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 3ala_1_D DATA FIRST_RESID 36 DATA SEQUENCE SQLPHcPSXX XXXXXXXXXX XSQLFADLSR EELTAVMRFL TQRLGPGLVD DATA SEQUENCE AAQARPSDNC VFSVELQLPP KAAALAHLDR GSPPPAREAL AIVFFGRQPQ DATA SEQUENCE PNVSELVVGP LPHPSYMRDV TVERHGGPLP YHRRPVLFQE YLDIDQMIFN DATA SEQUENCE RELPQASGLL HHCCFYKXXX RNLVTMTTAP RGLQSGDRAT WFGLYYNISG DATA SEQUENCE AGFFLHHVGL ELLVNHKALD PARWTIQKVF YQGRYYDSLA QLEAQFEAGL DATA SEQUENCE VNVVLIPDNG TGGSWSLKSP VPPGPAPPLQ FYPQGPRFSV QGSRVASSLW DATA SEQUENCE TFSFGLGAFS GPRIFDVRFQ GERLVYEISL QEALAIYGGN SPAAMTTRYV DATA SEQUENCE DGGFGMGKYT TPLTRGVDcP YLATYVDWHF LLESQAPKTI RDAFcVFEQN DATA SEQUENCE QGLPLRRHHS DLYSHYFGGL AETVLVVRSM STLLNXDYVW DTVFHPSGAI DATA SEQUENCE EIRFYATGYI SSAFLFGATG KYGNQVSEHT LGTVHTHSAH FKVDLDVAGL DATA SEQUENCE ENWVWAEDMV FVPMAVPWSP EHQLQRLQVT RKLLEMEEQA AFLVGSATPR DATA SEQUENCE YLYLASNHSN KWGHPRGYRI QMLSFAGEPL PQNSSMARGF SWERYQLAVT DATA SEQUENCE QRKEEEPSSS SVFNQNDPWA PTVDFSDFIN NETIAGKDLV AWVTAGFLHI DATA SEQUENCE PHAEDIPNTV TVGNGVGFFL RPYNFFDEDP SFYSADSIYF RGDQDAGAcE DATA SEQUENCE VNPLAcLPQA AAcAPDLPAF SHGGFSH 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 36 S HA 0.000 nan 4.470 nan 0.000 0.327 36 S C 0.000 174.609 174.600 0.015 0.000 1.055 36 S CA 0.000 58.207 58.200 0.012 0.000 1.107 36 S CB 0.000 63.208 63.200 0.013 0.000 0.593 37 Q N -0.128 119.683 119.800 0.019 0.000 2.227 37 Q HA 0.818 5.158 4.340 -0.000 0.000 0.245 37 Q C 0.151 176.169 176.000 0.031 0.000 0.926 37 Q CA -0.133 55.684 55.803 0.023 0.000 0.895 37 Q CB -0.152 28.601 28.738 0.025 0.000 1.230 37 Q HN 1.671 nan 8.270 nan 0.000 0.450 38 L N 1.468 122.711 121.223 0.033 0.000 2.439 38 L HA 0.774 5.114 4.340 -0.000 0.000 0.269 38 L C -1.417 175.492 176.870 0.065 0.000 1.179 38 L CA -1.190 53.674 54.840 0.041 0.000 0.828 38 L CB -0.262 41.814 42.059 0.028 0.000 1.106 38 L HN 0.952 nan 8.230 nan 0.000 0.467 39 P HA 0.425 nan 4.420 nan 0.000 0.287 39 P C -0.757 176.641 177.300 0.162 0.000 1.292 39 P CA -0.729 62.442 63.100 0.117 0.000 0.879 39 P CB 0.850 32.606 31.700 0.093 0.000 1.214 40 H N -0.894 118.199 119.070 0.038 0.000 2.707 40 H HA 0.137 4.693 4.556 -0.000 0.000 0.359 40 H C -0.048 175.325 175.328 0.076 0.000 1.113 40 H CA -0.152 55.926 56.048 0.050 0.000 1.422 40 H CB 0.721 30.509 29.762 0.043 0.000 1.443 40 H HN 0.389 nan 8.280 nan 0.000 0.591 41 c N 5.421 124.097 118.600 0.127 0.000 2.566 41 c HA 0.107 4.676 4.570 -0.000 0.000 0.393 41 c C -1.694 172.489 174.090 0.156 0.000 1.309 41 c CA -1.536 54.889 56.329 0.160 0.000 1.801 41 c CB -0.735 41.919 42.510 0.240 0.000 2.493 41 c HN 0.606 nan 8.230 nan 0.000 0.575 42 P HA 0.131 nan 4.420 nan 0.000 0.257 42 P C 0.129 177.483 177.300 0.091 0.000 1.144 42 P CA 1.362 64.518 63.100 0.093 0.000 0.761 42 P CB 0.212 31.954 31.700 0.069 0.000 0.734 58 Q N 5.055 124.851 119.800 -0.007 0.000 2.788 58 Q HA 0.306 4.645 4.340 -0.000 0.000 0.278 58 Q C 0.549 176.486 176.000 -0.106 0.000 1.126 58 Q CA -0.301 55.477 55.803 -0.043 0.000 1.017 58 Q CB 1.074 29.779 28.738 -0.054 0.000 1.219 58 Q HN 0.761 nan 8.270 nan 0.000 0.503 59 L N -1.026 120.081 121.223 -0.193 0.000 2.616 59 L HA 0.278 4.618 4.340 -0.000 0.000 0.229 59 L C 0.212 176.688 176.870 -0.655 0.000 1.110 59 L CA 0.363 54.949 54.840 -0.423 0.000 0.884 59 L CB 0.428 42.179 42.059 -0.513 0.000 1.115 59 L HN 0.305 nan 8.230 nan 0.000 0.481 60 F N 0.499 120.334 119.950 -0.192 0.000 2.706 60 F HA 0.438 4.965 4.527 -0.000 0.000 0.313 60 F C 1.350 177.030 175.800 -0.200 0.000 1.096 60 F CA -0.380 57.428 58.000 -0.321 0.000 1.219 60 F CB 0.212 38.918 39.000 -0.489 0.000 1.051 60 F HN 0.023 nan 8.300 nan 0.000 0.568 61 A N 0.654 123.463 122.820 -0.018 0.000 2.498 61 A HA 0.111 4.431 4.320 -0.000 0.000 0.239 61 A C 0.125 177.714 177.584 0.008 0.000 1.068 61 A CA -0.334 51.678 52.037 -0.042 0.000 0.766 61 A CB -0.002 18.954 19.000 -0.074 0.000 1.003 61 A HN 0.129 nan 8.150 nan 0.000 0.497 62 D N 1.026 121.463 120.400 0.062 0.000 2.423 62 D HA 0.169 4.809 4.640 -0.000 0.000 0.238 62 D C 0.387 176.726 176.300 0.065 0.000 1.142 62 D CA 0.362 54.441 54.000 0.133 0.000 0.884 62 D CB 0.458 41.432 40.800 0.291 0.000 1.199 62 D HN 0.443 nan 8.370 nan 0.000 0.438 63 L N 1.518 122.770 121.223 0.047 0.000 2.525 63 L HA -0.048 4.292 4.340 -0.000 0.000 0.278 63 L C 1.323 178.205 176.870 0.021 0.000 1.218 63 L CA 0.078 54.925 54.840 0.011 0.000 0.878 63 L CB 0.121 42.176 42.059 -0.007 0.000 1.127 63 L HN 0.405 nan 8.230 nan 0.000 0.492 64 S N 2.977 118.690 115.700 0.022 0.000 2.614 64 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 64 S C 1.141 175.722 174.600 -0.031 0.000 1.303 64 S CA -0.715 57.516 58.200 0.052 0.000 1.000 64 S CB 1.187 64.403 63.200 0.028 0.000 0.935 64 S HN 0.613 nan 8.310 nan 0.000 0.551 65 R N 0.587 121.022 120.500 -0.109 0.000 2.133 65 R HA -0.207 4.133 4.340 -0.000 0.000 0.245 65 R C 2.154 178.379 176.300 -0.126 0.000 1.137 65 R CA 2.345 58.326 56.100 -0.198 0.000 0.947 65 R CB -0.598 29.524 30.300 -0.295 0.000 0.865 65 R HN 0.728 nan 8.270 nan 0.000 0.437 66 E N 0.336 120.480 120.200 -0.093 0.000 2.017 66 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 66 E C 1.868 178.436 176.600 -0.054 0.000 0.997 66 E CA 1.390 57.748 56.400 -0.070 0.000 0.804 66 E CB -0.120 29.545 29.700 -0.058 0.000 0.757 66 E HN 0.334 nan 8.360 nan 0.000 0.448 67 E N 0.094 120.266 120.200 -0.047 0.000 2.114 67 E HA -0.234 4.115 4.350 -0.000 0.000 0.199 67 E C 2.153 178.727 176.600 -0.044 0.000 1.008 67 E CA 1.194 57.569 56.400 -0.041 0.000 0.810 67 E CB -0.237 29.440 29.700 -0.039 0.000 0.739 67 E HN 0.197 nan 8.360 nan 0.000 0.456 68 L N 0.268 121.456 121.223 -0.059 0.000 1.994 68 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 68 L C 2.681 179.518 176.870 -0.055 0.000 1.071 68 L CA 1.391 56.191 54.840 -0.067 0.000 0.745 68 L CB -0.670 41.324 42.059 -0.108 0.000 0.892 68 L HN 0.149 nan 8.230 nan 0.000 0.431 69 T N -0.038 114.478 114.554 -0.064 0.000 2.665 69 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 69 T C 1.986 176.685 174.700 -0.003 0.000 1.035 69 T CA 1.501 63.575 62.100 -0.044 0.000 1.151 69 T CB -0.324 68.511 68.868 -0.054 0.000 0.862 69 T HN 0.468 nan 8.240 nan 0.000 0.438 70 A N 0.716 123.538 122.820 0.004 0.000 1.917 70 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 70 A C 2.563 180.190 177.584 0.072 0.000 1.182 70 A CA 1.774 53.843 52.037 0.052 0.000 0.633 70 A CB -0.974 18.053 19.000 0.044 0.000 0.819 70 A HN 0.398 nan 8.150 nan 0.000 0.448 71 V N -1.100 118.828 119.914 0.025 0.000 2.591 71 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 71 V C 2.484 178.634 176.094 0.094 0.000 1.053 71 V CA 2.018 64.336 62.300 0.030 0.000 1.068 71 V CB -0.532 31.279 31.823 -0.020 0.000 0.689 71 V HN 0.624 nan 8.190 nan 0.000 0.462 72 M N 1.144 120.776 119.600 0.054 0.000 2.086 72 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 72 M C 2.398 178.744 176.300 0.076 0.000 1.067 72 M CA 2.523 57.854 55.300 0.052 0.000 1.116 72 M CB -0.743 31.862 32.600 0.008 0.000 1.348 72 M HN 0.285 nan 8.290 nan 0.000 0.407 73 R N -0.192 120.355 120.500 0.079 0.000 2.097 73 R HA -0.231 4.109 4.340 -0.000 0.000 0.236 73 R C 2.237 178.605 176.300 0.113 0.000 1.135 73 R CA 2.484 58.634 56.100 0.082 0.000 0.934 73 R CB -2.555 27.800 30.300 0.092 0.000 0.846 73 R HN 0.660 nan 8.270 nan 0.000 0.431 74 F N 0.861 120.813 119.950 0.004 0.000 2.161 74 F HA -0.094 4.433 4.527 -0.000 0.000 0.300 74 F C 2.167 177.970 175.800 0.004 0.000 1.089 74 F CA 1.820 59.815 58.000 -0.010 0.000 1.282 74 F CB -0.067 38.906 39.000 -0.046 0.000 1.010 74 F HN 0.166 nan 8.300 nan 0.000 0.485 75 L N -0.606 120.759 121.223 0.237 0.000 2.044 75 L HA -0.205 4.135 4.340 -0.000 0.000 0.205 75 L C 2.404 179.302 176.870 0.046 0.000 1.075 75 L CA 1.712 56.645 54.840 0.155 0.000 0.747 75 L CB -1.075 41.081 42.059 0.163 0.000 0.903 75 L HN 0.134 nan 8.230 nan 0.000 0.435 76 T N -1.197 113.378 114.554 0.036 0.000 2.624 76 T HA -0.335 4.015 4.350 -0.000 0.000 0.268 76 T C 1.754 176.440 174.700 -0.023 0.000 1.041 76 T CA 1.628 63.737 62.100 0.016 0.000 1.159 76 T CB -0.340 68.537 68.868 0.015 0.000 0.863 76 T HN 0.271 nan 8.240 nan 0.000 0.434 77 Q N 0.436 120.191 119.800 -0.075 0.000 1.948 77 Q HA -0.077 4.263 4.340 -0.000 0.000 0.205 77 Q C 2.374 178.280 176.000 -0.158 0.000 0.992 77 Q CA 1.357 57.080 55.803 -0.133 0.000 0.849 77 Q CB -0.037 28.575 28.738 -0.210 0.000 0.918 77 Q HN 0.205 nan 8.270 nan 0.000 0.421 78 R N 0.180 120.524 120.500 -0.259 0.000 2.339 78 R HA 0.044 4.384 4.340 -0.000 0.000 0.199 78 R C 0.979 177.254 176.300 -0.042 0.000 1.018 78 R CA 0.529 56.509 56.100 -0.200 0.000 1.036 78 R CB -0.231 29.879 30.300 -0.318 0.000 0.899 78 R HN 0.338 nan 8.270 nan 0.000 0.473 79 L N -0.271 120.957 121.223 0.007 0.000 2.769 79 L HA 0.244 4.584 4.340 -0.000 0.000 0.240 79 L C 0.529 177.451 176.870 0.086 0.000 1.163 79 L CA -0.066 54.830 54.840 0.093 0.000 0.962 79 L CB 0.070 42.216 42.059 0.144 0.000 1.258 79 L HN 0.291 nan 8.230 nan 0.000 0.513 80 G N 1.009 109.832 108.800 0.038 0.000 2.860 80 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.553 80 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.553 80 G C -2.768 172.159 174.900 0.044 0.000 1.439 80 G CA -0.991 44.130 45.100 0.034 0.000 0.879 80 G HN 0.097 nan 8.290 nan 0.000 0.545 81 P HA 0.591 nan 4.420 nan 0.000 0.284 81 P C 0.877 178.213 177.300 0.060 0.000 1.292 81 P CA 1.171 64.297 63.100 0.043 0.000 0.800 81 P CB 0.827 32.545 31.700 0.030 0.000 1.188 82 G N -1.284 107.552 108.800 0.060 0.000 2.144 82 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 82 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 82 G C -0.405 174.550 174.900 0.091 0.000 0.988 82 G CA -0.452 44.692 45.100 0.073 0.000 0.659 82 G HN 0.552 nan 8.290 nan 0.000 0.522 83 L N 2.452 123.724 121.223 0.082 0.000 2.288 83 L HA 0.606 4.946 4.340 -0.000 0.000 0.283 83 L C 0.397 177.312 176.870 0.074 0.000 1.072 83 L CA -0.288 54.605 54.840 0.087 0.000 0.862 83 L CB 0.668 42.775 42.059 0.079 0.000 1.245 83 L HN -0.010 nan 8.230 nan 0.000 0.432 84 V N 3.554 123.518 119.914 0.084 0.000 2.607 84 V HA 0.120 4.240 4.120 -0.000 0.000 0.289 84 V C 0.454 176.593 176.094 0.075 0.000 1.053 84 V CA -0.898 61.450 62.300 0.080 0.000 0.996 84 V CB 1.447 33.328 31.823 0.097 0.000 0.995 84 V HN 0.644 nan 8.190 nan 0.000 0.476 85 D N 3.220 123.661 120.400 0.068 0.000 2.520 85 D HA 0.058 4.698 4.640 -0.000 0.000 0.243 85 D C 1.127 177.485 176.300 0.095 0.000 1.160 85 D CA 0.669 54.709 54.000 0.067 0.000 0.877 85 D CB 1.380 42.218 40.800 0.063 0.000 1.150 85 D HN 0.687 nan 8.370 nan 0.000 0.494 86 A N 4.309 127.182 122.820 0.088 0.000 2.076 86 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 86 A C 2.128 179.825 177.584 0.187 0.000 1.160 86 A CA 1.750 53.861 52.037 0.124 0.000 0.653 86 A CB -0.541 18.508 19.000 0.081 0.000 0.801 86 A HN 0.698 nan 8.150 nan 0.000 0.455 87 A N -1.179 121.744 122.820 0.171 0.000 2.125 87 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 87 A C 1.508 179.251 177.584 0.265 0.000 1.156 87 A CA 1.610 53.792 52.037 0.242 0.000 0.671 87 A CB -0.189 18.921 19.000 0.184 0.000 0.794 87 A HN 0.623 nan 8.150 nan 0.000 0.459 88 Q N -1.191 118.724 119.800 0.192 0.000 2.023 88 Q HA 0.546 4.886 4.340 -0.000 0.000 0.221 88 Q C 0.022 176.110 176.000 0.146 0.000 0.806 88 Q CA 0.355 56.254 55.803 0.159 0.000 1.052 88 Q CB 0.479 29.290 28.738 0.121 0.000 1.229 88 Q HN 0.416 nan 8.270 nan 0.000 0.440 89 A N 1.191 124.115 122.820 0.174 0.000 2.386 89 A HA 0.621 4.941 4.320 -0.000 0.000 0.248 89 A C 0.029 177.726 177.584 0.189 0.000 1.082 89 A CA -0.211 51.934 52.037 0.179 0.000 0.789 89 A CB 0.529 19.656 19.000 0.211 0.000 1.025 89 A HN 0.142 nan 8.150 nan 0.000 0.490 90 R N 0.883 121.489 120.500 0.177 0.000 2.875 90 R HA 0.376 4.716 4.340 -0.000 0.000 0.251 90 R C -2.114 174.328 176.300 0.236 0.000 1.123 90 R CA -2.004 54.199 56.100 0.171 0.000 1.064 90 R CB -0.230 30.125 30.300 0.092 0.000 1.205 90 R HN 0.368 nan 8.270 nan 0.000 0.503 91 P HA -0.148 nan 4.420 nan 0.000 0.216 91 P C 0.907 178.398 177.300 0.319 0.000 1.153 91 P CA 1.624 64.935 63.100 0.352 0.000 0.858 91 P CB 0.102 32.016 31.700 0.357 0.000 0.789 92 S N -2.314 113.494 115.700 0.180 0.000 2.607 92 S HA 0.014 4.484 4.470 -0.000 0.000 0.224 92 S C 0.711 175.382 174.600 0.118 0.000 0.969 92 S CA 0.054 58.313 58.200 0.099 0.000 0.927 92 S CB -0.806 62.426 63.200 0.054 0.000 0.772 92 S HN 0.071 nan 8.310 nan 0.000 0.533 93 D N 2.691 123.195 120.400 0.173 0.000 2.358 93 D HA 0.287 4.927 4.640 -0.000 0.000 0.244 93 D C -0.399 176.035 176.300 0.224 0.000 1.163 93 D CA 0.021 54.126 54.000 0.175 0.000 0.945 93 D CB 0.354 41.257 40.800 0.172 0.000 1.152 93 D HN 0.104 nan 8.370 nan 0.000 0.451 94 N N -0.191 118.630 118.700 0.201 0.000 2.421 94 N HA 0.418 5.158 4.740 -0.000 0.000 0.285 94 N C -0.658 174.944 175.510 0.153 0.000 1.027 94 N CA -0.281 52.903 53.050 0.223 0.000 0.918 94 N CB 1.279 39.927 38.487 0.268 0.000 1.152 94 N HN 0.317 nan 8.380 nan 0.000 0.485 95 C N 0.724 120.083 119.300 0.098 0.000 3.263 95 C HA 0.466 4.926 4.460 -0.000 0.000 0.369 95 C C -1.422 173.519 174.990 -0.082 0.000 1.634 95 C CA -0.473 58.558 59.018 0.022 0.000 1.143 95 C CB 0.843 28.614 27.740 0.053 0.000 1.910 95 C HN 0.358 nan 8.230 nan 0.000 0.425 96 V N 2.723 122.600 119.914 -0.061 0.000 2.350 96 V HA 0.364 4.484 4.120 -0.000 0.000 0.276 96 V C 0.254 176.297 176.094 -0.085 0.000 1.028 96 V CA 0.111 62.372 62.300 -0.065 0.000 0.860 96 V CB 1.153 32.968 31.823 -0.012 0.000 0.990 96 V HN 0.758 nan 8.190 nan 0.000 0.453 97 F N 4.107 123.857 119.950 -0.333 0.000 2.317 97 F HA 0.224 4.751 4.527 -0.000 0.000 0.293 97 F C 1.138 176.918 175.800 -0.032 0.000 1.085 97 F CA 0.714 58.494 58.000 -0.365 0.000 1.390 97 F CB 0.519 39.059 39.000 -0.767 0.000 1.077 97 F HN 0.547 nan 8.300 nan 0.000 0.517 98 S N -0.143 115.536 115.700 -0.035 0.000 2.537 98 S HA 0.687 5.157 4.470 -0.000 0.000 0.270 98 S C -1.573 173.068 174.600 0.068 0.000 1.142 98 S CA -0.705 57.482 58.200 -0.022 0.000 0.870 98 S CB 1.613 64.936 63.200 0.206 0.000 1.112 98 S HN -0.076 nan 8.310 nan 0.000 0.466 99 V N 2.763 122.693 119.914 0.026 0.000 2.525 99 V HA 0.755 4.875 4.120 -0.000 0.000 0.299 99 V C -0.531 175.583 176.094 0.033 0.000 1.034 99 V CA -0.272 62.053 62.300 0.042 0.000 0.863 99 V CB 1.229 33.056 31.823 0.006 0.000 0.999 99 V HN 1.111 nan 8.190 nan 0.000 0.423 100 E N 4.514 124.757 120.200 0.072 0.000 2.445 100 E HA 0.604 4.953 4.350 -0.000 0.000 0.279 100 E C -1.215 175.437 176.600 0.088 0.000 1.018 100 E CA -1.210 55.235 56.400 0.075 0.000 0.816 100 E CB 1.982 31.741 29.700 0.098 0.000 1.356 100 E HN 0.397 nan 8.360 nan 0.000 0.462 101 L N 1.648 122.925 121.223 0.090 0.000 2.559 101 L HA 0.086 4.426 4.340 -0.000 0.000 0.282 101 L C -0.314 176.615 176.870 0.099 0.000 1.232 101 L CA 0.760 55.645 54.840 0.076 0.000 0.885 101 L CB 0.486 42.591 42.059 0.078 0.000 1.131 101 L HN 0.669 nan 8.230 nan 0.000 0.498 102 Q N 4.399 124.244 119.800 0.077 0.000 2.340 102 Q HA 0.449 4.789 4.340 -0.000 0.000 0.259 102 Q C -1.226 174.817 176.000 0.073 0.000 0.964 102 Q CA -0.115 55.745 55.803 0.096 0.000 0.900 102 Q CB 0.800 29.593 28.738 0.091 0.000 1.228 102 Q HN 0.741 nan 8.270 nan 0.000 0.449 103 L N 6.836 128.122 121.223 0.104 0.000 2.426 103 L HA 0.365 4.705 4.340 -0.000 0.000 0.271 103 L C -1.681 175.240 176.870 0.085 0.000 1.169 103 L CA -1.629 53.267 54.840 0.092 0.000 0.836 103 L CB 0.376 42.538 42.059 0.172 0.000 1.112 103 L HN 0.677 nan 8.230 nan 0.000 0.465 104 P HA 0.229 nan 4.420 nan 0.000 0.274 104 P C -2.603 174.767 177.300 0.116 0.000 1.237 104 P CA -1.393 61.726 63.100 0.033 0.000 0.793 104 P CB -0.241 31.415 31.700 -0.073 0.000 0.977 105 P HA 0.141 nan 4.420 nan 0.000 0.272 105 P C 1.023 178.381 177.300 0.097 0.000 1.223 105 P CA -0.180 62.968 63.100 0.081 0.000 0.784 105 P CB 0.707 32.431 31.700 0.040 0.000 0.923 106 K N 1.744 122.168 120.400 0.041 0.000 2.001 106 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 106 K C 1.859 178.446 176.600 -0.022 0.000 1.048 106 K CA 1.551 57.795 56.287 -0.072 0.000 0.932 106 K CB -0.608 31.674 32.500 -0.364 0.000 0.715 106 K HN 0.493 nan 8.250 nan 0.000 0.437 107 A N 1.349 124.155 122.820 -0.023 0.000 1.873 107 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 107 A C 2.343 179.949 177.584 0.037 0.000 1.193 107 A CA 2.442 54.479 52.037 0.000 0.000 0.629 107 A CB -0.920 18.078 19.000 -0.004 0.000 0.826 107 A HN 0.480 nan 8.150 nan 0.000 0.447 108 A N -0.410 122.434 122.820 0.039 0.000 1.877 108 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 108 A C 2.564 180.198 177.584 0.083 0.000 1.186 108 A CA 2.352 54.417 52.037 0.046 0.000 0.620 108 A CB -1.199 17.813 19.000 0.019 0.000 0.822 108 A HN 1.228 nan 8.150 nan 0.000 0.443 109 A N -0.351 122.533 122.820 0.107 0.000 1.917 109 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 109 A C 2.215 179.943 177.584 0.240 0.000 1.182 109 A CA 1.693 53.830 52.037 0.168 0.000 0.633 109 A CB -0.607 18.576 