 80 N CB 0.830 39.313 38.487 -0.006 0.000 1.105 80 N HN 0.631 nan 8.380 nan 0.000 0.436 81 E N 1.127 121.323 120.200 -0.006 0.000 2.085 81 E HA -0.139 4.387 4.350 0.293 0.000 0.194 81 E C 1.693 178.292 176.600 -0.003 0.000 0.994 81 E CA 1.123 57.520 56.400 -0.005 0.000 0.801 81 E CB -0.343 29.355 29.700 -0.004 0.000 0.743 81 E HN 0.550 nan 8.360 nan 0.000 0.453 82 V N 0.515 120.427 119.914 -0.002 0.000 2.214 82 V HA -0.308 3.988 4.120 0.293 0.000 0.247 82 V C 2.268 178.362 176.094 -0.000 0.000 1.051 82 V CA 2.381 64.680 62.300 -0.001 0.000 1.003 82 V CB -0.650 31.172 31.823 -0.002 0.000 0.635 82 V HN 0.325 nan 8.190 nan 0.000 0.447 83 E N -0.537 119.662 120.200 -0.002 0.000 2.171 83 E HA -0.293 4.233 4.350 0.293 0.000 0.197 83 E C 2.285 178.884 176.600 -0.001 0.000 0.997 83 E CA 1.637 58.036 56.400 -0.002 0.000 0.810 83 E CB -0.097 29.600 29.700 -0.005 0.000 0.738 83 E HN 0.515 nan 8.360 nan 0.000 0.467 84 K N 0.224 120.622 120.400 -0.003 0.000 2.044 84 K HA -0.086 4.410 4.320 0.293 0.000 0.204 84 K C 1.700 178.303 176.600 0.004 0.000 1.049 84 K CA 1.171 57.456 56.287 -0.004 0.000 0.945 84 K CB 0.141 32.636 32.500 -0.008 0.000 0.724 84 K HN 0.048 nan 8.250 nan 0.000 0.440 85 N N 1.242 119.946 118.700 0.006 0.000 2.381 85 N HA -0.176 4.740 4.740 0.293 0.000 0.182 85 N C 1.508 177.030 175.510 0.020 0.000 1.025 85 N CA 0.931 53.989 53.050 0.013 0.000 0.888 85 N CB 0.024 38.517 38.487 0.010 0.000 0.965 85 N HN 0.428 nan 8.380 nan 0.000 0.438 86 E N 0.990 121.199 120.200 0.015 0.000 2.028 86 E HA -0.062 4.464 4.350 0.293 0.000 0.190 86 E C 1.933 178.550 176.600 0.028 0.000 0.984 86 E CA 0.645 57.056 56.400 0.018 0.000 0.800 86 E CB 0.063 29.769 29.700 0.011 0.000 0.758 86 E HN 0.246 nan 8.360 nan 0.000 0.448 87 I N 0.951 121.537 120.570 0.026 0.000 2.142 87 I HA -0.285 4.061 4.170 0.293 0.000 0.240 87 I C 2.496 178.654 176.117 0.069 0.000 1.078 87 I CA 1.011 62.333 61.300 0.037 0.000 1.343 87 I CB -0.368 37.642 38.000 0.017 0.000 1.046 87 I HN 0.176 nan 8.210 nan 0.000 0.405 88 I N 0.334 120.938 120.570 0.057 0.000 2.194 88 I HA -0.349 3.997 4.170 0.293 0.000 0.246 88 I C 2.828 179.031 176.117 0.144 0.000 1.093 88 I CA 1.694 63.052 61.300 0.096 0.000 1.355 88 I CB -0.389 37.642 38.000 0.053 0.000 1.046 88 I HN 0.263 nan 8.210 nan 0.000 0.413 89 S N 0.559 116.309 115.700 0.084 0.000 2.382 89 S HA -0.242 4.404 4.470 0.293 0.000 0.228 89 S C 2.041 176.677 174.600 0.059 0.000 1.027 89 S CA 1.737 59.975 58.200 0.062 0.000 0.991 89 S CB -0.115 63.106 63.200 0.035 0.000 0.823 89 S HN 0.246 nan 8.310 nan 0.000 0.469 90 K N 0.483 120.924 120.400 0.069 0.000 2.032 90 K HA -0.150 4.346 4.320 0.293 0.000 0.209 90 K C 1.893 178.533 176.600 0.067 0.000 1.048 90 K CA 1.958 58.278 56.287 0.056 0.000 0.927 90 K CB -1.026 31.511 32.500 0.062 0.000 0.712 90 K HN 0.545 nan 8.250 nan 0.000 0.441 91 Y N 0.821 121.124 120.300 0.005 0.000 2.114 91 Y HA -0.259 4.467 4.550 0.293 0.000 0.282 91 Y C 2.019 177.921 175.900 0.005 0.000 1.165 91 Y CA 2.060 60.165 58.100 0.008 0.000 1.148 91 Y CB -0.270 38.195 38.460 0.010 0.000 0.972 91 Y HN 0.001 nan 8.280 nan 0.000 0.504 92 R N 0.699 121.141 120.500 -0.095 0.000 2.080 92 R HA -0.182 4.334 4.340 0.293 0.000 0.236 92 R C 2.356 178.553 176.300 -0.172 0.000 1.137 92 R CA 1.967 57.967 56.100 -0.166 0.000 0.943 92 R CB -0.807 29.487 30.300 -0.009 0.000 0.846 92 R HN 0.745 nan 8.270 nan 0.000 0.431 93 E N -0.031 120.111 120.200 -0.096 0.000 2.077 93 E HA -0.178 4.348 4.350 0.293 0.000 0.193 93 E C 1.907 178.445 176.600 -0.104 0.000 0.989 93 E CA 1.518 57.871 56.400 -0.078 0.000 0.800 93 E CB -0.605 29.070 29.700 -0.042 0.000 0.746 93 E HN 0.420 nan 8.360 nan 0.000 0.452 94 I N 1.304 121.800 120.570 -0.122 0.000 2.614 94 I HA -0.127 4.219 4.170 0.293 0.000 0.258 94 I C 1.078 177.097 176.117 -0.164 0.000 1.189 94 I CA 1.664 62.893 61.300 -0.119 0.000 1.462 94 I CB 0.012 37.962 38.000 -0.084 0.000 1.092 94 I HN 0.388 nan 8.210 nan 0.000 0.442 95 T N -2.781 111.613 114.554 -0.268 0.000 3.269 95 T HA 0.481 5.007 4.350 0.293 0.000 0.269 95 T C 1.013 175.601 174.700 -0.187 0.000 0.993 95 T CA 0.129 62.072 62.100 -0.262 0.000 0.909 95 T CB 0.690 69.285 68.868 -0.456 0.000 1.115 95 T HN 0.184 nan 8.240 nan 0.000 0.543 96 A N 1.592 124.331 122.820 -0.135 0.000 1.903 96 A HA 0.267 4.763 4.320 0.293 0.000 0.213 96 A C 1.280 178.828 177.584 -0.060 0.000 1.185 96 A CA 0.241 52.224 52.037 -0.089 0.000 0.628 96 A CB -0.216 18.741 19.000 -0.072 0.000 0.830 96 A HN 0.535 nan 8.150 nan 0.000 0.446 97 K N 1.140 121.508 120.400 -0.053 0.000 2.527 97 K HA 0.046 4.542 4.320 0.293 0.000 0.278 97 K C -0.709 175.875 176.600 -0.027 0.000 0.981 97 K CA 0.590 56.857 56.287 -0.034 0.000 1.009 97 K CB 0.213 32.697 32.500 -0.026 0.000 0.895 97 K HN 0.354 nan 8.250 nan 0.000 0.493 98 K N 1.825 122.214 120.400 -0.018 0.000 2.203 98 K HA 0.226 4.722 4.320 0.293 0.000 0.251 98 K C -0.619 175.977 176.600 -0.006 0.000 0.944 98 K CA -0.860 55.419 56.287 -0.013 0.000 0.829 98 K CB 1.834 34.326 32.500 -0.014 0.000 1.125 98 K HN 0.423 nan 8.250 nan 0.000 0.430 99 S N 2.371 118.070 115.700 -0.002 0.000 2.537 99 S HA -0.041 4.605 4.470 0.293 0.000 0.286 99 S C -0.032 174.567 174.600 -0.002 0.000 1.299 99 S CA -0.322 57.880 58.200 0.004 0.000 1.067 99 S CB 0.016 63.222 63.200 0.011 0.000 0.864 99 S HN 0.544 nan 8.310 nan 0.000 0.494 100 E N 3.087 123.288 120.200 0.001 0.000 2.366 100 E HA 0.250 4.776 4.350 0.293 0.000 0.266 100 E C 0.103 176.699 176.600 -0.007 0.000 1.051 100 E CA -0.966 55.432 56.400 -0.003 0.000 0.884 100 E CB 0.543 30.243 29.700 -0.000 0.000 1.006 100 E HN 0.643 nan 8.360 nan 0.000 0.417 101 R N 1.406 121.898 120.500 -0.014 0.000 2.582 101 R HA 0.498 5.014 4.340 0.293 0.000 0.271 101 R C -0.251 176.039 176.300 -0.017 0.000 1.078 101 R CA -0.415 55.671 56.100 -0.023 0.000 1.127 101 R CB 0.654 30.936 30.300 -0.030 0.000 1.038 101 R HN 0.580 nan 8.270 nan 0.000 0.500 102 A N 1.813 124.620 122.820 -0.022 0.000 2.346 102 A HA 0.113 4.609 4.320 0.293 0.000 0.252 102 A C -0.258 177.320 177.584 -0.011 0.000 1.089 102 A CA -0.538 51.492 52.037 -0.011 0.000 0.797 102 A CB 0.041 19.037 19.000 -0.007 0.000 1.047 102 A HN 0.855 nan 8.150 nan 0.000 0.494 103 E N 0.552 120.751 120.200 -0.002 0.000 2.415 103 E HA 0.124 4.650 4.350 0.293 0.000 0.263 103 E C -0.593 176.003 176.600 -0.007 0.000 0.995 103 E CA 0.035 56.435 56.400 -0.001 0.000 0.915 103 E CB 0.221 29.927 29.700 0.010 0.000 0.951 103 E HN 0.469 nan 8.360 nan 0.000 0.449 104 L N 3.568 124.784 121.223 -0.011 0.000 2.578 104 L HA -0.002 4.514 4.340 0.293 0.000 0.279 104 L C 0.476 177.334 176.870 -0.020 0.000 1.227 104 L CA 0.946 55.774 54.840 -0.019 0.000 0.900 104 L CB -0.103 41.945 42.059 -0.018 0.000 1.144 104 L HN 0.478 nan 8.230 nan 0.000 0.496 105 K N 2.415 122.794 120.400 -0.035 0.000 2.543 105 K HA 0.401 4.897 4.320 0.293 0.000 0.255 105 K C -1.490 175.059 176.600 -0.085 0.000 0.934 105 K CA -0.739 55.520 56.287 -0.047 0.000 0.810 105 K CB 2.053 34.528 32.500 -0.041 0.000 1.315 105 K HN 0.373 nan 8.250 nan 0.000 0.433 106 E N 2.336 122.481 120.200 -0.091 0.000 2.191 106 E HA 0.504 5.029 4.350 0.293 0.000 0.263 106 E C -1.617 174.883 176.600 -0.167 0.000 0.881 106 E CA -0.610 55.721 56.400 -0.115 0.000 0.757 106 E CB 1.813 31.471 29.700 -0.070 0.000 1.147 106 E HN 0.327 nan 8.360 nan 0.000 0.414 107 V N 2.563 122.323 119.914 -0.257 0.000 3.159 107 V HA 0.471 4.767 4.120 0.293 0.000 0.308 107 V C -0.731 175.210 176.094 -0.255 0.000 1.190 107 V CA -1.191 60.897 62.300 -0.352 0.000 1.037 107 V CB 2.009 33.314 31.823 -0.863 0.000 1.060 107 V HN 0.684 nan 8.190 nan 0.000 0.437 108 E N 2.365 122.479 120.200 -0.143 0.000 2.197 108 E HA 0.387 4.913 4.350 0.293 0.000 0.281 108 E C -2.511 174.130 176.600 0.068 0.000 0.995 108 E CA -1.954 54.435 56.400 -0.018 0.000 0.808 108 E CB 1.759 31.491 29.700 0.053 0.000 1.093 108 E HN 0.281 nan 8.360 nan 0.000 0.394 109 P HA -0.045 nan 4.420 nan 0.000 0.214 109 P C 0.311 177.739 177.300 0.214 0.000 1.163 109 P CA 1.149 64.351 63.100 0.170 0.000 0.889 109 P CB 0.141 31.873 31.700 0.054 0.000 0.790 110 I N 0.061 120.679 120.570 0.081 0.000 2.395 110 I HA 0.176 4.522 4.170 0.293 0.000 0.289 110 I C -2.170 174.028 176.117 0.134 0.000 1.023 110 I CA -2.579 58.723 61.300 0.002 0.000 1.350 110 I CB 0.845 38.787 38.000 -0.096 0.000 1.409 110 I HN -0.208 nan 8.210 nan 0.000 0.507 111 P HA 0.025 nan 4.420 nan 0.000 0.271 111 P C 0.454 177.926 177.300 0.288 0.000 1.218 111 P CA -0.346 62.921 63.100 0.278 0.000 0.780 111 P CB 0.820 32.734 31.700 0.356 0.000 0.901 112 L N 2.747 124.124 121.223 0.257 0.000 2.201 112 L HA -0.144 4.372 4.340 0.293 0.000 0.212 112 L C 1.009 178.022 176.870 0.239 0.000 1.105 112 L CA 1.964 56.931 54.840 0.211 0.000 0.775 112 L CB -0.796 41.360 42.059 0.161 0.000 0.913 112 L HN 0.326 nan 8.230 nan 0.000 0.440 113 D N -2.414 118.174 120.400 0.313 0.000 2.340 113 D HA -0.169 4.647 4.640 0.293 0.000 0.220 113 D C 0.671 177.220 176.300 0.413 0.000 1.039 113 D CA -0.262 53.946 54.000 0.347 0.000 0.866 113 D CB -0.607 40.414 40.800 0.367 0.000 0.913 113 D HN 0.297 nan 8.370 nan 0.000 0.523 114 W N 2.632 124.035 121.300 0.172 0.000 2.381 114 W HA 0.187 5.023 4.660 0.293 0.000 0.321 114 W C -2.345 174.039 176.519 -0.225 0.000 1.407 114 W CA -1.877 55.424 57.345 -0.073 0.000 1.274 114 W CB 0.456 29.879 29.460 -0.062 0.000 1.310 114 W HN -0.078 nan 8.180 nan 0.000 0.551 115 P HA -0.069 nan 4.420 nan 0.000 0.262 115 P C 0.602 177.674 177.300 -0.380 0.000 1.182 115 P CA 0.713 63.391 63.100 -0.704 0.000 0.761 115 P CB 0.768 31.725 31.700 -1.239 0.000 0.795 116 S N 1.401 117.028 115.700 -0.122 0.000 2.474 116 S HA -0.115 4.531 4.470 0.293 0.000 0.235 116 S C 1.014 175.601 174.600 -0.022 0.000 0.997 116 S CA 1.337 59.531 58.200 -0.011 0.000 0.949 116 S CB -0.448 62.763 63.200 0.019 0.000 0.766 116 S HN 0.662 nan 8.310 nan 0.000 0.517 117 D N 0.220 120.575 120.400 -0.074 0.000 2.462 117 D HA 0.115 4.931 4.640 0.293 0.000 0.221 117 D C 0.061 176.313 176.300 -0.079 0.000 1.173 117 D CA -0.170 53.811 54.000 -0.031 0.000 0.831 117 D CB -0.064 40.751 40.800 0.024 0.000 1.001 117 D HN 0.213 nan 8.370 nan 0.000 0.499 118 L N 1.241 122.308 121.223 -0.260 0.000 2.319 118 L HA 0.470 4.986 4.340 0.293 0.000 0.281 118 L C -1.358 175.486 176.870 -0.043 0.000 1.005 118 L CA 0.111 54.740 54.840 -0.351 0.000 0.828 118 L CB 1.527 42.955 42.059 -1.051 0.000 1.227 118 L HN -0.195 nan 8.230 nan 0.000 0.415 119 T N 5.673 120.258 114.554 0.051 0.000 2.809 119 T HA 0.426 4.951 4.350 0.293 0.000 0.284 119 T C -0.193 174.586 174.700 0.130 0.000 0.992 119 T CA -0.508 61.681 62.100 0.147 0.000 0.957 119 T CB 1.594 70.515 68.868 0.088 0.000 0.942 119 T HN 0.289 nan 8.240 nan 0.000 0.439 120 L N 5.080 126.408 121.223 0.175 0.000 2.380 120 L HA 0.347 4.863 4.340 0.293 0.000 0.273 120 L C -1.950 174.977 176.870 0.096 0.000 1.138 120 L CA -2.169 52.749 54.840 0.129 0.000 0.832 120 L CB -0.344 41.780 42.059 0.109 0.000 1.124 120 L HN 0.407 nan 8.230 nan 0.000 0.454 121 P HA 0.027 nan 4.420 nan 0.000 0.258 121 P C -2.309 175.094 177.300 0.173 0.000 1.172 121 P CA -0.565 62.609 63.100 0.124 0.000 0.762 121 P CB -0.216 31.552 31.700 0.114 0.000 0.764 122 P HA -0.059 nan 4.420 nan 0.000 0.263 122 P C 0.163 177.557 177.300 0.157 0.000 1.168 122 P CA 0.478 63.659 63.100 0.136 0.000 0.759 122 P CB 0.344 32.119 31.700 0.125 0.000 0.782 123 L N 5.179 126.395 121.223 -0.012 0.000 2.468 123 L HA 0.231 4.747 4.340 0.293 0.000 0.253 123 L C -1.520 175.016 176.870 -0.556 0.000 1.237 123 L CA -1.532 53.153 54.840 -0.257 0.000 0.823 123 L CB -0.191 41.763 42.059 -0.174 0.000 1.124 123 L HN 0.341 nan 8.230 nan 0.000 0.504 124 P HA 0.101 nan 4.420 nan 0.000 0.276 124 P C -0.638 176.483 177.300 -0.298 0.000 1.252 124 P CA -0.370 62.255 63.100 -0.792 0.000 0.802 124 P CB 0.760 31.853 31.700 -1.011 0.000 1.035 125 E N -0.442 119.678 120.200 -0.134 0.000 2.435 125 E HA 0.040 4.566 4.350 0.293 0.000 0.195 125 E C 0.645 177.222 176.600 -0.038 0.000 1.029 125 E CA 0.366 56.727 56.400 -0.066 0.000 0.865 125 E CB 0.208 29.887 29.700 -0.034 0.000 0.833 125 E HN 0.545 nan 8.360 nan 0.000 0.510 126 S N -1.772 113.909 115.700 -0.031 0.000 2.643 126 S HA 0.105 4.751 4.470 0.293 0.000 0.270 126 S C 0.775 175.402 174.600 0.045 0.000 1.166 126 S CA -0.278 57.936 58.200 0.022 0.000 0.815 126 S CB 1.057 64.280 63.200 0.038 0.000 1.139 126 S HN 0.007 nan 8.310 nan 0.000 0.472 127 T N -1.451 113.166 114.554 0.104 0.000 3.072 127 T HA 0.085 4.611 4.350 0.293 0.000 0.266 127 T C 0.759 175.538 174.700 0.131 0.000 1.127 127 T CA 1.484 63.651 62.100 0.112 0.000 1.107 127 T CB -0.710 68.278 68.868 0.200 0.000 0.910 127 T HN 0.581 nan 8.240 nan 0.000 0.513 128 N N 1.320 120.141 118.700 0.201 0.000 2.338 128 N HA 0.106 5.021 4.740 0.293 0.000 0.251 128 N C -0.706 175.054 175.510 0.415 0.000 1.199 128 N CA -0.329 52.912 53.050 0.319 0.000 0.879 128 N CB 0.073 38.748 38.487 0.314 0.000 1.159 128 N HN 0.187 nan 8.380 nan 0.000 0.514 129 D N 0.641 121.244 120.400 0.338 0.000 2.498 129 D HA -0.089 4.726 4.640 0.293 0.000 0.229 129 D C 0.815 177.227 176.300 0.186 0.000 1.188 129 D CA -0.374 53.694 54.000 0.112 0.000 1.028 129 D CB -0.259 40.597 40.800 0.093 0.000 1.087 129 D HN 0.484 nan 8.370 nan 0.000 0.510 130 Y N 0.550 120.973 120.300 0.205 0.000 2.639 130 Y HA -0.020 4.704 4.550 0.291 0.000 0.297 130 Y C 1.538 177.371 175.900 -0.111 0.000 1.151 130 Y CA -0.166 57.822 58.100 -0.188 0.000 1.335 130 Y CB -0.310 38.097 38.460 -0.088 0.000 0.994 130 Y HN 0.093 nan 8.280 nan 0.000 0.548 131 V N -0.258 119.694 119.914 0.064 0.000 2.446 131 V HA -0.171 4.125 4.120 0.293 0.000 0.244 131 V C 2.211 178.356 176.094 0.086 0.000 1.039 131 V CA 1.424 63.785 62.300 0.101 0.000 1.045 131 V CB -0.569 31.285 31.823 0.052 0.000 0.681 131 V HN 0.740 nan 8.190 nan 0.000 0.459 132 W N 1.414 122.682 121.300 -0.053 0.000 2.358 132 W HA -0.177 4.658 4.660 0.291 0.000 0.303 132 W C 2.346 178.836 176.519 -0.049 0.000 1.208 132 W CA 2.058 59.387 57.345 -0.028 0.000 1.274 132 W CB -0.353 29.110 29.460 0.006 0.000 1.138 132 W HN 0.185 nan 8.180 nan 0.000 0.515 133 A N 1.036 123.832 122.820 -0.041 0.000 1.883 133 A HA -0.110 4.386 4.320 0.293 0.000 0.217 133 A C 2.270 179.629 177.584 -0.375 0.000 1.186 133 A CA 2.219 54.030 52.037 -0.376 0.000 0.624 133 A CB -1.794 16.858 19.000 -0.580 0.000 0.822 133 A HN 0.476 nan 8.150 nan 0.000 0.444 134 G N -0.701 107.963 108.800 -0.227 0.000 2.462 134 G HA2 -0.220 3.915 3.960 0.293 0.000 0.220 134 G HA3 -0.220 3.915 3.960 0.293 0.000 0.220 134 G C 1.624 176.410 174.900 -0.190 0.000 1.121 134 G CA 1.077 46.077 45.100 -0.168 0.000 0.758 134 G HN 0.590 nan 8.290 nan 0.000 0.559 135 K N 0.057 120.314 120.400 -0.238 0.000 2.228 135 K HA 0.054 4.549 4.320 0.293 0.000 0.202 135 K C 0.905 177.327 176.600 -0.298 0.000 1.051 135 K CA -0.160 55.990 56.287 -0.229 0.000 0.960 135 K CB 0.046 32.428 32.500 -0.196 0.000 0.743 135 K HN 0.194 nan 8.250 nan 0.000 0.458 136 R N 2.479 122.700 120.500 -0.465 0.000 2.523 136 R HA -0.053 4.463 4.340 0.293 0.000 0.281 136 R C 0.298 176.451 176.300 -0.245 0.000 0.969 136 R CA 0.240 56.085 56.100 -0.426 0.000 1.093 136 R CB 0.191 30.168 30.300 -0.539 0.000 0.917 136 R HN 0.012 nan 8.270 nan 0.000 0.408 137 K N 4.454 124.744 120.400 -0.183 0.000 2.453 137 K HA -0.086 4.410 4.320 0.293 0.000 0.280 137 K C -0.385 176.145 176.600 -0.117 0.000 1.045 137 K CA 0.341 56.553 56.287 -0.125 0.000 1.059 137 K CB 0.382 32.826 32.500 -0.094 0.000 0.901 137 K HN 0.505 nan 8.250 nan 0.000 0.475 138 E N 3.289 123.429 120.200 -0.099 0.000 2.604 138 E HA -0.147 4.378 4.350 0.293 0.000 0.267 138 E C 0.127 176.678 176.600 -0.081 0.000 0.970 138 E CA 0.293 56.641 56.400 -0.086 0.000 0.956 138 E CB 0.373 30.032 29.700 -0.068 0.000 0.939 138 E HN 0.409 nan 8.360 nan 0.000 0.465 139 L N 1.977 123.151 121.223 -0.081 0.000 2.431 139 L HA 0.121 4.636 4.340 0.293 0.000 0.260 139 L C 0.534 177.365 176.870 -0.064 0.000 1.098 139 L CA -0.634 54.159 54.840 -0.078 0.000 0.800 139 L CB 0.730 42.737 42.059 -0.087 0.000 1.210 139 L HN 0.530 nan 8.230 nan 0.000 0.465 140 D N 2.046 122.410 120.400 -0.060 0.000 2.801 140 D HA 0.074 4.889 4.640 0.293 0.000 0.232 140 D C -0.279 175.991 176.300 -0.050 0.000 1.128 140 D CA 0.180 54.150 54.000 -0.050 0.000 1.003 140 D CB -0.337 40.436 40.800 -0.046 0.000 1.110 140 D HN 0.418 nan 8.370 nan 0.000 0.477 147 L N 2.415 123.660 121.223 0.037 0.000 2.415 147 L HA 0.588 5.104 4.340 0.293 0.000 0.268 147 L C -0.769 176.157 176.870 0.094 0.000 0.984 147 L CA -0.380 54.501 54.840 0.067 0.000 0.853 147 L CB 1.810 43.911 42.059 0.069 0.000 1.215 147 L HN 0.424 nan 8.230 nan 0.000 0.419 148 I N 4.980 125.619 120.570 0.115 0.000 2.260 148 I HA 0.106 4.451 4.170 0.293 0.000 0.297 148 I C 0.203 176.458 176.117 0.231 0.000 1.143 148 I CA -0.286 61.097 61.300 0.137 0.000 1.271 148 I CB 0.480 38.551 38.000 0.117 0.000 1.461 148 I HN 0.447 nan 8.210 nan 0.000 0.530 149 I N 6.358 127.041 120.570 0.189 0.000 2.270 149 I HA -0.028 4.318 4.170 0.293 0.000 0.294 149 I C 1.339 177.559 176.117 0.171 0.000 1.164 149 I CA 0.121 61.521 61.300 0.166 0.000 1.680 149 I CB -0.951 37.103 38.000 0.090 0.000 1.494 149 I HN 0.566 nan 8.210 nan 0.000 0.767 150 D N 2.656 123.193 120.400 0.228 0.000 2.103 150 D HA 0.040 4.856 4.640 0.293 0.000 0.199 150 D C 0.962 177.214 176.300 -0.081 0.000 0.978 150 D CA 1.002 55.110 54.000 0.181 0.000 0.829 150 D CB 0.319 41.330 40.800 0.351 0.000 0.981 150 D HN 0.421 nan 8.370 nan 0.000 0.464 151 G N -1.067 107.534 108.800 -0.332 0.000 2.322 151 G HA2 0.365 4.500 3.960 0.293 0.000 0.295 151 G HA3 0.365 4.500 3.960 0.293 0.000 0.295 151 G C -2.194 172.355 174.900 -0.586 0.000 1.369 151 G CA -0.672 43.917 45.100 -0.852 0.000 0.821 151 G HN 0.217 nan 8.290 nan 0.000 0.536 152 L N 1.401 122.412 121.223 -0.355 0.000 2.298 152 L HA 0.638 5.154 4.340 0.293 0.000 0.284 152 L C -0.185 176.813 176.870 0.213 0.000 1.013 152 L CA -0.622 54.200 54.840 -0.030 0.000 0.824 152 L CB 1.467 43.496 42.059 -0.050 0.000 1.221 152 L HN 0.478 nan 8.230 nan 0.000 0.418 153 S N 6.314 122.200 115.700 0.310 0.000 2.399 153 S HA 0.452 5.098 4.470 0.293 0.000 0.301 153 S C -0.003 174.715 174.600 0.197 0.000 1.093 153 S CA -0.385 58.019 58.200 0.340 0.000 1.077 153 S CB 0.246 63.610 63.200 0.274 0.000 0.980 153 S HN 0.431 nan 8.310 nan 0.000 0.494 154 I N 3.983 124.695 120.570 0.237 0.000 2.301 154 I HA 0.236 4.582 4.170 0.293 0.000 0.292 154 I C -0.266 175.942 176.117 0.153 0.000 1.046 154 I CA -0.518 60.915 61.300 0.221 0.000 1.282 154 I CB 0.830 39.012 38.000 0.303 0.000 1.409 154 I HN 0.213 nan 8.210 nan 0.000 0.484 155 V N 7.965 127.947 119.914 0.113 0.000 2.465 155 V HA 0.378 4.674 4.120 0.293 0.000 0.279 155 V C 0.213 176.340 176.094 0.055 0.000 1.045 155 V CA -0.327 62.020 62.300 0.079 0.000 0.938 155 V CB 1.515 33.380 31.823 0.068 0.000 0.986 155 V HN 0.484 nan 8.190 nan 0.000 0.467 156 I N 6.734 127.323 120.570 0.032 0.000 2.448 156 I HA 0.344 4.690 4.170 0.293 0.000 0.281 156 I C -2.647 173.466 176.117 -0.007 0.000 1.027 156 I CA -1.951 59.348 61.300 -0.002 0.000 1.111 156 I CB 2.203 40.184 38.000 -0.031 0.000 1.236 156 I HN 0.405 nan 8.210 nan 0.000 0.452 157 P HA 0.159 nan 4.420 nan 0.000 0.271 157 P C -0.834 176.453 177.300 -0.021 0.000 1.226 157 P CA 0.184 63.261 63.100 -0.039 0.000 0.765 157 P CB 0.755 32.405 31.700 -0.082 0.000 0.835 158 T N 3.214 117.775 114.554 0.011 0.000 2.886 158 T HA 0.416 4.942 4.350 0.293 0.000 0.292 158 T C -1.558 173.214 174.700 0.120 0.000 1.012 158 T CA -0.260 61.866 62.100 0.042 0.000 0.982 158 T CB 0.955 69.851 68.868 0.046 0.000 1.018 158 T HN 0.151 nan 8.240 nan 0.000 0.451 159 Y N 4.276 124.543 120.300 -0.055 0.000 2.344 159 Y HA 0.339 5.063 4.550 0.289 0.000 0.328 159 Y C 0.276 176.156 175.900 -0.033 0.000 1.067 159 Y CA -0.958 57.109 58.100 -0.053 0.000 1.247 159 Y CB -0.268 38.136 38.460 -0.093 0.000 1.113 159 Y HN 0.820 nan 8.280 nan 0.000 0.465 160 N N 2.867 121.391 118.700 -0.293 0.000 1.387 160 N HA -0.292 4.624 4.740 0.293 0.000 0.119 160 