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 1hr7_1_F DATA FIRST_RESID 23 DATA SEQUENCE IPGTRTSKLP NGLTIATEYI PNTSSATVGI FVDAGSRAEN VKNNGTAHFL DATA SEQUENCE QHLAFKGTQN RPQQGIELEI ENIGSHLNAY TSRENTVYYA KSLQEDIPKA DATA SEQUENCE VDILSDILTK SVLDNSAIER ERDVIIRESE EVDKMYDEVV FDHLHEITYK DATA SEQUENCE DQPLGRTILG PIKNIKSITR TDLKDYITKN YKGDRMVLAG AGAVDHEKLV DATA SEQUENCE QYAQKYFGHV PKSESPVPLG SPRGPLPVFC RGERFIKENT LPTTHIAIAL DATA SEQUENCE EGVSWSAPDY FVALATQAIV GNWDRAIGTG TNSPSPLAVA ASQNGSLANS DATA SEQUENCE YMSFSTSYAD SGLWGMYIVT DSNEHNVRLI VNEILKEWKR IKSGKISDAE DATA SEQUENCE VNRAKAQLKA ALLLSLDGST AIVEDIGRQV VTTGKRLSPE EVFEQVDKIT DATA SEQUENCE KDDIIMWANY RLQNKPVSMV ALGNTSTVPN VSYIEEKLNQ 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 23 I HA 0.000 nan 4.170 nan 0.000 0.288 23 I C 0.000 176.125 176.117 0.013 0.000 1.063 23 I CA 0.000 61.302 61.300 0.003 0.000 1.566 23 I CB 0.000 37.991 38.000 -0.015 0.000 1.214 24 P HA 0.275 nan 4.420 nan 0.000 0.260 24 P C 0.307 177.619 177.300 0.021 0.000 1.185 24 P CA 0.134 63.263 63.100 0.048 0.000 0.763 24 P CB 0.560 32.311 31.700 0.084 0.000 0.776 25 G N 1.365 110.171 108.800 0.010 0.000 2.557 25 G HA2 0.480 4.440 3.960 -0.000 0.000 0.302 25 G HA3 0.480 4.440 3.960 -0.000 0.000 0.302 25 G C -0.816 174.072 174.900 -0.021 0.000 1.311 25 G CA -0.585 44.509 45.100 -0.010 0.000 1.030 25 G HN 0.405 nan 8.290 nan 0.000 0.509 26 T N 1.801 116.331 114.554 -0.040 0.000 2.733 26 T HA 0.364 4.714 4.350 -0.000 0.000 0.294 26 T C 0.193 174.821 174.700 -0.119 0.000 0.956 26 T CA -0.420 61.642 62.100 -0.063 0.000 0.987 26 T CB 0.568 69.402 68.868 -0.056 0.000 0.920 26 T HN 0.321 nan 8.240 nan 0.000 0.470 27 R N 2.687 123.060 120.500 -0.213 0.000 2.441 27 R HA 0.542 4.882 4.340 -0.000 0.000 0.284 27 R C -0.164 175.878 176.300 -0.431 0.000 1.070 27 R CA -0.452 55.394 56.100 -0.423 0.000 1.047 27 R CB 0.561 30.381 30.300 -0.800 0.000 1.016 27 R HN 0.476 nan 8.270 nan 0.000 0.477 28 T N 0.404 114.803 114.554 -0.257 0.000 2.907 28 T HA 0.507 4.857 4.350 -0.000 0.000 0.292 28 T C -0.629 174.141 174.700 0.117 0.000 1.043 28 T CA -0.592 61.490 62.100 -0.031 0.000 1.003 28 T CB 1.989 70.840 68.868 -0.028 0.000 1.084 28 T HN 0.472 nan 8.240 nan 0.000 0.483 29 S N 1.173 116.977 115.700 0.174 0.000 2.535 29 S HA 0.474 4.944 4.470 -0.000 0.000 0.272 29 S C -1.274 173.362 174.600 0.060 0.000 1.149 29 S CA -0.888 57.395 58.200 0.137 0.000 0.888 29 S CB 1.996 65.302 63.200 0.177 0.000 1.110 29 S HN 0.559 nan 8.310 nan 0.000 0.463 30 K N 1.673 122.092 120.400 0.032 0.000 2.244 30 K HA 0.573 4.893 4.320 -0.000 0.000 0.260 30 K C -1.152 175.452 176.600 0.006 0.000 0.951 30 K CA -0.746 55.548 56.287 0.012 0.000 0.826 30 K CB 1.068 33.572 32.500 0.007 0.000 1.108 30 K HN 0.349 nan 8.250 nan 0.000 0.433 31 L N 5.190 126.414 121.223 0.001 0.000 2.439 31 L HA 0.268 4.608 4.340 -0.000 0.000 0.261 31 L C -1.328 175.545 176.870 0.004 0.000 1.153 31 L CA -1.684 53.158 54.840 0.004 0.000 0.808 31 L CB 0.644 42.709 42.059 0.010 0.000 1.126 31 L HN 0.590 nan 8.230 nan 0.000 0.460 32 P HA -0.173 nan 4.420 nan 0.000 0.216 32 P C 0.423 177.726 177.300 0.006 0.000 1.150 32 P CA 1.382 64.485 63.100 0.005 0.000 0.837 32 P CB -0.122 31.581 31.700 0.005 0.000 0.786 33 N N -1.000 117.705 118.700 0.008 0.000 2.515 33 N HA 0.072 4.812 4.740 -0.000 0.000 0.191 33 N C 1.362 176.873 175.510 0.002 0.000 1.182 33 N CA 0.933 53.987 53.050 0.007 0.000 0.879 33 N CB -0.798 37.694 38.487 0.008 0.000 0.984 33 N HN 0.288 nan 8.380 nan 0.000 0.453 34 G N -0.488 108.312 108.800 -0.000 0.000 2.279 34 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.223 34 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.223 34 G C -0.117 174.774 174.900 -0.014 0.000 1.015 34 G CA -0.002 45.095 45.100 -0.005 0.000 0.621 34 G HN 0.506 nan 8.290 nan 0.000 0.506 35 L N 3.271 124.481 121.223 -0.021 0.000 2.615 35 L HA 0.484 4.824 4.340 -0.000 0.000 0.284 35 L C 0.499 177.345 176.870 -0.041 0.000 1.237 35 L CA 1.193 56.005 54.840 -0.047 0.000 0.905 35 L CB 0.362 42.383 42.059 -0.063 0.000 1.149 35 L HN 0.259 nan 8.230 nan 0.000 0.499 36 T N 6.587 121.111 114.554 -0.051 0.000 2.875 36 T HA 0.550 4.900 4.350 -0.000 0.000 0.284 36 T C -0.172 174.507 174.700 -0.035 0.000 0.995 36 T CA -0.369 61.710 62.100 -0.034 0.000 1.060 36 T CB 1.087 69.931 68.868 -0.039 0.000 0.967 36 T HN 0.353 nan 8.240 nan 0.000 0.476 37 I N 2.771 123.347 120.570 0.011 0.000 2.390 37 I HA 0.536 4.706 4.170 -0.000 0.000 0.283 37 I C 0.101 176.303 176.117 0.142 0.000 1.016 37 I CA -1.075 60.252 61.300 0.045 0.000 1.151 37 I CB 0.453 38.463 38.000 0.017 0.000 1.293 37 I HN 0.683 nan 8.210 nan 0.000 0.458 38 A N 4.434 127.298 122.820 0.074 0.000 2.318 38 A HA 0.840 5.160 4.320 -0.000 0.000 0.324 38 A C -0.165 177.466 177.584 0.078 0.000 1.170 38 A CA -0.484 51.582 52.037 0.049 0.000 0.810 38 A CB 1.542 20.512 19.000 -0.050 0.000 1.198 38 A HN 0.613 nan 8.150 nan 0.000 0.484 39 T N 0.855 115.457 114.554 0.079 0.000 2.916 39 T HA 0.549 4.899 4.350 -0.000 0.000 0.305 39 T C -1.557 173.171 174.700 0.048 0.000 1.119 39 T CA -0.391 61.776 62.100 0.112 0.000 1.008 39 T CB 1.426 70.472 68.868 0.297 0.000 1.129 39 T HN 0.723 nan 8.240 nan 0.000 0.480 40 E N 2.673 122.914 120.200 0.069 0.000 2.283 40 E HA 0.279 4.629 4.350 -0.000 0.000 0.258 40 E C -1.672 174.991 176.600 0.104 0.000 0.893 40 E CA -0.662 55.774 56.400 0.061 0.000 0.798 40 E CB 1.044 30.755 29.700 0.019 0.000 1.242 40 E HN 0.649 nan 8.360 nan 0.000 0.414 41 Y N 5.646 125.957 120.300 0.018 0.000 2.425 41 Y HA 0.219 4.769 4.550 -0.000 0.000 0.331 41 Y C -0.641 175.271 175.900 0.019 0.000 1.157 41 Y CA -0.185 57.931 58.100 0.028 0.000 1.372 41 Y CB 0.501 38.978 38.460 0.028 0.000 1.253 41 Y HN 0.373 nan 8.280 nan 0.000 0.536 42 I N 9.069 129.200 120.570 -0.732 0.000 2.354 42 I HA 0.296 4.465 4.170 -0.000 0.000 0.286 42 I C -2.426 173.142 176.117 -0.915 0.000 1.007 42 I CA -2.921 58.031 61.300 -0.580 0.000 1.167 42 I CB 0.895 38.723 38.000 -0.287 0.000 1.320 42 I HN 0.534 nan 8.210 nan 0.000 0.458 43 P HA 0.100 nan 4.420 nan 0.000 0.267 43 P C -0.105 177.100 177.300 -0.159 0.000 1.200 43 P CA 0.166 63.094 63.100 -0.287 0.000 0.772 43 P CB 0.229 31.933 31.700 0.007 0.000 0.855 44 N N -1.298 117.379 118.700 -0.038 0.000 2.727 44 N HA -0.123 4.617 4.740 -0.000 0.000 0.251 44 N C -0.651 174.835 175.510 -0.040 0.000 1.040 44 N CA 0.597 53.638 53.050 -0.015 0.000 0.712 44 N CB -1.311 37.169 38.487 -0.011 0.000 0.912 44 N HN 0.642 nan 8.380 nan 0.000 0.545 45 T N -4.360 110.164 114.554 -0.048 0.000 2.883 45 T HA 0.631 4.980 4.350 -0.000 0.000 0.301 45 T C 0.225 174.928 174.700 0.005 0.000 1.158 45 T CA -0.700 61.376 62.100 -0.039 0.000 1.007 45 T CB 2.245 71.062 68.868 -0.085 0.000 1.186 45 T HN -0.079 nan 8.240 nan 0.000 0.499 46 S N 0.561 116.271 115.700 0.016 0.000 2.937 46 S HA 0.442 4.912 4.470 -0.000 0.000 0.252 46 S C 0.106 174.728 174.600 0.036 0.000 1.022 46 S CA -0.420 57.801 58.200 0.035 0.000 1.079 46 S CB 0.051 63.271 63.200 0.033 0.000 1.035 46 S HN 1.065 nan 8.310 nan 0.000 0.594 47 S N 0.706 116.425 115.700 0.031 0.000 2.661 47 S HA 0.995 5.465 4.470 -0.000 0.000 0.285 47 S C -0.615 174.010 174.600 0.042 0.000 1.138 47 S CA -0.728 57.496 58.200 0.040 0.000 0.855 47 S CB 2.033 65.259 63.200 0.042 0.000 1.136 47 S HN 0.478 nan 8.310 nan 0.000 0.484 48 A N 0.287 123.142 122.820 0.059 0.000 2.536 48 A HA 0.878 5.198 4.320 -0.000 0.000 0.293 48 A C -1.071 176.569 177.584 0.093 0.000 1.119 48 A CA -0.821 51.256 52.037 0.067 0.000 0.654 48 A CB 1.125 20.169 19.000 0.074 0.000 1.291 48 A HN 0.869 nan 8.150 nan 0.000 0.439 49 T N 0.428 115.046 114.554 0.107 0.000 2.881 49 T HA 0.622 4.972 4.350 -0.000 0.000 0.290 49 T C -1.183 173.612 174.700 0.159 0.000 1.000 49 T CA -0.318 61.873 62.100 0.152 0.000 0.978 49 T CB 1.404 70.365 68.868 0.154 0.000 0.997 49 T HN 0.868 nan 8.240 nan 0.000 0.443 50 V N 1.835 121.861 119.914 0.186 0.000 2.656 50 V HA 0.946 5.066 4.120 -0.000 0.000 0.307 50 V C 0.269 176.506 176.094 0.239 0.000 1.051 50 V CA -0.652 61.758 62.300 0.183 0.000 0.893 50 V CB 2.091 33.999 31.823 0.142 0.000 0.999 50 V HN 1.083 nan 8.190 nan 0.000 0.426 51 G N 2.718 111.676 108.800 0.264 0.000 2.719 51 G HA2 0.663 4.622 3.960 -0.000 0.000 0.298 51 G HA3 0.663 4.622 3.960 -0.000 0.000 0.298 51 G C -1.995 173.057 174.900 0.254 0.000 1.411 51 G CA -0.618 44.641 45.100 0.265 0.000 0.991 51 G HN 0.575 nan 8.290 nan 0.000 0.509 52 I N 1.263 121.882 120.570 0.082 0.000 2.330 52 I HA 0.695 4.865 4.170 -0.000 0.000 0.289 52 I C -1.475 174.620 176.117 -0.037 0.000 1.001 52 I CA -1.731 59.588 61.300 0.032 0.000 1.193 52 I CB 0.370 38.340 38.000 -0.049 0.000 1.345 52 I HN 0.208 nan 8.210 nan 0.000 0.461 53 F N 6.644 126.536 119.950 -0.098 0.000 2.436 53 F HA 0.604 5.131 4.527 -0.000 0.000 0.340 53 F C -0.096 175.646 175.800 -0.097 0.000 1.113 53 F CA -0.844 57.103 58.000 -0.088 0.000 1.022 53 F CB 1.603 40.553 39.000 -0.084 0.000 1.128 53 F HN 0.052 nan 8.300 nan 0.000 0.466 54 V N 1.819 121.768 119.914 0.059 0.000 2.487 54 V HA 0.204 4.324 4.120 -0.000 0.000 0.298 54 V C -0.567 175.572 176.094 0.076 0.000 1.028 54 V CA -1.005 61.304 62.300 0.016 0.000 0.860 54 V CB 1.751 33.518 31.823 -0.093 0.000 0.991 54 V HN 0.638 nan 8.190 nan 0.000 0.427 55 D N 4.021 124.463 120.400 0.070 0.000 2.441 55 D HA 0.512 5.152 4.640 -0.000 0.000 0.243 55 D C 0.363 176.724 176.300 0.101 0.000 1.257 55 D CA 0.860 54.911 54.000 0.085 0.000 1.027 55 D CB 0.660 41.495 40.800 0.059 0.000 1.084 55 D HN 0.704 nan 8.370 nan 0.000 0.514 56 A N 2.527 125.435 122.820 0.147 0.000 1.681 56 A HA 0.762 5.082 4.320 -0.000 0.000 0.160 56 A C 1.218 178.950 177.584 0.247 0.000 1.621 56 A CA 0.397 52.552 52.037 0.198 0.000 1.937 56 A CB -0.399 18.795 19.000 0.324 0.000 1.902 56 A HN 1.109 nan 8.150 nan 0.000 1.132 57 G N -0.509 108.482 108.800 0.318 0.000 2.749 57 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.242 57 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.242 57 G C 0.969 176.024 174.900 0.258 0.000 1.364 57 G CA 1.027 46.277 45.100 0.250 0.000 0.888 57 G HN 2.014 nan 8.290 nan 0.000 0.566 58 S N -0.362 115.431 115.700 0.156 0.000 2.474 58 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 58 S C 2.062 176.724 174.600 0.103 0.000 0.997 58 S CA 1.507 59.781 58.200 0.123 0.000 0.949 58 S CB -0.204 63.030 63.200 0.057 0.000 0.766 58 S HN 1.260 nan 8.310 nan 0.000 0.517 59 R N 1.003 121.547 120.500 0.074 0.000 2.339 59 R HA 0.302 4.642 4.340 -0.000 0.000 0.199 59 R C 1.518 177.851 176.300 0.055 0.000 1.018 59 R CA 0.849 56.962 56.100 0.021 0.000 1.036 59 R CB -0.425 29.854 30.300 -0.034 0.000 0.899 59 R HN 0.414 nan 8.270 nan 0.000 0.473 60 A N 0.717 123.610 122.820 0.123 0.000 2.387 60 A HA 0.171 4.491 4.320 -0.000 0.000 0.234 60 A C -0.286 177.384 177.584 0.144 0.000 1.253 60 A CA -0.441 51.652 52.037 0.093 0.000 0.894 60 A CB 0.083 19.104 19.000 0.034 0.000 0.963 60 A HN 0.450 nan 8.150 nan 0.000 0.508 61 E N 0.182 120.488 120.200 0.176 0.000 2.254 61 E HA 0.441 4.791 4.350 -0.000 0.000 0.258 61 E C -0.652 176.000 176.600 0.087 0.000 1.033 61 E CA -0.847 55.653 56.400 0.167 0.000 0.893 61 E CB 0.719 30.515 29.700 0.160 0.000 1.204 61 E HN 0.586 nan 8.360 nan 0.000 0.425 62 N N -1.932 116.811 118.700 0.072 0.000 2.890 62 N HA 0.205 4.945 4.740 -0.000 0.000 0.317 62 N C 0.417 175.952 175.510 0.040 0.000 1.355 62 N CA -0.754 52.324 53.050 0.046 0.000 0.803 62 N CB 0.341 38.851 38.487 0.038 0.000 1.465 62 N HN 0.160 nan 8.380 nan 0.000 0.591 63 V N -0.298 119.635 119.914 0.031 0.000 2.282 63 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 63 V C 1.836 177.946 176.094 0.026 0.000 1.057 63 V CA 1.691 64.007 62.300 0.027 0.000 1.032 63 V CB -0.686 31.151 31.823 0.023 0.000 0.645 63 V HN 0.633 nan 8.190 nan 0.000 0.447 64 K N -0.176 120.239 120.400 0.025 0.000 2.305 64 K HA 0.020 4.340 4.320 -0.000 0.000 0.199 64 K C 1.858 178.472 176.600 0.023 0.000 1.047 64 K CA 0.637 56.937 56.287 0.021 0.000 0.976 64 K CB -0.452 32.057 32.500 0.015 0.000 0.765 64 K HN 0.422 nan 8.250 nan 0.000 0.474 65 N N 1.624 120.345 118.700 0.035 0.000 2.333 65 N HA -0.092 4.648 4.740 -0.000 0.000 0.178 65 N C 0.184 175.724 175.510 0.049 0.000 1.018 65 N CA 0.133 53.211 53.050 0.047 0.000 0.882 65 N CB -0.177 38.357 38.487 0.077 0.000 0.984 65 N HN 0.196 nan 8.380 nan 0.000 0.434 66 N N -0.345 118.385 118.700 0.050 0.000 2.142 66 N HA -0.074 4.666 4.740 -0.000 0.000 0.282 66 N C 0.544 176.086 175.510 0.053 0.000 1.342 66 N CA 0.914 53.993 53.050 0.048 0.000 0.831 66 N CB -0.078 38.431 38.487 0.036 0.000 1.083 66 N HN 0.495 nan 8.380 nan 0.000 0.492 67 G N 1.874 110.709 108.800 0.058 0.000 2.231 67 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.206 67 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.206 67 G C 0.950 175.919 174.900 0.114 0.000 0.996 67 G CA 0.296 45.456 45.100 0.099 0.000 0.645 67 G HN 0.583 nan 8.290 nan 0.000 0.498 68 T N 1.405 115.964 114.554 0.009 0.000 2.674 68 T HA 0.111 4.461 4.350 -0.000 0.000 0.265 68 T C 2.799 177.367 174.700 -0.220 0.000 1.039 68 T CA 2.661 64.701 62.100 -0.100 0.000 1.150 68 T CB -0.525 68.233 68.868 -0.183 0.000 0.864 68 T HN 1.204 nan 8.240 nan 0.000 0.427 69 A N 1.430 123.995 122.820 -0.425 0.000 1.892 69 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 69 A C 2.137 179.724 177.584 0.004 0.000 1.188 69 A CA 2.212 54.019 52.037 -0.384 0.000 0.631 69 A CB -1.155 17.725 19.000 -0.200 0.000 0.822 69 A HN 0.767 nan 8.150 nan 0.000 0.447 70 H N -2.427 116.642 119.070 -0.001 0.000 2.321 70 H HA -0.172 4.384 4.556 -0.000 0.000 0.300 70 H C 2.023 177.429 175.328 0.130 0.000 1.087 70 H CA 1.905 57.995 56.048 0.069 0.000 1.319 70 H CB -0.298 29.480 29.762 0.026 0.000 1.379 70 H HN 0.421 nan 8.280 nan 0.000 0.501 71 F N 1.461 121.293 119.950 -0.196 0.000 2.065 71 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 71 F C 2.748 178.489 175.800 -0.100 0.000 1.112 71 F CA 1.376 59.225 58.000 -0.252 0.000 1.212 71 F CB -0.765 38.143 39.000 -0.153 0.000 0.975 71 F HN 0.123 nan 8.300 nan 0.000 0.476 72 L N -0.255 121.094 121.223 0.210 0.000 2.081 72 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 72 L C 2.607 179.631 176.870 0.256 0.000 1.080 72 L CA 1.864 56.815 54.840 0.185 0.000 0.754 72 L CB -0.648 41.478 42.059 0.111 0.000 0.893 72 L HN 0.322 nan 8.230 nan 0.000 0.433 73 Q N -0.836 119.112 119.800 0.246 0.000 2.084 73 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 73 Q C 2.109 178.316 176.000 0.345 0.000 0.978 73 Q CA 1.484 57.466 55.803 0.298 0.000 0.844 73 Q CB -0.073 28.766 28.738 0.169 0.000 0.898 73 Q HN 0.628 nan 8.270 nan 0.000 0.426 74 H N -0.419 118.688 119.070 0.062 0.000 2.321 74 H HA -0.122 4.434 4.556 -0.000 0.000 0.300 74 H C 2.098 177.544 175.328 0.197 0.000 1.087 74 H CA 1.184 57.270 56.048 0.064 0.000 1.319 74 H CB 0.334 29.991 29.762 -0.175 0.000 1.379 74 H HN 0.231 nan 8.280 nan 0.000 0.501 75 L N 0.784 122.191 121.223 0.307 0.000 2.141 75 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 75 L C 2.707 179.673 176.870 0.161 0.000 1.094 75 L CA 1.265 56.242 54.840 0.228 0.000 0.763 75 L CB -1.167 41.016 42.059 0.206 0.000 0.908 75 L HN 0.182 nan 8.230 nan 0.000 0.437 76 A N -1.735 121.167 122.820 0.137 0.000 2.186 76 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 76 A C 1.718 179.144 177.584 -0.263 0.000 1.159 76 A CA 1.282 53.270 52.037 -0.082 0.000 0.680 76 A CB -0.847 18.072 19.000 -0.135 0.000 0.787 76 A HN 0.400 nan 8.150 nan 0.000 0.467 77 F N -1.286 118.700 119.950 0.061 0.000 2.678 77 F HA 0.213 4.740 4.527 -0.000 0.000 0.305 77 F C 1.456 177.263 175.800 