19.000 0.305 0.000 0.819 109 A HN 0.491 nan 8.150 nan 0.000 0.448 110 L N -1.181 120.168 121.223 0.209 0.000 2.044 110 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 110 L C 3.155 180.102 176.870 0.128 0.000 1.075 110 L CA 0.906 55.855 54.840 0.182 0.000 0.747 110 L CB -0.724 41.407 42.059 0.119 0.000 0.903 110 L HN 0.439 nan 8.230 nan 0.000 0.435 111 A N -0.081 122.801 122.820 0.104 0.000 1.915 111 A HA -0.372 3.948 4.320 -0.000 0.000 0.220 111 A C 2.120 179.768 177.584 0.107 0.000 1.198 111 A CA 2.606 54.695 52.037 0.087 0.000 0.647 111 A CB -1.019 18.026 19.000 0.074 0.000 0.825 111 A HN 0.588 nan 8.150 nan 0.000 0.456 112 H N -0.581 118.511 119.070 0.037 0.000 2.326 112 H HA 0.088 4.644 4.556 -0.000 0.000 0.301 112 H C 1.747 177.099 175.328 0.040 0.000 1.081 112 H CA 1.848 57.910 56.048 0.023 0.000 1.334 112 H CB -0.299 29.460 29.762 -0.004 0.000 1.385 112 H HN 0.357 nan 8.280 nan 0.000 0.504 113 L N -0.239 120.967 121.223 -0.029 0.000 2.141 113 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 113 L C 1.420 178.266 176.870 -0.041 0.000 1.094 113 L CA 1.333 56.134 54.840 -0.064 0.000 0.763 113 L CB -0.063 42.072 42.059 0.127 0.000 0.908 113 L HN 0.398 nan 8.230 nan 0.000 0.437 114 D N -1.125 119.279 120.400 0.008 0.000 3.161 114 D HA 0.028 4.668 4.640 -0.000 0.000 0.287 114 D C 2.396 178.699 176.300 0.006 0.000 1.343 114 D CA 0.938 54.951 54.000 0.021 0.000 1.070 114 D CB -0.275 40.561 40.800 0.059 0.000 1.188 114 D HN 0.016 nan 8.370 nan 0.000 0.409 115 R N 1.032 121.544 120.500 0.021 0.000 2.193 115 R HA 0.077 4.417 4.340 -0.000 0.000 0.229 115 R C 1.833 178.138 176.300 0.009 0.000 1.110 115 R CA 1.986 58.099 56.100 0.021 0.000 0.988 115 R CB -1.493 28.828 30.300 0.034 0.000 0.871 115 R HN 0.453 nan 8.270 nan 0.000 0.458 116 G N -1.409 107.383 108.800 -0.013 0.000 2.176 116 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 116 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 116 G C 0.657 175.584 174.900 0.045 0.000 0.979 116 G CA 0.551 45.636 45.100 -0.024 0.000 0.641 116 G HN 0.876 nan 8.290 nan 0.000 0.530 117 S N 2.077 117.823 115.700 0.077 0.000 2.592 117 S HA 0.418 4.888 4.470 -0.000 0.000 0.256 117 S C -1.346 173.372 174.600 0.197 0.000 1.369 117 S CA 0.036 58.299 58.200 0.104 0.000 0.984 117 S CB 0.600 63.849 63.200 0.082 0.000 0.919 117 S HN 0.502 nan 8.310 nan 0.000 0.576 118 P HA 0.289 nan 4.420 nan 0.000 0.272 118 P C -2.773 174.481 177.300 -0.076 0.000 1.240 118 P CA -1.515 61.619 63.100 0.057 0.000 0.791 118 P CB -0.847 30.854 31.700 0.002 0.000 0.978 119 P HA 0.209 nan 4.420 nan 0.000 0.271 119 P C -2.019 175.138 177.300 -0.239 0.000 1.218 119 P CA -1.080 61.681 63.100 -0.565 0.000 0.780 119 P CB -1.155 30.170 31.700 -0.626 0.000 0.901 120 P HA 0.126 nan 4.420 nan 0.000 0.272 120 P C -0.644 176.598 177.300 -0.098 0.000 1.230 120 P CA -0.363 62.677 63.100 -0.100 0.000 0.788 120 P CB 0.367 32.025 31.700 -0.070 0.000 0.949 121 A N 2.293 125.087 122.820 -0.044 0.000 2.561 121 A HA -0.019 4.301 4.320 -0.000 0.000 0.251 121 A C 0.718 178.284 177.584 -0.031 0.000 1.062 121 A CA 0.055 52.086 52.037 -0.010 0.000 0.761 121 A CB -0.668 18.377 19.000 0.075 0.000 0.986 121 A HN 0.566 nan 8.150 nan 0.000 0.510 122 R N 2.611 123.075 120.500 -0.059 0.000 2.296 122 R HA 0.282 4.622 4.340 -0.000 0.000 0.323 122 R C -0.190 176.076 176.300 -0.056 0.000 1.067 122 R CA 0.290 56.345 56.100 -0.075 0.000 0.946 122 R CB 0.247 30.491 30.300 -0.094 0.000 0.991 122 R HN 0.874 nan 8.270 nan 0.000 0.448 123 E N 1.953 122.133 120.200 -0.034 0.000 2.370 123 E HA 0.707 5.057 4.350 -0.000 0.000 0.259 123 E C -1.286 175.303 176.600 -0.019 0.000 0.947 123 E CA -1.333 55.053 56.400 -0.024 0.000 0.809 123 E CB 1.973 31.703 29.700 0.050 0.000 1.300 123 E HN 0.633 nan 8.360 nan 0.000 0.419 124 A N 0.852 123.663 122.820 -0.015 0.000 2.498 124 A HA 0.655 4.975 4.320 -0.000 0.000 0.298 124 A C -1.812 175.805 177.584 0.055 0.000 1.075 124 A CA -0.572 51.473 52.037 0.013 0.000 0.714 124 A CB 1.193 20.181 19.000 -0.019 0.000 1.299 124 A HN 0.382 nan 8.150 nan 0.000 0.407 125 L N 1.323 122.604 121.223 0.096 0.000 2.322 125 L HA 0.860 5.200 4.340 -0.000 0.000 0.281 125 L C -0.022 176.941 176.870 0.155 0.000 1.014 125 L CA -0.041 54.884 54.840 0.141 0.000 0.815 125 L CB 1.649 43.816 42.059 0.181 0.000 1.247 125 L HN 1.061 nan 8.230 nan 0.000 0.421 126 A N 5.993 128.913 122.820 0.167 0.000 2.343 126 A HA 0.757 5.077 4.320 -0.000 0.000 0.316 126 A C -0.909 176.808 177.584 0.221 0.000 1.104 126 A CA -0.487 51.652 52.037 0.170 0.000 0.768 126 A CB 0.706 19.784 19.000 0.131 0.000 1.213 126 A HN 0.672 nan 8.150 nan 0.000 0.456 127 I N 2.655 123.385 120.570 0.267 0.000 2.321 127 I HA 0.394 4.563 4.170 -0.000 0.000 0.291 127 I C -0.690 175.550 176.117 0.205 0.000 0.998 127 I CA -0.624 60.876 61.300 0.334 0.000 1.227 127 I CB 1.656 39.974 38.000 0.530 0.000 1.368 127 I HN 0.288 nan 8.210 nan 0.000 0.466 128 V N 6.706 126.691 119.914 0.118 0.000 2.448 128 V HA 0.389 4.509 4.120 -0.000 0.000 0.295 128 V C -0.378 175.707 176.094 -0.015 0.000 1.025 128 V CA -0.639 61.584 62.300 -0.128 0.000 0.859 128 V CB 1.618 33.179 31.823 -0.437 0.000 0.988 128 V HN 0.316 nan 8.190 nan 0.000 0.431 129 F N 4.500 124.360 119.950 -0.150 0.000 2.424 129 F HA 0.508 5.035 4.527 -0.000 0.000 0.356 129 F C -0.046 175.734 175.800 -0.034 0.000 1.110 129 F CA -1.490 56.521 58.000 0.019 0.000 1.161 129 F CB 0.489 39.568 39.000 0.132 0.000 1.115 129 F HN 0.310 nan 8.300 nan 0.000 0.507 130 F N 2.047 122.270 119.950 0.454 0.000 2.300 130 F HA 0.409 4.936 4.527 -0.000 0.000 0.364 130 F C 1.151 176.946 175.800 -0.008 0.000 1.090 130 F CA -0.832 57.291 58.000 0.204 0.000 1.200 130 F CB 0.882 39.961 39.000 0.130 0.000 1.493 130 F HN 0.587 nan 8.300 nan 0.000 0.518 131 G N 0.813 109.714 108.800 0.168 0.000 2.441 131 G HA2 0.044 4.004 3.960 -0.000 0.000 0.212 131 G HA3 0.044 4.004 3.960 -0.000 0.000 0.212 131 G C 1.293 176.168 174.900 -0.041 0.000 1.164 131 G CA -0.034 44.993 45.100 -0.121 0.000 0.811 131 G HN 0.499 nan 8.290 nan 0.000 0.535 132 R N 0.161 120.704 120.500 0.073 0.000 3.152 132 R HA 0.581 4.921 4.340 -0.000 0.000 0.209 132 R C 0.218 176.532 176.300 0.024 0.000 1.649 132 R CA 1.077 57.208 56.100 0.051 0.000 1.185 132 R CB -1.576 28.773 30.300 0.081 0.000 1.258 132 R HN 1.130 nan 8.270 nan 0.000 0.656 133 Q N 0.675 120.461 119.800 -0.024 0.000 2.503 133 Q HA 0.514 4.854 4.340 -0.000 0.000 0.268 133 Q C -2.547 173.419 176.000 -0.058 0.000 0.982 133 Q CA -0.526 55.252 55.803 -0.042 0.000 0.907 133 Q CB 1.094 29.803 28.738 -0.049 0.000 1.467 133 Q HN 0.360 nan 8.270 nan 0.000 0.394 134 P HA -0.092 nan 4.420 nan 0.000 0.215 134 P C 0.092 177.365 177.300 -0.046 0.000 1.157 134 P CA 1.352 64.428 63.100 -0.039 0.000 0.868 134 P CB 0.486 32.167 31.700 -0.030 0.000 0.788 135 Q N -0.229 119.542 119.800 -0.048 0.000 2.560 135 Q HA 0.292 4.632 4.340 -0.000 0.000 0.238 135 Q C -2.453 173.509 176.000 -0.064 0.000 1.079 135 Q CA -1.883 53.894 55.803 -0.044 0.000 0.866 135 Q CB 0.546 29.270 28.738 -0.022 0.000 1.153 135 Q HN 0.164 nan 8.270 nan 0.000 0.530 136 P HA 0.208 nan 4.420 nan 0.000 0.275 136 P C -0.857 176.400 177.300 -0.072 0.000 1.227 136 P CA -0.448 62.504 63.100 -0.246 0.000 0.781 136 P CB 0.908 32.167 31.700 -0.735 0.000 0.906 137 N N 0.347 119.125 118.700 0.131 0.000 2.455 137 N HA 0.434 5.174 4.740 -0.000 0.000 0.278 137 N C -1.526 174.223 175.510 0.397 0.000 1.291 137 N CA -1.050 52.156 53.050 0.260 0.000 0.780 137 N CB 0.795 39.380 38.487 0.163 0.000 1.520 137 N HN 0.015 nan 8.380 nan 0.000 0.486 138 V N 0.382 120.400 119.914 0.173 0.000 2.481 138 V HA 0.617 4.737 4.120 -0.000 0.000 0.286 138 V C -0.138 176.047 176.094 0.150 0.000 1.042 138 V CA -0.358 62.008 62.300 0.111 0.000 0.928 138 V CB 1.087 32.802 31.823 -0.179 0.000 0.986 138 V HN 0.788 nan 8.190 nan 0.000 0.462 139 S N 3.054 118.903 115.700 0.247 0.000 2.526 139 S HA 0.519 4.989 4.470 -0.000 0.000 0.293 139 S C -0.770 173.991 174.600 0.269 0.000 1.092 139 S CA -0.760 57.611 58.200 0.285 0.000 0.980 139 S CB 1.715 65.202 63.200 0.479 0.000 1.048 139 S HN 0.789 nan 8.310 nan 0.000 0.483 140 E N 1.624 121.984 120.200 0.266 0.000 2.133 140 E HA 0.456 4.806 4.350 -0.000 0.000 0.274 140 E C -1.433 175.304 176.600 0.228 0.000 0.930 140 E CA -0.648 55.915 56.400 0.272 0.000 0.770 140 E CB 1.013 30.893 29.700 0.299 0.000 1.104 140 E HN 0.114 nan 8.360 nan 0.000 0.403 141 L N 3.536 124.889 121.223 0.218 0.000 2.343 141 L HA 0.306 4.646 4.340 -0.000 0.000 0.278 141 L C -0.697 176.275 176.870 0.170 0.000 0.996 141 L CA -0.835 54.124 54.840 0.199 0.000 0.831 141 L CB 1.800 43.987 42.059 0.214 0.000 1.232 141 L HN 0.330 nan 8.230 nan 0.000 0.413 142 V N 4.747 124.758 119.914 0.162 0.000 2.461 142 V HA 0.457 4.577 4.120 -0.000 0.000 0.275 142 V C 0.022 176.191 176.094 0.125 0.000 1.047 142 V CA -0.505 61.882 62.300 0.145 0.000 0.955 142 V CB 1.644 33.562 31.823 0.160 0.000 0.988 142 V HN 0.437 nan 8.190 nan 0.000 0.471 143 V N 4.597 124.517 119.914 0.010 0.000 2.448 143 V HA 0.985 5.105 4.120 -0.000 0.000 0.295 143 V C 0.503 176.352 176.094 -0.407 0.000 1.025 143 V CA 0.217 62.388 62.300 -0.214 0.000 0.859 143 V CB 1.365 33.062 31.823 -0.211 0.000 0.988 143 V HN 1.073 nan 8.190 nan 0.000 0.431 144 G N 5.377 113.596 108.800 -0.968 0.000 2.554 144 G HA2 0.671 4.631 3.960 -0.000 0.000 0.306 144 G HA3 0.671 4.631 3.960 -0.000 0.000 0.306 144 G C -3.491 170.491 174.900 -1.529 0.000 1.320 144 G CA -0.838 43.675 45.100 -0.978 0.000 0.800 144 G HN 0.467 nan 8.290 nan 0.000 0.481 145 P HA 0.562 nan 4.420 nan 0.000 0.298 145 P C -0.552 176.621 177.300 -0.211 0.000 1.314 145 P CA -0.560 62.391 63.100 -0.249 0.000 0.854 145 P CB 1.775 33.468 31.700 -0.011 0.000 1.019 146 L N 5.564 126.691 121.223 -0.160 0.000 2.467 146 L HA 0.197 4.537 4.340 -0.000 0.000 0.270 146 L C -0.593 176.242 176.870 -0.060 0.000 1.205 146 L CA -0.790 53.988 54.840 -0.104 0.000 0.828 146 L CB -0.470 41.534 42.059 -0.091 0.000 1.101 146 L HN 0.378 nan 8.230 nan 0.000 0.479 147 P HA -0.069 nan 4.420 nan 0.000 0.245 147 P C -0.084 177.252 177.300 0.060 0.000 1.206 147 P CA 0.957 64.051 63.100 -0.010 0.000 0.781 147 P CB 0.201 31.892 31.700 -0.015 0.000 0.994 148 H N 1.067 120.084 119.070 -0.088 0.000 2.854 148 H HA 0.283 4.839 4.556 -0.000 0.000 0.275 148 H C -2.436 172.810 175.328 -0.137 0.000 1.198 148 H CA -2.209 53.792 56.048 -0.079 0.000 1.489 148 H CB 1.787 31.529 29.762 -0.033 0.000 1.519 148 H HN -0.028 nan 8.280 nan 0.000 0.503 149 P HA -0.004 nan 4.420 nan 0.000 0.271 149 P C 0.376 177.282 177.300 -0.657 0.000 1.218 149 P CA -0.014 62.702 63.100 -0.639 0.000 0.780 149 P CB 1.850 33.003 31.700 -0.913 0.000 0.901 150 S N 1.018 116.359 115.700 -0.598 0.000 2.663 150 S HA 0.119 4.589 4.470 -0.000 0.000 0.247 150 S C 0.413 175.038 174.600 0.042 0.000 1.074 150 S CA -0.267 57.855 58.200 -0.130 0.000 0.955 150 S CB -0.500 62.694 63.200 -0.009 0.000 0.901 150 S HN 0.525 nan 8.310 nan 0.000 0.505 151 Y N 0.517 120.735 120.300 -0.138 0.000 2.650 151 Y HA 0.861 5.411 4.550 -0.000 0.000 0.331 151 Y C -0.539 175.342 175.900 -0.032 0.000 1.082 151 Y CA -1.736 56.378 58.100 0.023 0.000 1.171 151 Y CB 1.155 39.616 38.460 0.001 0.000 1.326 151 Y HN 0.233 nan 8.280 nan 0.000 0.513 152 M N 1.959 121.788 119.600 0.380 0.000 2.298 152 M HA 0.515 4.995 4.480 -0.000 0.000 0.255 152 M C -2.506 173.958 176.300 0.273 0.000 1.021 152 M CA -0.418 55.059 55.300 0.295 0.000 0.968 152 M CB 1.794 34.627 32.600 0.389 0.000 2.037 152 M HN 0.937 nan 8.290 nan 0.000 0.478 153 R N 2.508 123.149 120.500 0.236 0.000 2.534 153 R HA 0.391 4.731 4.340 -0.000 0.000 0.301 153 R C -1.459 174.934 176.300 0.154 0.000 0.961 153 R CA -0.893 55.307 56.100 0.167 0.000 0.871 153 R CB 2.058 32.431 30.300 0.122 0.000 1.170 153 R HN 0.715 nan 8.270 nan 0.000 0.446 154 D N 2.301 122.784 120.400 0.138 0.000 2.336 154 D HA 0.057 4.697 4.640 -0.000 0.000 0.249 154 D C 1.076 177.441 176.300 0.108 0.000 1.213 154 D CA -0.317 53.769 54.000 0.142 0.000 0.870 154 D CB 1.273 42.157 40.800 0.140 0.000 1.076 154 D HN 0.379 nan 8.370 nan 0.000 0.483 155 V N 0.975 120.954 119.914 0.110 0.000 3.650 155 V HA 0.037 4.157 4.120 -0.000 0.000 0.271 155 V C 1.736 177.855 176.094 0.041 0.000 1.281 155 V CA 0.574 62.914 62.300 0.067 0.000 1.120 155 V CB -0.365 31.499 31.823 0.068 0.000 0.856 155 V HN 0.506 nan 8.190 nan 0.000 0.443 156 T N 2.289 116.900 114.554 0.094 0.000 2.592 156 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 156 T C 1.906 176.639 174.700 0.055 0.000 1.060 156 T CA 2.576 64.746 62.100 0.116 0.000 1.167 156 T CB -0.535 68.433 68.868 0.167 0.000 0.863 156 T HN 0.467 nan 8.240 nan 0.000 0.431 157 V N 1.297 121.246 119.914 0.058 0.000 2.427 157 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 157 V C 2.474 178.578 176.094 0.016 0.000 1.051 157 V CA 1.683 64.011 62.300 0.047 0.000 1.048 157 V CB -0.728 31.121 31.823 0.044 0.000 0.666 157 V HN 0.520 nan 8.190 nan 0.000 0.456 158 E N 0.683 120.884 120.200 0.001 0.000 2.033 158 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 158 E C 2.513 179.079 176.600 -0.056 0.000 1.011 158 E CA 1.878 58.268 56.400 -0.016 0.000 0.815 158 E CB -0.033 29.662 29.700 -0.010 0.000 0.755 158 E HN 0.553 nan 8.360 nan 0.000 0.451 159 R N -0.902 119.511 120.500 -0.145 0.000 2.057 159 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 159 R C 2.069 178.189 176.300 -0.301 0.000 1.136 159 R CA 1.334 57.252 56.100 -0.302 0.000 0.952 159 R CB -0.213 29.756 30.300 -0.551 0.000 0.848 159 R HN 0.361 nan 8.270 nan 0.000 0.430 160 H N -0.997 118.119 119.070 0.076 0.000 2.549 160 H HA 0.226 4.782 4.556 -0.000 0.000 0.279 160 H C 0.917 176.273 175.328 0.047 0.000 1.018 160 H CA 0.543 56.630 56.048 0.066 0.000 1.175 160 H CB 0.765 30.561 29.762 0.058 0.000 1.485 160 H HN 0.503 nan 8.280 nan 0.000 0.543 161 G N 0.769 109.625 108.800 0.093 0.000 2.225 161 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.267 161 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.267 161 G C 0.596 175.537 174.900 0.068 0.000 1.024 161 G CA 0.700 45.840 45.100 0.068 0.000 0.784 161 G HN 0.926 nan 8.290 nan 0.000 0.507 162 G N -1.473 107.374 108.800 0.079 0.000 2.336 162 G HA2 0.620 4.580 3.960 -0.000 0.000 0.300 162 G HA3 0.620 4.580 3.960 -0.000 0.000 0.300 162 G C -2.999 171.942 174.900 0.069 0.000 1.375 162 G CA 0.027 45.165 45.100 0.062 0.000 0.885 162 G HN 0.627 nan 8.290 nan 0.000 0.599 163 P HA 0.359 nan 4.420 nan 0.000 0.272 163 P C -0.208 177.085 177.300 -0.012 0.000 1.223 163 P CA -0.226 62.896 63.100 0.036 0.000 0.784 163 P CB 0.988 32.706 31.700 0.030 0.000 0.923 164 L N 4.032 125.218 121.223 -0.060 0.000 2.283 164 L HA 0.280 4.620 4.340 -0.000 0.000 0.287 164 L C -1.955 174.790 176.870 -0.208 0.000 1.073 164 L CA -2.087 52.620 54.840 -0.222 0.000 0.822 164 L CB 0.515 42.318 42.059 -0.428 0.000 1.186 164 L HN 0.190 nan 8.230 nan 0.000 0.436 165 P HA -0.135 nan 4.420 nan 0.000 0.265 165 P C 0.029 177.142 177.300 -0.311 0.000 1.187 165 P CA 0.215 63.173 63.100 -0.237 0.000 0.766 165 P CB 0.419 31.885 31.700 -0.389 0.000 0.820 166 Y N 3.175 123.331 120.300 -0.239 0.000 2.293 166 Y HA -0.219 4.331 4.550 -0.000 0.000 0.291 166 Y C 2.409 178.166 175.900 -0.238 0.000 1.137 166 Y CA 1.659 59.630 58.100 -0.216 0.000 1.202 166 Y CB -0.547 37.864 38.460 -0.083 0.000 0.990 166 Y HN 0.524 nan 8.280 nan 0.000 0.537 167 H N -1.262 117.763 119.070 -0.076 0.000 2.521 167 H HA -0.012 4.544 4.556 -0.000 0.000 0.286 167 H C 1.585 176.816 175.328 -0.161 0.000 1.034 167 H CA 1.077 57.053 56.048 -0.120 0.000 1.278 167 H CB -0.347 29.388 29.762 -0.046 0.000 1.386 167 H HN 0.312 nan 8.280 nan 0.000 0.567 168 R N 1.402 121.587 120.500 -0.526 0.000 2.280 168 R HA 0.004 4.344 4.340 -0.000 0.000 0.207 168 R C 1.046 177.215 176.300 -0.218 0.000 1.043 168 R CA 0.137 56.059 56.100 -0.297 0.000 1.006 168 R CB -0.013 30.069 30.300 -0.365 0.000 0.885 168 R HN 0.439 nan 8.270 nan 0.000 0.467 169 R N 2.380 122.602 120.500 -0.464 0.000 2.643 169 R HA 0.133 4.473 4.340 -0.000 0.000 0.270 169 R C -2.573 173.480 176.300 -0.411 0.000 1.061 169 R CA -1.660 54.079 56.100 -0.601 0.000 1.107 169 R CB -0.103 29.295 30.300 -1.504 0.000 0.999 169 R HN -0.241 nan 8.270 nan 0.000 0.460 170 P HA -0.059 nan 4.420 nan 0.000 0.267 170 P C -0.572 176.660 177.300 -0.112 0.000 1.200 170 P CA -0.250 62.731 63.100 -0.198 0.000 0.772 170 P CB 0.516 32.127 31.700 -0.149 0.000 0.855 171 V N 4.783 124.652 119.914 -0.075 0.000 2.485 171 V HA -0.031 4.089 4.120 -0.000 0.000 0.287 171 V C 0.999 177.124 176.094 0.052 0.000 1.022 171 V CA 0.239 62.463 62.300 -0.127 0.000 1.067 171 V CB -0.590 30.977 31.823 -0.427 0.000 0.967 171 V HN 0.372 nan 8.190 nan 0.000 0.479 172 L N 4.207 125.532 121.223 0.169 0.000 2.476 172 L HA 0.116 4.456 4.340 -0.000 0.000 0.264 172 L C 1.382 178.521 176.870 0.449 0.000 1.224 172 L CA -0.091 54.989 54.840 0.399 0.000 0.821 172 L CB 0.032 42.330 42.059 0.399 0.000 1.101 172 L HN 0.662 nan 8.230 nan 0.000 0.488 173 F N 0.980 121.197 