N C -0.406 175.010 175.510 -0.155 0.000 0.852 160 N CA 1.600 54.472 53.050 -0.295 0.000 0.874 160 N CB -0.477 37.714 38.487 -0.493 0.000 0.970 160 N HN 0.845 nan 8.380 nan 0.000 0.642 161 R N -0.746 119.672 120.500 -0.137 0.000 3.333 161 R HA -0.211 4.305 4.340 0.293 0.000 0.256 161 R C 1.165 177.425 176.300 -0.066 0.000 1.010 161 R CA 0.761 56.812 56.100 -0.081 0.000 0.680 161 R CB -2.110 28.149 30.300 -0.068 0.000 1.102 161 R HN 0.637 nan 8.270 nan 0.000 0.440 162 A N 1.083 123.865 122.820 -0.065 0.000 1.873 162 A HA -0.263 4.233 4.320 0.293 0.000 0.218 162 A C 1.943 179.501 177.584 -0.043 0.000 1.193 162 A CA 1.810 53.811 52.037 -0.060 0.000 0.629 162 A CB -0.247 18.720 19.000 -0.055 0.000 0.826 162 A HN 0.498 nan 8.150 nan 0.000 0.447 163 K N -0.582 119.815 120.400 -0.005 0.000 2.044 163 K HA -0.137 4.359 4.320 0.293 0.000 0.210 163 K C 1.868 178.493 176.600 0.042 0.000 1.049 163 K CA 1.754 58.071 56.287 0.051 0.000 0.927 163 K CB -0.464 32.083 32.500 0.078 0.000 0.713 163 K HN 0.584 nan 8.250 nan 0.000 0.443 164 I N 0.952 121.522 120.570 0.001 0.000 2.286 164 I HA -0.259 4.087 4.170 0.293 0.000 0.248 164 I C 2.394 178.461 176.117 -0.083 0.000 1.115 164 I CA 0.586 61.867 61.300 -0.032 0.000 1.392 164 I CB -0.252 37.719 38.000 -0.048 0.000 1.065 164 I HN 0.123 nan 8.210 nan 0.000 0.418 165 L N 1.503 122.670 121.223 -0.094 0.000 2.017 165 L HA -0.141 4.375 4.340 0.293 0.000 0.208 165 L C 2.588 179.344 176.870 -0.191 0.000 1.073 165 L CA 2.152 56.908 54.840 -0.141 0.000 0.745 165 L CB -0.813 41.172 42.059 -0.124 0.000 0.894 165 L HN 0.171 nan 8.230 nan 0.000 0.432 166 A N -0.289 122.447 122.820 -0.140 0.000 1.940 166 A HA -0.195 4.301 4.320 0.293 0.000 0.219 166 A C 2.285 179.870 177.584 0.002 0.000 1.176 166 A CA 2.175 54.134 52.037 -0.130 0.000 0.631 166 A CB -0.890 17.993 19.000 -0.195 0.000 0.814 166 A HN 0.563 nan 8.150 nan 0.000 0.446 167 I N -1.007 119.570 120.570 0.011 0.000 2.202 167 I HA -0.197 4.149 4.170 0.293 0.000 0.242 167 I C 2.622 178.593 176.117 -0.242 0.000 1.091 167 I CA 1.680 62.940 61.300 -0.066 0.000 1.368 167 I CB -0.754 37.144 38.000 -0.170 0.000 1.058 167 I HN 0.236 nan 8.210 nan 0.000 0.410 168 T N 1.596 115.996 114.554 -0.257 0.000 2.665 168 T HA -0.194 4.332 4.350 0.293 0.000 0.268 168 T C 1.963 176.490 174.700 -0.289 0.000 1.035 168 T CA 1.426 63.355 62.100 -0.285 0.000 1.151 168 T CB -0.365 68.348 68.868 -0.259 0.000 0.862 168 T HN 0.233 nan 8.240 nan 0.000 0.438 169 L N 0.500 121.506 121.223 -0.363 0.000 2.046 169 L HA -0.134 4.382 4.340 0.293 0.000 0.208 169 L C 3.046 179.742 176.870 -0.290 0.000 1.077 169 L CA 1.268 55.790 54.840 -0.530 0.000 0.747 169 L CB -0.734 40.581 42.059 -1.239 0.000 0.896 169 L HN 0.269 nan 8.230 nan 0.000 0.432 170 A N -0.632 122.157 122.820 -0.051 0.000 1.883 170 A HA -0.251 4.245 4.320 0.293 0.000 0.217 170 A C 2.309 179.965 177.584 0.120 0.000 1.186 170 A CA 1.984 54.174 52.037 0.256 0.000 0.624 170 A CB -1.192 18.030 19.000 0.370 0.000 0.822 170 A HN 0.575 nan 8.150 nan 0.000 0.444 171 C N -0.658 118.624 119.300 -0.030 0.000 2.437 171 C HA 0.086 4.722 4.460 0.293 0.000 0.283 171 C C 2.409 177.380 174.990 -0.031 0.000 1.424 171 C CA 0.574 59.565 59.018 -0.044 0.000 1.782 171 C CB -1.599 26.044 27.740 -0.161 0.000 1.833 171 C HN 0.586 nan 8.230 nan 0.000 0.532 172 L N -0.580 120.619 121.223 -0.041 0.000 2.341 172 L HA -0.060 4.455 4.340 0.293 0.000 0.214 172 L C 2.316 179.290 176.870 0.173 0.000 1.115 172 L CA 0.869 55.716 54.840 0.011 0.000 0.820 172 L CB -0.371 41.674 42.059 -0.023 0.000 0.944 172 L HN 0.408 nan 8.230 nan 0.000 0.452 173 C N -0.284 119.124 119.300 0.181 0.000 2.468 173 C HA -0.061 4.575 4.460 0.293 0.000 0.277 173 C C 1.837 176.945 174.990 0.197 0.000 1.400 173 C CA 0.346 59.503 59.018 0.232 0.000 1.770 173 C CB -1.322 26.569 27.740 0.252 0.000 1.905 173 C HN 0.531 nan 8.230 nan 0.000 0.519 174 N N 0.641 119.432 118.700 0.152 0.000 2.322 174 N HA 0.017 4.933 4.740 0.293 0.000 0.216 174 N C -0.197 175.377 175.510 0.108 0.000 1.144 174 N CA -0.152 52.971 53.050 0.122 0.000 0.830 174 N CB 0.098 38.648 38.487 0.106 0.000 1.034 174 N HN 0.525 nan 8.380 nan 0.000 0.484 175 Q N 1.388 121.265 119.800 0.129 0.000 2.296 175 Q HA 0.146 4.662 4.340 0.293 0.000 0.262 175 Q C -0.199 175.865 176.000 0.107 0.000 0.981 175 Q CA 0.461 56.316 55.803 0.087 0.000 0.905 175 Q CB 1.042 29.770 28.738 -0.016 0.000 1.186 175 Q HN 0.173 nan 8.270 nan 0.000 0.399 176 K N 2.132 122.577 120.400 0.075 0.000 2.257 176 K HA 0.307 4.803 4.320 0.293 0.000 0.270 176 K C -0.106 176.534 176.600 0.066 0.000 1.098 176 K CA -0.115 56.214 56.287 0.071 0.000 0.943 176 K CB 0.861 33.392 32.500 0.052 0.000 1.316 176 K HN 0.422 nan 8.250 nan 0.000 0.447 177 T N 0.779 115.390 114.554 0.094 0.000 2.843 177 T HA 0.379 4.904 4.350 0.293 0.000 0.302 177 T C 0.501 175.263 174.700 0.103 0.000 1.232 177 T CA -0.818 61.348 62.100 0.110 0.000 1.009 177 T CB 0.936 69.876 68.868 0.120 0.000 1.254 177 T HN 0.540 nan 8.240 nan 0.000 0.504 178 I N -0.406 120.200 120.570 0.059 0.000 3.883 178 I HA 0.450 4.796 4.170 0.293 0.000 0.326 178 I C -0.589 175.397 176.117 -0.220 0.000 1.283 178 I CA -0.389 60.842 61.300 -0.116 0.000 1.161 178 I CB -0.062 37.776 38.000 -0.270 0.000 1.012 178 I HN 0.327 nan 8.210 nan 0.000 0.421 179 Y N 1.512 121.827 120.300 0.025 0.000 2.376 179 Y HA 0.484 5.212 4.550 0.296 0.000 0.325 179 Y C 0.260 176.221 175.900 0.101 0.000 1.199 179 Y CA -0.736 57.372 58.100 0.013 0.000 1.206 179 Y CB 0.497 38.924 38.460 -0.055 0.000 1.229 179 Y HN -0.053 nan 8.280 nan 0.000 0.480 180 D N 0.971 121.475 120.400 0.174 0.000 2.341 180 D HA 0.223 5.039 4.640 0.293 0.000 0.245 180 D C -1.147 175.225 176.300 0.121 0.000 1.106 180 D CA 0.368 54.428 54.000 0.100 0.000 0.905 180 D CB 0.617 41.442 40.800 0.042 0.000 1.202 180 D HN 0.474 nan 8.370 nan 0.000 0.426 181 Y N -1.578 118.752 120.300 0.050 0.000 2.519 181 Y HA 0.438 5.165 4.550 0.295 0.000 0.336 181 Y C -0.809 175.234 175.900 0.239 0.000 1.089 181 Y CA -1.203 56.956 58.100 0.097 0.000 1.025 181 Y CB 0.695 39.218 38.460 0.105 0.000 1.318 181 Y HN 0.319 nan 8.280 nan 0.000 0.452 182 E N 1.698 122.167 120.200 0.448 0.000 2.249 182 E HA 0.814 5.340 4.350 0.293 0.000 0.263 182 E C -1.693 175.087 176.600 0.299 0.000 0.950 182 E CA -1.350 55.221 56.400 0.285 0.000 0.827 182 E CB 2.737 32.588 29.700 0.252 0.000 1.220 182 E HN 0.463 nan 8.360 nan 0.000 0.411 183 V N 2.508 122.543 119.914 0.200 0.000 2.448 183 V HA 0.345 4.641 4.120 0.293 0.000 0.295 183 V C -0.383 175.783 176.094 0.120 0.000 1.025 183 V CA -0.658 61.743 62.300 0.168 0.000 0.859 183 V CB 1.190 33.085 31.823 0.120 0.000 0.988 183 V HN 0.627 nan 8.190 nan 0.000 0.431 184 I N 5.215 125.852 120.570 0.111 0.000 2.405 184 I HA 0.321 4.667 4.170 0.293 0.000 0.280 184 I C -0.309 175.858 176.117 0.085 0.000 1.027 184 I CA -0.691 60.666 61.300 0.095 0.000 1.161 184 I CB 1.710 39.762 38.000 0.087 0.000 1.300 184 I HN 0.273 nan 8.210 nan 0.000 0.463 185 V N 5.744 125.727 119.914 0.115 0.000 2.439 185 V HA 0.270 4.566 4.120 0.293 0.000 0.271 185 V C 0.834 177.002 176.094 0.123 0.000 1.040 185 V CA -0.254 62.126 62.300 0.134 0.000 1.002 185 V CB 1.016 32.957 31.823 0.197 0.000 1.000 185 V HN 0.804 nan 8.190 nan 0.000 0.477 186 A N 4.178 127.033 122.820 0.058 0.000 2.341 186 A HA 0.458 4.954 4.320 0.293 0.000 0.326 186 A C -0.138 177.458 177.584 0.021 0.000 1.402 186 A CA -0.478 51.561 52.037 0.004 0.000 0.957 186 A CB 0.169 19.170 19.000 0.002 0.000 1.151 186 A HN 0.763 nan 8.150 nan 0.000 0.533 187 D N 2.071 122.475 120.400 0.007 0.000 2.316 187 D HA 0.204 5.020 4.640 0.293 0.000 0.245 187 D C -0.589 175.737 176.300 0.043 0.000 1.171 187 D CA -0.038 54.011 54.000 0.082 0.000 0.856 187 D CB 1.155 42.070 40.800 0.191 0.000 1.090 187 D HN 0.446 nan 8.370 nan 0.000 0.476 188 D N 2.771 123.203 120.400 0.054 0.000 2.741 188 D HA 0.300 5.116 4.640 0.293 0.000 0.233 188 D C 0.858 177.196 176.300 0.062 0.000 1.160 188 D CA -0.146 53.854 54.000 0.000 0.000 1.003 188 D CB -0.773 39.937 40.800 -0.150 0.000 1.064 188 D HN 0.581 nan 8.370 nan 0.000 0.503 189 G N 1.910 110.778 108.800 0.112 0.000 2.338 189 G HA2 -0.266 3.870 3.960 0.293 0.000 0.296 189 G HA3 -0.266 3.870 3.960 0.293 0.000 0.296 189 G C 0.375 175.413 174.900 0.231 0.000 1.040 189 G CA 0.413 45.602 45.100 0.148 0.000 1.004 189 G HN 0.433 nan 8.290 nan 0.000 0.509 190 S N -0.777 115.059 115.700 0.228 0.000 2.572 190 S HA 0.303 4.948 4.470 0.293 0.000 0.279 190 S C 1.521 176.165 174.600 0.073 0.000 1.341 190 S CA 0.253 58.545 58.200 0.153 0.000 1.043 190 S CB 1.871 65.108 63.200 0.062 0.000 0.887 190 S HN 0.605 nan 8.310 nan 0.000 0.516 191 K N 1.595 121.990 120.400 -0.008 0.000 2.128 191 K HA 0.056 4.552 4.320 0.293 0.000 0.202 191 K C 0.244 176.831 176.600 -0.022 0.000 1.050 191 K CA 0.599 56.885 56.287 -0.001 0.000 0.966 191 K CB 0.034 32.523 32.500 -0.017 0.000 0.759 191 K HN 0.664 nan 8.250 nan 0.000 0.454 192 E N 1.558 121.718 120.200 -0.067 0.000 2.422 192 E HA -0.074 4.452 4.350 0.293 0.000 0.260 192 E C -0.276 176.305 176.600 -0.032 0.000 1.108 192 E CA -0.181 56.185 56.400 -0.057 0.000 0.943 192 E CB 0.334 29.981 29.700 -0.087 0.000 0.961 192 E HN 0.141 nan 8.360 nan 0.000 0.443 193 N N 3.005 121.685 118.700 -0.032 0.000 2.508 193 N HA -0.011 4.905 4.740 0.293 0.000 0.253 193 N C 0.401 175.870 175.510 -0.069 0.000 1.145 193 N CA -0.020 53.009 53.050 -0.034 0.000 0.973 193 N CB 0.226 38.694 38.487 -0.033 0.000 1.305 193 N HN 0.401 nan 8.380 nan 0.000 0.506 194 I N 1.663 122.192 120.570 -0.070 0.000 2.439 194 I HA -0.140 4.206 4.170 0.293 0.000 0.251 194 I C 2.188 178.106 176.117 -0.331 0.000 1.139 194 I CA 0.687 61.906 61.300 -0.134 0.000 1.438 194 I CB -0.808 37.179 38.000 -0.021 0.000 1.085 194 I HN 0.618 nan 8.210 nan 0.000 0.427 195 E N 1.380 121.329 120.200 -0.418 0.000 2.130 195 E HA -0.305 4.221 4.350 0.293 0.000 0.196 195 E C 2.019 178.445 176.600 -0.291 0.000 0.998 195 E CA 1.677 57.742 56.400 -0.558 0.000 0.806 195 E CB -0.004 29.524 29.700 -0.288 0.000 0.738 195 E HN 0.585 nan 8.360 nan 0.000 0.459 196 E N -0.000 120.097 120.200 -0.171 0.000 2.160 196 E HA -0.197 4.329 4.350 0.293 0.000 0.195 196 E C 2.049 178.590 176.600 -0.099 0.000 0.991 196 E CA 1.226 57.563 56.400 -0.105 0.000 0.810 196 E CB 0.012 29.671 29.700 -0.069 0.000 0.742 196 E HN 0.272 nan 8.360 nan 0.000 0.466 197 I N 0.739 121.237 120.570 -0.119 0.000 2.163 197 I HA -0.201 4.145 4.170 0.293 0.000 0.240 197 I C 2.528 178.666 176.117 0.035 0.000 1.081 197 I CA 0.717 61.977 61.300 -0.067 0.000 1.353 197 I CB -1.364 36.572 38.000 -0.106 0.000 1.054 197 I HN 0.101 nan 8.210 nan 0.000 0.407 198 V N 1.055 120.916 119.914 -0.087 0.000 2.324 198 V HA -0.307 3.989 4.120 0.293 0.000 0.250 198 V C 2.781 178.891 176.094 0.026 0.000 1.060 198 V CA 2.010 64.282 62.300 -0.047 0.000 1.042 198 V CB -0.871 30.821 31.823 -0.220 0.000 0.650 198 V HN 0.316 nan 8.190 nan 0.000 0.450 199 R N 0.073 120.551 120.500 -0.037 0.000 2.091 199 R HA -0.224 4.292 4.340 0.293 0.000 0.238 199 R C 2.326 178.620 176.300 -0.010 0.000 1.136 199 R CA 1.885 57.973 56.100 -0.020 0.000 0.959 199 R CB -0.359 29.916 30.300 -0.041 0.000 0.856 199 R HN 0.643 nan 8.270 nan 0.000 0.437 200 E N -0.784 119.398 120.200 -0.030 0.000 2.153 200 E HA -0.171 4.355 4.350 0.293 0.000 0.194 200 E C 0.960 177.424 176.600 -0.227 0.000 0.988 200 E CA 1.429 57.748 56.400 -0.135 0.000 0.811 200 E CB -0.098 29.470 29.700 -0.220 0.000 0.746 200 E HN 0.384 nan 8.360 nan 0.000 0.466 201 F N 0.633 120.551 119.950 -0.054 0.000 2.749 201 F HA 0.249 4.954 4.527 0.297 0.000 0.300 201 F C 1.668 177.464 175.800 -0.006 0.000 1.103 201 F CA 0.152 58.139 58.000 -0.023 0.000 1.342 201 F CB 0.195 39.175 39.000 -0.033 0.000 1.098 201 F HN 0.016 nan 8.300 nan 0.000 0.586 202 E N -0.015 120.261 120.200 0.126 0.000 2.233 202 E HA -0.217 4.309 4.350 0.293 0.000 0.199 202 E C 1.685 178.323 176.600 0.064 0.000 1.004 202 E CA 1.628 58.079 56.400 0.085 0.000 0.819 202 E CB -0.283 29.448 29.700 0.051 0.000 0.738 202 E HN 0.342 nan 8.360 nan 0.000 0.478 203 S N -0.643 115.083 115.700 0.043 0.000 2.582 203 S HA 0.231 4.877 4.470 0.293 0.000 0.234 203 S C 1.194 175.818 174.600 0.040 0.000 0.961 203 S CA -0.281 57.937 58.200 0.029 0.000 0.953 203 S CB 0.205 63.409 63.200 0.007 0.000 0.800 203 S HN 0.117 nan 8.310 nan 0.000 0.471 204 L N -0.313 120.960 121.223 0.083 0.000 2.948 204 L HA 0.566 5.082 4.340 0.293 0.000 0.259 204 L C -0.294 176.663 176.870 0.144 0.000 1.136 204 L CA 0.156 55.066 54.840 0.116 0.000 0.959 204 L CB 0.537 42.684 42.059 0.147 0.000 1.370 204 L HN 0.249 nan 8.230 nan 0.000 0.552 205 L N -0.669 120.634 121.223 0.134 0.000 2.469 205 L HA 0.387 4.902 4.340 0.293 0.000 0.256 205 L C -0.814 176.080 176.870 0.041 0.000 1.006 205 L CA -0.728 54.161 54.840 0.081 0.000 0.832 205 L CB 2.013 44.151 42.059 0.132 0.000 1.421 205 L HN -0.081 nan 8.230 nan 0.000 0.410 206 N N 2.969 121.657 118.700 -0.020 0.000 2.739 206 N HA 0.285 5.201 4.740 0.293 0.000 0.266 206 N C -0.849 174.688 175.510 0.044 0.000 1.168 206 N CA 0.207 53.259 53.050 0.003 0.000 1.055 206 N CB 0.832 39.307 38.487 -0.020 0.000 1.393 206 N HN 0.449 nan 8.380 nan 0.000 0.514 207 I N 0.935 121.543 120.570 0.064 0.000 2.441 207 I HA 0.328 4.673 4.170 0.293 0.000 0.295 207 I C -0.553 175.616 176.117 0.087 0.000 0.994 207 I CA -0.728 60.620 61.300 0.080 0.000 1.144 207 I CB 1.230 39.278 38.000 0.080 0.000 1.314 207 I HN -0.026 nan 8.210 nan 0.000 0.445 208 K N 5.364 125.824 120.400 0.099 0.000 2.221 208 K HA 0.481 4.977 4.320 0.293 0.000 0.243 208 K C -1.722 174.985 176.600 0.179 0.000 0.968 208 K CA -0.418 55.936 56.287 0.112 0.000 0.846 208 K CB 1.526 34.072 32.500 0.077 0.000 1.141 208 K HN 0.434 nan 8.250 nan 0.000 0.434 209 Y N 1.205 121.519 120.300 0.024 0.000 2.373 209 Y HA 0.537 5.262 4.550 0.291 0.000 0.336 209 Y C -1.502 174.412 175.900 0.023 0.000 0.979 209 Y CA -1.151 56.961 58.100 0.020 0.000 1.080 209 Y CB 1.172 39.643 38.460 0.018 0.000 1.190 209 Y HN 0.299 nan 8.280 nan 0.000 0.446 210 V N 4.554 124.190 119.914 -0.463 0.000 2.604 210 V HA 0.766 5.061 4.120 0.293 0.000 0.305 210 V C -0.916 174.799 176.094 -0.632 0.000 1.043 210 V CA -1.038 60.996 62.300 -0.444 0.000 0.888 210 V CB 1.813 33.535 31.823 -0.167 0.000 0.995 210 V HN 0.892 nan 8.190 nan 0.000 0.429 211 R N 2.782 122.989 120.500 -0.488 0.000 2.673 211 R HA 0.649 5.165 4.340 0.293 0.000 0.281 211 R C -1.043 175.185 176.300 -0.121 0.000 0.991 211 R CA -0.488 55.425 56.100 -0.312 0.000 0.896 211 R CB 2.465 32.576 30.300 -0.316 0.000 1.201 211 R HN 1.056 nan 8.270 nan 0.000 0.457 212 Q N 2.662 122.442 119.800 -0.033 0.000 2.433 212 Q HA 0.399 4.915 4.340 0.293 0.000 0.279 212 Q C -1.204 174.838 176.000 0.071 0.000 1.105 212 Q CA -1.225 54.590 55.803 0.021 0.000 0.815 212 Q CB 2.303 31.087 28.738 0.076 0.000 1.403 212 Q HN 0.582 nan 8.270 nan 0.000 0.435 213 K N 0.385 120.826 120.400 0.068 0.000 2.219 213 K HA 0.156 4.652 4.320 0.293 0.000 0.258 213 K C -0.428 176.316 176.600 0.241 0.000 1.008 213 K CA -0.643 55.706 56.287 0.104 0.000 0.928 213 K CB 0.473 32.999 32.500 0.043 0.000 0.983 213 K HN 0.583 nan 8.250 nan 0.000 0.484 214 D N 1.508 122.021 120.400 0.189 0.000 2.383 214 D HA -0.023 4.792 4.640 0.293 0.000 0.252 214 D C -0.983 175.479 176.300 0.271 0.000 1.166 214 D CA -0.126 53.981 54.000 0.178 0.000 0.879 214 D CB 0.284 41.156 40.800 0.120 0.000 1.164 214 D HN 0.662 nan 8.370 nan 0.000 0.462 215 Y N 2.076 122.366 120.300 -0.017 0.000 2.919 215 Y HA 0.507 5.236 4.550 0.297 0.000 0.245 215 Y C 0.220 176.116 175.900 -0.008 0.000 0.959 215 Y CA -0.459 57.637 58.100 -0.006 0.000 1.118 215 Y CB 0.078 38.538 38.460 0.000 0.000 1.224 215 Y HN 0.600 nan 8.280 nan 0.000 0.658 216 G N 0.658 109.352 108.800 -0.177 0.000 2.548 216 G HA2 -0.254 3.882 3.960 0.293 0.000 0.208 216 G HA3 -0.254 3.882 3.960 0.293 0.000 0.208 216 G C -1.342 173.377 174.900 -0.301 0.000 1.308 216 G CA -0.669 44.313 45.100 -0.196 0.000 0.924 216 G HN 0.624 nan 8.290 nan 0.000 0.540 217 Y N 2.011 122.120 120.300 -0.318 0.000 2.531 217 Y HA 0.514 5.230 4.550 0.277 0.000 0.347 217 Y C 0.864 176.576 175.900 -0.313 0.000 1.024 217 Y CA 0.397 58.313 58.100 -0.307 0.000 1.306 217 Y CB 0.688 39.041 38.460 -0.179 0.000 1.149 217 Y HN 0.351 nan 8.280 nan 0.000 0.527 218 Q N 7.033 126.559 119.800 -0.456 0.000 2.333 218 Q HA 0.089 4.605 4.340 0.293 0.000 0.365 218 Q C 1.192 177.031 176.000 -0.269 0.000 0.882 218 Q CA -0.064 55.537 55.803 -0.338 0.000 1.124 218 Q CB 0.620 29.031 28.738 -0.546 0.000 1.345 218 Q HN 0.971 nan 8.270 nan 0.000 0.409 219 L N -0.267 120.743 121.223 -0.354 0.000 1.990 219 L HA -0.293 4.223 4.340 0.293 0.000 0.213 219 L C 1.706 178.480 176.870 -0.160 0.000 1.072 219 L CA 1.707 56.375 54.840 -0.287 0.000 0.755 219 L CB -0.045 41.880 42.059 -0.223 0.000 0.889 219 L HN 0.403 nan 8.230 nan 0.000 0.432 220 C N -0.636 118.639 119.300 -0.041 0.000 2.413 220 C HA -0.200 4.435 4.460 0.293 0.000 0.276 220 C C 3.019 178.058 174.990 0.081 0.000 1.248 220 C CA 0.689 59.722 59.018 0.026 0.000 1.742 220 C CB -1.302 26.579 27.740 0.235 0.000 2.017 220 C HN 0.726 nan 8.230 nan 0.000 0.481 221 A N -0.221 122.650 122.820 0.085 0.000 1.851 221 A HA -0.177 4.319 4.320 0.293 0.000 0.216 221 A C 2.398 180.033 177.584 0.084 0.000 1.195 221 A CA 2.176 54.287 52.037 0.124 0.000 0.622 221 A CB -1.225 17.886 19.000 0.185 0.000 0.831 221 A HN 0.364 nan 8.150 nan 0.000 0.444 222 V N 0.094 120.020 119.914 0.019 0.000 2.392 222 V HA -0.286 4.010 4.120 0.293 0.000 0.249 222 V C 2.648 178.746 176.094 0.007 0.000 1.059 222 V CA 2.547 64.847 62.300 0.001 0.000 1.051 222 V CB -0.697 31.095 31.823 -0.051 0.000 0.658 222 V HN 0.615 nan 8.190 nan 0.000 0.455 223 R N 0.028 120.507 120.500 -0.036 0.000 2.083 223 R HA -0.148 4.368 4.340 0.293 0.000 0.237 223 R C 2.115 178.508 176.300 0.154 0.000 1.137 223 R CA 1.851 57.932 56.100 -0.031 0.000 0.951 223 R CB -0.499 29.626 30.300 -0.292 0.000 0.851 223 R HN 0.542 nan 8.270 nan 0.000 0.434 224 N N 0.926 119.770 118.700 0.240 0.000 2.289 224 N HA -0.162 4.754 4.740 0.293 0.000 0.184 224 N C 1.706 177.371 175.510 0.259 0.000 1.016 224 N CA 0.747 54.037 53.050 0.401 0.000 0.872 224 N CB -0.174 38.518 38.487 0.341 0.000 0.973 224 N HN 0.237 nan 8.380 nan 0.000 0.433 225 L N 0.564 121.870 121.223 0.139 0.000 1.976 225 L HA -0.093 4.422 4.340 0.293 0.000 0.209 225 L C 2.093 179.025 176.870 0.102 0.000 1.071 225 L CA 1.840 56.727 54.840 0.079 0.000 0.746 225 L CB -0.926 41.154 42.059 0.035 0.000 0.890 225 L HN 0.166 nan 8.230 nan 0.000 0.432 226 G N -0.261 108.597 108.800 0.098 0.000 2.408 226 G HA2 -0.224 3.912 3.960 0.293 0.000 0.217 226 G HA3 -0.224 3.912 3.960 0.293 0.000 0.217 226 G C 1.622 176.613 174.900 0.152 0.000 1.150 226 G CA 0.618 45.775 45.100 0.095 0.000 0.776 226 G HN 0.345 nan 8.290 nan 0.000 0.542 227 L N -0.144 121.214 121.223 0.225 0.000 2.012 227 L HA -0.128 4.388 4.340 0.293 0.000 0.210 227 L C 3.224 180.320 176.870 0.378 0.000 1.073 227 L CA 1.297 56.304 54.840 0.279 0.000 0.748 227 L CB -0.360 41.920 42.059 0.368 0.000 0.891 227 L HN 0.179 nan 8.230 nan 0.000 0.431 228 R N -0.250 120.532 120.500 0.471 0.000 2.105 228 R HA -0.168 4.347 4.340 0.293 0.000 0.239 228 R C 2.322 178.753 176.300 0.218 0.000 1.135 228 R CA 1.404 57.726 56.100 0.371 0.000 0.967 228 R CB -0.515 29.869 30.300 0.139 0.000 0.861 228 R HN 0.379 nan 8.270 nan 0.000 0.442 229 A N 1.560 124.469 122.820 0.148 0.000 2.015 229 A HA 0.083 4.579 4.320 0.293 0.000 0.219 229 A C 1.202 178.834 177.584 0.079 0.000 1.163 229 A CA 0.806 52.896 52.037 0.089 0.000 0.646 229 A CB -0.304 18.731 19.000 0.058 0.000 0.806 229 A HN 0.365 nan 8.150 nan 0.000 0.448 230 A N 0.512 123.396 122.820 0.105 0.000 2.565 230 A HA 0.279 4.775 4.320 0.293 0.000 0.237 230 A C 1.125 178.731 177.584 0.037 0.000 1.053 230 A CA 0.710 52.794 52.037 0.078 0.000 0.755 230 A CB 0.020 19.079 19.000 0.100 0.000 0.980 230 A HN 0.626 nan 8.150 nan 0.000 0.506 231 K N 1.528 121.879 120.400 -0.082 0.000 2.358 231 K HA 0.170 4.665 4.320 0.293 0.000 0.200 231 