0.013 0.000 1.090 77 F CA 0.082 58.097 58.000 0.024 0.000 1.272 77 F CB 0.688 39.691 39.000 0.006 0.000 1.060 77 F HN -0.069 nan 8.300 nan 0.000 0.576 78 K N 0.650 121.143 120.400 0.155 0.000 2.404 78 K HA 0.428 4.747 4.320 -0.000 0.000 0.194 78 K C 0.630 177.262 176.600 0.053 0.000 1.023 78 K CA 0.430 56.780 56.287 0.104 0.000 1.094 78 K CB 0.142 32.705 32.500 0.104 0.000 0.841 78 K HN 0.239 nan 8.250 nan 0.000 0.523 79 G N 1.051 109.866 108.800 0.025 0.000 2.535 79 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.662 79 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.662 79 G C -0.508 174.377 174.900 -0.024 0.000 1.417 79 G CA -0.528 44.571 45.100 -0.001 0.000 0.866 79 G HN 0.071 nan 8.290 nan 0.000 0.647 80 T N -1.305 113.225 114.554 -0.039 0.000 2.927 80 T HA 0.623 4.973 4.350 -0.000 0.000 0.286 80 T C 1.078 175.753 174.700 -0.042 0.000 1.040 80 T CA -0.306 61.763 62.100 -0.052 0.000 1.010 80 T CB 1.915 70.736 68.868 -0.079 0.000 1.177 80 T HN 0.603 nan 8.240 nan 0.000 0.546 81 Q N 0.296 120.070 119.800 -0.045 0.000 2.541 81 Q HA 0.070 4.410 4.340 -0.000 0.000 0.215 81 Q C 0.872 176.847 176.000 -0.042 0.000 0.977 81 Q CA 0.595 56.374 55.803 -0.039 0.000 0.934 81 Q CB -0.145 28.568 28.738 -0.042 0.000 0.988 81 Q HN 0.502 nan 8.270 nan 0.000 0.521 82 N N -0.126 118.545 118.700 -0.048 0.000 2.266 82 N HA 0.129 4.869 4.740 -0.000 0.000 0.217 82 N C -0.354 175.131 175.510 -0.041 0.000 1.211 82 N CA 0.223 53.246 53.050 -0.046 0.000 0.881 82 N CB 1.042 39.496 38.487 -0.056 0.000 1.153 82 N HN 0.043 nan 8.380 nan 0.000 0.489 83 R N 1.319 121.792 120.500 -0.044 0.000 2.538 83 R HA 0.394 4.734 4.340 -0.000 0.000 0.292 83 R C -2.700 173.584 176.300 -0.027 0.000 1.008 83 R CA -1.351 54.727 56.100 -0.037 0.000 0.896 83 R CB 2.840 33.111 30.300 -0.048 0.000 1.187 83 R HN -0.015 nan 8.270 nan 0.000 0.440 84 P HA -0.021 nan 4.420 nan 0.000 0.274 84 P C -0.073 177.228 177.300 0.002 0.000 1.256 84 P CA -0.284 62.812 63.100 -0.006 0.000 0.795 84 P CB 1.045 32.742 31.700 -0.004 0.000 1.038 85 Q N 0.390 120.199 119.800 0.015 0.000 1.985 85 Q HA -0.266 4.074 4.340 -0.000 0.000 0.207 85 Q C 2.118 178.133 176.000 0.026 0.000 0.996 85 Q CA 1.898 57.720 55.803 0.033 0.000 0.851 85 Q CB -0.466 28.299 28.738 0.044 0.000 0.921 85 Q HN 0.441 nan 8.270 nan 0.000 0.418 86 Q N -0.694 119.115 119.800 0.015 0.000 2.368 86 Q HA -0.143 4.197 4.340 -0.000 0.000 0.210 86 Q C 1.655 177.655 176.000 0.000 0.000 0.982 86 Q CA 1.274 57.081 55.803 0.007 0.000 0.884 86 Q CB -0.181 28.558 28.738 0.003 0.000 0.933 86 Q HN 0.573 nan 8.270 nan 0.000 0.460 87 G N 0.530 109.329 108.800 -0.002 0.000 2.408 87 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.215 87 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.215 87 G C 1.401 176.292 174.900 -0.014 0.000 1.156 87 G CA 0.316 45.409 45.100 -0.011 0.000 0.793 87 G HN 0.315 nan 8.290 nan 0.000 0.535 88 I N 0.651 121.217 120.570 -0.007 0.000 2.163 88 I HA -0.118 4.052 4.170 -0.000 0.000 0.240 88 I C 2.737 178.855 176.117 0.002 0.000 1.081 88 I CA 1.205 62.501 61.300 -0.006 0.000 1.353 88 I CB -0.353 37.654 38.000 0.013 0.000 1.054 88 I HN 0.220 nan 8.210 nan 0.000 0.407 89 E N 0.948 121.158 120.200 0.016 0.000 2.033 89 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 89 E C 2.288 178.878 176.600 -0.018 0.000 1.011 89 E CA 1.278 57.680 56.400 0.004 0.000 0.815 89 E CB -0.328 29.374 29.700 0.004 0.000 0.755 89 E HN 0.352 nan 8.360 nan 0.000 0.451 90 L N 1.436 122.649 121.223 -0.017 0.000 2.081 90 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 90 L C 2.236 179.088 176.870 -0.031 0.000 1.080 90 L CA 1.853 56.679 54.840 -0.023 0.000 0.754 90 L CB -0.487 41.562 42.059 -0.018 0.000 0.893 90 L HN 0.244 nan 8.230 nan 0.000 0.433 91 E N -0.452 119.728 120.200 -0.032 0.000 2.047 91 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 91 E C 2.275 178.844 176.600 -0.051 0.000 0.987 91 E CA 0.928 57.304 56.400 -0.040 0.000 0.799 91 E CB 0.152 29.826 29.700 -0.043 0.000 0.752 91 E HN 0.375 nan 8.360 nan 0.000 0.449 92 I N 1.837 122.374 120.570 -0.055 0.000 2.179 92 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 92 I C 2.224 178.277 176.117 -0.106 0.000 1.088 92 I CA 1.427 62.681 61.300 -0.077 0.000 1.357 92 I CB -1.215 36.744 38.000 -0.068 0.000 1.051 92 I HN 0.220 nan 8.210 nan 0.000 0.409 93 E N 0.727 120.872 120.200 -0.091 0.000 2.118 93 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 93 E C 1.814 178.369 176.600 -0.076 0.000 0.992 93 E CA 0.938 57.281 56.400 -0.095 0.000 0.804 93 E CB -0.352 29.309 29.700 -0.064 0.000 0.741 93 E HN 0.537 nan 8.360 nan 0.000 0.458 94 N N 1.117 119.783 118.700 -0.057 0.000 2.244 94 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 94 N C 2.038 177.521 175.510 -0.044 0.000 1.016 94 N CA 0.958 53.982 53.050 -0.044 0.000 0.866 94 N CB -0.066 38.400 38.487 -0.034 0.000 0.980 94 N HN 0.405 nan 8.380 nan 0.000 0.430 95 I N -4.228 116.308 120.570 -0.055 0.000 3.956 95 I HA 0.374 4.544 4.170 -0.000 0.000 0.333 95 I C 0.792 176.874 176.117 -0.058 0.000 1.302 95 I CA 0.083 61.354 61.300 -0.048 0.000 1.122 95 I CB -0.019 37.953 38.000 -0.046 0.000 1.013 95 I HN -0.067 nan 8.210 nan 0.000 0.405 96 G N 1.799 110.545 108.800 -0.091 0.000 2.212 96 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.255 96 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.255 96 G C 0.006 174.797 174.900 -0.181 0.000 1.062 96 G CA 0.355 45.382 45.100 -0.122 0.000 0.815 96 G HN 0.474 nan 8.290 nan 0.000 0.497 97 S N -0.508 115.056 115.700 -0.227 0.000 2.758 97 S HA 0.866 5.336 4.470 -0.000 0.000 0.292 97 S C -0.154 174.172 174.600 -0.457 0.000 1.131 97 S CA -0.715 57.364 58.200 -0.202 0.000 0.997 97 S CB 1.145 64.292 63.200 -0.089 0.000 1.111 97 S HN 0.434 nan 8.310 nan 0.000 0.552 98 H N 0.042 119.104 119.070 -0.012 0.000 2.806 98 H HA 0.528 5.084 4.556 -0.000 0.000 0.367 98 H C -1.511 173.777 175.328 -0.068 0.000 1.136 98 H CA -0.580 55.448 56.048 -0.033 0.000 1.178 98 H CB 1.717 31.465 29.762 -0.023 0.000 1.718 98 H HN 0.211 nan 8.280 nan 0.000 0.540 99 L N 2.900 124.139 121.223 0.026 0.000 2.385 99 L HA 0.436 4.776 4.340 -0.000 0.000 0.273 99 L C -0.573 176.246 176.870 -0.084 0.000 0.990 99 L CA -0.293 54.542 54.840 -0.007 0.000 0.821 99 L CB 1.280 43.415 42.059 0.128 0.000 1.279 99 L HN 0.631 nan 8.230 nan 0.000 0.412 100 N N 2.176 120.706 118.700 -0.284 0.000 2.825 100 N HA 0.909 5.649 4.740 -0.000 0.000 0.253 100 N C -1.753 173.637 175.510 -0.200 0.000 1.426 100 N CA -0.304 52.553 53.050 -0.322 0.000 0.851 100 N CB 2.505 40.660 38.487 -0.553 0.000 1.470 100 N HN 0.709 nan 8.380 nan 0.000 0.517 101 A N 0.140 122.957 122.820 -0.006 0.000 2.566 101 A HA 0.716 5.036 4.320 -0.000 0.000 0.290 101 A C -2.291 175.317 177.584 0.039 0.000 1.071 101 A CA -0.566 51.415 52.037 -0.094 0.000 0.658 101 A CB 1.211 19.971 19.000 -0.399 0.000 1.285 101 A HN 0.730 nan 8.150 nan 0.000 0.427 102 Y N -2.509 117.696 120.300 -0.157 0.000 2.620 102 Y HA 0.749 5.299 4.550 -0.000 0.000 0.331 102 Y C -0.818 175.035 175.900 -0.077 0.000 1.173 102 Y CA -0.741 57.316 58.100 -0.071 0.000 1.076 102 Y CB 0.789 39.239 38.460 -0.015 0.000 1.336 102 Y HN 0.620 nan 8.280 nan 0.000 0.459 103 T N 2.774 117.439 114.554 0.184 0.000 2.824 103 T HA 0.675 5.025 4.350 -0.000 0.000 0.282 103 T C -0.405 174.413 174.700 0.197 0.000 0.993 103 T CA -0.497 61.689 62.100 0.143 0.000 0.967 103 T CB 1.291 70.249 68.868 0.150 0.000 0.960 103 T HN 0.920 nan 8.240 nan 0.000 0.441 104 S N 2.593 118.415 115.700 0.203 0.000 2.798 104 S HA 0.518 4.987 4.470 -0.000 0.000 0.312 104 S C 0.945 175.634 174.600 0.149 0.000 1.122 104 S CA -1.146 57.166 58.200 0.187 0.000 0.949 104 S CB 1.491 64.846 63.200 0.258 0.000 1.235 104 S HN 0.597 nan 8.310 nan 0.000 0.552 105 R N 0.210 120.794 120.500 0.141 0.000 2.235 105 R HA 0.098 4.438 4.340 -0.000 0.000 0.213 105 R C 1.411 177.772 176.300 0.101 0.000 1.059 105 R CA 1.173 57.317 56.100 0.073 0.000 0.997 105 R CB -0.118 30.169 30.300 -0.021 0.000 0.884 105 R HN 0.714 nan 8.270 nan 0.000 0.462 106 E N -0.642 119.674 120.200 0.192 0.000 2.399 106 E HA 0.077 4.427 4.350 -0.000 0.000 0.205 106 E C -0.330 176.381 176.600 0.185 0.000 0.906 106 E CA 0.179 56.699 56.400 0.199 0.000 0.998 106 E CB 0.564 30.449 29.700 0.309 0.000 1.002 106 E HN 0.270 nan 8.360 nan 0.000 0.501 107 N N -0.787 118.026 118.700 0.189 0.000 2.571 107 N HA 0.329 5.069 4.740 -0.000 0.000 0.273 107 N C -1.392 174.179 175.510 0.101 0.000 1.340 107 N CA -0.558 52.582 53.050 0.151 0.000 0.789 107 N CB 2.177 40.756 38.487 0.152 0.000 1.514 107 N HN -0.254 nan 8.380 nan 0.000 0.499 108 T N 0.486 115.068 114.554 0.046 0.000 2.824 108 T HA 0.666 5.016 4.350 -0.000 0.000 0.282 108 T C -1.169 173.399 174.700 -0.219 0.000 0.993 108 T CA -0.500 61.585 62.100 -0.025 0.000 0.967 108 T CB 1.124 70.099 68.868 0.178 0.000 0.960 108 T HN 0.183 nan 8.240 nan 0.000 0.441 109 V N 3.696 123.277 119.914 -0.554 0.000 2.733 109 V HA 0.553 4.673 4.120 -0.000 0.000 0.306 109 V C -1.648 174.044 176.094 -0.670 0.000 1.084 109 V CA -0.990 60.852 62.300 -0.764 0.000 0.905 109 V CB 1.711 32.688 31.823 -1.411 0.000 1.010 109 V HN 0.849 nan 8.190 nan 0.000 0.424 110 Y N 4.507 124.617 120.300 -0.316 0.000 2.442 110 Y HA 0.808 5.358 4.550 -0.000 0.000 0.344 110 Y C -0.379 175.522 175.900 0.002 0.000 0.976 110 Y CA -0.915 57.118 58.100 -0.111 0.000 1.040 110 Y CB 2.126 40.520 38.460 -0.111 0.000 1.228 110 Y HN 0.757 nan 8.280 nan 0.000 0.451 111 Y N -0.097 120.225 120.300 0.037 0.000 2.625 111 Y HA 0.975 5.525 4.550 -0.000 0.000 0.338 111 Y C -1.536 174.423 175.900 0.099 0.000 1.123 111 Y CA -2.024 56.104 58.100 0.045 0.000 1.046 111 Y CB 1.078 39.544 38.460 0.010 0.000 1.299 111 Y HN 0.711 nan 8.280 nan 0.000 0.464 112 A N 1.794 124.711 122.820 0.162 0.000 2.498 112 A HA 0.844 5.164 4.320 -0.000 0.000 0.298 112 A C -1.629 176.061 177.584 0.176 0.000 1.075 112 A CA -1.271 50.814 52.037 0.079 0.000 0.714 112 A CB 1.856 20.886 19.000 0.050 0.000 1.299 112 A HN 0.703 nan 8.150 nan 0.000 0.407 113 K N 0.892 121.389 120.400 0.160 0.000 2.345 113 K HA 0.721 5.040 4.320 -0.000 0.000 0.255 113 K C -0.817 175.864 176.600 0.136 0.000 0.934 113 K CA -0.309 56.086 56.287 0.180 0.000 0.801 113 K CB 2.052 34.685 32.500 0.221 0.000 1.137 113 K HN 0.958 nan 8.250 nan 0.000 0.424 114 S N 1.417 117.176 115.700 0.098 0.000 2.611 114 S HA 0.442 4.912 4.470 -0.000 0.000 0.268 114 S C -0.695 173.935 174.600 0.049 0.000 1.156 114 S CA -1.122 57.113 58.200 0.058 0.000 0.817 114 S CB 0.422 63.634 63.200 0.020 0.000 1.122 114 S HN 0.387 nan 8.310 nan 0.000 0.466 115 L N 2.325 123.567 121.223 0.031 0.000 2.483 115 L HA 0.155 4.495 4.340 -0.000 0.000 0.275 115 L C 2.453 179.340 176.870 0.028 0.000 1.220 115 L CA -0.326 54.532 54.840 0.030 0.000 0.833 115 L CB 0.240 42.310 42.059 0.019 0.000 1.102 115 L HN 0.988 nan 8.230 nan 0.000 0.490 116 Q N 1.049 120.871 119.800 0.037 0.000 2.152 116 Q HA -0.265 4.075 4.340 -0.000 0.000 0.206 116 Q C 1.206 177.223 176.000 0.029 0.000 0.985 116 Q CA 2.081 57.910 55.803 0.044 0.000 0.863 116 Q CB -0.243 28.533 28.738 0.062 0.000 0.904 116 Q HN 0.737 nan 8.270 nan 0.000 0.422 117 E N 1.696 121.909 120.200 0.021 0.000 2.160 117 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 117 E C 1.056 177.646 176.600 -0.018 0.000 0.991 117 E CA 1.513 57.919 56.400 0.010 0.000 0.810 117 E CB -0.061 29.646 29.700 0.010 0.000 0.742 117 E HN 0.518 nan 8.360 nan 0.000 0.466 118 D N 0.029 120.416 120.400 -0.022 0.000 2.325 118 D HA 0.014 4.654 4.640 -0.000 0.000 0.225 118 D C 1.314 177.571 176.300 -0.072 0.000 1.096 118 D CA 0.027 53.997 54.000 -0.049 0.000 0.844 118 D CB 0.210 40.986 40.800 -0.039 0.000 0.925 118 D HN 0.116 nan 8.370 nan 0.000 0.513 119 I N 2.314 122.846 120.570 -0.063 0.000 2.163 119 I HA -0.188 3.981 4.170 -0.000 0.000 0.243 119 I C -0.340 175.675 176.117 -0.170 0.000 1.085 119 I CA 1.371 62.630 61.300 -0.068 0.000 1.347 119 I CB -2.398 35.588 38.000 -0.023 0.000 1.044 119 I HN 0.048 nan 8.210 nan 0.000 0.408 120 P HA -0.211 nan 4.420 nan 0.000 0.215 120 P C 1.625 178.714 177.300 -0.352 0.000 1.157 120 P CA 1.685 64.440 63.100 -0.575 0.000 0.868 120 P CB -0.079 31.022 31.700 -0.998 0.000 0.788 121 K N 0.792 121.045 120.400 -0.245 0.000 2.211 121 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 121 K C 2.045 178.512 176.600 -0.222 0.000 1.047 121 K CA 1.652 57.811 56.287 -0.212 0.000 0.935 121 K CB -1.174 31.248 32.500 -0.130 0.000 0.728 121 K HN 0.026 nan 8.250 nan 0.000 0.452 122 A N -0.090 122.630 122.820 -0.166 0.000 1.872 122 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 122 A C 2.284 179.802 177.584 -0.109 0.000 1.187 122 A CA 1.524 53.497 52.037 -0.106 0.000 0.614 122 A CB -0.666 18.312 19.000 -0.037 0.000 0.826 122 A HN 0.105 nan 8.150 nan 0.000 0.442 123 V N 0.996 120.844 119.914 -0.110 0.000 2.295 123 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 123 V C 2.423 178.350 176.094 -0.278 0.000 1.049 123 V CA 2.482 64.779 62.300 -0.005 0.000 1.024 123 V CB -0.885 31.023 31.823 0.141 0.000 0.648 123 V HN 0.734 nan 8.190 nan 0.000 0.447 124 D N 0.563 120.515 120.400 -0.747 0.000 2.108 124 D HA -0.222 4.418 4.640 -0.000 0.000 0.190 124 D C 1.944 177.934 176.300 -0.518 0.000 0.995 124 D CA 2.082 55.394 54.000 -1.146 0.000 0.834 124 D CB -0.333 39.756 40.800 -1.186 0.000 0.967 124 D HN 0.417 nan 8.370 nan 0.000 0.446 125 I N -0.059 120.304 120.570 -0.344 0.000 2.264 125 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 125 I C 2.561 178.556 176.117 -0.203 0.000 1.111 125 I CA 0.551 61.715 61.300 -0.227 0.000 1.382 125 I CB -0.200 37.704 38.000 -0.160 0.000 1.060 125 I HN 0.154 nan 8.210 nan 0.000 0.418 126 L N 0.286 121.419 121.223 -0.149 0.000 2.017 126 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 126 L C 2.881 179.663 176.870 -0.146 0.000 1.073 126 L CA 1.891 56.687 54.840 -0.074 0.000 0.745 126 L CB -0.655 41.476 42.059 0.121 0.000 0.894 126 L HN 0.378 nan 8.230 nan 0.000 0.432 127 S N -0.995 114.502 115.700 -0.337 0.000 2.368 127 S HA -0.259 4.211 4.470 -0.000 0.000 0.225 127 S C 1.676 176.078 174.600 -0.330 0.000 1.030 127 S CA 1.512 59.294 58.200 -0.696 0.000 0.999 127 S CB -0.497 61.973 63.200 -1.216 0.000 0.844 127 S HN 0.410 nan 8.310 nan 0.000 0.459 128 D N 1.534 121.767 120.400 -0.277 0.000 2.104 128 D HA -0.025 4.615 4.640 -0.000 0.000 0.194 128 D C 1.719 177.905 176.300 -0.190 0.000 0.994 128 D CA 1.373 55.254 54.000 -0.198 0.000 0.830 128 D CB -0.413 40.276 40.800 -0.186 0.000 0.959 128 D HN 0.527 nan 8.370 nan 0.000 0.452 129 I N -0.254 120.166 120.570 -0.250 0.000 2.439 129 I HA -0.156 4.014 4.170 -0.000 0.000 0.251 129 I C 2.088 177.985 176.117 -0.366 0.000 1.139 129 I CA 0.296 61.404 61.300 -0.319 0.000 1.438 129 I CB 0.059 37.799 38.000 -0.433 0.000 1.085 129 I HN 0.121 nan 8.210 nan 0.000 0.427 130 L N 0.132 121.134 121.223 -0.369 0.000 2.162 130 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 130 L C 2.360 179.243 176.870 0.021 0.000 1.086 130 L CA 2.111 56.764 54.840 -0.312 0.000 0.778 130 L CB -0.423 41.451 42.059 -0.308 0.000 0.928 130 L HN 0.330 nan 8.230 nan 0.000 0.446 131 T N -5.292 109.278 114.554 0.027 0.000 2.971 131 T HA 0.139 4.489 4.350 -0.000 0.000 0.252 131 T C 1.148 175.892 174.700 0.074 0.000 1.022 131 T CA -0.077 62.107 62.100 0.140 0.000 0.980 131 T CB -0.037 68.983 68.868 0.255 0.000 1.044 131 T HN 0.206 nan 8.240 nan 0.000 0.501 132 K N 2.715 123.111 120.400 -0.007 0.000 2.861 132 K HA 0.295 4.615 4.320 -0.000 0.000 0.210 132 K C -0.298 176.275 176.600 -0.044 0.000 1.112 132 K CA -0.292 55.977 56.287 -0.031 0.000 1.076 132 K CB 0.890 33.349 