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 2hu4_1_D DATA FIRST_RESID 83 DATA SEQUENCE VKLAGNSSLc PINGWAVYSK DNSIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPHRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGTSWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTVMT DGPSNGQASY KIFKMEKGKV VKSVELDAPN YHYEEcScYP DATA SEQUENCE NAGEITcVcR DNWHGSNRPW VSFNXQNLEY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS XSGAYGVKGF SFKYGNGVWI GRTKSTNSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XKQDIVAITD WSGYSGSFVL TGLDcIRPcF WVELIRGRPK DATA SEQUENCE EXSTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFTI 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 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.042 176.094 -0.086 0.000 1.182 83 V CA 0.000 62.262 62.300 -0.064 0.000 1.235 83 V CB 0.000 31.802 31.823 -0.035 0.000 1.184 84 K N 2.074 122.447 120.400 -0.045 0.000 2.295 84 K HA 0.503 4.823 4.320 0.000 0.000 0.270 84 K C -0.529 176.063 176.600 -0.014 0.000 1.011 84 K CA -0.316 55.952 56.287 -0.031 0.000 0.953 84 K CB 0.276 32.773 32.500 -0.006 0.000 0.956 84 K HN 0.424 nan 8.250 nan 0.000 0.477 85 L N 2.915 124.139 121.223 0.002 0.000 2.565 85 L HA 0.107 4.447 4.340 0.000 0.000 0.275 85 L C 0.132 177.027 176.870 0.043 0.000 1.137 85 L CA 0.419 55.277 54.840 0.030 0.000 0.915 85 L CB -0.564 41.529 42.059 0.056 0.000 1.232 85 L HN 0.729 nan 8.230 nan 0.000 0.473 86 A N 3.265 126.106 122.820 0.035 0.000 2.462 86 A HA 0.532 4.852 4.320 0.000 0.000 0.243 86 A C 1.007 178.619 177.584 0.047 0.000 1.076 86 A CA 0.281 52.342 52.037 0.038 0.000 0.773 86 A CB 0.182 19.199 19.000 0.028 0.000 1.010 86 A HN 0.849 nan 8.150 nan 0.000 0.493 87 G N 0.390 109.221 108.800 0.052 0.000 4.331 87 G HA2 0.206 4.166 3.960 0.000 0.000 0.299 87 G HA3 0.206 4.166 3.960 0.000 0.000 0.299 87 G C 0.352 175.271 174.900 0.032 0.000 1.158 87 G CA 0.221 45.353 45.100 0.052 0.000 0.916 87 G HN 0.944 nan 8.290 nan 0.000 0.553 88 N N -1.076 117.638 118.700 0.024 0.000 2.336 88 N HA 0.089 4.829 4.740 0.000 0.000 0.189 88 N C 0.930 176.444 175.510 0.006 0.000 1.113 88 N CA -0.243 52.815 53.050 0.012 0.000 0.858 88 N CB 0.464 38.958 38.487 0.013 0.000 0.970 88 N HN 0.129 nan 8.380 nan 0.000 0.471 89 S N -0.096 115.610 115.700 0.010 0.000 2.669 89 S HA 0.367 4.837 4.470 0.000 0.000 0.270 89 S C -0.094 174.504 174.600 -0.002 0.000 1.225 89 S CA -0.571 57.630 58.200 0.003 0.000 0.991 89 S CB 1.257 64.460 63.200 0.004 0.000 0.987 89 S HN 0.231 nan 8.310 nan 0.000 0.552 90 S N 1.223 116.916 115.700 -0.011 0.000 2.690 90 S HA 0.502 4.972 4.470 0.000 0.000 0.291 90 S C -0.486 174.092 174.600 -0.035 0.000 1.138 90 S CA -0.751 57.436 58.200 -0.021 0.000 1.013 90 S CB 0.677 63.867 63.200 -0.018 0.000 1.053 90 S HN 0.656 nan 8.310 nan 0.000 0.539 91 L N 1.694 122.874 121.223 -0.073 0.000 2.499 91 L HA 0.078 4.418 4.340 0.000 0.000 0.273 91 L C 0.099 176.961 176.870 -0.014 0.000 1.195 91 L CA -0.428 54.343 54.840 -0.115 0.000 0.882 91 L CB -0.236 41.633 42.059 -0.318 0.000 1.133 91 L HN 0.683 nan 8.230 nan 0.000 0.483 92 c N 4.649 123.218 118.600 -0.051 0.000 2.679 92 c HA 0.165 4.735 4.570 0.000 0.000 0.417 92 c C -1.481 172.594 174.090 -0.025 0.000 1.302 92 c CA -1.010 55.288 56.329 -0.052 0.000 1.973 92 c CB -0.431 42.010 42.510 -0.115 0.000 2.715 92 c HN 0.543 nan 8.230 nan 0.000 0.628 93 P HA 0.405 nan 4.420 nan 0.000 0.276 93 P C -0.672 176.463 177.300 -0.275 0.000 1.230 93 P CA 0.383 63.393 63.100 -0.151 0.000 0.776 93 P CB 0.585 32.218 31.700 -0.112 0.000 0.888 94 I N -0.520 119.786 120.570 -0.441 0.000 3.239 94 I HA 0.501 4.671 4.170 0.000 0.000 0.314 94 I C 0.074 175.912 176.117 -0.466 0.000 1.126 94 I CA -1.040 59.957 61.300 -0.505 0.000 0.973 94 I CB 2.245 39.778 38.000 -0.779 0.000 1.252 94 I HN 0.034 nan 8.210 nan 0.000 0.463 95 N N 0.554 118.997 118.700 -0.428 0.000 2.419 95 N HA 0.348 5.088 4.740 0.000 0.000 0.216 95 N C 0.268 175.650 175.510 -0.214 0.000 1.118 95 N CA 0.585 53.485 53.050 -0.250 0.000 0.850 95 N CB 1.879 40.272 38.487 -0.158 0.000 1.292 95 N HN 0.921 nan 8.380 nan 0.000 0.467 96 G N -0.504 107.991 108.800 -0.509 0.000 2.650 96 G HA2 0.505 4.465 3.960 0.000 0.000 0.310 96 G HA3 0.505 4.465 3.960 0.000 0.000 0.310 96 G C -2.137 172.229 174.900 -0.891 0.000 1.270 96 G CA -0.661 44.132 45.100 -0.511 0.000 0.810 96 G HN 0.057 nan 8.290 nan 0.000 0.493 97 W N -0.034 121.229 121.300 -0.061 0.000 2.785 97 W HA 0.737 5.397 4.660 0.000 0.000 0.333 97 W C 0.066 176.692 176.519 0.178 0.000 1.062 97 W CA -0.721 56.638 57.345 0.024 0.000 1.233 97 W CB 2.313 31.824 29.460 0.084 0.000 1.413 97 W HN 0.733 nan 8.180 nan 0.000 0.489 98 A N 2.238 125.256 122.820 0.329 0.000 2.317 98 A HA 0.735 5.055 4.320 0.000 0.000 0.327 98 A C -0.354 177.331 177.584 0.167 0.000 1.178 98 A CA -0.848 51.335 52.037 0.244 0.000 0.817 98 A CB 0.448 19.511 19.000 0.106 0.000 1.189 98 A HN 0.651 nan 8.150 nan 0.000 0.489 99 V N 1.603 121.471 119.914 -0.076 0.000 2.557 99 V HA -0.043 4.077 4.120 0.000 0.000 0.301 99 V C 0.739 176.608 176.094 -0.374 0.000 1.026 99 V CA 0.604 62.472 62.300 -0.720 0.000 1.137 99 V CB -0.786 30.540 31.823 -0.828 0.000 0.917 99 V HN 0.952 nan 8.190 nan 0.000 0.484 100 Y N 3.320 123.271 120.300 -0.582 0.000 2.506 100 Y HA 0.297 4.848 4.550 0.000 0.000 0.287 100 Y C 1.313 177.062 175.900 -0.251 0.000 1.147 100 Y CA 0.770 58.704 58.100 -0.275 0.000 1.241 100 Y CB 0.711 39.098 38.460 -0.121 0.000 1.279 100 Y HN 0.903 nan 8.280 nan 0.000 0.527 101 S N -0.359 115.166 115.700 -0.291 0.000 2.615 101 S HA 0.537 5.007 4.470 0.000 0.000 0.269 101 S C -1.482 172.977 174.600 -0.235 0.000 1.161 101 S CA -1.047 56.992 58.200 -0.268 0.000 0.817 101 S CB 2.717 65.804 63.200 -0.189 0.000 1.131 101 S HN 0.137 nan 8.310 nan 0.000 0.467 102 K N 0.498 120.807 120.400 -0.152 0.000 2.587 102 K HA 0.302 4.622 4.320 0.000 0.000 0.256 102 K C -1.271 175.299 176.600 -0.051 0.000 0.974 102 K CA -0.298 55.942 56.287 -0.079 0.000 0.855 102 K CB 1.245 33.718 32.500 -0.045 0.000 1.292 102 K HN 0.774 nan 8.250 nan 0.000 0.444 103 D N 2.367 122.744 120.400 -0.038 0.000 2.360 103 D HA -0.006 4.634 4.640 0.000 0.000 0.210 103 D C -0.159 176.125 176.300 -0.027 0.000 1.047 103 D CA 0.072 54.043 54.000 -0.049 0.000 0.854 103 D CB -0.195 40.556 40.800 -0.081 0.000 0.936 103 D HN 0.730 nan 8.370 nan 0.000 0.514 104 N N -0.084 118.620 118.700 0.008 0.000 2.666 104 N HA -0.294 4.446 4.740 0.000 0.000 0.248 104 N C 0.885 176.402 175.510 0.012 0.000 1.118 104 N CA 0.792 53.860 53.050 0.030 0.000 0.722 104 N CB -1.155 37.353 38.487 0.035 0.000 1.050 104 N HN 0.406 nan 8.380 nan 0.000 0.550 105 S N -0.504 115.184 115.700 -0.021 0.000 2.387 105 S HA -0.210 4.260 4.470 0.000 0.000 0.230 105 S C 1.586 176.175 174.600 -0.020 0.000 1.035 105 S CA 1.320 59.488 58.200 -0.053 0.000 1.014 105 S CB -0.243 62.891 63.200 -0.110 0.000 0.836 105 S HN 0.492 nan 8.310 nan 0.000 0.466 106 I N 1.511 122.097 120.570 0.026 0.000 2.233 106 I HA -0.103 4.067 4.170 0.000 0.000 0.243 106 I C 3.068 179.296 176.117 0.185 0.000 1.093 106 I CA 1.163 62.507 61.300 0.073 0.000 1.380 106 I CB -0.349 37.706 38.000 0.092 0.000 1.067 106 I HN 0.217 nan 8.210 nan 0.000 0.413 107 R N 0.773 121.368 120.500 0.158 0.000 2.105 107 R HA -0.120 4.220 4.340 0.000 0.000 0.239 107 R C 2.266 178.611 176.300 0.075 0.000 1.135 107 R CA 1.371 57.563 56.100 0.154 0.000 0.967 107 R CB -0.282 30.081 30.300 0.104 0.000 0.861 107 R HN 0.373 nan 8.270 nan 0.000 0.442 108 I N -0.565 120.029 120.570 0.039 0.000 2.286 108 I HA -0.106 4.064 4.170 0.000 0.000 0.245 108 I C 2.408 178.509 176.117 -0.026 0.000 1.104 108 I CA 1.228 62.524 61.300 -0.007 0.000 1.397 108 I CB -0.462 37.522 38.000 -0.026 0.000 1.072 108 I HN 0.280 nan 8.210 nan 0.000 0.417 109 G N -0.340 108.455 108.800 -0.008 0.000 2.509 109 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 109 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 109 G C 1.695 176.593 174.900 -0.004 0.000 1.124 109 G CA 0.852 45.932 45.100 -0.034 0.000 0.776 109 G HN 0.358 nan 8.290 nan 0.000 0.547 110 S N -0.228 115.480 115.700 0.014 0.000 2.407 110 S HA -0.162 4.309 4.470 0.000 0.000 0.235 110 S C 2.080 176.542 174.600 -0.230 0.000 1.036 110 S CA 2.270 60.286 58.200 -0.307 0.000 1.013 110 S CB -0.152 62.665 63.200 -0.637 0.000 0.820 110 S HN 0.612 nan 8.310 nan 0.000 0.476 111 K N -0.947 119.370 120.400 -0.139 0.000 2.424 111 K HA 0.259 4.579 4.320 0.000 0.000 0.200 111 K C 1.040 177.593 176.600 -0.079 0.000 1.279 111 K CA 0.501 56.724 56.287 -0.107 0.000 0.918 111 K CB -0.090 32.355 32.500 -0.093 0.000 1.287 111 K HN 0.288 nan 8.250 nan 0.000 0.502 112 G N 1.005 109.759 108.800 -0.076 0.000 2.634 112 G HA2 0.054 4.015 3.960 0.000 0.000 0.255 112 G HA3 0.054 4.015 3.960 0.000 0.000 0.255 112 G C -0.781 174.044 174.900 -0.125 0.000 1.205 112 G CA -0.365 44.688 45.100 -0.078 0.000 0.884 112 G HN 0.274 nan 8.290 nan 0.000 0.549 113 D N 0.655 120.956 120.400 -0.165 0.000 2.563 113 D HA 0.248 4.888 4.640 0.000 0.000 0.222 113 D C 0.089 176.119 176.300 -0.450 0.000 1.145 113 D CA 0.121 53.940 54.000 -0.302 0.000 1.001 113 D CB 0.878 41.471 40.800 -0.346 0.000 1.049 113 D HN -0.014 nan 8.370 nan 0.000 0.515 114 V N 1.699 121.409 119.914 -0.341 0.000 2.472 114 V HA 0.324 4.444 4.120 0.000 0.000 0.290 114 V C 0.542 176.441 176.094 -0.325 0.000 1.037 114 V CA -0.914 61.183 62.300 -0.338 0.000 0.908 114 V CB 1.140 32.841 31.823 -0.204 0.000 0.985 114 V HN 0.221 nan 8.190 nan 0.000 0.454 115 F N 2.493 122.314 119.950 -0.214 0.000 2.506 115 F HA 0.223 4.750 4.527 0.000 0.000 0.351 115 F C 0.609 176.308 175.800 -0.169 0.000 1.136 115 F CA 0.222 58.120 58.000 -0.169 0.000 1.298 115 F CB 1.090 40.004 39.000 -0.143 0.000 1.145 115 F HN 0.354 nan 8.300 nan 0.000 0.593 116 V N 6.671 126.670 119.914 0.142 0.000 2.461 116 V HA 0.583 4.703 4.120 0.000 0.000 0.275 116 V C -0.307 175.831 176.094 0.073 0.000 1.047 116 V CA -0.266 62.059 62.300 0.042 0.000 0.955 116 V CB 0.361 32.207 31.823 0.038 0.000 0.988 116 V HN 0.637 nan 8.190 nan 0.000 0.471 117 I N 4.439 125.026 120.570 0.028 0.000 3.279 117 I HA 0.836 5.006 4.170 0.000 0.000 0.315 117 I C -0.796 175.338 176.117 0.028 0.000 1.187 117 I CA -1.242 60.072 61.300 0.024 0.000 0.953 117 I CB 2.448 40.409 38.000 -0.066 0.000 1.279 117 I HN 0.519 nan 8.210 nan 0.000 0.465 118 R N 0.689 121.209 120.500 0.033 0.000 2.747 118 R HA 0.307 4.647 4.340 0.000 0.000 0.272 118 R C -1.278 175.035 176.300 0.021 0.000 1.032 118 R CA -0.880 55.221 56.100 0.002 0.000 0.896 118 R CB 1.209 31.498 30.300 -0.019 0.000 1.253 118 R HN 0.864 nan 8.270 nan 0.000 0.461 119 E N 0.187 120.371 120.200 -0.026 0.000 2.210 119 E HA -0.160 4.190 4.350 0.000 0.000 0.201 119 E C -2.402 174.273 176.600 0.125 0.000 1.339 119 E CA 0.622 57.077 56.400 0.092 0.000 0.699 119 E CB -1.191 28.601 29.700 0.154 0.000 1.126 119 E HN 0.268 nan 8.360 nan 0.000 0.355 120 P HA 0.559 nan 4.420 nan 0.000 0.281 120 P C -0.442 176.457 177.300 -0.668 0.000 1.264 120 P CA -0.567 62.404 63.100 -0.215 0.000 0.824 120 P CB 0.839 32.420 31.700 -0.198 0.000 1.092 121 F N -1.440 118.058 119.950 -0.754 0.000 2.725 121 F HA 0.585 5.112 4.527 0.000 0.000 0.309 121 F C -1.775 173.713 175.800 -0.521 0.000 1.132 121 F CA -1.241 56.052 58.000 -1.178 0.000 0.957 121 F CB 0.379 39.047 39.000 -0.554 0.000 1.286 121 F HN 0.057 nan 8.300 nan 0.000 0.440 122 I N 1.898 122.283 120.570 -0.308 0.000 2.607 122 I HA 0.701 4.871 4.170 0.000 0.000 0.305 122 I C -0.274 175.941 176.117 0.163 0.000 0.995 122 I CA -0.850 60.310 61.300 -0.233 0.000 1.148 122 I CB 1.965 39.453 38.000 -0.853 0.000 1.323 122 I HN 0.744 nan 8.210 nan 0.000 0.461 123 S N 3.152 119.031 115.700 0.298 0.000 2.535 123 S HA 0.588 5.058 4.470 0.000 0.000 0.272 123 S C -1.308 173.669 174.600 0.628 0.000 1.149 123 S CA -0.486 58.042 58.200 0.546 0.000 0.888 123 S CB 1.140 64.735 63.200 0.659 0.000 1.110 123 S HN 0.677 nan 8.310 nan 0.000 0.463 124 c N 2.727 121.642 118.600 0.525 0.000 2.667 124 c HA 0.930 5.500 4.570 0.000 0.000 0.323 124 c C 0.998 175.166 174.090 0.129 0.000 1.214 124 c CA -0.601 55.956 56.329 0.380 0.000 1.721 124 c CB 1.206 43.890 42.510 0.289 0.000 2.275 124 c HN 1.000 nan 8.230 nan 0.000 0.491 125 S N 0.473 116.113 115.700 -0.101 0.000 2.618 125 S HA 0.347 4.817 4.470 0.000 0.000 0.284 125 S C 0.868 175.387 174.600 -0.135 0.000 1.102 125 S CA -0.093 57.810 58.200 -0.496 0.000 0.984 125 S CB -0.022 62.479 63.200 -1.165 0.000 1.280 125 S HN 0.923 nan 8.310 nan 0.000 0.525 126 H N 0.012 118.902 119.070 -0.300 0.000 2.548 126 H HA 0.392 4.949 4.556 0.000 0.000 0.265 126 H C 1.138 176.415 175.328 -0.085 0.000 0.969 126 H CA 0.384 56.362 56.048 -0.116 0.000 1.155 126 H CB -0.407 29.314 29.762 -0.067 0.000 1.394 126 H HN 0.464 nan 8.280 nan 0.000 0.570 127 L N 0.040 120.985 