K C -0.743 175.741 176.600 -0.193 0.000 1.030 231 K CA -0.102 56.085 56.287 -0.166 0.000 1.097 231 K CB 0.151 32.484 32.500 -0.279 0.000 0.862 231 K HN 0.579 nan 8.250 nan 0.000 0.534 232 Y N 1.312 121.657 120.300 0.075 0.000 2.496 232 Y HA 0.251 4.976 4.550 0.292 0.000 0.325 232 Y C 1.181 177.090 175.900 0.014 0.000 1.271 232 Y CA -1.276 56.871 58.100 0.077 0.000 1.368 232 Y CB 0.546 39.080 38.460 0.123 0.000 1.415 232 Y HN -0.068 nan 8.280 nan 0.000 0.527 233 N N -0.150 118.652 118.700 0.169 0.000 2.336 233 N HA 0.016 4.931 4.740 0.293 0.000 0.189 233 N C -1.398 173.696 175.510 -0.694 0.000 1.113 233 N CA 0.484 53.389 53.050 -0.242 0.000 0.858 233 N CB 0.160 38.437 38.487 -0.350 0.000 0.970 233 N HN 0.446 nan 8.380 nan 0.000 0.471 234 Y N -0.290 120.030 120.300 0.034 0.000 2.421 234 Y HA 0.396 5.120 4.550 0.291 0.000 0.339 234 Y C 0.066 175.893 175.900 -0.121 0.000 0.996 234 Y CA -1.297 56.753 58.100 -0.083 0.000 1.046 234 Y CB 1.565 39.949 38.460 -0.127 0.000 1.226 234 Y HN -0.280 nan 8.280 nan 0.000 0.445 235 V N -0.290 119.508 119.914 -0.193 0.000 2.960 235 V HA 1.063 5.359 4.120 0.293 0.000 0.315 235 V C -0.606 175.248 176.094 -0.399 0.000 1.087 235 V CA -1.195 60.943 62.300 -0.269 0.000 0.982 235 V CB 1.717 33.309 31.823 -0.385 0.000 1.039 235 V HN 0.930 nan 8.190 nan 0.000 0.437 236 A N 3.008 125.707 122.820 -0.201 0.000 2.455 236 A HA 0.895 5.390 4.320 0.293 0.000 0.300 236 A C -0.991 176.627 177.584 0.057 0.000 1.040 236 A CA -0.636 51.326 52.037 -0.125 0.000 0.697 236 A CB 1.350 20.342 19.000 -0.014 0.000 1.265 236 A HN 0.899 nan 8.150 nan 0.000 0.407 237 I N 2.009 122.642 120.570 0.105 0.000 2.404 237 I HA 0.539 4.885 4.170 0.293 0.000 0.293 237 I C -1.028 175.197 176.117 0.179 0.000 0.992 237 I CA -0.749 60.628 61.300 0.130 0.000 1.149 237 I CB 1.738 39.818 38.000 0.133 0.000 1.315 237 I HN 0.506 nan 8.210 nan 0.000 0.446 238 L N 6.024 127.315 121.223 0.115 0.000 2.476 238 L HA 0.481 4.997 4.340 0.293 0.000 0.269 238 L C -0.746 176.106 176.870 -0.029 0.000 0.965 238 L CA -0.315 54.554 54.840 0.048 0.000 0.845 238 L CB 1.435 43.455 42.059 -0.066 0.000 1.259 238 L HN 0.410 nan 8.230 nan 0.000 0.403 239 D N 2.279 122.660 120.400 -0.030 0.000 2.449 239 D HA -0.022 4.794 4.640 0.293 0.000 0.236 239 D C 1.415 177.660 176.300 -0.091 0.000 1.149 239 D CA 0.455 54.426 54.000 -0.048 0.000 0.878 239 D CB 1.047 41.833 40.800 -0.025 0.000 1.198 239 D HN 0.866 nan 8.370 nan 0.000 0.446 240 C N 0.608 119.859 119.300 -0.081 0.000 2.410 240 C HA -0.144 4.492 4.460 0.293 0.000 0.281 240 C C 1.248 176.156 174.990 -0.136 0.000 1.318 240 C CA 0.724 59.682 59.018 -0.100 0.000 1.776 240 C CB -0.718 26.982 27.740 -0.067 0.000 1.942 240 C HN 0.611 nan 8.230 nan 0.000 0.508 241 D N -0.735 119.574 120.400 -0.151 0.000 2.342 241 D HA 0.127 4.943 4.640 0.293 0.000 0.221 241 D C 0.575 176.737 176.300 -0.231 0.000 1.101 241 D CA 0.049 53.927 54.000 -0.202 0.000 0.837 241 D CB -0.442 40.199 40.800 -0.264 0.000 0.938 241 D HN 0.353 nan 8.370 nan 0.000 0.508 242 M N 1.654 121.136 119.600 -0.196 0.000 2.589 242 M HA 0.434 5.089 4.480 0.293 0.000 0.340 242 M C -0.318 175.834 176.300 -0.247 0.000 1.308 242 M CA -0.679 54.511 55.300 -0.183 0.000 1.332 242 M CB 0.600 33.116 32.600 -0.140 0.000 1.219 242 M HN 0.040 nan 8.290 nan 0.000 0.467 243 A N 6.951 129.651 122.820 -0.200 0.000 2.396 243 A HA 0.570 5.066 4.320 0.293 0.000 0.279 243 A C -2.203 175.267 177.584 -0.189 0.000 1.165 243 A CA -0.996 50.902 52.037 -0.232 0.000 0.824 243 A CB -0.345 18.513 19.000 -0.237 0.000 1.100 243 A HN 0.406 nan 8.150 nan 0.000 0.516 244 P HA 0.146 nan 4.420 nan 0.000 0.286 244 P C -0.656 176.584 177.300 -0.101 0.000 1.261 244 P CA -0.602 62.233 63.100 -0.442 0.000 0.821 244 P CB 1.138 32.177 31.700 -1.102 0.000 1.013 245 N N 3.000 121.735 118.700 0.059 0.000 2.424 245 N HA 0.079 4.994 4.740 0.293 0.000 0.257 245 N C -1.938 173.634 175.510 0.103 0.000 1.250 245 N CA -1.479 51.663 53.050 0.154 0.000 0.946 245 N CB -0.303 38.314 38.487 0.216 0.000 1.175 245 N HN 0.135 nan 8.380 nan 0.000 0.477 246 P HA -0.104 nan 4.420 nan 0.000 0.218 246 P C 0.907 178.247 177.300 0.066 0.000 1.146 246 P CA 1.312 64.454 63.100 0.070 0.000 0.820 246 P CB 0.153 31.891 31.700 0.063 0.000 0.778 247 L N -4.659 116.603 121.223 0.065 0.000 2.640 247 L HA 0.159 4.675 4.340 0.293 0.000 0.230 247 L C 1.990 178.861 176.870 0.001 0.000 1.123 247 L CA -0.289 54.566 54.840 0.024 0.000 0.900 247 L CB -0.527 41.532 42.059 -0.000 0.000 1.146 247 L HN 0.018 nan 8.230 nan 0.000 0.484 248 W N 1.332 122.529 121.300 -0.172 0.000 2.292 248 W HA -0.295 4.533 4.660 0.280 0.000 0.330 248 W C 2.256 178.605 176.519 -0.283 0.000 1.264 248 W CA 2.443 59.627 57.345 -0.268 0.000 1.235 248 W CB -0.465 28.869 29.460 -0.211 0.000 1.164 248 W HN -0.153 nan 8.180 nan 0.000 0.461 249 V N 0.260 120.170 119.914 -0.006 0.000 2.255 249 V HA -0.374 3.922 4.120 0.293 0.000 0.247 249 V C 2.287 178.245 176.094 -0.226 0.000 1.051 249 V CA 2.540 64.716 62.300 -0.206 0.000 1.018 249 V CB -1.335 30.337 31.823 -0.252 0.000 0.641 249 V HN 0.329 nan 8.190 nan 0.000 0.445 250 Q N 0.185 119.918 119.800 -0.113 0.000 2.181 250 Q HA -0.172 4.344 4.340 0.293 0.000 0.205 250 Q C 2.222 178.138 176.000 -0.140 0.000 0.980 250 Q CA 2.229 58.001 55.803 -0.052 0.000 0.862 250 Q CB -0.421 28.331 28.738 0.022 0.000 0.905 250 Q HN 0.614 nan 8.270 nan 0.000 0.429 251 S N -0.786 114.780 115.700 -0.223 0.000 2.402 251 S HA -0.075 4.571 4.470 0.293 0.000 0.229 251 S C 1.204 175.634 174.600 -0.283 0.000 1.021 251 S CA 0.880 58.922 58.200 -0.263 0.000 0.974 251 S CB -0.298 62.706 63.200 -0.326 0.000 0.800 251 S HN 0.441 nan 8.310 nan 0.000 0.484 252 Y N 1.125 121.173 120.300 -0.419 0.000 2.176 252 Y HA 0.133 4.854 4.550 0.284 0.000 0.291 252 Y C 2.485 178.120 175.900 -0.441 0.000 1.122 252 Y CA 0.339 58.169 58.100 -0.449 0.000 1.128 252 Y CB -0.737 37.365 38.460 -0.596 0.000 1.005 252 Y HN 0.143 nan 8.280 nan 0.000 0.509 253 M N 0.267 119.650 119.600 -0.360 0.000 2.106 253 M HA -0.248 4.408 4.480 0.293 0.000 0.259 253 M C 1.922 177.852 176.300 -0.616 0.000 1.068 253 M CA 1.519 56.395 55.300 -0.707 0.000 1.100 253 M CB -1.285 30.588 32.600 -1.211 0.000 1.351 253 M HN 0.361 nan 8.290 nan 0.000 0.404 254 E N 0.086 120.085 120.200 -0.335 0.000 2.070 254 E HA -0.207 4.318 4.350 0.293 0.000 0.197 254 E C 2.133 178.638 176.600 -0.158 0.000 1.004 254 E CA 1.295 57.609 56.400 -0.142 0.000 0.805 254 E CB -0.200 29.460 29.700 -0.066 0.000 0.744 254 E HN 0.471 nan 8.360 nan 0.000 0.451 255 L N 0.318 121.436 121.223 -0.175 0.000 2.023 255 L HA -0.153 4.363 4.340 0.293 0.000 0.205 255 L C 2.500 179.266 176.870 -0.173 0.000 1.073 255 L CA 0.750 55.498 54.840 -0.153 0.000 0.745 255 L CB -0.486 41.487 42.059 -0.144 0.000 0.900 255 L HN 0.157 nan 8.230 nan 0.000 0.435 256 L N 0.128 121.213 121.223 -0.231 0.000 2.197 256 L HA -0.259 4.256 4.340 0.293 0.000 0.215 256 L C 2.775 179.476 176.870 -0.281 0.000 1.095 256 L CA 1.173 55.867 54.840 -0.243 0.000 0.764 256 L CB -0.784 41.036 42.059 -0.398 0.000 0.897 256 L HN 0.308 nan 8.230 nan 0.000 0.436 257 A N -0.287 122.344 122.820 -0.316 0.000 2.014 257 A HA -0.086 4.409 4.320 0.293 0.000 0.218 257 A C 2.288 179.820 177.584 -0.087 0.000 1.163 257 A CA 1.481 53.393 52.037 -0.208 0.000 0.652 257 A CB -0.508 18.416 19.000 -0.127 0.000 0.808 257 A HN 0.332 nan 8.150 nan 0.000 0.449 258 V N -2.808 117.057 119.914 -0.082 0.000 2.500 258 V HA 0.157 4.453 4.120 0.293 0.000 0.243 258 V C 0.324 176.392 176.094 -0.043 0.000 1.039 258 V CA 1.453 63.722 62.300 -0.052 0.000 1.053 258 V CB -0.073 31.717 31.823 -0.054 0.000 0.695 258 V HN 0.357 nan 8.190 nan 0.000 0.463 259 D N 0.729 121.102 120.400 -0.045 0.000 2.602 259 D HA 0.208 5.024 4.640 0.293 0.000 0.245 259 D C -0.409 175.908 176.300 0.029 0.000 1.325 259 D CA 0.024 54.011 54.000 -0.022 0.000 0.952 259 D CB 1.668 42.433 40.800 -0.058 0.000 1.317 259 D HN 0.476 nan 8.370 nan 0.000 0.577 260 D N 2.256 122.715 120.400 0.098 0.000 2.342 260 D HA -0.003 4.812 4.640 0.293 0.000 0.221 260 D C -0.083 176.409 176.300 0.319 0.000 1.101 260 D CA -0.138 53.989 54.000 0.211 0.000 0.837 260 D CB 0.115 41.074 40.800 0.264 0.000 0.938 260 D HN 0.118 nan 8.370 nan 0.000 0.508 261 N N 0.448 119.308 118.700 0.267 0.000 2.268 261 N HA 0.048 4.964 4.740 0.293 0.000 0.204 261 N C -0.200 175.483 175.510 0.288 0.000 1.124 261 N CA 0.052 53.383 53.050 0.468 0.000 0.838 261 N CB 1.844 40.532 38.487 0.335 0.000 0.994 261 N HN 0.212 nan 8.380 nan 0.000 0.489 262 V N -0.362 119.618 119.914 0.110 0.000 2.525 262 V HA 0.768 5.063 4.120 0.293 0.000 0.299 262 V C -0.666 175.341 176.094 -0.145 0.000 1.034 262 V CA -0.938 61.317 62.300 -0.075 0.000 0.863 262 V CB 1.287 33.063 31.823 -0.078 0.000 0.999 262 V HN 0.078 nan 8.190 nan 0.000 0.423 263 A N 7.057 129.668 122.820 -0.348 0.000 2.371 263 A HA 0.789 5.285 4.320 0.293 0.000 0.257 263 A C -0.372 177.164 177.584 -0.080 0.000 1.089 263 A CA -0.465 51.469 52.037 -0.172 0.000 0.794 263 A CB 0.370 19.172 19.000 -0.330 0.000 1.029 263 A HN 1.040 nan 8.150 nan 0.000 0.488 264 L N 1.944 123.141 121.223 -0.042 0.000 2.331 264 L HA 0.580 5.096 4.340 0.293 0.000 0.275 264 L C -0.607 176.261 176.870 -0.003 0.000 1.022 264 L CA -0.357 54.450 54.840 -0.055 0.000 0.812 264 L CB 1.581 43.594 42.059 -0.077 0.000 1.257 264 L HN 0.560 nan 8.230 nan 0.000 0.435 265 I N 1.275 121.862 120.570 0.029 0.000 2.436 265 I HA 0.476 4.822 4.170 0.293 0.000 0.289 265 I C 0.299 176.429 176.117 0.020 0.000 1.010 265 I CA -0.366 60.945 61.300 0.018 0.000 1.098 265 I CB 1.998 40.001 38.000 0.006 0.000 1.266 265 I HN 0.629 nan 8.210 nan 0.000 0.434 266 G N 6.567 115.451 108.800 0.140 0.000 2.388 266 G HA2 0.692 4.827 3.960 0.293 0.000 0.330 266 G HA3 0.692 4.827 3.960 0.293 0.000 0.330 266 G C -2.814 172.158 174.900 0.119 0.000 1.142 266 G CA -1.332 43.820 45.100 0.087 0.000 0.908 266 G HN 0.278 nan 8.290 nan 0.000 0.473 267 P HA 0.379 nan 4.420 nan 0.000 0.277 267 P C -0.718 176.547 177.300 -0.057 0.000 1.271 267 P CA -0.462 62.692 63.100 0.089 0.000 0.795 267 P CB 1.430 33.191 31.700 0.102 0.000 1.101 268 R N -0.895 119.517 120.500 -0.146 0.000 2.836 268 R HA 0.729 5.245 4.340 0.293 0.000 0.269 268 R C -0.936 175.140 176.300 -0.373 0.000 1.010 268 R CA -1.123 54.812 56.100 -0.275 0.000 0.930 268 R CB 1.892 32.041 30.300 -0.252 0.000 1.218 268 R HN 0.260 nan 8.270 nan 0.000 0.473 269 K N 1.211 121.357 120.400 -0.422 0.000 2.422 269 K HA 0.334 4.830 4.320 0.293 0.000 0.251 269 K C -1.571 174.907 176.600 -0.202 0.000 0.933 269 K CA -0.841 55.279 56.287 -0.279 0.000 0.798 269 K CB 2.085 34.520 32.500 -0.107 0.000 1.238 269 K HN 0.414 nan 8.250 nan 0.000 0.428 270 Y N 3.126 123.499 120.300 0.120 0.000 2.327 270 Y HA 0.407 5.104 4.550 0.245 0.000 0.336 270 Y C 0.530 176.535 175.900 0.175 0.000 1.035 270 Y CA -0.679 57.507 58.100 0.143 0.000 1.165 270 Y CB 0.553 39.039 38.460 0.043 0.000 1.181 270 Y HN 0.407 nan 8.280 nan 0.000 0.494 271 I N -0.227 120.555 120.570 0.353 0.000 3.074 271 I HA 0.611 4.957 4.170 0.293 0.000 0.310 271 I C -1.332 174.915 176.117 0.218 0.000 1.153 271 I CA -1.437 60.014 61.300 0.250 0.000 0.993 271 I CB 2.631 40.753 38.000 0.204 0.000 1.237 271 I HN 0.392 nan 8.210 nan 0.000 0.443 272 D N 1.631 122.135 120.400 0.173 0.000 2.249 272 D HA 0.252 5.068 4.640 0.293 0.000 0.246 272 D C -0.016 176.392 176.300 0.179 0.000 1.114 272 D CA -0.495 53.597 54.000 0.153 0.000 0.854 272 D CB 2.076 42.948 40.800 0.121 0.000 1.132 272 D HN 0.677 nan 8.370 nan 0.000 0.461 273 T N 0.101 114.762 114.554 0.179 0.000 2.975 273 T HA -0.021 4.505 4.350 0.293 0.000 0.261 273 T C 1.761 176.602 174.700 0.235 0.000 0.984 273 T CA 0.593 62.843 62.100 0.251 0.000 0.911 273 T CB -0.020 68.962 68.868 0.191 0.000 1.127 273 T HN 0.509 nan 8.240 nan 0.000 0.514 274 S N 1.674 117.458 115.700 0.141 0.000 2.428 274 S HA -0.145 4.500 4.470 0.293 0.000 0.240 274 S C 1.633 176.259 174.600 0.043 0.000 1.036 274 S CA 0.999 59.254 58.200 0.091 0.000 1.009 274 S CB -0.388 62.847 63.200 0.058 0.000 0.803 274 S HN 0.264 nan 8.310 nan 0.000 0.486 275 K N 1.398 121.792 120.400 -0.010 0.000 2.505 275 K HA 0.220 4.716 4.320 0.293 0.000 0.192 275 K C 0.160 176.482 176.600 -0.464 0.000 1.025 275 K CA 0.312 56.470 56.287 -0.215 0.000 1.086 275 K CB -0.294 32.036 32.500 -0.283 0.000 0.840 275 K HN 0.666 nan 8.250 nan 0.000 0.514 276 H N -0.696 118.406 119.070 0.052 0.000 2.949 276 H HA 0.306 5.037 4.556 0.292 0.000 0.356 276 H C -0.033 175.359 175.328 0.107 0.000 1.212 276 H CA -0.551 55.512 56.048 0.025 0.000 1.136 276 H CB 2.065 31.801 29.762 -0.044 0.000 1.869 276 H HN -0.013 nan 8.280 nan 0.000 0.556 277 T N -2.128 112.550 114.554 0.208 0.000 2.924 277 T HA 0.202 4.728 4.350 0.293 0.000 0.291 277 T C 1.210 176.055 174.700 0.241 0.000 1.045 277 T CA -0.838 61.364 62.100 0.170 0.000 1.015 277 T CB 0.985 69.838 68.868 -0.024 0.000 1.103 277 T HN 0.660 nan 8.240 nan 0.000 0.496 278 Y N 1.084 121.543 120.300 0.265 0.000 2.181 278 Y HA -0.091 4.634 4.550 0.292 0.000 0.284 278 Y C 1.841 177.909 175.900 0.279 0.000 1.179 278 Y CA 1.040 59.334 58.100 0.325 0.000 1.179 278 Y CB -1.176 37.456 38.460 0.288 0.000 0.973 278 Y HN 0.473 nan 8.280 nan 0.000 0.519 279 L N 0.488 121.427 121.223 -0.473 0.000 2.191 279 L HA -0.195 4.321 4.340 0.293 0.000 0.212 279 L C 2.016 178.823 176.870 -0.105 0.000 1.103 279 L CA 1.330 55.984 54.840 -0.309 0.000 0.769 279 L CB -0.609 41.176 42.059 -0.458 0.000 0.908 279 L HN 0.266 nan 8.230 nan 0.000 0.438 280 D N 0.110 120.447 120.400 -0.105 0.000 2.084 280 D HA -0.181 4.634 4.640 0.293 0.000 0.194 280 D C 2.086 178.223 176.300 -0.270 0.000 0.990 280 D CA 1.547 55.418 54.000 -0.216 0.000 0.826 280 D CB -0.277 40.328 40.800 -0.324 0.000 0.971 280 D HN 0.238 nan 8.370 nan 0.000 0.453 281 F N 0.786 120.719 119.950 -0.028 0.000 2.186 281 F HA -0.011 4.695 4.527 0.298 0.000 0.299 281 F C 2.482 178.293 175.800 0.019 0.000 1.090 281 F CA 0.365 58.351 58.000 -0.024 0.000 1.307 281 F CB -0.538 38.460 39.000 -0.003 0.000 1.019 281 F HN -0.088 nan 8.300 nan 0.000 0.489 282 L N -0.156 121.204 121.223 0.228 0.000 2.042 282 L HA -0.273 4.243 4.340 0.293 0.000 0.210 282 L C 2.690 179.609 176.870 0.081 0.000 1.076 282 L CA 1.858 56.798 54.840 0.167 0.000 0.749 282 L CB -0.866 41.284 42.059 0.151 0.000 0.893 282 L HN 0.293 nan 8.230 nan 0.000 0.432 283 S N -0.934 114.780 115.700 0.024 0.000 2.335 283 S HA -0.179 4.466 4.470 0.293 0.000 0.217 283 S C 1.127 175.720 174.600 -0.013 0.000 1.032 283 S CA 0.324 58.520 58.200 -0.007 0.000 0.985 283 S CB -0.442 62.735 63.200 -0.039 0.000 0.896 283 S HN 0.377 nan 8.310 nan 0.000 0.445 284 Q N 1.538 121.309 119.800 -0.049 0.000 2.553 284 Q HA 0.318 4.833 4.340 0.293 0.000 0.221 284 Q C 0.068 176.063 176.000 -0.009 0.000 1.219 284 Q CA -0.177 55.591 55.803 -0.059 0.000 0.955 284 Q CB 0.552 29.206 28.738 -0.139 0.000 1.399 284 Q HN 0.437 nan 8.270 nan 0.000 0.551 285 K N 0.166 120.581 120.400 0.024 0.000 2.589 285 K HA -0.028 4.468 4.320 0.293 0.000 0.192 285 K C 0.958 177.586 176.600 0.047 0.000 1.029 285 K CA 0.333 56.654 56.287 0.057 0.000 1.031 285 K CB 0.293 32.827 32.500 0.057 0.000 0.821 285 K HN 0.197 nan 8.250 nan 0.000 0.502 286 S N 0.090 115.802 115.700 0.019 0.000 2.900 286 S HA 0.101 4.747 4.470 0.293 0.000 0.253 286 S C 0.854 175.443 174.600 -0.018 0.000 1.029 286 S CA -0.327 57.879 58.200 0.010 0.000 1.096 286 S CB 0.165 63.367 63.200 0.004 0.000 1.067 286 S HN 0.219 nan 8.310 nan 0.000 0.610 287 L N 1.587 122.792 121.223 -0.030 0.000 2.072 287 L HA 0.261 4.777 4.340 0.293 0.000 0.205 287 L C 1.831 178.671 176.870 -0.050 0.000 1.079 287 L CA 1.602 56.381 54.840 -0.102 0.000 0.752 287 L CB -0.608 41.274 42.059 -0.295 0.000 0.906 287 L HN 0.438 nan 8.230 nan 0.000 0.436 288 I N 0.371 120.988 120.570 0.079 0.000 2.399 288 I HA -0.340 4.005 4.170 0.293 0.000 0.254 288 I C 1.824 177.635 176.117 -0.509 0.000 1.146 288 I CA 1.662 62.896 61.300 -0.109 0.000 1.412 288 I CB -0.693 37.211 38.000 -0.161 0.000 1.076 288 I HN 0.468 nan 8.210 nan 0.000 0.432 289 N N -0.484 118.054 118.700 -0.269 0.000 2.398 289 N HA -0.028 4.888 4.740 0.293 0.000 0.188 289 N C 1.170 176.612 175.510 -0.112 0.000 1.122 289 N CA 0.343 53.278 53.050 -0.191 0.000 0.866 289 N CB 0.157 38.642 38.487 -0.002 0.000 0.970 289 N HN 0.479 nan 8.380 nan 0.000 0.462 290 E N 0.236 120.366 120.200 -0.117 0.000 2.447 290 E HA 0.170 4.696 4.350 0.293 0.000 0.204 290 E C -0.044 176.528 176.600 -0.047 0.000 0.977 290 E CA -0.086 56.277 56.400 -0.062 0.000 0.950 290 E CB 0.825 30.491 29.700 -0.057 0.000 0.975 290 E HN 0.253 nan 8.360 nan 0.000 0.496 291 I N 4.817 125.344 120.570 -0.072 0.000 2.598 291 I HA 0.046 4.392 4.170 0.293 0.000 0.284 291 I C -1.886 174.246 176.117 0.025 0.000 1.140 291 I CA -1.722 59.576 61.300 -0.003 0.000 1.420 291 I CB 0.203 38.219 38.000 0.028 0.000 1.387 291 I HN -0.114 nan 8.210 nan 0.000 0.553 292 P HA 0.093 nan 4.420 nan 0.000 0.268 292 P C -0.465 176.897 177.300 0.105 0.000 1.205 292 P CA -0.155 62.990 63.100 0.075 0.000 0.771 292 P CB 0.730 32.469 31.700 0.065 0.000 0.858 293 E N 1.046 121.318 120.200 0.120 0.000 2.410 293 E HA 0.262 4.788 4.350 0.293 0.000 0.255 293 E C 0.641 177.319 176.600 0.129 0.000 1.194 293 E CA -0.228 56.262 56.400 0.150 0.000 0.955 293 E CB 0.302 30.093 29.700 0.153 0.000 0.988 293 E HN 0.490 nan 8.360 nan 0.000 0.461 294 I N -3.225 117.433 120.570 0.146 0.000 3.722 294 I HA 0.477 4.823 4.170 0.293 0.000 0.285 294 I C -0.899 175.268 176.117 0.083 0.000 1.140 294 I CA -1.089 60.274 61.300 0.105 0.000 1.178 294 I CB 1.280 39.342 38.000 0.102 0.000 1.359 294 I HN 0.292 nan 8.210 nan 0.000 0.456 295 I N 1.738 122.332 120.570 0.039 0.000 2.595 295 I HA 0.280 4.626 4.170 0.293 0.000 0.275 295 I C -0.048 176.033 176.117 -0.059 0.000 1.092 295 I CA -0.328 60.969 61.300 -0.005 0.000 1.145 295 I CB 1.175 39.176 38.000 0.002 0.000 1.276 295 I HN 0.648 nan 8.210 nan 0.000 0.497 296 T N 3.438 117.895 114.554 -0.162 0.000 2.895 296 T HA 0.105 4.631 4.350 0.293 0.000 0.386 296 T C 0.481 175.067 174.700 -0.189 0.000 1.112 296 T CA -0.094 61.859 62.100 -0.244 0.000 1.070 296 T CB 0.396 68.883 68.868 -0.635 0.000 1.319 296 T HN 0.523 nan 8.240 nan 0.000 0.519 307 N N -0.950 117.772 118.700 0.036 0.000 2.936 307 N HA -0.195 4.721 4.740 0.293 0.000 0.236 307 N C -0.266 175.271 175.510 0.044 0.000 0.930 307 N CA 2.671 55.742 53.050 0.034 0.000 0.966 307 N CB -0.883 37.623 38.487 0.032 0.000 1.090 307 N HN 1.196 nan 8.380 nan 0.000 0.592 308 K N -1.902 118.531 120.400 0.055 0.000 2.562 308 K HA 0.596 5.092 4.320 0.293 0.000 0.267 308 K C -1.266 175.389 176.600 0.091 0.000 0.938 308 K CA -0.763 55.570 56.287 0.077 0.000 0.840 308 K CB 1.298 33.852 32.500 0.089 0.000 1.390 308 K HN -0.061 nan 8.250 nan 0.000 0.428 309 S N 1.317 117.086 115.700 0.114 0.000 2.545 309 S HA 0.411 5.057 4.470 0.293 0.000 0.275 309 S C -0.030 174.745 174.600 0.291 0.000 1.299 309 S CA -0.641 57.644 58.200 0.141 0.000 1.048 309 S CB 0.919 64.113 63.200 -0.010 0.000 0.938 309 S HN 0.516 nan 8.310 nan 0.000 0.496 310 V N -0.019 120.046 119.914 0.252 0.000 3.074 310 V HA 0.583 4.879 4.120 0.293 0.000 0.314 310 V C -0.425 175.815 176.094 0.243 0.000 1.117 310 V CA -1.277 61.149 62.300 0.211 0.000 1.014 310 V CB 1.769 33.660 31.823 0.113 0.000 1.057 310 V HN 0.638 nan 8.190 nan 0.000 0.438 311 D N 3.517 123.968 120.400 0.086 0.000 2.349 311 D HA 0.012 4.828 4.640 0.293 0.000 0.266 311 D C 1.267 177.572 176.300 0.009 0.000 1.293 311 D CA -0.221 53.787 54.000 0.013 0.000 0.926 311 D CB 0.515 41.223 40.800 -0.152 0.000 1.090 311 D HN 0.846 nan 8.370 nan 0.000 0.502 312 W N 5.155 126.483 121.300 0.046 0.000 2.341 312 W HA -0.194 4.533 4.660 0.112 0.000 0.283 312 W C 0.936 177.485 176.519 0.051 0.000 1.215 312 W CA 0.153 57.530 57.345 0.054 0.000 1.211 312 W CB -0.640 28.868 29.460 0.079 0.000 1.131 312 W HN 0.366 nan 8.180 nan 0.000 0.552 313 R N 0.689 120.620 120.500 -0.949 0.000 2.148 313 R HA -0.025 4.491 4.340 0.293 0.000 0.223 313 R C 2.373 178.023 176.300 -1.084 0.000 1.088 313 R CA 