119.950 0.445 0.000 2.102 173 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 173 F C 2.409 178.443 175.800 0.389 0.000 1.105 173 F CA 1.852 60.147 58.000 0.490 0.000 1.239 173 F CB -0.184 39.038 39.000 0.370 0.000 0.991 173 F HN 0.587 nan 8.300 nan 0.000 0.474 174 Q N 0.920 120.802 119.800 0.136 0.000 2.084 174 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 174 Q C 2.262 178.301 176.000 0.065 0.000 0.978 174 Q CA 2.257 58.067 55.803 0.011 0.000 0.844 174 Q CB -0.653 28.166 28.738 0.136 0.000 0.898 174 Q HN 0.653 nan 8.270 nan 0.000 0.426 175 E N -1.454 118.828 120.200 0.137 0.000 2.118 175 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 175 E C 1.510 178.134 176.600 0.039 0.000 0.992 175 E CA 1.343 57.827 56.400 0.139 0.000 0.804 175 E CB -0.197 29.539 29.700 0.059 0.000 0.741 175 E HN 0.517 nan 8.360 nan 0.000 0.458 176 Y N 0.482 120.839 120.300 0.095 0.000 2.200 176 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 176 Y C 2.204 178.097 175.900 -0.012 0.000 1.137 176 Y CA 1.128 59.269 58.100 0.068 0.000 1.163 176 Y CB -0.329 38.239 38.460 0.180 0.000 0.988 176 Y HN 0.071 nan 8.280 nan 0.000 0.518 177 L N -0.394 120.849 121.223 0.034 0.000 2.012 177 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 177 L C 2.068 178.968 176.870 0.050 0.000 1.073 177 L CA 1.518 56.337 54.840 -0.034 0.000 0.748 177 L CB -0.602 41.346 42.059 -0.186 0.000 0.891 177 L HN 0.183 nan 8.230 nan 0.000 0.431 178 D N 0.326 120.779 120.400 0.089 0.000 2.116 178 D HA -0.208 4.432 4.640 -0.000 0.000 0.193 178 D C 2.226 178.659 176.300 0.222 0.000 0.998 178 D CA 1.425 55.507 54.000 0.136 0.000 0.836 178 D CB -0.228 40.666 40.800 0.156 0.000 0.951 178 D HN 0.331 nan 8.370 nan 0.000 0.449 179 I N 0.973 121.694 120.570 0.251 0.000 2.264 179 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 179 I C 1.783 177.894 176.117 -0.011 0.000 1.111 179 I CA 1.127 62.477 61.300 0.083 0.000 1.382 179 I CB -0.133 37.729 38.000 -0.231 0.000 1.060 179 I HN -0.118 nan 8.210 nan 0.000 0.418 180 D N 0.221 120.649 120.400 0.047 0.000 2.144 180 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 180 D C 2.300 178.749 176.300 0.248 0.000 0.978 180 D CA 0.832 54.935 54.000 0.173 0.000 0.833 180 D CB -0.197 40.754 40.800 0.251 0.000 0.961 180 D HN 0.300 nan 8.370 nan 0.000 0.470 181 Q N 0.041 119.935 119.800 0.158 0.000 2.045 181 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 181 Q C 2.269 178.340 176.000 0.119 0.000 0.991 181 Q CA 1.132 57.013 55.803 0.131 0.000 0.851 181 Q CB -0.442 28.338 28.738 0.071 0.000 0.911 181 Q HN 0.388 nan 8.270 nan 0.000 0.418 182 M N 0.343 120.001 119.600 0.098 0.000 2.110 182 M HA -0.245 4.235 4.480 -0.000 0.000 0.257 182 M C 2.102 178.415 176.300 0.021 0.000 1.071 182 M CA 1.753 57.099 55.300 0.076 0.000 1.096 182 M CB -0.188 32.491 32.600 0.131 0.000 1.300 182 M HN 0.154 nan 8.290 nan 0.000 0.411 183 I N -0.507 120.029 120.570 -0.055 0.000 2.179 183 I HA -0.296 3.873 4.170 -0.000 0.000 0.242 183 I C 1.956 177.922 176.117 -0.253 0.000 1.088 183 I CA 1.524 62.681 61.300 -0.238 0.000 1.357 183 I CB -0.381 37.333 38.000 -0.476 0.000 1.051 183 I HN 0.257 nan 8.210 nan 0.000 0.409 184 F N 0.535 120.497 119.950 0.020 0.000 2.270 184 F HA -0.052 4.475 4.527 -0.000 0.000 0.295 184 F C 2.299 178.139 175.800 0.066 0.000 1.087 184 F CA 0.816 58.849 58.000 0.055 0.000 1.365 184 F CB -0.476 38.552 39.000 0.047 0.000 1.056 184 F HN 0.069 nan 8.300 nan 0.000 0.506 185 N N 0.239 119.065 118.700 0.211 0.000 2.176 185 N HA -0.004 4.736 4.740 -0.000 0.000 0.187 185 N C 1.863 177.426 175.510 0.089 0.000 1.043 185 N CA 0.993 54.122 53.050 0.133 0.000 0.851 185 N CB -0.506 38.038 38.487 0.095 0.000 1.018 185 N HN 0.177 nan 8.380 nan 0.000 0.436 186 R N 0.616 121.152 120.500 0.060 0.000 2.153 186 R HA 0.098 4.438 4.340 -0.000 0.000 0.218 186 R C 1.275 177.586 176.300 0.018 0.000 1.072 186 R CA 0.796 56.919 56.100 0.037 0.000 0.990 186 R CB 0.185 30.504 30.300 0.032 0.000 0.889 186 R HN 0.309 nan 8.270 nan 0.000 0.452 187 E N 0.584 120.780 120.200 -0.006 0.000 2.182 187 E HA 0.076 4.426 4.350 -0.000 0.000 0.195 187 E C 2.190 178.741 176.600 -0.081 0.000 0.933 187 E CA 0.177 56.549 56.400 -0.046 0.000 0.940 187 E CB -0.237 29.421 29.700 -0.071 0.000 0.945 187 E HN 0.122 nan 8.360 nan 0.000 0.477 188 L N 1.507 122.656 121.223 -0.123 0.000 2.081 188 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 188 L C -0.596 176.175 176.870 -0.164 0.000 1.080 188 L CA 1.394 56.112 54.840 -0.203 0.000 0.754 188 L CB -1.460 40.451 42.059 -0.247 0.000 0.893 188 L HN 0.103 nan 8.230 nan 0.000 0.433 189 P HA -0.189 nan 4.420 nan 0.000 0.219 189 P C 1.276 178.591 177.300 0.025 0.000 1.146 189 P CA 1.136 64.298 63.100 0.104 0.000 0.808 189 P CB -0.031 31.757 31.700 0.146 0.000 0.779 190 Q N -1.103 118.683 119.800 -0.023 0.000 2.439 190 Q HA -0.012 4.328 4.340 -0.000 0.000 0.211 190 Q C 1.295 177.249 176.000 -0.076 0.000 0.978 190 Q CA 1.151 56.931 55.803 -0.037 0.000 0.897 190 Q CB -0.273 28.439 28.738 -0.043 0.000 0.956 190 Q HN 0.199 nan 8.270 nan 0.000 0.483 191 A N 0.270 123.005 122.820 -0.141 0.000 2.606 191 A HA 0.137 4.457 4.320 -0.000 0.000 0.290 191 A C 1.603 179.052 177.584 -0.224 0.000 1.174 191 A CA 0.002 51.919 52.037 -0.201 0.000 0.958 191 A CB 0.153 18.978 19.000 -0.291 0.000 1.194 191 A HN 0.253 nan 8.150 nan 0.000 0.526 192 S N -0.666 114.968 115.700 -0.111 0.000 2.440 192 S HA -0.090 4.380 4.470 -0.000 0.000 0.238 192 S C 1.868 176.599 174.600 0.218 0.000 1.010 192 S CA 1.569 59.804 58.200 0.059 0.000 0.972 192 S CB -0.641 62.796 63.200 0.395 0.000 0.774 192 S HN 0.694 nan 8.310 nan 0.000 0.501 193 G N 2.084 110.937 108.800 0.088 0.000 2.433 193 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 193 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 193 G C 1.314 176.214 174.900 -0.000 0.000 1.186 193 G CA 0.981 46.154 45.100 0.122 0.000 0.779 193 G HN 0.484 nan 8.290 nan 0.000 0.543 194 L N 0.758 121.780 121.223 -0.335 0.000 1.989 194 L HA 0.013 4.353 4.340 -0.000 0.000 0.211 194 L C 2.786 179.428 176.870 -0.380 0.000 1.071 194 L CA 1.529 55.925 54.840 -0.740 0.000 0.749 194 L CB -0.689 40.840 42.059 -0.883 0.000 0.890 194 L HN 0.241 nan 8.230 nan 0.000 0.431 195 L N -1.299 119.733 121.223 -0.317 0.000 2.079 195 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 195 L C 2.521 179.340 176.870 -0.085 0.000 1.081 195 L CA 1.434 56.109 54.840 -0.275 0.000 0.752 195 L CB -0.871 40.841 42.059 -0.579 0.000 0.896 195 L HN 0.399 nan 8.230 nan 0.000 0.433 196 H N -1.970 117.112 119.070 0.021 0.000 2.387 196 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 196 H C 2.307 177.630 175.328 -0.008 0.000 1.090 196 H CA 1.674 57.766 56.048 0.074 0.000 1.332 196 H CB -0.049 29.777 29.762 0.106 0.000 1.386 196 H HN 0.332 nan 8.280 nan 0.000 0.516 197 H N -0.544 118.509 119.070 -0.028 0.000 2.428 197 H HA -0.084 4.472 4.556 -0.000 0.000 0.296 197 H C 1.751 176.970 175.328 -0.182 0.000 1.062 197 H CA 1.521 57.516 56.048 -0.089 0.000 1.350 197 H CB 0.238 29.952 29.762 -0.080 0.000 1.403 197 H HN 0.583 nan 8.280 nan 0.000 0.533 198 C N -1.707 117.438 119.300 -0.259 0.000 2.935 198 C HA 0.359 4.819 4.460 -0.000 0.000 0.308 198 C C 1.678 176.523 174.990 -0.242 0.000 1.263 198 C CA -0.136 58.715 59.018 -0.278 0.000 1.738 198 C CB -0.604 27.049 27.740 -0.144 0.000 2.237 198 C HN 0.570 nan 8.230 nan 0.000 0.600 199 C N -0.768 118.398 119.300 -0.223 0.000 3.722 199 C HA 0.464 4.924 4.460 -0.000 0.000 0.279 199 C C 0.305 175.493 174.990 0.330 0.000 1.819 199 C CA -0.536 58.573 59.018 0.152 0.000 1.744 199 C CB -2.060 25.740 27.740 0.100 0.000 3.247 199 C HN 0.557 nan 8.230 nan 0.000 0.549 200 F N -0.871 119.155 119.950 0.126 0.000 3.090 200 F HA -0.243 4.284 4.527 -0.000 0.000 0.282 200 F C 0.532 176.361 175.800 0.047 0.000 0.923 200 F CA 0.404 58.444 58.000 0.066 0.000 0.977 200 F CB -2.459 36.554 39.000 0.021 0.000 0.954 200 F HN 0.481 nan 8.300 nan 0.000 0.695 201 Y N 1.354 121.603 120.300 -0.085 0.000 2.597 201 Y HA 0.446 4.996 4.550 -0.000 0.000 0.336 201 Y C 0.346 176.038 175.900 -0.346 0.000 1.216 201 Y CA 0.405 58.376 58.100 -0.214 0.000 1.463 201 Y CB 0.319 38.571 38.460 -0.347 0.000 1.303 201 Y HN 0.347 nan 8.280 nan 0.000 0.576 207 N N 1.786 120.498 118.700 0.021 0.000 2.235 207 N HA 0.286 5.026 4.740 -0.000 0.000 0.209 207 N C 0.052 175.674 175.510 0.188 0.000 1.122 207 N CA 0.192 53.292 53.050 0.083 0.000 0.845 207 N CB 0.514 39.063 38.487 0.104 0.000 1.004 207 N HN 0.577 nan 8.380 nan 0.000 0.499 208 L N 0.533 121.869 121.223 0.189 0.000 2.341 208 L HA 0.654 4.994 4.340 -0.000 0.000 0.267 208 L C -0.397 176.605 176.870 0.221 0.000 1.009 208 L CA -1.365 53.630 54.840 0.259 0.000 0.819 208 L CB 2.240 44.521 42.059 0.369 0.000 1.323 208 L HN -0.107 nan 8.230 nan 0.000 0.425 209 V N -1.991 118.030 119.914 0.178 0.000 3.078 209 V HA 0.805 4.925 4.120 -0.000 0.000 0.311 209 V C -0.267 175.941 176.094 0.190 0.000 1.138 209 V CA -0.601 61.750 62.300 0.085 0.000 1.007 209 V CB 1.760 33.399 31.823 -0.305 0.000 1.045 209 V HN 0.854 nan 8.190 nan 0.000 0.432 210 T N 0.631 115.317 114.554 0.220 0.000 2.925 210 T HA 0.780 5.130 4.350 -0.000 0.000 0.285 210 T C -0.544 174.397 174.700 0.401 0.000 1.021 210 T CA -0.632 61.674 62.100 0.342 0.000 1.042 210 T CB 1.843 70.869 68.868 0.263 0.000 1.037 210 T HN 1.071 nan 8.240 nan 0.000 0.481 211 M N 2.366 122.344 119.600 0.630 0.000 2.327 211 M HA 0.385 4.865 4.480 -0.000 0.000 0.298 211 M C -0.002 176.629 176.300 0.552 0.000 1.065 211 M CA -0.560 55.083 55.300 0.572 0.000 0.916 211 M CB 2.274 35.217 32.600 0.572 0.000 1.630 211 M HN 0.964 nan 8.290 nan 0.000 0.442 212 T N 2.223 117.040 114.554 0.438 0.000 2.748 212 T HA 0.454 4.804 4.350 -0.000 0.000 0.304 212 T C 0.075 174.889 174.700 0.190 0.000 1.041 212 T CA 0.279 62.462 62.100 0.138 0.000 1.033 212 T CB 0.473 69.587 68.868 0.410 0.000 0.995 212 T HN 0.869 nan 8.240 nan 0.000 0.536 213 T N -0.652 113.935 114.554 0.056 0.000 2.742 213 T HA 0.867 5.217 4.350 -0.000 0.000 0.282 213 T C -0.823 173.963 174.700 0.143 0.000 1.025 213 T CA -0.423 61.736 62.100 0.097 0.000 1.020 213 T CB 1.474 70.320 68.868 -0.037 0.000 1.317 213 T HN 1.079 nan 8.240 nan 0.000 0.538 214 A N 0.598 123.398 122.820 -0.034 0.000 2.601 214 A HA 0.855 5.175 4.320 -0.000 0.000 0.291 214 A C -3.143 174.409 177.584 -0.054 0.000 1.075 214 A CA -1.501 50.578 52.037 0.070 0.000 0.671 214 A CB 0.728 19.899 19.000 0.284 0.000 1.277 214 A HN 0.731 nan 8.150 nan 0.000 0.417 215 P HA 0.333 nan 4.420 nan 0.000 0.286 215 P C -0.886 176.511 177.300 0.162 0.000 1.293 215 P CA -0.195 62.942 63.100 0.061 0.000 0.770 215 P CB 0.487 32.123 31.700 -0.107 0.000 1.206 216 R N 0.163 120.798 120.500 0.225 0.000 3.050 216 R HA 0.601 4.940 4.340 -0.000 0.000 0.275 216 R C 0.522 176.936 176.300 0.190 0.000 1.373 216 R CA -0.298 55.901 56.100 0.166 0.000 1.612 216 R CB 0.134 30.484 30.300 0.083 0.000 1.218 216 R HN 0.863 nan 8.270 nan 0.000 0.621 217 G N 0.290 109.235 108.800 0.242 0.000 2.270 217 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.268 217 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.268 217 G C -0.328 174.649 174.900 0.129 0.000 1.312 217 G CA -0.927 44.229 45.100 0.093 0.000 1.050 217 G HN 0.272 nan 8.290 nan 0.000 0.474 218 L N 0.242 121.289 121.223 -0.294 0.000 3.086 218 L HA 0.543 4.883 4.340 -0.000 0.000 0.274 218 L C 0.349 176.539 176.870 -1.133 0.000 1.184 218 L CA 0.263 54.903 54.840 -0.334 0.000 1.002 218 L CB 0.929 42.879 42.059 -0.181 0.000 1.383 218 L HN 0.719 nan 8.230 nan 0.000 0.582 219 Q N -0.175 118.370 119.800 -2.093 0.000 2.545 219 Q HA 0.205 4.545 4.340 -0.000 0.000 0.273 219 Q C -1.078 174.158 176.000 -1.273 0.000 0.975 219 Q CA -0.300 54.542 55.803 -1.601 0.000 0.876 219 Q CB 2.127 30.424 28.738 -0.736 0.000 1.472 219 Q HN -0.021 nan 8.270 nan 0.000 0.389 220 S N 0.831 116.198 115.700 -0.556 0.000 2.537 220 S HA 0.459 4.928 4.470 -0.000 0.000 0.286 220 S C 1.027 175.447 174.600 -0.301 0.000 1.299 220 S CA 1.852 60.015 58.200 -0.062 0.000 1.067 220 S CB 0.010 63.280 63.200 0.117 0.000 0.864 220 S HN 1.205 nan 8.310 nan 0.000 0.494 221 G N 4.486 112.957 108.800 -0.548 0.000 2.308 221 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.221 221 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.221 221 G C -0.196 174.379 174.900 -0.543 0.000 1.032 221 G CA 0.049 44.550 45.100 -0.999 0.000 0.623 221 G HN 0.697 nan 8.290 nan 0.000 0.506 222 D N 0.266 120.456 120.400 -0.349 0.000 2.400 222 D HA 0.483 5.123 4.640 -0.000 0.000 0.238 222 D C 1.045 177.255 176.300 -0.151 0.000 1.157 222 D CA 0.372 54.225 54.000 -0.246 0.000 0.889 222 D CB 0.720 41.352 40.800 -0.280 0.000 1.199 222 D HN 0.456 nan 8.370 nan 0.000 0.436 223 R N 0.356 120.723 120.500 -0.221 0.000 2.583 223 R HA 0.456 4.796 4.340 -0.000 0.000 0.282 223 R C -1.451 174.536 176.300 -0.522 0.000 1.288 223 R CA -0.315 55.575 56.100 -0.349 0.000 1.415 223 R CB 0.278 30.327 30.300 -0.419 0.000 1.331 223 R HN 0.392 nan 8.270 nan 0.000 0.719 224 A N 0.731 123.386 122.820 -0.274 0.000 2.288 224 A HA 0.627 4.947 4.320 -0.000 0.000 0.320 224 A C -0.568 176.958 177.584 -0.098 0.000 1.217 224 A CA -0.320 51.590 52.037 -0.212 0.000 0.840 224 A CB 1.448 20.331 19.000 -0.195 0.000 1.179 224 A HN 0.257 nan 8.150 nan 0.000 0.504 225 T N 2.310 116.868 114.554 0.006 0.000 2.841 225 T HA 0.369 4.719 4.350 -0.000 0.000 0.285 225 T C -0.774 173.889 174.700 -0.062 0.000 0.991 225 T CA -0.041 62.068 62.100 0.016 0.000 0.966 225 T CB 0.444 69.363 68.868 0.085 0.000 0.962 225 T HN 0.603 nan 8.240 nan 0.000 0.438 226 W N 2.924 124.187 121.300 -0.062 0.000 2.253 226 W HA 0.496 5.156 4.660 -0.000 0.000 0.322 226 W C -0.439 175.996 176.519 -0.140 0.000 1.342 226 W CA -0.483 56.859 57.345 -0.004 0.000 1.218 226 W CB 0.329 29.787 29.460 -0.003 0.000 1.205 226 W HN 0.518 nan 8.180 nan 0.000 0.551 227 F N 2.414 122.601 119.950 0.394 0.000 2.493 227 F HA 0.535 5.062 4.527 -0.000 0.000 0.329 227 F C 0.908 176.889 175.800 0.302 0.000 1.126 227 F CA -0.915 57.277 58.000 0.320 0.000 0.937 227 F CB 1.253 40.385 39.000 0.221 0.000 1.146 227 F HN 0.313 nan 8.300 nan 0.000 0.442 228 G N 3.306 112.391 108.800 0.475 0.000 2.476 228 G HA2 0.578 4.538 3.960 -0.000 0.000 0.286 228 G HA3 0.578 4.538 3.960 -0.000 0.000 0.286 228 G C -1.317 173.648 174.900 0.108 0.000 1.177 228 G CA -0.498 44.765 45.100 0.272 0.000 0.870 228 G HN 0.417 nan 8.290 nan 0.000 0.528 229 L N 0.836 121.852 121.223 -0.344 0.000 2.356 229 L HA 0.519 4.859 4.340 -0.000 0.000 0.277 229 L C -1.104 175.463 176.870 -0.504 0.000 0.996 229 L CA -0.703 53.992 54.840 -0.242 0.000 0.822 229 L CB 1.284 43.225 42.059 -0.196 0.000 1.256 229 L HN 0.561 nan 8.230 nan 0.000 0.413 230 Y N 1.403 121.688 120.300 -0.026 0.000 2.545 230 Y HA 0.431 4.981 4.550 -0.000 0.000 0.348 230 Y C -0.380 175.525 175.900 0.008 0.000 1.002 230 Y CA -1.066 57.039 58.100 0.008 0.000 1.039 230 Y CB 1.585 40.197 38.460 0.253 0.000 1.271 230 Y HN 0.278 nan 8.280 nan 0.000 0.467 231 Y N 1.234 121.717 120.300 0.304 0.000 2.620 231 Y HA -0.035 4.515 4.550 -0.000 0.000 0.330 231 Y C 0.905 176.888 175.900 0.138 0.000 1.186 231 Y CA -0.522 57.697 58.100 0.198 0.000 1.467 231 Y CB 0.082 38.654 38.460 0.186 0.000 1.262 231 Y HN 0.498 nan 8.280 nan 0.000 0.550 232 N N 4.361 123.195 118.700 0.223 0.000 2.892 232 N HA -0.008 4.732 4.740 -0.000 0.000 0.300 232 N C -0.524 175.041 175.510 0.092 0.000 1.211 232 N CA 0.029 53.118 53.050 0.065 0.000 1.158 232 N CB -0.529 37.956 38.487 -0.003 0.000 1.455 232 N HN 0.389 nan 8.380 nan 0.000 0.524 233 I N 0.546 121.206 120.570 0.149 0.000 2.813 233 I HA -0.072 4.098 4.170 -0.000 0.000 0.287 233 I C 0.855 177.025 176.117 0.088 0.000 1.196 233 I CA 0.210 61.583 61.300 0.121 0.000 1.421 233 I CB 0.495 38.587 38.000 0.154 0.000 1.365 233 I HN 0.299 nan 8.210 nan 0.000 0.591 234 S N 3.303 119.045 115.700 0.069 0.000 2.433 234 S HA 0.539 5.009 4.470 -0.000 0.000 0.310 234 S C 0.660 175.299 174.600 0.065 0.000 1.097 234 S CA 0.182 58.409 58.200 0.046 0.000 1.103 234 S CB 0.690 63.899 63.200 0.014 0.000 0.992 234 S HN 1.048 nan 8.310 nan 0.000 0.469 235 G N 2.853 111.690 108.800 0.062 0.000 2.160 235 G HA2 0.071 4.031 3.960 -0.000 0.000 0.251 235 G HA3 0.071 4.031 3.960 -0.000 0.000 0.251 235 G C 0.122 175.098 174.900 0.126 0.000 1.008 235 G CA 0.141 45.286 45.100 0.076 0.000 0.724 235 G HN 1.487 nan 8.290 nan 0.000 0.514 236 A N -1.720 121.183 122.820 0.139 0.000 2.601 236 A HA 0.904 5.224 4.320 -0.000 0.000 0.291 236 A C 0.334 177.950 177.584 0.053 0.000 1.075 236 A CA 0.404 52.551 52.037 0.183 0.000 0.671 236 A CB 0.317 19.454 19.000 0.228 0.000 1.277 236 A HN 1.910 nan 8.150 nan 0.000 0.417 237 G N -0.165 108.524 108.800 -0.184 0.000 2.343 237 G HA2 0.428 4.388 3.960 -0.000 0.000 0.254 237 G HA3 0.428 4.388 3.960 -0.000 0.000 0.254 237 G C 0.432 175.029 174.900 -0.505 0.000 1.277 237 G CA 0.394 45.002 45.100 -0.821 0.000 0.909 237 G HN 1.411 nan 8.290 nan 0.000 0.502 238 F N 1.136 120.712 119.950 -0.624 0.000 2.615 238 F HA 0.206 4.733 4.527 -0.000 0.000 0.297 238 F C 1.602 177.149 175.800 -0.422 0.000 1.124 238 F CA -0.392 57.394 58.000 -0.356 0.000 1.451 238 F CB -0.451 38.319 39.000 -0.383 0.000 1.103 238 F HN 0.337 nan 8.300 nan 0.000 0.569 239 F N 1.451 120.824 119.950 -0.961 0.000 2.307 239 F HA -0.093 4.434 4.527 -0.000 0.000 0.301 239 F C 1.641 177.270 175.800 -0.284 0.000 1.076 239 F CA 0.913 58.447 58.000 -0.776 0.000 1.383 239 F CB -0.945 37.595 39.000 -0.765 0.000 1.055 239 F HN 0.058 nan 8.300 nan 0.000 0.526 240 L N -0.107 120.978 121.223 -0.230 0.000 2.653 240 L HA 0.077 4.417 4.340 -0.000 0.000 0.232 240 L C 0.134 176.632 176.870 -0.621 0.000 1.169 240 L CA 0.255 54.856 54.840 -0.398 0.000 0.951 240 L CB -0.424 41.293 42.059 -0.570 0.000 1.181 240 L HN 0.249 nan 8.230 nan 0.000 0.460 241 H N -1.518 117.703 119.070 0.252 0.000 2.825 241 H HA 0.174 4.730 4.556 -0.000 0.000 0.226 241 H C -0.313 175.248 175.328 0.388 0.000 1.414 241 H CA -0.370 55.855 56.048 0.295 0.000 1.198 241 H CB 0.164 30.085 29.762 0.266 0.000 2.013 241 H HN 0.159 nan 8.280 nan 0.000 0.530 242 H N 2.076 121.343 119.070 0.329 0.000 3.004 242 H HA 0.022 4.578 4.556 -0.000 0.000 0.316 242 H C 1.261 176.531 175.328 -0.096 0.000 1.014 242 H CA 0.335 56.325 56.048 -0.095 0.000 1.454 242 H CB 1.368 31.103 29.762 -0.044 0.000 1.472 242 H HN 0.276 nan 8.280 nan 0.000 0.571 243 V N 2.128 121.716 119.914 -0.543 0.000 3.461 243 V HA 0.206 4.326 4.120 -0.000 0.000 0.267 243 V C 1.373 177.168 176.094 -0.498 0.000 1.186 243 V CA 0.834 62.849 62.300 -0.475 0.000 1.154 243 V CB 0.066 31.569 31.823 -0.533 0.000 0.802 243 V HN 1.006 nan 8.190 nan 0.000 0.474 244 G N 0.027 108.485 108.800 -0.570 0.000 2.163 244 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.213 244 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.213 244 G C -0.519 174.236 174.900 -0.243 0.000 0.991 244 G CA 0.092 44.967 45.100 -0.375 0.000 0.653 244 G HN 0.805 nan 8.290 nan 0.000 0.518 245 L N 0.913 121.982 121.223 -0.257 0.000 2.385 245 L HA 0.876 5.216 4.340 -0.000 0.000 0.273 245 L C -0.517 176.389 176.870 0.060 0.000 0.990 245 L CA -0.880 53.980 54.840 0.032 0.000 0.821 245 L CB 1.497 43.580 42.059 0.040 0.000 1.279 245 L HN 0.223 nan 8.230 nan 0.000 0.412 246 E N 5.454 125.830 120.200 0.293 0.000 2.317 246 E HA 0.652 5.002 4.350 -0.000 0.000 0.270 246 E C -1.546 175.392 176.600 0.564 0.000 0.885 246 E CA -0.793 55.855 56.400 0.414 0.000 0.760 246 E CB 2.634 32.571 29.700 0.395 0.000 1.227 246 E HN 0.486 nan 8.360 nan 0.000 0.434 247 L N 2.347 123.877 121.223 0.511 0.000 2.381 247 L HA 0.377 4.716 4.340 -0.000 0.000 0.274 247 L C -1.010 175.893 176.870 0.055 0.000 0.988 247 L CA -1.081 53.923 54.840 0.274 0.000 0.824 247 L CB 1.502 43.641 42.059 0.133 0.000 1.263 247 L HN 0.320 nan 8.230 nan 0.000 0.410 248 L N 4.855 125.801 121.223 -0.461 0.000 2.334 248 L HA 0.319 4.659 4.340 -0.000 0.000 0.286 248 L C -0.315 176.384 176.870 -0.285 0.000 1.108 248 L CA 0.044 54.399 54.840 -0.808 0.000 0.875 248 L CB 0.851 42.082 42.059 -1.381 0.000 1.246 248 L HN 0.297 nan 8.230 nan 0.000 0.439 249 V N 4.914 124.801 119.914 -0.044 0.000 2.432 249 V HA 0.248 4.368 4.120 -0.000 0.000 0.271 249 V C 0.419 176.522 176.094 0.016 0.000 1.046 249 V CA -0.616 61.712 62.300 0.047 0.000 0.945 249 V CB 1.086 33.014 31.823 0.174 0.000 0.992 249 V HN 0.733 nan 8.190 nan 0.000 0.471 250 N N 4.109 122.773 118.700 -0.060 0.000 2.469 250 N HA 0.162 4.901 4.740 -0.000 0.000 0.239 250 N C 0.174 175.525 175.510 -0.265 0.000 1.053 250 N CA -0.430 52.529 53.050 -0.151 0.000 0.937 250 N CB 0.353 38.776 38.487 -0.106 0.000 1.163 250 N HN 0.850 nan 8.380 nan 0.000 0.509 251 H N 0.958 119.680 119.070 -0.580 0.000 2.481 251 H HA 0.328 4.884 4.556 -0.000 0.000 0.273 251 H C 1.071 176.013 175.328 -0.644 0.000 1.145 251 H CA -0.606 54.623 56.048 -1.365 0.000 0.964 251 H CB 0.581 29.249 29.762 -1.822 0.000 1.722 251 H HN 0.383 nan 8.280 nan 0.000 0.573 252 K N 1.107 121.299 120.400 -0.348 0.000 2.103 252 K HA 0.152 4.472 4.320 -0.000 0.000 0.204 252 K C 0.922 177.614 176.600 0.153 0.000 1.052 252 K CA 0.583 56.805 56.287 -0.109 0.000 0.945 252 K CB -0.039 32.400 32.500 -0.102 0.000 0.722 252 K HN 0.432 nan 8.250 nan 0.000 0.443 253 A N 1.330 124.328 122.820 0.297 0.000 2.561 253 A HA 0.007 4.327 4.320 -0.000 0.000 0.234 253 A C 1.015 178.866 177.584 0.446 0.000 1.055 253 A CA 0.058 52.306 52.037 0.352 0.000 0.756 253 A CB 0.084 19.293 19.000 0.347 0.000 0.986 253 A HN 0.407 nan 8.150 nan 0.000 0.505 254 L N 0.571 121.944 121.223 0.251 0.000 2.275 254 L HA -0.064 4.276 4.340 -0.000 0.000 0.215 254 L C 0.682 177.611 176.870 0.099 0.000 1.119 254 L CA 0.912 55.877 54.840 0.209 0.000 0.790 254 L CB -0.173 41.958 42.059 0.120 0.000 0.919 254 L HN 0.745 nan 8.230 nan 0.000 0.443 255 D N -0.379 120.029 120.400 0.014 0.000 2.412 255 D HA 0.158 4.798 4.640 -0.000 0.000 0.224 255 D C -1.721 174.308 176.300 -0.451 0.000 1.093 255 D CA -2.453 51.458 54.000 -0.149 0.000 0.850 255 D CB 1.541 42.291 40.800 -0.084 0.000 1.046 255 D HN -0.210 nan 8.370 nan 0.000 0.507 256 P HA -0.210 nan 4.420 nan 0.000 0.217 256 P C 1.093 177.921 177.300 -0.786 0.000 1.148 256 P CA 1.601 63.707 63.100 -1.656 0.000 0.834 256 P CB 0.189 31.132 31.700 -1.262 0.000 0.783 257 A N -0.031 122.552 122.820 -0.395 0.000 1.917 257 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 257 A C 2.188 179.718 177.584 -0.090 0.000 1.182 257 A CA 1.807 53.736 52.037 -0.180 0.000 0.633 257 A CB -1.153 17.776 19.000 -0.118 0.000 0.819 257 A HN 0.156 nan 8.150 nan 0.000 0.448 258 R N -1.923 118.531 120.500 -0.076 0.000 2.307 258 R HA -0.047 4.293 4.340 -0.000 0.000 0.199 258 R C -0.413 176.013 176.300 0.210 0.000 1.000 258 R CA -0.128 56.005 56.100 0.055 0.000 1.023 258 R CB -0.007 30.332 30.300 0.066 0.000 0.908 258 R HN 0.589 nan 8.270 nan 0.000 0.473 259 W N 1.937 123.255 121.300 0.030 0.000 2.223 259 W HA 0.048 4.708 4.660 -0.000 0.000 0.334 259 W C 0.980 177.512 176.519 0.021 0.000 1.334 259 W CA -0.354 57.014 57.345 0.039 0.000 1.246 259 W CB 0.016 29.513 29.460 0.061 0.000 1.184 259 W HN -0.025 nan 8.180 nan 0.000 0.563 260 T N 0.159 114.845 114.554 0.221 0.000 2.864 260 T HA 0.764 5.114 4.350 -0.000 0.000 0.289 260 T C -0.756 173.977 174.700 0.055 0.000 1.082 260 T CA -0.972 61.194 62.100 0.110 0.000 1.009 260 T CB 1.762 70.671 68.868 0.069 0.000 1.234 260 T HN 0.214 nan 8.240 nan 0.000 0.526 261 I N 2.170 122.755 120.570 0.025 0.000 2.359 261 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 261 I C 1.277 177.378 176.117 -0.027 0.000 1.018 261 I CA -0.638 60.656 61.300 -0.011 0.000 1.173 261 I CB 1.705 39.703 38.000 -0.004 0.000 1.326 261 I HN 0.786 nan 8.210 nan 0.000 0.462 262 Q N 3.985 123.741 119.800 -0.074 0.000 2.230 262 Q HA 0.079 4.419 4.340 -0.000 0.000 0.202 262 Q C 0.111 176.089 176.000 -0.036 0.000 0.963 262 Q CA 0.925 56.687 55.803 -0.068 0.000 0.866 262 Q CB 0.450 29.119 28.738 -0.114 0.000 0.931 262 Q HN 0.409 nan 8.270 nan 0.000 0.452 263 K N -0.354 120.008 120.400 -0.063 0.000 2.597 263 K HA 0.454 4.774 4.320 -0.000 0.000 0.282 263 K C -1.650 175.050 176.600 0.165 0.000 0.975 263 K CA -0.514 55.827 56.287 0.090 0.000 0.867 263 K CB 2.604 35.223 32.500 0.199 0.000 1.465 263 K HN -0.221 nan 8.250 nan 0.000 0.417 264 V N 1.977 122.113 119.914 0.371 0.000 2.709 264 V HA 0.526 4.646 4.120 -0.000 0.000 0.308 264 V C -1.161 175.259 176.094 0.542 0.000 1.062 264 V CA -0.915 61.634 62.300 0.416 0.000 0.901 264 V CB 1.854 33.843 31.823 0.276 0.000 1.003 264 V HN 0.690 nan 8.190 nan 0.000 0.425 265 F N 4.984 125.136 119.950 0.337 0.000 2.507 265 F HA 0.742 5.269 4.527 -0.000 0.000 0.325 265 F C -1.326 174.554 175.800 0.133 0.000 1.116 265 F CA -0.724 57.307 58.000 0.051 0.000 0.930 265 F CB 1.577 40.431 39.000 -0.243 0.000 1.146 265 F HN 0.522 nan 8.300 nan 0.000 0.447 266 Y N 5.237 125.203 120.300 -0.556 0.000 2.354 266 Y HA 0.262 4.812 4.550 -0.000 0.000 0.330 266 Y C -0.142 175.384 175.900 -0.624 0.000 1.011 266 Y CA -1.020 56.846 58.100 -0.390 0.000 1.099 266 Y CB 1.328 39.683 38.460 -0.176 0.000 1.179 266 Y HN 0.749 nan 8.280 nan 0.000 0.442 267 Q N 4.708 123.869 119.800 -1.064 0.000 2.388 267 Q HA -0.282 4.058 4.340 -0.000 0.000 0.346 267 Q C 1.033 176.544 176.000 -0.816 0.000 1.319 267 Q CA 1.495 56.802 55.803 -0.827 0.000 1.023 267 Q CB -1.370 26.708 28.738 -1.100 0.000 1.247 267 Q HN 1.310 nan 8.270 nan 0.000 0.411 268 G N -0.704 107.316 108.800 -1.300 0.000 2.213 268 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.226 268 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.226 268 G C 0.018 174.279 174.900 -1.065 0.000 0.992 268 G CA 0.071 44.227 45.100 -1.573 0.000 0.632 268 G HN 0.312 nan 8.290 nan 0.000 0.511 269 R N -0.707 119.087 120.500 -1.177 0.000 2.750 269 R HA 0.619 4.959 4.340 -0.000 0.000 0.281 269 R C -1.215 174.509 176.300 -0.961 0.000 0.972 269 R CA -0.809 54.827 56.100 -0.773 0.000 0.912 269 R CB 1.428 31.443 30.300 -0.475 0.000 1.187 269 R HN 0.122 nan 8.270 nan 0.000 0.464 270 Y N 0.979 120.936 120.300 -0.571 0.000 2.334 270 Y HA 0.370 4.920 4.550 -0.000 0.000 0.328 270 Y C -0.457 175.034 175.900 -0.681 0.000 1.130 270 Y CA -0.011 57.918 58.100 -0.285 0.000 1.163 270 Y CB 1.122 39.595 38.460 0.021 0.000 1.207 270 Y HN 0.389 nan 8.280 nan 0.000 0.471 271 Y N 0.415 120.882 120.300 0.279 0.000 2.534 271 Y HA 0.218 4.768 4.550 -0.000 0.000 0.345 271 Y C 0.459 176.455 175.900 0.160 0.000 1.031 271 Y CA -1.383 56.814 58.100 0.160 0.000 1.022 271 Y CB 1.431 39.937 38.460 0.077 0.000 1.292 271 Y HN 0.542 nan 8.280 nan 0.000 0.459 272 D N 0.489 121.050 120.400 0.268 0.000 2.097 272 D HA -0.043 4.597 4.640 -0.000 0.000 0.197 272 D C 0.186 176.561 176.300 0.125 0.000 0.984 272 D CA 1.522 55.617 54.000 0.160 0.000 0.826 272 D CB 0.133 40.999 40.800 0.111 0.000 0.973 272 D HN 0.458 nan 8.370 nan 0.000 0.460 273 S N -1.194 114.573 115.700 0.112 0.000 2.667 273 S HA 0.452 4.922 4.470 -0.000 0.000 0.292 273 S C 0.913 175.526 174.600 0.020 0.000 1.126 273 S CA -0.798 57.433 58.200 0.052 0.000 0.881 273 S CB 1.767 64.982 63.200 0.025 0.000 1.132 273 S HN -0.049 nan 8.310 nan 0.000 0.492 274 L N 0.931 122.141 121.223 -0.021 0.000 2.156 274 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 274 L C 2.861 179.671 176.870 -0.098 0.000 1.095 274 L CA 1.434 56.223 54.840 -0.084 0.000 0.770 274 L CB -0.817 41.185 42.059 -0.094 0.000 0.914 274 L HN 0.969 nan 8.230 nan 0.000 0.439 275 A N -0.701 122.084 122.820 -0.057 0.000 1.892 275 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 275 A C 2.309 179.855 177.584 -0.064 0.000 1.188 275 A CA 1.794 53.802 52.037 -0.049 0.000 0.631 275 A CB -0.506 nan 19.000 nan 0.000 0.822 275 A HN 0.387 nan 8.150 nan 0.000 0.447 276 Q N -1.119 118.648 119.800 -0.055 0.000 2.079 276 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 276 Q C 2.133 178.006 176.000 -0.210 0.000 0.974 276 Q CA 1.474 57.240 55.803 -0.061 0.000 0.840 276 Q CB -0.523 28.238 28.738 0.039 0.000 0.898 276 Q HN 0.577 nan 8.270 nan 0.000 0.430 277 L N 1.411 122.425 121.223 -0.349 0.000 1.990 277 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 277 L C 2.246 178.908 176.870 -0.347 0.000 1.072 277 L CA 2.420 56.885 54.840 -0.625 0.000 0.755 277 L CB -0.880 40.849 42.059 -0.550 0.000 0.889 277 L HN 0.148 nan 8.230 nan 0.000 0.432 278 E N -0.353 119.724 120.200 -0.205 0.000 2.047 278 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 278 E C 2.086 178.679 176.600 -0.012 0.000 0.987 278 E CA 1.539 57.899 56.400 -0.066 0.000 0.799 278 E CB -0.491 29.174 29.700 -0.058 0.000 0.752 278 E HN 0.537 nan 8.360 nan 0.000 0.449 279 A N 0.786 123.571 122.820 -0.058 0.000 1.869 279 A HA -0.339 3.981 4.320 -0.000 0.000 0.218 279 A C 2.233 179.783 177.584 -0.058 0.000 1.203 279 A CA 2.265 54.271 52.037 -0.053 0.000 0.638 279 A CB -0.964 18.010 19.000 -0.044 0.000 0.831 279 A HN 0.434 nan 8.150 nan 0.000 0.450 280 Q N -1.995 117.762 119.800 -0.071 0.000 2.135 280 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 280 Q C 1.965 177.956 176.000 -0.016 0.000 0.981 280 Q CA 1.719 57.493 55.803 -0.048 0.000 0.856 280 Q CB -0.366 28.334 28.738 -0.063 0.000 0.902 280 Q HN 0.783 nan 8.270 nan 0.000 0.425 281 F N 1.973 121.818 119.950 -0.176 0.000 2.095 281 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 281 F C 1.717 177.447 175.800 -0.117 0.000 1.104 281 F CA 1.769 59.678 58.000 -0.152 0.000 1.232 281 F CB -0.178 38.703 39.000 -0.198 0.000 0.987 281 F HN 0.000 nan 8.300 nan 0.000 0.475 282 E N 0.115 120.116 120.200 -0.333 0.000 2.208 282 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 282 E C 2.010 178.448 176.600 -0.270 0.000 0.988 282 E CA 0.730 56.869 56.400 -0.434 0.000 0.828 282 E CB -0.343 29.212 29.700 -0.241 0.000 0.763 282 E HN 0.456 nan 8.360 nan 0.000 0.478 283 A N 0.443 123.166 122.820 -0.162 0.000 2.252 283 A HA 0.216 4.536 4.320 -0.000 0.000 0.207 283 A C 1.647 179.173 177.584 -0.097 0.000 1.194 283 A CA 0.764 52.738 52.037 -0.105 0.000 0.809 283 A CB -0.599 18.366 19.000 -0.057 0.000 0.814 283 A HN 0.325 nan 8.150 nan 0.000 0.482 284 G N -2.122 106.593 108.800 -0.142 0.000 2.148 284 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.254 284 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.254 284 G C 0.598 175.479 174.900 -0.032 0.000 0.981 284 G CA 0.646 45.685 45.100 -0.103 0.000 0.670 284 G HN 0.553 nan 8.290 nan 0.000 0.528 285 L N 0.431 121.653 121.223 -0.002 0.000 2.194 285 L HA 0.455 4.795 4.340 -0.000 0.000 0.197 285 L C 1.870 178.791 176.870 0.086 0.000 1.106 285 L CA 0.952 55.819 54.840 0.045 0.000 0.785 285 L CB -0.454 41.643 42.059 0.062 0.000 0.960 285 L HN 0.215 nan 8.230 nan 0.000 0.465 286 V N 3.002 122.987 119.914 0.118 0.000 2.555 286 V HA -0.110 4.010 4.120 -0.000 0.000 0.299 286 V C 0.439 176.656 176.094 0.205 0.000 1.012 286 V CA 0.360 62.759 62.300 0.165 0.000 1.180 286 V CB -1.176 30.731 31.823 0.140 0.000 0.887 286 V HN 0.479 nan 8.190 nan 0.000 0.476 287 N N 5.108 123.904 118.700 0.161 0.000 2.426 287 N HA 0.254 4.994 4.740 -0.000 0.000 0.257 287 N C -0.775 174.831 175.510 0.161 0.000 1.002 287 N CA -0.517 52.627 53.050 0.157 0.000 0.942 287 N CB 1.692 40.244 38.487 0.109 0.000 1.112 287 N HN 0.415 nan 8.380 nan 0.000 0.499 288 V N 3.635 123.671 119.914 0.205 0.000 2.498 288 V HA 0.211 4.331 4.120 -0.000 0.000 0.279 288 V C 0.381 176.517 176.094 0.070 0.000 1.048 288 V CA -0.653 61.747 62.300 0.167 0.000 0.967 288 V CB 1.412 33.389 31.823 0.257 0.000 0.988 288 V HN 0.348 nan 8.190 nan 0.000 0.473 289 V N 6.097 125.990 119.914 -0.036 0.000 2.394 289 V HA 0.342 4.462 4.120 -0.000 0.000 0.282 289 V C -0.059 175.957 176.094 -0.130 0.000 1.031 289 V CA -0.546 61.706 62.300 -0.079 0.000 0.881 289 V CB 1.525 33.300 31.823 -0.081 0.000 0.982 289 V HN 0.710 nan 8.190 nan 0.000 0.451 290 L N 5.952 127.120 121.223 -0.092 0.000 2.315 290 L HA 0.611 4.951 4.340 -0.000 0.000 0.283 290 L C 0.183 177.099 176.870 0.077 0.000 1.089 290 L CA 0.494 55.297 54.840 -0.062 0.000 0.833 290 L CB 0.577 42.578 42.059 -0.096 0.000 1.170 290 L HN 0.715 nan 8.230 nan 0.000 0.442 291 I N 5.571 126.239 120.570 0.164 0.000 2.342 291 I HA 0.618 4.788 4.170 -0.000 0.000 0.291 291 I C -2.162 174.317 176.117 0.603 0.000 1.010 291 I CA -2.220 59.306 61.300 0.377 0.000 1.308 291 I CB 0.088 38.279 38.000 0.317 0.000 1.400 291 I HN 0.545 nan 8.210 nan 0.000 0.488 292 P HA 0.247 nan 4.420 nan 0.000 0.270 292 P C -0.026 177.465 177.300 0.317 0.000 1.223 292 P CA 0.186 63.551 63.100 0.441 0.000 0.785 292 P CB 0.799 32.710 31.700 0.351 0.000 0.923 293 D N -0.361 119.906 120.400 -0.222 0.000 2.379 293 D HA 0.067 4.707 4.640 -0.000 0.000 0.208 293 D C -0.134 175.827 176.300 -0.565 0.000 1.065 293 D CA 0.580 54.116 54.000 -0.774 0.000 0.848 293 D CB -0.004 39.997 40.800 -1.332 0.000 0.949 293 D HN 0.271 nan 8.370 nan 0.000 0.509 294 N N -1.487 116.735 118.700 -0.797 0.000 3.171 294 N HA 0.505 5.245 4.740 -0.000 0.000 0.239 294 N C -0.646 173.802 175.510 -1.770 0.000 1.275 294 N CA 0.103 52.432 53.050 -1.201 0.000 0.920 294 N CB 1.052 39.146 38.487 -0.656 0.000 1.554 294 N HN 0.022 nan 8.380 nan 0.000 0.504 295 G N -0.506 107.203 108.800 -1.817 0.000 2.356 295 G HA2 0.507 4.467 3.960 -0.000 0.000 0.281 295 G HA3 0.507 4.467 3.960 -0.000 0.000 0.281 295 G C -1.715 172.721 174.900 -0.772 0.000 1.246 295 G CA 0.124 44.389 45.100 -1.392 0.000 0.889 295 G HN 1.143 nan 8.290 nan 0.000 0.486 296 T N -2.954 111.430 114.554 -0.285 0.000 2.868 296 T HA 0.924 5.274 4.350 -0.000 0.000 0.306 296 T C 0.381 175.257 174.700 0.294 0.000 1.224 296 T CA 0.387 62.532 62.100 0.075 0.000 1.012 296 T CB 1.562 70.433 68.868 0.005 0.000 1.221 296 T HN 2.776 nan 8.240 nan 0.000 0.499 297 G N -0.018 108.930 108.800 0.247 0.000 2.466 297 G HA2 0.307 4.267 3.960 -0.000 0.000 0.316 297 G HA3 0.307 4.267 3.960 -0.000 0.000 0.316 297 G C 0.693 175.730 174.900 0.229 0.000 1.270 297 G CA -0.036 45.194 45.100 0.217 0.000 0.982 297 G HN 1.584 nan 8.290 nan 0.000 0.506 298 G N -0.551 108.344 108.800 0.158 0.000 2.443 298 G HA2 0.143 4.102 3.960 -0.000 0.000 0.219 298 G HA3 0.143 4.102 3.960 -0.000 0.000 0.219 298 G C 2.032 177.004 174.900 0.121 0.000 1.131 298 G CA 2.112 47.285 45.100 0.122 0.000 0.775 298 G HN 1.325 nan 8.290 nan 0.000 0.547 299 S N -0.205 115.544 115.700 0.082 0.000 2.400 299 S HA -0.118 4.352 4.470 -0.000 0.000 0.232 299 S C 1.662 176.139 174.600 -0.206 0.000 1.025 299 S CA 1.285 59.406 58.200 -0.132 0.000 0.993 299 S CB -0.273 62.794 63.200 -0.222 0.000 0.808 299 S HN 0.734 nan 8.310 nan 0.000 0.478 300 W N 0.303 121.751 121.300 0.247 0.000 2.940 300 W HA 0.503 5.163 4.660 -0.000 0.000 0.297 300 W C 0.874 177.497 176.519 0.174 0.000 1.149 300 W CA -0.279 57.200 57.345 0.224 0.000 1.564 300 W CB 0.282 29.813 29.460 0.118 0.000 1.010 300 W HN 0.006 nan 8.180 nan 0.000 0.578 301 S N -0.294 115.602 115.700 0.326 0.000 2.618 301 S HA 0.501 4.971 4.470 -0.000 0.000 0.277 301 S C -0.145 174.569 174.600 0.190 0.000 1.138 301 S CA -0.574 57.769 58.200 0.238 0.000 0.844 301 S CB 1.026 64.341 63.200 0.191 0.000 1.127 301 S HN 0.009 nan 8.310 nan 0.000 0.474 302 L N 1.194 122.511 121.223 0.156 0.000 2.672 302 L HA 0.412 4.752 4.340 -0.000 0.000 0.236 302 L C 0.827 177.736 176.870 0.065 0.000 1.092 302 L CA 0.082 54.982 54.840 0.099 0.000 0.887 302 L CB 0.137 42.259 42.059 0.105 0.000 1.168 302 L HN 0.527 nan 8.230 nan 0.000 0.502 303 K N 1.281 121.723 120.400 0.071 0.000 2.339 303 K HA 0.095 4.415 4.320 -0.000 0.000 0.286 303 K C 0.196 176.820 176.600 0.040 0.000 1.050 303 K CA -0.010 56.305 56.287 0.046 0.000 0.956 303 K CB 1.032 33.558 32.500 0.044 0.000 0.990 303 K HN -0.120 nan 8.250 nan 0.000 0.475 304 S N 4.160 119.873 115.700 0.023 0.000 2.565 304 S HA 0.221 4.691 4.470 -0.000 0.000 0.276 304 S C -1.298 173.312 174.600 0.017 0.000 1.326 304 S CA -1.399 56.812 58.200 0.018 0.000 1.045 304 S CB 0.752 63.955 63.200 0.005 0.000 0.918 304 S HN 0.642 nan 8.310 nan 0.000 0.505 305 P HA 0.152 nan 4.420 nan 0.000 0.245 305 P C -0.507 176.797 177.300 0.007 0.000 1.212 305 P CA 0.149 63.258 63.100 0.015 0.000 0.774 305 P CB 0.029 31.740 31.700 0.020 0.000 0.999 306 V N 3.709 123.625 119.914 0.003 0.000 2.417 306 V HA 0.311 4.431 4.120 -0.000 0.000 0.291 306 V C -1.921 174.169 176.094 -0.007 0.000 1.024 306 V CA -1.744 60.554 62.300 -0.002 0.000 0.861 306 V CB 1.622 33.444 31.823 -0.003 0.000 0.985 306 V HN 0.063 nan 8.190 nan 0.000 0.436 307 P HA 0.365 nan 4.420 nan 0.000 0.274 307 P C -2.682 174.607 177.300 -0.017 0.000 1.237 307 P CA -1.461 61.631 63.100 -0.013 0.000 0.793 307 P CB -0.240 31.453 31.700 -0.012 0.000 0.977 308 P HA 0.135 nan 4.420 nan 0.000 0.262 308 P C 0.561 177.846 177.300 -0.025 0.000 1.182 308 P CA 0.473 63.557 63.100 -0.027 0.000 0.761 308 P CB 0.069 31.748 31.700 -0.034 0.000 0.795 309 G N 3.616 112.401 108.800 -0.025 0.000 2.583 309 G HA2 0.510 4.470 3.960 -0.000 0.000 0.280 309 G HA3 0.510 4.470 3.960 -0.000 0.000 0.280 309 G C -2.221 172.662 174.900 -0.029 0.000 1.376 309 G CA -0.942 44.144 45.100 -0.024 0.000 1.043 309 G HN 0.414 nan 8.290 nan 0.000 0.538 310 P HA 0.302 nan 4.420 nan 0.000 0.266 310 P C 0.031 177.310 177.300 -0.036 0.000 1.193 310 P CA -0.051 63.030 63.100 -0.032 0.000 0.770 310 P CB 0.403 32.085 31.700 -0.029 0.000 0.836 311 A N 4.857 127.651 122.820 -0.044 0.000 2.540 311 A HA 0.289 4.609 4.320 -0.000 0.000 0.239 311 A C -1.185 176.373 177.584 -0.043 0.000 1.061 311 A CA -0.700 51.307 52.037 -0.050 0.000 0.758 311 A CB -1.326 17.635 19.000 -0.065 0.000 0.991 311 A HN 0.525 nan 8.150 nan 0.000 0.502 312 P HA 0.396 nan 4.420 nan 0.000 0.275 312 P C -2.581 174.700 177.300 -0.031 0.000 1.266 312 P CA -1.156 61.925 63.100 -0.031 0.000 0.793 312 P CB -0.793 30.891 31.700 -0.026 0.000 1.074 313 P HA 0.213 nan 4.420 nan 0.000 0.267 313 P C -0.752 176.541 177.300 -0.012 0.000 1.200 313 P CA 0.062 63.154 63.100 -0.014 0.000 0.772 313 P CB 0.163 31.861 31.700 -0.003 0.000 0.855 314 L N 1.804 123.021 121.223 -0.011 0.000 2.408 314 L HA 0.448 4.788 4.340 -0.000 0.000 0.268 314 L C -0.818 176.083 176.870 0.053 0.000 0.986 314 L CA -0.450 54.387 54.840 -0.005 0.000 0.820 314 L CB 2.081 44.099 42.059 -0.068 0.000 1.303 314 L HN 0.291 nan 8.230 nan 0.000 0.411 315 Q N 3.753 123.596 119.800 0.071 0.000 2.274 315 Q HA 0.691 5.031 4.340 -0.000 0.000 0.260 315 Q C -1.646 174.434 176.000 0.133 0.000 0.974 315 Q CA -0.673 55.187 55.803 0.094 0.000 0.876 315 Q CB 1.898 30.633 28.738 -0.005 0.000 1.297 315 Q HN 0.670 nan 8.270 nan 0.000 0.446 316 F N -0.453 119.369 119.950 -0.214 0.000 2.662 316 F HA 0.517 5.044 4.527 -0.000 0.000 0.312 316 F C -1.855 173.791 175.800 -0.256 0.000 1.113 316 F CA -1.283 56.590 58.000 -0.212 0.000 0.951 316 F CB 1.154 40.126 39.000 -0.047 0.000 1.344 316 F HN 0.359 nan 8.300 nan 0.000 0.462 317 Y N 1.227 121.534 120.300 0.012 0.000 2.717 317 Y HA 0.392 4.942 4.550 -0.000 0.000 0.329 317 Y C -2.129 173.683 175.900 -0.147 0.000 1.017 317 Y CA -2.157 55.880 58.100 -0.104 0.000 1.275 317 Y CB 0.664 39.152 38.460 0.046 0.000 1.109 317 Y HN 0.376 nan 8.280 nan 0.000 0.511 318 P HA -0.147 nan 4.420 nan 0.000 0.223 318 P C 0.028 177.345 177.300 0.028 0.000 1.144 318 P CA 1.468 64.479 63.100 -0.149 0.000 0.783 318 P CB 0.303 31.833 31.700 -0.283 0.000 0.771 319 Q N -0.760 119.066 119.800 0.043 0.000 2.144 319 Q HA 0.439 4.779 4.340 -0.000 0.000 0.305 319 Q C 0.255 176.289 176.000 0.056 0.000 0.876 319 Q CA -0.225 55.609 55.803 0.052 0.000 1.130 319 Q CB 0.929 29.688 28.738 0.034 0.000 1.267 319 Q HN 0.108 nan 8.270 nan 0.000 0.433 320 G N 2.572 111.420 108.800 0.080 0.000 2.730 320 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 320 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 320 G C -2.901 171.982 174.900 -0.030 0.000 1.343 320 G CA -1.087 44.032 45.100 0.031 0.000 0.826 320 G HN 0.105 nan 8.290 nan 0.000 0.582 321 P HA 0.355 nan 4.420 nan 0.000 0.274 321 P C 0.073 177.239 177.300 -0.224 0.000 1.246 321 P CA -0.280 62.523 63.100 -0.494 0.000 0.795 321 P CB 0.584 31.846 31.700 -0.729 0.000 1.006 322 R N 0.512 120.973 120.500 -0.066 0.000 2.629 322 R HA 0.341 4.681 4.340 -0.000 0.000 0.386 322 R C -0.134 176.275 176.300 0.182 0.000 1.071 322 R CA -0.123 56.020 56.100 0.070 0.000 1.104 322 R CB -0.218 30.163 30.300 0.135 0.000 1.370 322 R HN 0.523 nan 8.270 nan 0.000 0.574 323 F N -1.354 118.535 119.950 -0.102 0.000 2.662 323 F HA 0.706 5.233 4.527 -0.000 0.000 0.312 323 F C -0.769 174.976 175.800 -0.091 0.000 1.113 323 F CA -1.311 56.641 58.000 -0.080 0.000 0.951 323 F CB 1.342 40.301 39.000 -0.068 0.000 1.344 323 F HN -0.156 nan 8.300 nan 0.000 0.462 324 S N 0.583 116.238 115.700 -0.075 0.000 2.548 324 S HA 0.847 5.317 4.470 -0.000 0.000 0.286 324 S C -1.615 172.975 174.600 -0.015 0.000 1.098 324 S CA -0.762 57.340 58.200 -0.163 0.000 0.930 324 S CB 1.714 64.851 63.200 -0.104 0.000 1.070 324 S HN 0.815 nan 8.310 nan 0.000 0.480 325 V N 1.596 121.494 119.914 -0.027 0.000 2.378 325 V HA 0.806 4.926 4.120 -0.000 0.000 0.288 325 V C 0.153 176.253 176.094 0.011 0.000 1.016 325 V CA -0.365 61.964 62.300 0.049 0.000 0.840 325 V CB 0.620 32.524 31.823 0.136 0.000 0.994 325 V HN 1.142 nan 8.190 nan 0.000 0.431 326 Q N 3.053 122.846 119.800 -0.013 0.000 2.413 326 Q HA 0.672 5.012 4.340 -0.000 0.000 0.258 326 Q C 0.804 176.773 176.000 -0.052 0.000 1.037 326 Q CA 0.306 56.093 55.803 -0.027 0.000 0.764 326 Q CB 1.164 29.881 28.738 -0.036 0.000 1.217 326 Q HN 1.953 nan 8.270 nan 0.000 0.490 327 G N 1.152 109.927 108.800 -0.041 0.000 2.543 327 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.286 327 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.286 327 G C 1.541 176.303 174.900 -0.229 0.000 1.153 327 G CA 1.344 46.391 45.100 -0.087 0.000 0.968 327 G HN 2.150 nan 8.290 nan 0.000 0.544 328 S N 0.113 115.601 115.700 -0.353 0.000 2.575 328 S HA 0.441 4.911 4.470 -0.000 0.000 0.215 328 S C 0.928 175.097 174.600 -0.720 0.000 0.966 328 S CA 1.191 58.923 58.200 -0.780 0.000 0.911 328 S CB 0.290 63.193 63.200 -0.495 0.000 0.780 328 S HN 0.787 nan 8.310 nan 0.000 0.514 329 R N 1.043 121.352 120.500 -0.320 0.000 2.338 329 R HA 0.659 4.999 4.340 -0.000 0.000 0.317 329 R C -1.426 174.776 176.300 -0.163 0.000 0.968 329 R CA -0.395 55.584 56.100 -0.201 0.000 0.849 329 R CB 1.545 31.773 30.300 -0.121 0.000 1.128 329 R HN 0.165 nan 8.270 nan 0.000 0.448 330 V N 2.919 122.613 119.914 -0.367 0.000 2.667 330 V HA 0.880 5.000 4.120 -0.000 0.000 0.308 330 V C -0.479 175.394 176.094 -0.369 0.000 1.048 330 V CA -0.661 61.389 62.300 -0.415 0.000 0.928 330 V CB 1.748 33.081 31.823 -0.817 0.000 1.004 330 V HN 0.924 nan 8.190 nan 0.000 0.444 331 A N 3.041 125.774 122.820 -0.145 0.000 2.455 331 A HA 0.930 5.250 4.320 -0.000 0.000 0.300 331 A C -0.389 177.218 177.584 0.037 0.000 1.040 331 A CA -0.079 51.922 52.037 -0.060 0.000 0.697 331 A CB 2.027 20.999 19.000 -0.046 0.000 1.265 331 A HN 1.178 nan 8.150 nan 0.000 0.407 332 S N 0.284 116.020 115.700 0.060 0.000 2.720 332 S HA 0.627 5.097 4.470 -0.000 0.000 0.287 332 S C 1.089 175.709 174.600 0.032 0.000 1.168 332 S CA 0.369 58.627 58.200 0.096 0.000 0.832 332 S CB 0.957 64.255 63.200 0.162 0.000 1.166 332 S HN 1.554 nan 8.310 nan 0.000 0.493 333 S N -0.322 115.394 115.700 0.027 0.000 2.381 333 S HA -0.123 4.347 4.470 -0.000 0.000 0.230 333 S C 1.432 175.950 174.600 -0.137 0.000 1.052 333 S CA 2.079 60.258 58.200 -0.035 0.000 1.068 333 S CB -0.895 62.303 63.200 -0.004 0.000 0.918 333 S HN 0.587 nan 8.310 nan 0.000 0.448 334 L N -2.359 118.762 121.223 -0.171 0.000 2.500 334 L HA 0.360 4.699 4.340 -0.000 0.000 0.219 334 L C 0.242 176.742 176.870 -0.617 0.000 1.057 334 L CA -0.243 54.267 54.840 -0.550 0.000 0.854 334 L CB 0.079 41.782 42.059 -0.594 0.000 1.078 334 L HN 0.303 nan 8.230 nan 0.000 0.480 335 W N -0.659 120.600 121.300 -0.067 0.000 2.639 335 W HA 0.542 5.202 4.660 -0.000 0.000 0.347 335 W C -0.272 176.244 176.519 -0.006 0.000 1.067 335 W CA -0.429 56.924 57.345 0.014 0.000 1.218 335 W CB 1.950 31.412 29.460 0.003 0.000 1.393 335 W HN -0.419 nan 8.180 nan 0.000 0.557 336 T N 3.182 117.971 114.554 0.392 0.000 3.237 336 T HA 0.548 4.898 4.350 -0.000 0.000 0.319 336 T C -1.493 173.386 174.700 0.298 0.000 1.037 336 T CA -0.531 61.674 62.100 0.174 0.000 1.048 336 T CB 0.298 69.230 68.868 0.106 0.000 1.081 336 T HN 0.280 nan 8.240 nan 0.000 0.455 337 F N 0.072 120.039 119.950 0.028 0.000 2.719 337 F HA 0.817 5.344 4.527 -0.000 0.000 0.309 337 F C -0.650 175.190 175.800 0.066 0.000 1.138 337 F CA -1.154 56.868 58.000 0.037 0.000 0.943 337 F CB 1.056 40.048 39.000 -0.014 0.000 1.304 337 F HN 0.369 nan 8.300 nan 0.000 0.445 338 S N 1.444 117.276 115.700 0.220 0.000 2.525 338 S HA 0.816 5.286 4.470 -0.000 0.000 0.290 338 S C -0.923 173.870 174.600 0.322 0.000 1.152 338 S CA -0.523 57.755 58.200 0.130 0.000 1.072 338 S CB 0.525 63.814 63.200 0.147 0.000 1.027 338 S HN 0.743 nan 8.310 nan 0.000 0.500 339 F N 1.577 121.607 119.950 0.132 0.000 2.618 339 F HA 1.027 5.554 4.527 -0.000 0.000 0.332 339 F C 0.276 176.080 175.800 0.007 0.000 1.061 339 F CA -0.440 57.617 58.000 0.095 0.000 0.974 339 F CB 1.067 40.084 39.000 0.028 0.000 1.310 339 F HN 0.833 nan 8.300 nan 0.000 0.491 340 G N 0.157 109.116 108.800 0.264 0.000 2.320 340 G HA2 0.475 4.435 3.960 -0.000 0.000 0.296 340 G HA3 0.475 4.435 3.960 -0.000 0.000 0.296 340 G C -2.687 172.414 174.900 0.336 0.000 1.306 340 G CA -1.031 44.223 45.100 0.257 0.000 0.836 340 G HN 0.872 nan 8.290 nan 0.000 0.517 341 L N 0.771 122.165 121.223 0.286 0.000 2.439 341 L HA 0.604 4.944 4.340 -0.000 0.000 0.270 341 L C 0.838 177.781 176.870 0.121 0.000 0.972 341 L CA -0.780 54.067 54.840 0.011 0.000 0.836 341 L CB 2.067 43.755 42.059 -0.619 0.000 1.255 341 L HN 0.913 nan 8.230 nan 0.000 0.404 342 G N 1.356 110.192 108.800 0.060 0.000 2.441 342 G HA2 0.345 4.304 3.960 -0.000 0.000 0.243 342 G HA3 0.345 4.304 3.960 -0.000 0.000 0.243 342 G C 0.935 175.824 174.900 -0.018 0.000 1.281 342 G CA 0.324 45.473 45.100 0.083 0.000 0.854 342 G HN 0.874 nan 8.290 nan 0.000 0.560 343 A N 2.020 124.808 122.820 -0.055 0.000 1.908 343 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 343 A C 1.789 179.065 177.584 -0.513 0.000 1.181 343 A CA 1.602 53.441 52.037 -0.329 0.000 0.627 343 A CB -0.286 18.255 19.000 -0.765 0.000 0.818 343 A HN 0.595 nan 8.150 nan 0.000 0.445 344 F N -0.486 119.532 119.950 0.114 0.000 2.453 344 F HA 0.064 4.591 4.527 -0.000 0.000 0.284 344 F C 2.801 178.601 175.800 -0.000 0.000 1.065 344 F CA 0.869 58.920 58.000 0.084 0.000 1.411 344 F CB -0.676 38.376 39.000 0.087 0.000 1.131 344 F HN 0.251 nan 8.300 nan 0.000 0.582 345 S N -0.360 115.415 115.700 0.125 0.000 2.428 345 S HA 0.369 4.838 4.470 -0.000 0.000 0.230 345 S C 1.416 175.895 174.600 -0.203 0.000 1.014 345 S CA 0.659 58.843 58.200 -0.027 0.000 0.957 345 S CB -0.703 62.505 63.200 0.013 0.000 0.784 345 S HN 0.695 nan 8.310 nan 0.000 0.499 346 G N 1.079 109.759 108.800 -0.200 0.000 2.545 346 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.216 346 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.216 346 G C -3.155 171.556 174.900 -0.314 0.000 1.314 346 G CA -0.612 44.277 45.100 -0.352 0.000 0.906 346 G HN 0.460 nan 8.290 nan 0.000 0.563 347 P HA 0.407 nan 4.420 nan 0.000 0.267 347 P C -0.044 177.172 177.300 -0.140 0.000 1.200 347 P CA 0.470 63.456 63.100 -0.190 0.000 0.772 347 P CB 0.424 32.003 31.700 -0.201 0.000 0.855 348 R N 1.115 121.596 120.500 -0.031 0.000 2.663 348 R HA 0.745 5.085 4.340 -0.000 0.000 0.267 348 R C -1.664 174.574 176.300 -0.103 0.000 1.038 348 R CA -0.897 55.128 56.100 -0.126 0.000 0.886 348 R CB 0.920 31.162 30.300 -0.098 0.000 1.249 348 R HN 0.237 nan 8.270 nan 0.000 0.463 349 I N 1.380 121.733 120.570 -0.362 0.000 2.828 349 I HA 0.586 4.756 4.170 -0.000 0.000 0.302 349 I C -1.190 174.508 176.117 -0.699 0.000 1.101 349 I CA -0.875 60.282 61.300 -0.239 0.000 1.031 349 I CB 2.111 40.016 38.000 -0.159 0.000 1.231 349 I HN 0.489 nan 8.210 nan 0.000 0.427 350 F N 1.374 121.204 119.950 -0.200 0.000 2.613 350 F HA 0.322 4.849 4.527 -0.000 0.000 0.314 350 F C 0.086 175.700 175.800 -0.311 0.000 1.075 350 F CA -0.813 56.870 58.000 -0.528 0.000 0.945 350 F CB 1.318 39.550 39.000 -1.281 0.000 1.310 350 F HN 0.484 nan 8.300 nan 0.000 0.467 351 D N 1.092 121.401 120.400 -0.151 0.000 2.697 351 D HA -0.147 4.493 4.640 -0.000 0.000 0.235 351 D C -1.046 175.353 176.300 0.165 0.000 1.167 351 D CA 0.301 54.325 54.000 0.040 0.000 0.656 351 D CB -0.594 40.275 40.800 0.115 0.000 1.025 351 D HN 0.199 nan 8.370 nan 0.000 0.419 352 V N 1.819 121.837 119.914 0.174 0.000 2.470 352 V HA 0.330 4.450 4.120 -0.000 0.000 0.276 352 V C 1.100 177.404 176.094 0.351 0.000 1.040 352 V CA 0.262 62.748 62.300 0.310 0.000 1.008 352 V CB 1.274 33.256 31.823 0.266 0.000 0.990 352 V HN 0.178 nan 8.190 nan 0.000 0.477 353 R N 4.091 124.842 120.500 0.418 0.000 2.483 353 R HA 0.418 4.758 4.340 -0.000 0.000 0.303 353 R C -1.283 175.173 176.300 0.259 0.000 0.987 353 R CA -0.559 55.727 56.100 0.310 0.000 0.881 353 R CB 2.065 32.484 30.300 0.197 0.000 1.177 353 R HN 0.628 nan 8.270 nan 0.000 0.451 354 F N 2.980 122.936 119.950 0.009 0.000 2.411 354 F HA 0.098 4.625 4.527 -0.000 0.000 0.355 354 F C 0.586 176.329 175.800 -0.095 0.000 1.117 354 F CA 0.080 57.882 58.000 -0.329 0.000 1.139 354 F CB 0.895 39.688 39.000 -0.346 0.000 1.120 354 F HN 0.600 nan 8.300 nan 0.000 0.493 355 Q N 4.671 124.004 119.800 -0.778 0.000 2.406 355 Q HA -0.250 4.090 4.340 -0.000 0.000 0.339 355 Q C 1.114 177.040 176.000 -0.123 0.000 1.337 355 Q CA 1.003 56.541 55.803 -0.442 0.000 0.985 355 Q CB -1.417 27.061 28.738 -0.433 0.000 1.216 355 Q HN 1.287 nan 8.270 nan 0.000 0.415 356 G N -0.419 108.341 108.800 -0.066 0.000 2.225 356 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.254 356 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.254 356 G C -0.085 174.867 174.900 0.087 0.000 0.988 356 G CA 0.338 45.446 45.100 0.013 0.000 0.625 356 G HN 0.499 nan 8.290 nan 0.000 0.527 357 E N 0.355 120.645 120.200 0.151 0.000 2.166 357 E HA 0.579 4.929 4.350 -0.000 0.000 0.275 357 E C 0.402 177.149 176.600 0.245 0.000 0.941 357 E CA -1.050 55.479 56.400 0.215 0.000 0.784 357 E CB 0.720 30.598 29.700 0.297 0.000 1.115 357 E HN 0.327 nan 8.360 nan 0.000 0.399 358 R N 4.537 125.166 120.500 0.215 0.000 2.401 358 R HA 0.103 4.443 4.340 -0.000 0.000 0.299 358 R C 0.435 176.836 176.300 0.169 0.000 1.064 358 R CA 0.153 56.373 56.100 0.200 0.000 1.000 358 R CB 0.408 30.823 30.300 0.190 0.000 0.973 358 R HN 0.707 nan 8.270 nan 0.000 0.438 359 L N 3.933 125.219 121.223 0.105 0.000 2.269 359 L HA 0.207 4.546 4.340 -0.000 0.000 0.200 359 L C -0.085 176.740 176.870 -0.074 0.000 1.069 359 L CA 0.214 54.993 54.840 -0.102 0.000 0.804 359 L CB 0.403 42.311 42.059 -0.251 0.000 0.987 359 L HN 0.352 nan 8.230 nan 0.000 0.468 360 V N -1.974 117.943 119.914 0.006 0.000 2.656 360 V HA 0.154 4.274 4.120 -0.000 0.000 0.307 360 V C 0.253 176.387 176.094 0.066 0.000 1.051 360 V CA -0.760 61.540 62.300 0.001 