121.223 -0.464 0.000 2.694 127 L HA 0.245 4.585 4.340 0.000 0.000 0.228 127 L C 0.293 177.082 176.870 -0.136 0.000 1.048 127 L CA 0.144 54.778 54.840 -0.343 0.000 0.887 127 L CB 0.511 42.288 42.059 -0.469 0.000 1.265 127 L HN 0.196 nan 8.230 nan 0.000 0.492 128 E N -1.173 118.979 120.200 -0.081 0.000 2.429 128 E HA 0.497 4.847 4.350 0.000 0.000 0.276 128 E C -1.569 175.109 176.600 0.131 0.000 0.953 128 E CA -0.900 55.519 56.400 0.031 0.000 0.787 128 E CB 2.038 31.756 29.700 0.031 0.000 1.307 128 E HN -0.142 nan 8.360 nan 0.000 0.458 129 c N 0.913 119.603 118.600 0.149 0.000 2.351 129 c HA 0.641 5.211 4.570 0.000 0.000 0.326 129 c C -0.278 173.869 174.090 0.095 0.000 1.272 129 c CA -0.522 55.924 56.329 0.194 0.000 1.650 129 c CB 0.277 42.925 42.510 0.230 0.000 2.257 129 c HN 0.613 nan 8.230 nan 0.000 0.505 130 R N 1.014 121.553 120.500 0.065 0.000 2.854 130 R HA 0.692 5.032 4.340 0.000 0.000 0.271 130 R C -0.896 175.240 176.300 -0.273 0.000 0.996 130 R CA -0.502 55.477 56.100 -0.202 0.000 0.961 130 R CB 1.756 31.745 30.300 -0.518 0.000 1.182 130 R HN 0.616 nan 8.270 nan 0.000 0.479 131 T N 2.210 116.543 114.554 -0.369 0.000 2.756 131 T HA 0.432 4.782 4.350 0.000 0.000 0.290 131 T C -0.721 173.680 174.700 -0.497 0.000 0.985 131 T CA -0.335 61.573 62.100 -0.319 0.000 0.955 131 T CB 0.223 68.990 68.868 -0.168 0.000 0.930 131 T HN 0.170 nan 8.240 nan 0.000 0.451 132 F N 3.375 122.881 119.950 -0.739 0.000 2.408 132 F HA 0.807 5.334 4.527 0.000 0.000 0.325 132 F C 0.024 175.370 175.800 -0.756 0.000 1.082 132 F CA -1.047 56.340 58.000 -1.022 0.000 1.032 132 F CB 1.090 39.183 39.000 -1.511 0.000 1.259 132 F HN 0.602 nan 8.300 nan 0.000 0.503 133 F N -1.285 118.433 119.950 -0.387 0.000 2.799 133 F HA 0.559 5.086 4.527 0.000 0.000 0.316 133 F C -2.294 173.396 175.800 -0.184 0.000 1.155 133 F CA -1.660 56.180 58.000 -0.266 0.000 0.916 133 F CB 0.893 39.742 39.000 -0.251 0.000 1.294 133 F HN 0.173 nan 8.300 nan 0.000 0.447 134 L N 2.921 124.224 121.223 0.133 0.000 2.283 134 L HA 0.472 4.812 4.340 0.000 0.000 0.281 134 L C 0.385 177.315 176.870 0.100 0.000 1.033 134 L CA -0.664 54.214 54.840 0.063 0.000 0.848 134 L CB 1.340 43.452 42.059 0.089 0.000 1.226 134 L HN 0.955 nan 8.230 nan 0.000 0.429 135 T N -0.902 113.676 114.554 0.039 0.000 2.701 135 T HA 0.088 4.438 4.350 0.000 0.000 0.303 135 T C 0.582 175.302 174.700 0.034 0.000 1.030 135 T CA -0.410 61.676 62.100 -0.023 0.000 1.010 135 T CB 1.215 69.873 68.868 -0.350 0.000 1.007 135 T HN 0.467 nan 8.240 nan 0.000 0.532 136 Q N -0.132 119.711 119.800 0.073 0.000 2.157 136 Q HA 0.243 4.583 4.340 0.000 0.000 0.229 136 Q C 1.352 177.424 176.000 0.120 0.000 0.827 136 Q CA 0.421 56.290 55.803 0.110 0.000 1.055 136 Q CB 0.520 29.328 28.738 0.116 0.000 1.157 136 Q HN 1.234 nan 8.270 nan 0.000 0.482 137 G N 1.141 110.002 108.800 0.101 0.000 2.258 137 G HA2 -0.243 3.717 3.960 0.000 0.000 0.274 137 G HA3 -0.243 3.717 3.960 0.000 0.000 0.274 137 G C 0.168 175.129 174.900 0.102 0.000 1.021 137 G CA 0.657 45.824 45.100 0.112 0.000 0.798 137 G HN 0.589 nan 8.290 nan 0.000 0.507 138 A N -1.420 121.505 122.820 0.175 0.000 2.583 138 A HA 0.909 5.229 4.320 0.000 0.000 0.289 138 A C -0.583 177.077 177.584 0.127 0.000 1.151 138 A CA -0.756 51.350 52.037 0.116 0.000 0.695 138 A CB 1.192 20.253 19.000 0.101 0.000 1.290 138 A HN 0.777 nan 8.150 nan 0.000 0.419 139 L N 0.371 121.601 121.223 0.011 0.000 2.333 139 L HA 0.519 4.859 4.340 0.000 0.000 0.269 139 L C -0.479 176.316 176.870 -0.125 0.000 1.010 139 L CA -0.815 53.968 54.840 -0.096 0.000 0.818 139 L CB 1.604 43.559 42.059 -0.174 0.000 1.306 139 L HN 0.643 nan 8.230 nan 0.000 0.430 140 L N 1.991 123.100 121.223 -0.190 0.000 2.483 140 L HA 0.044 4.384 4.340 0.000 0.000 0.276 140 L C 0.859 177.610 176.870 -0.198 0.000 1.213 140 L CA 0.214 54.880 54.840 -0.289 0.000 0.843 140 L CB -0.073 41.815 42.059 -0.284 0.000 1.107 140 L HN 0.759 nan 8.230 nan 0.000 0.487 141 N N 0.457 119.014 118.700 -0.238 0.000 2.741 141 N HA -0.208 4.532 4.740 0.000 0.000 0.251 141 N C -0.676 174.796 175.510 -0.062 0.000 1.112 141 N CA 1.187 54.188 53.050 -0.082 0.000 0.750 141 N CB -0.868 37.617 38.487 -0.004 0.000 1.119 141 N HN 0.819 nan 8.380 nan 0.000 0.561 142 D N -0.585 119.771 120.400 -0.074 0.000 2.433 142 D HA 0.351 4.991 4.640 0.000 0.000 0.236 142 D C 1.310 177.593 176.300 -0.030 0.000 1.026 142 D CA -0.414 53.568 54.000 -0.030 0.000 0.884 142 D CB 0.999 41.803 40.800 0.008 0.000 1.384 142 D HN 0.170 nan 8.370 nan 0.000 0.477 143 K N 1.455 121.812 120.400 -0.072 0.000 2.113 143 K HA -0.231 4.089 4.320 0.000 0.000 0.208 143 K C 1.090 177.618 176.600 -0.121 0.000 1.047 143 K CA 1.213 57.428 56.287 -0.119 0.000 0.928 143 K CB -0.349 32.027 32.500 -0.208 0.000 0.716 143 K HN 0.480 nan 8.250 nan 0.000 0.446 144 H N 0.664 119.730 119.070 -0.006 0.000 2.560 144 H HA -0.022 4.534 4.556 0.000 0.000 0.283 144 H C 1.892 177.227 175.328 0.011 0.000 1.028 144 H CA 1.202 57.245 56.048 -0.008 0.000 1.221 144 H CB 0.149 29.895 29.762 -0.027 0.000 1.363 144 H HN 0.420 nan 8.280 nan 0.000 0.594 145 S N -0.025 115.737 115.700 0.103 0.000 2.522 145 S HA -0.082 4.388 4.470 0.000 0.000 0.227 145 S C 1.272 175.965 174.600 0.155 0.000 0.986 145 S CA -0.041 58.213 58.200 0.091 0.000 0.929 145 S CB -0.171 63.012 63.200 -0.029 0.000 0.769 145 S HN 0.473 nan 8.310 nan 0.000 0.529 146 N N 0.558 119.331 118.700 0.122 0.000 2.453 146 N HA -0.163 4.577 4.740 0.000 0.000 0.207 146 N C 1.158 176.739 175.510 0.118 0.000 1.145 146 N CA 0.961 54.080 53.050 0.115 0.000 0.742 146 N CB -0.546 37.980 38.487 0.065 0.000 0.771 146 N HN 0.411 nan 8.380 nan 0.000 0.316 147 G N -0.246 108.600 108.800 0.077 0.000 3.241 147 G HA2 -0.153 3.807 3.960 0.000 0.000 0.199 147 G HA3 -0.153 3.807 3.960 0.000 0.000 0.199 147 G C 0.742 175.682 174.900 0.067 0.000 1.210 147 G CA 0.932 46.066 45.100 0.057 0.000 1.182 147 G HN 0.672 nan 8.290 nan 0.000 0.508 148 T N -2.305 112.311 114.554 0.104 0.000 3.699 148 T HA 0.072 4.422 4.350 0.000 0.000 0.257 148 T C 1.529 176.272 174.700 0.071 0.000 1.155 148 T CA 0.449 62.613 62.100 0.107 0.000 0.987 148 T CB 0.082 69.043 68.868 0.154 0.000 1.028 148 T HN 0.086 nan 8.240 nan 0.000 0.583 149 V N 0.557 120.492 119.914 0.035 0.000 3.431 149 V HA 0.045 4.165 4.120 0.000 0.000 0.253 149 V C 2.381 178.478 176.094 0.005 0.000 1.184 149 V CA 0.529 62.832 62.300 0.004 0.000 1.104 149 V CB -0.146 31.661 31.823 -0.028 0.000 0.799 149 V HN 0.633 nan 8.190 nan 0.000 0.462 150 K N 0.390 120.795 120.400 0.009 0.000 2.520 150 K HA -0.269 4.051 4.320 0.000 0.000 0.198 150 K C 0.783 177.367 176.600 -0.026 0.000 1.045 150 K CA 1.542 57.824 56.287 -0.008 0.000 0.934 150 K CB -0.357 32.141 32.500 -0.003 0.000 0.766 150 K HN 0.400 nan 8.250 nan 0.000 0.483 151 D N 0.115 120.513 120.400 -0.004 0.000 4.173 151 D HA -0.223 4.417 4.640 0.000 0.000 0.206 151 D C -0.195 176.081 176.300 -0.039 0.000 1.143 151 D CA 2.039 56.033 54.000 -0.010 0.000 2.351 151 D CB -0.612 40.169 40.800 -0.033 0.000 1.180 151 D HN 0.456 nan 8.370 nan 0.000 0.409 152 R N 0.663 121.059 120.500 -0.173 0.000 2.494 152 R HA 0.649 4.989 4.340 0.000 0.000 0.305 152 R C -0.264 175.901 176.300 -0.224 0.000 0.959 152 R CA -0.176 55.709 56.100 -0.359 0.000 0.864 152 R CB 2.350 32.069 30.300 -0.968 0.000 1.159 152 R HN 0.361 nan 8.270 nan 0.000 0.446 153 S N 1.137 116.786 115.700 -0.085 0.000 2.587 153 S HA 0.372 4.842 4.470 0.000 0.000 0.269 153 S C -2.579 172.044 174.600 0.039 0.000 1.154 153 S CA -1.160 57.026 58.200 -0.023 0.000 0.824 153 S CB 2.103 65.334 63.200 0.053 0.000 1.118 153 S HN 0.248 nan 8.310 nan 0.000 0.462 154 P HA 0.095 nan 4.420 nan 0.000 0.221 154 P C 0.489 177.682 177.300 -0.179 0.000 1.150 154 P CA 1.133 64.132 63.100 -0.168 0.000 0.800 154 P CB -0.216 31.287 31.700 -0.329 0.000 0.787 155 H N -2.320 116.806 119.070 0.093 0.000 2.547 155 H HA 0.161 4.717 4.556 0.000 0.000 0.266 155 H C 0.828 176.206 175.328 0.083 0.000 0.988 155 H CA -0.222 55.871 56.048 0.075 0.000 1.147 155 H CB -0.172 29.622 29.762 0.054 0.000 1.365 155 H HN -0.123 nan 8.280 nan 0.000 0.589 156 R N 2.336 122.944 120.500 0.181 0.000 2.370 156 R HA 0.090 4.430 4.340 0.000 0.000 0.309 156 R C -0.304 176.057 176.300 0.101 0.000 1.059 156 R CA 0.170 56.364 56.100 0.157 0.000 0.981 156 R CB 0.136 30.573 30.300 0.228 0.000 0.972 156 R HN 0.312 nan 8.270 nan 0.000 0.437 157 T N 1.418 115.993 114.554 0.034 0.000 2.900 157 T HA 0.456 4.806 4.350 0.000 0.000 0.295 157 T C -0.973 173.613 174.700 -0.190 0.000 1.044 157 T CA -1.037 61.042 62.100 -0.034 0.000 0.995 157 T CB 1.335 70.251 68.868 0.082 0.000 1.072 157 T HN 0.316 nan 8.240 nan 0.000 0.473 158 L N 3.202 124.236 121.223 -0.316 0.000 2.265 158 L HA 0.712 5.052 4.340 0.000 0.000 0.288 158 L C -0.637 175.841 176.870 -0.653 0.000 1.058 158 L CA -0.162 54.432 54.840 -0.410 0.000 0.809 158 L CB 0.082 41.956 42.059 -0.309 0.000 1.179 158 L HN 0.855 nan 8.230 nan 0.000 0.429 159 M N 3.135 122.223 119.600 -0.853 0.000 2.745 159 M HA 0.698 5.178 4.480 0.000 0.000 0.290 159 M C -0.571 174.876 176.300 -1.422 0.000 1.262 159 M CA -0.702 54.005 55.300 -0.987 0.000 0.795 159 M CB 2.511 34.644 32.600 -0.778 0.000 1.758 159 M HN 0.653 nan 8.290 nan 0.000 0.461 160 S N -0.016 115.027 115.700 -1.094 0.000 2.565 160 S HA 0.878 5.348 4.470 0.000 0.000 0.269 160 S C -1.141 173.180 174.600 -0.465 0.000 1.153 160 S CA -0.849 56.725 58.200 -1.043 0.000 0.835 160 S CB 1.623 63.883 63.200 -1.567 0.000 1.122 160 S HN 1.191 nan 8.310 nan 0.000 0.462 161 C N -0.943 118.184 119.300 -0.290 0.000 3.311 161 C HA 0.856 5.316 4.460 0.000 0.000 0.325 161 C C -3.045 171.837 174.990 -0.179 0.000 1.352 161 C CA -1.765 57.168 59.018 -0.141 0.000 1.308 161 C CB 1.020 28.776 27.740 0.026 0.000 1.619 161 C HN 0.795 nan 8.230 nan 0.000 0.469 162 P HA 0.200 nan 4.420 nan 0.000 0.267 162 P C 0.379 177.618 177.300 -0.101 0.000 1.200 162 P CA 0.684 63.720 63.100 -0.107 0.000 0.772 162 P CB 0.342 31.999 31.700 -0.072 0.000 0.855 163 V N -0.948 118.914 119.914 -0.086 0.000 2.788 163 V HA 0.341 4.461 4.120 0.000 0.000 0.307 163 V C 1.627 177.659 176.094 -0.103 0.000 1.069 163 V CA 0.618 62.867 62.300 -0.086 0.000 1.173 163 V CB -0.862 30.947 31.823 -0.022 0.000 0.925 163 V HN 1.027 nan 8.190 nan 0.000 0.492 164 G N 2.385 111.121 108.800 -0.107 0.000 2.253 164 G HA2 -0.226 3.734 3.960 0.000 0.000 0.251 164 G HA3 -0.226 3.734 3.960 0.000 0.000 0.251 164 G C 0.055 174.900 174.900 -0.092 0.000 0.998 164 G CA 0.404 45.438 45.100 -0.110 0.000 0.621 164 G HN 0.928 nan 8.290 nan 0.000 0.524 165 E N 0.802 120.948 120.200 -0.090 0.000 2.266 165 E HA 0.595 4.945 4.350 0.000 0.000 0.277 165 E C 0.541 177.081 176.600 -0.101 0.000 1.018 165 E CA -0.096 56.256 56.400 -0.080 0.000 0.840 165 E CB 1.356 31.016 29.700 -0.066 0.000 1.082 165 E HN 0.617 nan 8.360 nan 0.000 0.395 166 A N 4.706 127.466 122.820 -0.099 0.000 2.454 166 A HA 0.207 4.527 4.320 0.000 0.000 0.260 166 A C -2.059 175.428 177.584 -0.163 0.000 1.106 166 A CA -1.285 50.672 52.037 -0.135 0.000 0.780 166 A CB -0.258 18.675 19.000 -0.112 0.000 1.044 166 A HN 0.350 nan 8.150 nan 0.000 0.498 167 P HA 0.047 nan 4.420 nan 0.000 0.265 167 P C 0.084 177.318 177.300 -0.109 0.000 1.222 167 P CA 0.653 63.591 63.100 -0.270 0.000 0.767 167 P CB 1.244 32.332 31.700 -1.020 0.000 0.801 168 S N 3.500 119.171 115.700 -0.048 0.000 4.297 168 S HA 0.181 4.651 4.470 0.000 0.000 0.226 168 S C 0.815 175.230 174.600 -0.309 0.000 1.134 168 S CA -0.177 57.795 58.200 -0.380 0.000 1.591 168 S CB -0.681 62.288 63.200 -0.385 0.000 1.393 168 S HN 0.398 nan 8.310 nan 0.000 0.727 169 Y N 2.394 122.666 120.300 -0.046 0.000 4.832 169 Y HA -0.291 4.259 4.550 0.000 0.000 0.207 169 Y C 1.290 177.187 175.900 -0.005 0.000 0.973 169 Y CA 1.219 59.303 58.100 -0.026 0.000 1.814 169 Y CB -1.435 36.992 38.460 -0.053 0.000 1.586 169 Y HN 0.751 nan 8.280 nan 0.000 0.541 170 N N -1.431 117.334 118.700 0.109 0.000 2.167 170 N HA 0.084 4.824 4.740 0.000 0.000 0.234 170 N C -0.809 174.742 175.510 0.068 0.000 1.312 170 N CA 0.160 53.252 53.050 0.071 0.000 0.861 170 N CB 0.378 38.887 38.487 0.036 0.000 1.217 170 N HN 0.017 nan 8.380 nan 0.000 0.504 171 S N 0.860 116.634 115.700 0.124 0.000 2.475 171 S HA 0.367 4.837 4.470 0.000 0.000 0.298 171 S C -0.330 174.299 174.600 0.048 0.000 1.119 171 S CA -0.794 57.481 58.200 0.124 0.000 1.085 171 S CB 2.240 65.638 63.200 0.329 0.000 1.028 171 S HN 0.310 nan 8.310 nan 0.000 0.489 172 R N 2.322 122.775 120.500 -0.078 0.000 2.297 172 R HA 0.306 4.646 4.340 0.000 0.000 0.308 172 R C -0.942 175.286 176.300 -0.120 0.000 1.029 172 R CA -0.470 55.579 56.100 -0.085 0.000 0.929 172 R CB 0.388 30.587 30.300 -0.168 0.000 1.046 172 R HN 0.571 nan 8.270 nan 0.000 0.461 173 F N 4.069 123.941 119.950 -0.131 0.000 2.456 173 F HA 0.123 4.650 4.527 0.000 0.000 0.358 173 F C 