1.566 56.934 56.100 -1.220 0.000 0.985 313 R CB -0.513 28.892 30.300 -1.492 0.000 0.880 313 R HN 0.228 nan 8.270 nan 0.000 0.451 314 I N 1.107 121.262 120.570 -0.691 0.000 2.151 314 I HA -0.332 4.013 4.170 0.293 0.000 0.243 314 I C 2.550 178.523 176.117 -0.239 0.000 1.080 314 I CA 1.572 62.623 61.300 -0.415 0.000 1.339 314 I CB -0.320 37.585 38.000 -0.159 0.000 1.039 314 I HN 0.186 nan 8.210 nan 0.000 0.409 315 E N 0.822 120.922 120.200 -0.167 0.000 2.070 315 E HA -0.278 4.248 4.350 0.293 0.000 0.197 315 E C 2.213 178.710 176.600 -0.172 0.000 1.004 315 E CA 1.804 58.123 56.400 -0.134 0.000 0.805 315 E CB -0.204 29.417 29.700 -0.132 0.000 0.744 315 E HN 0.490 nan 8.360 nan 0.000 0.451 316 H N -1.001 117.953 119.070 -0.193 0.000 2.353 316 H HA -0.134 4.600 4.556 0.298 0.000 0.300 316 H C 2.015 177.234 175.328 -0.181 0.000 1.090 316 H CA 1.581 57.506 56.048 -0.205 0.000 1.327 316 H CB -0.350 29.226 29.762 -0.310 0.000 1.383 316 H HN 0.258 nan 8.280 nan 0.000 0.508 317 F N 1.849 121.678 119.950 -0.201 0.000 2.091 317 F HA -0.223 4.476 4.527 0.287 0.000 0.299 317 F C 2.519 178.250 175.800 -0.116 0.000 1.103 317 F CA 1.372 59.246 58.000 -0.210 0.000 1.228 317 F CB -0.641 38.252 39.000 -0.179 0.000 0.984 317 F HN 0.265 nan 8.300 nan 0.000 0.477 318 K N -0.397 120.069 120.400 0.110 0.000 2.217 318 K HA -0.126 4.370 4.320 0.293 0.000 0.202 318 K C 1.545 178.158 176.600 0.021 0.000 1.051 318 K CA 1.619 57.936 56.287 0.050 0.000 0.952 318 K CB -0.555 31.961 32.500 0.027 0.000 0.736 318 K HN 0.130 nan 8.250 nan 0.000 0.453 319 N N 1.145 119.847 118.700 0.003 0.000 2.244 319 N HA -0.088 4.828 4.740 0.293 0.000 0.183 319 N C 0.964 176.479 175.510 0.008 0.000 1.016 319 N CA 1.685 54.731 53.050 -0.005 0.000 0.866 319 N CB 0.003 38.473 38.487 -0.029 0.000 0.980 319 N HN 0.498 nan 8.380 nan 0.000 0.430 320 T N -2.874 111.688 114.554 0.014 0.000 3.243 320 T HA 0.154 4.679 4.350 0.293 0.000 0.264 320 T C -0.063 174.639 174.700 0.004 0.000 1.000 320 T CA -0.403 61.700 62.100 0.006 0.000 0.901 320 T CB -0.074 68.790 68.868 -0.006 0.000 1.083 320 T HN -0.002 nan 8.240 nan 0.000 0.559 321 D N 2.864 123.272 120.400 0.013 0.000 2.697 321 D HA -0.230 4.586 4.640 0.293 0.000 0.235 321 D C -0.157 176.169 176.300 0.043 0.000 1.167 321 D CA 0.837 54.848 54.000 0.019 0.000 0.656 321 D CB -2.024 38.775 40.800 -0.002 0.000 1.025 321 D HN 0.600 nan 8.370 nan 0.000 0.419 322 N N -0.029 118.693 118.700 0.036 0.000 2.756 322 N HA -0.239 4.676 4.740 0.293 0.000 0.248 322 N C 0.938 176.474 175.510 0.043 0.000 1.062 322 N CA 1.072 54.117 53.050 -0.008 0.000 0.696 322 N CB -1.183 37.309 38.487 0.007 0.000 0.946 322 N HN 0.710 nan 8.380 nan 0.000 0.548 323 L N -3.482 117.747 121.223 0.010 0.000 5.044 323 L HA -0.327 4.189 4.340 0.293 0.000 0.412 323 L C 1.761 178.683 176.870 0.086 0.000 0.971 323 L CA 1.613 56.477 54.840 0.041 0.000 1.411 323 L CB -1.059 41.043 42.059 0.073 0.000 1.884 323 L HN 0.378 nan 8.230 nan 0.000 0.631 324 R N 0.621 121.108 120.500 -0.021 0.000 2.148 324 R HA -0.065 4.451 4.340 0.293 0.000 0.227 324 R C 1.419 177.657 176.300 -0.104 0.000 1.103 324 R CA 1.100 57.043 56.100 -0.261 0.000 0.983 324 R CB 0.154 30.183 30.300 -0.452 0.000 0.874 324 R HN 0.324 nan 8.270 nan 0.000 0.451 325 L N -0.130 121.067 121.223 -0.043 0.000 2.700 325 L HA 0.169 4.685 4.340 0.293 0.000 0.234 325 L C 0.169 177.042 176.870 0.007 0.000 1.156 325 L CA 0.064 54.895 54.840 -0.014 0.000 0.946 325 L CB -0.555 41.497 42.059 -0.010 0.000 1.216 325 L HN 0.156 nan 8.230 nan 0.000 0.493 326 C N 1.083 120.389 119.300 0.010 0.000 2.307 326 C HA 0.332 4.967 4.460 0.293 0.000 0.340 326 C C 1.697 176.684 174.990 -0.005 0.000 1.275 326 C CA -0.468 58.548 59.018 -0.004 0.000 1.811 326 C CB 0.110 27.842 27.740 -0.013 0.000 2.372 326 C HN 0.369 nan 8.230 nan 0.000 0.531 327 N N 2.084 120.768 118.700 -0.026 0.000 2.322 327 N HA 0.045 4.961 4.740 0.293 0.000 0.194 327 N C 0.553 176.017 175.510 -0.078 0.000 1.126 327 N CA 0.529 53.606 53.050 0.045 0.000 0.845 327 N CB 0.398 38.966 38.487 0.135 0.000 0.976 327 N HN 0.919 nan 8.380 nan 0.000 0.475 328 T N -2.586 111.741 114.554 -0.379 0.000 3.866 328 T HA 0.222 4.748 4.350 0.293 0.000 0.241 328 T C -2.042 172.035 174.700 -1.039 0.000 1.017 328 T CA -1.040 60.539 62.100 -0.870 0.000 1.300 328 T CB 1.357 69.520 68.868 -1.176 0.000 0.968 328 T HN -0.132 nan 8.240 nan 0.000 0.595 329 P HA -0.149 nan 4.420 nan 0.000 0.218 329 P C 1.415 178.311 177.300 -0.673 0.000 1.146 329 P CA 0.936 63.740 63.100 -0.494 0.000 0.813 329 P CB -0.384 31.056 31.700 -0.433 0.000 0.778 330 F N -0.153 119.332 119.950 -0.775 0.000 2.546 330 F HA 0.092 4.791 4.527 0.287 0.000 0.298 330 F C 2.008 177.726 175.800 -0.138 0.000 1.120 330 F CA 0.075 57.775 58.000 -0.500 0.000 1.456 330 F CB -1.640 37.131 39.000 -0.382 0.000 1.088 330 F HN -0.268 nan 8.300 nan 0.000 0.572 331 R N -0.216 119.885 120.500 -0.664 0.000 2.357 331 R HA -0.004 4.512 4.340 0.293 0.000 0.202 331 R C 0.275 176.171 176.300 -0.673 0.000 1.047 331 R CA 0.749 56.506 56.100 -0.572 0.000 1.034 331 R CB -0.468 29.308 30.300 -0.872 0.000 0.875 331 R HN 0.410 nan 8.270 nan 0.000 0.473 332 F N -2.215 117.739 119.950 0.005 0.000 2.798 332 F HA 0.169 4.869 4.527 0.288 0.000 0.328 332 F C 0.319 176.239 175.800 0.200 0.000 1.098 332 F CA -0.831 57.209 58.000 0.066 0.000 1.172 332 F CB 0.282 39.348 39.000 0.110 0.000 1.072 332 F HN -0.171 nan 8.300 nan 0.000 0.555 333 F N 1.975 122.072 119.950 0.246 0.000 2.506 333 F HA 0.377 5.081 4.527 0.295 0.000 0.371 333 F C 0.375 176.345 175.800 0.282 0.000 1.078 333 F CA 0.244 58.427 58.000 0.304 0.000 1.195 333 F CB 0.413 39.621 39.000 0.347 0.000 1.099 333 F HN -0.276 nan 8.300 nan 0.000 0.548 334 S N 4.404 120.086 115.700 -0.029 0.000 2.707 334 S HA 0.289 4.935 4.470 0.293 0.000 0.312 334 S C 1.022 175.619 174.600 -0.006 0.000 1.116 334 S CA -0.317 57.939 58.200 0.093 0.000 1.078 334 S CB 1.458 64.737 63.200 0.131 0.000 0.997 334 S HN 0.982 nan 8.310 nan 0.000 0.477 335 G N 2.720 111.603 108.800 0.138 0.000 2.562 335 G HA2 -0.226 3.910 3.960 0.293 0.000 0.223 335 G HA3 -0.226 3.910 3.960 0.293 0.000 0.223 335 G C 1.290 176.223 174.900 0.054 0.000 1.102 335 G CA 1.060 46.232 45.100 0.120 0.000 0.742 335 G HN 0.781 nan 8.290 nan 0.000 0.587 336 G N -0.657 108.181 108.800 0.063 0.000 2.679 336 G HA2 0.044 4.180 3.960 0.293 0.000 0.212 336 G HA3 0.044 4.180 3.960 0.293 0.000 0.212 336 G C 0.576 175.534 174.900 0.096 0.000 1.137 336 G CA 0.564 45.703 45.100 0.065 0.000 0.787 336 G HN 0.484 nan 8.290 nan 0.000 0.534 337 N N -0.630 118.140 118.700 0.116 0.000 2.824 337 N HA 0.260 5.176 4.740 0.293 0.000 0.224 337 N C -0.880 174.750 175.510 0.200 0.000 1.418 337 N CA -0.230 52.963 53.050 0.238 0.000 0.743 337 N CB 0.934 39.549 38.487 0.214 0.000 1.395 337 N HN 0.184 nan 8.380 nan 0.000 0.548 338 V N -0.926 119.071 119.914 0.139 0.000 3.181 338 V HA 1.086 5.382 4.120 0.293 0.000 0.308 338 V C -1.005 174.917 176.094 -0.285 0.000 1.214 338 V CA -0.883 61.373 62.300 -0.072 0.000 1.053 338 V CB 1.500 33.180 31.823 -0.239 0.000 1.069 338 V HN 0.440 nan 8.190 nan 0.000 0.441 339 A N 1.757 124.287 122.820 -0.482 0.000 2.574 339 A HA 1.055 5.551 4.320 0.293 0.000 0.297 339 A C -1.169 176.322 177.584 -0.155 0.000 1.062 339 A CA -0.269 51.372 52.037 -0.660 0.000 0.686 339 A CB 1.659 19.698 19.000 -1.602 0.000 1.285 339 A HN 2.408 nan 8.150 nan 0.000 0.403 340 F N -1.207 118.660 119.950 -0.138 0.000 2.769 340 F HA 0.730 5.429 4.527 0.286 0.000 0.313 340 F C -0.099 175.769 175.800 0.114 0.000 1.146 340 F CA -0.680 57.323 58.000 0.005 0.000 0.934 340 F CB 0.689 39.703 39.000 0.023 0.000 1.283 340 F HN 1.181 nan 8.300 nan 0.000 0.443 341 A N 2.241 125.316 122.820 0.426 0.000 2.520 341 A HA 0.231 4.727 4.320 0.293 0.000 0.245 341 A C 1.298 178.960 177.584 0.131 0.000 1.072 341 A CA 0.140 52.261 52.037 0.141 0.000 0.761 341 A CB 0.337 19.410 19.000 0.121 0.000 1.004 341 A HN 0.992 nan 8.150 nan 0.000 0.499 342 K N 2.257 122.559 120.400 -0.163 0.000 2.152 342 K HA -0.228 4.268 4.320 0.293 0.000 0.206 342 K C 2.035 178.465 176.600 -0.283 0.000 1.048 342 K CA 2.011 58.179 56.287 -0.198 0.000 0.933 342 K CB -0.138 32.260 32.500 -0.170 0.000 0.721 342 K HN 0.871 nan 8.250 nan 0.000 0.447 343 K N -0.482 119.809 120.400 -0.182 0.000 2.127 343 K HA -0.215 4.280 4.320 0.293 0.000 0.208 343 K C 1.608 178.026 176.600 -0.304 0.000 1.047 343 K CA 2.010 58.203 56.287 -0.156 0.000 0.927 343 K CB -0.701 31.629 32.500 -0.283 0.000 0.716 343 K HN 0.277 nan 8.250 nan 0.000 0.450 344 W N 1.556 122.764 121.300 -0.153 0.000 2.364 344 W HA -0.042 4.799 4.660 0.300 0.000 0.281 344 W C 2.008 178.320 176.519 -0.345 0.000 1.219 344 W CA 0.541 57.756 57.345 -0.217 0.000 1.220 344 W CB -0.175 29.141 29.460 -0.238 0.000 1.127 344 W HN 0.003 nan 8.180 nan 0.000 0.556 345 L N -1.280 119.726 121.223 -0.362 0.000 2.083 345 L HA -0.206 4.310 4.340 0.293 0.000 0.209 345 L C 1.932 178.469 176.870 -0.554 0.000 1.083 345 L CA 1.133 55.527 54.840 -0.743 0.000 0.752 345 L CB -0.769 40.366 42.059 -1.540 0.000 0.899 345 L HN -0.016 nan 8.230 nan 0.000 0.433 346 F N -1.026 118.877 119.950 -0.079 0.000 2.558 346 F HA -0.003 4.703 4.527 0.298 0.000 0.298 346 F C 2.606 178.419 175.800 0.021 0.000 1.119 346 F CA 0.609 58.639 58.000 0.050 0.000 1.451 346 F CB -0.504 38.516 39.000 0.033 0.000 1.091 346 F HN -0.079 nan 8.300 nan 0.000 0.563 347 R N -0.349 120.194 120.500 0.071 0.000 2.146 347 R HA 0.253 4.769 4.340 0.293 0.000 0.206 347 R C 1.920 178.251 176.300 0.051 0.000 1.049 347 R CA 0.888 57.013 56.100 0.042 0.000 1.029 347 R CB 0.010 30.267 30.300 -0.072 0.000 0.949 347 R HN 0.217 nan 8.270 nan 0.000 0.471 348 A N -0.071 122.758 122.820 0.016 0.000 2.140 348 A HA 0.391 4.887 4.320 0.293 0.000 0.209 348 A C 0.615 178.165 177.584 -0.058 0.000 1.181 348 A CA 0.745 52.735 52.037 -0.079 0.000 0.824 348 A CB 0.540 19.388 19.000 -0.253 0.000 0.879 348 A HN 0.448 nan 8.150 nan 0.000 0.480 349 G N -2.384 106.424 108.800 0.014 0.000 2.498 349 G HA2 0.008 4.144 3.960 0.293 0.000 0.651 349 G HA3 0.008 4.144 3.960 0.293 0.000 0.651 349 G C -0.678 174.324 174.900 0.169 0.000 1.284 349 G CA -0.478 44.735 45.100 0.189 0.000 0.950 349 G HN 0.509 nan 8.290 nan 0.000 0.511 350 W N -1.052 120.354 121.300 0.177 0.000 2.568 350 W HA 0.791 5.626 4.660 0.291 0.000 0.396 350 W C 0.482 177.131 176.519 0.216 0.000 1.554 350 W CA -1.042 56.430 57.345 0.211 0.000 1.605 350 W CB 0.026 29.605 29.460 0.199 0.000 1.543 350 W HN 0.402 nan 8.180 nan 0.000 0.692 351 F N 1.806 122.002 119.950 0.410 0.000 2.572 351 F HA -0.012 4.686 4.527 0.285 0.000 0.370 351 F C 1.043 177.048 175.800 0.342 0.000 1.103 351 F CA 0.263 58.432 58.000 0.283 0.000 1.286 351 F CB 0.091 39.152 39.000 0.103 0.000 1.105 351 F HN -0.010 nan 8.300 nan 0.000 0.583 352 D N 3.613 124.351 120.400 0.563 0.000 2.338 352 D HA 0.011 4.826 4.640 0.293 0.000 0.255 352 D C 0.492 177.053 176.300 0.435 0.000 1.237 352 D CA 0.131 54.414 54.000 0.472 0.000 0.883 352 D CB 0.477 41.603 40.800 0.544 0.000 1.087 352 D HN 0.623 nan 8.370 nan 0.000 0.485 353 E N 2.229 122.607 120.200 0.297 0.000 2.512 353 E HA -0.057 4.468 4.350 0.293 0.000 0.195 353 E C 0.861 177.566 176.600 0.175 0.000 1.083 353 E CA 0.245 56.789 56.400 0.240 0.000 0.873 353 E CB 0.427 30.247 29.700 0.201 0.000 0.897 353 E HN 0.591 nan 8.360 nan 0.000 0.514 354 E N -0.126 120.141 120.200 0.111 0.000 2.250 354 E HA -0.005 4.521 4.350 0.293 0.000 0.192 354 E C -0.143 176.437 176.600 -0.033 0.000 0.986 354 E CA -0.094 56.301 56.400 -0.009 0.000 0.849 354 E CB 0.208 29.829 29.700 -0.131 0.000 0.797 354 E HN 0.107 nan 8.360 nan 0.000 0.482 355 F N 1.838 121.861 119.950 0.122 0.000 2.607 355 F HA -0.047 4.671 4.527 0.318 0.000 0.374 355 F C 1.451 177.301 175.800 0.082 0.000 1.104 355 F CA 0.259 58.324 58.000 0.108 0.000 1.296 355 F CB 0.504 39.590 39.000 0.143 0.000 1.085 355 F HN -0.105 nan 8.300 nan 0.000 0.584 356 T N -0.492 114.196 114.554 0.223 0.000 2.864 356 T HA 0.175 4.701 4.350 0.293 0.000 0.276 356 T C 1.400 175.943 174.700 -0.262 0.000 1.006 356 T CA -0.074 62.035 62.100 0.015 0.000 0.970 356 T CB 0.619 69.464 68.868 -0.038 0.000 1.420 356 T HN 0.706 nan 8.240 nan 0.000 0.601 357 H N -1.210 117.484 119.070 -0.626 0.000 2.491 357 H HA -0.046 4.684 4.556 0.289 0.000 0.290 357 H C 1.481 176.388 175.328 -0.701 0.000 1.050 357 H CA 0.951 56.275 56.048 -1.206 0.000 1.309 357 H CB -0.686 28.359 29.762 -1.195 0.000 1.392 357 H HN 0.709 nan 8.280 nan 0.000 0.554 358 W N 2.386 123.212 121.300 -0.790 0.000 2.538 358 W HA 0.114 4.941 4.660 0.279 0.000 0.254 358 W C 1.445 177.850 176.519 -0.190 0.000 1.249 358 W CA 1.024 58.117 57.345 -0.419 0.000 1.253 358 W CB 0.043 29.299 29.460 -0.340 0.000 1.130 358 W HN 0.635 nan 8.180 nan 0.000 0.618 359 G N -0.408 108.389 108.800 -0.005 0.000 2.681 359 G HA2 0.135 4.271 3.960 0.293 0.000 0.220 359 G HA3 0.135 4.271 3.960 0.293 0.000 0.220 359 G C 0.663 175.563 174.900 0.000 0.000 1.353 359 G CA 0.079 45.193 45.100 0.024 0.000 0.872 359 G HN 1.055 nan 8.290 nan 0.000 0.557 360 G N -2.226 106.491 108.800 -0.139 0.000 2.253 360 G HA2 -0.031 4.104 3.960 0.293 0.000 0.209 360 G HA3 -0.031 4.104 3.960 0.293 0.000 0.209 360 G C 0.935 175.362 174.900 -0.788 0.000 0.997 360 G CA 1.030 45.926 45.100 -0.340 0.000 0.640 360 G HN 1.843 nan 8.290 nan 0.000 0.496 361 E N 1.468 121.170 120.200 -0.830 0.000 2.160 361 E HA 0.011 4.537 4.350 0.293 0.000 0.195 361 E C 1.625 178.239 176.600 0.025 0.000 0.991 361 E CA 1.418 57.462 56.400 -0.594 0.000 0.810 361 E CB -0.213 29.459 29.700 -0.046 0.000 0.742 361 E HN 0.429 nan 8.360 nan 0.000 0.466 362 D N 0.523 121.010 120.400 0.146 0.000 2.078 362 D HA -0.107 4.708 4.640 0.293 0.000 0.193 362 D C 1.632 178.140 176.300 0.346 0.000 0.990 362 D CA 1.216 55.465 54.000 0.416 0.000 0.827 362 D CB -0.492 40.549 40.800 0.401 0.000 0.975 362 D HN 0.115 nan 8.370 nan 0.000 0.451 363 N N 0.759 119.580 118.700 0.202 0.000 2.043 363 N HA -0.161 4.754 4.740 0.293 0.000 0.193 363 N C 1.578 177.193 175.510 0.174 0.000 1.037 363 N CA 1.041 54.235 53.050 0.241 0.000 0.851 363 N CB -0.188 38.404 38.487 0.174 0.000 1.027 363 N HN 0.143 nan 8.380 nan 0.000 0.422 364 E N -0.031 120.215 120.200 0.077 0.000 2.097 364 E HA -0.219 4.306 4.350 0.293 0.000 0.196 364 E C 1.788 178.481 176.600 0.155 0.000 1.000 364 E CA 1.017 57.512 56.400 0.159 0.000 0.804 364 E CB -0.264 29.588 29.700 0.253 0.000 0.740 364 E HN 0.389 nan 8.360 nan 0.000 0.454 365 F N 0.511 120.436 119.950 -0.042 0.000 2.163 365 F HA 0.011 4.710 4.527 0.287 0.000 0.297 365 F C 2.196 177.764 175.800 -0.386 0.000 1.094 365 F CA 1.869 59.715 58.000 -0.258 0.000 1.290 365 F CB -0.638 38.079 39.000 -0.472 0.000 1.017 365 F HN 0.038 nan 8.300 nan 0.000 0.483 366 G N -0.938 107.683 108.800 -0.298 0.000 2.422 366 G HA2 -0.364 3.772 3.960 0.293 0.000 0.218 366 G HA3 -0.364 3.772 3.960 0.293 0.000 0.218 366 G C 1.580 176.334 174.900 -0.244 0.000 1.146 366 G CA 1.000 45.882 45.100 -0.363 0.000 0.769 366 G HN 0.538 nan 8.290 nan 0.000 0.547 367 Y N 1.485 121.539 120.300 -0.410 0.000 2.181 367 Y HA -0.067 4.656 4.550 0.288 0.000 0.288 367 Y C 2.900 178.598 175.900 -0.337 0.000 1.146 367 Y CA 1.800 59.508 58.100 -0.653 0.000 1.164 367 Y CB -0.264 37.813 38.460 -0.638 0.000 0.982 367 Y HN 0.094 nan 8.280 nan 0.000 0.515 368 R N -0.632 119.467 120.500 -0.667 0.000 2.081 368 R HA -0.143 4.373 4.340 0.293 0.000 0.235 368 R C 2.095 178.039 176.300 -0.593 0.000 1.131 368 R CA 1.348 57.053 56.100 -0.658 0.000 0.960 368 R CB -0.544 29.517 30.300 -0.398 0.000 0.856 368 R HN 0.307 nan 8.270 nan 0.000 0.436 369 L N -0.090 120.719 121.223 -0.690 0.000 2.012 369 L HA -0.226 4.290 4.340 0.293 0.000 0.210 369 L C 2.119 178.726 176.870 -0.437 0.000 1.073 369 L CA 1.711 56.127 54.840 -0.706 0.000 0.748 369 L CB -0.908 40.566 42.059 -0.975 0.000 0.891 369 L HN 0.169 nan 8.230 nan 0.000 0.431 370 Y N 0.292 120.408 120.300 -0.307 0.000 2.128 370 Y HA -0.335 4.395 4.550 0.300 0.000 0.284 370 Y C 2.900 178.641 175.900 -0.264 0.000 1.154 370 Y CA 2.071 60.087 58.100 -0.140 0.000 1.149 370 Y CB -0.096 38.317 38.460 -0.079 0.000 0.976 370 Y HN 0.153 nan 8.280 nan 0.000 0.505 371 R N 0.338 120.591 120.500 -0.412 0.000 2.152 371 R HA -0.146 4.370 4.340 0.293 0.000 0.232 371 R C 1.201 177.342 176.300 -0.264 0.000 1.117 371 R CA 1.643 57.513 56.100 -0.383 0.000 0.981 371 R CB -0.087 29.928 30.300 -0.475 0.000 0.870 371 R HN 0.292 nan 8.270 nan 0.000 0.451 372 E N -0.733 119.346 120.200 -0.202 0.000 2.489 372 E HA 0.093 4.619 4.350 0.293 0.000 0.193 372 E C 0.853 177.485 176.600 0.053 0.000 1.057 372 E CA 0.739 57.128 56.400 -0.018 0.000 0.866 372 E CB 0.894 30.671 29.700 0.127 0.000 0.916 372 E HN 0.597 nan 8.360 nan 0.000 0.500 373 G N 0.749 109.476 108.800 -0.121 0.000 2.163 373 G HA2 -0.258 3.878 3.960 0.293 0.000 0.213 373 G HA3 -0.258 3.878 3.960 0.293 0.000 0.213 373 G C 0.394 175.222 174.900 -0.120 0.000 0.991 373 G CA -0.020 45.023 45.100 -0.095 0.000 0.653 373 G HN 0.348 nan 8.290 nan 0.000 0.518 374 C N 0.951 119.948 119.300 -0.505 0.000 2.601 374 C HA 0.722 5.358 4.460 0.293 0.000 0.409 374 C C 0.900 175.561 174.990 -0.548 0.000 1.293 374 C CA -0.530 57.924 59.018 -0.940 0.000 2.101 374 C CB -0.567 25.938 27.740 -2.060 0.000 2.639 374 C HN 0.335 nan 8.230 nan 0.000 0.592 375 Y N 2.250 122.301 120.300 -0.415 0.000 2.519 375 Y HA 0.654 5.379 4.550 0.292 0.000 0.324 375 Y C 0.016 175.669 175.900 -0.413 0.000 1.214 375 Y CA -0.400 57.657 58.100 -0.072 0.000 1.260 375 Y CB 0.978 39.524 38.460 0.143 0.000 1.311 375 Y HN 0.567 nan 8.280 nan 0.000 0.505 376 F N 0.494 120.599 119.950 0.259 0.000 2.565 376 F HA 0.640 5.342 4.527 0.291 0.000 0.313 376 F C -0.406 175.458 175.800 0.107 0.000 1.091 376 F CA -0.992 57.094 58.000 0.143 0.000 0.915 376 F CB 2.116 41.212 39.000 0.159 0.000 1.208 376 F HN 0.201 nan 8.300 nan 0.000 0.453 377 R N 1.435 121.973 120.500 0.063 0.000 2.522 377 R HA 0.489 5.005 4.340 0.293 0.000 0.283 377 R C -1.421 174.758 176.300 -0.202 0.000 1.074 377 R CA -0.578 55.427 56.100 -0.158 0.000 0.925 377 R CB 1.723 31.652 30.300 -0.618 0.000 1.205 377 R HN 0.777 nan 8.270 nan 0.000 0.436 378 S N 2.259 117.753 115.700 -0.345 0.000 2.523 378 S HA 0.407 5.053 4.470 0.293 0.000 0.275 378 S C -0.137 174.258 174.600 -0.342 0.000 1.281 378 S CA -0.684 57.157 58.200 -0.598 0.000 1.050 378 S CB 1.688 63.985 63.200 -1.506 0.000 0.937 378 S HN 0.299 nan 8.310 nan 0.000 0.492 379 V N 3.634 123.401 119.914 -0.245 0.000 2.378 379 V HA 0.296 4.592 4.120 0.293 0.000 0.288 379 V C 1.235 177.226 176.094 -0.171 0.000 1.016 379 V CA -0.589 61.600 62.300 -0.185 0.000 0.840 379 V CB 1.263 32.982 31.823 -0.173 0.000 0.994 379 V HN 0.979 nan 8.190 nan 0.000 0.431 380 E N 4.183 124.307 120.200 -0.126 0.000 2.077 380 E HA -0.140 4.386 4.350 0.293 0.000 0.193 380 E C 2.097 178.633 176.600 -0.107 0.000 0.989 380 E CA 1.598 57.947 56.400 -0.086 0.000 0.800 380 E CB 0.072 29.742 29.700 -0.051 0.000 0.746 380 E HN 0.901 nan 8.360 nan 0.000 0.452 381 G N -0.080 108.637 108.800 -0.138 0.000 2.776 381 G HA2 -0.021 4.114 3.960 0.293 0.000 0.209 381 G HA3 -0.021 4.114 3.960 0.293 0.000 0.209 381 G C 1.187 175.957 174.900 -0.217 0.000 1.145 381 G CA 0.582 45.596 45.100 -0.144 0.000 0.791 381 G HN 0.278 nan 8.290 nan 0.000 0.530 382 A N -0.067 122.561 122.820 -0.321 0.000 2.379 382 A HA 0.562 5.058 4.320 0.293 0.000 0.236 382 A C 0.968 178.548 177.584 -0.006 0.000 1.272 382 A CA -0.359 51.392 52.037 -0.477 0.000 0.886 382 A CB -0.252 18.085 19.000 -1.105 0.000 0.962 382 A HN 0.327 nan 8.150 nan 0.000 0.504 383 M N 0.850 120.420 119.600 -0.051 0.000 2.234 383 M HA 0.308 4.964 4.480 0.293 0.000 0.326 383 M C -0.085 176.131 176.300 -0.139 0.000 1.077 383 M CA 0.416 55.643 55.300 -0.122 0.000 1.052 383 M CB -0.048 32.433 32.600 -0.198 0.000 1.607 383 M HN 0.532 nan 8.290 nan 0.000 0.445 384 A N 4.455 127.089 122.820 -0.311 0.000 2.549 384 A HA 0.677 5.173 4.320 0.293 0.000 0.297 384 A C -2.046 175.267 177.584 -0.451 0.000 1.061 384 A CA -0.657 51.192 52.037 -0.315 0.000 0.690 384 A CB 