32.500 -0.069 0.000 0.853 132 K HN 0.397 nan 8.250 nan 0.000 0.463 133 S N -0.243 115.435 115.700 -0.037 0.000 2.528 133 S HA 0.073 4.543 4.470 -0.000 0.000 0.277 133 S C 1.625 176.213 174.600 -0.020 0.000 1.297 133 S CA -0.822 57.355 58.200 -0.040 0.000 1.052 133 S CB 1.603 64.781 63.200 -0.037 0.000 0.917 133 S HN -0.053 nan 8.310 nan 0.000 0.492 134 V N 3.436 123.339 119.914 -0.018 0.000 2.252 134 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 134 V C 1.384 177.475 176.094 -0.005 0.000 1.056 134 V CA 1.675 63.969 62.300 -0.011 0.000 1.022 134 V CB -1.367 30.453 31.823 -0.006 0.000 0.641 134 V HN 0.965 nan 8.190 nan 0.000 0.445 135 L N 0.385 121.612 121.223 0.006 0.000 3.533 135 L HA -0.191 4.149 4.340 -0.000 0.000 0.477 135 L C 0.132 177.003 176.870 0.002 0.000 1.306 135 L CA 0.039 54.883 54.840 0.007 0.000 0.850 135 L CB -1.778 40.275 42.059 -0.010 0.000 1.654 135 L HN 0.498 nan 8.230 nan 0.000 0.863 136 D N 0.225 120.632 120.400 0.012 0.000 2.488 136 D HA 0.028 4.668 4.640 -0.000 0.000 0.238 136 D C 1.315 177.620 176.300 0.008 0.000 1.138 136 D CA 0.556 54.562 54.000 0.009 0.000 0.873 136 D CB 0.574 41.383 40.800 0.016 0.000 1.183 136 D HN 0.296 nan 8.370 nan 0.000 0.458 137 N N 1.494 120.193 118.700 -0.001 0.000 2.166 137 N HA -0.203 4.537 4.740 -0.000 0.000 0.186 137 N C 1.527 177.042 175.510 0.008 0.000 1.019 137 N CA 0.681 53.727 53.050 -0.006 0.000 0.856 137 N CB 0.028 38.508 38.487 -0.011 0.000 0.993 137 N HN 0.325 nan 8.380 nan 0.000 0.426 138 S N 0.655 116.364 115.700 0.014 0.000 2.368 138 S HA -0.087 4.382 4.470 -0.000 0.000 0.225 138 S C 2.037 176.660 174.600 0.038 0.000 1.030 138 S CA 1.165 59.379 58.200 0.022 0.000 0.999 138 S CB -0.235 62.976 63.200 0.018 0.000 0.844 138 S HN 0.391 nan 8.310 nan 0.000 0.459 139 A N 1.825 124.672 122.820 0.045 0.000 1.865 139 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 139 A C 2.116 179.765 177.584 0.108 0.000 1.191 139 A CA 1.690 53.769 52.037 0.070 0.000 0.623 139 A CB -1.016 18.027 19.000 0.072 0.000 0.826 139 A HN 0.629 nan 8.150 nan 0.000 0.444 140 I N -0.211 120.415 120.570 0.094 0.000 2.300 140 I HA -0.289 3.881 4.170 -0.000 0.000 0.252 140 I C 2.381 178.588 176.117 0.151 0.000 1.119 140 I CA 1.512 62.880 61.300 0.114 0.000 1.384 140 I CB -0.376 37.602 38.000 -0.037 0.000 1.062 140 I HN 0.367 nan 8.210 nan 0.000 0.426 141 E N 0.544 120.798 120.200 0.089 0.000 2.086 141 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 141 E C 2.252 178.906 176.600 0.090 0.000 0.975 141 E CA 0.727 57.178 56.400 0.084 0.000 0.813 141 E CB -0.255 29.471 29.700 0.043 0.000 0.768 141 E HN 0.457 nan 8.360 nan 0.000 0.457 142 R N 0.754 121.299 120.500 0.074 0.000 2.127 142 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 142 R C 2.102 178.432 176.300 0.049 0.000 1.134 142 R CA 1.161 57.293 56.100 0.054 0.000 0.975 142 R CB -0.024 30.303 30.300 0.046 0.000 0.865 142 R HN 0.024 nan 8.270 nan 0.000 0.447 143 E N 0.551 120.798 120.200 0.077 0.000 2.216 143 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 143 E C 1.645 178.181 176.600 -0.108 0.000 0.988 143 E CA 0.890 57.287 56.400 -0.005 0.000 0.834 143 E CB 0.141 29.860 29.700 0.032 0.000 0.772 143 E HN 0.198 nan 8.360 nan 0.000 0.479 144 R N 0.585 121.126 120.500 0.068 0.000 2.133 144 R HA -0.184 4.156 4.340 -0.000 0.000 0.247 144 R C 1.941 178.218 176.300 -0.039 0.000 1.151 144 R CA 1.553 57.691 56.100 0.063 0.000 0.971 144 R CB -0.466 29.930 30.300 0.159 0.000 0.866 144 R HN 0.253 nan 8.270 nan 0.000 0.447 145 D N 0.531 120.918 120.400 -0.021 0.000 2.149 145 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 145 D C 1.900 178.171 176.300 -0.049 0.000 0.972 145 D CA 0.877 54.863 54.000 -0.023 0.000 0.835 145 D CB 0.255 41.053 40.800 -0.004 0.000 0.966 145 D HN 0.018 nan 8.370 nan 0.000 0.476 146 V N 1.711 121.584 119.914 -0.069 0.000 2.343 146 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 146 V C 2.600 178.634 176.094 -0.099 0.000 1.051 146 V CA 0.930 63.194 62.300 -0.060 0.000 1.036 146 V CB -0.344 31.462 31.823 -0.030 0.000 0.654 146 V HN 0.260 nan 8.190 nan 0.000 0.451 147 I N -0.166 120.264 120.570 -0.234 0.000 2.286 147 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 147 I C 2.419 178.475 176.117 -0.103 0.000 1.115 147 I CA 1.549 62.700 61.300 -0.249 0.000 1.392 147 I CB -1.048 36.679 38.000 -0.453 0.000 1.065 147 I HN 0.238 nan 8.210 nan 0.000 0.418 148 I N 0.638 121.161 120.570 -0.078 0.000 2.202 148 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 148 I C 2.702 178.804 176.117 -0.025 0.000 1.091 148 I CA 1.211 62.490 61.300 -0.035 0.000 1.368 148 I CB -1.318 36.671 38.000 -0.018 0.000 1.058 148 I HN 0.192 nan 8.210 nan 0.000 0.410 149 R N 0.980 121.465 120.500 -0.025 0.000 2.094 149 R HA -0.224 4.116 4.340 -0.000 0.000 0.239 149 R C 2.315 178.607 176.300 -0.013 0.000 1.137 149 R CA 1.880 57.971 56.100 -0.015 0.000 0.943 149 R CB -0.367 29.926 30.300 -0.012 0.000 0.850 149 R HN 0.382 nan 8.270 nan 0.000 0.433 150 E N -0.791 119.403 120.200 -0.010 0.000 2.070 150 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 150 E C 1.846 178.434 176.600 -0.020 0.000 1.004 150 E CA 1.690 58.091 56.400 0.001 0.000 0.805 150 E CB -0.194 29.531 29.700 0.042 0.000 0.744 150 E HN 0.288 nan 8.360 nan 0.000 0.451 151 S N -0.156 115.529 115.700 -0.026 0.000 2.382 151 S HA -0.189 4.281 4.470 -0.000 0.000 0.228 151 S C 1.691 176.278 174.600 -0.021 0.000 1.027 151 S CA 1.474 59.656 58.200 -0.030 0.000 0.991 151 S CB -0.188 62.997 63.200 -0.025 0.000 0.823 151 S HN 0.289 nan 8.310 nan 0.000 0.469 152 E N 0.185 120.376 120.200 -0.015 0.000 2.110 152 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 152 E C 2.177 178.766 176.600 -0.018 0.000 0.988 152 E CA 1.138 57.533 56.400 -0.009 0.000 0.804 152 E CB -0.019 29.677 29.700 -0.006 0.000 0.745 152 E HN 0.466 nan 8.360 nan 0.000 0.458 153 E N 0.267 120.451 120.200 -0.026 0.000 2.107 153 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 153 E C 2.261 178.829 176.600 -0.054 0.000 0.982 153 E CA 0.518 56.895 56.400 -0.039 0.000 0.809 153 E CB -0.179 29.500 29.700 -0.035 0.000 0.756 153 E HN 0.120 nan 8.360 nan 0.000 0.459 154 V N 2.267 122.153 119.914 -0.047 0.000 2.490 154 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 154 V C 1.618 177.686 176.094 -0.044 0.000 1.061 154 V CA 1.678 63.947 62.300 -0.052 0.000 1.064 154 V CB -0.401 31.392 31.823 -0.051 0.000 0.670 154 V HN 0.143 nan 8.190 nan 0.000 0.461 155 D N 0.086 120.472 120.400 -0.023 0.000 2.351 155 D HA -0.117 4.523 4.640 -0.000 0.000 0.216 155 D C 1.865 178.155 176.300 -0.017 0.000 0.968 155 D CA 0.907 54.914 54.000 0.012 0.000 0.899 155 D CB -0.034 40.784 40.800 0.031 0.000 0.907 155 D HN 0.471 nan 8.370 nan 0.000 0.514 156 K N -0.342 119.996 120.400 -0.105 0.000 2.374 156 K HA 0.209 4.529 4.320 -0.000 0.000 0.196 156 K C 0.500 176.810 176.600 -0.483 0.000 1.023 156 K CA 0.013 56.151 56.287 -0.248 0.000 1.103 156 K CB 0.503 32.904 32.500 -0.165 0.000 0.848 156 K HN 0.034 nan 8.250 nan 0.000 0.528 157 M N 1.371 120.783 119.600 -0.314 0.000 2.385 157 M HA 0.193 4.673 4.480 -0.000 0.000 0.346 157 M C -0.379 175.813 176.300 -0.181 0.000 1.180 157 M CA -0.547 54.588 55.300 -0.276 0.000 1.154 157 M CB 0.522 33.045 32.600 -0.128 0.000 1.251 157 M HN -0.009 nan 8.290 nan 0.000 0.430 158 Y N 0.945 121.169 120.300 -0.126 0.000 2.241 158 Y HA -0.289 4.261 4.550 -0.000 0.000 0.286 158 Y C 2.231 178.040 175.900 -0.152 0.000 1.166 158 Y CA 1.639 59.580 58.100 -0.265 0.000 1.203 158 Y CB -0.867 37.120 38.460 -0.787 0.000 0.977 158 Y HN 0.646 nan 8.280 nan 0.000 0.529 159 D N -0.136 120.322 120.400 0.096 0.000 2.117 159 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 159 D C 1.540 177.928 176.300 0.147 0.000 0.982 159 D CA 1.318 55.357 54.000 0.066 0.000 0.828 159 D CB -0.520 40.276 40.800 -0.007 0.000 0.967 159 D HN 0.287 nan 8.370 nan 0.000 0.464 160 E N 0.597 120.850 120.200 0.089 0.000 2.110 160 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 160 E C 2.546 179.217 176.600 0.120 0.000 0.988 160 E CA 0.529 56.984 56.400 0.090 0.000 0.804 160 E CB -0.231 29.472 29.700 0.006 0.000 0.745 160 E HN 0.271 nan 8.360 nan 0.000 0.458 161 V N 1.133 121.113 119.914 0.110 0.000 2.307 161 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 161 V C 2.623 178.844 176.094 0.213 0.000 1.045 161 V CA 1.296 63.692 62.300 0.160 0.000 1.024 161 V CB -0.619 31.317 31.823 0.188 0.000 0.651 161 V HN 0.049 nan 8.190 nan 0.000 0.449 162 V N -0.598 119.380 119.914 0.107 0.000 2.287 162 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 162 V C 2.220 178.270 176.094 -0.073 0.000 1.053 162 V CA 2.274 64.565 62.300 -0.015 0.000 1.027 162 V CB -0.772 30.974 31.823 -0.129 0.000 0.646 162 V HN 0.457 nan 8.190 nan 0.000 0.447 163 F N 0.135 120.103 119.950 0.030 0.000 2.293 163 F HA -0.094 4.433 4.527 -0.000 0.000 0.300 163 F C 2.261 178.157 175.800 0.159 0.000 1.086 163 F CA 1.333 59.357 58.000 0.041 0.000 1.375 163 F CB -0.446 38.515 39.000 -0.065 0.000 1.045 163 F HN 0.210 nan 8.300 nan 0.000 0.516 164 D N -1.195 119.345 120.400 0.234 0.000 2.149 164 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 164 D C 1.992 178.343 176.300 0.086 0.000 0.972 164 D CA 1.309 55.374 54.000 0.109 0.000 0.835 164 D CB -0.366 40.417 40.800 -0.029 0.000 0.966 164 D HN 0.348 nan 8.370 nan 0.000 0.476 165 H N -0.004 119.116 119.070 0.083 0.000 2.389 165 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 165 H C 1.935 177.284 175.328 0.034 0.000 1.081 165 H CA 0.663 56.737 56.048 0.042 0.000 1.345 165 H CB -0.000 29.762 29.762 0.000 0.000 1.393 165 H HN 0.002 nan 8.280 nan 0.000 0.520 166 L N -0.001 121.316 121.223 0.157 0.000 2.046 166 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 166 L C 1.769 178.660 176.870 0.035 0.000 1.077 166 L CA 1.850 56.719 54.840 0.048 0.000 0.747 166 L CB -0.442 41.623 42.059 0.009 0.000 0.896 166 L HN 0.273 nan 8.230 nan 0.000 0.432 167 H N -0.840 118.292 119.070 0.104 0.000 2.389 167 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 167 H C 2.214 177.609 175.328 0.111 0.000 1.081 167 H CA 1.727 57.872 56.048 0.162 0.000 1.345 167 H CB 0.142 30.024 29.762 0.202 0.000 1.393 167 H HN 0.484 nan 8.280 nan 0.000 0.520 168 E N 0.398 120.705 120.200 0.178 0.000 2.051 168 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 168 E C 2.049 178.678 176.600 0.048 0.000 0.991 168 E CA 1.590 58.048 56.400 0.097 0.000 0.799 168 E CB -0.016 29.710 29.700 0.044 0.000 0.748 168 E HN 0.663 nan 8.360 nan 0.000 0.449 169 I N -2.135 118.439 120.570 0.006 0.000 2.716 169 I HA -0.038 4.132 4.170 -0.000 0.000 0.259 169 I C 1.927 177.942 176.117 -0.171 0.000 1.172 169 I CA 0.911 62.178 61.300 -0.056 0.000 1.478 169 I CB -0.216 37.749 38.000 -0.059 0.000 1.104 169 I HN -0.092 nan 8.210 nan 0.000 0.439 170 T N 0.435 114.820 114.554 -0.282 0.000 2.812 170 T HA -0.055 4.295 4.350 -0.000 0.000 0.264 170 T C 0.458 174.796 174.700 -0.604 0.000 1.042 170 T CA 1.418 63.138 62.100 -0.634 0.000 1.140 170 T CB -0.300 68.047 68.868 -0.868 0.000 0.870 170 T HN 0.348 nan 8.240 nan 0.000 0.445 171 Y N 1.650 121.874 120.300 -0.127 0.000 2.813 171 Y HA 0.502 5.052 4.550 -0.000 0.000 0.378 171 Y C 0.314 176.195 175.900 -0.032 0.000 1.023 171 Y CA -1.720 56.344 58.100 -0.060 0.000 1.567 171 Y CB -0.239 38.214 38.460 -0.012 0.000 1.492 171 Y HN -0.139 nan 8.280 nan 0.000 0.533 172 K N 1.898 122.327 120.400 0.048 0.000 2.504 172 K HA -0.099 4.221 4.320 -0.000 0.000 0.278 172 K C 0.307 176.942 176.600 0.059 0.000 1.025 172 K CA 0.831 57.141 56.287 0.038 0.000 1.093 172 K CB -0.121 32.381 32.500 0.003 0.000 0.873 172 K HN 0.452 nan 8.250 nan 0.000 0.483 173 D N 2.617 123.048 120.400 0.052 0.000 2.737 173 D HA -0.233 4.407 4.640 -0.000 0.000 0.233 173 D C -0.605 175.725 176.300 0.049 0.000 1.155 173 D CA 1.054 55.081 54.000 0.045 0.000 0.667 173 D CB -0.727 40.095 40.800 0.036 0.000 1.060 173 D HN 0.656 nan 8.370 nan 0.000 0.427 174 Q N -1.549 118.288 119.800 0.063 0.000 2.416 174 Q HA 0.359 4.699 4.340 -0.000 0.000 0.279 174 Q C -1.842 174.167 176.000 0.014 0.000 1.101 174 Q CA -1.834 53.995 55.803 0.044 0.000 0.830 174 Q CB 1.919 30.698 28.738 0.068 0.000 1.402 174 Q HN -0.194 nan 8.270 nan 0.000 0.445 175 P HA -0.183 nan 4.420 nan 0.000 0.215 175 P C 1.054 178.307 177.300 -0.077 0.000 1.157 175 P CA 0.946 64.026 63.100 -0.033 0.000 0.868 175 P CB 0.224 31.902 31.700 -0.037 0.000 0.788 176 L N -0.673 120.439 121.223 -0.184 0.000 2.353 176 L HA -0.008 4.332 4.340 -0.000 0.000 0.220 176 L C 2.119 178.943 176.870 -0.076 0.000 1.133 176 L CA 1.697 56.346 54.840 -0.319 0.000 0.798 176 L CB -1.674 39.906 42.059 -0.798 0.000 0.922 176 L HN -0.011 nan 8.230 nan 0.000 0.445 177 G N -1.348 107.485 108.800 0.056 0.000 2.744 177 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.211 177 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.211 177 G C 0.936 175.897 174.900 0.101 0.000 1.143 177 G CA -0.246 44.969 45.100 0.191 0.000 0.788 177 G HN 0.257 nan 8.290 nan 0.000 0.534 178 R N 0.371 120.890 120.500 0.033 0.000 2.532 178 R HA 0.454 4.794 4.340 -0.000 0.000 0.272 178 R C 0.677 176.961 176.300 -0.027 0.000 1.032 178 R CA -0.228 55.876 56.100 0.006 0.000 1.089 178 R CB 0.780 31.084 30.300 0.008 0.000 1.098 178 R HN 0.196 nan 8.270 nan 0.000 0.526 179 T N -1.945 112.586 114.554 -0.038 0.000 2.754 179 T HA 0.226 4.576 4.350 -0.000 0.000 0.286 179 T C 1.396 176.065 174.700 -0.052 0.000 0.997 179 T CA -0.529 61.532 62.100 -0.066 0.000 0.982 179 T CB 0.555 69.381 68.868 -0.071 0.000 1.027 179 T HN 0.486 nan 8.240 nan 0.000 0.529 180 I N -0.066 120.460 120.570 -0.073 0.000 2.703 180 I HA 0.049 4.219 4.170 -0.000 0.000 0.259 180 I C 2.012 178.085 176.117 -0.074 0.000 1.151 180 I CA 0.321 61.585 61.300 -0.060 0.000 1.470 180 I CB -0.181 37.769 38.000 -0.083 0.000 1.112 180 I HN 0.433 nan 8.210 nan 0.000 0.437 181 L N 0.643 121.789 121.223 -0.127 0.000 2.179 181 L HA 0.190 4.530 4.340 -0.000 0.000 0.208 181 L C 1.165 178.040 176.870 0.008 0.000 1.096 181 L CA 1.181 55.960 54.840 -0.103 0.000 0.779 181 L CB -1.063 40.916 42.059 -0.133 0.000 0.922 181 L HN 0.365 nan 8.230 nan 0.000 0.443 182 G N -1.327 107.469 108.800 -0.007 0.000 2.781 182 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.683 182 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.683 182 G C -2.624 172.282 174.900 0.009 0.000 1.390 182 G CA -0.687 44.422 45.100 0.015 0.000 0.850 182 G HN 0.091 nan 8.290 nan 0.000 0.557 183 P HA 0.382 nan 4.420 nan 0.000 0.274 183 P C 1.471 178.785 177.300 0.024 0.000 1.231 183 P CA -0.806 62.301 63.100 0.012 0.000 0.790 183 P CB 0.485 32.193 31.700 0.013 0.000 0.951 184 I N 1.085 121.667 120.570 0.019 0.000 2.264 184 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 184 I C 2.143 178.280 176.117 0.033 0.000 1.111 184 I CA 1.752 63.066 61.300 0.025 0.000 1.382 184 I CB -1.058 36.953 38.000 0.019 0.000 1.060 184 I HN 0.594 nan 8.210 nan 0.000 0.418 185 K N 1.368 121.785 120.400 0.028 0.000 2.015 185 K HA -0.266 4.054 4.320 -0.000 0.000 0.216 185 K C 1.828 178.448 176.600 0.034 0.000 1.052 185 K CA 2.418 58.721 56.287 0.027 0.000 0.937 185 K CB -0.104 32.410 32.500 0.022 0.000 0.719 185 K HN 0.223 nan 8.250 nan 0.000 0.446 186 N N 0.676 119.399 118.700 0.038 0.000 2.244 186 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 186 N C 1.719 177.276 175.510 0.077 0.000 1.016 186 N CA 1.134 54.210 53.050 0.044 0.000 0.866 186 N CB -0.113 38.401 38.487 0.044 0.000 0.980 186 N HN 0.280 nan 8.380 nan 0.000 0.430 187 I N 0.514 121.144 120.570 0.101 0.000 2.454 187 I HA -0.237 3.933 4.170 -0.000 0.000 0.254 