0.544 176.252 175.800 -0.153 0.000 1.095 173 F CA 0.241 58.154 58.000 -0.145 0.000 1.216 173 F CB 1.058 40.007 39.000 -0.085 0.000 1.125 173 F HN 0.679 nan 8.300 nan 0.000 0.549 174 E N 2.368 121.906 120.200 -1.104 0.000 2.279 174 E HA 0.164 4.514 4.350 0.000 0.000 0.199 174 E C -0.147 175.971 176.600 -0.804 0.000 0.893 174 E CA 0.283 56.257 56.400 -0.709 0.000 0.978 174 E CB 0.672 30.091 29.700 -0.468 0.000 0.964 174 E HN 0.474 nan 8.360 nan 0.000 0.486 175 S N -0.449 114.561 115.700 -1.149 0.000 2.597 175 S HA 0.277 4.747 4.470 0.000 0.000 0.274 175 S C -1.567 172.835 174.600 -0.331 0.000 1.132 175 S CA -0.614 57.263 58.200 -0.538 0.000 0.835 175 S CB 1.475 64.515 63.200 -0.267 0.000 1.092 175 S HN -0.085 nan 8.310 nan 0.000 0.457 176 V N 2.628 122.551 119.914 0.015 0.000 2.408 176 V HA 0.777 4.898 4.120 0.000 0.000 0.267 176 V C 0.484 176.523 176.094 -0.091 0.000 1.047 176 V CA 0.670 63.003 62.300 0.055 0.000 0.937 176 V CB 0.043 31.931 31.823 0.108 0.000 0.999 176 V HN 1.057 nan 8.190 nan 0.000 0.472 177 A N 5.345 128.100 122.820 -0.108 0.000 2.608 177 A HA 0.702 5.022 4.320 0.000 0.000 0.292 177 A C -0.490 177.055 177.584 -0.066 0.000 1.066 177 A CA -0.671 51.229 52.037 -0.227 0.000 0.676 177 A CB 1.250 20.105 19.000 -0.241 0.000 1.277 177 A HN 0.945 nan 8.150 nan 0.000 0.413 178 W N 0.455 121.753 121.300 -0.002 0.000 2.684 178 W HA 0.588 5.248 4.660 0.000 0.000 0.381 178 W C -0.100 176.437 176.519 0.029 0.000 0.975 178 W CA 0.253 57.605 57.345 0.012 0.000 1.789 178 W CB 0.266 29.732 29.460 0.011 0.000 1.161 178 W HN 0.921 nan 8.180 nan 0.000 0.564 179 S N 0.784 116.523 115.700 0.065 0.000 2.570 179 S HA 0.635 5.105 4.470 0.000 0.000 0.286 179 S C -1.025 173.539 174.600 -0.059 0.000 1.143 179 S CA 0.127 58.373 58.200 0.077 0.000 0.921 179 S CB 0.881 64.153 63.200 0.119 0.000 1.108 179 S HN 0.402 nan 8.310 nan 0.000 0.456 180 A N 2.426 125.259 122.820 0.023 0.000 2.533 180 A HA 0.999 5.319 4.320 0.000 0.000 0.293 180 A C -0.502 177.072 177.584 -0.018 0.000 1.228 180 A CA -0.380 51.651 52.037 -0.009 0.000 0.689 180 A CB 1.320 20.329 19.000 0.015 0.000 1.303 180 A HN 1.504 nan 8.150 nan 0.000 0.444 181 S N -1.974 113.701 115.700 -0.042 0.000 2.587 181 S HA 0.827 5.298 4.470 0.000 0.000 0.269 181 S C -1.397 173.153 174.600 -0.083 0.000 1.154 181 S CA 0.419 58.526 58.200 -0.155 0.000 0.824 181 S CB 1.388 64.511 63.200 -0.129 0.000 1.118 181 S HN 2.619 nan 8.310 nan 0.000 0.462 182 A N 0.795 123.545 122.820 -0.117 0.000 2.590 182 A HA 0.793 5.113 4.320 0.000 0.000 0.294 182 A C -0.785 176.831 177.584 0.053 0.000 1.046 182 A CA -0.160 51.793 52.037 -0.140 0.000 0.684 182 A CB 0.292 18.871 19.000 -0.701 0.000 1.279 182 A HN 2.319 nan 8.150 nan 0.000 0.415 183 c N -0.498 118.265 118.600 0.272 0.000 3.292 183 c HA 0.829 5.400 4.570 0.000 0.000 0.338 183 c C -0.862 173.453 174.090 0.375 0.000 1.323 183 c CA -0.778 55.794 56.329 0.404 0.000 1.232 183 c CB 0.568 43.225 42.510 0.245 0.000 1.517 183 c HN 1.407 nan 8.230 nan 0.000 0.470 184 H N 0.750 119.799 119.070 -0.036 0.000 2.481 184 H HA 0.529 5.085 4.556 0.000 0.000 0.333 184 H C 0.518 175.756 175.328 -0.150 0.000 1.066 184 H CA 0.200 56.014 56.048 -0.390 0.000 1.209 184 H CB 1.375 30.466 29.762 -1.119 0.000 1.445 184 H HN 0.835 nan 8.280 nan 0.000 0.488 185 D N 2.775 123.015 120.400 -0.267 0.000 2.328 185 D HA 0.124 4.764 4.640 0.000 0.000 0.226 185 D C 1.495 177.759 176.300 -0.060 0.000 1.066 185 D CA 0.617 54.573 54.000 -0.074 0.000 0.861 185 D CB 0.181 40.976 40.800 -0.008 0.000 0.912 185 D HN 0.852 nan 8.370 nan 0.000 0.521 186 G N -1.005 107.794 108.800 -0.002 0.000 2.284 186 G HA2 -0.311 3.649 3.960 0.000 0.000 0.216 186 G HA3 -0.311 3.649 3.960 0.000 0.000 0.216 186 G C 1.221 176.005 174.900 -0.193 0.000 1.009 186 G CA 0.423 45.490 45.100 -0.055 0.000 0.625 186 G HN 0.396 nan 8.290 nan 0.000 0.501 187 T N 0.010 114.438 114.554 -0.210 0.000 3.111 187 T HA 0.488 4.839 4.350 0.000 0.000 0.236 187 T C 1.124 175.659 174.700 -0.276 0.000 0.984 187 T CA 1.742 63.745 62.100 -0.162 0.000 1.195 187 T CB 0.179 69.011 68.868 -0.061 0.000 0.929 187 T HN 1.456 nan 8.240 nan 0.000 0.431 188 S N -1.024 114.258 115.700 -0.696 0.000 2.685 188 S HA 0.614 5.084 4.470 0.000 0.000 0.282 188 S C -1.966 172.032 174.600 -1.002 0.000 1.159 188 S CA -1.200 56.520 58.200 -0.800 0.000 0.833 188 S CB 1.017 63.638 63.200 -0.965 0.000 1.151 188 S HN 0.420 nan 8.310 nan 0.000 0.485 189 W N 0.815 121.871 121.300 -0.406 0.000 2.315 189 W HA 0.577 5.237 4.660 0.000 0.000 0.316 189 W C -0.329 176.120 176.519 -0.117 0.000 1.211 189 W CA -0.486 56.795 57.345 -0.106 0.000 1.201 189 W CB 1.279 30.819 29.460 0.132 0.000 1.184 189 W HN 0.593 nan 8.180 nan 0.000 0.544 190 L N 5.090 126.508 121.223 0.325 0.000 2.287 190 L HA 0.612 4.952 4.340 0.000 0.000 0.287 190 L C 0.068 177.041 176.870 0.171 0.000 1.022 190 L CA -0.159 54.834 54.840 0.255 0.000 0.814 190 L CB 0.916 43.111 42.059 0.226 0.000 1.217 190 L HN 0.376 nan 8.230 nan 0.000 0.420 191 T N 3.002 117.612 114.554 0.093 0.000 2.856 191 T HA 0.762 5.113 4.350 0.000 0.000 0.283 191 T C -0.302 174.374 174.700 -0.038 0.000 1.008 191 T CA -0.558 61.539 62.100 -0.006 0.000 0.997 191 T CB 1.266 70.110 68.868 -0.040 0.000 0.992 191 T HN 0.479 nan 8.240 nan 0.000 0.454 192 I N 1.850 122.375 120.570 -0.075 0.000 2.439 192 I HA 0.590 4.760 4.170 0.000 0.000 0.285 192 I C 0.299 176.339 176.117 -0.129 0.000 1.021 192 I CA -0.870 60.369 61.300 -0.102 0.000 1.091 192 I CB 1.975 39.910 38.000 -0.108 0.000 1.242 192 I HN 0.981 nan 8.210 nan 0.000 0.439 193 G N 7.316 116.022 108.800 -0.157 0.000 2.644 193 G HA2 0.713 4.673 3.960 0.000 0.000 0.300 193 G HA3 0.713 4.673 3.960 0.000 0.000 0.300 193 G C -0.796 173.939 174.900 -0.276 0.000 1.395 193 G CA -0.385 44.593 45.100 -0.202 0.000 0.964 193 G HN 0.463 nan 8.290 nan 0.000 0.511 194 I N 2.029 122.353 120.570 -0.410 0.000 2.331 194 I HA 0.507 4.677 4.170 0.000 0.000 0.292 194 I C 0.443 175.946 176.117 -1.025 0.000 0.998 194 I CA -0.223 60.705 61.300 -0.620 0.000 1.267 194 I CB 1.746 39.327 38.000 -0.700 0.000 1.386 194 I HN 0.461 nan 8.210 nan 0.000 0.476 195 S N 3.580 118.846 115.700 -0.723 0.000 2.794 195 S HA 0.961 5.431 4.470 0.000 0.000 0.299 195 S C -0.361 174.194 174.600 -0.075 0.000 1.179 195 S CA 0.196 58.061 58.200 -0.558 0.000 0.838 195 S CB 1.790 64.854 63.200 -0.228 0.000 1.206 195 S HN 1.159 nan 8.310 nan 0.000 0.523 196 G N 1.306 110.244 108.800 0.231 0.000 2.566 196 G HA2 0.027 3.987 3.960 0.000 0.000 0.599 196 G HA3 0.027 3.987 3.960 0.000 0.000 0.599 196 G C -3.287 171.814 174.900 0.336 0.000 1.292 196 G CA -0.378 44.853 45.100 0.218 0.000 0.922 196 G HN 0.707 nan 8.290 nan 0.000 0.514 197 P HA 0.342 nan 4.420 nan 0.000 0.276 197 P C 0.015 177.386 177.300 0.119 0.000 1.252 197 P CA -0.115 63.048 63.100 0.105 0.000 0.802 197 P CB 0.794 32.523 31.700 0.047 0.000 1.035 198 D N 0.838 121.240 120.400 0.004 0.000 2.149 198 D HA -0.163 4.477 4.640 0.000 0.000 0.198 198 D C 1.320 177.627 176.300 0.011 0.000 0.990 198 D CA 1.612 55.599 54.000 -0.021 0.000 0.839 198 D CB -0.709 40.029 40.800 -0.103 0.000 0.948 198 D HN 0.534 nan 8.370 nan 0.000 0.460 199 N N -0.285 118.416 118.700 0.001 0.000 2.461 199 N HA 0.060 4.800 4.740 0.000 0.000 0.188 199 N C 0.873 176.386 175.510 0.006 0.000 1.134 199 N CA 0.595 53.641 53.050 -0.007 0.000 0.878 199 N CB 0.267 38.746 38.487 -0.012 0.000 0.972 199 N HN 0.105 nan 8.380 nan 0.000 0.456 200 G N -1.410 107.410 108.800 0.034 0.000 5.602 200 G HA2 0.500 4.460 3.960 0.000 0.000 0.197 200 G HA3 0.500 4.460 3.960 0.000 0.000 0.197 200 G C -0.256 174.677 174.900 0.056 0.000 0.705 200 G CA -0.064 45.057 45.100 0.034 0.000 0.662 200 G HN 0.488 nan 8.290 nan 0.000 0.365 201 A N 0.008 122.884 122.820 0.094 0.000 2.520 201 A HA 0.584 4.904 4.320 0.000 0.000 0.235 201 A C 0.196 177.771 177.584 -0.015 0.000 1.065 201 A CA 0.247 52.340 52.037 0.092 0.000 0.764 201 A CB 1.189 20.301 19.000 0.187 0.000 1.002 201 A HN 1.406 nan 8.150 nan 0.000 0.502 202 V N 1.629 121.499 119.914 -0.073 0.000 2.577 202 V HA 0.693 4.813 4.120 0.000 0.000 0.303 202 V C 0.141 176.145 176.094 -0.149 0.000 1.042 202 V CA -0.072 62.180 62.300 -0.080 0.000 0.872 202 V CB 1.399 33.196 31.823 -0.044 0.000 0.998 202 V HN 1.621 nan 8.190 nan 0.000 0.423 203 A N 6.104 128.840 122.820 -0.140 0.000 2.309 203 A HA 0.687 5.008 4.320 0.000 0.000 0.290 203 A C -0.372 177.129 177.584 -0.137 0.000 1.206 203 A CA -0.326 51.606 52.037 -0.175 0.000 0.850 203 A CB 0.800 19.683 19.000 -0.195 0.000 1.118 203 A HN 1.198 nan 8.150 nan 0.000 0.523 204 V N 5.484 125.318 119.914 -0.134 0.000 2.304 204 V HA 0.206 4.326 4.120 0.000 0.000 0.269 204 V C 0.025 176.069 176.094 -0.083 0.000 1.036 204 V CA -0.170 62.075 62.300 -0.091 0.000 0.840 204 V CB 0.481 32.260 31.823 -0.074 0.000 1.036 204 V HN 0.727 nan 8.190 nan 0.000 0.466 205 L N 5.219 126.400 121.223 -0.071 0.000 2.326 205 L HA 0.566 4.906 4.340 0.000 0.000 0.278 205 L C 0.136 177.005 176.870 -0.002 0.000 1.092 205 L CA -0.321 54.489 54.840 -0.049 0.000 0.810 205 L CB 0.765 42.786 42.059 -0.063 0.000 1.153 205 L HN 0.509 nan 8.230 nan 0.000 0.439 206 K N 2.781 123.200 120.400 0.032 0.000 2.371 206 K HA 0.438 4.758 4.320 0.000 0.000 0.251 206 K C -1.664 175.038 176.600 0.170 0.000 0.934 206 K CA -0.719 55.614 56.287 0.078 0.000 0.798 206 K CB 2.782 35.310 32.500 0.046 0.000 1.204 206 K HN 0.391 nan 8.250 nan 0.000 0.427 207 Y N 3.131 123.443 120.300 0.020 0.000 2.326 207 Y HA 0.131 4.681 4.550 0.000 0.000 0.329 207 Y C 0.290 176.221 175.900 0.051 0.000 0.973 207 Y CA -0.337 57.780 58.100 0.029 0.000 1.162 207 Y CB 0.884 39.342 38.460 -0.004 0.000 1.147 207 Y HN 0.806 nan 8.280 nan 0.000 0.456 208 N N 3.988 122.593 118.700 -0.158 0.000 2.741 208 N HA -0.211 4.529 4.740 0.000 0.000 0.250 208 N C 0.673 176.200 175.510 0.027 0.000 1.115 208 N CA 1.793 54.793 53.050 -0.084 0.000 0.724 208 N CB -1.180 37.224 38.487 -0.137 0.000 1.090 208 N HN 1.417 nan 8.380 nan 0.000 0.558 209 G N -0.814 108.018 108.800 0.054 0.000 2.234 209 G HA2 -0.280 3.680 3.960 0.000 0.000 0.235 209 G HA3 -0.280 3.680 3.960 0.000 0.000 0.235 209 G C 0.239 175.179 174.900 0.067 0.000 0.997 209 G CA 0.396 45.532 45.100 0.060 0.000 0.623 209 G HN 0.913 nan 8.290 nan 0.000 0.514 210 I N -0.381 120.233 120.570 0.073 0.000 2.412 210 I HA 0.680 4.850 4.170 0.000 0.000 0.296 210 I C 0.675 176.836 176.117 0.073 0.000 0.987 210 I CA -1.369 59.973 61.300 0.069 0.000 1.180 210 I CB 1.282 39.322 38.000 0.067 0.000 1.340 210 I HN 0.009 nan 8.210 nan 0.000 0.455 211 I N 5.616 126.217 120.570 0.051 0.000 2.741 211 I HA -0.079 4.091 4.170 0.000 0.000 0.288 211 I C 1.356 177.492 176.117 0.033 0.000 1.192 211 I CA 0.684 62.005 61.300 0.036 0.000 1.426 211 I CB 0.967 38.980 38.000 0.021 0.000 1.367 211 I HN 0.856 nan 8.210 nan 0.000 0.563 212 T N -0.294 114.275 114.554 0.024 0.000 2.958 212 T HA 0.260 4.610 4.350 0.000 0.000 0.256 212 T C 0.091 174.778 174.700 -0.022 0.000 0.983 212 T CA -0.277 61.825 62.100 0.004 0.000 0.924 212 T CB 0.523 69.391 68.868 0.001 0.000 1.136 212 T HN 0.565 nan 8.240 nan 0.000 0.506 213 D N -0.627 119.758 120.400 -0.025 0.000 2.710 213 D HA 0.509 5.149 4.640 0.000 0.000 0.276 213 D C -1.690 174.585 176.300 -0.043 0.000 1.267 213 D CA -0.097 53.881 54.000 -0.037 0.000 0.772 213 D CB 1.998 42.767 40.800 -0.052 0.000 1.299 213 D HN 0.008 nan 8.370 nan 0.000 0.421 214 T N 0.784 115.313 114.554 -0.041 0.000 2.916 214 T HA 0.695 5.045 4.350 0.000 0.000 0.305 214 T C -0.796 173.880 174.700 -0.040 0.000 1.119 214 T CA -0.409 61.664 62.100 -0.045 0.000 1.008 214 T CB 1.004 69.857 68.868 -0.025 0.000 1.129 214 T HN 0.246 nan 8.240 nan 0.000 0.480 215 I N 3.183 123.723 120.570 -0.051 0.000 2.500 215 I HA 0.353 4.523 4.170 0.000 0.000 0.286 215 I C -0.143 175.992 176.117 0.031 0.000 1.063 215 I CA -1.005 60.289 61.300 -0.010 0.000 1.062 215 I CB 1.890 39.825 38.000 -0.108 0.000 1.223 215 I HN 0.499 nan 8.210 nan 0.000 0.435 216 K N 3.443 123.896 120.400 0.088 0.000 2.098 216 K HA 0.511 4.831 4.320 0.000 0.000 0.261 216 K C 0.078 176.769 176.600 0.152 0.000 0.987 216 K CA -0.626 55.712 56.287 0.083 0.000 0.916 216 K CB 1.702 34.244 32.500 0.071 0.000 1.039 216 K HN 0.397 nan 8.250 nan 0.000 0.455 217 S N 1.271 116.999 115.700 0.048 0.000 2.546 217 S HA -0.019 4.451 4.470 0.000 0.000 0.290 217 S C 0.259 174.883 174.600 0.041 0.000 1.290 217 S CA -0.513 57.646 58.200 -0.069 0.000 1.069 217 S CB -0.075 63.056 63.200 -0.116 0.000 0.846 217 S HN 0.800 nan 8.310 nan 0.000 0.495 218 W N 5.253 126.571 121.300 0.030 0.000 3.114 218 W HA 0.490 5.150 4.660 0.000 0.000 0.279 218 W C 1.193 177.712 176.519 -0.001 0.000 1.277 218 W CA -0.490 56.864 57.345 0.015 0.000 1.630 218 W CB 0.171 29.639 29.460 0.015 0.000 1.087 218 W HN 0.460 nan 8.180 nan 0.000 0.637 219 R N 1.116 