0.936 19.811 19.000 -0.208 0.000 1.287 384 A HN 0.760 nan 8.150 nan 0.000 0.402 385 Y N 1.913 122.143 120.300 -0.116 0.000 2.342 385 Y HA 0.341 5.070 4.550 0.299 0.000 0.338 385 Y C 0.729 176.601 175.900 -0.046 0.000 0.965 385 Y CA -0.248 57.809 58.100 -0.072 0.000 1.159 385 Y CB 1.022 39.449 38.460 -0.056 0.000 1.157 385 Y HN 0.748 nan 8.280 nan 0.000 0.486 386 H N 4.679 123.754 119.070 0.009 0.000 2.848 386 H HA 0.152 4.877 4.556 0.281 0.000 0.317 386 H C -0.853 174.566 175.328 0.152 0.000 1.046 386 H CA 0.025 56.113 56.048 0.068 0.000 1.470 386 H CB 0.660 30.480 29.762 0.098 0.000 1.483 386 H HN 0.776 nan 8.280 nan 0.000 0.548 387 Q N 4.056 123.828 119.800 -0.046 0.000 2.303 387 Q HA 0.120 4.636 4.340 0.293 0.000 0.257 387 Q C -0.043 176.034 176.000 0.128 0.000 0.941 387 Q CA -0.893 54.949 55.803 0.065 0.000 0.931 387 Q CB 1.549 30.266 28.738 -0.035 0.000 1.215 387 Q HN 0.576 nan 8.270 nan 0.000 0.437 388 E N 4.355 124.697 120.200 0.237 0.000 2.502 388 E HA -0.010 4.515 4.350 0.293 0.000 0.261 388 E C -2.019 174.657 176.600 0.127 0.000 0.974 388 E CA -0.931 55.597 56.400 0.214 0.000 0.936 388 E CB 0.000 29.793 29.700 0.155 0.000 0.926 388 E HN 0.412 nan 8.360 nan 0.000 0.459 389 P HA 0.103 nan 4.420 nan 0.000 0.272 389 P C -2.032 175.301 177.300 0.055 0.000 1.240 389 P CA -1.201 61.944 63.100 0.075 0.000 0.791 389 P CB 0.015 31.768 31.700 0.087 0.000 0.978 390 P HA -0.185 nan 4.420 nan 0.000 0.219 390 P C 1.147 178.463 177.300 0.026 0.000 1.144 390 P CA 2.490 65.605 63.100 0.025 0.000 0.806 390 P CB -0.379 31.326 31.700 0.009 0.000 0.771 391 G N -0.272 108.546 108.800 0.030 0.000 2.417 391 G HA2 -0.379 3.756 3.960 0.293 0.000 0.233 391 G HA3 -0.379 3.756 3.960 0.293 0.000 0.233 391 G C 0.940 175.851 174.900 0.018 0.000 1.103 391 G CA 0.582 45.698 45.100 0.026 0.000 0.647 391 G HN 0.526 nan 8.290 nan 0.000 0.512 392 K N 1.560 121.968 120.400 0.013 0.000 2.589 392 K HA 0.230 4.726 4.320 0.293 0.000 0.192 392 K C 0.613 177.217 176.600 0.007 0.000 1.029 392 K CA 0.808 57.100 56.287 0.008 0.000 1.031 392 K CB 0.052 32.554 32.500 0.003 0.000 0.821 392 K HN 0.604 nan 8.250 nan 0.000 0.502 404 I N 1.236 121.759 120.570 -0.079 0.000 2.371 404 I HA 0.475 4.821 4.170 0.293 0.000 0.290 404 I C 0.485 176.544 176.117 -0.097 0.000 1.028 404 I CA -0.083 61.166 61.300 -0.086 0.000 1.345 404 I CB 1.399 39.346 38.000 -0.088 0.000 1.407 404 I HN 0.404 nan 8.210 nan 0.000 0.501 405 T N 1.464 115.958 114.554 -0.099 0.000 3.129 405 T HA 0.219 4.745 4.350 0.293 0.000 0.267 405 T C 1.081 175.664 174.700 -0.195 0.000 1.018 405 T CA -0.152 61.874 62.100 -0.124 0.000 0.903 405 T CB 0.307 69.105 68.868 -0.116 0.000 1.067 405 T HN 0.491 nan 8.240 nan 0.000 0.549 406 V N 1.785 121.611 119.914 -0.147 0.000 2.346 406 V HA -0.117 4.178 4.120 0.293 0.000 0.244 406 V C 2.815 178.824 176.094 -0.141 0.000 1.037 406 V CA 1.747 63.959 62.300 -0.147 0.000 1.029 406 V CB -0.540 31.266 31.823 -0.028 0.000 0.663 406 V HN 0.523 nan 8.190 nan 0.000 0.454 407 Q N -0.048 119.683 119.800 -0.115 0.000 2.135 407 Q HA -0.214 4.302 4.340 0.293 0.000 0.204 407 Q C 2.265 178.208 176.000 -0.094 0.000 0.981 407 Q CA 1.676 57.416 55.803 -0.105 0.000 0.856 407 Q CB -0.402 28.262 28.738 -0.124 0.000 0.902 407 Q HN 0.518 nan 8.270 nan 0.000 0.425 408 L N -0.052 121.114 121.223 -0.094 0.000 2.042 408 L HA -0.209 4.306 4.340 0.293 0.000 0.210 408 L C 1.742 178.641 176.870 0.048 0.000 1.076 408 L CA 0.697 55.531 54.840 -0.010 0.000 0.749 408 L CB -0.248 41.823 42.059 0.019 0.000 0.893 408 L HN 0.242 nan 8.230 nan 0.000 0.432 409 L N -0.961 120.218 121.223 -0.073 0.000 2.591 409 L HA -0.010 4.506 4.340 0.293 0.000 0.228 409 L C 2.157 179.000 176.870 -0.045 0.000 1.133 409 L CA 0.845 55.650 54.840 -0.059 0.000 0.880 409 L CB -0.887 40.996 42.059 -0.293 0.000 1.033 409 L HN 0.175 nan 8.230 nan 0.000 0.450 410 Q N -0.068 119.703 119.800 -0.050 0.000 2.096 410 Q HA -0.234 4.282 4.340 0.293 0.000 0.208 410 Q C 2.194 178.179 176.000 -0.025 0.000 0.993 410 Q CA 1.877 57.660 55.803 -0.033 0.000 0.862 410 Q CB -0.005 28.709 28.738 -0.041 0.000 0.915 410 Q HN 0.378 nan 8.270 nan 0.000 0.416 411 Q N -0.177 119.609 119.800 -0.023 0.000 2.084 411 Q HA -0.104 4.412 4.340 0.293 0.000 0.202 411 Q C 1.423 177.415 176.000 -0.013 0.000 0.978 411 Q CA 1.558 57.347 55.803 -0.023 0.000 0.844 411 Q CB 0.036 28.750 28.738 -0.040 0.000 0.898 411 Q HN 0.421 nan 8.270 nan 0.000 0.426 412 K N -0.485 119.917 120.400 0.003 0.000 2.355 412 K HA 0.202 4.698 4.320 0.293 0.000 0.198 412 K C -0.194 176.342 176.600 -0.107 0.000 1.039 412 K CA 0.003 56.300 56.287 0.015 0.000 1.075 412 K CB 1.568 34.133 32.500 0.109 0.000 0.870 412 K HN -0.153 nan 8.250 nan 0.000 0.540 413 V N 3.822 123.626 119.914 -0.183 0.000 2.289 413 V HA 0.126 4.422 4.120 0.293 0.000 0.272 413 V C -1.863 174.050 176.094 -0.301 0.000 1.026 413 V CA -1.271 60.745 62.300 -0.473 0.000 0.807 413 V CB 1.361 33.046 31.823 -0.229 0.000 1.044 413 V HN 0.012 nan 8.190 nan 0.000 0.443 414 P HA -0.131 nan 4.420 nan 0.000 0.219 414 P C 1.517 178.770 177.300 -0.080 0.000 1.154 414 P CA 0.761 63.786 63.100 -0.125 0.000 0.826 414 P CB 0.428 32.110 31.700 -0.029 0.000 0.795 415 Y N 0.685 120.737 120.300 -0.413 0.000 2.062 415 Y HA -0.261 4.463 4.550 0.290 0.000 0.276 415 Y C 2.023 177.893 175.900 -0.050 0.000 1.189 415 Y CA 2.010 59.830 58.100 -0.467 0.000 1.130 415 Y CB -1.159 36.834 38.460 -0.778 0.000 0.959 415 Y HN -0.059 nan 8.280 nan 0.000 0.499 416 F N -2.587 117.070 119.950 -0.489 0.000 2.581 416 F HA 0.114 4.814 4.527 0.288 0.000 0.278 416 F C 1.542 177.088 175.800 -0.422 0.000 1.000 416 F CA -0.031 57.577 58.000 -0.652 0.000 1.230 416 F CB -0.764 37.724 39.000 -0.852 0.000 1.008 416 F HN -0.093 nan 8.300 nan 0.000 0.695 417 Y N 0.993 121.198 120.300 -0.159 0.000 2.263 417 Y HA 0.031 4.755 4.550 0.290 0.000 0.292 417 Y C 1.170 176.953 175.900 -0.195 0.000 1.130 417 Y CA 0.988 58.958 58.100 -0.216 0.000 1.179 417 Y CB -0.841 37.576 38.460 -0.071 0.000 0.998 417 Y HN -0.193 nan 8.280 nan 0.000 0.532 418 R N 2.536 123.041 120.500 0.008 0.000 2.485 418 R HA -0.017 4.499 4.340 0.293 0.000 0.304 418 R C -0.607 175.667 176.300 -0.044 0.000 0.934 418 R CA 0.107 56.200 56.100 -0.012 0.000 1.102 418 R CB -0.087 30.216 30.300 0.006 0.000 0.906 418 R HN -0.127 nan 8.270 nan 0.000 0.407 419 K N 3.421 123.798 120.400 -0.038 0.000 2.164 419 K HA 0.295 4.791 4.320 0.293 0.000 0.258 419 K C -0.849 175.735 176.600 -0.026 0.000 0.951 419 K CA -0.684 55.574 56.287 -0.048 0.000 0.844 419 K CB 1.108 33.574 32.500 -0.056 0.000 1.099 419 K HN 0.550 nan 8.250 nan 0.000 0.435 420 K N 2.265 122.652 120.400 -0.022 0.000 2.355 420 K HA 0.069 4.565 4.320 0.293 0.000 0.270 420 K C -0.734 175.859 176.600 -0.013 0.000 1.003 420 K CA 0.121 56.403 56.287 -0.008 0.000 0.957 420 K CB 0.425 32.924 32.500 -0.001 0.000 0.939 420 K HN 0.805 nan 8.250 nan 0.000 0.482 421 E N 2.551 122.745 120.200 -0.009 0.000 2.367 421 E HA 0.306 4.832 4.350 0.293 0.000 0.273 421 E C -1.367 175.224 176.600 -0.015 0.000 0.903 421 E CA -1.204 55.186 56.400 -0.016 0.000 0.764 421 E CB 1.589 31.275 29.700 -0.024 0.000 1.252 421 E HN 0.313 nan 8.360 nan 0.000 0.446 422 K N 1.300 121.690 120.400 -0.016 0.000 2.270 422 K HA 0.120 4.616 4.320 0.293 0.000 0.276 422 K C 1.011 177.584 176.600 -0.045 0.000 1.023 422 K CA -0.375 55.904 56.287 -0.015 0.000 0.955 422 K CB 0.685 33.181 32.500 -0.005 0.000 0.975 422 K HN 0.483 nan 8.250 nan 0.000 0.471 423 I N 0.996 121.522 120.570 -0.074 0.000 2.315 423 I HA -0.327 4.018 4.170 0.293 0.000 0.251 423 I C 1.841 177.900 176.117 -0.097 0.000 1.125 423 I CA 1.478 62.687 61.300 -0.151 0.000 1.392 423 I CB -0.964 36.859 38.000 -0.295 0.000 1.065 423 I HN 0.653 nan 8.210 nan 0.000 0.424 424 E N 1.687 121.855 120.200 -0.053 0.000 2.267 424 E HA -0.168 4.358 4.350 0.293 0.000 0.197 424 E C 1.395 177.971 176.600 -0.040 0.000 0.998 424 E CA 1.715 58.092 56.400 -0.038 0.000 0.830 424 E CB -0.611 29.077 29.700 -0.019 0.000 0.751 424 E HN 0.765 nan 8.360 nan 0.000 0.491 425 S N -0.763 114.912 115.700 -0.043 0.000 2.893 425 S HA 0.526 5.172 4.470 0.293 0.000 0.258 425 S C 0.496 175.070 174.600 -0.044 0.000 1.034 425 S CA -0.190 57.986 58.200 -0.039 0.000 1.167 425 S CB 0.670 63.851 63.200 -0.032 0.000 1.137 425 S HN 0.384 nan 8.310 nan 0.000 0.650 426 A N 1.527 124.314 122.820 -0.056 0.000 2.407 426 A HA 0.683 5.179 4.320 0.293 0.000 0.248 426 A C 0.217 177.770 177.584 -0.052 0.000 1.082 426 A CA 0.023 52.026 52.037 -0.056 0.000 0.785 426 A CB 0.566 19.520 19.000 -0.076 0.000 1.020 426 A HN 0.282 nan 8.150 nan 0.000 0.489 427 T N 1.555 116.086 114.554 -0.039 0.000 2.916 427 T HA 0.495 5.021 4.350 0.293 0.000 0.305 427 T C -0.463 174.225 174.700 -0.020 0.000 1.119 427 T CA -0.586 61.495 62.100 -0.032 0.000 1.008 427 T CB 0.424 69.274 68.868 -0.030 0.000 1.129 427 T HN 0.545 nan 8.240 nan 0.000 0.480 428 L N 3.988 125.203 121.223 -0.013 0.000 2.525 428 L HA 0.289 4.804 4.340 0.293 0.000 0.278 428 L C 0.705 177.575 176.870 -0.000 0.000 1.218 428 L CA -0.203 54.638 54.840 0.001 0.000 0.878 428 L CB 0.237 42.301 42.059 0.009 0.000 1.127 428 L HN 0.403 nan 8.230 nan 0.000 0.492 429 K N 2.323 122.727 120.400 0.008 0.000 2.098 429 K HA 0.213 4.709 4.320 0.293 0.000 0.258 429 K C 0.655 177.262 176.600 0.011 0.000 0.973 429 K CA -0.799 55.491 56.287 0.005 0.000 0.898 429 K CB 1.427 33.932 32.500 0.009 0.000 1.057 429 K HN 0.318 nan 8.250 nan 0.000 0.447 430 R N 0.561 121.064 120.500 0.004 0.000 2.083 430 R HA -0.056 4.460 4.340 0.293 0.000 0.237 430 R C 0.219 176.535 176.300 0.028 0.000 1.137 430 R CA 1.309 57.415 56.100 0.009 0.000 0.951 430 R CB -0.081 30.217 30.300 -0.004 0.000 0.851 430 R HN 0.354 nan 8.270 nan 0.000 0.434 431 V N 3.256 123.190 119.914 0.032 0.000 2.409 431 V HA 0.382 4.678 4.120 0.293 0.000 0.291 431 V C -2.306 173.818 176.094 0.050 0.000 1.020 431 V CA -2.072 60.260 62.300 0.054 0.000 0.848 431 V CB 1.732 33.599 31.823 0.072 0.000 0.990 431 V HN 0.236 nan 8.190 nan 0.000 0.430 432 P HA 0.191 nan 4.420 nan 0.000 0.274 432 P C 0.868 178.225 177.300 0.095 0.000 1.231 432 P CA -0.276 62.864 63.100 0.067 0.000 0.790 432 P CB 1.880 33.617 31.700 0.063 0.000 0.951 433 L N 2.087 123.375 121.223 0.108 0.000 2.005 433 L HA -0.006 4.510 4.340 0.293 0.000 0.207 433 L C 0.526 177.528 176.870 0.219 0.000 1.072 433 L CA 1.709 56.652 54.840 0.172 0.000 0.744 433 L CB 0.046 42.207 42.059 0.170 0.000 0.895 433 L HN 0.130 nan 8.230 nan 0.000 0.433 434 V N -0.551 119.463 119.914 0.166 0.000 2.581 434 V HA 0.351 4.647 4.120 0.293 0.000 0.303 434 V C -0.324 175.821 176.094 0.084 0.000 1.041 434 V CA -0.550 61.839 62.300 0.147 0.000 0.907 434 V CB 1.740 33.649 31.823 0.143 0.000 0.994 434 V HN 0.127 nan 8.190 nan 0.000 0.442 435 S N 4.495 120.224 115.700 0.049 0.000 2.502 435 S HA 0.676 5.322 4.470 0.293 0.000 0.304 435 S C -0.841 173.778 174.600 0.031 0.000 1.097 435 S CA -0.450 57.766 58.200 0.027 0.000 1.045 435 S CB 1.307 64.506 63.200 -0.002 0.000 1.019 435 S HN 0.456 nan 8.310 nan 0.000 0.481 436 I N 4.287 124.883 120.570 0.044 0.000 2.382 436 I HA 0.286 4.632 4.170 0.293 0.000 0.286 436 I C -0.493 175.663 176.117 0.065 0.000 1.002 436 I CA -0.819 60.511 61.300 0.049 0.000 1.135 436 I CB 0.845 38.865 38.000 0.034 0.000 1.288 436 I HN 0.739 nan 8.210 nan 0.000 0.448 437 Y N 6.921 127.225 120.300 0.008 0.000 2.334 437 Y HA 0.817 5.543 4.550 0.293 0.000 0.328 437 Y C -0.722 175.207 175.900 0.048 0.000 1.130 437 Y CA -0.998 57.107 58.100 0.009 0.000 1.163 437 Y CB 1.199 39.651 38.460 -0.014 0.000 1.207 437 Y HN 0.373 nan 8.280 nan 0.000 0.471 438 I N 6.158 126.778 120.570 0.084 0.000 2.497 438 I HA 0.297 4.643 4.170 0.293 0.000 0.284 438 I C -2.681 173.511 176.117 0.125 0.000 1.060 438 I CA -2.256 59.052 61.300 0.013 0.000 1.071 438 I CB 2.571 40.573 38.000 0.003 0.000 1.216 438 I HN 0.501 nan 8.210 nan 0.000 0.442 439 P HA 0.286 nan 4.420 nan 0.000 0.283 439 P C -0.724 176.654 177.300 0.131 0.000 1.412 439 P CA -0.178 63.006 63.100 0.139 0.000 0.912 439 P CB 1.205 32.985 31.700 0.133 0.000 1.132 440 A N 4.551 127.447 122.820 0.128 0.000 2.260 440 A HA 0.492 4.988 4.320 0.293 0.000 0.314 440 A C -1.364 176.332 177.584 0.186 0.000 1.257 440 A CA -0.652 51.464 52.037 0.132 0.000 0.871 440 A CB 0.449 19.498 19.000 0.082 0.000 1.166 440 A HN 0.586 nan 8.150 nan 0.000 0.522 441 Y N 3.578 123.907 120.300 0.049 0.000 2.333 441 Y HA 0.315 5.041 4.550 0.293 0.000 0.324 441 Y C -0.220 175.698 175.900 0.030 0.000 1.033 441 Y CA -0.619 57.502 58.100 0.035 0.000 1.224 441 Y CB 0.915 39.397 38.460 0.036 0.000 1.120 441 Y HN 0.816 nan 8.280 nan 0.000 0.457 442 N N 3.731 122.147 118.700 -0.474 0.000 2.641 442 N HA -0.187 4.728 4.740 0.293 0.000 0.267 442 N C -0.413 174.992 175.510 -0.175 0.000 1.087 442 N CA 1.344 54.147 53.050 -0.411 0.000 0.731 442 N CB -1.590 36.517 38.487 -0.633 0.000 0.886 442 N HN 0.724 nan 8.380 nan 0.000 0.547 443 C N -2.916 116.330 119.300 -0.090 0.000 2.969 443 C HA 0.427 5.063 4.460 0.293 0.000 0.260 443 C C 2.190 177.146 174.990 -0.058 0.000 1.618 443 C CA -0.055 58.969 59.018 0.010 0.000 1.774 443 C CB -0.192 27.622 27.740 0.124 0.000 3.063 443 C HN 0.573 nan 8.230 nan 0.000 0.506 444 S N 2.978 118.597 115.700 -0.135 0.000 2.390 444 S HA -0.311 4.335 4.470 0.293 0.000 0.234 444 S C 2.020 176.521 174.600 -0.166 0.000 1.063 444 S CA 2.538 60.650 58.200 -0.147 0.000 1.108 444 S CB -0.304 62.804 63.200 -0.154 0.000 0.975 444 S HN 0.893 nan 8.310 nan 0.000 0.442 445 K N -0.870 119.363 120.400 -0.279 0.000 2.551 445 K HA 0.007 4.503 4.320 0.293 0.000 0.192 445 K C 0.924 177.414 176.600 -0.183 0.000 1.027 445 K CA 0.788 56.901 56.287 -0.289 0.000 1.059 445 K CB -0.240 32.017 32.500 -0.405 0.000 0.831 445 K HN 0.664 nan 8.250 nan 0.000 0.508 446 Y N -0.964 119.324 120.300 -0.021 0.000 2.652 446 Y HA 0.067 4.793 4.550 0.293 0.000 0.275 446 Y C 1.932 177.827 175.900 -0.009 0.000 1.133 446 Y CA -0.782 57.320 58.100 0.002 0.000 1.246 446 Y CB 0.239 38.720 38.460 0.034 0.000 1.334 446 Y HN -0.075 nan 8.280 nan 0.000 0.493 447 I N 0.634 121.285 120.570 0.134 0.000 2.145 447 I HA -0.303 4.043 4.170 0.293 0.000 0.244 447 I C 2.008 178.161 176.117 0.060 0.000 1.075 447 I CA 1.506 62.848 61.300 0.069 0.000 1.332 447 I CB -0.503 37.505 38.000 0.013 0.000 1.033 447 I HN -0.008 nan 8.210 nan 0.000 0.410 448 V N 1.513 121.433 119.914 0.011 0.000 2.295 448 V HA -0.274 4.022 4.120 0.293 0.000 0.246 448 V C 2.695 178.828 176.094 0.064 0.000 1.049 448 V CA 2.255 64.575 62.300 0.033 0.000 1.024 448 V CB -1.038 30.726 31.823 -0.099 0.000 0.648 448 V HN 0.496 nan 8.190 nan 0.000 0.447 449 R N -0.277 120.241 120.500 0.030 0.000 2.193 449 R HA -0.179 4.336 4.340 0.293 0.000 0.229 449 R C 2.296 178.588 176.300 -0.013 0.000 1.110 449 R CA 1.865 57.951 56.100 -0.024 0.000 0.988 449 R CB -0.879 29.384 30.300 -0.061 0.000 0.871 449 R HN 0.609 nan 8.270 nan 0.000 0.458 450 C N -0.162 119.160 119.300 0.035 0.000 2.508 450 C HA 0.001 4.636 4.460 0.293 0.000 0.280 450 C C 2.693 177.678 174.990 -0.008 0.000 1.262 450 C CA 0.756 59.788 59.018 0.023 0.000 1.706 450 C CB -0.837 26.922 27.740 0.032 0.000 2.078 450 C HN 0.355 nan 8.230 nan 0.000 0.480 451 V N 1.799 121.706 119.914 -0.010 0.000 2.287 451 V HA -0.165 4.131 4.120 0.293 0.000 0.248 451 V C 2.677 178.744 176.094 -0.045 0.000 1.053 451 V CA 2.299 64.548 62.300 -0.085 0.000 1.027 451 V CB -0.819 30.869 31.823 -0.225 0.000 0.646 451 V HN 0.555 nan 8.190 nan 0.000 0.447 452 E N 0.114 120.336 120.200 0.037 0.000 2.160 452 E HA -0.205 4.321 4.350 0.293 0.000 0.195 452 E C 2.461 179.065 176.600 0.007 0.000 0.991 452 E CA 1.575 58.006 56.400 0.052 0.000 0.810 452 E CB -0.617 29.126 29.700 0.072 0.000 0.742 452 E HN 0.613 nan 8.360 nan 0.000 0.466 453 S N 0.428 116.118 115.700 -0.018 0.000 2.399 453 S HA -0.120 4.526 4.470 0.293 0.000 0.231 453 S C 1.987 176.571 174.600 -0.026 0.000 1.022 453 S CA 1.301 59.486 58.200 -0.026 0.000 0.983 453 S CB 0.020 63.221 63.200 0.001 0.000 0.803 453 S HN 0.297 nan 8.310 nan 0.000 0.480 454 A N 1.165 123.966 122.820 -0.031 0.000 1.878 454 A HA 0.288 4.784 4.320 0.293 0.000 0.213 454 A C 2.193 179.779 177.584 0.002 0.000 1.192 454 A CA 0.903 52.924 52.037 -0.026 0.000 0.619 454 A CB -0.708 18.266 19.000 -0.043 0.000 0.837 454 A HN 0.538 nan 8.150 nan 0.000 0.446 455 L N 0.180 121.403 121.223 0.000 0.000 2.083 455 L HA -0.122 4.393 4.340 0.293 0.000 0.209 455 L C 0.397 177.326 176.870 0.098 0.000 1.083 455 L CA 0.678 55.546 54.840 0.046 0.000 0.752 455 L CB -0.491 41.602 42.059 0.057 0.000 0.899 455 L HN 0.291 nan 8.230 nan 0.000 0.433 456 N N 1.391 120.136 118.700 0.075 0.000 3.245 456 N HA 0.089 5.005 4.740 0.293 0.000 0.296 456 N C -0.386 175.154 175.510 0.050 0.000 1.254 456 N CA 0.251 53.350 53.050 0.081 0.000 1.190 456 N CB 0.393 38.897 38.487 0.028 0.000 1.460 456 N HN 0.298 nan 8.380 nan 0.000 0.538 457 Q N -0.400 119.463 119.800 0.105 0.000 2.297 457 Q HA 0.231 4.746 4.340 0.293 0.000 0.268 457 Q C 1.494 177.572 176.000 0.130 0.000 1.045 457 Q CA -0.373 55.477 55.803 0.080 0.000 0.861 457 Q CB 1.645 30.431 28.738 0.080 0.000 1.344 457 Q HN 0.401 nan 8.270 nan 0.000 0.452 458 T N -2.310 112.288 114.554 0.074 0.000 2.833 458 T HA -0.009 4.516 4.350 0.293 0.000 0.269 458 T C 1.088 175.887 174.700 0.164 0.000 1.054 458 T CA 0.781 62.943 62.100 0.103 0.000 1.135 458 T CB 0.140 69.036 68.868 0.046 0.000 0.869 458 T HN 0.360 nan 8.240 nan 0.000 0.466 459 I N 2.211 122.856 120.570 0.124 0.000 2.325 459 I HA 0.227 4.572 4.170 0.293 0.000 0.291 459 I C 1.406 177.592 176.117 0.115 0.000 1.019 459 I CA -0.019 61.346 61.300 0.108 0.000 1.302 459 I CB 1.095 39.148 38.000 0.090 0.000 1.401 459 I HN 0.246 nan 8.210 nan 0.000 0.485 460 T N 2.791 117.399 114.554 0.090 0.000 3.014 460 T HA -0.008 4.518 4.350 0.293 0.000 0.250 460 T C 0.702 175.430 174.700 0.046 0.000 1.060 460 T CA 0.138 62.273 62.100 0.059 0.000 1.040 460 T CB -0.080 68.779 68.868 -0.014 0.000 0.971 460 T HN 0.490 nan 8.240 nan 0.000 0.497 461 D N 2.209 122.640 120.400 0.051 0.000 2.551 461 D HA 0.296 5.112 4.640 0.293 0.000 0.223 461 D C -0.463 175.879 176.300 0.071 0.000 1.144 461 D CA -0.001 54.030 54.000 0.053 0.000 1.025 461 D CB -0.677 40.156 40.800 0.054 0.000 1.085 461 D HN 0.479 nan 8.370 nan 0.000 0.506 462 L N 1.623 122.885 121.223 0.065 0.000 2.540 462 L HA 0.519 5.034 4.340 0.293 0.000 0.256 462 L C -1.546 175.355 176.870 0.051 0.000 1.001 462 L CA -0.646 54.234 54.840 0.067 0.000 0.843 462 L CB 2.003 44.106 42.059 0.073 0.000 1.436 462 L HN 0.216 nan 8.230 nan 0.000 0.410 463 E N 1.798 122.021 120.200 0.039 0.000 2.416 463 E HA 0.698 5.224 4.350 0.293 0.000 0.273 463 E C -1.982 174.614 176.600 -0.008 0.000 0.935 463 E CA -0.922 55.488 56.400 0.015 0.000 0.784 463 E CB 2.641 32.356 29.700 0.024 0.000 1.301 463 E HN 0.334 nan 8.360 nan 0.000 0.454 464 V N 0.986 120.871 119.914 -0.048 0.000 2.487 464 V HA 0.359 4.655 4.120 0.293 0.000 0.298 464 V C -0.931 175.143 176.094 -0.034 0.000 1.028 464 V CA -0.712 61.550 62.300 -0.062 0.000 0.860 464 V CB 1.459 33.189 31.823 -0.156 0.000 0.991 464 V HN 0.857 nan 8.190 nan 0.000 0.427 465 C N 6.769 126.079 119.300 0.016 0.000 2.293 465 C HA 0.682 5.318 4.460 0.293 0.000 0.323 465 C C -0.028 175.015 174.990 0.089 0.000 1.240 465 C CA -0.787 58.261 59.018 0.050 0.000 1.497 465 C CB -0.336 27.435 27.740 0.052 0.000 2.171 465 C HN 0.702 nan 8.230 nan 0.000 0.465 466 I N 2.364 123.003 120.570 0.114 0.000 2.474 466 I HA 0.457 4.803 4.170 0.293 0.000 0.294 466 I C 0.002 176.219 176.117 0.168 0.000 1.005 466 I CA -0.199 61.183 61.300 0.136 0.000 1.113 466 I CB 1.306 39.381 38.000 0.124 0.000 1.289 466 I HN 0.590 nan 8.210 nan 0.000 0.436 467 C N 4.652 124.035 119.300 0.138 0.000 2.322 467 C HA 0.460 5.096 4.460 0.293 0.000 0.324 467 C C -0.281 174.782 174.990 0.122 0.000 1.284 467 C CA -0.416 58.679 59.018 0.128 0.000 1.606 467 C CB 0.435 28.231 27.740 0.093 0.000 2.251 467 C HN 0.856 nan 8.230 nan 0.000 0.502 468 D N 3.646 124.121 120.400 0.124 0.000 2.380 468 D HA 0.163 4.979 4.640 0.293 0.000 0.230 468 D C 