187 I C 1.539 177.764 176.117 0.179 0.000 1.156 187 I CA 1.180 62.586 61.300 0.175 0.000 1.433 187 I CB -0.053 38.007 38.000 0.100 0.000 1.082 187 I HN 0.136 nan 8.210 nan 0.000 0.432 188 K N -0.031 120.426 120.400 0.094 0.000 2.356 188 K HA 0.037 4.357 4.320 -0.000 0.000 0.195 188 K C 1.763 178.385 176.600 0.037 0.000 1.037 188 K CA 0.996 57.324 56.287 0.069 0.000 1.014 188 K CB 0.213 32.739 32.500 0.045 0.000 0.815 188 K HN 0.295 nan 8.250 nan 0.000 0.507 189 S N -0.115 115.598 115.700 0.021 0.000 2.559 189 S HA 0.191 4.661 4.470 -0.000 0.000 0.226 189 S C 0.599 175.168 174.600 -0.050 0.000 1.000 189 S CA -0.532 57.661 58.200 -0.010 0.000 0.948 189 S CB 0.173 63.371 63.200 -0.003 0.000 0.870 189 S HN -0.071 nan 8.310 nan 0.000 0.497 190 I N 4.628 125.147 120.570 -0.085 0.000 2.683 190 I HA 0.179 4.349 4.170 -0.000 0.000 0.286 190 I C 0.981 176.955 176.117 -0.239 0.000 1.175 190 I CA 0.608 61.797 61.300 -0.184 0.000 1.429 190 I CB 0.079 37.883 38.000 -0.327 0.000 1.371 190 I HN 0.415 nan 8.210 nan 0.000 0.569 191 T N 3.265 117.708 114.554 -0.185 0.000 2.950 191 T HA 0.396 4.745 4.350 -0.000 0.000 0.288 191 T C 1.063 175.663 174.700 -0.167 0.000 1.035 191 T CA -0.878 61.128 62.100 -0.158 0.000 1.028 191 T CB 1.959 70.772 68.868 -0.092 0.000 1.109 191 T HN 0.638 nan 8.240 nan 0.000 0.514 192 R N 0.252 120.670 120.500 -0.137 0.000 2.170 192 R HA -0.131 4.208 4.340 -0.000 0.000 0.242 192 R C 1.811 178.060 176.300 -0.085 0.000 1.145 192 R CA 2.087 58.119 56.100 -0.112 0.000 0.984 192 R CB -0.988 29.266 30.300 -0.075 0.000 0.869 192 R HN 0.828 nan 8.270 nan 0.000 0.455 193 T N 0.865 115.376 114.554 -0.071 0.000 2.737 193 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 193 T C 1.113 175.784 174.700 -0.048 0.000 1.038 193 T CA 1.404 63.474 62.100 -0.050 0.000 1.144 193 T CB -0.327 68.516 68.868 -0.040 0.000 0.866 193 T HN 0.337 nan 8.240 nan 0.000 0.434 194 D N 1.401 121.764 120.400 -0.062 0.000 2.116 194 D HA -0.085 4.555 4.640 -0.000 0.000 0.193 194 D C 2.189 178.470 176.300 -0.032 0.000 0.998 194 D CA 0.956 54.929 54.000 -0.046 0.000 0.836 194 D CB -0.397 40.357 40.800 -0.077 0.000 0.951 194 D HN 0.327 nan 8.370 nan 0.000 0.449 195 L N 0.710 121.884 121.223 -0.082 0.000 1.976 195 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 195 L C 2.504 179.356 176.870 -0.029 0.000 1.071 195 L CA 1.304 56.102 54.840 -0.070 0.000 0.746 195 L CB -0.490 41.503 42.059 -0.110 0.000 0.890 195 L HN -0.037 nan 8.230 nan 0.000 0.432 196 K N -0.226 120.149 120.400 -0.042 0.000 2.147 196 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 196 K C 1.729 178.304 176.600 -0.041 0.000 1.049 196 K CA 1.257 57.518 56.287 -0.044 0.000 0.936 196 K CB -0.214 32.264 32.500 -0.038 0.000 0.722 196 K HN 0.341 nan 8.250 nan 0.000 0.446 197 D N 0.209 120.598 120.400 -0.019 0.000 2.097 197 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 197 D C 1.795 178.084 176.300 -0.018 0.000 0.989 197 D CA 1.087 55.078 54.000 -0.016 0.000 0.827 197 D CB -0.198 40.601 40.800 -0.001 0.000 0.966 197 D HN 0.170 nan 8.370 nan 0.000 0.456 198 Y N 1.645 121.878 120.300 -0.111 0.000 2.165 198 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 198 Y C 2.295 178.044 175.900 -0.250 0.000 1.155 198 Y CA 1.339 59.366 58.100 -0.122 0.000 1.164 198 Y CB -0.370 38.038 38.460 -0.088 0.000 0.978 198 Y HN -0.079 nan 8.280 nan 0.000 0.513 199 I N -0.808 119.664 120.570 -0.164 0.000 2.127 199 I HA -0.367 3.803 4.170 -0.000 0.000 0.241 199 I C 2.243 178.132 176.117 -0.380 0.000 1.075 199 I CA 1.965 62.915 61.300 -0.584 0.000 1.334 199 I CB -0.805 36.951 38.000 -0.406 0.000 1.040 199 I HN 0.215 nan 8.210 nan 0.000 0.405 200 T N 0.503 114.948 114.554 -0.181 0.000 2.720 200 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 200 T C 1.928 176.574 174.700 -0.091 0.000 1.037 200 T CA 1.666 63.710 62.100 -0.095 0.000 1.144 200 T CB -0.210 68.624 68.868 -0.057 0.000 0.864 200 T HN 0.326 nan 8.240 nan 0.000 0.444 201 K N 0.730 121.050 120.400 -0.132 0.000 2.057 201 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 201 K C 1.867 178.387 176.600 -0.132 0.000 1.050 201 K CA 1.244 57.455 56.287 -0.127 0.000 0.935 201 K CB 0.036 32.446 32.500 -0.150 0.000 0.715 201 K HN 0.221 nan 8.250 nan 0.000 0.439 202 N N -0.609 117.966 118.700 -0.208 0.000 2.415 202 N HA -0.048 4.692 4.740 -0.000 0.000 0.174 202 N C -0.240 175.386 175.510 0.193 0.000 1.048 202 N CA 0.338 53.334 53.050 -0.089 0.000 0.895 202 N CB 0.262 38.572 38.487 -0.296 0.000 1.036 202 N HN 0.105 nan 8.380 nan 0.000 0.449 203 Y N 2.613 122.882 120.300 -0.052 0.000 2.530 203 Y HA 0.190 4.740 4.550 -0.000 0.000 0.340 203 Y C 0.316 176.211 175.900 -0.010 0.000 1.247 203 Y CA -0.387 57.712 58.100 -0.001 0.000 1.727 203 Y CB -0.625 37.853 38.460 0.031 0.000 1.613 203 Y HN -0.324 nan 8.280 nan 0.000 0.464 204 K N 0.140 120.611 120.400 0.119 0.000 2.270 204 K HA 0.398 4.718 4.320 -0.000 0.000 0.255 204 K C 1.202 177.816 176.600 0.023 0.000 0.936 204 K CA -0.381 55.939 56.287 0.055 0.000 0.809 204 K CB 2.076 34.597 32.500 0.034 0.000 1.131 204 K HN 0.558 nan 8.250 nan 0.000 0.427 205 G N 2.082 110.888 108.800 0.010 0.000 2.475 205 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.220 205 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.220 205 G C 0.800 175.691 174.900 -0.014 0.000 1.125 205 G CA 1.158 46.253 45.100 -0.009 0.000 0.755 205 G HN 0.771 nan 8.290 nan 0.000 0.565 206 D N -0.181 120.217 120.400 -0.004 0.000 2.363 206 D HA -0.027 4.613 4.640 -0.000 0.000 0.226 206 D C 1.828 178.126 176.300 -0.004 0.000 1.020 206 D CA 0.237 54.234 54.000 -0.005 0.000 0.892 206 D CB -0.136 40.664 40.800 0.001 0.000 0.900 206 D HN 0.315 nan 8.370 nan 0.000 0.531 207 R N -0.247 120.253 120.500 -0.001 0.000 2.577 207 R HA 0.317 4.657 4.340 -0.000 0.000 0.344 207 R C 0.129 176.426 176.300 -0.005 0.000 1.037 207 R CA -0.151 55.953 56.100 0.005 0.000 1.102 207 R CB 0.443 30.756 30.300 0.022 0.000 1.313 207 R HN 0.283 nan 8.270 nan 0.000 0.561 208 M N -1.983 117.600 119.600 -0.029 0.000 2.531 208 M HA 0.569 5.049 4.480 -0.000 0.000 0.286 208 M C -1.128 175.132 176.300 -0.067 0.000 1.232 208 M CA -1.230 54.041 55.300 -0.049 0.000 0.877 208 M CB 2.474 35.014 32.600 -0.100 0.000 1.726 208 M HN -0.345 nan 8.290 nan 0.000 0.463 209 V N 2.330 122.216 119.914 -0.047 0.000 2.588 209 V HA 0.553 4.673 4.120 -0.000 0.000 0.304 209 V C -1.220 174.849 176.094 -0.042 0.000 1.042 209 V CA -0.657 61.602 62.300 -0.068 0.000 0.877 209 V CB 1.965 33.717 31.823 -0.118 0.000 0.996 209 V HN 0.800 nan 8.190 nan 0.000 0.425 210 L N 4.639 125.804 121.223 -0.097 0.000 2.276 210 L HA 0.875 5.215 4.340 -0.000 0.000 0.286 210 L C 0.189 177.060 176.870 0.002 0.000 1.024 210 L CA 0.049 54.843 54.840 -0.077 0.000 0.826 210 L CB 0.800 42.752 42.059 -0.178 0.000 1.211 210 L HN 0.825 nan 8.230 nan 0.000 0.422 211 A N 3.416 126.279 122.820 0.072 0.000 2.337 211 A HA 0.957 5.277 4.320 -0.000 0.000 0.329 211 A C -0.165 177.483 177.584 0.107 0.000 1.146 211 A CA 0.034 52.090 52.037 0.031 0.000 0.800 211 A CB 1.370 20.290 19.000 -0.133 0.000 1.220 211 A HN 0.855 nan 8.150 nan 0.000 0.472 212 G N -0.719 108.135 108.800 0.089 0.000 2.696 212 G HA2 0.833 4.792 3.960 -0.000 0.000 0.295 212 G HA3 0.833 4.792 3.960 -0.000 0.000 0.295 212 G C -0.947 174.008 174.900 0.092 0.000 1.398 212 G CA 0.103 45.269 45.100 0.110 0.000 0.920 212 G HN 1.849 nan 8.290 nan 0.000 0.492 213 A N -0.606 122.265 122.820 0.086 0.000 2.594 213 A HA 1.107 5.427 4.320 -0.000 0.000 0.295 213 A C 0.330 177.941 177.584 0.045 0.000 1.071 213 A CA 0.344 52.416 52.037 0.058 0.000 0.685 213 A CB 1.377 20.396 19.000 0.032 0.000 1.285 213 A HN 2.730 nan 8.150 nan 0.000 0.405 214 G N -0.356 108.443 108.800 -0.001 0.000 2.408 214 G HA2 0.461 4.421 3.960 -0.000 0.000 0.204 214 G HA3 0.461 4.421 3.960 -0.000 0.000 0.204 214 G C 0.388 175.258 174.900 -0.049 0.000 1.186 214 G CA 0.097 45.171 45.100 -0.043 0.000 1.139 214 G HN 2.313 nan 8.290 nan 0.000 0.563 215 A N 0.083 122.912 122.820 0.014 0.000 2.915 215 A HA 0.609 4.929 4.320 -0.000 0.000 0.292 215 A C 0.044 177.743 177.584 0.192 0.000 1.632 215 A CA 0.479 52.592 52.037 0.126 0.000 1.337 215 A CB -0.546 18.516 19.000 0.103 0.000 1.111 215 A HN 1.710 nan 8.150 nan 0.000 0.569 216 V N 2.233 122.314 119.914 0.279 0.000 2.638 216 V HA 0.272 4.392 4.120 -0.000 0.000 0.306 216 V C -0.665 175.572 176.094 0.239 0.000 1.052 216 V CA -0.918 61.517 62.300 0.225 0.000 0.885 216 V CB 2.091 34.025 31.823 0.184 0.000 0.999 216 V HN 0.741 nan 8.190 nan 0.000 0.424 217 D N 2.089 122.592 120.400 0.171 0.000 2.347 217 D HA 0.170 4.810 4.640 -0.000 0.000 0.235 217 D C 0.873 177.259 176.300 0.143 0.000 1.149 217 D CA -0.042 54.033 54.000 0.126 0.000 0.850 217 D CB 1.223 42.081 40.800 0.096 0.000 1.061 217 D HN 0.710 nan 8.370 nan 0.000 0.487 218 H N 3.588 122.694 119.070 0.060 0.000 2.319 218 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 218 H C 1.246 176.605 175.328 0.050 0.000 1.092 218 H CA 2.321 58.403 56.048 0.056 0.000 1.302 218 H CB 0.503 30.285 29.762 0.034 0.000 1.373 218 H HN 0.418 nan 8.280 nan 0.000 0.497 219 E N 0.442 120.633 120.200 -0.015 0.000 2.038 219 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 219 E C 2.244 178.792 176.600 -0.086 0.000 1.000 219 E CA 1.504 57.857 56.400 -0.078 0.000 0.803 219 E CB -0.041 29.653 29.700 -0.010 0.000 0.750 219 E HN 0.471 nan 8.360 nan 0.000 0.448 220 K N -0.176 120.217 120.400 -0.012 0.000 2.063 220 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 220 K C 2.124 178.794 176.600 0.116 0.000 1.048 220 K CA 1.085 57.382 56.287 0.017 0.000 0.928 220 K CB -0.268 32.324 32.500 0.153 0.000 0.713 220 K HN 0.085 nan 8.250 nan 0.000 0.442 221 L N 0.926 122.230 121.223 0.135 0.000 2.191 221 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 221 L C 1.901 178.816 176.870 0.075 0.000 1.103 221 L CA 1.252 56.201 54.840 0.182 0.000 0.769 221 L CB -0.038 42.085 42.059 0.107 0.000 0.908 221 L HN -0.100 nan 8.230 nan 0.000 0.438 222 V N -0.633 119.223 119.914 -0.096 0.000 2.379 222 V HA -0.281 3.839 4.120 -0.000 0.000 0.245 222 V C 2.458 178.526 176.094 -0.044 0.000 1.044 222 V CA 1.859 64.093 62.300 -0.109 0.000 1.036 222 V CB -0.619 31.078 31.823 -0.209 0.000 0.664 222 V HN 0.534 nan 8.190 nan 0.000 0.453 223 Q N -0.892 118.847 119.800 -0.101 0.000 2.030 223 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 223 Q C 2.229 178.155 176.000 -0.123 0.000 0.986 223 Q CA 2.304 58.005 55.803 -0.171 0.000 0.843 223 Q CB -0.386 28.153 28.738 -0.332 0.000 0.904 223 Q HN 0.671 nan 8.270 nan 0.000 0.420 224 Y N 0.414 120.746 120.300 0.055 0.000 2.256 224 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 224 Y C 2.352 178.387 175.900 0.226 0.000 1.155 224 Y CA 0.893 59.078 58.100 0.142 0.000 1.203 224 Y CB -0.690 37.916 38.460 0.243 0.000 0.980 224 Y HN 0.173 nan 8.280 nan 0.000 0.530 225 A N -0.197 122.820 122.820 0.328 0.000 1.858 225 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 225 A C 2.179 179.930 177.584 0.280 0.000 1.190 225 A CA 1.959 54.197 52.037 0.337 0.000 0.617 225 A CB -0.817 18.277 19.000 0.156 0.000 0.827 225 A HN 0.394 nan 8.150 nan 0.000 0.443 226 Q N 0.241 120.117 119.800 0.127 0.000 2.061 226 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 226 Q C 2.039 178.066 176.000 0.045 0.000 0.984 226 Q CA 2.560 58.406 55.803 0.071 0.000 0.846 226 Q CB -0.361 28.378 28.738 0.003 0.000 0.902 226 Q HN 0.671 nan 8.270 nan 0.000 0.421 227 K N -1.353 119.022 120.400 -0.042 0.000 2.009 227 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 227 K C 1.577 178.030 176.600 -0.245 0.000 1.049 227 K CA 1.753 57.907 56.287 -0.221 0.000 0.929 227 K CB -0.247 31.992 32.500 -0.435 0.000 0.714 227 K HN 0.313 nan 8.250 nan 0.000 0.440 228 Y N -1.655 118.714 120.300 0.115 0.000 2.510 228 Y HA 0.111 4.661 4.550 -0.000 0.000 0.273 228 Y C 1.114 176.951 175.900 -0.105 0.000 1.119 228 Y CA 0.279 58.368 58.100 -0.019 0.000 1.286 228 Y CB 0.402 38.802 38.460 -0.100 0.000 1.061 228 Y HN 0.020 nan 8.280 nan 0.000 0.542 229 F N -1.883 118.213 119.950 0.242 0.000 2.728 229 F HA 0.323 4.850 4.527 -0.000 0.000 0.314 229 F C 2.159 177.943 175.800 -0.027 0.000 1.094 229 F CA 0.049 58.100 58.000 0.086 0.000 1.217 229 F CB -0.119 38.910 39.000 0.048 0.000 1.056 229 F HN -0.059 nan 8.300 nan 0.000 0.577 230 G N 0.558 109.478 108.800 0.200 0.000 2.442 230 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.219 230 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.219 230 G C 1.550 176.494 174.900 0.073 0.000 1.141 230 G CA 1.295 46.460 45.100 0.108 0.000 0.763 230 G HN 0.551 nan 8.290 nan 0.000 0.554 231 H N -0.170 118.929 119.070 0.049 0.000 2.567 231 H HA 0.118 4.674 4.556 -0.000 0.000 0.276 231 H C 0.256 175.618 175.328 0.058 0.000 1.016 231 H CA 0.270 56.339 56.048 0.035 0.000 1.186 231 H CB -0.898 28.872 29.762 0.012 0.000 1.351 231 H HN 0.112 nan 8.280 nan 0.000 0.605 232 V N 3.834 123.532 119.914 -0.360 0.000 2.555 232 V HA 0.114 4.233 4.120 -0.000 0.000 0.286 232 V C -1.851 174.214 176.094 -0.049 0.000 1.044 232 V CA -1.388 60.780 62.300 -0.219 0.000 1.026 232 V CB 1.168 32.913 31.823 -0.131 0.000 0.981 232 V HN 0.253 nan 8.190 nan 0.000 0.480 233 P HA 0.083 nan 4.420 nan 0.000 0.264 233 P C -0.374 176.934 177.300 0.014 0.000 1.193 233 P CA 0.020 63.128 63.100 0.014 0.000 0.763 233 P CB 0.406 32.121 31.700 0.025 0.000 0.810 234 K N 2.374 122.781 120.400 0.011 0.000 2.154 234 K HA 0.300 4.620 4.320 -0.000 0.000 0.264 234 K C 0.115 176.721 176.600 0.010 0.000 1.008 234 K CA -0.414 55.879 56.287 0.009 0.000 0.937 234 K CB 0.469 32.973 32.500 0.007 0.000 1.002 234 K HN 0.341 nan 8.250 nan 0.000 0.469 235 S N 1.178 116.883 115.700 0.009 0.000 2.600 235 S HA -0.020 4.450 4.470 -0.000 0.000 0.265 235 S C 0.934 175.538 174.600 0.005 0.000 1.325 235 S CA -0.401 57.803 58.200 0.007 0.000 1.002 235 S CB 0.935 64.138 63.200 0.006 0.000 0.921 235 S HN 0.737 nan 8.310 nan 0.000 0.554 236 E N -0.046 120.156 120.200 0.004 0.000 2.400 236 E HA 0.106 4.456 4.350 -0.000 0.000 0.195 236 E C -0.074 176.529 176.600 0.004 0.000 1.012 236 E CA 0.190 56.592 56.400 0.004 0.000 0.875 236 E CB 0.180 29.881 29.700 0.003 0.000 0.859 236 E HN 0.240 nan 8.360 nan 0.000 0.498 237 S N 2.545 118.247 115.700 0.004 0.000 2.078 237 S HA 0.308 4.778 4.470 -0.000 0.000 0.168 237 S C -2.457 172.146 174.600 0.005 0.000 1.542 237 S CA -1.052 57.151 58.200 0.004 0.000 1.223 237 S CB 0.872 64.075 63.200 0.004 0.000 1.152 237 S HN 0.099 nan 8.310 nan 0.000 0.452 238 P HA 0.162 nan 4.420 nan 0.000 0.266 238 P C -0.721 176.582 177.300 0.006 0.000 1.195 238 P CA -0.191 62.913 63.100 0.005 0.000 0.768 238 P CB 0.569 32.272 31.700 0.004 0.000 0.838 239 V N 0.624 120.542 119.914 0.007 0.000 2.733 239 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 239 V C -2.754 173.345 176.094 0.007 0.000 1.084 239 V CA -2.892 59.414 62.300 0.009 0.000 0.905 239 V CB 1.505 33.335 31.823 0.012 0.000 1.010 239 V HN 0.296 nan 8.190 nan 0.000 0.424 240 P HA 0.262 nan 4.420 nan 0.000 0.266 240 P C 1.252 178.555 177.300 0.004 0.000 1.195 240 P CA -0.079 63.023 63.100 0.003 0.000 0.768 240 P CB 0.679 32.382 31.700 0.004 0.000 0.838 241 L N 1.743 122.963 121.223 -0.004 0.000 2.103 241 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 241 L C 2.181 179.053 176.870 0.003 0.000 1.080 241 L CA 2.197 57.034 54.840 -0.006 0.000 0.764 241 L CB -0.900 41.144 42.059 -0.024 0.000 0.890 241 L HN 0.622 nan 8.230 nan 0.000 0.435 242 G N -1.435 107.367 108.800 0.004 0.000 2.838 242 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.210 242 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.210 