121.406 120.500 -0.351 0.000 2.535 219 R HA 0.075 4.415 4.340 0.000 0.000 0.323 219 R C 0.068 176.270 176.300 -0.164 0.000 0.979 219 R CA -0.069 55.901 56.100 -0.216 0.000 1.120 219 R CB -0.898 29.215 30.300 -0.311 0.000 1.306 219 R HN 0.116 nan 8.270 nan 0.000 0.540 220 N N 1.790 120.400 118.700 -0.150 0.000 2.710 220 N HA -0.236 4.504 4.740 0.000 0.000 0.249 220 N C -0.545 174.911 175.510 -0.090 0.000 1.059 220 N CA 0.991 53.987 53.050 -0.089 0.000 0.720 220 N CB -1.193 37.268 38.487 -0.044 0.000 0.983 220 N HN 0.243 nan 8.380 nan 0.000 0.544 221 N N 0.612 119.234 118.700 -0.130 0.000 2.726 221 N HA 0.295 5.035 4.740 0.000 0.000 0.253 221 N C -0.581 174.880 175.510 -0.081 0.000 1.530 221 N CA -0.400 52.593 53.050 -0.096 0.000 0.772 221 N CB -0.156 38.271 38.487 -0.101 0.000 1.220 221 N HN 0.271 nan 8.380 nan 0.000 0.508 222 I N 0.684 121.238 120.570 -0.027 0.000 7.533 222 I HA -0.312 3.859 4.170 0.000 0.000 0.126 222 I C -0.372 175.796 176.117 0.085 0.000 1.830 222 I CA -0.005 61.336 61.300 0.068 0.000 2.068 222 I CB -0.647 37.361 38.000 0.014 0.000 3.648 222 I HN 0.326 nan 8.210 nan 0.000 0.179 223 L N 7.419 128.678 121.223 0.060 0.000 2.513 223 L HA 0.331 4.671 4.340 0.000 0.000 0.272 223 L C 0.852 177.763 176.870 0.069 0.000 1.187 223 L CA 0.718 55.514 54.840 -0.073 0.000 0.895 223 L CB 0.240 42.216 42.059 -0.138 0.000 1.147 223 L HN 0.516 nan 8.230 nan 0.000 0.483 224 R N 2.519 123.053 120.500 0.056 0.000 2.855 224 R HA 0.808 5.148 4.340 0.000 0.000 0.266 224 R C -0.718 175.633 176.300 0.085 0.000 1.034 224 R CA -0.889 55.283 56.100 0.120 0.000 0.944 224 R CB 1.545 31.966 30.300 0.202 0.000 1.219 224 R HN 0.536 nan 8.270 nan 0.000 0.474 225 T N -1.455 113.149 114.554 0.083 0.000 2.591 225 T HA 0.145 4.495 4.350 0.000 0.000 0.274 225 T C 0.635 175.384 174.700 0.082 0.000 0.945 225 T CA -0.433 61.710 62.100 0.071 0.000 1.087 225 T CB 1.455 70.326 68.868 0.004 0.000 1.416 225 T HN 0.662 nan 8.240 nan 0.000 0.514 226 Q N 0.170 119.995 119.800 0.042 0.000 2.045 226 Q HA -0.115 4.225 4.340 0.000 0.000 0.206 226 Q C -0.126 175.897 176.000 0.039 0.000 0.991 226 Q CA 1.829 57.648 55.803 0.026 0.000 0.851 226 Q CB -0.031 28.681 28.738 -0.042 0.000 0.911 226 Q HN 0.616 nan 8.270 nan 0.000 0.418 227 E N -0.549 119.635 120.200 -0.027 0.000 2.957 227 E HA -0.145 4.205 4.350 0.000 0.000 0.287 227 E C -0.608 175.912 176.600 -0.133 0.000 0.976 227 E CA 1.095 57.541 56.400 0.077 0.000 0.907 227 E CB -2.079 27.823 29.700 0.337 0.000 1.456 227 E HN 0.457 nan 8.360 nan 0.000 0.421 228 S N -1.554 113.733 115.700 -0.689 0.000 2.611 228 S HA 0.441 4.911 4.470 0.000 0.000 0.268 228 S C -0.230 173.792 174.600 -0.963 0.000 1.156 228 S CA -0.547 57.133 58.200 -0.867 0.000 0.817 228 S CB 2.132 65.411 63.200 0.133 0.000 1.122 228 S HN 0.242 nan 8.310 nan 0.000 0.466 229 E N 0.117 120.047 120.200 -0.449 0.000 2.438 229 E HA 0.332 4.682 4.350 0.000 0.000 0.261 229 E C 0.381 176.996 176.600 0.024 0.000 1.103 229 E CA -0.563 55.797 56.400 -0.066 0.000 0.959 229 E CB 0.013 29.883 29.700 0.284 0.000 0.958 229 E HN 0.826 nan 8.360 nan 0.000 0.447 230 c N 0.978 119.626 118.600 0.080 0.000 2.365 230 c HA 0.881 5.452 4.570 0.000 0.000 0.374 230 c C 0.321 174.532 174.090 0.202 0.000 1.318 230 c CA -0.503 55.906 56.329 0.134 0.000 2.239 230 c CB 0.286 42.871 42.510 0.124 0.000 2.144 230 c HN 0.821 nan 8.230 nan 0.000 0.581 231 A N -0.492 122.474 122.820 0.242 0.000 2.331 231 A HA 0.707 5.027 4.320 0.000 0.000 0.320 231 A C -0.627 177.152 177.584 0.325 0.000 1.138 231 A CA -0.293 51.895 52.037 0.251 0.000 0.790 231 A CB 0.352 19.461 19.000 0.181 0.000 1.206 231 A HN 1.047 nan 8.150 nan 0.000 0.470 232 c N 1.493 120.248 118.600 0.259 0.000 2.456 232 c HA 0.847 5.417 4.570 0.000 0.000 0.325 232 c C -0.029 174.204 174.090 0.238 0.000 1.217 232 c CA -0.527 55.959 56.329 0.262 0.000 1.687 232 c CB 0.906 43.509 42.510 0.155 0.000 2.270 232 c HN 0.679 nan 8.230 nan 0.000 0.499 233 V N 2.113 122.203 119.914 0.293 0.000 2.888 233 V HA 0.459 4.579 4.120 0.000 0.000 0.309 233 V C 0.041 176.246 176.094 0.184 0.000 1.114 233 V CA -0.597 61.829 62.300 0.210 0.000 0.940 233 V CB 1.888 33.823 31.823 0.186 0.000 1.021 233 V HN 0.948 nan 8.190 nan 0.000 0.426 234 N N 2.756 121.523 118.700 0.112 0.000 2.702 234 N HA -0.214 4.526 4.740 0.000 0.000 0.261 234 N C 1.097 176.646 175.510 0.066 0.000 0.965 234 N CA 2.025 55.123 53.050 0.080 0.000 0.795 234 N CB -0.874 37.662 38.487 0.080 0.000 0.909 234 N HN 1.802 nan 8.380 nan 0.000 0.546 235 G N -2.236 106.594 108.800 0.050 0.000 2.179 235 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 235 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 235 G C -0.004 174.883 174.900 -0.021 0.000 0.977 235 G CA 0.482 45.590 45.100 0.012 0.000 0.641 235 G HN 0.753 nan 8.290 nan 0.000 0.533 236 S N -0.791 114.910 115.700 0.002 0.000 2.513 236 S HA 0.712 5.182 4.470 0.000 0.000 0.299 236 S C -0.052 174.430 174.600 -0.197 0.000 1.087 236 S CA -0.326 57.774 58.200 -0.167 0.000 1.012 236 S CB 2.410 65.471 63.200 -0.230 0.000 1.044 236 S HN 0.613 nan 8.310 nan 0.000 0.485 237 c N 2.479 120.849 118.600 -0.382 0.000 2.493 237 c HA 0.828 5.399 4.570 0.000 0.000 0.326 237 c C -0.924 172.917 174.090 -0.414 0.000 1.200 237 c CA -0.798 55.433 56.329 -0.163 0.000 1.739 237 c CB -0.020 42.483 42.510 -0.012 0.000 2.300 237 c HN 0.810 nan 8.230 nan 0.000 0.500 238 F N 0.471 120.509 119.950 0.146 0.000 2.576 238 F HA 0.745 5.272 4.527 0.000 0.000 0.313 238 F C 0.347 176.262 175.800 0.191 0.000 1.078 238 F CA -0.498 57.622 58.000 0.199 0.000 0.921 238 F CB 1.903 41.117 39.000 0.356 0.000 1.232 238 F HN 0.540 nan 8.300 nan 0.000 0.459 239 T N 0.790 115.559 114.554 0.358 0.000 2.787 239 T HA 0.812 5.162 4.350 0.000 0.000 0.297 239 T C -1.965 172.897 174.700 0.270 0.000 1.221 239 T CA -0.521 61.730 62.100 0.252 0.000 1.006 239 T CB 1.628 70.571 68.868 0.125 0.000 1.328 239 T HN 0.398 nan 8.240 nan 0.000 0.509 240 V N 2.875 122.915 119.914 0.209 0.000 2.656 240 V HA 0.679 4.799 4.120 0.000 0.000 0.307 240 V C -0.412 175.822 176.094 0.234 0.000 1.051 240 V CA -0.741 61.680 62.300 0.201 0.000 0.893 240 V CB 1.747 33.629 31.823 0.097 0.000 0.999 240 V HN 0.872 nan 8.190 nan 0.000 0.426 241 M N 2.158 121.974 119.600 0.360 0.000 2.619 241 M HA 0.661 5.142 4.480 0.000 0.000 0.297 241 M C -0.749 175.800 176.300 0.416 0.000 1.229 241 M CA -0.431 55.089 55.300 0.367 0.000 0.860 241 M CB 2.924 35.794 32.600 0.451 0.000 1.741 241 M HN 0.622 nan 8.290 nan 0.000 0.462 242 T N 0.070 114.783 114.554 0.266 0.000 2.906 242 T HA 0.571 4.921 4.350 0.000 0.000 0.295 242 T C -1.654 172.994 174.700 -0.087 0.000 1.061 242 T CA -0.611 61.610 62.100 0.201 0.000 1.000 242 T CB 1.952 70.945 68.868 0.209 0.000 1.103 242 T HN 0.564 nan 8.240 nan 0.000 0.486 243 D N -0.189 120.075 120.400 -0.226 0.000 2.977 243 D HA 0.613 5.253 4.640 0.000 0.000 0.220 243 D C -0.047 176.080 176.300 -0.288 0.000 1.267 243 D CA 0.525 54.247 54.000 -0.463 0.000 0.884 243 D CB 1.711 41.768 40.800 -1.239 0.000 1.667 243 D HN 0.989 nan 8.370 nan 0.000 0.536 244 G N 2.646 111.327 108.800 -0.198 0.000 2.331 244 G HA2 0.018 3.978 3.960 0.000 0.000 0.402 244 G HA3 0.018 3.978 3.960 0.000 0.000 0.402 244 G C -2.928 171.932 174.900 -0.066 0.000 1.275 244 G CA -1.003 44.016 45.100 -0.135 0.000 1.003 244 G HN 0.413 nan 8.290 nan 0.000 0.500 245 P HA 0.235 nan 4.420 nan 0.000 0.265 245 P C 0.852 178.212 177.300 0.101 0.000 1.193 245 P CA 0.702 63.782 63.100 -0.033 0.000 0.765 245 P CB 0.913 32.535 31.700 -0.130 0.000 0.823 246 S N 0.572 116.337 115.700 0.108 0.000 2.577 246 S HA 0.085 4.555 4.470 0.000 0.000 0.219 246 S C 1.147 175.793 174.600 0.077 0.000 0.962 246 S CA 0.156 58.501 58.200 0.241 0.000 0.921 246 S CB -0.620 62.690 63.200 0.184 0.000 0.789 246 S HN 0.266 nan 8.310 nan 0.000 0.497 247 N N 1.177 119.835 118.700 -0.069 0.000 2.414 247 N HA 0.366 5.106 4.740 0.000 0.000 0.177 247 N C 0.689 175.870 175.510 -0.549 0.000 1.062 247 N CA 0.926 53.861 53.050 -0.192 0.000 0.890 247 N CB 0.982 39.391 38.487 -0.131 0.000 1.070 247 N HN 0.596 nan 8.380 nan 0.000 0.454 248 G N -1.139 107.148 108.800 -0.855 0.000 2.677 248 G HA2 0.120 4.080 3.960 0.000 0.000 0.283 248 G HA3 0.120 4.080 3.960 0.000 0.000 0.283 248 G C -1.481 172.488 174.900 -1.551 0.000 1.221 248 G CA -0.439 43.476 45.100 -1.975 0.000 0.851 248 G HN -0.112 nan 8.290 nan 0.000 0.504 249 Q N 0.783 119.664 119.800 -1.531 0.000 2.269 249 Q HA 0.474 4.814 4.340 0.000 0.000 0.300 249 Q C 0.268 176.147 176.000 -0.203 0.000 1.070 249 Q CA 0.673 56.157 55.803 -0.531 0.000 0.957 249 Q CB 0.617 29.232 28.738 -0.205 0.000 1.131 249 Q HN 0.879 nan 8.270 nan 0.000 0.377 250 A N 2.769 125.571 122.820 -0.029 0.000 2.443 250 A HA 0.698 5.018 4.320 0.000 0.000 0.278 250 A C -0.866 176.327 177.584 -0.652 0.000 1.252 250 A CA -0.447 51.458 52.037 -0.221 0.000 0.816 250 A CB 1.717 20.673 19.000 -0.074 0.000 1.369 250 A HN 0.561 nan 8.150 nan 0.000 0.446 251 S N -0.658 114.710 115.700 -0.554 0.000 2.437 251 S HA 0.694 5.164 4.470 0.000 0.000 0.305 251 S C -1.606 172.761 174.600 -0.388 0.000 1.109 251 S CA -0.323 57.617 58.200 -0.433 0.000 1.099 251 S CB -0.057 63.252 63.200 0.181 0.000 1.004 251 S HN 0.403 nan 8.310 nan 0.000 0.475 252 Y N 2.858 123.279 120.300 0.202 0.000 2.393 252 Y HA 0.629 5.179 4.550 0.000 0.000 0.341 252 Y C 0.312 176.178 175.900 -0.056 0.000 0.988 252 Y CA -1.022 57.150 58.100 0.119 0.000 1.078 252 Y CB 1.476 39.943 38.460 0.012 0.000 1.203 252 Y HN 0.392 nan 8.280 nan 0.000 0.453 253 K N 3.318 123.757 120.400 0.064 0.000 2.464 253 K HA 0.624 4.944 4.320 0.000 0.000 0.253 253 K C -1.476 174.918 176.600 -0.344 0.000 0.933 253 K CA -0.704 55.374 56.287 -0.348 0.000 0.801 253 K CB 2.680 34.719 32.500 -0.768 0.000 1.271 253 K HN 0.611 nan 8.250 nan 0.000 0.430 254 I N 3.168 123.397 120.570 -0.568 0.000 2.354 254 I HA 0.377 4.547 4.170 0.000 0.000 0.292 254 I C -0.884 174.940 176.117 -0.488 0.000 0.989 254 I CA -0.703 60.327 61.300 -0.450 0.000 1.188 254 I CB 0.714 38.262 38.000 -0.754 0.000 1.342 254 I HN 0.347 nan 8.210 nan 0.000 0.457 255 F N 4.784 124.660 119.950 -0.124 0.000 2.492 255 F HA 0.524 5.051 4.527 0.000 0.000 0.327 255 F C 0.150 175.918 175.800 -0.053 0.000 1.079 255 F CA -0.838 57.106 58.000 -0.093 0.000 0.967 255 F CB 1.592 40.548 39.000 -0.074 0.000 1.169 255 F HN 0.268 nan 8.300 nan 0.000 0.472 256 K N 4.505 124.941 120.400 0.060 0.000 2.323 256 K HA 0.693 5.013 4.320 0.000 0.000 0.259 256 K C -1.351 175.124 176.600 -0.208 0.000 0.947 256 K CA -0.620 55.544 56.287 -0.204 0.000 0.819 256 K CB 1.047 33.482 32.500 -0.107 0.000 1.109 256 K HN 0.784 nan 8.250 nan 0.000 0.429 257 M N 1.971 121.373 119.600 -0.329 0.000 2.518 257 M HA 0.481 4.961 4.480 0.000 0.000 0.300 257 M C -1.318 174.824 176.300 -0.263 0.000 1.175 257 M CA -0.827 54.337 55.300 -0.225 0.000 0.890 257 M CB 2.242 34.748 32.600 -0.156 0.000 1.710 257 M HN 0.453 nan 8.290 nan 0.000 0.453 258 E N 1.488 121.549 120.200 -0.232 0.000 2.244 258 E HA 0.372 4.722 4.350 0.000 0.000 0.260 258 E C -1.188 175.190 176.600 -0.370 0.000 0.884 258 E CA -0.764 55.483 56.400 -0.254 0.000 0.777 258 E CB 1.873 31.461 29.700 -0.186 0.000 1.197 258 E HN 0.712 nan 8.360 nan 0.000 0.416 259 K N 1.464 121.488 120.400 -0.627 0.000 3.117 259 K HA -0.252 4.068 4.320 0.000 0.000 0.269 259 K C 0.627 176.673 176.600 -0.924 0.000 1.098 259 K CA 0.514 55.989 56.287 -1.352 0.000 0.785 259 K CB -1.549 30.474 32.500 -0.795 0.000 1.242 259 K HN 1.098 nan 8.250 nan 0.000 0.491 260 G N 0.602 109.102 108.800 -0.500 0.000 2.155 260 G HA2 -0.390 3.570 3.960 0.000 0.000 0.257 260 G HA3 -0.390 3.570 3.960 0.000 0.000 0.257 260 G C -0.084 174.728 174.900 -0.146 0.000 0.983 260 G CA 1.009 46.003 45.100 -0.177 0.000 0.676 260 G HN 0.451 nan 8.290 nan 0.000 0.528 261 K N 0.383 120.674 120.400 -0.181 0.000 2.206 261 K HA 0.602 4.923 4.320 0.000 0.000 0.264 261 K C 0.231 176.769 176.600 -0.104 0.000 0.967 261 K CA -0.845 55.369 56.287 -0.122 0.000 0.844 261 K CB 1.581 34.009 32.500 -0.119 0.000 1.099 261 K HN -0.001 nan 8.250 nan 0.000 0.441 262 V N 5.922 125.797 119.914 -0.064 0.000 2.439 262 V HA -0.008 4.112 4.120 0.000 0.000 0.271 262 V C 1.160 177.235 176.094 -0.032 0.000 1.040 262 V CA -0.110 62.174 62.300 -0.028 0.000 1.002 262 V CB 0.807 32.654 31.823 0.040 0.000 1.000 262 V HN 0.781 nan 8.190 nan 0.000 0.477 263 V N 1.972 121.857 119.914 -0.049 0.000 3.431 263 V HA 0.410 4.530 4.120 0.000 0.000 0.253 263 V C 0.514 176.585 176.094 -0.038 0.000 1.184 263 V CA 0.570 62.840 62.300 -0.049 0.000 1.104 263 V CB -0.275 31.509 31.823 -0.066 0.000 0.799 263 V HN 0.770 nan 8.190 nan 0.000 0.462 264 K N 0.621 121.001 120.400 -0.034 0.000 2.578 264 K HA 0.598 4.918 4.320 0.000 0.000 0.269 264 K C -1.430 175.119 176.600 -0.085 0.000 0.941 264 K CA 0.306 56.563 