0.014 176.388 176.300 0.123 0.000 1.154 468 D CA 0.127 54.191 54.000 0.107 0.000 0.859 468 D CB 0.693 41.537 40.800 0.073 0.000 1.045 468 D HN 0.602 nan 8.370 nan 0.000 0.495 469 D N 3.473 123.967 120.400 0.157 0.000 2.848 469 D HA 0.208 5.024 4.640 0.293 0.000 0.232 469 D C 1.075 177.499 176.300 0.207 0.000 1.107 469 D CA 0.495 54.585 54.000 0.151 0.000 1.020 469 D CB -0.892 39.978 40.800 0.116 0.000 1.148 469 D HN 0.675 nan 8.370 nan 0.000 0.453 470 G N 1.545 110.439 108.800 0.156 0.000 2.338 470 G HA2 -0.294 3.842 3.960 0.293 0.000 0.296 470 G HA3 -0.294 3.842 3.960 0.293 0.000 0.296 470 G C 0.557 175.582 174.900 0.209 0.000 1.040 470 G CA 0.434 45.624 45.100 0.150 0.000 1.004 470 G HN 0.421 nan 8.290 nan 0.000 0.509 471 S N -0.842 114.946 115.700 0.147 0.000 2.566 471 S HA 0.348 4.994 4.470 0.293 0.000 0.280 471 S C 1.923 176.503 174.600 -0.034 0.000 1.343 471 S CA 0.671 58.858 58.200 -0.021 0.000 1.036 471 S CB 0.927 64.060 63.200 -0.111 0.000 0.866 471 S HN 1.116 nan 8.310 nan 0.000 0.526 472 T N -1.315 113.163 114.554 -0.126 0.000 3.023 472 T HA 0.053 4.579 4.350 0.293 0.000 0.249 472 T C 0.537 175.184 174.700 -0.088 0.000 1.050 472 T CA 0.271 62.333 62.100 -0.063 0.000 1.088 472 T CB -0.289 68.555 68.868 -0.040 0.000 0.946 472 T HN 0.684 nan 8.240 nan 0.000 0.480 473 D N 2.864 123.178 120.400 -0.143 0.000 2.348 473 D HA 0.084 4.900 4.640 0.293 0.000 0.272 473 D C 0.032 176.273 176.300 -0.098 0.000 1.237 473 D CA -0.374 53.553 54.000 -0.120 0.000 1.042 473 D CB 0.009 40.718 40.800 -0.152 0.000 1.117 473 D HN 0.343 nan 8.370 nan 0.000 0.548 474 D N -1.899 118.445 120.400 -0.094 0.000 3.179 474 D HA 0.095 4.911 4.640 0.293 0.000 0.267 474 D C 0.432 176.672 176.300 -0.100 0.000 1.348 474 D CA -0.364 53.587 54.000 -0.082 0.000 0.897 474 D CB -0.060 40.700 40.800 -0.067 0.000 1.062 474 D HN 0.210 nan 8.370 nan 0.000 0.494 475 T N 0.404 114.892 114.554 -0.109 0.000 2.737 475 T HA -0.123 4.403 4.350 0.293 0.000 0.265 475 T C 1.658 176.276 174.700 -0.137 0.000 1.038 475 T CA 0.496 62.526 62.100 -0.117 0.000 1.144 475 T CB -0.070 68.737 68.868 -0.101 0.000 0.866 475 T HN 0.168 nan 8.240 nan 0.000 0.434 476 L N 1.543 122.695 121.223 -0.119 0.000 1.989 476 L HA -0.047 4.469 4.340 0.293 0.000 0.211 476 L C 2.535 179.307 176.870 -0.164 0.000 1.071 476 L CA 1.775 56.525 54.840 -0.150 0.000 0.749 476 L CB -0.591 41.429 42.059 -0.064 0.000 0.890 476 L HN 0.009 nan 8.230 nan 0.000 0.431 477 R N -0.214 120.229 120.500 -0.095 0.000 2.096 477 R HA -0.171 4.345 4.340 0.293 0.000 0.240 477 R C 2.196 178.449 176.300 -0.080 0.000 1.139 477 R CA 1.803 57.864 56.100 -0.065 0.000 0.952 477 R CB -0.689 29.586 30.300 -0.042 0.000 0.854 477 R HN 0.394 nan 8.270 nan 0.000 0.436 478 I N 1.243 121.745 120.570 -0.113 0.000 2.163 478 I HA -0.290 4.056 4.170 0.293 0.000 0.243 478 I C 2.481 178.487 176.117 -0.184 0.000 1.085 478 I CA 1.166 62.377 61.300 -0.147 0.000 1.347 478 I CB -1.143 36.727 38.000 -0.217 0.000 1.044 478 I HN 0.179 nan 8.210 nan 0.000 0.408 479 L N -0.040 121.035 121.223 -0.246 0.000 2.079 479 L HA -0.253 4.263 4.340 0.293 0.000 0.210 479 L C 2.708 179.403 176.870 -0.293 0.000 1.081 479 L CA 1.349 55.987 54.840 -0.337 0.000 0.752 479 L CB -0.539 41.064 42.059 -0.760 0.000 0.896 479 L HN 0.353 nan 8.230 nan 0.000 0.433 480 Q N 0.145 119.822 119.800 -0.206 0.000 2.016 480 Q HA -0.227 4.289 4.340 0.293 0.000 0.200 480 Q C 1.975 178.029 176.000 0.089 0.000 0.978 480 Q CA 1.736 57.580 55.803 0.069 0.000 0.833 480 Q CB -0.225 28.560 28.738 0.077 0.000 0.895 480 Q HN 0.627 nan 8.270 nan 0.000 0.427 481 E N -0.362 119.864 120.200 0.044 0.000 2.463 481 E HA -0.201 4.325 4.350 0.293 0.000 0.201 481 E C 0.820 177.387 176.600 -0.055 0.000 1.045 481 E CA 1.153 57.568 56.400 0.024 0.000 0.872 481 E CB 0.029 29.752 29.700 0.039 0.000 0.797 481 E HN 0.457 nan 8.360 nan 0.000 0.538 482 H N -1.778 117.152 119.070 -0.233 0.000 2.501 482 H HA 0.179 4.910 4.556 0.293 0.000 0.281 482 H C 0.260 175.271 175.328 -0.528 0.000 0.988 482 H CA 0.909 56.650 56.048 -0.512 0.000 1.232 482 H CB 0.504 29.702 29.762 -0.940 0.000 1.455 482 H HN 0.143 nan 8.280 nan 0.000 0.501 483 Y N -1.363 119.138 120.300 0.336 0.000 2.432 483 Y HA 0.452 5.178 4.550 0.293 0.000 0.252 483 Y C 2.146 178.318 175.900 0.454 0.000 1.097 483 Y CA 0.193 58.539 58.100 0.409 0.000 1.250 483 Y CB -0.109 38.589 38.460 0.398 0.000 1.245 483 Y HN 0.161 nan 8.280 nan 0.000 0.522 484 A N 1.210 124.392 122.820 0.604 0.000 1.954 484 A HA -0.284 4.212 4.320 0.293 0.000 0.222 484 A C 1.700 179.392 177.584 0.180 0.000 1.199 484 A CA 2.573 54.839 52.037 0.381 0.000 0.657 484 A CB -0.553 18.633 19.000 0.310 0.000 0.823 484 A HN 0.468 nan 8.150 nan 0.000 0.463 485 N N -1.566 117.248 118.700 0.191 0.000 2.204 485 N HA 0.035 4.951 4.740 0.293 0.000 0.219 485 N C -0.172 175.429 175.510 0.152 0.000 1.151 485 N CA -0.122 53.001 53.050 0.123 0.000 0.867 485 N CB 0.078 38.608 38.487 0.071 0.000 1.043 485 N HN 0.588 nan 8.380 nan 0.000 0.516 486 H N 3.336 122.500 119.070 0.157 0.000 2.803 486 H HA 0.102 4.834 4.556 0.293 0.000 0.330 486 H C -1.349 174.040 175.328 0.102 0.000 1.057 486 H CA -0.892 55.257 56.048 0.168 0.000 1.458 486 H CB 1.547 31.503 29.762 0.324 0.000 1.470 486 H HN 0.039 nan 8.280 nan 0.000 0.560 487 P HA -0.021 nan 4.420 nan 0.000 0.229 487 P C 0.470 177.913 177.300 0.239 0.000 1.160 487 P CA 0.839 64.048 63.100 0.182 0.000 0.777 487 P CB 0.501 32.238 31.700 0.061 0.000 0.814 488 R N -0.595 120.172 120.500 0.444 0.000 2.509 488 R HA 0.311 4.827 4.340 0.293 0.000 0.300 488 R C -0.324 175.955 176.300 -0.035 0.000 0.985 488 R CA -0.040 56.157 56.100 0.161 0.000 1.092 488 R CB 0.987 31.390 30.300 0.172 0.000 1.237 488 R HN 0.005 nan 8.270 nan 0.000 0.546 489 V N 1.123 121.014 119.914 -0.038 0.000 2.525 489 V HA 0.418 4.714 4.120 0.293 0.000 0.299 489 V C -0.442 175.649 176.094 -0.005 0.000 1.034 489 V CA -0.860 61.358 62.300 -0.136 0.000 0.863 489 V CB 2.113 33.684 31.823 -0.421 0.000 0.999 489 V HN 0.138 nan 8.190 nan 0.000 0.423 490 R N 4.055 124.540 120.500 -0.024 0.000 2.621 490 R HA 0.839 5.355 4.340 0.293 0.000 0.292 490 R C -1.301 174.998 176.300 -0.001 0.000 0.969 490 R CA -0.479 55.562 56.100 -0.099 0.000 0.887 490 R CB 2.372 32.627 30.300 -0.075 0.000 1.180 490 R HN 0.731 nan 8.270 nan 0.000 0.450 491 F N 0.562 120.538 119.950 0.044 0.000 2.626 491 F HA 0.738 5.441 4.527 0.294 0.000 0.311 491 F C -1.128 174.703 175.800 0.053 0.000 1.088 491 F CA -1.224 56.804 58.000 0.047 0.000 0.949 491 F CB 1.454 40.495 39.000 0.067 0.000 1.322 491 F HN 0.376 nan 8.300 nan 0.000 0.461 492 I N 0.643 121.406 120.570 0.321 0.000 3.095 492 I HA 0.641 4.987 4.170 0.293 0.000 0.310 492 I C -1.387 174.861 176.117 0.218 0.000 1.196 492 I CA -0.578 60.854 61.300 0.220 0.000 0.985 492 I CB 2.530 40.593 38.000 0.106 0.000 1.250 492 I HN 0.823 nan 8.210 nan 0.000 0.446 493 S N 2.916 118.717 115.700 0.168 0.000 2.566 493 S HA 0.747 5.393 4.470 0.293 0.000 0.298 493 S C -1.413 173.243 174.600 0.095 0.000 1.083 493 S CA -0.410 57.868 58.200 0.131 0.000 0.978 493 S CB 1.573 64.850 63.200 0.127 0.000 1.073 493 S HN 0.660 nan 8.310 nan 0.000 0.491 494 Q N 1.192 121.043 119.800 0.084 0.000 2.685 494 Q HA 0.444 4.960 4.340 0.293 0.000 0.301 494 Q C -1.710 174.329 176.000 0.065 0.000 0.924 494 Q CA -1.327 54.516 55.803 0.066 0.000 0.755 494 Q CB 0.800 29.573 28.738 0.058 0.000 1.470 494 Q HN 0.618 nan 8.270 nan 0.000 0.434 495 K N 0.919 121.351 120.400 0.052 0.000 2.237 495 K HA 0.212 4.707 4.320 0.293 0.000 0.270 495 K C -0.330 176.297 176.600 0.044 0.000 1.015 495 K CA -0.526 55.791 56.287 0.051 0.000 0.949 495 K CB 0.497 33.020 32.500 0.038 0.000 0.976 495 K HN 0.616 nan 8.250 nan 0.000 0.472 496 N N 1.447 120.177 118.700 0.050 0.000 2.292 496 N HA -0.124 4.792 4.740 0.293 0.000 0.258 496 N C -0.312 175.179 175.510 -0.031 0.000 1.261 496 N CA 0.690 53.741 53.050 0.002 0.000 0.845 496 N CB 0.455 38.925 38.487 -0.029 0.000 1.064 496 N HN 0.730 nan 8.380 nan 0.000 0.471 497 K N 1.096 121.465 120.400 -0.051 0.000 2.608 497 K HA 0.247 4.743 4.320 0.293 0.000 0.209 497 K C -0.521 176.046 176.600 -0.056 0.000 1.369 497 K CA 0.164 56.427 56.287 -0.040 0.000 1.029 497 K CB 0.550 33.044 32.500 -0.010 0.000 1.139 497 K HN 0.823 nan 8.250 nan 0.000 0.623 498 G N 1.268 110.013 108.800 -0.093 0.000 2.539 498 G HA2 -0.163 3.973 3.960 0.293 0.000 0.686 498 G HA3 -0.163 3.973 3.960 0.293 0.000 0.686 498 G C 0.104 174.970 174.900 -0.057 0.000 1.258 498 G CA -0.362 44.687 45.100 -0.085 0.000 0.846 498 G HN 0.085 nan 8.290 nan 0.000 0.647 499 I N 0.563 121.109 120.570 -0.039 0.000 2.361 499 I HA 0.138 4.484 4.170 0.293 0.000 0.251 499 I C 2.223 178.293 176.117 -0.078 0.000 1.133 499 I CA 2.995 64.283 61.300 -0.020 0.000 1.413 499 I CB -0.552 37.471 38.000 0.039 0.000 1.073 499 I HN 1.018 nan 8.210 nan 0.000 0.424 500 G N -0.395 108.383 108.800 -0.037 0.000 2.404 500 G HA2 -0.263 3.873 3.960 0.293 0.000 0.215 500 G HA3 -0.263 3.873 3.960 0.293 0.000 0.215 500 G C 1.677 176.558 174.900 -0.031 0.000 1.174 500 G CA 0.889 45.986 45.100 -0.007 0.000 0.780 500 G HN 0.494 nan 8.290 nan 0.000 0.537 501 S N 0.693 116.383 115.700 -0.016 0.000 2.357 501 S HA 0.094 4.740 4.470 0.293 0.000 0.221 501 S C 2.773 177.354 174.600 -0.031 0.000 1.031 501 S CA 1.509 59.710 58.200 0.001 0.000 0.982 501 S CB -0.570 62.633 63.200 0.006 0.000 0.853 501 S HN 0.546 nan 8.310 nan 0.000 0.458 502 A N 0.742 123.535 122.820 -0.044 0.000 1.986 502 A HA -0.092 4.404 4.320 0.293 0.000 0.220 502 A C 2.389 179.918 177.584 -0.092 0.000 1.171 502 A CA 2.276 54.296 52.037 -0.028 0.000 0.640 502 A CB -1.113 17.890 19.000 0.005 0.000 0.811 502 A HN 0.565 nan 8.150 nan 0.000 0.451 503 S N 0.158 115.694 115.700 -0.273 0.000 2.368 503 S HA -0.122 4.524 4.470 0.293 0.000 0.224 503 S C 1.904 176.244 174.600 -0.433 0.000 1.029 503 S CA 1.111 58.920 58.200 -0.651 0.000 0.988 503 S CB -0.401 61.701 63.200 -1.830 0.000 0.838 503 S HN 0.691 nan 8.310 nan 0.000 0.462 504 N N 1.180 119.827 118.700 -0.088 0.000 2.166 504 N HA -0.059 4.857 4.740 0.293 0.000 0.186 504 N C 1.713 177.254 175.510 0.051 0.000 1.019 504 N CA 1.323 54.483 53.050 0.183 0.000 0.856 504 N CB -0.741 37.901 38.487 0.259 0.000 0.993 504 N HN 0.327 nan 8.380 nan 0.000 0.426 505 T N 1.030 115.590 114.554 0.009 0.000 2.777 505 T HA 0.014 4.540 4.350 0.293 0.000 0.266 505 T C 2.008 176.703 174.700 -0.007 0.000 1.040 505 T CA 1.172 63.283 62.100 0.017 0.000 1.141 505 T CB -0.210 68.676 68.868 0.031 0.000 0.868 505 T HN 0.318 nan 8.240 nan 0.000 0.444 506 A N 0.953 123.755 122.820 -0.031 0.000 1.877 506 A HA -0.048 4.448 4.320 0.293 0.000 0.216 506 A C 2.552 180.092 177.584 -0.073 0.000 1.186 506 A CA 1.354 53.394 52.037 0.006 0.000 0.620 506 A CB -1.015 18.058 19.000 0.121 0.000 0.822 506 A HN 0.346 nan 8.150 nan 0.000 0.443 507 V N -0.203 119.557 119.914 -0.256 0.000 2.427 507 V HA -0.228 4.068 4.120 0.293 0.000 0.248 507 V C 2.588 178.504 176.094 -0.296 0.000 1.051 507 V CA 2.153 64.206 62.300 -0.412 0.000 1.048 507 V CB -0.800 30.491 31.823 -0.887 0.000 0.666 507 V HN 0.512 nan 8.190 nan 0.000 0.456 508 R N -0.596 119.812 120.500 -0.154 0.000 2.152 508 R HA -0.056 4.460 4.340 0.293 0.000 0.232 508 R C 2.237 178.525 176.300 -0.020 0.000 1.117 508 R CA 1.073 57.154 56.100 -0.031 0.000 0.981 508 R CB -0.288 30.044 30.300 0.053 0.000 0.870 508 R HN 0.416 nan 8.270 nan 0.000 0.451 509 L N 0.356 121.564 121.223 -0.026 0.000 2.141 509 L HA -0.089 4.427 4.340 0.293 0.000 0.209 509 L C 0.565 177.429 176.870 -0.010 0.000 1.094 509 L CA 0.224 55.061 54.840 -0.004 0.000 0.763 509 L CB -0.013 42.052 42.059 0.011 0.000 0.908 509 L HN 0.280 nan 8.230 nan 0.000 0.437 510 C N 0.181 119.460 119.300 -0.035 0.000 2.634 510 C HA -0.031 4.605 4.460 0.293 0.000 0.417 510 C C 1.715 176.697 174.990 -0.014 0.000 1.334 510 C CA -0.130 58.870 59.018 -0.030 0.000 1.829 510 C CB -0.016 27.681 27.740 -0.072 0.000 2.665 510 C HN 0.412 nan 8.230 nan 0.000 0.614 511 R N 0.715 121.223 120.500 0.012 0.000 2.476 511 R HA 0.227 4.743 4.340 0.293 0.000 0.276 511 R C 1.090 177.432 176.300 0.069 0.000 0.941 511 R CA 0.204 56.328 56.100 0.040 0.000 1.088 511 R CB 0.296 30.626 30.300 0.051 0.000 1.216 511 R HN 0.883 nan 8.270 nan 0.000 0.533 512 G N -1.075 107.756 108.800 0.052 0.000 2.563 512 G HA2 0.108 4.244 3.960 0.293 0.000 0.283 512 G HA3 0.108 4.244 3.960 0.293 0.000 0.283 512 G C -0.241 174.714 174.900 0.092 0.000 1.309 512 G CA -0.387 44.767 45.100 0.090 0.000 1.022 512 G HN 0.147 nan 8.290 nan 0.000 0.501 513 F N -1.503 118.407 119.950 -0.067 0.000 2.453 513 F HA 0.418 5.123 4.527 0.297 0.000 0.284 513 F C 0.145 175.691 175.800 -0.422 0.000 1.065 513 F CA -0.299 57.564 58.000 -0.230 0.000 1.411 513 F CB 0.320 39.151 39.000 -0.283 0.000 1.131 513 F HN 0.216 nan 8.300 nan 0.000 0.582 514 Y N 2.309 122.585 120.300 -0.040 0.000 2.350 514 Y HA 0.436 5.163 4.550 0.293 0.000 0.340 514 Y C -0.201 175.547 175.900 -0.253 0.000 1.006 514 Y CA -0.928 57.017 58.100 -0.259 0.000 1.166 514 Y CB 0.457 38.813 38.460 -0.172 0.000 1.168 514 Y HN -0.181 nan 8.280 nan 0.000 0.502 515 I N 3.288 123.676 120.570 -0.303 0.000 2.378 515 I HA 0.574 4.919 4.170 0.293 0.000 0.291 515 I C 0.516 176.355 176.117 -0.465 0.000 0.992 515 I CA -0.667 60.377 61.300 -0.426 0.000 1.154 515 I CB 1.747 39.308 38.000 -0.731 0.000 1.315 515 I HN 0.714 nan 8.210 nan 0.000 0.448 516 G N 4.453 113.160 108.800 -0.155 0.000 2.448 516 G HA2 0.480 4.615 3.960 0.293 0.000 0.324 516 G HA3 0.480 4.615 3.960 0.293 0.000 0.324 516 G C -1.345 173.589 174.900 0.057 0.000 1.203 516 G CA -0.441 44.645 45.100 -0.022 0.000 0.954 516 G HN 0.590 nan 8.290 nan 0.000 0.480 517 Q N 0.719 120.600 119.800 0.135 0.000 2.230 517 Q HA 0.654 5.170 4.340 0.293 0.000 0.253 517 Q C -1.358 174.708 176.000 0.111 0.000 0.919 517 Q CA -0.716 55.047 55.803 -0.067 0.000 0.908 517 Q CB 1.530 30.432 28.738 0.274 0.000 1.245 517 Q HN 0.456 nan 8.270 nan 0.000 0.437 518 L N 4.329 125.474 121.223 -0.130 0.000 2.620 518 L HA 0.316 4.832 4.340 0.293 0.000 0.261 518 L C -1.515 175.348 176.870 -0.012 0.000 0.978 518 L CA -0.645 54.228 54.840 0.055 0.000 0.897 518 L CB 1.698 43.759 42.059 0.004 0.000 1.207 518 L HN 0.791 nan 8.230 nan 0.000 0.425 519 D N 2.207 122.659 120.400 0.087 0.000 2.414 519 D HA 0.016 4.832 4.640 0.293 0.000 0.242 519 D C 1.391 177.718 176.300 0.046 0.000 1.129 519 D CA 0.353 54.403 54.000 0.084 0.000 0.885 519 D CB 1.837 42.723 40.800 0.143 0.000 1.198 519 D HN 0.660 nan 8.370 nan 0.000 0.437 520 S N 1.256 117.002 115.700 0.078 0.000 2.461 520 S HA -0.265 4.381 4.470 0.293 0.000 0.246 520 S C 0.829 175.493 174.600 0.107 0.000 1.007 520 S CA 1.504 59.757 58.200 0.088 0.000 0.976 520 S CB -0.230 63.041 63.200 0.118 0.000 0.763 520 S HN 0.584 nan 8.310 nan 0.000 0.508 521 D N -0.272 120.172 120.400 0.074 0.000 2.395 521 D HA 0.240 5.056 4.640 0.293 0.000 0.213 521 D C -0.149 175.961 176.300 -0.317 0.000 1.110 521 D CA -0.362 53.589 54.000 -0.081 0.000 0.835 521 D CB 0.015 40.864 40.800 0.082 0.000 0.965 521 D HN 0.282 nan 8.370 nan 0.000 0.505 522 D N 0.160 120.423 120.400 -0.228 0.000 2.621 522 D HA 0.535 5.351 4.640 0.293 0.000 0.255 522 D C -0.278 175.824 176.300 -0.332 0.000 1.122 522 D CA -0.623 53.130 54.000 -0.412 0.000 1.096 522 D CB 1.236 41.710 40.800 -0.542 0.000 1.282 522 D HN 0.159 nan 8.370 nan 0.000 0.619 523 F N -1.500 118.095 119.950 -0.590 0.000 2.641 523 F HA 0.530 5.233 4.527 0.293 0.000 0.308 523 F C -1.744 173.721 175.800 -0.557 0.000 1.105 523 F CA -1.236 56.483 58.000 -0.468 0.000 0.964 523 F CB 0.496 39.329 39.000 -0.278 0.000 1.294 523 F HN 0.067 nan 8.300 nan 0.000 0.442 524 L N 2.509 123.616 121.223 -0.194 0.000 2.379 524 L HA 0.486 5.002 4.340 0.293 0.000 0.269 524 L C 0.283 177.138 176.870 -0.025 0.000 1.084 524 L CA -0.980 53.725 54.840 -0.226 0.000 0.802 524 L CB 0.670 42.559 42.059 -0.283 0.000 1.175 524 L HN 0.551 nan 8.230 nan 0.000 0.448 525 E N 2.542 122.713 120.200 -0.049 0.000 2.366 525 E HA 0.112 4.638 4.350 0.293 0.000 0.266 525 E C -1.620 174.967 176.600 -0.022 0.000 1.051 525 E CA -1.806 54.595 56.400 0.002 0.000 0.884 525 E CB 0.919 30.621 29.700 0.003 0.000 1.006 525 E HN 0.347 nan 8.360 nan 0.000 0.417 526 P HA -0.179 nan 4.420 nan 0.000 0.222 526 P C 0.376 177.668 177.300 -0.013 0.000 1.142 526 P CA 1.301 64.384 63.100 -0.029 0.000 0.788 526 P CB 0.324 31.991 31.700 -0.056 0.000 0.767 527 D N -1.573 118.825 120.400 -0.004 0.000 2.395 527 D HA 0.176 4.992 4.640 0.293 0.000 0.213 527 D C 1.564 177.890 176.300 0.044 0.000 1.110 527 D CA -0.057 53.953 54.000 0.016 0.000 0.835 527 D CB -0.387 40.417 40.800 0.007 0.000 0.965 527 D HN 0.010 nan 8.370 nan 0.000 0.505 528 A N 1.089 123.931 122.820 0.037 0.000 1.859 528 A HA -0.173 4.322 4.320 0.293 0.000 0.217 528 A C 2.324 180.052 177.584 0.241 0.000 1.198 528 A CA 2.050 54.144 52.037 0.096 0.000 0.629 528 A CB -0.956 17.959 19.000 -0.142 0.000 0.830 528 A HN 0.161 nan 8.150 nan 0.000 0.446 529 V N -0.085 119.951 119.914 0.203 0.000 2.343 529 V HA -0.269 4.027 4.120 0.293 0.000 0.247 529 V C 2.535 178.712 176.094 0.139 0.000 1.051 529 V CA 2.334 64.774 62.300 0.233 0.000 1.036 529 V CB -0.774 31.155 31.823 0.176 0.000 0.654 529 V HN 0.745 nan 8.190 nan 0.000 0.451 530 E N 0.119 120.375 120.200 0.093 0.000 2.051 530 E HA -0.229 4.297 4.350 0.293 0.000 0.192 530 E C 2.242 178.866 176.600 0.041 0.000 0.991 530 E CA 1.480 57.914 56.400 0.056 0.000 0.799 530 E CB -0.168 29.558 29.700 0.044 0.000 0.748 530 E HN 0.559 nan 8.360 nan 0.000 0.449 531 L N 0.273 121.524 121.223 0.046 0.000 2.081 531 L HA -0.290 4.226 4.340 0.293 0.000 0.212 531 L C 2.703 179.570 176.870 -0.005 0.000 1.080 531 L CA 1.081 55.931 54.840 0.017 0.000 0.754 531 L CB -0.363 41.712 42.059 0.026 0.000 0.893 531 L HN 0.385 nan 8.230 nan 0.000 0.433 532 C N -1.265 118.055 119.300 0.033 0.000 2.486 532 C HA -0.051 4.584 4.460 0.293 0.000 0.279 532 C C 2.613 177.620 174.990 0.029 0.000 1.302 532 C CA -0.163 58.849 59.018 -0.010 0.000 1.720 532 C CB -0.530 27.243 27.740 0.055 0.000 2.030 532 C HN 0.374 nan 8.230 nan 0.000 0.490 533 L N 1.405 122.659 121.223 0.051 0.000 2.012 533 L HA -0.144 4.371 4.340 0.293 0.000 0.210 533 L C 2.089 178.959 176.870 0.000 0.000 1.073 533 L CA 1.949 56.780 54.840 -0.015 0.000 0.748 533 L CB -1.130 40.891 42.059 -0.064 0.000 0.891 533 L HN 0.308 nan 8.230 nan 0.000 0.431 534 D N -0.535 119.859 120.400 -0.010 0.000 2.133 534 D HA -0.211 4.605 4.640 0.293 0.000 0.192 534 D C 2.093 178.380 176.300 -0.023 0.000 1.001 534 D CA 1.338 55.329 54.000 -0.016 0.000 0.844 534 D CB -0.061 40.724 40.800 -0.025 0.000 0.944 534 D HN 0.349 nan 8.370 nan 0.000 0.447 535 E N -0.036 120.119 120.200 -0.076 0.000 2.051 535 E HA -0.128 4.398 4.350 0.293 0.000 0.192 535 E C 2.361 178.917 176.600 -0.074 0.000 0.991 535 E CA 0.456 56.778 56.400 -0.130 0.000 0.799 535 E CB -0.697 28.843 29.700 -0.268 0.000 0.748 535 E HN 0.427 nan 8.360 nan 0.000 0.449 536 F N 0.916 120.829 119.950 -0.061 0.000 2.202 536 F HA -0.198 4.505 4.527 0.294 0.000 0.301 536 F C 2.554 178.399 175.800 0.074 0.000 1.082 536 F CA 0.804 58.809 58.000 0.008 0.000 1.313 536 F CB 0.035 38.934 39.000 -0.168 0.000 1.024 536 F HN -0.062 nan 8.300 nan 0.000 0.495 537 R N 0.555 121.167 120.500 0.186 0.000 2.090 537 R HA -0.035 4.481 4.340 0.293 0.000 0.228 537 R C 1.668 178.032 176.300 0.108 0.000 1.110 537 R CA 1.037 57.216 56.100 0.131 0.000 0.973 537 R CB -0.358 29.974 30.300 0.054 0.000 0.869 537 R HN 0.115 nan 8.270 nan 0.000 0.440 538 K N -0.081 120.362 120.400 0.072 0.000 2.525 538 K HA -0.026 4.470 4.320 0.293 0.000 0.192 538 K C -0.361 176.279 176.600 0.067 0.000 1.029 538 K CA 0.536 56.852 56.287 0.048 0.000 1.029 538 K CB 0.232 32.738 32.500 0.010 0.000 0.814 538 K HN 0.011 nan 8.250 nan 0.000 0.503 539 D N 0.055 120.524 120.400 0.115 0.000 2.362 539 D HA 0.031 4.847 4.640 0.293 0.000 0.228 539 D C 0.314 176.746 176.300 0.220 0.000 1.326 539 D CA -0.197 53.879 54.000 0.126 0.000 0.927 539 D CB 0.199 41.043 40.800 0.073 0.000 1.501 539 D HN -0.114 nan 8.370 nan 0.000 