242 G C 0.627 175.546 174.900 0.031 0.000 1.153 242 G CA 0.391 45.501 45.100 0.017 0.000 0.778 242 G HN 0.422 nan 8.290 nan 0.000 0.539 243 S N 1.926 117.642 115.700 0.026 0.000 2.572 243 S HA 0.383 4.853 4.470 -0.000 0.000 0.279 243 S C -2.176 172.446 174.600 0.037 0.000 1.341 243 S CA -1.201 57.017 58.200 0.029 0.000 1.043 243 S CB 0.945 64.158 63.200 0.022 0.000 0.887 243 S HN 0.156 nan 8.310 nan 0.000 0.516 244 P HA 0.018 nan 4.420 nan 0.000 0.258 244 P C 0.484 177.807 177.300 0.037 0.000 1.172 244 P CA -0.048 63.078 63.100 0.044 0.000 0.762 244 P CB 0.528 32.253 31.700 0.041 0.000 0.764 245 R N 3.597 124.122 120.500 0.041 0.000 2.083 245 R HA -0.035 4.305 4.340 -0.000 0.000 0.237 245 R C 1.321 177.636 176.300 0.026 0.000 1.137 245 R CA 2.402 58.522 56.100 0.032 0.000 0.951 245 R CB -0.651 29.669 30.300 0.033 0.000 0.851 245 R HN 0.770 nan 8.270 nan 0.000 0.434 246 G N -2.354 106.464 108.800 0.029 0.000 2.623 246 G HA2 0.191 4.151 3.960 -0.000 0.000 0.085 246 G HA3 0.191 4.151 3.960 -0.000 0.000 0.085 246 G C -2.390 172.528 174.900 0.031 0.000 1.116 246 G CA -0.566 44.549 45.100 0.026 0.000 1.200 246 G HN 0.171 nan 8.290 nan 0.000 0.556 247 P HA 0.540 nan 4.420 nan 0.000 0.271 247 P C -0.469 176.858 177.300 0.045 0.000 1.233 247 P CA -0.442 62.681 63.100 0.037 0.000 0.764 247 P CB 0.733 32.453 31.700 0.035 0.000 0.825 248 L N 6.720 127.977 121.223 0.056 0.000 2.525 248 L HA 0.119 4.459 4.340 -0.000 0.000 0.278 248 L C -1.630 175.292 176.870 0.086 0.000 1.218 248 L CA -0.753 54.131 54.840 0.072 0.000 0.878 248 L CB -1.128 40.980 42.059 0.081 0.000 1.127 248 L HN 0.383 nan 8.230 nan 0.000 0.492 249 P HA 0.101 nan 4.420 nan 0.000 0.268 249 P C -1.102 176.326 177.300 0.213 0.000 1.208 249 P CA -0.179 62.999 63.100 0.130 0.000 0.777 249 P CB 0.657 32.397 31.700 0.066 0.000 0.875 250 V N 3.923 123.984 119.914 0.245 0.000 2.487 250 V HA 0.468 4.588 4.120 -0.000 0.000 0.298 250 V C -1.156 175.078 176.094 0.233 0.000 1.028 250 V CA -1.044 61.388 62.300 0.221 0.000 0.860 250 V CB 0.778 32.685 31.823 0.139 0.000 0.991 250 V HN 0.330 nan 8.190 nan 0.000 0.427 251 F N 7.382 127.367 119.950 0.058 0.000 2.472 251 F HA 0.526 5.053 4.527 -0.000 0.000 0.364 251 F C 0.270 176.036 175.800 -0.057 0.000 1.090 251 F CA -0.209 57.753 58.000 -0.063 0.000 1.188 251 F CB 0.113 39.075 39.000 -0.064 0.000 1.105 251 F HN 0.596 nan 8.300 nan 0.000 0.536 252 C N 7.325 126.405 119.300 -0.366 0.000 2.303 252 C HA 0.495 4.955 4.460 -0.000 0.000 0.326 252 C C 0.020 174.850 174.990 -0.267 0.000 1.285 252 C CA -1.086 57.825 59.018 -0.179 0.000 1.675 252 C CB 0.492 28.144 27.740 -0.147 0.000 2.289 252 C HN 0.872 nan 8.230 nan 0.000 0.512 253 R N 2.459 122.960 120.500 0.003 0.000 2.543 253 R HA 0.661 5.001 4.340 -0.000 0.000 0.277 253 R C 0.048 176.330 176.300 -0.031 0.000 1.074 253 R CA 0.123 56.254 56.100 0.053 0.000 1.076 253 R CB 0.482 30.862 30.300 0.133 0.000 0.993 253 R HN 0.938 nan 8.270 nan 0.000 0.459 254 G N 1.351 110.123 108.800 -0.047 0.000 2.523 254 G HA2 0.348 4.308 3.960 -0.000 0.000 0.291 254 G HA3 0.348 4.308 3.960 -0.000 0.000 0.291 254 G C -1.885 172.969 174.900 -0.077 0.000 1.450 254 G CA -0.986 44.082 45.100 -0.054 0.000 0.790 254 G HN 0.767 nan 8.290 nan 0.000 0.496 255 E N -0.567 119.575 120.200 -0.097 0.000 2.356 255 E HA 0.716 5.066 4.350 -0.000 0.000 0.275 255 E C -1.143 175.308 176.600 -0.248 0.000 0.904 255 E CA -1.167 55.097 56.400 -0.226 0.000 0.757 255 E CB 3.018 32.561 29.700 -0.261 0.000 1.232 255 E HN 0.467 nan 8.360 nan 0.000 0.442 256 R N 2.805 123.076 120.500 -0.381 0.000 2.500 256 R HA 0.329 4.669 4.340 -0.000 0.000 0.299 256 R C -1.763 174.306 176.300 -0.384 0.000 1.038 256 R CA -0.627 55.319 56.100 -0.258 0.000 0.903 256 R CB 0.931 31.144 30.300 -0.146 0.000 1.177 256 R HN 0.486 nan 8.270 nan 0.000 0.455 257 F N 5.580 125.499 119.950 -0.052 0.000 2.361 257 F HA 0.428 4.955 4.527 -0.000 0.000 0.364 257 F C 0.476 176.230 175.800 -0.077 0.000 1.120 257 F CA -0.540 57.425 58.000 -0.059 0.000 1.102 257 F CB 1.218 40.193 39.000 -0.042 0.000 1.183 257 F HN 0.293 nan 8.300 nan 0.000 0.476 258 I N 4.303 124.897 120.570 0.040 0.000 2.361 258 I HA 0.171 4.341 4.170 -0.000 0.000 0.282 258 I C 0.175 176.294 176.117 0.004 0.000 1.075 258 I CA -0.647 60.637 61.300 -0.026 0.000 1.205 258 I CB 0.595 38.507 38.000 -0.148 0.000 1.406 258 I HN 0.486 nan 8.210 nan 0.000 0.481 259 K N 4.766 125.180 120.400 0.024 0.000 2.451 259 K HA 0.058 4.378 4.320 -0.000 0.000 0.280 259 K C -0.106 176.488 176.600 -0.011 0.000 1.020 259 K CA 0.417 56.708 56.287 0.007 0.000 1.008 259 K CB 0.530 33.030 32.500 0.000 0.000 0.917 259 K HN 0.382 nan 8.250 nan 0.000 0.478 260 E N 4.010 124.198 120.200 -0.021 0.000 2.829 260 E HA 0.127 4.477 4.350 -0.000 0.000 0.350 260 E C -0.880 175.701 176.600 -0.031 0.000 1.119 260 E CA -0.286 56.096 56.400 -0.029 0.000 0.764 260 E CB -0.063 29.606 29.700 -0.052 0.000 1.576 260 E HN 0.584 nan 8.360 nan 0.000 0.379 261 N N 1.250 119.937 118.700 -0.021 0.000 2.575 261 N HA -0.077 4.663 4.740 -0.000 0.000 0.192 261 N C 1.078 176.578 175.510 -0.016 0.000 1.200 261 N CA 1.170 54.208 53.050 -0.020 0.000 0.897 261 N CB 0.364 38.841 38.487 -0.017 0.000 0.990 261 N HN 0.593 nan 8.380 nan 0.000 0.449 262 T N -2.460 112.085 114.554 -0.015 0.000 3.037 262 T HA 0.176 4.525 4.350 -0.000 0.000 0.251 262 T C 0.840 175.537 174.700 -0.003 0.000 1.079 262 T CA -0.189 61.909 62.100 -0.003 0.000 1.067 262 T CB 0.113 68.987 68.868 0.009 0.000 0.948 262 T HN -0.025 nan 8.240 nan 0.000 0.496 263 L N 2.203 123.408 121.223 -0.031 0.000 2.410 263 L HA 0.286 4.626 4.340 -0.000 0.000 0.273 263 L C -1.435 175.427 176.870 -0.014 0.000 1.152 263 L CA -1.884 52.929 54.840 -0.045 0.000 0.855 263 L CB 1.014 42.977 42.059 -0.161 0.000 1.129 263 L HN 0.019 nan 8.230 nan 0.000 0.463 264 P HA -0.043 nan 4.420 nan 0.000 0.220 264 P C 0.237 177.543 177.300 0.011 0.000 1.152 264 P CA 0.749 63.863 63.100 0.024 0.000 0.812 264 P CB 0.182 31.913 31.700 0.053 0.000 0.792 265 T N -4.128 110.440 114.554 0.024 0.000 2.912 265 T HA 0.589 4.939 4.350 -0.000 0.000 0.288 265 T C -0.337 174.310 174.700 -0.088 0.000 1.030 265 T CA -0.612 61.463 62.100 -0.042 0.000 1.020 265 T CB 1.451 70.290 68.868 -0.048 0.000 1.056 265 T HN -0.311 nan 8.240 nan 0.000 0.480 266 T N 2.184 116.630 114.554 -0.180 0.000 2.823 266 T HA 0.465 4.815 4.350 -0.000 0.000 0.279 266 T C -0.841 173.684 174.700 -0.291 0.000 0.998 266 T CA -0.673 61.360 62.100 -0.112 0.000 0.994 266 T CB 0.561 69.397 68.868 -0.054 0.000 0.960 266 T HN 0.659 nan 8.240 nan 0.000 0.448 267 H N 2.527 121.564 119.070 -0.054 0.000 2.547 267 H HA 0.527 5.083 4.556 -0.000 0.000 0.342 267 H C -0.933 174.375 175.328 -0.034 0.000 1.048 267 H CA -0.630 55.393 56.048 -0.042 0.000 1.204 267 H CB 1.621 31.453 29.762 0.118 0.000 1.493 267 H HN 0.328 nan 8.280 nan 0.000 0.511 268 I N 2.058 122.622 120.570 -0.011 0.000 2.498 268 I HA 0.472 4.641 4.170 -0.000 0.000 0.290 268 I C -0.260 175.901 176.117 0.073 0.000 1.032 268 I CA -0.511 60.795 61.300 0.010 0.000 1.073 268 I CB 2.094 40.083 38.000 -0.019 0.000 1.251 268 I HN 0.617 nan 8.210 nan 0.000 0.426 269 A N 6.950 129.811 122.820 0.068 0.000 2.356 269 A HA 0.924 5.244 4.320 -0.000 0.000 0.310 269 A C -0.865 176.820 177.584 0.168 0.000 1.075 269 A CA -0.419 51.698 52.037 0.133 0.000 0.746 269 A CB 0.818 19.701 19.000 -0.197 0.000 1.221 269 A HN 0.649 nan 8.150 nan 0.000 0.443 270 I N 1.868 122.630 120.570 0.321 0.000 2.466 270 I HA 0.641 4.811 4.170 -0.000 0.000 0.289 270 I C 0.221 176.596 176.117 0.431 0.000 1.026 270 I CA -0.265 61.219 61.300 0.308 0.000 1.078 270 I CB 2.038 40.201 38.000 0.271 0.000 1.249 270 I HN 0.786 nan 8.210 nan 0.000 0.429 271 A N 6.629 129.687 122.820 0.395 0.000 2.515 271 A HA 0.975 5.294 4.320 -0.000 0.000 0.296 271 A C -1.509 176.297 177.584 0.370 0.000 1.094 271 A CA -0.452 51.837 52.037 0.421 0.000 0.718 271 A CB 1.747 21.079 19.000 0.552 0.000 1.307 271 A HN 0.542 nan 8.150 nan 0.000 0.408 272 L N -0.025 121.322 121.223 0.205 0.000 2.350 272 L HA 0.508 4.848 4.340 -0.000 0.000 0.260 272 L C 0.177 176.828 176.870 -0.365 0.000 1.015 272 L CA -0.542 54.170 54.840 -0.212 0.000 0.821 272 L CB 1.938 43.825 42.059 -0.287 0.000 1.370 272 L HN 0.900 nan 8.230 nan 0.000 0.416 273 E N 0.185 119.750 120.200 -1.058 0.000 2.558 273 E HA 0.255 4.605 4.350 -0.000 0.000 0.255 273 E C 0.267 176.755 176.600 -0.186 0.000 0.968 273 E CA 0.574 56.653 56.400 -0.536 0.000 0.939 273 E CB 0.633 29.986 29.700 -0.577 0.000 0.921 273 E HN 0.657 nan 8.360 nan 0.000 0.477 274 G N 3.232 112.078 108.800 0.077 0.000 3.137 274 G HA2 0.358 4.318 3.960 -0.000 0.000 0.163 274 G HA3 0.358 4.318 3.960 -0.000 0.000 0.163 274 G C -0.715 174.279 174.900 0.157 0.000 1.602 274 G CA -0.290 44.909 45.100 0.165 0.000 1.067 274 G HN 0.523 nan 8.290 nan 0.000 0.568 275 V N -0.158 119.864 119.914 0.180 0.000 2.876 275 V HA 0.605 4.725 4.120 -0.000 0.000 0.312 275 V C 0.154 176.300 176.094 0.087 0.000 1.085 275 V CA -0.330 62.069 62.300 0.165 0.000 0.945 275 V CB 2.125 34.068 31.823 0.200 0.000 1.017 275 V HN 1.056 nan 8.190 nan 0.000 0.428 276 S N 2.977 118.729 115.700 0.086 0.000 2.693 276 S HA 0.320 4.789 4.470 -0.000 0.000 0.276 276 S C 0.498 175.074 174.600 -0.041 0.000 1.192 276 S CA -0.338 57.860 58.200 -0.004 0.000 0.994 276 S CB 0.769 64.022 63.200 0.089 0.000 1.012 276 S HN 0.735 nan 8.310 nan 0.000 0.550 277 W N 0.803 122.069 121.300 -0.058 0.000 2.350 277 W HA -0.077 4.583 4.660 -0.000 0.000 0.289 277 W C 2.620 178.903 176.519 -0.393 0.000 1.215 277 W CA 1.090 58.220 57.345 -0.359 0.000 1.236 277 W CB -0.383 28.927 29.460 -0.249 0.000 1.130 277 W HN 0.868 nan 8.180 nan 0.000 0.541 278 S N -0.675 115.065 115.700 0.066 0.000 2.556 278 S HA 0.465 4.935 4.470 -0.000 0.000 0.216 278 S C 0.974 175.605 174.600 0.052 0.000 0.970 278 S CA -0.089 58.130 58.200 0.033 0.000 0.912 278 S CB -0.531 62.707 63.200 0.064 0.000 0.790 278 S HN 0.107 nan 8.310 nan 0.000 0.504 279 A N 3.196 126.062 122.820 0.077 0.000 2.565 279 A HA 0.351 4.671 4.320 -0.000 0.000 0.237 279 A C -0.979 176.679 177.584 0.124 0.000 1.053 279 A CA -0.856 51.248 52.037 0.111 0.000 0.755 279 A CB -0.145 18.945 19.000 0.150 0.000 0.980 279 A HN 0.309 nan 8.150 nan 0.000 0.506 280 P HA -0.090 nan 4.420 nan 0.000 0.222 280 P C 0.343 177.735 177.300 0.152 0.000 1.147 280 P CA 1.431 64.605 63.100 0.123 0.000 0.790 280 P CB 0.095 31.845 31.700 0.083 0.000 0.780 281 D N -2.517 117.973 120.400 0.150 0.000 2.342 281 D HA -0.075 4.565 4.640 -0.000 0.000 0.221 281 D C 1.519 177.845 176.300 0.044 0.000 1.101 281 D CA -0.586 53.496 54.000 0.138 0.000 0.837 281 D CB -1.122 39.835 40.800 0.262 0.000 0.938 281 D HN 0.127 nan 8.370 nan 0.000 0.508 282 Y N 1.449 121.697 120.300 -0.087 0.000 2.040 282 Y HA -0.310 4.240 4.550 -0.000 0.000 0.275 282 Y C 1.419 177.110 175.900 -0.349 0.000 1.171 282 Y CA 1.935 59.876 58.100 -0.266 0.000 1.123 282 Y CB -0.560 37.633 38.460 -0.446 0.000 0.963 282 Y HN -0.090 nan 8.280 nan 0.000 0.493 283 F N -1.131 118.751 119.950 -0.113 0.000 2.234 283 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 283 F C 2.403 178.021 175.800 -0.305 0.000 1.087 283 F CA 1.290 59.157 58.000 -0.221 0.000 1.340 283 F CB -1.073 37.905 39.000 -0.037 0.000 1.031 283 F HN -0.098 nan 8.300 nan 0.000 0.500 284 V N -0.117 119.701 119.914 -0.160 0.000 2.515 284 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 284 V C 2.531 178.162 176.094 -0.771 0.000 1.058 284 V CA 1.601 63.692 62.300 -0.348 0.000 1.064 284 V CB -1.227 30.426 31.823 -0.282 0.000 0.675 284 V HN 0.360 nan 8.190 nan 0.000 0.461 285 A N -0.176 122.063 122.820 -0.967 0.000 1.898 285 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 285 A C 2.198 179.468 177.584 -0.524 0.000 1.181 285 A CA 1.507 52.787 52.037 -1.262 0.000 0.620 285 A CB -0.440 18.140 19.000 -0.701 0.000 0.819 285 A HN 0.480 nan 8.150 nan 0.000 0.442 286 L N -0.787 120.182 121.223 -0.422 0.000 2.046 286 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 286 L C 3.122 179.905 176.870 -0.145 0.000 1.077 286 L CA 1.067 55.759 54.840 -0.247 0.000 0.747 286 L CB -0.685 41.197 42.059 -0.294 0.000 0.896 286 L HN 0.456 nan 8.230 nan 0.000 0.432 287 A N -0.135 122.582 122.820 -0.172 0.000 1.908 287 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 287 A C 2.340 179.879 177.584 -0.075 0.000 1.181 287 A CA 2.441 54.414 52.037 -0.108 0.000 0.627 287 A CB -0.903 18.027 19.000 -0.116 0.000 0.818 287 A HN 0.408 nan 8.150 nan 0.000 0.445 288 T N -0.555 113.916 114.554 -0.138 0.000 2.867 288 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 288 T C 2.029 176.858 174.700 0.215 0.000 1.057 288 T CA 1.388 63.490 62.100 0.004 0.000 1.136 288 T CB -0.206 68.561 68.868 -0.169 0.000 0.874 288 T HN 0.655 nan 8.240 nan 0.000 0.466 289 Q N 0.797 120.717 119.800 0.201 0.000 2.084 289 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 289 Q C 2.463 178.482 176.000 0.033 0.000 0.978 289 Q CA 1.464 57.296 55.803 0.048 0.000 0.844 289 Q CB -0.270 28.386 28.738 -0.136 0.000 0.898 289 Q HN 0.544 nan 8.270 nan 0.000 0.426 290 A N 0.532 123.369 122.820 0.028 0.000 2.015 290 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 290 A C 1.934 179.557 177.584 0.066 0.000 1.163 290 A CA 0.818 52.877 52.037 0.036 0.000 0.646 290 A CB -0.440 18.568 19.000 0.013 0.000 0.806 290 A HN 0.471 nan 8.150 nan 0.000 0.448 291 I N -0.623 119.995 120.570 0.080 0.000 2.353 291 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 291 I C 2.168 178.362 176.117 0.128 0.000 1.119 291 I CA 0.856 62.213 61.300 0.094 0.000 1.417 291 I CB 0.042 38.099 38.000 0.094 0.000 1.078 291 I HN 0.171 nan 8.210 nan 0.000 0.421 292 V N 0.319 120.333 119.914 0.166 0.000 2.407 292 V HA 0.095 4.215 4.120 -0.000 0.000 0.245 292 V C 1.494 177.708 176.094 0.199 0.000 1.041 292 V CA 1.053 63.464 62.300 0.184 0.000 1.040 292 V CB -1.337 30.633 31.823 0.245 0.000 0.671 292 V HN 0.656 nan 8.190 nan 0.000 0.455 293 G N 1.085 109.987 108.800 0.170 0.000 2.601 293 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.261 293 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.261 293 G C -0.350 174.726 174.900 0.293 0.000 1.289 293 G CA 0.205 45.415 45.100 0.184 0.000 0.920 293 G HN 0.505 nan 8.290 nan 0.000 0.571 294 N N -1.151 117.680 118.700 0.218 0.000 2.453 294 N HA 0.713 5.453 4.740 -0.000 0.000 0.290 294 N C -1.232 174.241 175.510 -0.062 0.000 1.250 294 N CA -0.119 53.011 53.050 0.132 0.000 0.815 294 N CB 2.139 40.672 38.487 0.077 0.000 1.381 294 N HN 0.928 nan 8.380 nan 0.000 0.510 295 W N 0.431 121.337 121.300 -0.658 0.000 3.479 295 W HA 0.337 4.997 4.660 -0.000 0.000 0.304 295 W C -2.094 174.154 176.519 -0.453 0.000 1.243 295 W CA -0.435 56.522 57.345 -0.647 0.000 1.202 295 W CB 1.280 30.088 29.460 -1.086 0.000 1.346 295 W HN 0.305 nan 8.180 nan 0.000 0.539 296 D N 4.835 124.471 120.400 -1.273 0.000 2.757 296 D HA 0.203 4.842 4.640 -0.000 0.000 0.249 296 D C 0.898 176.190 176.300 -1.680 0.000 1.168 296 D CA -0.446 52.845 54.000 -1.182 0.000 0.870 296 D CB 2.117 42.582 40.800 -0.559 0.000 1.411 296 D HN 0.728 nan 8.370 nan 0.000 0.525 297 R N 2.755 122.286 120.500 -1.615 0.000 2.153 297 R HA -0.233 4.107 4.340 -0.000 0.000 0.252 297 R C 1.455 177.507 176.300 -0.413 0.000 1.158 297 R CA 2.362 57.910 56.100 -0.920 0.000 0.975 297 R CB 0.077 30.167 30.300 -0.350 0.000 0.871 297 R HN 0.453 nan 8.270 nan 0.000 0.450 298 A N -0.172 122.428 122.820 -0.366 0.000 1.956 298 A HA 0.093 4.413 4.320 -0.000 0.000 0.212 298 A C 1.810 179.282 177.584 -0.185 0.000 1.188 298 A CA 0.291 52.208 52.037 -0.199 0.000 0.675 298 A CB 0.228 