0.000 0.893 360 V CB 1.692 33.473 31.823 -0.069 0.000 0.999 360 V HN 0.100 nan 8.190 nan 0.000 0.426 361 Y N 2.731 123.022 120.300 -0.016 0.000 2.184 361 Y HA 0.148 4.698 4.550 -0.000 0.000 0.290 361 Y C 1.026 176.891 175.900 -0.058 0.000 1.129 361 Y CA 1.912 60.025 58.100 0.021 0.000 1.144 361 Y CB 0.511 39.008 38.460 0.060 0.000 0.995 361 Y HN 0.731 nan 8.280 nan 0.000 0.513 362 E N 0.286 120.405 120.200 -0.135 0.000 2.304 362 E HA 0.390 4.740 4.350 -0.000 0.000 0.277 362 E C -1.885 174.486 176.600 -0.381 0.000 0.898 362 E CA -0.552 55.562 56.400 -0.476 0.000 0.764 362 E CB 1.337 30.887 29.700 -0.250 0.000 1.216 362 E HN 0.215 nan 8.360 nan 0.000 0.419 363 I N 3.553 123.830 120.570 -0.489 0.000 2.439 363 I HA 0.295 4.465 4.170 -0.000 0.000 0.285 363 I C -0.774 175.146 176.117 -0.329 0.000 1.021 363 I CA -0.570 60.540 61.300 -0.317 0.000 1.091 363 I CB 1.840 39.689 38.000 -0.252 0.000 1.242 363 I HN 0.473 nan 8.210 nan 0.000 0.439 364 S N 6.232 121.797 115.700 -0.224 0.000 2.547 364 S HA 0.590 5.060 4.470 -0.000 0.000 0.281 364 S C -0.820 173.690 174.600 -0.150 0.000 1.118 364 S CA -0.848 57.234 58.200 -0.196 0.000 0.947 364 S CB 2.086 65.170 63.200 -0.193 0.000 1.053 364 S HN 0.471 nan 8.310 nan 0.000 0.482 365 L N 2.458 123.533 121.223 -0.247 0.000 2.485 365 L HA 0.312 4.652 4.340 -0.000 0.000 0.275 365 L C 1.001 177.586 176.870 -0.476 0.000 1.207 365 L CA 0.999 55.490 54.840 -0.581 0.000 0.855 365 L CB 0.142 41.675 42.059 -0.876 0.000 1.114 365 L HN 0.887 nan 8.230 nan 0.000 0.485 366 Q N 1.943 121.400 119.800 -0.571 0.000 2.477 366 Q HA 0.264 4.604 4.340 -0.000 0.000 0.252 366 Q C -0.235 175.536 176.000 -0.382 0.000 0.869 366 Q CA 0.286 55.878 55.803 -0.352 0.000 0.969 366 Q CB 0.998 29.583 28.738 -0.254 0.000 1.144 366 Q HN 0.749 nan 8.270 nan 0.000 0.577 367 E N -1.102 118.748 120.200 -0.584 0.000 2.396 367 E HA 0.643 4.992 4.350 -0.000 0.000 0.280 367 E C -2.049 174.264 176.600 -0.479 0.000 1.065 367 E CA -0.316 55.822 56.400 -0.436 0.000 0.831 367 E CB 1.558 31.039 29.700 -0.365 0.000 1.272 367 E HN 0.081 nan 8.360 nan 0.000 0.443 368 A N 1.708 124.406 122.820 -0.202 0.000 2.454 368 A HA 0.884 5.204 4.320 -0.000 0.000 0.302 368 A C -1.839 175.804 177.584 0.098 0.000 1.079 368 A CA -0.609 51.346 52.037 -0.136 0.000 0.731 368 A CB 1.334 20.125 19.000 -0.348 0.000 1.299 368 A HN 0.527 nan 8.150 nan 0.000 0.413 369 L N 0.890 122.197 121.223 0.140 0.000 2.493 369 L HA 0.802 5.141 4.340 -0.000 0.000 0.265 369 L C -0.563 176.309 176.870 0.003 0.000 0.954 369 L CA -0.015 54.857 54.840 0.054 0.000 0.844 369 L CB 1.846 43.872 42.059 -0.055 0.000 1.302 369 L HN 1.242 nan 8.230 nan 0.000 0.405 370 A N 6.372 129.184 122.820 -0.013 0.000 2.340 370 A HA 0.786 5.105 4.320 -0.000 0.000 0.297 370 A C -1.064 176.432 177.584 -0.147 0.000 1.195 370 A CA -0.319 51.658 52.037 -0.100 0.000 0.769 370 A CB 0.510 19.544 19.000 0.056 0.000 1.163 370 A HN 0.617 nan 8.150 nan 0.000 0.472 371 I N 2.523 122.928 120.570 -0.276 0.000 2.354 371 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 371 I C -0.907 175.074 176.117 -0.227 0.000 0.989 371 I CA -0.478 60.695 61.300 -0.211 0.000 1.188 371 I CB 1.331 39.196 38.000 -0.225 0.000 1.342 371 I HN 0.661 nan 8.210 nan 0.000 0.457 372 Y N 3.240 123.469 120.300 -0.118 0.000 2.567 372 Y HA 0.751 5.301 4.550 -0.000 0.000 0.333 372 Y C 0.674 176.531 175.900 -0.072 0.000 1.106 372 Y CA -0.504 57.547 58.100 -0.081 0.000 1.157 372 Y CB 2.242 40.617 38.460 -0.142 0.000 1.277 372 Y HN 0.528 nan 8.280 nan 0.000 0.490 373 G N -0.685 108.196 108.800 0.134 0.000 2.619 373 G HA2 0.656 4.616 3.960 -0.000 0.000 0.296 373 G HA3 0.656 4.616 3.960 -0.000 0.000 0.296 373 G C -1.100 173.811 174.900 0.018 0.000 1.334 373 G CA -0.529 44.613 45.100 0.070 0.000 0.934 373 G HN 0.917 nan 8.290 nan 0.000 0.476 374 G N -0.367 108.318 108.800 -0.193 0.000 2.466 374 G HA2 0.431 4.391 3.960 -0.000 0.000 0.291 374 G HA3 0.431 4.391 3.960 -0.000 0.000 0.291 374 G C 0.308 174.723 174.900 -0.808 0.000 1.460 374 G CA 0.075 44.957 45.100 -0.363 0.000 0.791 374 G HN 0.806 nan 8.290 nan 0.000 0.505 375 N N -0.879 117.442 118.700 -0.631 0.000 2.396 375 N HA 0.009 4.749 4.740 -0.000 0.000 0.180 375 N C 1.066 176.378 175.510 -0.331 0.000 1.028 375 N CA 1.224 53.923 53.050 -0.584 0.000 0.893 375 N CB -0.069 38.021 38.487 -0.662 0.000 0.967 375 N HN 0.755 nan 8.380 nan 0.000 0.440 376 S N -1.563 113.878 115.700 -0.432 0.000 2.715 376 S HA 0.583 5.053 4.470 -0.000 0.000 0.307 376 S C -2.256 171.878 174.600 -0.776 0.000 1.119 376 S CA -1.397 56.373 58.200 -0.716 0.000 0.937 376 S CB 2.354 65.234 63.200 -0.533 0.000 1.150 376 S HN -0.218 nan 8.310 nan 0.000 0.521 377 P HA 0.099 nan 4.420 nan 0.000 0.216 377 P C 1.568 178.341 177.300 -0.878 0.000 1.153 377 P CA 1.702 64.172 63.100 -1.049 0.000 0.844 377 P CB -0.259 30.315 31.700 -1.876 0.000 0.787 378 A N 0.631 122.993 122.820 -0.763 0.000 1.834 378 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 378 A C 2.384 179.761 177.584 -0.346 0.000 1.203 378 A CA 2.676 54.478 52.037 -0.391 0.000 0.621 378 A CB -1.759 17.132 19.000 -0.181 0.000 0.841 378 A HN 0.172 nan 8.150 nan 0.000 0.446 379 A N 0.292 122.899 122.820 -0.355 0.000 1.873 379 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 379 A C 2.354 179.805 177.584 -0.221 0.000 1.193 379 A CA 2.732 54.585 52.037 -0.305 0.000 0.629 379 A CB -0.811 18.030 19.000 -0.264 0.000 0.826 379 A HN 0.977 nan 8.150 nan 0.000 0.447 380 M N -0.413 119.024 119.600 -0.271 0.000 2.557 380 M HA -0.026 4.454 4.480 -0.000 0.000 0.259 380 M C 1.192 177.415 176.300 -0.127 0.000 1.086 380 M CA 2.038 57.217 55.300 -0.202 0.000 1.096 380 M CB -0.549 31.890 32.600 -0.268 0.000 1.424 380 M HN 0.413 nan 8.290 nan 0.000 0.488 381 T N -3.663 110.806 114.554 -0.142 0.000 3.043 381 T HA 0.220 4.570 4.350 -0.000 0.000 0.272 381 T C 0.322 174.975 174.700 -0.078 0.000 0.990 381 T CA -0.318 61.745 62.100 -0.063 0.000 0.897 381 T CB -0.201 68.662 68.868 -0.008 0.000 1.111 381 T HN 0.222 nan 8.240 nan 0.000 0.529 382 T N 3.581 118.041 114.554 -0.157 0.000 2.814 382 T HA 0.486 4.836 4.350 -0.000 0.000 0.297 382 T C -0.241 174.329 174.700 -0.215 0.000 0.956 382 T CA -0.173 61.755 62.100 -0.287 0.000 1.123 382 T CB 0.446 69.011 68.868 -0.504 0.000 0.902 382 T HN 0.203 nan 8.240 nan 0.000 0.528 383 R N 2.588 122.928 120.500 -0.268 0.000 2.576 383 R HA 0.273 4.613 4.340 -0.000 0.000 0.283 383 R C -1.453 174.738 176.300 -0.183 0.000 1.493 383 R CA -0.532 55.439 56.100 -0.215 0.000 1.170 383 R CB 0.415 30.613 30.300 -0.169 0.000 1.189 383 R HN 0.537 nan 8.270 nan 0.000 0.542 384 Y N 1.161 121.460 120.300 -0.003 0.000 2.436 384 Y HA 0.156 4.706 4.550 -0.000 0.000 0.336 384 Y C 0.760 176.665 175.900 0.009 0.000 1.049 384 Y CA -0.542 57.587 58.100 0.048 0.000 1.294 384 Y CB 1.026 39.501 38.460 0.026 0.000 1.179 384 Y HN 0.161 nan 8.280 nan 0.000 0.520 385 V N 4.878 124.945 119.914 0.255 0.000 2.217 385 V HA 0.053 4.173 4.120 -0.000 0.000 0.264 385 V C 0.712 176.971 176.094 0.274 0.000 1.107 385 V CA -0.577 61.845 62.300 0.202 0.000 0.913 385 V CB 0.404 32.346 31.823 0.198 0.000 1.153 385 V HN 0.834 nan 8.190 nan 0.000 0.469 386 D N 3.853 124.391 120.400 0.230 0.000 2.228 386 D HA -0.162 4.478 4.640 -0.000 0.000 0.203 386 D C 2.128 178.583 176.300 0.257 0.000 0.988 386 D CA 1.713 55.843 54.000 0.217 0.000 0.864 386 D CB 0.232 41.102 40.800 0.117 0.000 0.928 386 D HN 0.665 nan 8.370 nan 0.000 0.469 387 G N 0.793 109.703 108.800 0.183 0.000 2.450 387 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 387 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 387 G C 1.705 176.740 174.900 0.225 0.000 1.130 387 G CA 1.012 46.225 45.100 0.188 0.000 0.760 387 G HN 0.384 nan 8.290 nan 0.000 0.557 388 G N -0.198 108.716 108.800 0.190 0.000 2.479 388 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.220 388 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.220 388 G C 1.412 176.359 174.900 0.078 0.000 1.115 388 G CA 0.735 45.875 45.100 0.067 0.000 0.757 388 G HN 0.408 nan 8.290 nan 0.000 0.560 389 F N 0.234 120.307 119.950 0.205 0.000 2.298 389 F HA 0.425 4.952 4.527 -0.000 0.000 0.282 389 F C 1.537 177.624 175.800 0.478 0.000 1.045 389 F CA 0.971 59.136 58.000 0.275 0.000 1.280 389 F CB 0.113 39.079 39.000 -0.057 0.000 1.114 389 F HN 0.280 nan 8.300 nan 0.000 0.546 390 G N 0.011 109.153 108.800 0.570 0.000 3.160 390 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.573 390 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.573 390 G C -0.123 174.963 174.900 0.309 0.000 1.286 390 G CA -0.660 44.750 45.100 0.516 0.000 1.151 390 G HN -0.011 nan 8.290 nan 0.000 0.555 391 M N 2.012 121.698 119.600 0.143 0.000 2.175 391 M HA 0.132 4.612 4.480 -0.000 0.000 0.264 391 M C 2.525 178.808 176.300 -0.030 0.000 1.063 391 M CA 2.771 58.111 55.300 0.068 0.000 1.119 391 M CB -0.340 32.198 32.600 -0.103 0.000 1.377 391 M HN 0.797 nan 8.290 nan 0.000 0.415 392 G N -0.768 107.935 108.800 -0.161 0.000 2.394 392 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.214 392 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.214 392 G C 1.577 176.302 174.900 -0.292 0.000 1.176 392 G CA 0.739 45.575 45.100 -0.439 0.000 0.786 392 G HN 0.434 nan 8.290 nan 0.000 0.533 393 K N -0.612 119.759 120.400 -0.048 0.000 2.113 393 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 393 K C 1.013 177.529 176.600 -0.140 0.000 1.047 393 K CA 1.134 57.382 56.287 -0.065 0.000 0.928 393 K CB -0.235 32.306 32.500 0.067 0.000 0.716 393 K HN 0.428 nan 8.250 nan 0.000 0.446 394 Y N 0.806 121.074 120.300 -0.053 0.000 2.683 394 Y HA 0.170 4.720 4.550 -0.000 0.000 0.297 394 Y C -0.137 175.729 175.900 -0.058 0.000 1.147 394 Y CA -0.268 57.817 58.100 -0.025 0.000 1.274 394 Y CB 0.355 38.847 38.460 0.054 0.000 1.143 394 Y HN -0.171 nan 8.280 nan 0.000 0.527 395 T N 1.358 115.877 114.554 -0.058 0.000 2.888 395 T HA 0.198 4.548 4.350 -0.000 0.000 0.301 395 T C 0.666 175.316 174.700 -0.082 0.000 1.001 395 T CA 0.050 62.081 62.100 -0.114 0.000 1.147 395 T CB 0.452 69.117 68.868 -0.340 0.000 0.931 395 T HN 0.339 nan 8.240 nan 0.000 0.541 396 T N 1.949 116.475 114.554 -0.047 0.000 2.945 396 T HA 0.587 4.937 4.350 -0.000 0.000 0.286 396 T C -2.879 171.775 174.700 -0.076 0.000 1.025 396 T CA -2.486 59.585 62.100 -0.049 0.000 1.039 396 T CB 1.112 69.975 68.868 -0.008 0.000 1.068 396 T HN 0.151 nan 8.240 nan 0.000 0.497 397 P HA 0.280 nan 4.420 nan 0.000 0.269 397 P C -0.718 176.546 177.300 -0.060 0.000 1.209 397 P CA -0.456 62.563 63.100 -0.135 0.000 0.776 397 P CB 0.308 31.821 31.700 -0.313 0.000 0.876 398 L N 2.300 123.515 121.223 -0.012 0.000 2.265 398 L HA 0.241 4.580 4.340 -0.000 0.000 0.288 398 L C 0.607 177.488 176.870 0.017 0.000 1.058 398 L CA -0.256 54.624 54.840 0.067 0.000 0.809 398 L CB 0.391 42.578 42.059 0.213 0.000 1.179 398 L HN 0.267 nan 8.230 nan 0.000 0.429 399 T N 3.955 118.551 114.554 0.071 0.000 2.752 399 T HA 0.165 4.515 4.350 -0.000 0.000 0.295 399 T C 0.494 175.223 174.700 0.050 0.000 0.923 399 T CA -0.390 61.774 62.100 0.107 0.000 1.112 399 T CB -0.086 68.871 68.868 0.148 0.000 0.884 399 T HN 0.423 nan 8.240 nan 0.000 0.525 400 R N 2.401 122.836 120.500 -0.108 0.000 2.486 400 R HA 0.280 4.620 4.340 -0.000 0.000 0.303 400 R C 1.574 177.896 176.300 0.037 0.000 0.958 400 R CA 0.916 56.889 56.100 -0.212 0.000 1.077 400 R CB -0.163 29.771 30.300 -0.610 0.000 0.921 400 R HN 1.016 nan 8.270 nan 0.000 0.406 401 G N 1.209 110.066 108.800 0.094 0.000 2.176 401 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 401 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 401 G C 0.487 175.430 174.900 0.071 0.000 0.979 401 G CA 0.212 45.403 45.100 0.151 0.000 0.641 401 G HN 0.461 nan 8.290 nan 0.000 0.530 402 V N -0.103 119.841 119.914 0.049 0.000 2.950 402 V HA 0.169 4.289 4.120 -0.000 0.000 0.231 402 V C 2.161 178.251 176.094 -0.008 0.000 1.205 402 V CA 1.639 63.945 62.300 0.010 0.000 1.239 402 V CB -0.130 31.699 31.823 0.009 0.000 1.050 402 V HN 0.160 nan 8.190 nan 0.000 0.498 403 D N -0.223 120.189 120.400 0.020 0.000 2.149 403 D HA 0.012 4.652 4.640 -0.000 0.000 0.201 403 D C 0.593 176.886 176.300 -0.011 0.000 0.972 403 D CA 1.071 55.079 54.000 0.012 0.000 0.835 403 D CB 0.108 40.941 40.800 0.054 0.000 0.966 403 D HN 0.425 nan 8.370 nan 0.000 0.476 404 c N -0.639 117.957 118.600 -0.006 0.000 3.213 404 c HA 0.476 5.046 4.570 -0.000 0.000 0.319 404 c C -2.461 171.502 174.090 -0.212 0.000 1.386 404 c CA -1.712 54.477 56.329 -0.233 0.000 1.494 404 c CB 1.622 43.957 42.510 -0.291 0.000 1.905 404 c HN 0.014 nan 8.230 nan 0.000 0.456 405 P HA 0.079 nan 4.420 nan 0.000 0.269 405 P C 0.142 177.488 177.300 0.077 0.000 1.209 405 P CA 0.219 63.208 63.100 -0.184 0.000 0.776 405 P CB 0.248 31.776 31.700 -0.287 0.000 0.876 406 Y N 2.679 123.023 120.300 0.073 0.000 2.102 406 Y HA -0.214 4.336 4.550 -0.000 0.000 0.280 406 Y C 1.563 177.613 175.900 0.250 0.000 1.178 406 Y CA 1.679 59.879 58.100 0.167 0.000 1.146 406 Y CB -0.285 38.244 38.460 0.114 0.000 0.968 406 Y HN 0.229 nan 8.280 nan 0.000 0.504 407 L N 0.426 121.915 121.223 0.443 0.000 2.645 407 L HA 0.210 4.550 4.340 -0.000 0.000 0.234 407 L C 1.020 178.133 176.870 0.404 0.000 1.165 407 L CA -0.300 54.803 54.840 0.438 0.000 0.944 407 L CB -0.780 41.534 42.059 0.424 0.000 1.149 407 L HN 0.189 nan 8.230 nan 0.000 0.446 408 A N -0.367 122.597 122.820 0.240 0.000 2.429 408 A HA 0.249 4.569 4.320 -0.000 0.000 0.242 408 A C 0.400 177.998 177.584 0.024 0.000 1.088 408 A CA 0.114 52.190 52.037 0.066 0.000 0.784 408 A CB 0.112 18.852 19.000 -0.435 0.000 1.038 408 A HN 0.172 nan 8.150 nan 0.000 0.501 409 T N 1.797 116.381 114.554 0.051 0.000 2.727 409 T HA 0.453 4.803 4.350 -0.000 0.000 0.298 409 T C -0.870 173.774 174.700 -0.093 0.000 0.942 409 T CA 0.573 62.714 62.100 0.068 0.000 0.997 409 T CB -0.416 68.555 68.868 0.171 0.000 0.917 409 T HN 0.361 nan 8.240 nan 0.000 0.487 410 Y N 1.801 122.175 120.300 0.122 0.000 2.352 410 Y HA 0.603 5.153 4.550 -0.000 0.000 0.326 410 Y C 0.298 176.286 175.900 0.147 0.000 1.166 410 Y CA -0.872 57.297 58.100 0.114 0.000 1.182 410 Y CB 1.168 39.651 38.460 0.038 0.000 1.216 410 Y HN 0.250 nan 8.280 nan 0.000 0.474 411 V N 2.523 122.643 119.914 0.344 0.000 2.808 411 V HA 0.248 4.368 4.120 -0.000 0.000 0.308 411 V C -0.989 175.355 176.094 0.416 0.000 1.099 411 V CA -1.182 61.336 62.300 0.364 0.000 0.920 411 V CB 2.053 34.133 31.823 0.429 0.000 1.014 411 V HN 0.660 nan 8.190 nan 0.000 0.425 412 D N 1.696 122.277 120.400 0.301 0.000 2.283 412 D HA 0.351 4.991 4.640 -0.000 0.000 0.248 412 D C -0.850 175.609 176.300 0.264 0.000 1.072 412 D CA -0.018 54.121 54.000 0.231 0.000 0.929 412 D CB 1.644 42.550 40.800 0.177 0.000 1.182 412 D HN 0.541 nan 8.370 nan 0.000 0.433 413 W N 2.142 123.449 121.300 0.012 0.000 2.573 413 W HA 0.267 4.927 4.660 -0.000 0.000 0.326 413 W C -0.806 175.745 176.519 0.053 0.000 1.049 413 W CA -0.455 56.896 57.345 0.009 0.000 1.220 413 W CB 0.775 30.235 29.460 0.001 0.000 1.373 413 W HN 0.259 nan 8.180 nan 0.000 0.507 414 H N 6.284 125.207 119.070 -0.244 0.000 2.492 414 H HA 0.561 5.117 4.556 -0.000 0.000 0.345 414 H C -0.577 174.316 175.328 -0.725 0.000 1.136 414 H CA -0.759 55.076 56.048 -0.354 0.000 1.202 414 H CB 1.064 30.695 29.762 -0.218 0.000 1.524 414 H HN 0.430 nan 8.280 nan 0.000 0.506 415 F N 0.564 120.119 119.950 -0.659 0.000 2.685 415 F HA 0.527 5.054 4.527 -0.000 0.000 0.315 415 F C -1.818 173.762 175.800 -0.366 0.000 1.126 415 F CA -1.198 56.377 58.000 -0.709 0.000 0.950 415 F CB 2.015 40.377 39.000 -1.063 0.000 1.360 415 F HN 0.329 nan 8.300 nan 0.000 0.469 416 L N 4.283 125.359 121.223 -0.246 0.000 2.529 416 L HA 0.582 4.922 4.340 -0.000 0.000 0.258 416 L C -2.144 174.669 176.870 -0.095 0.000 1.032 416 L CA -0.232 54.458 54.840 -0.250 0.000 0.899 416 L CB 1.032 42.982 42.059 -0.182 0.000 1.174 416 L HN 0.792 nan 8.230 nan 0.000 0.458 417 L N 4.071 125.285 121.223 -0.016 0.000 2.438 417 L HA 0.448 4.788 4.340 -0.000 0.000 0.270 417 L C 0.543 177.372 176.870 -0.069 0.000 0.972 417 L CA -0.560 54.247 54.840 -0.055 0.000 0.831 417 L CB 2.057 44.129 42.059 0.022 0.000 1.273 417 L HN 0.502 nan 8.230 nan 0.000 0.405 418 E N 1.200 121.304 120.200 -0.160 0.000 2.440 418 E HA -0.230 4.120 4.350 -0.000 0.000 0.246 418 E C -0.310 176.305 176.600 0.024 0.000 1.165 418 E CA 0.946 57.334 56.400 -0.020 0.000 0.726 418 E CB -0.637 29.116 29.700 0.087 0.000 1.271 418 E HN 0.730 nan 8.360 nan 0.000 0.397 419 S N -2.266 113.420 115.700 -0.023 0.000 2.661 419 S HA 0.388 4.858 4.470 -0.000 0.000 0.268 419 S C 0.231 174.806 174.600 -0.042 0.000 1.162 419 S CA -0.592 57.594 58.200 -0.022 0.000 0.817 419 S CB 1.970 65.135 63.200 -0.059 0.000 1.141 419 S HN 0.078 nan 8.310 nan 0.000 0.477 420 Q N -0.343 119.434 119.800 -0.039 0.000 2.402 420 Q HA 0.518 4.858 4.340 -0.000 0.000 0.231 420 Q C 0.463 176.423 176.000 -0.066 0.000 0.888 420 Q CA 0.566 56.347 55.803 -0.036 0.000 0.938 420 Q CB 0.644 29.376 28.738 -0.010 0.000 1.086 420 Q HN 0.937 nan 8.270 nan 