56.287 -0.051 0.000 0.847 264 K CB 2.292 34.769 32.500 -0.038 0.000 1.397 264 K HN 0.457 nan 8.250 nan 0.000 0.422 265 S N 0.728 116.320 115.700 -0.180 0.000 2.537 265 S HA 0.740 5.210 4.470 0.000 0.000 0.270 265 S C -1.430 172.925 174.600 -0.408 0.000 1.142 265 S CA -0.722 57.237 58.200 -0.403 0.000 0.870 265 S CB 1.916 64.779 63.200 -0.561 0.000 1.112 265 S HN 0.273 nan 8.310 nan 0.000 0.466 266 V N 1.372 120.977 119.914 -0.515 0.000 2.925 266 V HA 0.590 4.710 4.120 0.000 0.000 0.311 266 V C -0.661 175.142 176.094 -0.484 0.000 1.104 266 V CA -0.684 61.380 62.300 -0.393 0.000 0.954 266 V CB 1.955 33.624 31.823 -0.257 0.000 1.022 266 V HN 1.040 nan 8.190 nan 0.000 0.427 267 E N 2.912 122.891 120.200 -0.368 0.000 2.175 267 E HA 0.552 4.902 4.350 0.000 0.000 0.278 267 E C -1.048 175.392 176.600 -0.266 0.000 0.969 267 E CA -0.605 55.587 56.400 -0.346 0.000 0.796 267 E CB 1.257 30.780 29.700 -0.294 0.000 1.104 267 E HN 0.576 nan 8.360 nan 0.000 0.395 268 L N 3.420 124.456 121.223 -0.313 0.000 2.426 268 L HA 0.132 4.472 4.340 0.000 0.000 0.271 268 L C 0.272 177.125 176.870 -0.029 0.000 1.169 268 L CA -0.054 54.564 54.840 -0.369 0.000 0.836 268 L CB 0.411 42.231 42.059 -0.397 0.000 1.112 268 L HN 0.635 nan 8.230 nan 0.000 0.465 269 D N 2.794 123.259 120.400 0.108 0.000 2.557 269 D HA 0.336 4.976 4.640 0.000 0.000 0.236 269 D C -0.106 176.270 176.300 0.127 0.000 1.154 269 D CA -0.268 53.813 54.000 0.135 0.000 0.985 269 D CB 0.676 41.565 40.800 0.149 0.000 1.010 269 D HN 0.517 nan 8.370 nan 0.000 0.516 270 A N 3.885 126.796 122.820 0.152 0.000 3.150 270 A HA 0.390 4.710 4.320 0.000 0.000 0.328 270 A C -2.407 175.415 177.584 0.395 0.000 1.104 270 A CA -1.233 50.857 52.037 0.088 0.000 0.937 270 A CB 0.157 19.140 19.000 -0.028 0.000 1.073 270 A HN 0.325 nan 8.150 nan 0.000 0.497 271 P HA 0.070 nan 4.420 nan 0.000 0.267 271 P C 0.200 177.801 177.300 0.503 0.000 1.205 271 P CA 0.548 63.884 63.100 0.393 0.000 0.765 271 P CB 0.883 32.739 31.700 0.259 0.000 0.828 272 N N 0.699 119.723 118.700 0.540 0.000 2.984 272 N HA -0.189 4.551 4.740 0.000 0.000 0.227 272 N C -0.991 174.738 175.510 0.365 0.000 0.903 272 N CA 1.145 54.437 53.050 0.403 0.000 0.995 272 N CB -1.910 36.656 38.487 0.132 0.000 1.065 272 N HN 0.338 nan 8.380 nan 0.000 0.585 273 Y N 0.469 121.009 120.300 0.400 0.000 2.458 273 Y HA 0.592 5.142 4.550 0.000 0.000 0.322 273 Y C 0.814 176.961 175.900 0.412 0.000 1.259 273 Y CA -0.161 58.109 58.100 0.283 0.000 1.302 273 Y CB 1.006 39.479 38.460 0.020 0.000 1.314 273 Y HN 0.099 nan 8.280 nan 0.000 0.509 274 H N 1.407 120.536 119.070 0.099 0.000 3.181 274 H HA 0.257 4.813 4.556 0.000 0.000 0.331 274 H C -2.008 173.128 175.328 -0.320 0.000 0.988 274 H CA -0.563 55.556 56.048 0.118 0.000 1.449 274 H CB 0.637 30.633 29.762 0.390 0.000 1.749 274 H HN 0.686 nan 8.280 nan 0.000 0.501 275 Y N 2.943 122.827 120.300 -0.694 0.000 2.341 275 Y HA 0.361 4.911 4.550 0.000 0.000 0.337 275 Y C 0.045 175.818 175.900 -0.212 0.000 1.014 275 Y CA -0.406 57.427 58.100 -0.445 0.000 1.111 275 Y CB 1.936 40.061 38.460 -0.559 0.000 1.194 275 Y HN 0.590 nan 8.280 nan 0.000 0.462 276 E N 1.581 121.823 120.200 0.069 0.000 2.354 276 E HA 0.241 4.591 4.350 0.000 0.000 0.283 276 E C -1.350 175.305 176.600 0.091 0.000 0.938 276 E CA -0.764 55.689 56.400 0.088 0.000 0.777 276 E CB 1.258 31.006 29.700 0.082 0.000 1.222 276 E HN 0.676 nan 8.360 nan 0.000 0.423 277 E N 0.620 120.886 120.200 0.109 0.000 2.230 277 E HA -0.234 4.116 4.350 0.000 0.000 0.206 277 E C -0.800 175.852 176.600 0.087 0.000 1.309 277 E CA 0.191 56.651 56.400 0.100 0.000 0.697 277 E CB -1.934 27.806 29.700 0.066 0.000 1.146 277 E HN 0.365 nan 8.360 nan 0.000 0.363 278 c N 1.111 119.774 118.600 0.105 0.000 2.676 278 c HA 0.231 4.801 4.570 0.000 0.000 0.416 278 c C 1.226 175.382 174.090 0.110 0.000 1.299 278 c CA -0.240 56.156 56.329 0.112 0.000 2.048 278 c CB 0.736 43.315 42.510 0.116 0.000 2.713 278 c HN 0.421 nan 8.230 nan 0.000 0.624 279 S N 1.449 117.223 115.700 0.124 0.000 2.498 279 S HA 0.423 4.893 4.470 0.000 0.000 0.324 279 S C -0.527 174.157 174.600 0.139 0.000 1.071 279 S CA -0.426 57.862 58.200 0.148 0.000 1.113 279 S CB 0.384 63.684 63.200 0.167 0.000 0.976 279 S HN 0.824 nan 8.310 nan 0.000 0.462 280 c N 3.996 122.677 118.600 0.135 0.000 2.417 280 c HA 0.797 5.367 4.570 0.000 0.000 0.324 280 c C -0.504 173.675 174.090 0.148 0.000 1.240 280 c CA -1.106 55.255 56.329 0.054 0.000 1.632 280 c CB -0.528 42.016 42.510 0.056 0.000 2.241 280 c HN 0.934 nan 8.230 nan 0.000 0.499 281 Y N 1.432 121.775 120.300 0.072 0.000 2.545 281 Y HA 0.827 5.377 4.550 0.000 0.000 0.348 281 Y C -3.007 172.910 175.900 0.029 0.000 1.002 281 Y CA -3.172 54.994 58.100 0.110 0.000 1.039 281 Y CB 0.931 39.523 38.460 0.220 0.000 1.271 281 Y HN 0.434 nan 8.280 nan 0.000 0.467 282 P HA 0.226 nan 4.420 nan 0.000 0.282 282 P C -1.282 176.116 177.300 0.162 0.000 1.249 282 P CA -0.274 62.882 63.100 0.093 0.000 0.806 282 P CB 1.742 33.505 31.700 0.106 0.000 0.984 283 N N 1.634 120.359 118.700 0.042 0.000 2.777 283 N HA 0.247 4.987 4.740 0.000 0.000 0.260 283 N C -0.578 174.915 175.510 -0.027 0.000 1.113 283 N CA 0.127 53.203 53.050 0.043 0.000 0.996 283 N CB 1.283 39.838 38.487 0.113 0.000 1.584 283 N HN 0.510 nan 8.380 nan 0.000 0.573 284 A N 2.368 125.177 122.820 -0.018 0.000 2.791 284 A HA -0.028 4.292 4.320 0.000 0.000 0.292 284 A C 1.351 178.914 177.584 -0.034 0.000 1.487 284 A CA 2.021 54.042 52.037 -0.027 0.000 0.760 284 A CB -2.151 16.826 19.000 -0.038 0.000 1.031 284 A HN 2.159 nan 8.150 nan 0.000 0.503 285 G N -2.317 106.466 108.800 -0.029 0.000 2.159 285 G HA2 -0.196 3.764 3.960 0.000 0.000 0.256 285 G HA3 -0.196 3.764 3.960 0.000 0.000 0.256 285 G C -0.116 174.733 174.900 -0.086 0.000 0.977 285 G CA 1.170 46.251 45.100 -0.032 0.000 0.652 285 G HN 1.339 nan 8.290 nan 0.000 0.531 286 E N -1.306 118.811 120.200 -0.140 0.000 2.423 286 E HA 0.728 5.078 4.350 0.000 0.000 0.269 286 E C -0.986 175.388 176.600 -0.376 0.000 0.948 286 E CA -1.157 55.088 56.400 -0.258 0.000 0.802 286 E CB 1.528 31.102 29.700 -0.210 0.000 1.339 286 E HN 0.088 nan 8.360 nan 0.000 0.445 287 I N 0.571 120.745 120.570 -0.660 0.000 2.493 287 I HA 0.317 4.487 4.170 0.000 0.000 0.298 287 I C -0.350 175.299 176.117 -0.780 0.000 0.998 287 I CA -0.198 60.635 61.300 -0.778 0.000 1.137 287 I CB 2.108 39.426 38.000 -1.136 0.000 1.310 287 I HN 0.295 nan 8.210 nan 0.000 0.445 288 T N 4.191 118.321 114.554 -0.707 0.000 2.879 288 T HA 0.515 4.865 4.350 0.000 0.000 0.290 288 T C -1.113 173.277 174.700 -0.517 0.000 0.993 288 T CA -0.358 61.374 62.100 -0.612 0.000 0.975 288 T CB 0.842 69.240 68.868 -0.785 0.000 0.981 288 T HN 0.550 nan 8.240 nan 0.000 0.439 289 c N 3.081 121.604 118.600 -0.129 0.000 2.455 289 c HA 0.782 5.352 4.570 0.000 0.000 0.320 289 c C -0.009 174.199 174.090 0.195 0.000 1.226 289 c CA -0.867 55.476 56.329 0.023 0.000 1.569 289 c CB 0.936 43.495 42.510 0.082 0.000 2.200 289 c HN 0.683 nan 8.230 nan 0.000 0.491 290 V N 2.487 122.509 119.914 0.180 0.000 2.384 290 V HA 0.543 4.663 4.120 0.000 0.000 0.287 290 V C 0.145 176.318 176.094 0.132 0.000 1.020 290 V CA -0.123 62.292 62.300 0.192 0.000 0.850 290 V CB 0.938 32.856 31.823 0.158 0.000 0.987 290 V HN 1.158 nan 8.190 nan 0.000 0.436 291 c N 3.522 122.187 118.600 0.108 0.000 3.188 291 c HA 0.734 5.304 4.570 0.000 0.000 0.379 291 c C 0.190 174.279 174.090 -0.002 0.000 2.263 291 c CA -1.026 55.352 56.329 0.081 0.000 1.616 291 c CB 1.556 44.184 42.510 0.195 0.000 2.632 291 c HN 0.903 nan 8.230 nan 0.000 0.488 292 R N 1.226 121.727 120.500 0.002 0.000 2.393 292 R HA 0.381 4.721 4.340 0.000 0.000 0.315 292 R C -1.616 174.713 176.300 0.047 0.000 0.952 292 R CA -0.022 56.075 56.100 -0.006 0.000 0.842 292 R CB 0.778 31.060 30.300 -0.029 0.000 1.163 292 R HN 0.823 nan 8.270 nan 0.000 0.450 293 D N 3.340 123.786 120.400 0.076 0.000 2.396 293 D HA 0.055 4.695 4.640 0.000 0.000 0.225 293 D C -0.126 176.301 176.300 0.212 0.000 1.121 293 D CA -0.182 53.947 54.000 0.215 0.000 0.853 293 D CB 1.216 42.157 40.800 0.234 0.000 1.043 293 D HN 0.657 nan 8.370 nan 0.000 0.500 294 N N 3.254 122.157 118.700 0.339 0.000 2.373 294 N HA -0.008 4.732 4.740 0.000 0.000 0.181 294 N C 1.037 176.596 175.510 0.082 0.000 1.082 294 N CA 0.094 53.250 53.050 0.177 0.000 0.885 294 N CB 0.082 38.715 38.487 0.244 0.000 0.977 294 N HN 0.504 nan 8.380 nan 0.000 0.462 295 W N 1.179 122.233 121.300 -0.410 0.000 2.501 295 W HA 0.047 4.707 4.660 0.000 0.000 0.309 295 W C 0.106 176.496 176.519 -0.215 0.000 1.165 295 W CA 1.881 58.903 57.345 -0.539 0.000 1.381 295 W CB -0.569 28.239 29.460 -1.085 0.000 1.142 295 W HN 0.329 nan 8.180 nan 0.000 0.509 296 H N -1.781 117.138 119.070 -0.252 0.000 3.407 296 H HA 0.536 5.092 4.556 0.000 0.000 0.222 296 H C -0.373 174.752 175.328 -0.338 0.000 1.357 296 H CA -1.020 54.798 56.048 -0.383 0.000 1.145 296 H CB -0.423 28.892 29.762 -0.745 0.000 2.622 296 H HN 0.077 nan 8.280 nan 0.000 0.556 297 G N -0.626 108.185 108.800 0.017 0.000 2.662 297 G HA2 0.457 4.417 3.960 0.000 0.000 0.302 297 G HA3 0.457 4.417 3.960 0.000 0.000 0.302 297 G C -0.101 174.776 174.900 -0.038 0.000 1.389 297 G CA -0.659 44.404 45.100 -0.062 0.000 0.998 297 G HN 0.142 nan 8.290 nan 0.000 0.502 298 S N 0.635 116.266 115.700 -0.116 0.000 2.503 298 S HA 0.074 4.544 4.470 0.000 0.000 0.215 298 S C 1.044 175.650 174.600 0.009 0.000 1.003 298 S CA -0.238 57.889 58.200 -0.121 0.000 0.910 298 S CB -0.028 62.953 63.200 -0.364 0.000 0.790 298 S HN 0.816 nan 8.310 nan 0.000 0.514 299 N N 1.688 120.429 118.700 0.069 0.000 2.485 299 N HA 0.333 5.073 4.740 0.000 0.000 0.280 299 N C -0.647 174.962 175.510 0.165 0.000 1.205 299 N CA -0.674 52.476 53.050 0.167 0.000 0.959 299 N CB 0.849 39.457 38.487 0.202 0.000 1.206 299 N HN -0.001 nan 8.380 nan 0.000 0.545 300 R N -0.506 120.049 120.500 0.092 0.000 2.598 300 R HA 0.541 4.881 4.340 0.000 0.000 0.279 300 R C -2.217 173.919 176.300 -0.273 0.000 0.984 300 R CA -1.527 54.553 56.100 -0.034 0.000 0.999 300 R CB 1.704 31.974 30.300 -0.050 0.000 1.114 300 R HN 0.547 nan 8.270 nan 0.000 0.493 301 P HA 0.339 nan 4.420 nan 0.000 0.285 301 P C -1.132 176.032 177.300 -0.227 0.000 1.280 301 P CA -0.549 61.942 63.100 -1.015 0.000 0.862 301 P CB 1.235 32.052 31.700 -1.472 0.000 1.153 302 W N 0.142 121.379 121.300 -0.105 0.000 3.107 302 W HA 0.609 5.269 4.660 0.000 0.000 0.331 302 W C -2.341 174.327 176.519 0.247 0.000 1.204 302 W CA -1.245 56.172 57.345 0.120 0.000 1.184 302 W CB 0.913 30.409 29.460 0.060 0.000 1.421 302 W HN 0.025 nan 8.180 nan 0.000 0.544 303 V N 1.834 122.063 119.914 0.525 0.000 2.789 303 V HA 0.679 4.799 4.120 0.000 0.000 0.311 303 V C -0.235 176.112 176.094 0.420 0.000 1.073 303 V CA -0.897 61.614 62.300 0.352 0.000 0.921 303 V CB 1.171 33.001 31.823 0.012 0.000 1.009 303 V HN 0.672 nan 8.190 nan 0.000 0.426 304 S N 3.039 119.006 115.700 0.445 0.000 2.541 304 S HA 0.978 5.448 4.470 0.000 0.000 0.280 304 S C -1.052 173.658 174.600 0.184 0.000 1.112 304 S CA -0.701 57.559 58.200 0.100 0.000 0.925 304 S CB 2.199 65.468 63.200 0.115 0.000 1.067 304 S HN 1.413 nan 8.310 nan 0.000 0.479 305 F N -0.612 119.340 119.950 0.003 0.000 2.713 305 F HA 0.726 5.253 4.527 0.000 0.000 0.311 305 F C -0.685 175.050 175.800 -0.108 0.000 1.141 305 F CA -1.144 56.854 58.000 -0.003 0.000 0.939 305 F CB 0.389 39.403 39.000 0.023 0.000 1.325 305 F HN 0.635 nan 8.300 nan 0.000 0.453 309 N N 0.552 119.350 118.700 0.163 0.000 2.282 309 N HA 0.170 4.910 4.740 0.000 0.000 0.240 309 N C -0.262 175.310 175.510 0.104 0.000 1.182 309 N CA 0.137 53.261 53.050 0.124 0.000 0.874 309 N CB 1.002 39.533 38.487 0.075 0.000 1.126 309 N HN 0.057 nan 8.380 nan 0.000 0.516 310 L N 0.406 121.711 121.223 0.137 0.000 4.232 310 L HA -0.251 4.089 4.340 0.000 0.000 0.415 310 L C -0.260 176.685 176.870 0.125 0.000 1.168 310 L CA 0.837 55.705 54.840 0.047 0.000 0.966 310 L CB -2.173 39.854 42.059 -0.054 0.000 2.052 310 L HN 0.244 nan 8.230 nan 0.000 0.887 311 E N -0.115 120.167 120.200 0.138 0.000 2.223 311 E HA 0.466 4.816 4.350 0.000 0.000 0.282 311 E C -0.108 176.599 176.600 0.178 0.000 1.046 311 E CA -0.269 56.181 56.400 0.082 0.000 0.857 311 E CB 0.625 30.343 29.700 0.030 0.000 1.055 311 E HN 0.395 nan 8.360 nan 0.000 0.409 312 Y N 0.061 120.398 120.300 0.061 0.000 2.662 312 Y HA 0.588 5.138 4.550 0.000 0.000 0.335 312 Y C -0.669 175.290 175.900 0.099 0.000 1.066 312 Y CA -1.244 56.926 58.100 0.117 0.000 1.116 312 Y CB 1.363 39.868 38.460 0.075 0.000 1.308 312 Y HN 0.274 nan 8.280 nan 0.000 0.502 313 Q N 2.098 122.126 119.800 0.379 0.000 2.345 313 Q HA 0.658 4.998 4.340 0.000 0.000 0.275 313 Q C -1.281 174.859 176.000 0.233 0.000 1.063 313 Q CA -1.000 54.977 55.803 0.291 0.000 0.819 313 Q CB 3.495 32.461 28.738 0.380 0.000 1.356 313 Q HN 0.831 nan 8.270 nan 0.000 0.418 