19.141 19.000 -0.145 0.000 0.845 298 A HN 0.223 nan 8.150 nan 0.000 0.455 299 I N -1.066 119.351 120.570 -0.255 0.000 3.035 299 I HA 0.218 4.387 4.170 -0.000 0.000 0.271 299 I C 1.571 177.588 176.117 -0.167 0.000 1.190 299 I CA 1.297 62.487 61.300 -0.184 0.000 1.472 299 I CB -1.672 36.224 38.000 -0.173 0.000 1.116 299 I HN 0.467 nan 8.210 nan 0.000 0.443 300 G N 1.615 110.250 108.800 -0.276 0.000 2.466 300 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 300 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 300 G C 0.651 175.513 174.900 -0.064 0.000 1.237 300 G CA 0.444 45.490 45.100 -0.090 0.000 0.954 300 G HN 0.262 nan 8.290 nan 0.000 0.580 301 T N -2.334 112.273 114.554 0.087 0.000 3.014 301 T HA 0.479 4.829 4.350 -0.000 0.000 0.250 301 T C 2.410 177.132 174.700 0.037 0.000 1.060 301 T CA 1.726 63.883 62.100 0.095 0.000 1.040 301 T CB 0.511 69.474 68.868 0.157 0.000 0.971 301 T HN 2.833 nan 8.240 nan 0.000 0.497 302 G N 0.740 109.551 108.800 0.018 0.000 2.159 302 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.256 302 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.256 302 G C 0.118 175.033 174.900 0.026 0.000 0.977 302 G CA 0.260 45.366 45.100 0.011 0.000 0.652 302 G HN 0.787 nan 8.290 nan 0.000 0.531 303 T N -0.190 114.388 114.554 0.040 0.000 2.908 303 T HA 0.462 4.812 4.350 -0.000 0.000 0.290 303 T C 1.129 175.854 174.700 0.041 0.000 1.034 303 T CA -0.004 62.122 62.100 0.043 0.000 1.010 303 T CB 1.673 70.574 68.868 0.056 0.000 1.068 303 T HN 0.151 nan 8.240 nan 0.000 0.481 304 N N 0.976 119.697 118.700 0.034 0.000 2.244 304 N HA -0.068 4.672 4.740 -0.000 0.000 0.183 304 N C -0.144 175.387 175.510 0.036 0.000 1.016 304 N CA 0.647 53.716 53.050 0.031 0.000 0.866 304 N CB 0.271 38.773 38.487 0.025 0.000 0.980 304 N HN 0.377 nan 8.380 nan 0.000 0.430 305 S N 1.691 117.415 115.700 0.040 0.000 2.707 305 S HA 0.462 4.932 4.470 -0.000 0.000 0.312 305 S C -2.591 172.041 174.600 0.052 0.000 1.116 305 S CA -0.976 57.248 58.200 0.041 0.000 1.078 305 S CB 2.192 65.411 63.200 0.033 0.000 0.997 305 S HN 0.160 nan 8.310 nan 0.000 0.477 306 P HA 0.258 nan 4.420 nan 0.000 0.275 306 P C -0.070 177.260 177.300 0.050 0.000 1.228 306 P CA -0.475 62.667 63.100 0.071 0.000 0.786 306 P CB 0.516 32.262 31.700 0.076 0.000 0.927 307 S N 2.137 117.872 115.700 0.058 0.000 2.624 307 S HA 0.265 4.735 4.470 -0.000 0.000 0.263 307 S C -1.722 172.880 174.600 0.004 0.000 1.287 307 S CA -0.899 57.325 58.200 0.040 0.000 0.990 307 S CB -0.052 63.185 63.200 0.062 0.000 0.950 307 S HN 0.219 nan 8.310 nan 0.000 0.561 308 P HA -0.056 nan 4.420 nan 0.000 0.219 308 P C 1.554 178.808 177.300 -0.076 0.000 1.146 308 P CA 0.392 63.470 63.100 -0.037 0.000 0.808 308 P CB -0.029 31.654 31.700 -0.029 0.000 0.779 309 L N -0.034 121.141 121.223 -0.080 0.000 2.005 309 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 309 L C 2.209 178.981 176.870 -0.163 0.000 1.072 309 L CA 2.152 56.905 54.840 -0.146 0.000 0.744 309 L CB -1.607 40.339 42.059 -0.187 0.000 0.895 309 L HN -0.112 nan 8.230 nan 0.000 0.433 310 A N -1.009 121.759 122.820 -0.086 0.000 1.933 310 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 310 A C 2.278 179.626 177.584 -0.394 0.000 1.175 310 A CA 2.013 53.876 52.037 -0.289 0.000 0.628 310 A CB -1.133 17.843 19.000 -0.040 0.000 0.814 310 A HN 0.342 nan 8.150 nan 0.000 0.444 311 V N -0.274 119.531 119.914 -0.181 0.000 2.307 311 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 311 V C 3.071 179.058 176.094 -0.178 0.000 1.045 311 V CA 1.931 64.153 62.300 -0.130 0.000 1.024 311 V CB -1.188 30.598 31.823 -0.063 0.000 0.651 311 V HN 0.621 nan 8.190 nan 0.000 0.449 312 A N 0.015 122.722 122.820 -0.188 0.000 1.902 312 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 312 A C 2.438 179.868 177.584 -0.257 0.000 1.181 312 A CA 2.187 54.116 52.037 -0.180 0.000 0.623 312 A CB -0.880 18.023 19.000 -0.161 0.000 0.818 312 A HN 0.585 nan 8.150 nan 0.000 0.443 313 A N 0.265 122.825 122.820 -0.434 0.000 1.908 313 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 313 A C 2.459 179.701 177.584 -0.570 0.000 1.181 313 A CA 2.497 54.145 52.037 -0.647 0.000 0.627 313 A CB -0.922 17.353 19.000 -1.209 0.000 0.818 313 A HN 1.103 nan 8.150 nan 0.000 0.445 314 S N -0.966 114.448 115.700 -0.476 0.000 2.527 314 S HA 0.069 4.539 4.470 -0.000 0.000 0.222 314 S C 0.880 175.494 174.600 0.022 0.000 0.985 314 S CA -0.042 58.152 58.200 -0.011 0.000 0.921 314 S CB -0.234 63.072 63.200 0.177 0.000 0.772 314 S HN 0.662 nan 8.310 nan 0.000 0.529 315 Q N 2.274 122.044 119.800 -0.049 0.000 2.382 315 Q HA 0.204 4.544 4.340 -0.000 0.000 0.229 315 Q C -0.157 175.847 176.000 0.006 0.000 1.006 315 Q CA -0.300 55.494 55.803 -0.015 0.000 0.916 315 Q CB 0.204 28.920 28.738 -0.037 0.000 1.235 315 Q HN 0.668 nan 8.270 nan 0.000 0.512 316 N N 0.201 118.909 118.700 0.013 0.000 2.725 316 N HA -0.312 4.428 4.740 -0.000 0.000 0.280 316 N C 0.454 175.988 175.510 0.039 0.000 1.017 316 N CA 0.720 53.782 53.050 0.020 0.000 0.813 316 N CB -1.470 37.023 38.487 0.009 0.000 0.931 316 N HN 1.036 nan 8.380 nan 0.000 0.570 317 G N -0.612 108.221 108.800 0.056 0.000 2.268 317 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.240 317 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.240 317 G C 0.060 175.046 174.900 0.143 0.000 1.010 317 G CA 1.094 46.241 45.100 0.078 0.000 0.618 317 G HN 2.469 nan 8.290 nan 0.000 0.516 318 S N -2.368 113.419 115.700 0.145 0.000 2.922 318 S HA -0.030 4.440 4.470 -0.000 0.000 0.854 318 S C 0.288 174.985 174.600 0.162 0.000 0.921 318 S CA 0.458 58.774 58.200 0.194 0.000 1.418 318 S CB -1.107 62.298 63.200 0.341 0.000 1.015 318 S HN 1.365 nan 8.310 nan 0.000 0.230 319 L N 1.343 122.530 121.223 -0.060 0.000 2.640 319 L HA 0.699 5.039 4.340 -0.000 0.000 0.230 319 L C 1.095 177.555 176.870 -0.683 0.000 1.123 319 L CA 0.657 55.373 54.840 -0.207 0.000 0.900 319 L CB -0.099 41.860 42.059 -0.167 0.000 1.146 319 L HN 1.161 nan 8.230 nan 0.000 0.484 320 A N -0.881 121.471 122.820 -0.780 0.000 2.483 320 A HA 0.411 4.731 4.320 -0.000 0.000 0.294 320 A C -0.543 177.001 177.584 -0.068 0.000 1.077 320 A CA -0.524 51.089 52.037 -0.707 0.000 0.633 320 A CB 0.503 19.406 19.000 -0.161 0.000 1.318 320 A HN -0.096 nan 8.150 nan 0.000 0.455 321 N N -0.070 118.647 118.700 0.028 0.000 2.409 321 N HA 0.204 4.944 4.740 -0.000 0.000 0.174 321 N C 0.218 175.646 175.510 -0.137 0.000 1.037 321 N CA 1.372 54.430 53.050 0.014 0.000 0.898 321 N CB 0.394 38.882 38.487 0.001 0.000 1.010 321 N HN 1.189 nan 8.380 nan 0.000 0.445 322 S N -1.145 114.550 115.700 -0.008 0.000 2.633 322 S HA 0.468 4.938 4.470 -0.000 0.000 0.271 322 S C -1.889 172.792 174.600 0.135 0.000 1.112 322 S CA -1.071 57.103 58.200 -0.043 0.000 0.828 322 S CB 0.691 63.793 63.200 -0.164 0.000 1.086 322 S HN 0.184 nan 8.310 nan 0.000 0.461 323 Y N -0.377 120.040 120.300 0.196 0.000 2.562 323 Y HA 0.866 5.415 4.550 -0.000 0.000 0.345 323 Y C -0.937 175.068 175.900 0.175 0.000 1.045 323 Y CA -1.475 56.703 58.100 0.129 0.000 1.028 323 Y CB 1.575 40.096 38.460 0.101 0.000 1.297 323 Y HN 1.040 nan 8.280 nan 0.000 0.463 324 M N 3.127 123.012 119.600 0.475 0.000 2.271 324 M HA 0.560 5.040 4.480 -0.000 0.000 0.285 324 M C -1.645 174.896 176.300 0.402 0.000 1.059 324 M CA -0.359 55.189 55.300 0.415 0.000 0.940 324 M CB 2.014 34.859 32.600 0.410 0.000 1.636 324 M HN 0.841 nan 8.290 nan 0.000 0.460 325 S N 4.489 120.338 115.700 0.248 0.000 2.565 325 S HA 0.694 5.163 4.470 -0.000 0.000 0.274 325 S C -0.889 173.716 174.600 0.009 0.000 1.309 325 S CA -0.367 57.837 58.200 0.007 0.000 1.043 325 S CB 0.404 63.549 63.200 -0.091 0.000 0.939 325 S HN 0.504 nan 8.310 nan 0.000 0.504 326 F N -0.326 119.517 119.950 -0.178 0.000 2.613 326 F HA 0.847 5.374 4.527 -0.000 0.000 0.314 326 F C -0.472 175.143 175.800 -0.308 0.000 1.075 326 F CA -1.032 56.868 58.000 -0.166 0.000 0.945 326 F CB 1.505 40.490 39.000 -0.025 0.000 1.310 326 F HN 0.399 nan 8.300 nan 0.000 0.467 327 S N 0.921 116.644 115.700 0.037 0.000 2.720 327 S HA 0.665 5.135 4.470 -0.000 0.000 0.278 327 S C -1.460 173.175 174.600 0.058 0.000 1.172 327 S CA -0.296 57.909 58.200 0.009 0.000 1.019 327 S CB 1.257 64.411 63.200 -0.076 0.000 1.049 327 S HN 0.877 nan 8.310 nan 0.000 0.483 328 T N 3.591 118.197 114.554 0.086 0.000 2.829 328 T HA 0.644 4.994 4.350 -0.000 0.000 0.280 328 T C -0.588 173.896 174.700 -0.360 0.000 0.999 328 T CA -0.493 61.523 62.100 -0.140 0.000 0.983 328 T CB 1.664 70.487 68.868 -0.075 0.000 0.968 328 T HN 0.457 nan 8.240 nan 0.000 0.446 329 S N 1.367 116.610 115.700 -0.761 0.000 2.566 329 S HA 0.798 5.268 4.470 -0.000 0.000 0.298 329 S C -1.499 172.287 174.600 -1.356 0.000 1.083 329 S CA -0.626 56.938 58.200 -1.060 0.000 0.978 329 S CB 0.843 63.177 63.200 -1.443 0.000 1.073 329 S HN 0.570 nan 8.310 nan 0.000 0.491 330 Y N -0.357 119.664 120.300 -0.464 0.000 2.634 330 Y HA 0.573 5.123 4.550 -0.000 0.000 0.340 330 Y C 1.041 176.990 175.900 0.081 0.000 1.058 330 Y CA -0.969 57.106 58.100 -0.042 0.000 1.081 330 Y CB 0.810 39.305 38.460 0.058 0.000 1.295 330 Y HN 0.688 nan 8.280 nan 0.000 0.487 331 A N 0.185 123.336 122.820 0.552 0.000 1.940 331 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 331 A C 0.941 178.672 177.584 0.245 0.000 1.176 331 A CA 2.437 54.729 52.037 0.425 0.000 0.631 331 A CB -0.701 18.476 19.000 0.295 0.000 0.814 331 A HN 0.800 nan 8.150 nan 0.000 0.446 332 D N -2.722 117.805 120.400 0.211 0.000 2.479 332 D HA 0.412 5.052 4.640 -0.000 0.000 0.218 332 D C 0.235 176.639 176.300 0.173 0.000 1.177 332 D CA 0.540 54.633 54.000 0.155 0.000 0.830 332 D CB 0.200 41.066 40.800 0.111 0.000 1.014 332 D HN 0.186 nan 8.370 nan 0.000 0.503 333 S N -1.821 114.013 115.700 0.223 0.000 2.656 333 S HA 0.727 5.197 4.470 -0.000 0.000 0.265 333 S C -1.435 173.342 174.600 0.294 0.000 1.132 333 S CA -0.296 58.074 58.200 0.283 0.000 0.819 333 S CB 1.112 64.531 63.200 0.364 0.000 1.119 333 S HN 0.489 nan 8.310 nan 0.000 0.476 334 G N 0.494 109.496 108.800 0.337 0.000 2.673 334 G HA2 0.604 4.564 3.960 -0.000 0.000 0.292 334 G HA3 0.604 4.564 3.960 -0.000 0.000 0.292 334 G C -2.359 172.741 174.900 0.333 0.000 1.450 334 G CA -0.601 44.643 45.100 0.240 0.000 0.837 334 G HN 0.732 nan 8.290 nan 0.000 0.505 335 L N 0.083 121.494 121.223 0.313 0.000 2.385 335 L HA 0.666 5.006 4.340 -0.000 0.000 0.273 335 L C -1.326 175.806 176.870 0.436 0.000 0.990 335 L CA -0.624 54.461 54.840 0.410 0.000 0.821 335 L CB 2.608 44.928 42.059 0.436 0.000 1.279 335 L HN 0.671 nan 8.230 nan 0.000 0.412 336 W N 3.572 124.937 121.300 0.108 0.000 2.839 336 W HA 0.707 5.367 4.660 -0.000 0.000 0.334 336 W C -0.134 176.144 176.519 -0.401 0.000 1.064 336 W CA -0.025 57.235 57.345 -0.143 0.000 1.236 336 W CB 2.020 31.453 29.460 -0.046 0.000 1.405 336 W HN 0.595 nan 8.180 nan 0.000 0.478 337 G N 3.402 111.415 108.800 -1.312 0.000 2.450 337 G HA2 0.450 4.410 3.960 -0.000 0.000 0.273 337 G HA3 0.450 4.410 3.960 -0.000 0.000 0.273 337 G C -2.076 172.228 174.900 -0.992 0.000 1.221 337 G CA -1.015 43.510 45.100 -0.957 0.000 0.900 337 G HN 0.484 nan 8.290 nan 0.000 0.483 338 M N 0.069 119.625 119.600 -0.074 0.000 2.395 338 M HA 0.761 5.241 4.480 -0.000 0.000 0.307 338 M C -2.041 174.618 176.300 0.599 0.000 1.091 338 M CA -1.092 54.347 55.300 0.232 0.000 0.919 338 M CB 1.995 34.667 32.600 0.120 0.000 1.662 338 M HN 0.650 nan 8.290 nan 0.000 0.440 339 Y N 5.455 126.047 120.300 0.485 0.000 2.335 339 Y HA 0.789 5.338 4.550 -0.000 0.000 0.338 339 Y C -1.660 174.397 175.900 0.261 0.000 0.977 339 Y CA -1.304 57.018 58.100 0.371 0.000 1.114 339 Y CB 0.906 39.636 38.460 0.450 0.000 1.182 339 Y HN 0.689 nan 8.280 nan 0.000 0.463 340 I N 6.662 127.049 120.570 -0.305 0.000 2.509 340 I HA 0.506 4.676 4.170 -0.000 0.000 0.293 340 I C -1.135 174.685 176.117 -0.495 0.000 1.020 340 I CA -1.213 59.918 61.300 -0.282 0.000 1.088 340 I CB 2.001 39.934 38.000 -0.112 0.000 1.267 340 I HN 0.284 nan 8.210 nan 0.000 0.430 341 V N 4.232 123.917 119.914 -0.381 0.000 2.407 341 V HA 0.502 4.622 4.120 -0.000 0.000 0.291 341 V C 0.179 176.144 176.094 -0.214 0.000 1.018 341 V CA -0.382 61.675 62.300 -0.404 0.000 0.842 341 V CB 1.717 33.344 31.823 -0.328 0.000 0.996 341 V HN 0.929 nan 8.190 nan 0.000 0.426 342 T N 0.024 114.467 114.554 -0.184 0.000 2.940 342 T HA 0.479 4.828 4.350 -0.000 0.000 0.288 342 T C -0.676 174.078 174.700 0.090 0.000 1.045 342 T CA -0.757 61.349 62.100 0.010 0.000 1.018 342 T CB 2.114 70.999 68.868 0.028 0.000 1.151 342 T HN 0.533 nan 8.240 nan 0.000 0.529 343 D N 0.500 121.101 120.400 0.335 0.000 2.316 343 D HA 0.207 4.847 4.640 -0.000 0.000 0.245 343 D C 1.008 177.307 176.300 -0.001 0.000 1.171 343 D CA -0.237 53.798 54.000 0.058 0.000 0.856 343 D CB 1.339 42.058 40.800 -0.134 0.000 1.090 343 D HN 0.535 nan 8.370 nan 0.000 0.476 344 S N 3.616 119.304 115.700 -0.021 0.000 2.420 344 S HA -0.160 4.309 4.470 -0.000 0.000 0.237 344 S C 1.343 175.920 174.600 -0.038 0.000 1.023 344 S CA 0.971 59.155 58.200 -0.026 0.000 0.991 344 S CB 0.058 63.242 63.200 -0.027 0.000 0.792 344 S HN 0.594 nan 8.310 nan 0.000 0.488 345 N N -0.003 118.661 118.700 -0.061 0.000 2.414 345 N HA 0.103 4.843 4.740 -0.000 0.000 0.177 345 N C 1.380 176.829 175.510 -0.101 0.000 1.062 345 N CA 0.473 53.483 53.050 -0.068 0.000 0.890 345 N CB 0.077 38.529 38.487 -0.059 0.000 1.070 345 N HN 0.239 nan 8.380 nan 0.000 0.454 346 E N -0.170 119.919 120.200 -0.185 0.000 2.389 346 E HA 0.149 4.499 4.350 -0.000 0.000 0.199 346 E C -0.408 176.022 176.600 -0.284 0.000 0.978 346 E CA 0.354 56.589 56.400 -0.276 0.000 0.912 346 E CB 0.295 29.746 29.700 -0.414 0.000 0.907 346 E HN 0.420 nan 8.360 nan 0.000 0.494 347 H N -0.419 118.640 119.070 -0.019 0.000 2.472 347 H HA 0.362 4.918 4.556 -0.000 0.000 0.338 347 H C -0.466 174.842 175.328 -0.033 0.000 1.133 347 H CA -0.966 55.069 56.048 -0.022 0.000 1.216 347 H CB 1.013 30.764 29.762 -0.017 0.000 1.497 347 H HN -0.144 nan 8.280 nan 0.000 0.500 348 N N 3.061 121.828 118.700 0.112 0.000 2.558 348 N HA 0.010 4.750 4.740 -0.000 0.000 0.233 348 N C 0.665 176.175 175.510 -0.001 0.000 1.038 348 N CA -0.101 52.964 53.050 0.025 0.000 0.934 348 N CB 0.719 39.208 38.487 0.003 0.000 1.175 348 N HN 0.422 nan 8.380 nan 0.000 0.512 349 V N 4.269 124.174 119.914 -0.015 0.000 2.317 349 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 349 V C 2.506 178.553 176.094 -0.079 0.000 1.065 349 V CA 2.160 64.433 62.300 -0.046 0.000 1.049 349 V CB -0.624 31.177 31.823 -0.037 0.000 0.651 349 V HN 0.713 nan 8.190 nan 0.000 0.450 350 R N -0.113 120.327 120.500 -0.101 0.000 2.139 350 R HA -0.171 4.169 4.340 -0.000 0.000 0.243 350 R C 2.144 178.391 176.300 -0.088 0.000 1.145 350 R CA 1.616 57.628 56.100 -0.146 0.000 0.976 350 R CB -0.280 29.900 30.300 -0.199 0.000 0.866 350 R HN 0.514 nan 8.270 nan 0.000 0.449 351 L N -0.081 121.101 121.223 -0.067 0.000 2.044 351 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 351 L C 2.444 179.260 176.870 -0.090 0.000 1.075 351 L CA 0.646 55.451 54.840 -0.058 0.000 0.747 351 L CB -0.462 41.572 42.059 -0.042 0.000 0.903 351 L HN 0.253 nan 8.230 nan 0.000 0.435 352 I N -0.429 120.075 120.570 -0.110 0.000 2.315 352 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 352 I C 2.220 178.234 176.117 -0.173 0.000 1.117 352 I CA 1.315 62.525 61.300 -0.150 0.000 1.404 352 I CB -0.104 37.808 38.000 -0.146 0.000 1.071 352 I HN -0.116 nan 8.210 nan 0.000 0.419 353 V N 1.091 120.923 119.914 -0.137 0.000 2.343 353 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 353 V C 2.185 178.200 176.094 -0.132 0.000 1.051 353 V CA 2.370 64.585 62.300 -0.141 0.000 1.036 353 V CB -1.171 30.604 