0.000 0.543 421 A N 1.945 124.710 122.820 -0.093 0.000 2.324 421 A HA 0.592 4.912 4.320 -0.000 0.000 0.330 421 A C -2.545 174.910 177.584 -0.214 0.000 1.165 421 A CA -1.721 50.239 52.037 -0.128 0.000 0.813 421 A CB 0.510 19.445 19.000 -0.109 0.000 1.197 421 A HN 0.071 nan 8.150 nan 0.000 0.484 422 P HA 0.262 nan 4.420 nan 0.000 0.271 422 P C -0.671 176.348 177.300 -0.469 0.000 1.218 422 P CA 0.128 62.996 63.100 -0.387 0.000 0.780 422 P CB 0.874 32.389 31.700 -0.309 0.000 0.901 423 K N 0.386 120.312 120.400 -0.789 0.000 2.246 423 K HA 0.694 5.014 4.320 -0.000 0.000 0.239 423 K C -0.344 175.951 176.600 -0.509 0.000 1.089 423 K CA -0.683 55.207 56.287 -0.663 0.000 0.892 423 K CB 1.194 33.264 32.500 -0.718 0.000 1.334 423 K HN 0.301 nan 8.250 nan 0.000 0.507 424 T N 1.202 115.687 114.554 -0.114 0.000 2.916 424 T HA 0.406 4.756 4.350 -0.000 0.000 0.298 424 T C -0.938 173.954 174.700 0.321 0.000 1.031 424 T CA -0.691 61.524 62.100 0.192 0.000 0.993 424 T CB 0.881 69.855 68.868 0.178 0.000 1.045 424 T HN 0.262 nan 8.240 nan 0.000 0.454 425 I N 3.322 124.127 120.570 0.392 0.000 2.297 425 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 425 I C 0.786 176.991 176.117 0.146 0.000 1.033 425 I CA -0.536 60.900 61.300 0.228 0.000 1.253 425 I CB 0.700 38.820 38.000 0.199 0.000 1.396 425 I HN 0.433 nan 8.210 nan 0.000 0.476 426 R N 5.544 126.075 120.500 0.052 0.000 2.438 426 R HA 0.126 4.466 4.340 -0.000 0.000 0.287 426 R C -0.334 175.954 176.300 -0.021 0.000 1.077 426 R CA -0.364 55.748 56.100 0.020 0.000 1.034 426 R CB 0.498 30.770 30.300 -0.046 0.000 0.993 426 R HN 0.542 nan 8.270 nan 0.000 0.459 427 D N 1.215 121.646 120.400 0.052 0.000 2.723 427 D HA -0.205 4.435 4.640 -0.000 0.000 0.236 427 D C 0.753 177.094 176.300 0.069 0.000 1.138 427 D CA 1.151 55.213 54.000 0.103 0.000 0.676 427 D CB -1.195 39.591 40.800 -0.024 0.000 1.069 427 D HN 0.742 nan 8.370 nan 0.000 0.430 428 A N -0.935 121.892 122.820 0.012 0.000 1.898 428 A HA 0.106 4.425 4.320 -0.000 0.000 0.216 428 A C 0.813 178.174 177.584 -0.372 0.000 1.181 428 A CA 0.907 52.796 52.037 -0.247 0.000 0.620 428 A CB 0.018 18.772 19.000 -0.411 0.000 0.819 428 A HN 0.245 nan 8.150 nan 0.000 0.442 429 F N -1.336 118.672 119.950 0.096 0.000 2.470 429 F HA 0.532 5.059 4.527 -0.000 0.000 0.329 429 F C 0.454 176.265 175.800 0.019 0.000 1.072 429 F CA -1.023 56.997 58.000 0.033 0.000 0.989 429 F CB 1.336 40.323 39.000 -0.023 0.000 1.193 429 F HN 0.294 nan 8.300 nan 0.000 0.481 430 c N 0.483 119.173 118.600 0.149 0.000 2.712 430 c HA 0.977 5.547 4.570 -0.000 0.000 0.308 430 c C -1.067 173.039 174.090 0.027 0.000 1.201 430 c CA -0.986 55.306 56.329 -0.062 0.000 1.554 430 c CB 0.946 43.283 42.510 -0.288 0.000 2.117 430 c HN 0.668 nan 8.230 nan 0.000 0.480 431 V N 3.291 123.224 119.914 0.033 0.000 2.686 431 V HA 0.880 5.000 4.120 -0.000 0.000 0.306 431 V C -0.491 175.710 176.094 0.180 0.000 1.065 431 V CA -0.143 62.167 62.300 0.016 0.000 0.894 431 V CB 1.374 33.172 31.823 -0.040 0.000 1.004 431 V HN 1.112 nan 8.190 nan 0.000 0.424 432 F N 0.875 120.664 119.950 -0.268 0.000 2.770 432 F HA 0.696 5.223 4.527 -0.000 0.000 0.313 432 F C -0.948 174.706 175.800 -0.244 0.000 1.154 432 F CA -0.971 56.943 58.000 -0.143 0.000 0.923 432 F CB 1.557 40.590 39.000 0.054 0.000 1.301 432 F HN 0.373 nan 8.300 nan 0.000 0.449 433 E N 1.230 121.515 120.200 0.143 0.000 2.175 433 E HA 0.371 4.721 4.350 -0.000 0.000 0.278 433 E C -1.494 175.260 176.600 0.256 0.000 0.969 433 E CA -0.915 55.549 56.400 0.106 0.000 0.796 433 E CB 1.918 31.811 29.700 0.321 0.000 1.104 433 E HN 0.580 nan 8.360 nan 0.000 0.395 434 Q N 3.010 122.880 119.800 0.117 0.000 2.331 434 Q HA 0.173 4.513 4.340 -0.000 0.000 0.267 434 Q C -1.015 175.035 176.000 0.083 0.000 1.006 434 Q CA -0.670 55.228 55.803 0.159 0.000 0.818 434 Q CB 1.098 29.950 28.738 0.191 0.000 1.276 434 Q HN 0.396 nan 8.270 nan 0.000 0.450 435 N N 3.513 122.253 118.700 0.066 0.000 2.420 435 N HA -0.008 4.732 4.740 -0.000 0.000 0.262 435 N C -0.023 175.522 175.510 0.059 0.000 1.144 435 N CA 0.155 53.238 53.050 0.055 0.000 0.952 435 N CB 0.951 39.456 38.487 0.031 0.000 1.081 435 N HN 0.671 nan 8.380 nan 0.000 0.480 436 Q N 2.731 122.571 119.800 0.065 0.000 2.436 436 Q HA 0.023 4.363 4.340 -0.000 0.000 0.209 436 Q C 0.734 176.768 176.000 0.057 0.000 0.965 436 Q CA 0.589 56.431 55.803 0.066 0.000 0.910 436 Q CB -0.112 28.675 28.738 0.082 0.000 0.980 436 Q HN 0.904 nan 8.270 nan 0.000 0.491 437 G N 1.754 110.587 108.800 0.055 0.000 2.298 437 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.287 437 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.287 437 G C -0.383 174.546 174.900 0.049 0.000 1.075 437 G CA 0.465 45.593 45.100 0.047 0.000 0.960 437 G HN 0.267 nan 8.290 nan 0.000 0.502 438 L N -0.211 121.048 121.223 0.060 0.000 2.902 438 L HA 0.420 4.760 4.340 -0.000 0.000 0.261 438 L C -2.544 174.370 176.870 0.074 0.000 0.928 438 L CA -1.208 53.668 54.840 0.060 0.000 1.024 438 L CB 2.083 44.176 42.059 0.055 0.000 1.629 438 L HN 0.024 nan 8.230 nan 0.000 0.478 439 P HA 0.112 nan 4.420 nan 0.000 0.271 439 P C 0.622 177.967 177.300 0.074 0.000 1.216 439 P CA -0.403 62.750 63.100 0.088 0.000 0.771 439 P CB 1.407 33.165 31.700 0.096 0.000 0.864 440 L N 3.514 124.787 121.223 0.084 0.000 2.046 440 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 440 L C 1.101 177.998 176.870 0.045 0.000 1.077 440 L CA 1.848 56.733 54.840 0.075 0.000 0.747 440 L CB -0.354 41.764 42.059 0.098 0.000 0.896 440 L HN 0.574 nan 8.230 nan 0.000 0.432 441 R N -1.103 119.425 120.500 0.048 0.000 2.692 441 R HA 0.619 4.959 4.340 -0.000 0.000 0.269 441 R C -1.041 175.263 176.300 0.008 0.000 1.030 441 R CA -0.942 55.170 56.100 0.021 0.000 0.882 441 R CB 1.151 31.459 30.300 0.013 0.000 1.250 441 R HN 0.091 nan 8.270 nan 0.000 0.465 442 R N 1.759 122.244 120.500 -0.025 0.000 2.604 442 R HA 0.325 4.665 4.340 -0.000 0.000 0.261 442 R C -2.133 174.120 176.300 -0.079 0.000 1.080 442 R CA -0.799 55.236 56.100 -0.108 0.000 0.917 442 R CB 1.974 32.264 30.300 -0.017 0.000 1.252 442 R HN 0.903 nan 8.270 nan 0.000 0.456 443 H N 2.075 120.908 119.070 -0.395 0.000 2.856 443 H HA 0.322 4.878 4.556 -0.000 0.000 0.355 443 H C -1.778 173.305 175.328 -0.408 0.000 1.079 443 H CA -0.475 55.401 56.048 -0.286 0.000 1.240 443 H CB 1.261 30.930 29.762 -0.155 0.000 1.701 443 H HN 0.572 nan 8.280 nan 0.000 0.527 444 H N 3.832 122.427 119.070 -0.791 0.000 2.551 444 H HA 0.356 4.912 4.556 -0.000 0.000 0.321 444 H C -0.984 173.790 175.328 -0.923 0.000 1.028 444 H CA -0.209 55.476 56.048 -0.606 0.000 1.215 444 H CB 1.210 30.859 29.762 -0.188 0.000 1.414 444 H HN 0.497 nan 8.280 nan 0.000 0.480 445 S N 4.106 119.065 115.700 -1.235 0.000 2.461 445 S HA 0.126 4.596 4.470 -0.000 0.000 0.322 445 S C 0.365 174.571 174.600 -0.657 0.000 1.063 445 S CA -0.696 56.938 58.200 -0.944 0.000 1.120 445 S CB 0.360 62.798 63.200 -1.269 0.000 0.968 445 S HN 0.680 nan 8.310 nan 0.000 0.467 446 D N 3.214 123.388 120.400 -0.377 0.000 2.339 446 D HA 0.116 4.756 4.640 -0.000 0.000 0.217 446 D C -0.215 176.052 176.300 -0.055 0.000 1.050 446 D CA 0.198 54.024 54.000 -0.291 0.000 0.856 446 D CB 0.335 41.041 40.800 -0.158 0.000 0.922 446 D HN 0.371 nan 8.370 nan 0.000 0.518 447 L N 0.779 121.943 121.223 -0.098 0.000 2.276 447 L HA 0.152 4.492 4.340 -0.000 0.000 0.286 447 L C -0.240 176.564 176.870 -0.110 0.000 1.024 447 L CA -0.255 54.452 54.840 -0.222 0.000 0.826 447 L CB 0.276 42.096 42.059 -0.398 0.000 1.211 447 L HN -0.055 nan 8.230 nan 0.000 0.422 448 Y N 1.011 121.376 120.300 0.108 0.000 2.760 448 Y HA -0.310 4.240 4.550 -0.000 0.000 0.484 448 Y C 0.913 176.854 175.900 0.067 0.000 1.172 448 Y CA 0.948 59.089 58.100 0.069 0.000 2.808 448 Y CB -1.867 36.635 38.460 0.069 0.000 0.948 448 Y HN 0.616 nan 8.280 nan 0.000 0.551 449 S N 0.347 116.242 115.700 0.326 0.000 2.500 449 S HA 0.554 5.024 4.470 -0.000 0.000 0.301 449 S C -0.932 173.896 174.600 0.379 0.000 1.092 449 S CA -0.541 57.844 58.200 0.309 0.000 1.030 449 S CB 0.730 64.154 63.200 0.374 0.000 1.031 449 S HN 0.319 nan 8.310 nan 0.000 0.483 450 H N 4.047 123.194 119.070 0.129 0.000 2.690 450 H HA 0.431 4.987 4.556 -0.000 0.000 0.289 450 H C -0.919 174.429 175.328 0.033 0.000 1.089 450 H CA -0.471 55.562 56.048 -0.025 0.000 1.299 450 H CB 0.378 30.131 29.762 -0.015 0.000 1.405 450 H HN 0.664 nan 8.280 nan 0.000 0.463 451 Y N 1.745 121.988 120.300 -0.094 0.000 2.638 451 Y HA 0.511 5.061 4.550 -0.000 0.000 0.335 451 Y C -2.057 173.633 175.900 -0.350 0.000 1.155 451 Y CA -1.688 56.284 58.100 -0.214 0.000 1.046 451 Y CB 1.409 39.822 38.460 -0.077 0.000 1.303 451 Y HN 0.348 nan 8.280 nan 0.000 0.460 452 F N 0.792 120.386 119.950 -0.594 0.000 2.565 452 F HA 0.890 5.417 4.527 -0.000 0.000 0.313 452 F C -0.656 174.935 175.800 -0.348 0.000 1.091 452 F CA -0.795 56.850 58.000 -0.592 0.000 0.915 452 F CB 2.528 41.018 39.000 -0.850 0.000 1.208 452 F HN 0.950 nan 8.300 nan 0.000 0.453 453 G N 2.538 110.905 108.800 -0.721 0.000 2.668 453 G HA2 0.570 4.530 3.960 -0.000 0.000 0.284 453 G HA3 0.570 4.530 3.960 -0.000 0.000 0.284 453 G C -1.313 173.323 174.900 -0.441 0.000 1.456 453 G CA -0.219 44.764 45.100 -0.195 0.000 1.214 453 G HN 1.122 nan 8.290 nan 0.000 0.568 454 G N -0.444 108.288 108.800 -0.114 0.000 2.749 454 G HA2 0.818 4.778 3.960 -0.000 0.000 0.300 454 G HA3 0.818 4.778 3.960 -0.000 0.000 0.300 454 G C -2.122 172.870 174.900 0.154 0.000 1.352 454 G CA -0.821 44.280 45.100 0.002 0.000 0.789 454 G HN 1.550 nan 8.290 nan 0.000 0.509 455 L N -0.355 120.956 121.223 0.148 0.000 2.795 455 L HA 0.740 5.080 4.340 -0.000 0.000 0.260 455 L C -0.034 176.914 176.870 0.130 0.000 0.935 455 L CA -0.360 54.563 54.840 0.138 0.000 0.985 455 L CB 1.109 43.233 42.059 0.108 0.000 1.433 455 L HN 1.348 nan 8.230 nan 0.000 0.447 456 A N 3.503 126.401 122.820 0.131 0.000 2.407 456 A HA 0.443 4.763 4.320 -0.000 0.000 0.248 456 A C 0.066 177.716 177.584 0.109 0.000 1.082 456 A CA -0.166 51.939 52.037 0.113 0.000 0.785 456 A CB 0.233 19.293 19.000 0.101 0.000 1.020 456 A HN 0.765 nan 8.150 nan 0.000 0.489 457 E N 1.040 121.304 120.200 0.107 0.000 2.194 457 E HA 0.318 4.668 4.350 -0.000 0.000 0.284 457 E C -0.873 175.793 176.600 0.110 0.000 1.035 457 E CA 0.006 56.479 56.400 0.122 0.000 0.836 457 E CB 0.592 30.373 29.700 0.136 0.000 1.070 457 E HN 0.562 nan 8.360 nan 0.000 0.401 458 T N 3.746 118.370 114.554 0.117 0.000 2.786 458 T HA 0.336 4.685 4.350 -0.000 0.000 0.283 458 T C -0.446 174.305 174.700 0.085 0.000 0.992 458 T CA -0.664 61.494 62.100 0.097 0.000 0.954 458 T CB 1.033 69.966 68.868 0.108 0.000 0.934 458 T HN 0.372 nan 8.240 nan 0.000 0.440 459 V N 2.219 122.138 119.914 0.010 0.000 2.975 459 V HA 0.835 4.955 4.120 -0.000 0.000 0.318 459 V C -0.666 175.335 176.094 -0.155 0.000 1.077 459 V CA -1.185 61.056 62.300 -0.097 0.000 1.000 459 V CB 1.600 33.261 31.823 -0.270 0.000 1.066 459 V HN 0.634 nan 8.190 nan 0.000 0.452 460 L N 3.150 124.255 121.223 -0.197 0.000 2.287 460 L HA 0.739 5.079 4.340 -0.000 0.000 0.287 460 L C -0.360 176.292 176.870 -0.363 0.000 1.022 460 L CA 0.032 54.688 54.840 -0.307 0.000 0.814 460 L CB 1.359 43.285 42.059 -0.223 0.000 1.217 460 L HN 0.682 nan 8.230 nan 0.000 0.420 461 V N 5.295 124.814 119.914 -0.658 0.000 2.630 461 V HA 0.675 4.795 4.120 -0.000 0.000 0.305 461 V C -0.527 175.290 176.094 -0.462 0.000 1.046 461 V CA -0.747 61.152 62.300 -0.668 0.000 0.934 461 V CB 2.013 33.130 31.823 -1.176 0.000 1.003 461 V HN 0.483 nan 8.190 nan 0.000 0.451 462 V N 4.169 123.939 119.914 -0.240 0.000 2.577 462 V HA 0.639 4.759 4.120 -0.000 0.000 0.303 462 V C -0.295 175.782 176.094 -0.029 0.000 1.042 462 V CA -0.671 61.551 62.300 -0.129 0.000 0.872 462 V CB 1.842 33.614 31.823 -0.086 0.000 0.998 462 V HN 0.913 nan 8.190 nan 0.000 0.423 463 R N 2.573 123.115 120.500 0.070 0.000 2.673 463 R HA 0.814 5.154 4.340 -0.000 0.000 0.281 463 R C -1.099 175.307 176.300 0.176 0.000 0.991 463 R CA -0.198 55.989 56.100 0.145 0.000 0.896 463 R CB 2.349 32.755 30.300 0.176 0.000 1.201 463 R HN 0.812 nan 8.270 nan 0.000 0.457 464 S N 3.336 119.154 115.700 0.196 0.000 2.632 464 S HA 0.631 5.101 4.470 -0.000 0.000 0.289 464 S C -0.851 173.857 174.600 0.181 0.000 1.115 464 S CA -0.966 57.304 58.200 0.117 0.000 0.889 464 S CB 1.990 65.225 63.200 0.057 0.000 1.116 464 S HN 0.530 nan 8.310 nan 0.000 0.486 465 M N 1.640 121.298 119.600 0.095 0.000 2.393 465 M HA 0.456 4.936 4.480 -0.000 0.000 0.299 465 M C -1.099 175.271 176.300 0.117 0.000 1.103 465 M CA -0.435 54.913 55.300 0.079 0.000 0.910 465 M CB 2.377 34.983 32.600 0.010 0.000 1.659 465 M HN 0.526 nan 8.290 nan 0.000 0.445 466 S N 1.331 117.156 115.700 0.209 0.000 2.456 466 S HA 0.507 4.977 4.470 -0.000 0.000 0.316 466 S C -0.463 174.218 174.600 0.136 0.000 1.089 466 S CA -0.595 57.757 58.200 0.253 0.000 1.101 466 S CB 1.310 64.814 63.200 0.506 0.000 0.995 466 S HN 0.604 nan 8.310 nan 0.000 0.468 467 T N 4.468 119.084 114.554 0.102 0.000 2.853 467 T HA 0.401 4.750 4.350 -0.000 0.000 0.317 467 T C -0.526 174.200 174.700 0.043 0.000 1.059 467 T CA -0.386 61.727 62.100 0.023 0.000 0.954 467 T CB -0.201 68.698 68.868 0.052 0.000 0.994 467 T HN 0.299 nan 8.240 nan 0.000 0.479 468 L N 5.640 126.781 121.223 -0.137 0.000 2.283 468 L HA 0.490 4.830 4.340 -0.000 0.000 0.281 468 L C 0.765 177.404 176.870 -0.385 0.000 1.033 468 L CA -0.346 54.298 54.840 -0.326 0.000 0.848 468 L CB 0.068 41.888 42.059 -0.399 0.000 1.226 468 L HN 0.641 nan 8.230 nan 0.000 0.429 469 L N 0.374 121.464 121.223 -0.221 0.000 6.079 469 L HA -0.379 3.961 4.340 -0.000 0.000 0.053 469 L C 0.881 177.565 176.870 -0.310 0.000 2.483 469 L CA 1.303 56.061 54.840 -0.137 0.000 1.581 469 L CB -0.930 40.977 42.059 -0.253 0.000 2.843 469 L HN 0.947 nan 8.230 nan 0.000 1.020 473 Y N 0.260 120.444 120.300 -0.193 0.000 2.304 473 Y HA 0.519 5.069 4.550 -0.000 0.000 0.328 473 Y C 0.653 176.199 175.900 -0.589 0.000 1.123 473 Y CA -0.766 57.074 58.100 -0.432 0.000 1.218 473 Y CB 0.969 38.992 38.460 -0.729 0.000 1.207 473 Y HN 0.110 nan 8.280 nan 0.000 0.495 474 V N 2.836 122.558 119.914 -0.319 0.000 2.398 474 V HA 0.248 4.368 4.120 -0.000 0.000 0.286 474 V C -1.040 174.913 176.094 -0.235 0.000 1.026 474 V CA -1.304 60.865 62.300 -0.218 0.000 0.868 474 V CB 0.652 32.464 31.823 -0.018 0.000 0.982 474 V HN 0.722 nan 8.190 nan 0.000 0.443 475 W N 2.480 123.894 121.300 0.190 0.000 2.296 475 W HA 0.554 5.214 4.660 -0.000 0.000 0.316 475 W C -0.330 176.233 176.519 0.074 0.000 1.022 475 W CA -0.501 56.930 57.345 0.143 0.000 1.324 475 W CB 1.019 30.523 29.460 0.073 0.000 1.227 475 W HN 0.427 nan 8.180 nan 0.000 0.409 476 D N 1.629 122.164 120.400 0.225 0.000 2.175 476 D HA 0.456 5.096 4.640 -0.000 0.000 0.248 476 D C -0.385 175.835 176.300 -0.133 0.000 1.047 476 D CA -0.126 53.901 54.000 0.044 0.000 0.883 476 D CB 1.765 42.591 40.800 0.042 0.000 1.180 476 D HN 0.032 nan 8.370 nan 0.000 0.438 477 T N 1.322 115.727 114.554 -0.248 0.000 2.847 477 T HA 0.414 4.764 4.350 -0.000 0.000 0.291 477 T C -0.664 173.651 174.700 -0.642 0.000 0.998 477 T CA -0.552 61.239 62.100 -0.515 0.000 0.967 477 T CB 0.965 69.518 68.868 -0.525 0.000 0.954 477 T HN -0.014 nan 8.240 nan 0.000 0.441 478 V N 4.479 123.942 119.914 -0.752 0.000 2.417 478 V HA 0.558 4.678 4.120 -0.000 0.000 0.291 478 V C -0.849 174.697 176.094 -0.913 0.000 1.024 478 V CA -0.908 60.980 62.300 -0.686 0.000 0.861 478 V CB 1.000 32.513 31.823 -0.517 0.000 0.985 478 V HN 0.777 nan 8.190 nan 0.000 0.436 479 F N 3.712 123.235 119.950 -0.710 0.000 2.388 479 F HA 0.521 5.048 4.527 -0.000 0.000 0.358 479 F C 0.763 176.336 175.800 -0.380 0.000 1.122 479 F CA -0.401 57.113 58.000 -0.810 0.000 1.056 479 F CB 0.756 38.871 39.000 -1.476 0.000 1.155 479 F HN 0.477 nan 8.300 nan 0.000 0.461 480 H N 3.953 123.155 119.070 0.220 0.000 2.483 480 H HA 0.203 4.759 4.556 -0.000 0.000 0.338 480 H C -1.701 173.972 175.328 0.575 0.000 1.152 480 H CA -1.807 54.435 56.048 0.323 0.000 1.264 480 H CB 1.680 31.567 29.762 0.209 0.000 1.510 480 H HN 0.281 nan 8.280 nan 0.000 0.530 481 P HA -0.102 nan 4.420 nan 0.000 0.226 481 P C 1.247 178.759 177.300 0.353 0.000 1.153 481 P CA 0.885 64.262 63.100 0.460 0.000 0.777 481 P CB 0.147 32.026 31.700 0.298 0.000 0.794 482 S N -1.560 114.295 115.700 0.257 0.000 2.607 482 S HA 0.244 4.714 4.470 -0.000 0.000 0.224 482 S C 1.671 176.202 174.600 -0.115 0.000 0.969 482 S CA 0.602 58.846 58.200 0.074 0.000 0.927 482 S CB -1.294 61.941 63.200 0.059 0.000 0.772 482 S HN 0.287 nan 8.310 nan 0.000 0.533 483 G N 0.317 108.996 108.800 -0.202 0.000 2.175 483 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.244 483 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.244 483 G C 0.171 175.238 174.900 0.279 0.000 0.982 483 G CA -0.134 44.668 45.100 -0.497 0.000 0.641 483 G HN 1.265 nan 8.290 nan 0.000 0.527 484 A N -0.118 122.913 122.820 0.351 0.000 2.327 484 A HA 0.819 5.139 4.320 -0.000 0.000 0.283 484 A C 0.149 177.945 177.584 0.354 0.000 1.127 484 A CA -0.216 52.026 52.037 0.340 0.000 0.810 484 A