0.519 540 L N 1.307 122.674 121.223 0.240 0.000 2.642 540 L HA -0.047 4.469 4.340 0.293 0.000 0.236 540 L C 1.803 178.873 176.870 0.333 0.000 1.169 540 L CA 0.531 55.585 54.840 0.356 0.000 0.851 540 L CB -0.228 42.016 42.059 0.307 0.000 0.968 540 L HN 0.197 nan 8.230 nan 0.000 0.453 541 S N -0.546 115.289 115.700 0.225 0.000 2.406 541 S HA 0.053 4.699 4.470 0.293 0.000 0.224 541 S C 0.806 175.518 174.600 0.186 0.000 1.030 541 S CA -0.209 58.093 58.200 0.169 0.000 0.958 541 S CB -0.003 63.256 63.200 0.098 0.000 0.811 541 S HN 0.081 nan 8.310 nan 0.000 0.489 542 L N 1.713 123.062 121.223 0.210 0.000 2.693 542 L HA -0.092 4.424 4.340 0.293 0.000 0.292 542 L C 1.183 178.233 176.870 0.300 0.000 1.243 542 L CA 0.414 55.370 54.840 0.194 0.000 0.903 542 L CB -0.206 41.924 42.059 0.118 0.000 1.160 542 L HN 0.183 nan 8.230 nan 0.000 0.496 543 A N 2.553 125.464 122.820 0.152 0.000 2.055 543 A HA 0.232 4.728 4.320 0.293 0.000 0.205 543 A C 0.632 178.274 177.584 0.097 0.000 1.235 543 A CA 0.613 52.729 52.037 0.131 0.000 0.822 543 A CB 0.304 19.349 19.000 0.075 0.000 0.903 543 A HN 0.656 nan 8.150 nan 0.000 0.473 544 C N -0.051 119.076 119.300 -0.288 0.000 2.880 544 C HA 0.651 5.287 4.460 0.293 0.000 0.320 544 C C -1.406 173.272 174.990 -0.520 0.000 1.176 544 C CA -0.208 58.552 59.018 -0.429 0.000 1.390 544 C CB 0.914 27.918 27.740 -1.226 0.000 1.846 544 C HN 1.002 nan 8.230 nan 0.000 0.478 545 V N 5.729 125.410 119.914 -0.389 0.000 2.638 545 V HA 0.915 5.211 4.120 0.293 0.000 0.306 545 V C -1.321 174.677 176.094 -0.160 0.000 1.052 545 V CA -0.371 61.666 62.300 -0.437 0.000 0.885 545 V CB 1.388 32.757 31.823 -0.757 0.000 0.999 545 V HN 1.181 nan 8.190 nan 0.000 0.424 546 Y N 2.067 122.289 120.300 -0.129 0.000 2.581 546 Y HA 0.951 5.676 4.550 0.293 0.000 0.345 546 Y C 0.130 176.123 175.900 0.156 0.000 1.036 546 Y CA -0.127 57.946 58.100 -0.044 0.000 1.042 546 Y CB 1.532 39.938 38.460 -0.091 0.000 1.289 546 Y HN 0.941 nan 8.280 nan 0.000 0.471 547 T N -1.707 113.023 114.554 0.293 0.000 2.797 547 T HA 0.654 5.179 4.350 0.293 0.000 0.267 547 T C -0.117 174.873 174.700 0.484 0.000 0.986 547 T CA 0.003 62.263 62.100 0.266 0.000 0.999 547 T CB 1.431 70.416 68.868 0.196 0.000 1.508 547 T HN 0.938 nan 8.240 nan 0.000 0.595 548 T N -0.551 114.200 114.554 0.328 0.000 2.735 548 T HA 0.705 5.231 4.350 0.293 0.000 0.262 548 T C -0.916 173.880 174.700 0.159 0.000 0.955 548 T CA -0.336 61.903 62.100 0.232 0.000 1.022 548 T CB 0.703 69.635 68.868 0.108 0.000 1.455 548 T HN 1.113 nan 8.240 nan 0.000 0.583 549 N N -0.969 117.783 118.700 0.087 0.000 3.449 549 N HA 0.485 5.401 4.740 0.293 0.000 0.312 549 N C -1.712 173.830 175.510 0.053 0.000 1.582 549 N CA -1.107 52.011 53.050 0.112 0.000 0.850 549 N CB 0.909 39.506 38.487 0.184 0.000 1.822 549 N HN 0.834 nan 8.380 nan 0.000 0.577 550 R N -0.442 120.077 120.500 0.032 0.000 2.628 550 R HA 0.535 5.051 4.340 0.293 0.000 0.288 550 R C -1.427 174.858 176.300 -0.025 0.000 0.980 550 R CA -0.869 55.229 56.100 -0.003 0.000 0.891 550 R CB 1.093 31.379 30.300 -0.024 0.000 1.188 550 R HN 0.470 nan 8.270 nan 0.000 0.450 551 N N 3.338 122.030 118.700 -0.013 0.000 2.497 551 N HA 0.226 5.142 4.740 0.293 0.000 0.271 551 N C -0.602 174.877 175.510 -0.051 0.000 1.142 551 N CA 0.040 53.073 53.050 -0.027 0.000 0.965 551 N CB 0.866 39.352 38.487 -0.002 0.000 1.077 551 N HN 0.450 nan 8.380 nan 0.000 0.462 552 I N 0.800 121.317 120.570 -0.088 0.000 2.740 552 I HA 0.193 4.539 4.170 0.293 0.000 0.303 552 I C 0.421 176.505 176.117 -0.054 0.000 1.044 552 I CA -0.711 60.541 61.300 -0.079 0.000 1.064 552 I CB 2.039 39.950 38.000 -0.147 0.000 1.249 552 I HN 0.373 nan 8.210 nan 0.000 0.433 553 D N 4.505 124.900 120.400 -0.008 0.000 2.339 553 D HA 0.054 4.870 4.640 0.293 0.000 0.245 553 D C 1.121 177.445 176.300 0.040 0.000 1.115 553 D CA -0.306 53.706 54.000 0.021 0.000 0.917 553 D CB 1.339 42.161 40.800 0.037 0.000 1.192 553 D HN 0.417 nan 8.370 nan 0.000 0.428 554 R N 2.585 123.132 120.500 0.079 0.000 2.293 554 R HA -0.123 4.393 4.340 0.293 0.000 0.219 554 R C 1.134 177.548 176.300 0.191 0.000 1.091 554 R CA 0.913 57.113 56.100 0.167 0.000 1.004 554 R CB -0.536 29.896 30.300 0.221 0.000 0.865 554 R HN 0.578 nan 8.270 nan 0.000 0.469 555 E N 0.008 120.280 120.200 0.121 0.000 2.452 555 E HA 0.090 4.616 4.350 0.293 0.000 0.197 555 E C 0.246 176.904 176.600 0.097 0.000 1.022 555 E CA 0.528 56.990 56.400 0.104 0.000 0.890 555 E CB 0.236 29.978 29.700 0.069 0.000 0.918 555 E HN 0.558 nan 8.360 nan 0.000 0.496 556 G N 1.204 110.063 108.800 0.098 0.000 2.179 556 G HA2 -0.247 3.888 3.960 0.293 0.000 0.220 556 G HA3 -0.247 3.888 3.960 0.293 0.000 0.220 556 G C -0.131 174.822 174.900 0.087 0.000 0.990 556 G CA 0.017 45.187 45.100 0.116 0.000 0.646 556 G HN 0.296 nan 8.290 nan 0.000 0.517 557 N N 0.792 119.526 118.700 0.058 0.000 2.479 557 N HA 0.399 5.314 4.740 0.293 0.000 0.257 557 N C 0.236 175.765 175.510 0.031 0.000 1.232 557 N CA -0.524 52.551 53.050 0.042 0.000 0.920 557 N CB 0.942 39.449 38.487 0.034 0.000 1.105 557 N HN 0.185 nan 8.380 nan 0.000 0.444 558 L N 3.674 124.912 121.223 0.026 0.000 2.360 558 L HA 0.127 4.643 4.340 0.293 0.000 0.276 558 L C 0.295 177.172 176.870 0.012 0.000 1.121 558 L CA 0.457 55.306 54.840 0.015 0.000 0.845 558 L CB 0.270 42.338 42.059 0.016 0.000 1.143 558 L HN 0.756 nan 8.230 nan 0.000 0.452 559 I N 3.348 123.921 120.570 0.005 0.000 2.681 559 I HA 0.023 4.368 4.170 0.293 0.000 0.247 559 I C 0.563 176.686 176.117 0.010 0.000 1.091 559 I CA 0.647 61.952 61.300 0.008 0.000 1.442 559 I CB 0.292 38.294 38.000 0.005 0.000 1.219 559 I HN 0.813 nan 8.210 nan 0.000 0.451 560 S N -0.797 114.908 115.700 0.009 0.000 2.627 560 S HA 0.299 4.945 4.470 0.293 0.000 0.268 560 S C -1.070 173.540 174.600 0.016 0.000 1.130 560 S CA -1.084 57.125 58.200 0.015 0.000 0.819 560 S CB 1.202 64.413 63.200 0.020 0.000 1.100 560 S HN -0.005 nan 8.310 nan 0.000 0.465 561 N N 0.372 119.085 118.700 0.021 0.000 2.415 561 N HA 0.429 5.345 4.740 0.293 0.000 0.248 561 N C 0.491 176.021 175.510 0.034 0.000 1.271 561 N CA 0.723 53.786 53.050 0.022 0.000 0.913 561 N CB 0.540 39.041 38.487 0.023 0.000 1.129 561 N HN 0.918 nan 8.380 nan 0.000 0.444 562 G N -0.171 108.647 108.800 0.030 0.000 2.504 562 G HA2 0.184 4.320 3.960 0.293 0.000 0.288 562 G HA3 0.184 4.320 3.960 0.293 0.000 0.288 562 G C -0.624 174.306 174.900 0.051 0.000 1.182 562 G CA -0.312 44.816 45.100 0.047 0.000 0.894 562 G HN 0.475 nan 8.290 nan 0.000 0.521 563 Y N 1.046 121.304 120.300 -0.070 0.000 2.810 563 Y HA 0.171 4.897 4.550 0.293 0.000 0.332 563 Y C 0.019 175.721 175.900 -0.330 0.000 1.243 563 Y CA -0.314 57.737 58.100 -0.082 0.000 1.537 563 Y CB 0.409 38.872 38.460 0.006 0.000 1.265 563 Y HN 0.510 nan 8.280 nan 0.000 0.572 564 N N 7.039 125.468 118.700 -0.453 0.000 2.500 564 N HA 0.140 5.056 4.740 0.293 0.000 0.291 564 N C -2.164 173.253 175.510 -0.154 0.000 1.092 564 N CA -0.670 52.049 53.050 -0.551 0.000 0.890 564 N CB 0.588 38.969 38.487 -0.175 0.000 1.466 564 N HN 0.736 nan 8.380 nan 0.000 0.507 565 W N 7.596 128.816 121.300 -0.132 0.000 2.278 565 W HA 0.376 5.212 4.660 0.292 0.000 0.317 565 W C -2.184 174.399 176.519 0.108 0.000 1.030 565 W CA -2.045 55.280 57.345 -0.033 0.000 1.334 565 W CB 1.424 30.826 29.460 -0.098 0.000 1.215 565 W HN 0.573 nan 8.180 nan 0.000 0.405 566 P HA -0.227 nan 4.420 nan 0.000 0.217 566 P C 0.321 177.689 177.300 0.113 0.000 1.162 566 P CA 1.947 65.058 63.100 0.020 0.000 0.901 566 P CB 0.238 31.838 31.700 -0.165 0.000 0.793 567 I N -2.579 117.942 120.570 -0.081 0.000 2.404 567 I HA 0.214 4.559 4.170 0.293 0.000 0.293 567 I C -0.079 176.213 176.117 0.292 0.000 0.992 567 I CA -1.779 59.572 61.300 0.085 0.000 1.149 567 I CB 0.476 38.464 38.000 -0.020 0.000 1.315 567 I HN -0.065 nan 8.210 nan 0.000 0.446 568 Y N 5.490 125.915 120.300 0.207 0.000 2.307 568 Y HA 0.524 5.251 4.550 0.294 0.000 0.324 568 Y C 0.341 176.325 175.900 0.141 0.000 1.238 568 Y CA 0.109 58.349 58.100 0.233 0.000 1.280 568 Y CB 1.175 39.777 38.460 0.238 0.000 1.248 568 Y HN 0.729 nan 8.280 nan 0.000 0.508 569 S N 4.364 119.477 115.700 -0.979 0.000 2.552 569 S HA 0.405 5.051 4.470 0.293 0.000 0.272 569 S C -0.352 173.564 174.600 -1.140 0.000 1.150 569 S CA -1.041 56.679 58.200 -0.801 0.000 0.849 569 S CB 1.670 64.671 63.200 -0.331 0.000 1.113 569 S HN 0.869 nan 8.310 nan 0.000 0.458 570 R N 0.813 120.873 120.500 -0.733 0.000 2.073 570 R HA 0.014 4.530 4.340 0.293 0.000 0.229 570 R C 1.489 177.488 176.300 -0.502 0.000 1.120 570 R CA 1.691 57.467 56.100 -0.539 0.000 0.967 570 R CB -0.419 29.701 30.300 -0.300 0.000 0.862 570 R HN 0.705 nan 8.270 nan 0.000 0.436 571 E N 1.044 120.853 120.200 -0.653 0.000 2.049 571 E HA -0.239 4.287 4.350 0.293 0.000 0.198 571 E C 1.785 178.126 176.600 -0.432 0.000 1.007 571 E CA 1.412 57.243 56.400 -0.948 0.000 0.809 571 E CB -0.089 28.782 29.700 -1.381 0.000 0.749 571 E HN 0.012 nan 8.360 nan 0.000 0.450 572 K N 0.568 120.747 120.400 -0.369 0.000 2.063 572 K HA -0.126 4.370 4.320 0.293 0.000 0.208 572 K C 1.915 178.329 176.600 -0.310 0.000 1.048 572 K CA 0.924 57.028 56.287 -0.304 0.000 0.928 572 K CB -0.565 31.706 32.500 -0.383 0.000 0.713 572 K HN 0.164 nan 8.250 nan 0.000 0.442 573 L N 0.961 121.974 121.223 -0.349 0.000 2.046 573 L HA -0.110 4.406 4.340 0.293 0.000 0.208 573 L C 2.001 178.818 176.870 -0.088 0.000 1.077 573 L CA 2.558 57.257 54.840 -0.236 0.000 0.747 573 L CB -1.186 40.722 42.059 -0.251 0.000 0.896 573 L HN 0.526 nan 8.230 nan 0.000 0.432 574 T N -4.597 109.891 114.554 -0.109 0.000 3.160 574 T HA 0.011 4.537 4.350 0.293 0.000 0.257 574 T C 1.537 176.166 174.700 -0.117 0.000 1.147 574 T CA 1.058 63.104 62.100 -0.089 0.000 1.064 574 T CB -0.335 68.581 68.868 0.081 0.000 0.949 574 T HN 0.340 nan 8.240 nan 0.000 0.526 575 S N 0.608 116.282 115.700 -0.043 0.000 2.497 575 S HA 0.720 5.366 4.470 0.293 0.000 0.221 575 S C 0.681 175.284 174.600 0.003 0.000 1.037 575 S CA 0.008 58.150 58.200 -0.097 0.000 0.920 575 S CB 0.381 63.595 63.200 0.023 0.000 0.800 575 S HN 0.936 nan 8.310 nan 0.000 0.505 576 A N 0.836 123.659 122.820 0.006 0.000 2.583 576 A HA 0.646 5.142 4.320 0.293 0.000 0.292 576 A C -1.246 176.145 177.584 -0.322 0.000 1.045 576 A CA -0.812 51.241 52.037 0.026 0.000 0.672 576 A CB 0.485 19.527 19.000 0.070 0.000 1.283 576 A HN 0.109 nan 8.150 nan 0.000 0.419 577 M N 2.831 122.030 119.600 -0.669 0.000 2.538 577 M HA 0.331 4.987 4.480 0.293 0.000 0.327 577 M C 0.225 176.301 176.300 -0.373 0.000 1.545 577 M CA -0.246 54.537 55.300 -0.862 0.000 1.380 577 M CB -0.911 31.113 32.600 -0.960 0.000 1.657 577 M HN 0.638 nan 8.290 nan 0.000 0.459 578 I N 0.809 121.112 120.570 -0.445 0.000 4.018 578 I HA 0.294 4.640 4.170 0.293 0.000 0.337 578 I C 0.420 175.880 176.117 -1.094 0.000 1.327 578 I CA -0.274 60.662 61.300 -0.607 0.000 1.100 578 I CB -0.147 37.528 38.000 -0.541 0.000 1.025 578 I HN 0.586 nan 8.210 nan 0.000 0.396 579 C N 4.820 123.579 119.300 -0.901 0.000 3.247 579 C HA 0.229 4.864 4.460 0.293 0.000 0.573 579 C C 1.085 175.468 174.990 -1.011 0.000 1.106 579 C CA -0.419 57.798 59.018 -1.334 0.000 1.209 579 C CB -2.252 24.957 27.740 -0.885 0.000 1.460 579 C HN 0.402 nan 8.230 nan 0.000 0.634 580 H N 1.696 120.460 119.070 -0.511 0.000 3.058 580 H HA -0.010 4.722 4.556 0.293 0.000 0.347 580 H C 0.640 175.843 175.328 -0.207 0.000 1.087 580 H CA 0.725 56.638 56.048 -0.224 0.000 1.375 580 H CB 0.306 30.062 29.762 -0.011 0.000 1.312 580 H HN 0.538 nan 8.280 nan 0.000 0.607 581 H N 1.373 120.376 119.070 -0.112 0.000 2.964 581 H HA -0.050 4.681 4.556 0.293 0.000 0.328 581 H C -0.130 175.080 175.328 -0.196 0.000 1.030 581 H CA 0.469 56.289 56.048 -0.379 0.000 1.445 581 H CB 0.042 29.170 29.762 -1.057 0.000 1.449 581 H HN 0.335 nan 8.280 nan 0.000 0.581 582 F N 4.062 123.993 119.950 -0.031 0.000 2.458 582 F HA 0.405 5.108 4.527 0.293 0.000 0.336 582 F C -0.635 175.225 175.800 0.101 0.000 1.114 582 F CA -1.200 56.812 58.000 0.022 0.000 0.987 582 F CB 0.773 39.900 39.000 0.212 0.000 1.130 582 F HN 0.367 nan 8.300 nan 0.000 0.458 583 R N 5.752 126.199 120.500 -0.088 0.000 2.711 583 R HA 0.717 5.232 4.340 0.293 0.000 0.284 583 R C -1.016 175.201 176.300 -0.140 0.000 0.968 583 R CA -0.682 55.370 56.100 -0.080 0.000 0.924 583 R CB 1.995 32.244 30.300 -0.085 0.000 1.162 583 R HN 0.669 nan 8.270 nan 0.000 0.465 584 M N 3.762 123.332 119.600 -0.050 0.000 2.263 584 M HA 0.472 5.128 4.480 0.293 0.000 0.295 584 M C -1.525 174.944 176.300 0.282 0.000 1.028 584 M CA -0.705 54.588 55.300 -0.011 0.000 0.921 584 M CB 1.793 34.422 32.600 0.049 0.000 1.601 584 M HN 0.578 nan 8.290 nan 0.000 0.440 585 F N -0.797 119.295 119.950 0.236 0.000 2.588 585 F HA 0.707 5.409 4.527 0.292 0.000 0.314 585 F C -0.100 175.684 175.800 -0.027 0.000 1.069 585 F CA -1.070 57.039 58.000 0.182 0.000 0.931 585 F CB 0.656 39.724 39.000 0.113 0.000 1.260 585 F HN 0.322 nan 8.300 nan 0.000 0.465 586 T N 1.578 116.198 114.554 0.110 0.000 2.932 586 T HA 0.357 4.883 4.350 0.293 0.000 0.312 586 T C 1.225 175.746 174.700 -0.298 0.000 1.071 586 T CA 0.636 62.504 62.100 -0.387 0.000 1.128 586 T CB 1.205 69.886 68.868 -0.312 0.000 0.984 586 T HN 0.886 nan 8.240 nan 0.000 0.549 587 A N 3.836 126.190 122.820 -0.777 0.000 1.898 587 A HA -0.058 4.438 4.320 0.293 0.000 0.216 587 A C 2.287 179.724 177.584 -0.245 0.000 1.181 587 A CA 1.512 53.322 52.037 -0.379 0.000 0.620 587 A CB -0.453 18.251 19.000 -0.495 0.000 0.819 587 A HN 0.874 nan 8.150 nan 0.000 0.442 588 R N -0.185 120.006 120.500 -0.515 0.000 2.083 588 R HA -0.148 4.367 4.340 0.293 0.000 0.237 588 R C 2.282 178.454 176.300 -0.214 0.000 1.137 588 R CA 1.649 57.517 56.100 -0.386 0.000 0.951 588 R CB -0.474 29.456 30.300 -0.616 0.000 0.851 588 R HN 0.418 nan 8.270 nan 0.000 0.434 589 A N 0.492 123.212 122.820 -0.166 0.000 1.865 589 A HA -0.238 4.258 4.320 0.293 0.000 0.217 589 A C 1.955 179.497 177.584 -0.070 0.000 1.191 589 A CA 1.476 53.474 52.037 -0.065 0.000 0.623 589 A CB -1.347 17.654 19.000 0.002 0.000 0.826 589 A HN 0.743 nan 8.150 nan 0.000 0.444 590 W N 1.581 122.762 121.300 -0.198 0.000 2.325 590 W HA -0.189 4.646 4.660 0.291 0.000 0.299 590 W C 1.618 178.005 176.519 -0.219 0.000 1.215 590 W CA 1.967 59.128 57.345 -0.306 0.000 1.244 590 W CB -0.200 29.145 29.460 -0.192 0.000 1.140 590 W HN 0.371 nan 8.180 nan 0.000 0.523 591 N N 0.174 118.818 118.700 -0.093 0.000 2.550 591 N HA -0.053 4.863 4.740 0.293 0.000 0.186 591 N C 1.330 176.720 175.510 -0.201 0.000 1.110 591 N CA 1.026 53.963 53.050 -0.189 0.000 0.912 591 N CB -0.260 38.206 38.487 -0.035 0.000 0.968 591 N HN 0.321 nan 8.380 nan 0.000 0.448 592 L N 0.184 121.303 121.223 -0.174 0.000 2.607 592 L HA 0.076 4.592 4.340 0.293 0.000 0.228 592 L C 1.202 177.988 176.870 -0.140 0.000 1.123 592 L CA 0.156 54.957 54.840 -0.065 0.000 0.890 592 L CB 0.036 42.134 42.059 0.064 0.000 1.103 592 L HN 0.091 nan 8.230 nan 0.000 0.468 593 T N -4.469 109.887 114.554 -0.331 0.000 2.889 593 T HA 0.249 4.774 4.350 0.293 0.000 0.278 593 T C 0.634 175.054 174.700 -0.467 0.000 0.995 593 T CA -0.624 61.251 62.100 -0.376 0.000 0.966 593 T CB 1.346 69.921 68.868 -0.488 0.000 1.237 593 T HN 0.037 nan 8.240 nan 0.000 0.591 594 E N -0.047 119.902 120.200 -0.418 0.000 2.465 594 E HA 0.415 4.940 4.350 0.293 0.000 0.191 594 E C 1.034 177.365 176.600 -0.448 0.000 1.053 594 E CA 0.032 56.210 56.400 -0.371 0.000 0.869 594 E CB -0.124 29.430 29.700 -0.242 0.000 0.977 594 E HN 1.015 nan 8.360 nan 0.000 0.483 595 G N 1.065 109.443 108.800 -0.703 0.000 2.760 595 G HA2 -0.290 3.846 3.960 0.293 0.000 0.246 595 G HA3 -0.290 3.846 3.960 0.293 0.000 0.246 595 G C -0.395 174.308 174.900 -0.328 0.000 1.359 595 G CA -0.856 43.864 45.100 -0.634 0.000 0.861 595 G HN 0.153 nan 8.290 nan 0.000 0.541 596 F N 0.789 120.755 119.950 0.027 0.000 2.496 596 F HA 0.276 4.979 4.527 0.293 0.000 0.344 596 F C 1.359 177.135 175.800 -0.039 0.000 1.155 596 F CA 0.179 58.179 58.000 0.000 0.000 1.302 596 F CB 0.555 39.585 39.000 0.050 0.000 1.159 596 F HN 0.464 nan 8.300 nan 0.000 0.595 597 N N 2.311 121.102 118.700 0.151 0.000 2.411 597 N HA 0.014 4.930 4.740 0.293 0.000 0.259 597 N C 0.053 175.598 175.510 0.058 0.000 1.103 597 N CA 0.134 53.210 53.050 0.045 0.000 0.954 597 N CB 0.519 38.997 38.487 -0.014 0.000 1.085 597 N HN 0.654 nan 8.380 nan 0.000 0.485 598 E N 0.989 121.211 120.200 0.037 0.000 2.465 598 E HA -0.002 4.524 4.350 0.293 0.000 0.191 598 E C 0.782 177.381 176.600 -0.001 0.000 1.053 598 E CA 0.034 56.449 56.400 0.025 0.000 0.869 598 E CB 0.331 30.049 29.700 0.030 0.000 0.977 598 E HN 0.643 nan 8.360 nan 0.000 0.483 599 S N 0.175 115.866 115.700 -0.015 0.000 2.524 599 S HA 0.102 4.748 4.470 0.293 0.000 0.222 599 S C 0.895 175.473 174.600 -0.038 0.000 1.040 599 S CA -0.577 57.612 58.200 -0.018 0.000 0.915 599 S CB -0.248 62.944 63.200 -0.014 0.000 0.831 599 S HN 0.257 nan 8.310 nan 0.000 0.492 600 I N -0.104 120.403 120.570 -0.106 0.000 2.428 600 I HA 0.594 4.939 4.170 0.293 0.000 0.296 600 I C 0.965 176.948 176.117 -0.224 0.000 0.985 600 I CA -0.769 60.365 61.300 -0.276 0.000 1.260 600 I CB 1.664 39.326 38.000 -0.563 0.000 1.389 600 I HN -0.124 nan 8.210 nan 0.000 0.484 601 S N 3.579 119.205 115.700 -0.122 0.000 2.368 601 S HA -0.082 4.564 4.470 0.293 0.000 0.224 601 S C 0.379 175.019 174.600 0.067 0.000 1.029 601 S CA 1.552 59.797 58.200 0.075 0.000 0.988 601 S CB -0.599 62.756 63.200 0.258 0.000 0.838 601 S HN 0.952 nan 8.310 nan 0.000 0.462 602 N N -2.117 116.625 118.700 0.069 0.000 2.774 602 N HA 0.636 5.551 4.740 0.293 0.000 0.264 602 N C -0.362 175.211 175.510 0.105 0.000 1.415 602 N CA -0.299 52.841 53.050 0.150 0.000 0.815 602 N CB 0.885 39.522 38.487 0.249 0.000 1.514 602 N HN 0.082 nan 8.380 nan 0.000 0.523 603 A N -1.811 121.116 122.820 0.179 0.000 3.168 603 A HA -0.169 4.327 4.320 0.293 0.000 0.249 603 A C 1.020 178.690 177.584 0.143 0.000 1.280 603 A CA 0.758 52.918 52.037 0.205 0.000 1.128 603 A CB -2.506 16.633 19.000 0.233 0.000 1.160 603 A HN 0.673 nan 8.150 nan 0.000 0.900 604 V N 1.304 121.296 119.914 0.129 0.000 2.594 604 V HA -0.287 4.009 4.120 0.293 0.000 0.253 604 V C 2.499 178.743 176.094 0.249 0.000 1.069 604 V CA 2.635 65.029 62.300 0.158 0.000 1.082 604 V CB -0.629 31.294 31.823 0.166 0.000 0.680 604 V HN 0.937 nan 8.190 nan 0.000 0.469 605 D N -0.958 119.612 120.400 0.284 0.000 2.120 605 D HA -0.229 4.586 4.640 0.293 0.000 0.202 605 D C 2.152 178.687 176.300 0.391 0.000 0.972 605 D CA 1.058 55.283 54.000 0.375 0.000 0.837 605 D CB -0.711 40.298 40.800 0.348 0.000 0.989 605 D HN 0.404 nan 8.370 nan 0.000 0.469 606 Y N 1.793 122.166 120.300 0.122 0.000 2.256 606 Y HA -0.151 4.575 4.550 0.293 0.000 0.288 606 Y C 1.769 177.647 175.900 -0.035 0.000 1.155 606 Y CA 1.429 59.543 58.100 0.024 0.000 1.203 606 Y CB -0.732 37.683 38.460 -0.075 0.000 0.980 606 Y HN 0.055 nan 8.280 nan 0.000 0.530 607 D N -0.859 119.553 120.400 0.021 0.000 2.077 607 D HA -0.222 4.594 4.640 0.293 0.000 0.196 607 D C 2.284 178.482 176.300 -0.169 0.000 0.986 607 D CA 1.467 55.380 54.000 -0.145 0.000 0.829 607 D CB -0.230 40.505 40.800 -0.109 0.000 0.983 607 D HN 0.197 nan 8.370 nan 0.000 0.453 608 M N -0.465 119.019 119.600 -0.193 0.000 2.089 608 M HA -0.209 4.447 4.480 0.293 0.000 0.257 608 M C 1.461 177.443 176.300 -0.530 0.000 1.071 608 M CA 1.682 56.691 55.300 -0.484 0.000 1.096 608 M CB -0.828 31.375 32.600 -0.661 0.000 1.330 608 M HN 0.231 nan 8.290 nan 0.000 0.403 609 Y N -1.203 119.086 120.300 -0.019 0.000 2.373 609 Y HA -0.071 4.655 4.550 0.293 0.000 0.293 609 Y C 2.046 177.970 175.900 0.040 0.000 1.129 609 Y CA 0.715 58.867 58.100 0.088 0.000 1.226 609 Y CB -0.625 37.911 38.460 0.127 0.000 1.000 609 Y HN 0.186 nan 8.280 nan 0.000 0.549 610 L N 0.495 121.729 121.223 0.018 0.000 2.056 610 L HA -0.168 4.348 4.340 0.293 0.000 0.207 610 L C 1.984 178.794 176.870 -0.101 0.000 1.078 610 L CA 1.714 56.492 54.840 -0.103 0.000 0.749 610 L CB -0.814 41.078 42.059 -0.277 0.000 0.901 610 L HN 0.124 nan 8.230 nan 0.000 0.433 611 K N -0.938 119.379 120.400 -0.139 0.000 2.025 611 K HA -0.122 4.373 4.320 