31.823 -0.080 0.000 0.654 353 V HN 0.493 nan 8.190 nan 0.000 0.451 354 N N -0.126 118.535 118.700 -0.066 0.000 2.069 354 N HA -0.193 4.547 4.740 -0.000 0.000 0.191 354 N C 1.834 177.270 175.510 -0.123 0.000 1.031 354 N CA 1.475 54.501 53.050 -0.040 0.000 0.852 354 N CB -0.150 38.334 38.487 -0.005 0.000 1.018 354 N HN 0.438 nan 8.380 nan 0.000 0.423 355 E N 0.632 120.733 120.200 -0.165 0.000 2.110 355 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 355 E C 2.060 178.472 176.600 -0.313 0.000 0.988 355 E CA 0.701 56.975 56.400 -0.210 0.000 0.804 355 E CB -0.179 29.389 29.700 -0.220 0.000 0.745 355 E HN 0.517 nan 8.360 nan 0.000 0.458 356 I N 0.842 121.158 120.570 -0.424 0.000 2.252 356 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 356 I C 2.438 178.094 176.117 -0.768 0.000 1.102 356 I CA 0.800 61.689 61.300 -0.685 0.000 1.385 356 I CB -0.274 37.256 38.000 -0.784 0.000 1.064 356 I HN 0.040 nan 8.210 nan 0.000 0.414 357 L N 0.657 121.582 121.223 -0.498 0.000 2.083 357 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 357 L C 2.629 179.433 176.870 -0.110 0.000 1.083 357 L CA 1.432 56.117 54.840 -0.258 0.000 0.752 357 L CB -0.670 41.334 42.059 -0.092 0.000 0.899 357 L HN 0.256 nan 8.230 nan 0.000 0.433 358 K N 0.542 120.863 120.400 -0.132 0.000 2.097 358 K HA -0.261 4.059 4.320 -0.000 0.000 0.206 358 K C 2.052 178.623 176.600 -0.048 0.000 1.049 358 K CA 1.729 57.974 56.287 -0.071 0.000 0.933 358 K CB 0.098 32.548 32.500 -0.084 0.000 0.717 358 K HN 0.114 nan 8.250 nan 0.000 0.442 359 E N -0.161 119.971 120.200 -0.114 0.000 2.107 359 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 359 E C 1.521 178.209 176.600 0.146 0.000 0.982 359 E CA 1.318 57.694 56.400 -0.041 0.000 0.809 359 E CB -0.186 29.429 29.700 -0.141 0.000 0.756 359 E HN 0.364 nan 8.360 nan 0.000 0.459 360 W N 1.204 122.514 121.300 0.017 0.000 2.381 360 W HA 0.003 4.663 4.660 -0.000 0.000 0.301 360 W C 1.935 178.466 176.519 0.021 0.000 1.205 360 W CA 0.998 58.375 57.345 0.053 0.000 1.285 360 W CB -0.695 28.809 29.460 0.072 0.000 1.133 360 W HN 0.175 nan 8.180 nan 0.000 0.521 361 K N -0.016 120.517 120.400 0.222 0.000 2.148 361 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 361 K C 2.089 178.738 176.600 0.082 0.000 1.050 361 K CA 1.226 57.581 56.287 0.114 0.000 0.942 361 K CB -0.321 32.219 32.500 0.066 0.000 0.724 361 K HN 0.016 nan 8.250 nan 0.000 0.446 362 R N 1.364 121.913 120.500 0.081 0.000 2.096 362 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 362 R C 2.064 178.407 176.300 0.072 0.000 1.127 362 R CA 1.228 57.363 56.100 0.059 0.000 0.968 362 R CB -0.146 30.183 30.300 0.048 0.000 0.861 362 R HN 0.143 nan 8.270 nan 0.000 0.440 363 I N 0.677 121.313 120.570 0.110 0.000 2.252 363 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 363 I C 2.209 178.369 176.117 0.070 0.000 1.102 363 I CA 1.295 62.656 61.300 0.103 0.000 1.385 363 I CB -0.240 37.849 38.000 0.149 0.000 1.064 363 I HN 0.157 nan 8.210 nan 0.000 0.414 364 K N 0.685 121.124 120.400 0.064 0.000 2.147 364 K HA -0.143 4.176 4.320 -0.000 0.000 0.205 364 K C 2.062 178.675 176.600 0.021 0.000 1.049 364 K CA 1.773 58.076 56.287 0.027 0.000 0.936 364 K CB -0.166 32.341 32.500 0.012 0.000 0.722 364 K HN 0.375 nan 8.250 nan 0.000 0.446 365 S N -0.847 114.870 115.700 0.028 0.000 2.593 365 S HA 0.089 4.559 4.470 -0.000 0.000 0.217 365 S C 1.362 175.974 174.600 0.019 0.000 0.966 365 S CA 0.497 58.708 58.200 0.019 0.000 0.914 365 S CB 0.310 63.520 63.200 0.017 0.000 0.776 365 S HN 0.442 nan 8.310 nan 0.000 0.523 366 G N 1.049 109.865 108.800 0.027 0.000 2.179 366 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 366 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 366 G C 0.235 175.150 174.900 0.025 0.000 0.977 366 G CA 0.311 45.426 45.100 0.025 0.000 0.641 366 G HN 0.512 nan 8.290 nan 0.000 0.533 367 K N 1.243 121.659 120.400 0.026 0.000 2.686 367 K HA 0.453 4.773 4.320 -0.000 0.000 0.244 367 K C 0.769 177.386 176.600 0.028 0.000 1.262 367 K CA 0.325 56.625 56.287 0.023 0.000 1.199 367 K CB -0.765 31.746 32.500 0.020 0.000 1.428 367 K HN 0.738 nan 8.250 nan 0.000 0.247 368 I N -2.455 118.132 120.570 0.029 0.000 2.647 368 I HA 0.483 4.653 4.170 -0.000 0.000 0.295 368 I C 0.051 176.182 176.117 0.024 0.000 1.078 368 I CA -1.144 60.175 61.300 0.031 0.000 1.048 368 I CB 2.235 40.260 38.000 0.041 0.000 1.239 368 I HN 0.039 nan 8.210 nan 0.000 0.421 369 S N 2.123 117.836 115.700 0.022 0.000 2.632 369 S HA 0.243 4.713 4.470 -0.000 0.000 0.267 369 S C 0.381 174.990 174.600 0.016 0.000 1.276 369 S CA -0.326 57.884 58.200 0.017 0.000 0.998 369 S CB 1.409 64.619 63.200 0.017 0.000 0.953 369 S HN 0.701 nan 8.310 nan 0.000 0.547 370 D N 1.262 121.669 120.400 0.012 0.000 2.144 370 D HA -0.000 4.640 4.640 -0.000 0.000 0.199 370 D C 2.200 178.505 176.300 0.009 0.000 0.984 370 D CA 1.701 55.707 54.000 0.009 0.000 0.834 370 D CB -0.872 39.932 40.800 0.007 0.000 0.955 370 D HN 0.683 nan 8.370 nan 0.000 0.465 371 A N 1.510 124.337 122.820 0.011 0.000 1.883 371 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 371 A C 2.059 179.652 177.584 0.015 0.000 1.186 371 A CA 2.012 54.057 52.037 0.013 0.000 0.624 371 A CB -0.711 18.298 19.000 0.014 0.000 0.822 371 A HN 0.458 nan 8.150 nan 0.000 0.444 372 E N -0.421 119.790 120.200 0.020 0.000 2.204 372 E HA -0.070 4.279 4.350 -0.000 0.000 0.194 372 E C 1.657 178.269 176.600 0.020 0.000 0.989 372 E CA 1.222 57.637 56.400 0.025 0.000 0.824 372 E CB -0.424 29.296 29.700 0.034 0.000 0.756 372 E HN 0.295 nan 8.360 nan 0.000 0.477 373 V N 1.962 121.884 119.914 0.014 0.000 2.323 373 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 373 V C 1.805 177.894 176.094 -0.007 0.000 1.041 373 V CA 2.231 64.534 62.300 0.004 0.000 1.025 373 V CB -0.718 31.106 31.823 0.002 0.000 0.656 373 V HN 0.332 nan 8.190 nan 0.000 0.451 374 N N -0.599 118.098 118.700 -0.006 0.000 2.309 374 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 374 N C 2.068 177.572 175.510 -0.010 0.000 1.018 374 N CA 0.662 53.704 53.050 -0.013 0.000 0.876 374 N CB -0.095 38.388 38.487 -0.006 0.000 0.972 374 N HN 0.300 nan 8.380 nan 0.000 0.434 375 R N 1.110 121.611 120.500 0.002 0.000 2.062 375 R HA -0.029 4.311 4.340 -0.000 0.000 0.231 375 R C 2.133 178.435 176.300 0.004 0.000 1.136 375 R CA 1.353 57.458 56.100 0.008 0.000 0.948 375 R CB -0.328 29.983 30.300 0.019 0.000 0.845 375 R HN 0.181 nan 8.270 nan 0.000 0.430 376 A N 1.652 124.475 122.820 0.005 0.000 1.908 376 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 376 A C 2.041 179.613 177.584 -0.021 0.000 1.181 376 A CA 1.672 53.709 52.037 0.001 0.000 0.627 376 A CB -0.347 18.657 19.000 0.006 0.000 0.818 376 A HN 0.338 nan 8.150 nan 0.000 0.445 377 K N -0.436 119.941 120.400 -0.038 0.000 2.097 377 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 377 K C 2.323 178.876 176.600 -0.078 0.000 1.050 377 K CA 1.060 57.303 56.287 -0.073 0.000 0.938 377 K CB -0.327 32.115 32.500 -0.097 0.000 0.718 377 K HN 0.448 nan 8.250 nan 0.000 0.442 378 A N 1.666 124.457 122.820 -0.049 0.000 1.898 378 A HA -0.225 4.094 4.320 -0.000 0.000 0.216 378 A C 2.202 179.778 177.584 -0.013 0.000 1.181 378 A CA 1.348 53.367 52.037 -0.031 0.000 0.620 378 A CB -0.501 18.495 19.000 -0.006 0.000 0.819 378 A HN 0.333 nan 8.150 nan 0.000 0.442 379 Q N -0.878 118.919 119.800 -0.005 0.000 2.030 379 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 379 Q C 2.055 178.060 176.000 0.007 0.000 0.986 379 Q CA 1.858 57.665 55.803 0.008 0.000 0.843 379 Q CB -0.270 28.476 28.738 0.014 0.000 0.904 379 Q HN 0.522 nan 8.270 nan 0.000 0.420 380 L N 1.318 122.538 121.223 -0.005 0.000 2.012 380 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 380 L C 2.057 178.931 176.870 0.006 0.000 1.073 380 L CA 1.946 56.788 54.840 0.004 0.000 0.748 380 L CB -0.415 41.639 42.059 -0.008 0.000 0.891 380 L HN 0.104 nan 8.230 nan 0.000 0.431 381 K N -0.697 119.679 120.400 -0.040 0.000 2.063 381 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 381 K C 2.070 178.689 176.600 0.031 0.000 1.048 381 K CA 1.461 57.722 56.287 -0.044 0.000 0.928 381 K CB -0.426 32.003 32.500 -0.119 0.000 0.713 381 K HN 0.508 nan 8.250 nan 0.000 0.442 382 A N 1.439 124.278 122.820 0.032 0.000 1.873 382 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 382 A C 2.382 179.994 177.584 0.046 0.000 1.186 382 A CA 1.806 53.870 52.037 0.045 0.000 0.616 382 A CB -0.732 18.289 19.000 0.035 0.000 0.823 382 A HN 0.336 nan 8.150 nan 0.000 0.442 383 A N -0.466 122.379 122.820 0.043 0.000 1.933 383 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 383 A C 2.113 179.737 177.584 0.068 0.000 1.175 383 A CA 1.572 53.638 52.037 0.049 0.000 0.628 383 A CB -0.504 18.523 19.000 0.046 0.000 0.814 383 A HN 0.479 nan 8.150 nan 0.000 0.444 384 L N -1.603 119.671 121.223 0.085 0.000 2.307 384 L HA 0.082 4.422 4.340 -0.000 0.000 0.211 384 L C 2.127 179.055 176.870 0.097 0.000 1.099 384 L CA 0.486 55.395 54.840 0.116 0.000 0.816 384 L CB -0.164 41.995 42.059 0.167 0.000 0.952 384 L HN 0.313 nan 8.230 nan 0.000 0.455 385 L N -1.488 119.787 121.223 0.086 0.000 2.547 385 L HA 0.081 4.421 4.340 -0.000 0.000 0.218 385 L C 2.068 178.975 176.870 0.061 0.000 1.048 385 L CA 0.119 55.009 54.840 0.083 0.000 0.859 385 L CB -0.046 42.084 42.059 0.118 0.000 1.128 385 L HN 0.093 nan 8.230 nan 0.000 0.483 386 L N 0.174 121.431 121.223 0.057 0.000 2.376 386 L HA -0.059 4.281 4.340 -0.000 0.000 0.219 386 L C 2.471 179.358 176.870 0.030 0.000 1.133 386 L CA 1.041 55.905 54.840 0.040 0.000 0.816 386 L CB -0.424 41.658 42.059 0.039 0.000 0.933 386 L HN 0.349 nan 8.230 nan 0.000 0.449 387 S N -0.607 115.113 115.700 0.034 0.000 2.527 387 S HA 0.046 4.516 4.470 -0.000 0.000 0.222 387 S C 1.094 175.706 174.600 0.020 0.000 0.985 387 S CA -0.006 58.209 58.200 0.025 0.000 0.921 387 S CB -0.313 62.905 63.200 0.029 0.000 0.772 387 S HN 0.320 nan 8.310 nan 0.000 0.529 388 L N 2.488 123.726 121.223 0.024 0.000 2.437 388 L HA 0.270 4.610 4.340 -0.000 0.000 0.243 388 L C 1.058 177.933 176.870 0.007 0.000 1.346 388 L CA -0.285 54.565 54.840 0.016 0.000 1.233 388 L CB -0.121 41.950 42.059 0.021 0.000 1.436 388 L HN 0.186 nan 8.230 nan 0.000 0.416 389 D N 0.984 121.386 120.400 0.003 0.000 2.394 389 D HA 0.054 4.694 4.640 -0.000 0.000 0.237 389 D C 1.135 177.431 176.300 -0.006 0.000 1.028 389 D CA 0.722 54.721 54.000 -0.002 0.000 0.937 389 D CB 0.373 41.173 40.800 -0.001 0.000 1.072 389 D HN 0.339 nan 8.370 nan 0.000 0.457 390 G N -0.403 108.394 108.800 -0.004 0.000 2.588 390 G HA2 0.277 4.237 3.960 -0.000 0.000 0.281 390 G HA3 0.277 4.237 3.960 -0.000 0.000 0.281 390 G C 1.111 176.011 174.900 0.000 0.000 1.236 390 G CA 0.559 45.657 45.100 -0.003 0.000 0.969 390 G HN 0.247 nan 8.290 nan 0.000 0.504 391 S N -1.226 114.479 115.700 0.007 0.000 2.399 391 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 391 S C 2.115 176.734 174.600 0.030 0.000 1.022 391 S CA 2.019 60.230 58.200 0.018 0.000 0.983 391 S CB -0.641 62.577 63.200 0.030 0.000 0.803 391 S HN 0.482 nan 8.310 nan 0.000 0.480 392 T N 2.776 117.350 114.554 0.033 0.000 2.708 392 T HA 0.062 4.412 4.350 -0.000 0.000 0.266 392 T C 2.240 176.930 174.700 -0.017 0.000 1.037 392 T CA 1.511 63.622 62.100 0.020 0.000 1.146 392 T CB -0.868 68.022 68.868 0.036 0.000 0.865 392 T HN 0.642 nan 8.240 nan 0.000 0.435 393 A N 0.893 123.706 122.820 -0.011 0.000 1.933 393 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 393 A C 2.286 179.866 177.584 -0.008 0.000 1.175 393 A CA 1.120 53.148 52.037 -0.015 0.000 0.628 393 A CB -0.741 18.255 19.000 -0.008 0.000 0.814 393 A HN 0.532 nan 8.150 nan 0.000 0.444 394 I N -0.743 119.825 120.570 -0.004 0.000 2.252 394 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 394 I C 2.340 178.448 176.117 -0.015 0.000 1.102 394 I CA 0.938 62.232 61.300 -0.009 0.000 1.385 394 I CB -0.321 37.675 38.000 -0.007 0.000 1.064 394 I HN 0.143 nan 8.210 nan 0.000 0.414 395 V N 1.035 120.956 119.914 0.012 0.000 2.343 395 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 395 V C 2.583 178.699 176.094 0.038 0.000 1.051 395 V CA 2.243 64.566 62.300 0.037 0.000 1.036 395 V CB -0.623 31.272 31.823 0.120 0.000 0.654 395 V HN 0.473 nan 8.190 nan 0.000 0.451 396 E N 0.997 121.240 120.200 0.072 0.000 2.097 396 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 396 E C 1.784 178.373 176.600 -0.019 0.000 1.000 396 E CA 2.275 58.742 56.400 0.111 0.000 0.804 396 E CB -0.545 29.171 29.700 0.027 0.000 0.740 396 E HN 0.673 nan 8.360 nan 0.000 0.454 397 D N -0.789 119.576 120.400 -0.059 0.000 2.123 397 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 397 D C 2.021 178.213 176.300 -0.180 0.000 0.976 397 D CA 1.417 55.358 54.000 -0.098 0.000 0.831 397 D CB -0.138 40.635 40.800 -0.046 0.000 0.974 397 D HN 0.351 nan 8.370 nan 0.000 0.469 398 I N 0.283 120.739 120.570 -0.189 0.000 2.113 398 I HA -0.129 4.041 4.170 -0.000 0.000 0.238 398 I C 2.559 178.413 176.117 -0.438 0.000 1.070 398 I CA 1.380 62.536 61.300 -0.241 0.000 1.332 398 I CB -0.773 37.117 38.000 -0.185 0.000 1.044 398 I HN 0.139 nan 8.210 nan 0.000 0.402 399 G N 0.529 108.864 108.800 -0.775 0.000 2.459 399 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 399 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 399 G C 1.816 176.133 174.900 -0.972 0.000 1.183 399 G CA 0.642 44.788 45.100 -1.590 0.000 0.776 399 G HN 0.217 nan 8.290 nan 0.000 0.552 400 R N 0.181 120.331 120.500 -0.583 0.000 2.096 400 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 400 R C 2.655 178.697 176.300 -0.430 0.000 1.127 400 R CA 1.684 57.588 56.100 -0.327 0.000 0.968 400 R CB -0.389 29.763 30.300 -0.247 0.000 0.861 400 R HN 0.480 nan 8.270 nan 0.000 0.440 401 Q N -0.398 119.164 119.800 -0.396 0.000 2.079 401 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 401 Q C 2.148 177.987 176.000 -0.268 0.000 0.974 401 Q CA 1.453 57.047 55.803 -0.348 0.000 0.840 401 Q CB 0.174 28.769 28.738 -0.239 0.000 0.898 401 Q HN 0.185 nan 8.270 nan 0.000 0.430 402 V N -0.058 119.701 119.914 -0.259 0.000 2.379 402 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 402 V C 2.081 178.077 176.094 -0.164 0.000 1.044 402 V CA 1.256 63.441 62.300 -0.192 0.000 1.036 402 V CB -0.178 31.528 31.823 -0.194 0.000 0.664 402 V HN 0.205 nan 8.190 nan 0.000 0.453 403 V N 0.862 120.661 119.914 -0.191 0.000 2.970 403 V HA -0.145 3.975 4.120 -0.000 0.000 0.260 403 V C 2.347 178.397 176.094 -0.074 0.000 1.100 403 V CA 2.379 64.619 62.300 -0.100 0.000 1.122 403 V CB -0.130 31.671 31.823 -0.037 0.000 0.721 403 V HN 0.853 nan 8.190 nan 0.000 0.483 404 T N -6.418 108.050 114.554 -0.142 0.000 3.001 404 T HA 0.073 4.423 4.350 -0.000 0.000 0.251 404 T C 1.419 176.086 174.700 -0.055 0.000 1.040 404 T CA 0.907 62.947 62.100 -0.099 0.000 0.985 404 T CB 0.630 69.322 68.868 -0.295 0.000 1.011 404 T HN 0.316 nan 8.240 nan 0.000 0.509 405 T N -0.322 114.174 114.554 -0.097 0.000 2.980 405 T HA 0.487 4.837 4.350 -0.000 0.000 0.252 405 T C 1.472 176.149 174.700 -0.039 0.000 0.962 405 T CA 0.629 62.698 62.100 -0.052 0.000 0.932 405 T CB 0.192 69.008 68.868 -0.087 0.000 1.188 405 T HN 0.643 nan 8.240 nan 0.000 0.500 406 G N 2.561 111.325 108.800 -0.060 0.000 2.175 406 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 406 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 406 G C 0.022 174.893 174.900 -0.049 0.000 0.982 406 G CA 0.619 45.692 45.100 -0.045 0.000 0.641 406 G HN 0.738 nan 8.290 nan 0.000 0.527 407 K N -1.788 118.574 120.400 -0.062 0.000 2.578 407 K HA 0.791 5.111 4.320 -0.000 0.000 0.287 407 K C -1.183 175.372 176.600 -0.074 0.000 1.010 407 K CA -1.353 54.900 56.287 -0.056 0.000 0.889 407 K CB 1.371 33.854 32.500 -0.029 0.000 1.514 407 K HN 0.053 nan 8.250 nan 0.000 0.424 408 R N 1.899 122.362 120.500 -0.061 0.000 2.388 408 R HA 0.364 4.703 4.340 -0.000 0.000 0.314 408 R C -1.011 175.276 176.300 -0.022 0.000 0.959 408 R CA -0.635 55.429 56.100 -0.060 0.000 0.851 408 R CB 0.835 31.090 30.300 -0.075 0.000 1.168 408 R HN 0.705 nan 8.270 nan 0.000 0.472 409 L N 3.233 124.461 121.223 0.007 0.000 2.410 409 L HA 0.122 4.462 4.340 -0.000 0.000 0.273 409 L C 1.170 178.058 176.870 0.030 0.000 1.152 409 L CA 0.045 54.910 54.840 0.040 0.000 0.855 409 L CB 0.955 43.076 42.059 0.104 0.000 1.129 409 L HN 0.654 nan 8.230 nan 0.000 0.463 410 S N 3.008 118.720 115.700 0.020 0.000 2.600 410 S HA 0.238 4.708 4.470 -0.000 0.000 0.265 410 S C -1.820 172.798 174.600 0.030 0.000 1.325 410 S CA -1.104 57.104 58.200 0.014 0.000 1.002 410 S CB 1.082 64.284 63.200 0.004 0.000 0.921 410 S HN 0.398 nan 8.310 nan 0.000 0.554 411 P HA -0.115 nan 4.420 nan 0.000 0.215 411 P C 1.106 178.445 177.300 0.065 0.000 1.157 411 P CA 1.421 64.550 63.100 0.048 0.000 0.874 411 P CB -0.028 31.689 31.700 0.029 0.000 0.790 412 E N -0.344 119.873 120.200 0.028 0.000 2.110 412 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 412 E C 1.909 178.548 176.600 0.065 0.000 0.988 412 E CA 1.222 57.637 56.400 0.024 0.000 0.804 412 E CB -0.798 28.888 29.700 -0.023 0.000 0.745 412 E HN 0.446 nan 8.360 nan 0.000 0.458 413 E N -0.032 120.189 120.200 0.036 0.000 2.106 413 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 413 E C 2.050 178.636 176.600 -0.022 0.000 0.984 413 E CA 1.016 57.428 56.400 0.020 0.000 0.806 413 E CB 0.036 29.748 29.700 0.021 0.000 0.750 413 E HN 0.066 nan 8.360 nan 0.000 0.458 414 V N 1.115 121.019 119.914 -0.017 0.000 2.427 414 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 414 V C 1.973 177.955 176.094 -0.187 0.000 1.051 414 V CA 1.583 63.793 62.300 -0.151 0.000 1.048 414 V CB -0.483 31.342 31.823 0.004 0.000 0.666 414 V HN 0.232 nan 8.190 nan 0.000 0.456 415 F N 1.599 121.461 119.950 -0.146 0.000 2.095 415 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 415 F C 2.453 178.165 175.800 -0.148 0.000 1.104 415 F CA 2.348 60.274 58.000 -0.123 0.000 1.232 415 F CB -0.205 38.753 39.000 -0.070 0.000 0.987 415 F HN 0.182 nan 8.300 nan 0.000 0.475 416 E N 0.194 120.470 120.200 0.126 0.000 2.085 416 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 416 E C 2.114 178.628 176.600 -0.143 0.000 0.994 416 E CA 1.576 57.996 56.400 0.033 0.000 0.801 416 E CB -0.431 29.300 29.700 0.051 0.000 0.743 416 E HN 0.395 nan 8.360 nan 0.000 0.453 417 Q N -0.294 119.347 119.800 -0.264 0.000 2.124 417 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 417 Q C 2.298 178.056 176.000 -0.403 0.000 0.977 417 Q CA 1.343 56.920 55.803 -0.377 0.000 0.850 417 Q CB -0.276 27.999 28.738 -0.772 0.000 0.901 417 Q HN 0.297 nan 8.270 nan 0.000 0.429 418 V N 0.546 120.171 119.914 -0.481 0.000 2.379 418 V HA -0.169 3.951 4.120 -0.000 0.000 0.243 418 V C 1.907 177.821 176.094 -0.301 0.000 1.035 418 V CA 1.646 63.730 62.300 -0.361 0.000 1.035 418 V CB -0.543 31.058 31.823 -0.370 0.000 0.673 418 V HN 0.250 nan 8.190 nan 0.000 0.457 419 D N 0.930 121.090 120.400 -0.400 0.000 2.190 419 D HA -0.242 4.398 4.640 -0.000 0.000 0.200 419 D C 2.103 178.315 176.300 -0.147 0.000 0.992 419 D CA 1.470 55.285 54.000 -0.309 0.000 0.854 419 D CB -0.063 40.557 40.800 -0.300 0.000 0.936 419 D HN 0.623 nan 8.370 nan 0.000 0.462 420 K N -0.090 120.240 120.400 -0.117 0.000 2.459 420 K HA 0.025 4.344 4.320 -0.000 0.000 0.193 420 K C 0.630 177.199 176.600 -0.052 0.000 1.030 420 K CA -0.028 56.222 56.287 -0.062 0.000 1.026 420 K CB -0.001 32.474 32.500 -0.041 0.000 0.809 420 K HN 0.166 nan 8.250 nan 0.000 0.504 421 I N 3.548 124.076 120.570 -0.069 0.000 2.752 421 I HA -0.081 4.089 4.170 -0.000 0.000 0.287 421 I C 0.665 176.760 176.117 -0.038 0.000 1.188 421 I CA 0.262 61.533 61.300 -0.048 0.000 1.427 421 I CB 0.725 38.689 38.000 -0.060 0.000 1.365 421 I HN 0.305 nan 8.210 nan 0.000 0.585 422 T N 2.075 116.616 114.554 -0.021 0.000 2.930 422 T HA 0.278 4.628 4.350 -0.000 0.000 0.290 422 T C 0.725 175.421 174.700 -0.006 0.000 1.052 422 T CA -0.974 61.118 62.100 -0.013 0.000 1.017 422 T CB 2.044 70.909 68.868 -0.005 0.000 1.137 422 T HN 0.642 nan 8.240 nan 0.000 0.511 423 K N 0.243 120.643 120.400 -0.001 0.000 2.074 423 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 423 K C 1.439 178.047 176.600 0.014 0.000 1.048 423 K CA 2.200 58.491 56.287 0.007 0.000 0.926 423 K CB -0.465 32.040 32.500 0.009 0.000 0.713 423 K HN 0.728 nan 8.250 nan 0.000 0.444 424 D N 0.713 121.120 120.400 0.012 0.000 2.097 424 D HA -0.152 4.487 4.640 -0.000 0.000 0.195 424 D C 1.538 177.854 176.300 0.026 0.000 0.989 424 D CA 1.373 55.383 54.000 0.017 0.000 0.827 424 D CB 0.001 40.808 40.800 0.010 0.000 0.966 424 D HN 0.214 nan 8.370 nan 0.000 0.456 425 D N -0.114 120.299 120.400 0.022 0.000 2.133 425 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 425 D C 2.244 178.585 176.300 0.069 0.000 0.997 425 D CA 0.736 54.758 54.000 0.037 0.000 0.840 425 D CB -0.185 40.625 40.800 0.016 0.000 0.947 425 D HN 0.362 nan 8.370 nan 0.000 0.452 426 I N 0.773 121.367 120.570 0.041 0.000 2.202 426 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 426 I C 2.512 178.695 176.117 0.110 0.000 1.091 426 I CA 0.694 62.027 61.300 0.056 0.000 1.368 426 I CB -0.156 37.853 38.000 0.015 0.000 1.058 426 I HN -0.061 nan 8.210 nan 0.000 0.410 427 I N -0.200 120.412 120.570 0.070 0.000 2.208 427 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 427 I C 2.624 178.776 176.117 0.058 0.000 1.097 427 I CA 1.166 62.500 61.300 0.058 0.000 1.363 427 I CB -0.333 37.688 38.000 0.035 0.000 1.051 427 I HN 0.259 nan 8.210 nan 0.000 0.413 428 M N -0.367 119.271 119.600 0.063 0.000 2.065 428 M HA -0.270 4.210 4.480 -0.000 0.000 0.259 428 M C 2.200 178.540 176.300 0.067 0.000 1.069 428 M CA 1.950 57.279 55.300 0.048 0.000 1.110 428 M CB -1.412 31.214 32.600 0.043 0.000 1.328 428 M HN 0.415 nan 8.290 nan 0.000 0.405 429 W N 0.659 121.914 121.300 -0.076 0.000 2.338 429 W HA -0.194 4.466 4.660 -0.000 0.000 0.304 429 W C 2.400 178.820 176.519 -0.165 0.000 1.212 429 W CA 2.739 60.023 57.345 -0.102 0.000 1.264 429 W CB -0.304 29.069 29.460 -0.144 0.000 1.142 429 W HN 0.289 nan 8.180 nan 0.000 0.512 430 A N 0.302 123.182 122.820 0.099 0.000 1.902 430 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 430 A C 1.893 179.314 177.584 -0.271 0.000 1.181 430 A CA 1.825 53.775 52.037 -0.145 0.000 0.623 430 A CB -1.062 17.939 19.000 0.002 0.000 0.818 430 A HN 0.439 nan 8.150 nan 0.000 0.443 431 N N -1.816 116.801 118.700 -0.139 0.000 2.309 431 N HA -0.147 4.593 4.740 -0.000 0.000 0.182 431 N C 1.516 176.928 175.510 -0.163 0.000 1.018 431 N CA 1.544 54.519 53.050 -0.124 0.000 0.876 431 N CB -0.265 38.191 38.487 -0.052 0.000 0.972 431 N HN 0.713 nan 8.380 nan 0.000 0.434 432 Y N 1.704 121.787 120.300 -0.361 0.000 2.201 432 Y HA 0.091 4.641 4.550 -0.000 0.000 0.292 432 Y C 2.089 177.674 175.900 -0.526 0.000 1.119 432 Y CA 1.178 59.040 58.100 -0.397 0.000 1.127 432 Y CB 0.023 38.239 38.460 -0.406 0.000 1.019 432 Y HN -0.170 nan 8.280 nan 0.000 0.514 433 R N 0.235 120.165 120.500 -0.950 0.000 2.200 433 R HA 0.150 4.490 4.340 -0.000 0.000 0.208 433 R C 1.160 176.941 176.300 -0.865 0.000 1.033 433 R CA 0.793 56.206 56.100 -1.144 0.000 1.000 433 R CB -0.200 29.093 30.300 -1.679 0.000 0.906 433 R HN 0.405 nan 8.270 nan 0.000 0.462 434 L N 0.406 121.216 121.223 -0.688 0.000 2.910 434 L HA 0.279 4.619 4.340 -0.000 0.000 0.252 434 L C -0.035 176.665 176.870 -0.284 0.000 1.195 434 L CA -0.214 54.342 54.840 -0.474 0.000 1.003 434 L CB 0.326 42.109 42.059 -0.460 0.000 1.328 434 L HN -0.112 nan 8.230 nan 0.000 0.540 435 Q N 1.060 120.679 119.800 -0.303 0.000 2.304 435 Q HA 0.330 4.670 4.340 -0.000 0.000 0.270 435 Q C -0.239 175.634 176.000 -0.212 0.000 1.035 435 Q CA -0.313 55.371 55.803 -0.198 0.000 0.781 435 Q CB 1.025 29.669 28.738 -0.158 0.000 1.261 435 Q HN 0.130 nan 8.270 nan 0.000 0.444 436 N N 2.676 121.285 118.700 -0.152 0.000 2.727 436 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 436 N C -1.202 174.196 175.510 -0.187 0.000 1.048 436 N CA 0.954 53.922 53.050 -0.137 0.000 0.714 436 N CB -0.390 38.028 38.487 -0.116 0.000 0.959 436 N HN 0.520 nan 8.380 nan 0.000 0.544 437 K N 0.256 120.524 120.400 -0.219 0.000 2.318 437 K HA 0.519 4.839 4.320 -0.000 0.000 0.249 437 K C -2.185 174.295 176.600 -0.200 0.000 0.942 437 K CA -1.518 54.601 56.287 -0.280 0.000 0.808 437 K CB 2.055 34.292 32.500 -0.438 0.000 1.189 437 K HN -0.073 nan 8.250 nan 0.000 0.428 438 P HA 0.123 nan 4.420 nan 0.000 0.272 438 P C -0.388 176.914 177.300 0.002 0.000 1.223 438 P CA -0.406 62.678 63.100 -0.026 0.000 0.784 438 P CB 0.889 32.645 31.700 0.093 0.000 0.923 439 V N -0.364 119.652 119.914 0.170 0.000 2.914 439 V HA 0.825 4.945 4.120 -0.000 0.000 0.314 439 V C -0.573 175.695 176.094 0.291 0.000 1.084 439 V CA -0.758 61.694 62.300 0.252 0.000 0.963 439 V CB 1.917 33.843 31.823 0.173 0.000 1.025 439 V HN 0.775 nan 8.190 nan 0.000 0.432 440 S N 5.649 121.526 115.700 0.295 0.000 2.568 440 S HA 0.882 5.352 4.470 -0.000 0.000 0.293 440 S C -0.722 173.916 174.600 0.065 0.000 1.089 440 S CA -0.744 57.501 58.200 0.075 0.000 0.945 440 S CB 2.026 65.138 63.200 -0.146 0.000 1.077 440 S HN 1.442 nan 8.310 nan 0.000 0.485 441 M N 2.297 121.877 119.600 -0.034 0.000 2.470 441 M HA 0.604 5.083 4.480 -0.000 0.000 0.285 441 M C -2.385 173.803 176.300 -0.187 0.000 1.213 441 M CA -0.613 54.648 55.300 -0.066 0.000 0.901 441 M CB 2.146 34.712 32.600 -0.058 0.000 1.718 441 M HN 0.692 nan 8.290 nan 0.000 0.469 442 V N 2.502 122.319 119.914 -0.161 0.000 2.709 442 V HA 0.906 5.026 4.120 -0.000 0.000 0.308 442 V C -0.759 175.237 176.094 -0.164 0.000 1.062 442 V CA -0.692 61.486 62.300 -0.203 0.000 0.901 442 V CB 1.747 33.492 31.823 -0.130 0.000 1.003 442 V HN 0.949 nan 8.190 nan 0.000 0.425 443 A N 4.455 127.166 122.820 -0.182 0.000 2.359 443 A HA 0.902 5.221 4.320 -0.000 0.000 0.303 443 A C -1.513 176.062 177.584 -0.015 0.000 1.066 443 A CA -0.486 51.525 52.037 -0.045 0.000 0.730 443 A CB 1.521 20.556 19.000 0.059 0.000 1.211 443 A HN 0.941 nan 8.150 nan 0.000 0.439 444 L N 2.917 124.146 121.223 0.010 0.000 2.356 444 L HA 0.856 5.196 4.340 -0.000 0.000 0.277 444 L C 0.432 177.301 176.870 -0.002 0.000 0.996 444 L CA 1.437 56.266 54.840 -0.019 0.000 0.822 444 L CB 1.365 43.395 42.059 -0.049 0.000 1.256 444 L HN 1.921 nan 8.230 nan 0.000 0.413 445 G N 3.862 112.645 108.800 -0.029 0.000 2.317 445 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.196 445 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.196 445 G C -0.893 173.997 174.900 -0.017 0.000 1.255 445 G CA -0.241 44.837 45.100 -0.036 0.000 1.243 445 G HN 0.861 nan 8.290 nan 0.000 0.535 446 N N 1.469 120.158 118.700 -0.018 0.000 2.466 446 N HA 0.320 5.060 4.740 -0.000 0.000 0.263 446 N C 1.415 176.919 175.510 -0.009 0.000 1.178 446 N CA 1.116 54.154 53.050 -0.019 0.000 0.983 446 N CB 0.800 39.273 38.487 -0.024 0.000 1.331 446 N HN 0.797 nan 8.380 nan 0.000 0.500 447 T N 0.378 114.930 114.554 -0.003 0.000 3.118 447 T HA -0.069 4.281 4.350 -0.000 0.000 0.260 447 T C 1.635 176.283 174.700 -0.088 0.000 1.139 447 T CA 1.236 63.343 62.100 0.011 0.000 1.085 447 T CB -0.166 68.737 68.868 0.058 0.000 0.934 447 T HN 0.472 nan 8.240 nan 0.000 0.518 448 S N -0.117 115.530 115.700 -0.088 0.000 2.447 448 S HA -0.087 4.383 4.470 -0.000 0.000 0.233 448 S C 2.086 176.619 174.600 -0.112 0.000 1.006 448 S CA 1.534 59.664 58.200 -0.116 0.000 0.957 448 S CB -0.954 62.196 63.200 -0.083 0.000 0.773 448 S HN 0.541 nan 8.310 nan 0.000 0.507 449 T N 0.916 115.422 114.554 -0.080 0.000 3.060 449 T HA 0.280 4.630 4.350 -0.000 0.000 0.249 449 T C 0.220 174.869 174.700 -0.084 0.000 1.079 449 T CA -0.173 61.882 62.100 -0.076 0.000 1.013 449 T CB -0.346 68.496 68.868 -0.044 0.000 0.975 449 T HN 0.194 nan 8.240 nan 0.000 0.518 450 V N 5.622 125.501 119.914 -0.058 0.000 2.455 450 V HA 0.347 4.467 4.120 -0.000 0.000 0.273 450 V C -1.811 174.270 176.094 -0.022 0.000 1.045 450 V CA -1.768 60.539 62.300 0.012 0.000 0.976 450 V CB 0.767 32.714 31.823 0.207 0.000 0.993 450 V HN 0.406 nan 8.190 nan 0.000 0.475 451 P HA 0.109 nan 4.420 nan 0.000 0.274 451 P C -0.182 177.175 177.300 0.097 0.000 1.237 451 P CA -0.509 62.458 63.100 -0.221 0.000 0.793 451 P CB 0.738 32.006 31.700 -0.720 0.000 0.977 452 N N 0.600 119.380 118.700 0.133 0.000 2.340 452 N HA -0.031 4.709 4.740 -0.000 0.000 0.236 452 N C 1.196 176.862 175.510 0.260 0.000 1.296 452 N CA -0.030 53.194 53.050 0.289 0.000 0.896 452 N CB 0.740 39.355 38.487 0.214 0.000 1.127 452 N HN 0.013 nan 8.380 nan 0.000 0.442 453 V N 1.476 121.515 119.914 0.209 0.000 2.453 453 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 453 V C 2.331 178.518 176.094 0.155 0.000 1.048 453 V CA 2.097 64.488 62.300 0.152 0.000 1.049 453 V CB -0.633 31.247 31.823 0.095 0.000 0.672 453 V HN 0.863 nan 8.190 nan 0.000 0.457 454 S N -0.747 115.042 115.700 0.149 0.000 2.428 454 S HA -0.225 4.244 4.470 -0.000 0.000 0.230 454 S C 1.959 176.630 174.600 0.119 0.000 1.014 454 S CA 1.312 59.577 58.200 0.109 0.000 0.957 454 S CB -0.670 62.583 63.200 0.087 0.000 0.784 454 S HN 0.644 nan 8.310 nan 0.000 0.499 455 Y N 2.448 122.780 120.300 0.052 0.000 2.114 455 Y HA 0.004 4.554 4.550 -0.000 0.000 0.284 455 Y C 1.936 177.859 175.900 0.038 0.000 1.143 455 Y CA 1.301 59.425 58.100 0.040 0.000 1.135 455 Y CB -0.547 37.939 38.460 0.044 0.000 0.980 455 Y HN 0.219 nan 8.280 nan 0.000 0.499 456 I N 0.423 121.208 120.570 0.358 0.000 2.163 456 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 456 I C 2.276 178.455 176.117 0.104 0.000 1.085 456 I CA 2.022 63.469 61.300 0.245 0.000 1.347 456 I CB -0.471 37.662 38.000 0.222 0.000 1.044 456 I HN 0.348 nan 8.210 nan 0.000 0.408 457 E N 0.293 120.541 120.200 0.081 0.000 2.106 457 E HA -0.270 4.079 4.350 -0.000 0.000 0.192 457 E C 2.041 178.632 176.600 -0.016 0.000 0.984 457 E CA 1.129 57.550 56.400 0.036 0.000 0.806 457 E CB -0.124 29.595 29.700 0.031 0.000 0.750 457 E HN 0.509 nan 8.360 nan 0.000 0.458 458 E N 1.187 121.352 120.200 -0.057 0.000 2.031 458 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 458 E C 1.862 178.385 176.600 -0.128 0.000 0.994 458 E CA 1.084 57.420 56.400 -0.106 0.000 0.800 458 E CB 0.236 29.838 29.700 -0.163 0.000 0.752 458 E HN -0.049 nan 8.360 nan 0.000 0.447 459 K N 0.436 120.722 120.400 -0.190 0.000 2.097 459 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 459 K C 2.200 178.770 176.600 -0.051 0.000 1.049 459 K CA 0.584 56.780 56.287 -0.152 0.000 0.933 459 K CB -0.528 31.859 32.500 -0.189 0.000 0.717 459 K HN 0.213 nan 8.250 nan 0.000 0.442 460 L N 2.103 123.324 121.223 -0.003 0.000 2.027 460 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 460 L C 1.433 178.313 176.870 0.015 0.000 1.074 460 L CA 1.775 56.647 54.840 0.052 0.000 0.745 460 L CB -0.587 41.541 42.059 0.116 0.000 0.898 460 L HN 0.116 nan 8.230 nan 0.000 0.433 461 N N -0.585 118.106 118.700 -0.015 0.000 2.409 461 N HA -0.081 4.659 4.740 -0.000 0.000 0.179 461 N C 0.838 176.327 175.510 -0.036 0.000 1.032 461 N CA 0.180 53.210 53.050 -0.034 0.000 0.898 461 N CB -0.120 38.340 38.487 -0.045 0.000 0.971 461 N HN 0.557 nan 8.380 nan 0.000 0.441 462 Q N 0.000 119.776 119.800 -0.040 0.000 2.315 462 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 462 Q CA 0.000 55.776 55.803 -0.044 0.000 1.022 462 Q CB 0.000 28.701 28.738 -0.062 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481