314 I N -2.397 118.109 120.570 -0.107 0.000 3.002 314 I HA 1.016 5.186 4.170 0.000 0.000 0.310 314 I C -0.194 175.353 176.117 -0.949 0.000 1.087 314 I CA -0.844 60.121 61.300 -0.559 0.000 1.017 314 I CB 2.443 40.178 38.000 -0.442 0.000 1.226 314 I HN 0.698 nan 8.210 nan 0.000 0.443 315 G N 1.565 109.621 108.800 -1.240 0.000 2.321 315 G HA2 0.457 4.417 3.960 0.000 0.000 0.296 315 G HA3 0.457 4.417 3.960 0.000 0.000 0.296 315 G C -2.577 171.831 174.900 -0.820 0.000 1.287 315 G CA -0.638 43.973 45.100 -0.815 0.000 0.846 315 G HN 0.618 nan 8.290 nan 0.000 0.508 316 Y N -0.463 119.628 120.300 -0.350 0.000 2.462 316 Y HA 0.588 5.138 4.550 0.000 0.000 0.346 316 Y C 0.762 176.617 175.900 -0.074 0.000 0.976 316 Y CA -0.724 57.253 58.100 -0.204 0.000 1.044 316 Y CB 2.043 40.350 38.460 -0.255 0.000 1.230 316 Y HN 0.458 nan 8.280 nan 0.000 0.455 317 I N 3.189 123.759 120.570 -0.001 0.000 2.587 317 I HA -0.104 4.066 4.170 0.000 0.000 0.284 317 I C 0.389 176.458 176.117 -0.081 0.000 1.134 317 I CA 0.214 61.380 61.300 -0.223 0.000 1.410 317 I CB 0.386 38.249 38.000 -0.228 0.000 1.392 317 I HN 0.813 nan 8.210 nan 0.000 0.545 318 c N 3.084 121.621 118.600 -0.104 0.000 2.539 318 c HA -0.013 4.557 4.570 0.000 0.000 0.268 318 c C 1.698 175.732 174.090 -0.093 0.000 1.395 318 c CA -0.283 56.011 56.329 -0.059 0.000 1.757 318 c CB -1.199 41.290 42.510 -0.035 0.000 1.851 318 c HN 0.856 nan 8.230 nan 0.000 0.545 319 S N 1.480 117.105 115.700 -0.124 0.000 2.563 319 S HA 0.259 4.729 4.470 0.000 0.000 0.294 319 S C 1.407 175.806 174.600 -0.334 0.000 1.279 319 S CA 0.497 58.587 58.200 -0.182 0.000 1.069 319 S CB 0.528 63.627 63.200 -0.168 0.000 0.828 319 S HN 0.635 nan 8.310 nan 0.000 0.497 320 G N 3.406 111.980 108.800 -0.377 0.000 2.708 320 G HA2 0.029 3.989 3.960 0.000 0.000 0.210 320 G HA3 0.029 3.989 3.960 0.000 0.000 0.210 320 G C 0.296 174.681 174.900 -0.860 0.000 1.141 320 G CA 0.105 44.808 45.100 -0.662 0.000 0.788 320 G HN 0.673 nan 8.290 nan 0.000 0.531 321 V N 2.455 122.047 119.914 -0.538 0.000 2.174 321 V HA 0.265 4.385 4.120 0.000 0.000 0.259 321 V C -0.082 175.795 176.094 -0.362 0.000 1.261 321 V CA -1.111 60.948 62.300 -0.402 0.000 1.137 321 V CB -1.102 30.541 31.823 -0.300 0.000 1.290 321 V HN 0.222 nan 8.190 nan 0.000 0.486 322 F N 1.673 121.569 119.950 -0.090 0.000 2.623 322 F HA 0.131 4.658 4.527 0.000 0.000 0.386 322 F C 1.662 177.395 175.800 -0.113 0.000 1.068 322 F CA 0.731 58.678 58.000 -0.089 0.000 1.265 322 F CB 0.490 39.449 39.000 -0.069 0.000 1.026 322 F HN 0.436 nan 8.300 nan 0.000 0.568 323 G N 1.360 110.196 108.800 0.060 0.000 2.719 323 G HA2 -0.065 3.895 3.960 0.000 0.000 0.211 323 G HA3 -0.065 3.895 3.960 0.000 0.000 0.211 323 G C 0.184 175.065 174.900 -0.031 0.000 1.140 323 G CA -0.059 45.012 45.100 -0.049 0.000 0.790 323 G HN 0.531 nan 8.290 nan 0.000 0.529 324 D N 0.376 120.785 120.400 0.016 0.000 2.377 324 D HA 0.186 4.827 4.640 0.000 0.000 0.245 324 D C -0.423 175.888 176.300 0.019 0.000 1.196 324 D CA -0.262 53.740 54.000 0.004 0.000 0.962 324 D CB 0.661 41.466 40.800 0.007 0.000 1.127 324 D HN 0.137 nan 8.370 nan 0.000 0.471 325 N N 1.096 119.813 118.700 0.028 0.000 2.454 325 N HA 0.239 4.979 4.740 0.000 0.000 0.291 325 N C -3.011 172.560 175.510 0.101 0.000 1.079 325 N CA -1.349 51.743 53.050 0.069 0.000 0.893 325 N CB 2.620 41.165 38.487 0.097 0.000 1.512 325 N HN 0.132 nan 8.380 nan 0.000 0.497 326 P HA 0.228 nan 4.420 nan 0.000 0.273 326 P C -0.895 176.426 177.300 0.036 0.000 1.250 326 P CA 0.062 63.222 63.100 0.101 0.000 0.793 326 P CB 1.228 32.998 31.700 0.117 0.000 1.011 327 R N -1.441 119.061 120.500 0.003 0.000 2.728 327 R HA 0.640 4.980 4.340 0.000 0.000 0.274 327 R C -3.065 173.183 176.300 -0.086 0.000 1.030 327 R CA -1.872 54.185 56.100 -0.072 0.000 0.876 327 R CB 0.577 30.874 30.300 -0.005 0.000 1.259 327 R HN 0.190 nan 8.270 nan 0.000 0.468 328 P HA 0.190 nan 4.420 nan 0.000 0.284 328 P C -0.918 176.419 177.300 0.061 0.000 1.287 328 P CA -0.655 62.373 63.100 -0.120 0.000 0.824 328 P CB 0.658 32.203 31.700 -0.258 0.000 1.180 329 N N 0.551 119.304 118.700 0.088 0.000 2.381 329 N HA 0.020 4.760 4.740 0.000 0.000 0.241 329 N C 0.013 175.687 175.510 0.273 0.000 1.279 329 N CA 0.404 53.538 53.050 0.139 0.000 0.896 329 N CB -0.091 38.446 38.487 0.083 0.000 1.118 329 N HN 0.378 nan 8.380 nan 0.000 0.438 330 D N -0.149 120.363 120.400 0.186 0.000 2.443 330 D HA 0.328 4.968 4.640 0.000 0.000 0.239 330 D C 0.932 177.273 176.300 0.068 0.000 1.136 330 D CA 0.563 54.612 54.000 0.081 0.000 0.879 330 D CB 0.904 41.695 40.800 -0.015 0.000 1.195 330 D HN 0.641 nan 8.370 nan 0.000 0.443 331 G N 0.430 109.196 108.800 -0.056 0.000 2.704 331 G HA2 0.149 4.109 3.960 0.000 0.000 0.118 331 G HA3 0.149 4.109 3.960 0.000 0.000 0.118 331 G C -1.041 173.808 174.900 -0.085 0.000 1.197 331 G CA -0.509 44.589 45.100 -0.003 0.000 1.152 331 G HN 0.358 nan 8.290 nan 0.000 0.571 332 T N 1.476 116.044 114.554 0.022 0.000 2.729 332 T HA 0.569 4.919 4.350 0.000 0.000 0.296 332 T C 0.733 175.471 174.700 0.063 0.000 0.928 332 T CA 0.472 62.571 62.100 -0.002 0.000 1.045 332 T CB 0.867 69.743 68.868 0.012 0.000 0.902 332 T HN 0.850 nan 8.240 nan 0.000 0.500 340 P HA 0.247 nan 4.420 nan 0.000 0.258 340 P C 0.091 176.966 177.300 -0.709 0.000 1.187 340 P CA -0.099 62.241 63.100 -1.267 0.000 0.767 340 P CB 0.789 31.701 31.700 -1.313 0.000 0.770 341 V N 4.695 124.322 119.914 -0.477 0.000 2.370 341 V HA 0.041 4.161 4.120 0.000 0.000 0.257 341 V C 1.232 177.106 176.094 -0.367 0.000 1.064 341 V CA 0.051 62.144 62.300 -0.345 0.000 0.975 341 V CB -0.214 31.451 31.823 -0.263 0.000 1.067 341 V HN 0.655 nan 8.190 nan 0.000 0.485 345 G N 0.097 108.848 108.800 -0.082 0.000 2.165 345 G HA2 0.231 4.191 3.960 0.000 0.000 0.144 345 G HA3 0.231 4.191 3.960 0.000 0.000 0.144 345 G C 0.710 175.631 174.900 0.035 0.000 1.049 345 G CA 0.034 45.113 45.100 -0.034 0.000 0.741 345 G HN 1.474 nan 8.290 nan 0.000 0.493 346 A N -1.000 121.859 122.820 0.066 0.000 2.235 346 A HA 0.580 4.900 4.320 0.000 0.000 0.208 346 A C 0.817 178.527 177.584 0.211 0.000 1.172 346 A CA 1.682 53.790 52.037 0.118 0.000 0.786 346 A CB -0.042 19.015 19.000 0.095 0.000 0.804 346 A HN 1.314 nan 8.150 nan 0.000 0.479 347 Y N -1.939 118.390 120.300 0.048 0.000 3.326 347 Y HA 0.562 5.112 4.550 0.000 0.000 0.269 347 Y C 0.503 176.451 175.900 0.080 0.000 2.118 347 Y CA -0.296 57.846 58.100 0.069 0.000 0.942 347 Y CB 0.356 38.853 38.460 0.063 0.000 1.585 347 Y HN 0.477 nan 8.280 nan 0.000 0.542 348 G N 0.227 108.743 108.800 -0.473 0.000 2.356 348 G HA2 0.432 4.392 3.960 0.000 0.000 0.288 348 G HA3 0.432 4.392 3.960 0.000 0.000 0.288 348 G C -2.420 172.235 174.900 -0.408 0.000 1.302 348 G CA -0.086 44.834 45.100 -0.300 0.000 0.887 348 G HN 1.173 nan 8.290 nan 0.000 0.521 349 V N -0.517 119.280 119.914 -0.194 0.000 3.188 349 V HA 0.796 4.916 4.120 0.000 0.000 0.305 349 V C -0.566 175.365 176.094 -0.272 0.000 1.232 349 V CA -0.746 61.460 62.300 -0.157 0.000 1.043 349 V CB 2.024 33.865 31.823 0.029 0.000 1.068 349 V HN 1.074 nan 8.190 nan 0.000 0.439 350 K N 2.135 122.147 120.400 -0.647 0.000 2.298 350 K HA 0.673 4.993 4.320 0.000 0.000 0.280 350 K C -0.054 176.410 176.600 -0.226 0.000 1.032 350 K CA 0.627 56.569 56.287 -0.576 0.000 0.958 350 K CB 1.014 32.855 32.500 -1.098 0.000 0.978 350 K HN 1.036 nan 8.250 nan 0.000 0.472 351 G N 2.396 111.145 108.800 -0.085 0.000 2.911 351 G HA2 0.678 4.638 3.960 0.000 0.000 0.299 351 G HA3 0.678 4.638 3.960 0.000 0.000 0.299 351 G C -1.534 173.438 174.900 0.121 0.000 1.283 351 G CA -0.815 44.305 45.100 0.032 0.000 0.805 351 G HN 0.634 nan 8.290 nan 0.000 0.548 352 F N -2.395 117.476 119.950 -0.131 0.000 2.779 352 F HA 0.892 5.419 4.527 0.000 0.000 0.316 352 F C -0.687 175.021 175.800 -0.154 0.000 1.164 352 F CA -1.530 56.372 58.000 -0.163 0.000 0.924 352 F CB 1.531 40.365 39.000 -0.277 0.000 1.348 352 F HN 0.654 nan 8.300 nan 0.000 0.467 353 S N 0.005 115.558 115.700 -0.246 0.000 2.558 353 S HA 0.638 5.108 4.470 0.000 0.000 0.277 353 S C -2.053 172.568 174.600 0.034 0.000 1.143 353 S CA -0.675 57.427 58.200 -0.162 0.000 0.865 353 S CB 1.115 64.333 63.200 0.030 0.000 1.102 353 S HN 0.586 nan 8.310 nan 0.000 0.454 354 F N 2.449 122.648 119.950 0.416 0.000 2.449 354 F HA 0.483 5.010 4.527 0.000 0.000 0.342 354 F C 0.301 176.299 175.800 0.330 0.000 1.127 354 F CA -0.719 57.470 58.000 0.315 0.000 0.975 354 F CB 1.448 40.613 39.000 0.275 0.000 1.146 354 F HN 0.355 nan 8.300 nan 0.000 0.444 355 K N 4.006 124.549 120.400 0.238 0.000 2.234 355 K HA 0.348 4.668 4.320 0.000 0.000 0.282 355 K C -1.893 174.587 176.600 -0.201 0.000 1.039 355 K CA -0.266 55.925 56.287 -0.160 0.000 0.928 355 K CB 0.583 32.426 32.500 -1.096 0.000 1.039 355 K HN 0.658 nan 8.250 nan 0.000 0.470 356 Y N 3.680 124.029 120.300 0.081 0.000 2.349 356 Y HA 0.268 4.818 4.550 0.000 0.000 0.324 356 Y C 0.875 176.808 175.900 0.056 0.000 1.005 356 Y CA 0.331 58.505 58.100 0.123 0.000 1.240 356 Y CB 1.805 40.446 38.460 0.302 0.000 1.117 356 Y HN 1.076 nan 8.280 nan 0.000 0.463 357 G N 2.823 111.653 108.800 0.051 0.000 2.622 357 G HA2 -0.396 3.564 3.960 0.000 0.000 0.307 357 G HA3 -0.396 3.564 3.960 0.000 0.000 0.307 357 G C 0.871 175.718 174.900 -0.088 0.000 1.226 357 G CA 0.713 45.814 45.100 0.001 0.000 0.997 357 G HN 0.597 nan 8.290 nan 0.000 0.551 358 N N 2.565 121.257 118.700 -0.012 0.000 2.280 358 N HA 0.226 4.966 4.740 0.000 0.000 0.192 358 N C 1.023 176.566 175.510 0.054 0.000 1.109 358 N CA 0.962 54.016 53.050 0.006 0.000 0.855 358 N CB 0.526 39.038 38.487 0.041 0.000 0.974 358 N HN 0.793 nan 8.380 nan 0.000 0.482 359 G N 0.387 109.215 108.800 0.047 0.000 2.522 359 G HA2 0.547 4.507 3.960 0.000 0.000 0.304 359 G HA3 0.547 4.507 3.960 0.000 0.000 0.304 359 G C -0.354 174.648 174.900 0.171 0.000 1.210 359 G CA -0.326 44.727 45.100 -0.080 0.000 0.960 359 G HN -0.017 nan 8.290 nan 0.000 0.497 360 V N -3.765 116.185 119.914 0.061 0.000 3.012 360 V HA 0.655 4.775 4.120 0.000 0.000 0.307 360 V C -1.731 174.649 176.094 0.476 0.000 1.166 360 V CA -1.534 61.018 62.300 0.421 0.000 0.974 360 V CB 1.633 33.677 31.823 0.368 0.000 1.040 360 V HN 0.751 nan 8.190 nan 0.000 0.428 361 W N 3.283 124.983 121.300 0.667 0.000 2.314 361 W HA 0.804 5.464 4.660 0.000 0.000 0.310 361 W C -0.314 176.325 176.519 0.200 0.000 1.075 361 W CA -0.411 57.284 57.345 0.582 0.000 1.253 361 W CB 1.673 31.598 29.460 0.775 0.000 1.238 361 W HN 0.530 nan 8.180 nan 0.000 0.440 362 I N 4.143 124.841 120.570 0.213 0.000 2.378 362 I HA 0.465 4.635 4.170 0.000 0.000 0.291 362 I C 0.805 176.681 176.117 -0.402 0.000 0.992 362 I CA -0.663 60.540 61.300 -0.163 0.000 1.154 362 I CB 1.219 39.105 38.000 -0.190 0.000 1.315 362 I HN 0.437 nan 8.210 nan 0.000 0.448 363 G N 5.707 114.013 108.800 -0.823 0.000 2.367 363 G HA2 0.787 4.747 3.960 0.000 0.000 0.314 363 G HA3 0.787 4.747 3.960 0.000 0.000 0.314 363 G C -0.750 173.657 174.900 -0.823 0.000 1.130 363 G CA -0.452 44.100 45.100 -0.913 0.000 0.864 363 G HN 0.796 nan 8.290 nan 0.000 0.486 364 R N -0.558 119.179 120.500 -1.272 0.000 2.728 364 R HA 0.582 4.922 4.340 0.000 0.000 0.274 364 R C -0.374 175.440 176.300 -0.809 0.000 1.032 364 R CA -0.759 54.887 56.100 -0.757 0.000 0.866 364 R CB 0.319 30.369 30.300 -0.416 0.000 1.263 364 R HN 0.641 nan 8.270 nan 0.000 0.475 365 T N -1.044 113.388 114.554 -0.203 0.000 2.828 365 T HA 0.282 4.632 4.350 0.000 0.000 0.290 365 T C 0.617 175.280 174.700 -0.062 0.000 1.019 365 T CA -0.657 61.454 62.100 0.018 0.000 1.031 365 T CB 1.264 70.222 68.868 0.151 0.000 1.001 365 T HN 0.691 nan 8.240 nan 0.000 0.531 366 K N 0.227 120.630 120.400 0.004 0.000 2.211 366 K HA 0.121 4.441 4.320 0.000 0.000 0.201 366 K C 1.375 177.979 176.600 0.006 0.000 1.052 366 K CA 0.153 56.431 56.287 -0.015 0.000 0.973 366 K CB 0.077 32.581 32.500 0.006 0.000 0.766 366 K HN 0.570 nan 8.250 nan 0.000 0.466 367 S N 0.284 116.004 115.700 0.033 0.000 2.580 367 S HA 0.047 4.517 4.470 0.000 0.000 0.274 367 S C 0.844 175.474 174.600 0.051 0.000 1.329 367 S CA -0.374 57.850 58.200 0.041 0.000 1.036 367 S CB 1.146 64.380 63.200 0.058 0.000 0.919 367 S HN 0.109 nan 8.310 nan 0.000 0.515 368 T N 3.991 118.574 114.554 0.048 0.000 3.057 368 T HA 0.121 4.471 4.350 0.000 0.000 0.254 368 T C 1.170 175.907 174.700 0.062 0.000 1.094 368 T CA 0.233 62.363 62.100 0.049 0.000 1.088 368 T CB -0.114 68.778 68.868 0.040 0.000 0.934 368 T HN 0.630 nan 8.240 nan 0.000 0.497 369 N N 1.045 119.791 118.700 0.077 0.000 2.564 369 N HA 0.091 4.831 4.740 0.000 0.000 0.202 369 N C 0.882 176.478 175.510 0.142 0.000 1.052 369 N CA 0.249 53.356 53.050 0.095 0.000 0.872 369 N CB 0.335 38.867 38.487 0.075 0.000 1.303 369 N HN 0.400 nan 8.380 nan 0.000 0.440 370 S N 0.285 116.082 115.700 0.162 0.000 2.689 370 S HA 0.491 4.961 4.470 0.000 0.000 0.306 370 S C -0.077 174.681 