0.293 0.000 0.207 611 K C 2.070 178.630 176.600 -0.066 0.000 1.049 611 K CA 1.113 57.314 56.287 -0.143 0.000 0.933 611 K CB -0.269 32.083 32.500 -0.245 0.000 0.714 611 K HN 0.238 nan 8.250 nan 0.000 0.438 612 L N 1.398 122.598 121.223 -0.039 0.000 2.083 612 L HA -0.176 4.340 4.340 0.293 0.000 0.209 612 L C 2.528 179.611 176.870 0.355 0.000 1.083 612 L CA 1.298 56.212 54.840 0.124 0.000 0.752 612 L CB -0.617 41.528 42.059 0.144 0.000 0.899 612 L HN 0.271 nan 8.230 nan 0.000 0.433 613 S N -0.775 115.062 115.700 0.228 0.000 2.500 613 S HA -0.174 4.472 4.470 0.293 0.000 0.239 613 S C 1.491 176.112 174.600 0.035 0.000 0.989 613 S CA 1.120 59.271 58.200 -0.082 0.000 0.951 613 S CB -0.281 62.720 63.200 -0.332 0.000 0.759 613 S HN 0.533 nan 8.310 nan 0.000 0.523 614 E N 0.075 120.328 120.200 0.089 0.000 2.400 614 E HA 0.190 4.716 4.350 0.293 0.000 0.195 614 E C 1.452 178.206 176.600 0.256 0.000 1.012 614 E CA 0.221 56.708 56.400 0.145 0.000 0.875 614 E CB 0.314 30.087 29.700 0.121 0.000 0.859 614 E HN 0.398 nan 8.360 nan 0.000 0.498 615 V N -0.109 119.926 119.914 0.202 0.000 3.307 615 V HA 0.260 4.556 4.120 0.293 0.000 0.253 615 V C 0.747 176.808 176.094 -0.055 0.000 1.149 615 V CA 0.916 63.310 62.300 0.156 0.000 1.112 615 V CB 1.068 33.003 31.823 0.187 0.000 0.777 615 V HN 0.259 nan 8.190 nan 0.000 0.464 616 G N 0.078 108.927 108.800 0.081 0.000 2.601 616 G HA2 0.495 4.631 3.960 0.293 0.000 0.291 616 G HA3 0.495 4.631 3.960 0.293 0.000 0.291 616 G C -3.346 171.695 174.900 0.235 0.000 1.456 616 G CA -0.851 44.289 45.100 0.067 0.000 0.804 616 G HN -0.144 nan 8.290 nan 0.000 0.499 617 P HA 0.451 nan 4.420 nan 0.000 0.272 617 P C -1.128 176.365 177.300 0.322 0.000 1.223 617 P CA -0.085 63.156 63.100 0.234 0.000 0.784 617 P CB 0.946 32.719 31.700 0.121 0.000 0.923 618 F N 0.965 120.743 119.950 -0.286 0.000 2.523 618 F HA 0.603 5.306 4.527 0.293 0.000 0.329 618 F C 0.744 176.266 175.800 -0.463 0.000 1.061 618 F CA -0.805 56.878 58.000 -0.529 0.000 0.967 618 F CB 1.602 39.877 39.000 -1.207 0.000 1.218 618 F HN 0.152 nan 8.300 nan 0.000 0.480 619 K N 1.053 121.307 120.400 -0.243 0.000 2.507 619 K HA 0.262 4.758 4.320 0.293 0.000 0.251 619 K C -1.607 174.758 176.600 -0.392 0.000 0.943 619 K CA -0.430 55.707 56.287 -0.250 0.000 0.794 619 K CB 0.938 33.273 32.500 -0.275 0.000 1.188 619 K HN 0.741 nan 8.250 nan 0.000 0.428 620 H N 5.568 124.348 119.070 -0.482 0.000 2.466 620 H HA 0.469 5.200 4.556 0.293 0.000 0.338 620 H C -0.802 174.313 175.328 -0.355 0.000 1.091 620 H CA -0.825 54.790 56.048 -0.722 0.000 1.207 620 H CB 0.940 30.301 29.762 -0.667 0.000 1.466 620 H HN 0.555 nan 8.280 nan 0.000 0.493 621 I N 4.554 124.701 120.570 -0.704 0.000 2.336 621 I HA 0.051 4.397 4.170 0.293 0.000 0.292 621 I C 0.316 176.004 176.117 -0.716 0.000 0.991 621 I CA -0.770 60.212 61.300 -0.529 0.000 1.227 621 I CB 1.208 39.042 38.000 -0.277 0.000 1.366 621 I HN 0.572 nan 8.210 nan 0.000 0.466 622 N N 7.310 125.702 118.700 -0.514 0.000 3.243 622 N HA 0.125 5.041 4.740 0.293 0.000 0.310 622 N C -0.505 174.915 175.510 -0.150 0.000 1.313 622 N CA 0.095 52.947 53.050 -0.330 0.000 1.204 622 N CB 0.166 38.535 38.487 -0.196 0.000 1.483 622 N HN 0.449 nan 8.380 nan 0.000 0.553 623 K N 0.560 120.889 120.400 -0.118 0.000 2.395 623 K HA 0.496 4.992 4.320 0.293 0.000 0.247 623 K C -0.003 176.604 176.600 0.011 0.000 0.973 623 K CA -0.680 55.581 56.287 -0.043 0.000 0.828 623 K CB 2.269 34.747 32.500 -0.037 0.000 1.272 623 K HN 0.032 nan 8.250 nan 0.000 0.439 624 I N 1.987 122.571 120.570 0.023 0.000 2.307 624 I HA 0.142 4.487 4.170 0.293 0.000 0.287 624 I C 0.244 176.394 176.117 0.054 0.000 1.054 624 I CA -0.472 60.857 61.300 0.048 0.000 1.218 624 I CB 0.304 38.321 38.000 0.028 0.000 1.398 624 I HN 0.541 nan 8.210 nan 0.000 0.475 625 C N 4.697 124.055 119.300 0.097 0.000 3.243 625 C HA 0.284 4.920 4.460 0.293 0.000 0.286 625 C C 0.306 175.345 174.990 0.081 0.000 1.373 625 C CA -0.514 58.553 59.018 0.081 0.000 1.749 625 C CB -1.402 26.409 27.740 0.117 0.000 2.313 625 C HN 0.622 nan 8.230 nan 0.000 0.644 626 Y N 1.444 121.706 120.300 -0.064 0.000 2.602 626 Y HA 0.531 5.257 4.550 0.293 0.000 0.342 626 Y C -0.761 174.984 175.900 -0.260 0.000 1.029 626 Y CA -0.677 57.330 58.100 -0.154 0.000 1.080 626 Y CB 1.129 39.562 38.460 -0.044 0.000 1.284 626 Y HN 0.069 nan 8.280 nan 0.000 0.485 627 N N 3.437 121.748 118.700 -0.649 0.000 2.581 627 N HA 0.230 5.146 4.740 0.293 0.000 0.279 627 N C -1.685 173.404 175.510 -0.702 0.000 1.124 627 N CA -0.627 51.965 53.050 -0.763 0.000 0.833 627 N CB 2.068 39.568 38.487 -1.645 0.000 1.338 627 N HN 0.576 nan 8.380 nan 0.000 0.533 628 R N 1.580 121.934 120.500 -0.244 0.000 2.407 628 R HA 0.461 4.977 4.340 0.293 0.000 0.303 628 R C -0.655 175.502 176.300 -0.240 0.000 0.981 628 R CA -0.467 55.531 56.100 -0.170 0.000 0.905 628 R CB 1.032 31.357 30.300 0.042 0.000 1.099 628 R HN 0.100 nan 8.270 nan 0.000 0.459 629 V N 6.031 125.751 119.914 -0.323 0.000 2.555 629 V HA 0.069 4.365 4.120 0.293 0.000 0.286 629 V C 0.520 176.398 176.094 -0.361 0.000 1.044 629 V CA -0.263 61.839 62.300 -0.329 0.000 1.026 629 V CB 1.237 32.817 31.823 -0.405 0.000 0.981 629 V HN 0.701 nan 8.190 nan 0.000 0.480 630 L N 6.155 127.267 121.223 -0.186 0.000 2.939 630 L HA 0.172 4.688 4.340 0.293 0.000 0.239 630 L C 1.867 178.724 176.870 -0.020 0.000 1.325 630 L CA 0.588 55.361 54.840 -0.112 0.000 1.170 630 L CB -1.027 41.013 42.059 -0.032 0.000 1.538 630 L HN 0.825 nan 8.230 nan 0.000 0.452 631 H N -3.360 115.743 119.070 0.056 0.000 2.524 631 H HA 0.059 4.791 4.556 0.293 0.000 0.282 631 H C 1.536 176.908 175.328 0.073 0.000 1.016 631 H CA 0.554 56.647 56.048 0.075 0.000 1.270 631 H CB 0.158 29.984 29.762 0.106 0.000 1.394 631 H HN 0.391 nan 8.280 nan 0.000 0.568 632 G N 0.615 109.596 108.800 0.300 0.000 3.094 632 G HA2 -0.051 4.085 3.960 0.293 0.000 0.208 632 G HA3 -0.051 4.085 3.960 0.293 0.000 0.208 632 G C 0.049 175.037 174.900 0.148 0.000 1.189 632 G CA -0.083 45.185 45.100 0.280 0.000 0.856 632 G HN 0.595 nan 8.290 nan 0.000 0.510 633 E N -0.373 119.902 120.200 0.126 0.000 2.646 633 E HA 0.246 4.772 4.350 0.293 0.000 0.336 633 E C -0.546 176.103 176.600 0.081 0.000 1.027 633 E CA -0.521 55.928 56.400 0.082 0.000 0.765 633 E CB 0.310 30.041 29.700 0.053 0.000 1.545 633 E HN 0.065 nan 8.360 nan 0.000 0.382 634 N N 0.776 119.522 118.700 0.078 0.000 2.702 634 N HA 0.025 4.941 4.740 0.293 0.000 0.357 634 N C -0.711 174.830 175.510 0.052 0.000 0.955 634 N CA 0.259 53.349 53.050 0.066 0.000 1.723 634 N CB 0.993 39.530 38.487 0.084 0.000 0.786 634 N HN 0.250 nan 8.380 nan 0.000 1.632 635 T N 1.371 115.956 114.554 0.053 0.000 3.504 635 T HA 0.440 4.966 4.350 0.293 0.000 0.286 635 T C -1.265 173.459 174.700 0.039 0.000 1.530 635 T CA -0.219 61.904 62.100 0.040 0.000 1.652 635 T CB -0.644 68.245 68.868 0.034 0.000 0.895 635 T HN 0.119 nan 8.240 nan 0.000 0.674 636 S N 4.758 120.483 115.700 0.041 0.000 2.485 636 S HA 0.366 5.012 4.470 0.293 0.000 0.312 636 S C 0.721 175.337 174.600 0.028 0.000 1.102 636 S CA -0.687 57.537 58.200 0.040 0.000 1.066 636 S CB -0.473 62.755 63.200 0.047 0.000 1.102 636 S HN 0.716 nan 8.310 nan 0.000 0.519 637 I N 2.281 122.866 120.570 0.024 0.000 2.598 637 I HA 0.051 4.397 4.170 0.293 0.000 0.284 637 I C 1.700 177.824 176.117 0.013 0.000 1.140 637 I CA -0.449 60.861 61.300 0.017 0.000 1.420 637 I CB 0.191 38.201 38.000 0.016 0.000 1.387 637 I HN 0.595 nan 8.210 nan 0.000 0.553 638 K N 4.954 125.359 120.400 0.008 0.000 2.635 638 K HA -0.344 4.152 4.320 0.293 0.000 0.203 638 K C 1.880 178.479 176.600 -0.002 0.000 0.873 638 K CA 2.403 58.691 56.287 0.002 0.000 0.919 638 K CB -0.165 32.334 32.500 -0.001 0.000 1.309 638 K HN 0.653 nan 8.250 nan 0.000 0.542 639 K N 0.155 120.555 120.400 -0.000 0.000 2.173 639 K HA -0.183 4.313 4.320 0.293 0.000 0.207 639 K C 2.058 178.653 176.600 -0.007 0.000 1.046 639 K CA 1.482 57.767 56.287 -0.004 0.000 0.929 639 K CB -0.178 32.323 32.500 0.001 0.000 0.720 639 K HN 0.215 nan 8.250 nan 0.000 0.453 640 L N 0.628 121.852 121.223 0.002 0.000 2.307 640 L HA -0.066 4.450 4.340 0.293 0.000 0.211 640 L C 1.636 178.506 176.870 -0.001 0.000 1.099 640 L CA 1.236 56.079 54.840 0.005 0.000 0.816 640 L CB -0.276 41.798 42.059 0.026 0.000 0.952 640 L HN -0.007 nan 8.230 nan 0.000 0.455 641 D N -0.378 120.021 120.400 -0.002 0.000 2.144 641 D HA -0.113 4.703 4.640 0.293 0.000 0.200 641 D C 2.305 178.592 176.300 -0.022 0.000 0.978 641 D CA 0.991 54.987 54.000 -0.006 0.000 0.833 641 D CB 0.129 40.925 40.800 -0.006 0.000 0.961 641 D HN 0.162 nan 8.370 nan 0.000 0.470 642 I N 1.252 121.804 120.570 -0.030 0.000 2.315 642 I HA -0.245 4.101 4.170 0.293 0.000 0.248 642 I C 2.513 178.589 176.117 -0.070 0.000 1.117 642 I CA 0.919 62.195 61.300 -0.041 0.000 1.404 642 I CB -0.744 37.234 38.000 -0.035 0.000 1.071 642 I HN 0.191 nan 8.210 nan 0.000 0.419 643 Q N 1.621 121.358 119.800 -0.105 0.000 2.050 643 Q HA -0.223 4.293 4.340 0.293 0.000 0.202 643 Q C 2.018 177.861 176.000 -0.262 0.000 0.980 643 Q CA 1.425 57.078 55.803 -0.250 0.000 0.840 643 Q CB -0.405 28.170 28.738 -0.270 0.000 0.898 643 Q HN 0.364 nan 8.270 nan 0.000 0.424 644 K N 0.702 121.055 120.400 -0.078 0.000 2.015 644 K HA -0.279 4.217 4.320 0.293 0.000 0.216 644 K C 2.160 178.821 176.600 0.101 0.000 1.052 644 K CA 1.931 58.254 56.287 0.060 0.000 0.937 644 K CB -0.240 32.303 32.500 0.071 0.000 0.719 644 K HN 0.330 nan 8.250 nan 0.000 0.446 645 E N 1.456 121.673 120.200 0.029 0.000 2.097 645 E HA -0.255 4.271 4.350 0.293 0.000 0.196 645 E C 1.880 178.552 176.600 0.119 0.000 1.000 645 E CA 1.672 58.089 56.400 0.028 0.000 0.804 645 E CB -0.220 29.463 29.700 -0.028 0.000 0.740 645 E HN 0.267 nan 8.360 nan 0.000 0.454 646 N N -0.229 118.496 118.700 0.043 0.000 2.013 646 N HA -0.241 4.675 4.740 0.293 0.000 0.195 646 N C 1.854 177.465 175.510 0.168 0.000 1.051 646 N CA 2.074 55.154 53.050 0.051 0.000 0.851 646 N CB -0.504 37.941 38.487 -0.070 0.000 1.044 646 N HN 0.472 nan 8.380 nan 0.000 0.422 647 H N -0.879 118.274 119.070 0.138 0.000 2.319 647 H HA -0.163 4.569 4.556 0.293 0.000 0.297 647 H C 1.997 177.424 175.328 0.165 0.000 1.097 647 H CA 1.667 57.791 56.048 0.127 0.000 1.285 647 H CB -0.347 29.492 29.762 0.128 0.000 1.368 647 H HN 0.281 nan 8.280 nan 0.000 0.495 648 F N 2.012 122.103 119.950 0.235 0.000 2.043 648 F HA -0.317 4.386 4.527 0.294 0.000 0.297 648 F C 2.178 178.061 175.800 0.139 0.000 1.118 648 F CA 1.707 59.842 58.000 0.225 0.000 1.202 648 F CB -0.015 39.121 39.000 0.227 0.000 0.965 648 F HN -0.111 nan 8.300 nan 0.000 0.482 649 K N 0.353 121.073 120.400 0.534 0.000 2.057 649 K HA -0.100 4.395 4.320 0.293 0.000 0.207 649 K C 1.956 178.611 176.600 0.091 0.000 1.049 649 K CA 1.521 58.025 56.287 0.361 0.000 0.931 649 K CB -0.919 31.795 32.500 0.357 0.000 0.714 649 K HN 0.258 nan 8.250 nan 0.000 0.440 650 V N 0.275 120.248 119.914 0.098 0.000 2.231 650 V HA -0.282 4.014 4.120 0.293 0.000 0.248 650 V C 2.189 178.235 176.094 -0.081 0.000 1.054 650 V CA 1.887 64.208 62.300 0.034 0.000 1.015 650 V CB -0.657 31.221 31.823 0.091 0.000 0.638 650 V HN 0.051 nan 8.190 nan 0.000 0.444 651 V N 0.366 120.198 119.914 -0.136 0.000 2.278 651 V HA -0.378 3.918 4.120 0.293 0.000 0.251 651 V C 2.284 178.118 176.094 -0.432 0.000 1.062 651 V CA 2.746 64.876 62.300 -0.284 0.000 1.038 651 V CB -1.054 30.556 31.823 -0.354 0.000 0.646 651 V HN 0.609 nan 8.190 nan 0.000 0.447 652 N N -0.578 117.787 118.700 -0.558 0.000 2.120 652 N HA -0.155 4.760 4.740 0.293 0.000 0.188 652 N C 1.848 177.145 175.510 -0.355 0.000 1.024 652 N CA 1.244 53.901 53.050 -0.655 0.000 0.852 652 N CB -0.094 37.817 38.487 -0.960 0.000 1.003 652 N HN 0.456 nan 8.380 nan 0.000 0.424 653 E N -0.063 120.018 120.200 -0.199 0.000 2.072 653 E HA -0.036 4.490 4.350 0.293 0.000 0.191 653 E C 1.917 178.468 176.600 -0.081 0.000 0.985 653 E CA 0.649 57.004 56.400 -0.075 0.000 0.801 653 E CB -0.505 29.190 29.700 -0.008 0.000 0.750 653 E HN 0.238 nan 8.360 nan 0.000 0.452 654 S N 1.146 116.781 115.700 -0.108 0.000 2.440 654 S HA -0.110 4.536 4.470 0.293 0.000 0.240 654 S C 1.278 175.814 174.600 -0.107 0.000 1.014 654 S CA 0.246 58.387 58.200 -0.099 0.000 0.980 654 S CB -0.156 62.975 63.200 -0.114 0.000 0.775 654 S HN 0.202 nan 8.310 nan 0.000 0.499 655 L N 2.815 123.956 121.223 -0.136 0.000 2.650 655 L HA 0.191 4.706 4.340 0.293 0.000 0.239 655 L C 0.746 177.583 176.870 -0.054 0.000 1.412 655 L CA 0.523 55.293 54.840 -0.117 0.000 1.219 655 L CB -1.128 40.825 42.059 -0.177 0.000 1.534 655 L HN 0.289 nan 8.230 nan 0.000 0.430 656 S N -0.181 115.492 115.700 -0.044 0.000 2.780 656 S HA 0.112 4.758 4.470 0.293 0.000 0.248 656 S C 1.301 175.884 174.600 -0.029 0.000 1.036 656 S CA -0.575 57.616 58.200 -0.015 0.000 1.061 656 S CB 0.126 63.321 63.200 -0.009 0.000 1.037 656 S HN 0.723 nan 8.310 nan 0.000 0.584 657 R N 0.889 121.361 120.500 -0.047 0.000 2.323 657 R HA 0.330 4.846 4.340 0.293 0.000 0.198 657 R C 1.112 177.383 176.300 -0.048 0.000 0.988 657 R CA 0.335 56.400 56.100 -0.057 0.000 1.041 657 R CB -0.670 29.585 30.300 -0.075 0.000 0.926 657 R HN 0.371 nan 8.270 nan 0.000 0.476 658 L N 0.713 121.921 121.223 -0.026 0.000 2.592 658 L HA 0.263 4.779 4.340 0.293 0.000 0.227 658 L C 0.848 177.713 176.870 -0.008 0.000 1.127 658 L CA 0.386 55.222 54.840 -0.007 0.000 0.884 658 L CB 0.156 42.227 42.059 0.021 0.000 1.065 658 L HN 0.562 nan 8.230 nan 0.000 0.457 659 G N 1.367 110.158 108.800 -0.016 0.000 2.176 659 G HA2 -0.297 3.839 3.960 0.293 0.000 0.252 659 G HA3 -0.297 3.839 3.960 0.293 0.000 0.252 659 G C 0.135 175.038 174.900 0.005 0.000 1.024 659 G CA -0.109 44.983 45.100 -0.013 0.000 0.755 659 G HN 0.327 nan 8.290 nan 0.000 0.507 660 I N 0.242 120.824 120.570 0.020 0.000 2.322 660 I HA 0.254 4.600 4.170 0.293 0.000 0.292 660 I C 1.282 177.429 176.117 0.050 0.000 1.060 660 I CA -0.508 60.816 61.300 0.040 0.000 1.309 660 I CB 1.064 39.096 38.000 0.053 0.000 1.415 660 I HN -0.072 nan 8.210 nan 0.000 0.492 661 K N 5.360 125.784 120.400 0.040 0.000 2.329 661 K HA 0.048 4.544 4.320 0.293 0.000 0.198 661 K C 1.592 178.205 176.600 0.022 0.000 1.085 661 K CA 0.460 56.764 56.287 0.028 0.000 0.961 661 K CB 0.092 32.595 32.500 0.005 0.000 0.971 661 K HN 0.523 nan 8.250 nan 0.000 0.502 662 K N -0.364 120.045 120.400 0.015 0.000 2.574 662 K HA -0.026 4.470 4.320 0.293 0.000 0.193 662 K C -0.210 176.280 176.600 -0.184 0.000 1.035 662 K CA 0.768 57.008 56.287 -0.078 0.000 0.982 662 K CB -0.059 32.391 32.500 -0.083 0.000 0.795 662 K HN -0.033 nan 8.250 nan 0.000 0.491 663 Y N 0.424 120.732 120.300 0.013 0.000 2.534 663 Y HA 0.319 5.045 4.550 0.293 0.000 0.345 663 Y C -1.032 174.965 175.900 0.161 0.000 1.031 663 Y CA -1.214 56.935 58.100 0.081 0.000 1.022 663 Y CB 2.496 40.973 38.460 0.029 0.000 1.292 663 Y HN -0.171 nan 8.280 nan 0.000 0.459 664 K N 3.016 123.654 120.400 0.398 0.000 2.545 664 K HA 0.279 4.775 4.320 0.293 0.000 0.252 664 K C -1.846 174.923 176.600 0.282 0.000 0.948 664 K CA -0.758 55.699 56.287 0.284 0.000 0.827 664 K CB 0.911 33.500 32.500 0.149 0.000 1.128 664 K HN 0.714 nan 8.250 nan 0.000 0.429 665 Y N 3.348 123.670 120.300 0.037 0.000 2.650 665 Y HA 0.131 4.857 4.550 0.293 0.000 0.342 665 Y C -0.923 174.884 175.900 -0.156 0.000 1.110 665 Y CA 0.793 58.685 58.100 -0.346 0.000 1.438 665 Y CB 0.478 38.637 38.460 -0.502 0.000 1.181 665 Y HN 0.481 nan 8.280 nan 0.000 0.526 666 S N 7.700 123.194 115.700 -0.342 0.000 2.600 666 S HA 0.504 5.149 4.470 0.293 0.000 0.300 666 S C -2.750 171.697 174.600 -0.255 0.000 1.087 666 S CA -1.590 56.495 58.200 -0.192 0.000 0.965 666 S CB 1.890 65.045 63.200 -0.075 0.000 1.089 666 S HN 0.487 nan 8.310 nan 0.000 0.496 667 P HA 0.159 nan 4.420 nan 0.000 0.271 667 P C 0.321 177.546 177.300 -0.125 0.000 1.216 667 P CA -0.345 62.688 63.100 -0.112 0.000 0.776 667 P CB 0.445 32.113 31.700 -0.053 0.000 0.881 668 L N 2.162 123.296 121.223 -0.149 0.000 2.509 668 L HA 0.212 4.728 4.340 0.293 0.000 0.222 668 L C 0.463 177.273 176.870 -0.100 0.000 1.123 668 L CA 1.681 56.437 54.840 -0.140 0.000 0.856 668 L CB -0.042 41.904 42.059 -0.188 0.000 0.985 668 L HN 0.315 nan 8.230 nan 0.000 0.456 669 T N -1.900 112.599 114.554 -0.091 0.000 2.812 669 T HA 0.277 4.803 4.350 0.293 0.000 0.294 669 T C 0.068 174.733 174.700 -0.058 0.000 1.159 669 T CA -0.473 61.585 62.100 -0.071 0.000 1.008 669 T CB 1.678 70.501 68.868 -0.076 0.000 1.289 669 T HN -0.031 nan 8.240 nan 0.000 0.514 670 N N -0.065 118.607 118.700 -0.047 0.000 2.205 670 N HA 0.324 5.240 4.740 0.293 0.000 0.201 670 N C -0.221 175.265 175.510 -0.039 0.000 1.128 670 N CA -0.002 53.025 53.050 -0.038 0.000 0.867 670 N CB 0.168 38.637 38.487 -0.030 0.000 0.996 670 N HN 0.363 nan 8.380 nan 0.000 0.503 671 L N 0.676 121.872 121.223 -0.046 0.000 2.397 671 L HA 0.207 4.723 4.340 0.293 0.000 0.271 671 L C 1.051 177.890 176.870 -0.052 0.000 1.148 671 L CA -0.576 54.238 54.840 -0.044 0.000 0.825 671 L CB 0.478 42.509 42.059 -0.046 0.000 1.117 671 L HN 0.079 nan 8.230 nan 0.000 0.456 672 N N 1.641 120.314 118.700 -0.044 0.000 2.013 672 N HA -0.186 4.729 4.740 0.293 0.000 0.195 672 N C 1.278 176.750 175.510 -0.065 0.000 1.051 672 N CA 1.576 54.597 53.050 -0.047 0.000 0.851 672 N CB -0.083 38.384 38.487 -0.034 0.000 1.044 672 N HN 0.592 nan 8.380 nan 0.000 0.422 673 E N 0.089 120.253 120.200 -0.060 0.000 2.401 673 E HA -0.073 4.453 4.350 0.293 0.000 0.199 673 E C 0.488 177.025 176.600 -0.105 0.000 1.023 673 E CA -0.043 56.313 56.400 -0.073 0.000 0.859 673 E CB -0.058 29.610 29.700 -0.054 0.000 0.780 673 E HN 0.252 nan 8.360 nan 0.000 0.523 674 C N 0.954 120.190 119.300 -0.105 0.000 2.676 674 C HA 0.119 4.755 4.460 0.293 0.000 0.416 674 C C 1.286 176.164 174.990 -0.187 0.000 1.299 674 C CA -0.136 58.807 59.018 -0.125 0.000 2.048 674 C CB -0.079 27.599 27.740 -0.104 0.000 2.713 674 C HN 0.297 nan 8.230 nan 0.000 0.624 675 R N 2.051 122.429 120.500 -0.204 0.000 2.538 675 R HA 0.168 4.684 4.340 0.293 0.000 0.372 675 R C 0.199 176.425 176.300 -0.123 0.000 0.950 675 R CA -0.172 55.748 56.100 -0.299 0.000 1.168 675 R CB -0.147 29.894 30.300 -0.432 0.000 1.542 675 R HN 0.724 nan 8.270 nan 0.000 0.536 676 K N 1.231 121.547 120.400 -0.140 0.000 2.336 676 K HA 0.061 4.557 4.320 0.293 0.000 0.262 676 K C -0.196 176.268 176.600 -0.227 0.000 0.992 676 K CA 0.542 56.696 56.287 -0.221 0.000 0.927 676 K CB 0.272 32.631 32.500 -0.236 0.000 0.956 676 K HN -0.051 nan 8.250 nan 0.000 0.495 677 Y N -2.900 117.238 120.300 -0.269 0.000 2.644 677 Y HA 0.599 5.325 4.550 0.293 0.000 0.338 677 Y C -0.550 175.098 175.900 -0.420 0.000 1.119 677 Y CA -1.253 56.552 58.100 -0.492 0.000 1.060 677 Y CB 1.741 39.603 38.460 -0.996 0.000 1.294 677 Y HN 0.483 nan 8.280 nan 0.000 0.472 678 T N 0.195 114.571 114.554 -0.296 0.000 2.916 678 T HA 0.380 4.905 4.350 0.293 0.000 0.298 678 T C -2.254 172.359 174.700 -0.146 0.000 1.031 678 T CA -0.482 61.519 62.100 -0.165 0.000 0.993 678 T CB 0.586 69.398 68.868 -0.093 0.000 1.045 678 T HN 0.664 nan 8.240 nan 0.000 0.454 679 W N 4.428 125.786 121.300 0.098 0.000 2.422 679 W HA 0.351 5.186 4.660 0.293 0.000 0.349 679 W C 0.680 177.330 176.519 0.218 0.000 1.062 679 W CA -0.753 56.675 57.345 0.140 0.000 1.497 679 W CB 0.409 29.880 29.460 0.017 0.000 1.407 679 W HN 0.688 nan 8.180 nan 0.000 0.393 680 E N 3.138 123.551 120.200 0.356 0.000 2.167 680 E HA 0.252 4.778 4.350 0.293 0.000 0.284 680 E C -0.449 176.208 176.600 0.094 0.000 1.016 680 E CA -0.751 55.764 56.400 0.190 0.000 0.817 680 E CB 0.840 30.590 29.700 0.085 0.000 1.080 680 E HN 0.230 nan 8.360 nan 0.000 0.397 681 K N 4.864 125.203 120.400 -0.101 0.000 2.383 681 K HA 0.211 4.706 4.320 0.293 0.000 0.286 681 K C 0.186 176.666 176.600 -0.200 0.000 1.051 681 K CA -0.016 56.027 56.287 -0.407 0.000 0.974 681 K CB 0.246 32.501 32.500 -0.407 0.000 0.968 681 K HN 0.572 nan 8.250 nan 0.000 0.475 682 I N 0.000 120.460 120.570 -0.183 0.000 2.984 682 I HA 0.000 4.346 4.170 0.293 0.000 0.288 682 I CA 0.000 61.244 61.300 -0.093 0.000 1.566 682 I CB 0.000 37.978 38.000 -0.037 0.000 1.214 682 I HN 0.000 nan 8.210 nan 0.000 0.494