174.600 0.263 0.000 1.104 370 S CA -0.838 57.506 58.200 0.240 0.000 0.973 370 S CB 2.037 65.425 63.200 0.312 0.000 1.121 370 S HN 0.006 nan 8.310 nan 0.000 0.523 371 R N 1.575 122.282 120.500 0.344 0.000 3.688 371 R HA 0.331 4.671 4.340 0.000 0.000 0.194 371 R C -0.615 175.927 176.300 0.403 0.000 1.677 371 R CA 0.018 56.330 56.100 0.354 0.000 1.351 371 R CB -0.396 30.120 30.300 0.362 0.000 1.338 371 R HN 0.477 nan 8.270 nan 0.000 0.731 372 S N 0.734 116.583 115.700 0.249 0.000 2.502 372 S HA 0.698 5.168 4.470 0.000 0.000 0.304 372 S C 0.137 174.799 174.600 0.103 0.000 1.097 372 S CA -0.402 57.857 58.200 0.097 0.000 1.045 372 S CB 2.095 65.236 63.200 -0.098 0.000 1.019 372 S HN 0.798 nan 8.310 nan 0.000 0.481 373 G N 1.576 110.444 108.800 0.114 0.000 2.846 373 G HA2 -0.001 3.959 3.960 0.000 0.000 0.660 373 G HA3 -0.001 3.959 3.960 0.000 0.000 0.660 373 G C -1.160 173.916 174.900 0.294 0.000 1.464 373 G CA -0.468 44.722 45.100 0.151 0.000 0.891 373 G HN 0.827 nan 8.290 nan 0.000 0.552 374 F N 0.561 120.565 119.950 0.090 0.000 2.703 374 F HA 0.645 5.172 4.527 0.000 0.000 0.308 374 F C -0.516 175.324 175.800 0.067 0.000 1.126 374 F CA 0.105 58.159 58.000 0.089 0.000 0.959 374 F CB 1.865 40.957 39.000 0.154 0.000 1.297 374 F HN 1.113 nan 8.300 nan 0.000 0.441 375 E N 4.383 124.299 120.200 -0.473 0.000 2.401 375 E HA 0.489 4.839 4.350 0.000 0.000 0.280 375 E C -2.008 174.365 176.600 -0.377 0.000 1.039 375 E CA -1.193 55.075 56.400 -0.220 0.000 0.814 375 E CB 2.151 31.767 29.700 -0.140 0.000 1.275 375 E HN 0.366 nan 8.360 nan 0.000 0.448 376 M N 2.074 121.614 119.600 -0.100 0.000 2.336 376 M HA 0.535 5.016 4.480 0.000 0.000 0.342 376 M C -0.750 175.656 176.300 0.176 0.000 1.128 376 M CA -0.640 54.653 55.300 -0.011 0.000 1.016 376 M CB 0.882 33.521 32.600 0.065 0.000 1.665 376 M HN 0.620 nan 8.290 nan 0.000 0.445 377 I N 1.707 122.351 120.570 0.123 0.000 2.582 377 I HA 0.359 4.529 4.170 0.000 0.000 0.292 377 I C -1.073 175.012 176.117 -0.054 0.000 1.066 377 I CA -0.526 60.741 61.300 -0.055 0.000 1.053 377 I CB 2.532 40.271 38.000 -0.434 0.000 1.241 377 I HN 0.727 nan 8.210 nan 0.000 0.421 378 W N 7.431 128.422 121.300 -0.516 0.000 2.298 378 W HA 0.301 4.962 4.660 0.000 0.000 0.327 378 W C -0.967 175.340 176.519 -0.353 0.000 0.988 378 W CA -0.494 56.336 57.345 -0.858 0.000 1.448 378 W CB 1.012 29.677 29.460 -1.325 0.000 1.243 378 W HN 0.471 nan 8.180 nan 0.000 0.388 379 D N 9.118 129.137 120.400 -0.635 0.000 2.456 379 D HA 0.188 4.829 4.640 0.000 0.000 0.219 379 D C -2.185 173.489 176.300 -1.044 0.000 1.126 379 D CA -2.371 51.275 54.000 -0.592 0.000 0.890 379 D CB 1.299 41.923 40.800 -0.293 0.000 1.025 379 D HN 0.120 nan 8.370 nan 0.000 0.511 380 P HA 0.043 nan 4.420 nan 0.000 0.265 380 P C -0.632 176.356 177.300 -0.519 0.000 1.222 380 P CA 0.091 62.472 63.100 -1.199 0.000 0.767 380 P CB -0.098 31.164 31.700 -0.730 0.000 0.801 381 N N 1.869 120.357 118.700 -0.354 0.000 2.753 381 N HA -0.129 4.611 4.740 0.000 0.000 0.252 381 N C 0.646 176.097 175.510 -0.099 0.000 1.071 381 N CA 0.404 53.378 53.050 -0.126 0.000 0.690 381 N CB -1.517 36.920 38.487 -0.085 0.000 0.906 381 N HN 0.699 nan 8.380 nan 0.000 0.552 382 G N -1.048 107.700 108.800 -0.087 0.000 3.228 382 G HA2 -0.046 3.914 3.960 0.000 0.000 0.245 382 G HA3 -0.046 3.914 3.960 0.000 0.000 0.245 382 G C 0.736 175.649 174.900 0.022 0.000 1.051 382 G CA -0.180 44.876 45.100 -0.075 0.000 0.809 382 G HN 0.579 nan 8.290 nan 0.000 0.531 383 W N 2.473 123.721 121.300 -0.087 0.000 2.476 383 W HA -0.025 4.635 4.660 0.000 0.000 0.281 383 W C 1.427 177.949 176.519 0.004 0.000 1.230 383 W CA 1.877 59.196 57.345 -0.044 0.000 1.287 383 W CB 0.106 29.523 29.460 -0.071 0.000 1.108 383 W HN 0.243 nan 8.180 nan 0.000 0.567 384 T N -2.682 112.001 114.554 0.215 0.000 2.975 384 T HA 0.166 4.516 4.350 0.000 0.000 0.261 384 T C 0.156 174.895 174.700 0.065 0.000 0.984 384 T CA -0.117 62.077 62.100 0.156 0.000 0.911 384 T CB 0.496 69.493 68.868 0.215 0.000 1.127 384 T HN -0.246 nan 8.240 nan 0.000 0.514 385 E N 1.836 122.052 120.200 0.027 0.000 2.212 385 E HA 0.471 4.821 4.350 0.000 0.000 0.270 385 E C -0.940 175.635 176.600 -0.043 0.000 0.956 385 E CA -0.467 55.926 56.400 -0.011 0.000 0.825 385 E CB 1.804 31.488 29.700 -0.027 0.000 1.167 385 E HN 0.035 nan 8.360 nan 0.000 0.400 386 T N 2.800 117.325 114.554 -0.047 0.000 3.029 386 T HA 0.387 4.737 4.350 0.000 0.000 0.346 386 T C -1.009 173.645 174.700 -0.077 0.000 1.211 386 T CA -0.704 61.356 62.100 -0.067 0.000 1.009 386 T CB -0.231 68.609 68.868 -0.047 0.000 1.084 386 T HN 0.445 nan 8.240 nan 0.000 0.536 387 D N 0.115 120.453 120.400 -0.104 0.000 2.836 387 D HA 0.167 4.807 4.640 0.000 0.000 0.215 387 D C 0.475 176.703 176.300 -0.121 0.000 1.255 387 D CA -0.846 53.094 54.000 -0.099 0.000 0.822 387 D CB 0.485 41.237 40.800 -0.081 0.000 1.656 387 D HN 0.126 nan 8.370 nan 0.000 0.511 388 S N 0.339 115.971 115.700 -0.114 0.000 2.754 388 S HA 0.211 4.681 4.470 0.000 0.000 0.223 388 S C 0.507 175.109 174.600 0.002 0.000 0.951 388 S CA -0.184 57.959 58.200 -0.095 0.000 0.954 388 S CB -0.951 62.191 63.200 -0.097 0.000 0.780 388 S HN 0.712 nan 8.310 nan 0.000 0.509 389 S N 1.384 117.057 115.700 -0.046 0.000 2.541 389 S HA 0.772 5.242 4.470 0.000 0.000 0.283 389 S C -0.420 174.158 174.600 -0.036 0.000 1.196 389 S CA -0.975 57.162 58.200 -0.106 0.000 1.062 389 S CB 0.438 63.545 63.200 -0.156 0.000 1.009 389 S HN 0.536 nan 8.310 nan 0.000 0.502 390 F N -0.426 119.429 119.950 -0.157 0.000 2.664 390 F HA 0.776 5.303 4.527 0.000 0.000 0.317 390 F C 0.709 176.420 175.800 -0.147 0.000 1.108 390 F CA -1.160 56.720 58.000 -0.200 0.000 0.957 390 F CB 0.875 39.762 39.000 -0.190 0.000 1.365 390 F HN 0.431 nan 8.300 nan 0.000 0.475 391 S N -0.014 115.715 115.700 0.048 0.000 2.370 391 S HA 0.288 4.758 4.470 0.000 0.000 0.214 391 S C 0.421 175.145 174.600 0.207 0.000 1.033 391 S CA 0.556 58.792 58.200 0.060 0.000 0.941 391 S CB 0.198 63.458 63.200 0.101 0.000 0.886 391 S HN 0.387 nan 8.310 nan 0.000 0.521 395 Q N 4.018 123.997 119.800 0.298 0.000 2.320 395 Q HA 0.231 4.571 4.340 0.000 0.000 0.268 395 Q C -1.187 174.961 176.000 0.247 0.000 1.023 395 Q CA -0.741 55.250 55.803 0.313 0.000 0.744 395 Q CB 1.229 30.227 28.738 0.433 0.000 1.246 395 Q HN 0.512 nan 8.270 nan 0.000 0.462 396 D N 4.006 124.546 120.400 0.234 0.000 2.424 396 D HA 0.064 4.704 4.640 0.000 0.000 0.244 396 D C 0.406 176.895 176.300 0.314 0.000 1.134 396 D CA 0.293 54.424 54.000 0.219 0.000 0.881 396 D CB 1.225 42.138 40.800 0.188 0.000 1.191 396 D HN 0.552 nan 8.370 nan 0.000 0.445 397 I N 0.988 121.755 120.570 0.329 0.000 4.338 397 I HA 0.025 4.195 4.170 0.000 0.000 0.315 397 I C -0.159 176.260 176.117 0.502 0.000 1.262 397 I CA 0.456 62.040 61.300 0.473 0.000 1.298 397 I CB 0.839 39.060 38.000 0.368 0.000 1.257 397 I HN 0.128 nan 8.210 nan 0.000 0.444 398 V N 0.962 121.086 119.914 0.350 0.000 2.697 398 V HA 0.688 4.808 4.120 0.000 0.000 0.300 398 V C -0.149 176.025 176.094 0.133 0.000 1.115 398 V CA -1.373 61.073 62.300 0.243 0.000 0.912 398 V CB 1.375 33.378 31.823 0.299 0.000 1.024 398 V HN 0.120 nan 8.190 nan 0.000 0.431 399 A N 4.287 127.127 122.820 0.033 0.000 2.507 399 A HA 0.442 4.762 4.320 0.000 0.000 0.235 399 A C 1.279 178.853 177.584 -0.015 0.000 1.070 399 A CA 0.026 52.060 52.037 -0.005 0.000 0.768 399 A CB 0.012 18.976 19.000 -0.060 0.000 1.011 399 A HN 0.887 nan 8.150 nan 0.000 0.502 400 I N 1.138 121.693 120.570 -0.026 0.000 2.423 400 I HA -0.236 3.934 4.170 0.000 0.000 0.254 400 I C 2.210 178.245 176.117 -0.137 0.000 1.151 400 I CA 1.873 63.140 61.300 -0.055 0.000 1.421 400 I CB -0.994 36.981 38.000 -0.041 0.000 1.079 400 I HN 0.823 nan 8.210 nan 0.000 0.431 401 T N -2.964 111.508 114.554 -0.137 0.000 3.160 401 T HA 0.069 4.420 4.350 0.000 0.000 0.257 401 T C 0.518 175.041 174.700 -0.295 0.000 1.147 401 T CA 0.176 62.157 62.100 -0.199 0.000 1.064 401 T CB -0.301 68.491 68.868 -0.127 0.000 0.949 401 T HN 0.237 nan 8.240 nan 0.000 0.526 402 D N 0.080 120.325 120.400 -0.257 0.000 2.457 402 D HA 0.265 4.905 4.640 0.000 0.000 0.240 402 D C -0.883 175.272 176.300 -0.241 0.000 1.041 402 D CA -0.698 53.151 54.000 -0.251 0.000 0.861 402 D CB 1.453 42.218 40.800 -0.058 0.000 1.394 402 D HN 0.353 nan 8.370 nan 0.000 0.473 403 W N 1.595 122.947 121.300 0.087 0.000 2.253 403 W HA 0.140 4.800 4.660 0.000 0.000 0.322 403 W C 1.417 178.018 176.519 0.136 0.000 1.342 403 W CA -0.189 57.217 57.345 0.101 0.000 1.218 403 W CB 0.700 30.206 29.460 0.076 0.000 1.205 403 W HN 0.280 nan 8.180 nan 0.000 0.551 404 S N 2.163 118.118 115.700 0.425 0.000 3.565 404 S HA 0.982 5.452 4.470 0.000 0.000 0.242 404 S C 0.258 175.068 174.600 0.351 0.000 1.023 404 S CA -0.106 58.303 58.200 0.348 0.000 1.300 404 S CB 1.449 64.865 63.200 0.360 0.000 1.198 404 S HN 0.930 nan 8.310 nan 0.000 0.697 405 G N -0.617 108.391 108.800 0.348 0.000 2.564 405 G HA2 0.285 4.245 3.960 0.000 0.000 0.139 405 G HA3 0.285 4.245 3.960 0.000 0.000 0.139 405 G C -1.642 173.534 174.900 0.459 0.000 1.147 405 G CA -0.687 44.645 45.100 0.387 0.000 1.031 405 G HN 0.582 nan 8.290 nan 0.000 0.482 406 Y N 1.638 122.099 120.300 0.269 0.000 2.511 406 Y HA 0.482 5.032 4.550 0.000 0.000 0.347 406 Y C 1.219 177.224 175.900 0.175 0.000 1.257 406 Y CA 0.011 58.287 58.100 0.294 0.000 1.469 406 Y CB 1.050 39.788 38.460 0.463 0.000 1.353 406 Y HN 0.884 nan 8.280 nan 0.000 0.617 407 S N 0.021 115.694 115.700 -0.044 0.000 2.535 407 S HA 0.864 5.334 4.470 0.000 0.000 0.272 407 S C -0.669 173.375 174.600 -0.926 0.000 1.149 407 S CA -0.404 57.411 58.200 -0.642 0.000 0.888 407 S CB 1.720 64.844 63.200 -0.128 0.000 1.110 407 S HN 1.033 nan 8.310 nan 0.000 0.463 408 G N 0.757 108.379 108.800 -1.963 0.000 2.695 408 G HA2 0.707 4.667 3.960 0.000 0.000 0.290 408 G HA3 0.707 4.667 3.960 0.000 0.000 0.290 408 G C -0.731 173.654 174.900 -0.859 0.000 1.410 408 G CA -0.408 44.119 45.100 -0.955 0.000 0.844 408 G HN 1.427 nan 8.290 nan 0.000 0.478 409 S N -0.986 114.575 115.700 -0.231 0.000 2.617 409 S HA 0.876 5.346 4.470 0.000 0.000 0.283 409 S C -0.590 174.283 174.600 0.455 0.000 1.189 409 S CA -0.583 57.592 58.200 -0.041 0.000 1.036 409 S CB 1.212 64.380 63.200 -0.054 0.000 1.014 409 S HN 1.629 nan 8.310 nan 0.000 0.522 410 F N -0.914 119.227 119.950 0.318 0.000 2.654 410 F HA 0.846 5.373 4.527 0.000 0.000 0.308 410 F C -1.278 174.683 175.800 0.269 0.000 1.108 410 F CA -1.145 57.060 58.000 0.341 0.000 0.957 410 F CB 0.530 39.771 39.000 0.403 0.000 1.309 410 F HN 0.500 nan 8.300 nan 0.000 0.446 411 V N 1.609 121.714 119.914 0.319 0.000 3.998 411 V HA 0.650 4.770 4.120 0.000 0.000 0.297 411 V C 0.310 176.505 176.094 0.168 0.000 1.378 411 V CA -0.063 62.317 62.300 0.133 0.000 0.949 411 V CB 1.242 33.180 31.823 0.191 0.000 1.258 411 V HN 1.468 nan 8.190 nan 0.000 0.471 412 L N -1.271 119.992 121.223 0.068 0.000 2.057 412 L HA -0.233 4.107 4.340 0.000 0.000 0.489 412 L C 1.354 178.245 176.870 0.035 0.000 0.713 412 L CA 2.727 57.598 54.840 0.052 0.000 3.232 412 L CB -1.825 40.268 42.059 0.057 0.000 0.661 412 L HN 0.708 nan 8.230 nan 0.000 0.772 413 T N -0.111 114.462 114.554 0.031 0.000 2.896 413 T HA 0.393 4.743 4.350 0.000 0.000 0.263 413 T C 1.556 176.263 174.700 0.013 0.000 1.050 413 T CA 1.876 63.988 62.100 0.019 0.000 1.140 413 T CB -0.308 68.563 68.868 0.005 0.000 0.877 413 T HN 1.592 nan 8.240 nan 0.000 0.457 414 G N 0.525 109.333 108.800 0.015 0.000 2.175 414 G HA2 -0.189 3.771 3.960 0.000 0.000 0.244 414 G HA3 -0.189 3.771 3.960 0.000 0.000 0.244 414 G C 0.046 174.948 174.900 0.003 0.000 0.982 414 G CA -0.099 45.008 45.100 0.011 0.000 0.641 414 G HN 0.356 nan 8.290 nan 0.000 0.527 415 L N 1.355 122.577 121.223 -0.002 0.000 2.505 415 L HA 0.555 4.895 4.340 0.000 0.000 0.226 415 L C 0.990 177.855 176.870 -0.008 0.000 1.211 415 L CA 0.659 55.492 54.840 -0.011 0.000 0.828 415 L CB 0.586 42.631 42.059 -0.023 0.000 1.331 415 L HN 0.344 nan 8.230 nan 0.000 0.513 416 D N -1.212 119.181 120.400 -0.013 0.000 2.891 416 D HA 0.289 4.929 4.640 0.000 0.000 0.312 416 D C -0.683 175.609 176.300 -0.013 0.000 1.354 416 D CA -0.425 53.570 54.000 -0.009 0.000 0.838 416 D CB -0.170 40.625 40.800 -0.008 0.000 1.117 416 D HN 0.477 nan 8.370 nan 0.000 0.473 417 c N -1.922 116.667 118.600 -0.018 0.000 3.292 417 c HA 0.628 5.198 4.570 0.000 0.000 0.338 417 c C -0.613 173.459 174.090 -0.030 0.000 1.323 417 c CA -1.262 55.052 56.329 -0.025 0.000 1.232 417 c CB 0.342 42.831 42.510 -0.035 0.000 1.517 417 c HN 0.241 nan 8.230 nan 0.000 0.470 418 I N 2.404 122.953 120.570 -0.034 0.000 2.301 418 I HA 0.355 4.525 4.170 0.000 0.000 0.292 418 I C 0.758 176.817 176.117 -0.097 0.000 1.046 418 I CA 0.037 61.315 61.300 -0.037 0.000 1.282 418 I CB 0.580 38.579 38.000 -0.002 0.000 1.409 418 I HN 0.725 nan 8.210 nan 0.000 0.484 419 R N 9.667 130.099 120.500 -0.113 0.000 2.347 419 R HA 0.338 4.678 4.340 0.000 0.000 0.304 419 R C -2.497 173.640 176.300 -0.272 0.000 1.072 419 R CA -1.192 54.794 56.100 -0.190 0.000 0.980 419 R CB 0.828 31.026 30.300 -0.171 0.000 0.986 419 R HN 0.278 nan 8.270 nan 0.000 0.448 420 P HA 0.250 nan 4.420 nan 0.000 0.294 420 P C -0.995 176.081 177.300 -0.373 0.000 1.294 420 P CA -0.486 62.245 63.100 -0.614 0.000 0.827 420 P CB 1.376 32.291 31.700 -1.310 0.000 0.992 421 c N 3.108 121.475 118.600 -0.388 0.000 3.171 421 c HA 0.810 5.380 4.570 0.000 0.000 0.308 421 c C -0.471 173.384 174.090 -0.391 0.000 1.334 421 c CA -0.383 55.612 56.329 -0.556 0.000 1.473 421 c CB 1.310 42.875 42.510 -1.574 0.000 1.866 421 c HN 0.721 nan 8.230 nan 0.000 0.465 422 F N -0.087 119.694 119.950 -0.283 0.000 2.643 422 F HA 0.920 5.447 4.527 0.000 0.000 0.314 422 F C -1.175 174.755 175.800 0.217 0.000 1.096 422 F CA -1.097 56.734 58.000 -0.282 0.000 0.953 422 F CB 0.973 39.325 39.000 -1.081 0.000 1.345 422 F HN 0.829 nan 8.300 nan 0.000 0.468 423 W N 1.107 122.593 121.300 0.311 0.000 2.902 423 W HA 0.867 5.527 4.660 0.000 0.000 0.346 423 W C -2.312 174.335 176.519 0.213 0.000 1.139 423 W CA -1.586 55.889 57.345 0.216 0.000 1.139 423 W CB 1.020 30.585 29.460 0.175 0.000 1.439 423 W HN 0.537 nan 8.180 nan 0.000 0.558 424 V N 1.320 121.541 119.914 0.510 0.000 2.638 424 V HA 0.198 4.318 4.120 0.000 0.000 0.306 424 V C -0.301 176.074 176.094 0.469 0.000 1.052 424 V CA -0.807 61.668 62.300 0.292 0.000 0.885 424 V CB 1.685 33.487 31.823 -0.035 0.000 0.999 424 V HN 0.623 nan 8.190 nan 0.000 0.424 425 E N 4.747 125.267 120.200 0.532 0.000 2.200 425 E HA 0.468 4.818 4.350 0.000 0.000 0.283 425 E C -1.341 175.430 176.600 0.284 0.000 1.015 425 E CA -0.568 56.076 56.400 0.407 0.000 0.819 425 E CB 1.115 31.096 29.700 0.467 0.000 1.081 425 E HN 0.644 nan 8.360 nan 0.000 0.397 426 L N 6.788 128.146 121.223 0.225 0.000 2.272 426 L HA 0.394 4.734 4.340 0.000 0.000 0.284 426 L C -0.081 176.902 176.870 0.188 0.000 1.045 426 L CA -0.581 54.393 54.840 0.224 0.000 0.842 426 L CB 0.627 42.814 42.059 0.214 0.000 1.224 426 L HN 0.515 nan 8.230 nan 0.000 0.430 427 I N 4.348 125.029 120.570 0.185 0.000 2.396 427 I HA 0.253 4.423 4.170 0.000 0.000 0.289 427 I C 0.182 176.297 176.117 -0.003 0.000 1.056 427 I CA -0.249 61.103 61.300 0.086 0.000 1.365 427 I CB 0.349 38.377 38.000 0.047 0.000 1.407 427 I HN 0.502 nan 8.210 nan 0.000 0.509 428 R N 4.517 124.998 120.500 -0.030 0.000 2.711 428 R HA 0.825 5.165 4.340 0.000 0.000 0.284 428 R C 0.252 176.308 176.300 -0.406 0.000 0.968 428 R CA -0.555 55.444 56.100 -0.167 0.000 0.924 428 R CB 1.593 31.909 30.300 0.026 0.000 1.162 428 R HN 0.887 nan 8.270 nan 0.000 0.465 429 G N 1.615 110.005 108.800 -0.683 0.000 2.418 429 G HA2 -0.205 3.755 3.960 0.000 0.000 0.206 429 G HA3 -0.205 3.755 3.960 0.000 0.000 0.206 429 G C -0.875 173.651 174.900 -0.624 0.000 1.202 429 G CA -0.802 43.730 45.100 -0.946 0.000 1.061 429 G HN 0.482 nan 8.290 nan 0.000 0.563 430 R N 1.551 121.743 120.500 -0.513 0.000 2.641 430 R HA 0.396 4.736 4.340 0.000 0.000 0.269 430 R C -1.076 175.064 176.300 -0.267 0.000 1.074 430 R CA -0.523 55.374 56.100 -0.339 0.000 1.133 430 R CB 0.724 30.875 30.300 -0.248 0.000 1.029 430 R HN 0.430 nan 8.270 nan 0.000 0.488 431 P HA 0.019 nan 4.420 nan 0.000 0.255 431 P C -0.028 177.133 177.300 -0.232 0.000 1.248 431 P CA 0.561 63.545 63.100 -0.193 0.000 0.807 431 P CB 0.555 32.181 31.700 -0.122 0.000 1.150 432 K N 0.559 120.747 120.400 -0.353 0.000 2.155 432 K HA 0.060 4.380 4.320 0.000 0.000 0.203 432 K C 1.073 177.477 176.600 -0.327 0.000 1.052 432 K CA 0.854 56.902 56.287 -0.398 0.000 0.948 432 K CB 0.154 32.145 32.500 -0.849 0.000 0.728 432 K HN 0.434 nan 8.250 nan 0.000 0.448 436 T N -0.426 113.944 114.554 -0.308 0.000 2.858 436 T HA 0.739 5.089 4.350 0.000 0.000 0.285 436 T C 1.118 175.637 174.700 -0.301 0.000 1.052 436 T CA -0.602 61.269 62.100 -0.380 0.000 1.009 436 T CB 1.049 69.319 68.868 -0.997 0.000 1.241 436 T HN 1.005 nan 8.240 nan 0.000 0.542 437 I N -2.373 118.111 120.570 -0.144 0.000 3.956 437 I HA 0.456 4.626 4.170 0.000 0.000 0.333 437 I C 0.036 176.183 176.117 0.051 0.000 1.302 437 I CA -0.849 60.449 61.300 -0.003 0.000 1.122 437 I CB -0.011 38.060 38.000 0.118 0.000 1.013 437 I HN 0.606 nan 8.210 nan 0.000 0.405 438 W N 0.419 121.681 121.300 -0.063 0.000 3.040 438 W HA 0.733 5.393 4.660 0.000 0.000 0.344 438 W C -1.431 175.031 176.519 -0.095 0.000 1.201 438 W CA -1.092 56.214 57.345 -0.066 0.000 1.119 438 W CB 0.692 30.113 29.460 -0.065 0.000 1.478 438 W HN -0.324 nan 8.180 nan 0.000 0.586 439 T N 1.577 116.254 114.554 0.205 0.000 2.971 439 T HA 0.505 4.855 4.350 0.000 0.000 0.304 439 T C -1.074 173.795 174.700 0.282 0.000 1.038 439 T CA -0.227 61.913 62.100 0.067 0.000 1.007 439 T CB 2.143 70.989 68.868 -0.037 0.000 1.055 439 T HN 0.601 nan 8.240 nan 0.000 0.451 440 S N 1.091 116.959 115.700 0.280 0.000 2.727 440 S HA 0.917 5.387 4.470 0.000 0.000 0.278 440 S C -1.386 173.291 174.600 0.128 0.000 1.186 440 S CA -0.167 58.151 58.200 0.196 0.000 0.836 440 S CB 1.504 64.815 63.200 0.185 0.000 1.186 440 S HN 1.207 nan 8.310 nan 0.000 0.499 441 G N 0.517 109.359 108.800 0.070 0.000 2.720 441 G HA2 0.578 4.538 3.960 0.000 0.000 0.295 441 G HA3 0.578 4.538 3.960 0.000 0.000 0.295 441 G C -1.354 173.564 174.900 0.031 0.000 1.437 441 G CA -0.337 44.802 45.100 0.065 0.000 0.886 441 G HN 0.716 nan 8.290 nan 0.000 0.509 442 S N -0.724 115.016 115.700 0.066 0.000 2.745 442 S HA 0.882 5.352 4.470 0.000 0.000 0.292 442 S C 0.218 174.862 174.600 0.074 0.000 1.133 442 S CA -0.307 57.922 58.200 0.047 0.000 0.998 442 S CB 1.559 64.808 63.200 0.081 0.000 1.087 442 S HN 1.481 nan 8.310 nan 0.000 0.551 443 S N 0.275 116.007 115.700 0.054 0.000 2.569 443 S HA 0.833 5.303 4.470 0.000 0.000 0.280 443 S C -0.849 173.804 174.600 0.088 0.000 1.111 443 S CA -0.934 57.324 58.200 0.097 0.000 0.887 443 S CB 0.919 64.139 63.200 0.033 0.000 1.095 443 S HN 0.805 nan 8.310 nan 0.000 0.476 444 I N -0.954 119.701 120.570 0.142 0.000 2.894 444 I HA 0.902 5.072 4.170 0.000 0.000 0.302 444 I C -0.885 175.280 176.117 0.079 0.000 1.188 444 I CA -0.917 60.415 61.300 0.053 0.000 1.014 444 I CB 2.241 40.308 38.000 0.110 0.000 1.242 444 I HN 0.901 nan 8.210 nan 0.000 0.430 445 S N 2.285 117.893 115.700 -0.153 0.000 2.579 445 S HA 0.841 5.312 4.470 0.000 0.000 0.272 445 S C -1.315 172.978 174.600 -0.511 0.000 1.141 445 S CA -0.607 57.559 58.200 -0.056 0.000 0.843 445 S CB 1.898 65.261 63.200 0.272 0.000 1.122 445 S HN 0.589 nan 8.310 nan 0.000 0.468 446 F N -0.616 119.098 119.950 -0.394 0.000 2.629 446 F HA 0.803 5.330 4.527 0.000 0.000 0.316 446 F C -0.051 175.614 175.800 -0.224 0.000 1.081 446 F CA -0.888 56.920 58.000 -0.321 0.000 0.954 446 F CB 1.749 40.462 39.000 -0.478 0.000 1.337 446 F HN 0.839 nan 8.300 nan 0.000 0.474 447 c N 0.363 119.044 118.600 0.135 0.000 2.889 447 c HA 0.654 5.224 4.570 0.000 0.000 0.307 447 c C 1.501 175.579 174.090 -0.019 0.000 1.251 447 c CA -0.257 56.062 56.329 -0.016 0.000 1.593 447 c CB 1.295 43.672 42.510 -0.222 0.000 2.104 447 c HN 1.083 nan 8.230 nan 0.000 0.476 448 G N 0.997 109.649 108.800 -0.246 0.000 2.976 448 G HA2 0.036 3.997 3.960 0.000 0.000 0.211 448 G HA3 0.036 3.997 3.960 0.000 0.000 0.211 448 G C 0.326 174.882 174.900 -0.575 0.000 1.319 448 G CA 1.825 46.571 45.100 -0.590 0.000 0.773 448 G HN 1.541 nan 8.290 nan 0.000 0.769 449 V N -0.651 119.039 119.914 -0.373 0.000 3.501 449 V HA -0.180 3.940 4.120 0.000 0.000 0.501 449 V C 0.805 176.714 176.094 -0.309 0.000 0.682 449 V CA 0.452 62.582 62.300 -0.282 0.000 2.051 449 V CB -0.524 31.177 31.823 -0.203 0.000 2.483 449 V HN 0.795 nan 8.190 nan 0.000 0.508 450 N N 0.342 118.917 118.700 -0.208 0.000 2.454 450 N HA 0.051 4.791 4.740 0.000 0.000 0.177 450 N C 0.972 176.405 175.510 -0.128 0.000 1.049 450 N CA 0.904 53.846 53.050 -0.180 0.000 0.887 450 N CB 0.470 38.874 38.487 -0.138 0.000 1.095 450 N HN 0.975 nan 8.380 nan 0.000 0.446 451 S N 0.536 116.177 115.700 -0.098 0.000 2.612 451 S HA 0.062 4.532 4.470 0.000 0.000 0.253 451 S C 0.183 174.752 174.600 -0.052 0.000 1.346 451 S CA -0.470 57.694 58.200 -0.060 0.000 0.976 451 S CB 0.775 63.950 63.200 -0.042 0.000 0.949 451 S HN 0.094 nan 8.310 nan 0.000 0.584 452 D N -0.172 120.216 120.400 -0.020 0.000 2.383 452 D HA 0.593 5.233 4.640 0.000 0.000 0.248 452 D C 0.376 176.693 176.300 0.028 0.000 1.170 452 D CA 0.180 54.182 54.000 0.002 0.000 0.977 452 D CB 0.941 41.752 40.800 0.018 0.000 1.120 452 D HN 0.824 nan 8.370 nan 0.000 0.481 453 T N -2.632 111.961 114.554 0.065 0.000 2.681 453 T HA 0.684 5.034 4.350 0.000 0.000 0.296 453 T C -0.673 174.124 174.700 0.162 0.000 1.157 453 T CA -0.661 61.514 62.100 0.125 0.000 1.025 453 T CB 0.749 69.704 68.868 0.145 0.000 1.441 453 T HN 0.543 nan 8.240 nan 0.000 0.504 454 V N -2.465 117.594 119.914 0.242 0.000 3.048 454 V HA 0.929 5.049 4.120 0.000 0.000 0.303 454 V C 0.111 176.430 176.094 0.376 0.000 1.214 454 V CA -0.586 61.858 62.300 0.240 0.000 0.984 454 V CB 1.287 33.197 31.823 0.146 0.000 1.054 454 V HN 1.455 nan 8.190 nan 0.000 0.430 455 G N 1.033 110.030 108.800 0.328 0.000 2.504 455 G HA2 0.662 4.622 3.960 0.000 0.000 0.288 455 G HA3 0.662 4.622 3.960 0.000 0.000 0.288 455 G C -1.343 173.777 174.900 0.367 0.000 1.182 455 G CA -0.240 45.098 45.100 0.397 0.000 0.894 455 G HN 1.226 nan 8.290 nan 0.000 0.521 456 W N -0.839 120.461 121.300 -0.001 0.000 2.751 456 W HA 0.578 5.238 4.660 0.000 0.000 0.442 456 W C -1.091 175.229 176.519 -0.332 0.000 0.975 456 W CA -0.752 56.384 57.345 -0.348 0.000 1.313 456 W CB 0.905 29.857 29.460 -0.846 0.000 1.410 456 W HN 0.704 nan 8.180 nan 0.000 0.636 457 S N 1.690 116.879 115.700 -0.851 0.000 2.707 457 S HA 0.529 5.000 4.470 0.000 0.000 0.303 457 S C -1.563 172.591 174.600 -0.743 0.000 1.132 457 S CA -0.414 57.445 58.200 -0.568 0.000 1.046 457 S CB 0.212 63.131 63.200 -0.468 0.000 1.004 457 S HN 0.313 nan 8.310 nan 0.000 0.483 458 W N 6.934 128.230 121.300 -0.008 0.000 2.149 458 W HA 0.290 4.950 4.660 0.000 0.000 0.291 458 W C -2.494 174.064 176.519 0.064 0.000 0.875 458 W CA -1.759 55.605 57.345 0.031 0.000 1.885 458 W CB 0.634 30.218 29.460 0.208 0.000 2.062 458 W HN 0.531 nan 8.180 nan 0.000 0.391 459 P HA 0.020 nan 4.420 nan 0.000 0.286 459 P C 0.644 178.042 177.300 0.162 0.000 1.293 459 P CA 0.227 63.413 63.100 0.144 0.000 0.770 459 P CB 1.621 33.354 31.700 0.056 0.000 1.206 460 D N -1.074 119.427 120.400 0.168 0.000 2.097 460 D HA -0.049 4.591 4.640 0.000 0.000 0.197 460 D C 1.421 177.806 176.300 0.142 0.000 0.984 460 D CA 2.169 56.268 54.000 0.165 0.000 0.826 460 D CB -0.734 40.180 40.800 0.190 0.000 0.973 460 D HN 0.662 nan 8.370 nan 0.000 0.460 461 G N -0.542 108.339 108.800 0.135 0.000 2.179 461 G HA2 -0.194 3.766 3.960 0.000 0.000 0.260 461 G HA3 -0.194 3.766 3.960 0.000 0.000 0.260 461 G C 0.361 175.349 174.900 0.146 0.000 0.977 461 G CA 0.482 45.652 45.100 0.116 0.000 0.641 461 G HN 0.764 nan 8.290 nan 0.000 0.533 462 A N 0.248 123.183 122.820 0.192 0.000 2.316 462 A HA 0.682 5.002 4.320 0.000 0.000 0.284 462 A C 0.390 178.139 177.584 0.274 0.000 1.115 462 A CA 0.391 52.587 52.037 0.266 0.000 0.812 462 A CB 0.381 19.575 19.000 0.323 0.000 1.064 462 A HN 1.118 nan 8.150 nan 0.000 0.489 463 E N 2.616 123.008 120.200 0.320 0.000 2.113 463 E HA 0.581 4.931 4.350 0.000 0.000 0.273 463 E C -1.169 175.659 176.600 0.380 0.000 0.924 463 E CA -0.546 56.016 56.400 0.270 0.000 0.764 463 E CB 0.853 30.661 29.700 0.180 0.000 1.104 463 E HN 0.519 nan 8.360 nan 0.000 0.406 464 L N 3.756 125.150 121.223 0.285 0.000 2.387 464 L HA 0.535 4.875 4.340 0.000 0.000 0.266 464 L C -1.400 175.594 176.870 0.206 0.000 1.059 464 L CA -2.128 52.877 54.840 0.274 0.000 0.801 464 L CB 0.502 42.615 42.059 0.089 0.000 1.223 464 L HN 0.649 nan 8.230 nan 0.000 0.456 465 P HA 0.323 nan 4.420 nan 0.000 0.289 465 P C -1.103 176.506 177.300 0.515 0.000 1.299 465 P CA -0.311 62.948 63.100 0.264 0.000 0.766 465 P CB 0.797 32.597 31.700 0.167 0.000 1.226 466 F N -1.325 118.771 119.950 0.243 0.000 2.525 466 F HA 0.226 4.753 4.527 0.000 0.000 0.346 466 F C 2.045 177.911 175.800 0.109 0.000 1.072 466 F CA -1.056 57.043 58.000 0.164 0.000 1.033 466 F CB -0.311 38.774 39.000 0.142 0.000 1.324 466 F HN 0.191 nan 8.300 nan 0.000 0.491 467 T N 1.520 116.191 114.554 0.195 0.000 2.969 467 T HA -0.038 4.312 4.350 0.000 0.000 0.271 467 T C 0.704 175.483 174.700 0.130 0.000 1.127 467 T CA 1.127 63.285 62.100 0.097 0.000 1.102 467 T CB -0.742 68.134 68.868 0.012 0.000 0.855 467 T HN 0.367 nan 8.240 nan 0.000 0.536 468 I N 0.000 120.699 120.570 0.216 0.000 2.984 468 I HA 0.000 4.170 4.170 0.000 0.000 0.288 468 I CA 0.000 61.423 61.300 0.205 0.000 1.566 468 I CB 0.000 38.094 38.000 0.157 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494