CB 0.600 19.681 19.000 0.135 0.000 1.066 484 A HN 0.746 nan 8.150 nan 0.000 0.492 485 I N 1.020 121.691 120.570 0.168 0.000 2.474 485 I HA 0.404 4.573 4.170 -0.000 0.000 0.294 485 I C 0.070 176.042 176.117 -0.241 0.000 1.005 485 I CA -0.238 60.935 61.300 -0.211 0.000 1.113 485 I CB 1.945 39.714 38.000 -0.386 0.000 1.289 485 I HN 0.803 nan 8.210 nan 0.000 0.436 486 E N 6.543 126.466 120.200 -0.463 0.000 2.224 486 E HA 0.464 4.814 4.350 -0.000 0.000 0.265 486 E C -1.572 174.520 176.600 -0.847 0.000 0.878 486 E CA -0.687 55.291 56.400 -0.704 0.000 0.759 486 E CB 1.640 31.005 29.700 -0.559 0.000 1.164 486 E HN 0.359 nan 8.360 nan 0.000 0.414 487 I N 4.533 124.432 120.570 -1.118 0.000 2.355 487 I HA 0.450 4.619 4.170 -0.000 0.000 0.288 487 I C 0.149 175.727 176.117 -0.898 0.000 0.999 487 I CA -0.562 60.086 61.300 -1.086 0.000 1.163 487 I CB 0.946 37.975 38.000 -1.618 0.000 1.316 487 I HN 0.512 nan 8.210 nan 0.000 0.454 488 R N 5.409 125.602 120.500 -0.512 0.000 2.854 488 R HA 0.683 5.023 4.340 -0.000 0.000 0.271 488 R C -1.341 174.914 176.300 -0.075 0.000 0.994 488 R CA -0.783 55.088 56.100 -0.382 0.000 0.945 488 R CB 3.305 33.373 30.300 -0.386 0.000 1.194 488 R HN 0.526 nan 8.270 nan 0.000 0.476 489 F N 0.707 120.474 119.950 -0.305 0.000 2.581 489 F HA 0.530 5.057 4.527 -0.000 0.000 0.311 489 F C -2.012 173.541 175.800 -0.411 0.000 1.113 489 F CA -1.014 56.868 58.000 -0.197 0.000 0.935 489 F CB 1.081 40.135 39.000 0.091 0.000 1.232 489 F HN 0.343 nan 8.300 nan 0.000 0.445 490 Y N 3.103 123.271 120.300 -0.219 0.000 2.429 490 Y HA 0.791 5.341 4.550 -0.000 0.000 0.342 490 Y C -0.025 175.801 175.900 -0.123 0.000 1.004 490 Y CA -1.306 56.617 58.100 -0.295 0.000 1.075 490 Y CB 2.041 40.368 38.460 -0.221 0.000 1.214 490 Y HN 0.958 nan 8.280 nan 0.000 0.455 491 A N 1.827 124.652 122.820 0.008 0.000 2.288 491 A HA 0.723 5.043 4.320 -0.000 0.000 0.320 491 A C -0.055 177.476 177.584 -0.088 0.000 1.217 491 A CA -0.276 51.741 52.037 -0.034 0.000 0.840 491 A CB 1.106 19.975 19.000 -0.219 0.000 1.179 491 A HN 0.753 nan 8.150 nan 0.000 0.504 492 T N 0.901 115.374 114.554 -0.135 0.000 2.626 492 T HA 0.815 5.165 4.350 -0.000 0.000 0.279 492 T C 0.502 175.098 174.700 -0.172 0.000 0.983 492 T CA 1.060 63.079 62.100 -0.135 0.000 1.059 492 T CB 0.862 69.651 68.868 -0.132 0.000 1.396 492 T HN 2.638 nan 8.240 nan 0.000 0.519 493 G N 0.018 108.709 108.800 -0.181 0.000 2.508 493 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.220 493 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.220 493 G C -1.227 173.521 174.900 -0.254 0.000 1.287 493 G CA -0.139 44.837 45.100 -0.207 0.000 0.916 493 G HN 0.839 nan 8.290 nan 0.000 0.574 494 Y N 0.790 120.946 120.300 -0.241 0.000 2.310 494 Y HA 0.550 5.100 4.550 -0.000 0.000 0.326 494 Y C 1.558 177.286 175.900 -0.287 0.000 1.151 494 Y CA -0.005 57.942 58.100 -0.254 0.000 1.195 494 Y CB 0.953 39.222 38.460 -0.319 0.000 1.210 494 Y HN 0.687 nan 8.280 nan 0.000 0.483 495 I N -0.065 120.508 120.570 0.005 0.000 2.945 495 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 495 I C 0.257 176.314 176.117 -0.100 0.000 1.093 495 I CA -0.437 60.844 61.300 -0.032 0.000 1.336 495 I CB 1.079 39.080 38.000 0.003 0.000 1.435 495 I HN 0.462 nan 8.210 nan 0.000 0.593 496 S N 2.679 118.313 115.700 -0.110 0.000 2.525 496 S HA 0.608 5.078 4.470 -0.000 0.000 0.278 496 S C -0.215 174.368 174.600 -0.028 0.000 1.234 496 S CA -0.078 58.060 58.200 -0.104 0.000 1.058 496 S CB 0.631 63.713 63.200 -0.197 0.000 0.983 496 S HN 1.019 nan 8.310 nan 0.000 0.495 497 S N 3.171 118.891 115.700 0.034 0.000 2.709 497 S HA 0.949 5.419 4.470 -0.000 0.000 0.302 497 S C -0.478 174.112 174.600 -0.017 0.000 1.127 497 S CA -0.401 57.813 58.200 0.024 0.000 0.905 497 S CB 1.421 64.647 63.200 0.043 0.000 1.151 497 S HN 1.518 nan 8.310 nan 0.000 0.510 498 A N 0.582 123.345 122.820 -0.094 0.000 2.569 498 A HA 0.750 5.070 4.320 -0.000 0.000 0.290 498 A C -1.162 176.404 177.584 -0.030 0.000 1.136 498 A CA -0.788 51.077 52.037 -0.287 0.000 0.710 498 A CB 0.798 19.606 19.000 -0.320 0.000 1.303 498 A HN 1.201 nan 8.150 nan 0.000 0.413 499 F N 0.877 120.808 119.950 -0.031 0.000 2.456 499 F HA 0.527 5.054 4.527 -0.000 0.000 0.358 499 F C -0.170 175.713 175.800 0.138 0.000 1.095 499 F CA -0.672 57.428 58.000 0.167 0.000 1.216 499 F CB 0.686 39.851 39.000 0.274 0.000 1.125 499 F HN 0.471 nan 8.300 nan 0.000 0.549 500 L N 8.967 129.715 121.223 -0.792 0.000 2.290 500 L HA 0.458 4.797 4.340 -0.000 0.000 0.284 500 L C -1.253 175.141 176.870 -0.794 0.000 1.078 500 L CA -0.203 54.260 54.840 -0.628 0.000 0.815 500 L CB 0.106 41.975 42.059 -0.317 0.000 1.162 500 L HN 0.552 nan 8.230 nan 0.000 0.435 501 F N 2.955 122.659 119.950 -0.410 0.000 2.596 501 F HA 0.898 5.425 4.527 -0.000 0.000 0.311 501 F C -0.066 175.701 175.800 -0.055 0.000 1.116 501 F CA -0.456 57.425 58.000 -0.197 0.000 0.957 501 F CB 1.177 40.141 39.000 -0.060 0.000 1.250 501 F HN 0.857 nan 8.300 nan 0.000 0.444 502 G N 1.071 109.901 108.800 0.049 0.000 2.911 502 G HA2 0.461 4.421 3.960 -0.000 0.000 0.686 502 G HA3 0.461 4.421 3.960 -0.000 0.000 0.686 502 G C -0.538 174.348 174.900 -0.023 0.000 1.136 502 G CA -0.515 44.599 45.100 0.023 0.000 0.764 502 G HN 1.891 nan 8.290 nan 0.000 0.626 503 A N 2.090 124.914 122.820 0.007 0.000 3.117 503 A HA 0.577 4.897 4.320 -0.000 0.000 0.255 503 A C 1.817 179.387 177.584 -0.023 0.000 1.583 503 A CA 1.232 53.264 52.037 -0.008 0.000 1.234 503 A CB -0.810 18.195 19.000 0.008 0.000 1.076 503 A HN 1.972 nan 8.150 nan 0.000 0.653 504 T N -2.621 111.907 114.554 -0.044 0.000 2.698 504 T HA 0.224 4.574 4.350 -0.000 0.000 0.260 504 T C 1.981 176.616 174.700 -0.109 0.000 1.044 504 T CA 1.323 63.390 62.100 -0.056 0.000 1.149 504 T CB -0.645 68.206 68.868 -0.029 0.000 0.864 504 T HN 1.600 nan 8.240 nan 0.000 0.419 505 G N 1.889 110.623 108.800 -0.110 0.000 2.507 505 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.240 505 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.240 505 G C 1.110 175.883 174.900 -0.212 0.000 1.119 505 G CA 0.777 45.800 45.100 -0.128 0.000 0.664 505 G HN 0.594 nan 8.290 nan 0.000 0.516 506 K N -0.480 119.680 120.400 -0.400 0.000 2.365 506 K HA 0.189 4.509 4.320 -0.000 0.000 0.199 506 K C 1.269 177.436 176.600 -0.722 0.000 1.045 506 K CA 1.312 57.194 56.287 -0.674 0.000 0.962 506 K CB -0.053 31.805 32.500 -1.070 0.000 0.759 506 K HN 0.639 nan 8.250 nan 0.000 0.469 507 Y N -0.574 119.681 120.300 -0.075 0.000 2.641 507 Y HA 0.313 4.863 4.550 -0.000 0.000 0.248 507 Y C 0.716 176.575 175.900 -0.068 0.000 1.170 507 Y CA -0.517 57.537 58.100 -0.076 0.000 1.201 507 Y CB 1.640 40.036 38.460 -0.107 0.000 1.232 507 Y HN 0.079 nan 8.280 nan 0.000 0.537 508 G N 0.129 108.939 108.800 0.016 0.000 2.340 508 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.282 508 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.282 508 G C -1.889 173.004 174.900 -0.011 0.000 1.312 508 G CA -1.154 43.950 45.100 0.007 0.000 0.942 508 G HN -0.039 nan 8.290 nan 0.000 0.495 509 N N 0.297 118.996 118.700 -0.001 0.000 2.384 509 N HA 0.417 5.157 4.740 -0.000 0.000 0.301 509 N C -0.452 175.052 175.510 -0.009 0.000 1.133 509 N CA -0.556 52.495 53.050 0.001 0.000 0.853 509 N CB 2.066 40.574 38.487 0.035 0.000 1.241 509 N HN 0.696 nan 8.380 nan 0.000 0.502 510 Q N 1.262 121.054 119.800 -0.014 0.000 2.293 510 Q HA 0.150 4.490 4.340 -0.000 0.000 0.263 510 Q C 0.751 176.750 176.000 -0.001 0.000 1.002 510 Q CA -0.159 55.633 55.803 -0.018 0.000 0.910 510 Q CB 0.683 29.407 28.738 -0.022 0.000 1.185 510 Q HN 0.601 nan 8.270 nan 0.000 0.401 511 V N 0.159 120.070 119.914 -0.005 0.000 3.621 511 V HA 0.277 4.397 4.120 -0.000 0.000 0.263 511 V C 0.245 176.339 176.094 -0.000 0.000 1.272 511 V CA 0.748 63.048 62.300 -0.000 0.000 1.080 511 V CB 0.296 32.110 31.823 -0.014 0.000 0.816 511 V HN 0.646 nan 8.190 nan 0.000 0.451 512 S N -1.580 114.117 115.700 -0.004 0.000 2.703 512 S HA 0.390 4.860 4.470 -0.000 0.000 0.273 512 S C -0.785 173.815 174.600 -0.000 0.000 1.178 512 S CA -0.263 57.941 58.200 0.006 0.000 0.838 512 S CB 1.352 64.549 63.200 -0.005 0.000 1.178 512 S HN 0.140 nan 8.310 nan 0.000 0.494 513 E N 1.221 121.422 120.200 0.002 0.000 2.585 513 E HA 0.151 4.501 4.350 -0.000 0.000 0.252 513 E C -0.023 176.535 176.600 -0.069 0.000 0.981 513 E CA 0.723 57.047 56.400 -0.126 0.000 0.943 513 E CB -0.994 28.641 29.700 -0.109 0.000 0.923 513 E HN 0.800 nan 8.360 nan 0.000 0.486 514 H N -0.741 118.385 119.070 0.094 0.000 3.179 514 H HA -0.155 4.401 4.556 -0.000 0.000 0.250 514 H C 0.070 175.403 175.328 0.008 0.000 1.142 514 H CA 1.461 57.545 56.048 0.060 0.000 1.165 514 H CB -2.232 27.688 29.762 0.263 0.000 1.253 514 H HN 0.512 nan 8.280 nan 0.000 0.325 515 T N 1.421 116.022 114.554 0.078 0.000 2.772 515 T HA 0.472 4.822 4.350 -0.000 0.000 0.288 515 T C 0.466 175.152 174.700 -0.023 0.000 0.994 515 T CA -0.787 61.337 62.100 0.039 0.000 0.951 515 T CB 2.214 71.093 68.868 0.019 0.000 0.933 515 T HN 0.114 nan 8.240 nan 0.000 0.447 516 L N 3.694 124.884 121.223 -0.054 0.000 2.281 516 L HA 0.637 4.977 4.340 -0.000 0.000 0.285 516 L C 0.609 177.454 176.870 -0.042 0.000 1.074 516 L CA 0.051 54.849 54.840 -0.069 0.000 0.817 516 L CB 0.372 42.359 42.059 -0.120 0.000 1.168 516 L HN 0.784 nan 8.230 nan 0.000 0.434 517 G N 3.315 112.098 108.800 -0.028 0.000 2.356 517 G HA2 0.398 4.358 3.960 -0.000 0.000 0.300 517 G HA3 0.398 4.358 3.960 -0.000 0.000 0.300 517 G C -0.102 174.800 174.900 0.003 0.000 1.107 517 G CA -0.116 44.972 45.100 -0.020 0.000 0.960 517 G HN 0.765 nan 8.290 nan 0.000 0.418 518 T N 0.238 114.816 114.554 0.040 0.000 2.814 518 T HA 0.322 4.672 4.350 -0.000 0.000 0.297 518 T C 0.658 175.470 174.700 0.188 0.000 0.956 518 T CA -0.703 61.458 62.100 0.101 0.000 1.123 518 T CB 1.794 70.726 68.868 0.107 0.000 0.902 518 T HN 0.506 nan 8.240 nan 0.000 0.528 519 V N 5.749 125.732 119.914 0.116 0.000 2.901 519 V HA 0.332 4.452 4.120 -0.000 0.000 0.307 519 V C -0.008 176.118 176.094 0.052 0.000 1.084 519 V CA 0.462 62.788 62.300 0.043 0.000 1.184 519 V CB -0.371 31.459 31.823 0.013 0.000 0.941 519 V HN 1.243 nan 8.190 nan 0.000 0.493 520 H N 2.425 121.327 119.070 -0.279 0.000 2.935 520 H HA 0.454 5.010 4.556 -0.000 0.000 0.297 520 H C -1.056 174.036 175.328 -0.394 0.000 1.423 520 H CA -0.285 55.457 56.048 -0.510 0.000 1.161 520 H CB 1.191 30.222 29.762 -1.218 0.000 1.841 520 H HN 0.702 nan 8.280 nan 0.000 0.506 521 T N -0.722 113.585 114.554 -0.412 0.000 2.885 521 T HA 0.437 4.787 4.350 -0.000 0.000 0.285 521 T C -0.631 173.798 174.700 -0.452 0.000 1.019 521 T CA -0.793 61.075 62.100 -0.386 0.000 1.010 521 T CB 2.049 70.779 68.868 -0.230 0.000 1.022 521 T HN 0.634 nan 8.240 nan 0.000 0.466 522 H N 1.129 119.953 119.070 -0.409 0.000 2.499 522 H HA 0.739 5.295 4.556 -0.000 0.000 0.340 522 H C -0.183 175.097 175.328 -0.080 0.000 1.148 522 H CA -0.581 55.335 56.048 -0.219 0.000 1.215 522 H CB 2.028 31.591 29.762 -0.332 0.000 1.529 522 H HN 0.943 nan 8.280 nan 0.000 0.510 523 S N 0.564 116.410 115.700 0.244 0.000 2.565 523 S HA 0.764 5.234 4.470 -0.000 0.000 0.269 523 S C -1.158 173.640 174.600 0.331 0.000 1.153 523 S CA -0.992 57.419 58.200 0.353 0.000 0.835 523 S CB 2.197 65.571 63.200 0.290 0.000 1.122 523 S HN 0.846 nan 8.310 nan 0.000 0.462 524 A N 1.069 124.070 122.820 0.302 0.000 2.515 524 A HA 0.800 5.120 4.320 -0.000 0.000 0.298 524 A C -1.395 176.058 177.584 -0.219 0.000 1.059 524 A CA -0.571 51.372 52.037 -0.156 0.000 0.698 524 A CB 1.378 20.115 19.000 -0.439 0.000 1.289 524 A HN 0.948 nan 8.150 nan 0.000 0.404 525 H N 0.789 119.281 119.070 -0.964 0.000 2.495 525 H HA 0.686 5.242 4.556 -0.000 0.000 0.348 525 H C -1.800 172.995 175.328 -0.888 0.000 1.113 525 H CA -0.454 55.069 56.048 -0.875 0.000 1.195 525 H CB 1.087 29.930 29.762 -1.532 0.000 1.521 525 H HN 0.516 nan 8.280 nan 0.000 0.509 526 F N 2.580 122.238 119.950 -0.487 0.000 2.540 526 F HA 0.269 4.796 4.527 -0.000 0.000 0.317 526 F C 0.020 175.551 175.800 -0.448 0.000 1.104 526 F CA -0.867 56.927 58.000 -0.342 0.000 0.913 526 F CB 1.867 40.822 39.000 -0.074 0.000 1.170 526 F HN 0.298 nan 8.300 nan 0.000 0.450 527 K N 2.604 122.865 120.400 -0.230 0.000 2.227 527 K HA 0.677 4.997 4.320 -0.000 0.000 0.280 527 K C -1.548 174.835 176.600 -0.360 0.000 1.041 527 K CA -0.368 55.617 56.287 -0.502 0.000 0.905 527 K CB 1.065 33.269 32.500 -0.493 0.000 1.068 527 K HN 0.541 nan 8.250 nan 0.000 0.470 528 V N 4.376 124.028 119.914 -0.436 0.000 2.340 528 V HA 0.088 4.207 4.120 -0.000 0.000 0.277 528 V C -0.847 175.086 176.094 -0.268 0.000 1.017 528 V CA -0.865 61.275 62.300 -0.267 0.000 0.820 528 V CB 1.103 32.803 31.823 -0.205 0.000 1.028 528 V HN 0.781 nan 8.190 nan 0.000 0.436 529 D N 4.847 125.128 120.400 -0.199 0.000 2.524 529 D HA 0.318 4.958 4.640 -0.000 0.000 0.222 529 D C -0.018 176.261 176.300 -0.036 0.000 1.142 529 D CA -0.116 53.817 54.000 -0.112 0.000 0.973 529 D CB 0.434 41.221 40.800 -0.022 0.000 1.025 529 D HN 0.403 nan 8.370 nan 0.000 0.519 530 L N 2.143 123.334 121.223 -0.053 0.000 2.416 530 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 530 L C 0.196 177.077 176.870 0.017 0.000 1.161 530 L CA 0.226 55.049 54.840 -0.029 0.000 0.845 530 L CB 0.701 42.748 42.059 -0.020 0.000 1.119 530 L HN 0.189 nan 8.230 nan 0.000 0.464 531 D N 2.523 122.950 120.400 0.044 0.000 2.441 531 D HA 0.196 4.836 4.640 -0.000 0.000 0.287 531 D C -0.660 175.716 176.300 0.127 0.000 1.198 531 D CA -0.209 53.842 54.000 0.084 0.000 0.894 531 D CB 1.253 42.116 40.800 0.104 0.000 1.070 531 D HN 0.005 nan 8.370 nan 0.000 0.499 532 V N 1.160 121.171 119.914 0.162 0.000 2.421 532 V HA 0.322 4.442 4.120 -0.000 0.000 0.271 532 V C 1.264 177.568 176.094 0.350 0.000 1.031 532 V CA -0.574 61.887 62.300 0.268 0.000 1.032 532 V CB 0.256 32.285 31.823 0.343 0.000 1.009 532 V HN 0.698 nan 8.190 nan 0.000 0.477 533 A N 3.762 126.840 122.820 0.430 0.000 2.640 533 A HA 0.160 4.480 4.320 -0.000 0.000 0.300 533 A C 1.167 178.917 177.584 0.277 0.000 1.499 533 A CA 1.225 53.467 52.037 0.341 0.000 0.759 533 A CB -1.462 17.716 19.000 0.297 0.000 1.048 533 A HN 2.828 nan 8.150 nan 0.000 0.450 534 G N -2.680 106.255 108.800 0.225 0.000 2.462 534 G HA2 0.151 4.111 3.960 -0.000 0.000 0.685 534 G HA3 0.151 4.111 3.960 -0.000 0.000 0.685 534 G C 0.319 175.302 174.900 0.139 0.000 1.295 534 G CA -0.283 44.925 45.100 0.180 0.000 0.941 534 G HN 1.002 nan 8.290 nan 0.000 0.554 535 L N 0.151 121.429 121.223 0.091 0.000 2.044 535 L HA 0.084 4.424 4.340 -0.000 0.000 0.205 535 L C 1.835 178.709 176.870 0.006 0.000 1.075 535 L CA 1.386 56.248 54.840 0.036 0.000 0.747 535 L CB -0.549 41.511 42.059 0.001 0.000 0.903 535 L HN 0.604 nan 8.230 nan 0.000 0.435 536 E N 1.396 121.598 120.200 0.003 0.000 2.328 536 E HA 0.109 4.459 4.350 -0.000 0.000 0.265 536 E C -0.621 175.942 176.600 -0.062 0.000 1.057 536 E CA 0.028 56.361 56.400 -0.112 0.000 0.916 536 E CB 0.063 29.718 29.700 -0.074 0.000 0.993 536 E HN 0.357 nan 8.360 nan 0.000 0.446 537 N N 1.098 119.660 118.700 -0.230 0.000 2.321 537 N HA 0.515 5.255 4.740 -0.000 0.000 0.290 537 N C -0.923 174.461 175.510 -0.209 0.000 1.212 537 N CA -0.900 52.161 53.050 0.019 0.000 0.767 537 N CB 1.751 40.289 38.487 0.086 0.000 1.494 537 N HN 0.377 nan 8.380 nan 0.000 0.479 538 W N 0.658 121.961 121.300 0.004 0.000 2.902 538 W HA 0.568 5.228 4.660 -0.000 0.000 0.346 538 W C -1.015 175.393 176.519 -0.186 0.000 1.139 538 W CA -0.613 56.648 57.345 -0.139 0.000 1.139 538 W CB 1.698 31.016 29.460 -0.237 0.000 1.439 538 W HN 0.058 nan 8.180 nan 0.000 0.558 539 V N 1.224 121.071 119.914 -0.111 0.000 2.417 539 V HA 0.331 4.451 4.120 -0.000 0.000 0.291 539 V C -1.170 174.721 176.094 -0.339 0.000 1.024 539 V CA -0.469 61.749 62.300 -0.136 0.000 0.861 539 V CB 1.173 32.968 31.823 -0.047 0.000 0.985 539 V HN 0.423 nan 8.190 nan 0.000 0.436 540 W N 2.782 123.914 121.300 -0.281 0.000 2.587 540 W HA 0.765 5.425 4.660 -0.000 0.000 0.324 540 W C -0.051 176.305 176.519 -0.272 0.000 1.040 540 W CA -0.576 56.527 57.345 -0.404 0.000 1.222 540 W CB 2.034 30.884 29.460 -1.016 0.000 1.381 540 W HN 0.625 nan 8.180 nan 0.000 0.483 541 A N 3.033 125.990 122.820 0.229 0.000 2.287 541 A HA 0.700 5.020 4.320 -0.000 0.000 0.317 541 A C -0.772 176.968 177.584 0.260 0.000 1.220 541 A CA -0.608 51.565 52.037 0.226 0.000 0.835 541 A CB 0.756 19.880 19.000 0.206 0.000 1.180 541 A HN 0.679 nan 8.150 nan 0.000 0.500 542 E N 1.473 121.829 120.200 0.260 0.000 2.238 542 E HA 0.546 4.896 4.350 -0.000 0.000 0.267 542 E C -1.253 175.415 176.600 0.112 0.000 0.887 542 E CA -0.700 55.803 56.400 0.173 0.000 0.769 542 E CB 2.341 32.118 29.700 0.128 0.000 1.187 542 E HN 0.721 nan 8.360 nan 0.000 0.416 543 D N 0.914 121.342 120.400 0.047 0.000 2.921 543 D HA 0.370 5.010 4.640 -0.000 0.000 0.329 543 D C -1.263 175.013 176.300 -0.039 0.000 1.293 543 D CA -0.474 53.542 54.000 0.027 0.000 0.964 543 D CB 1.773 42.603 40.800 0.049 0.000 1.435 543 D HN 0.439 nan 8.370 nan 0.000 0.548 544 M N 0.053 119.619 119.600 -0.057 0.000 2.662 544 M HA 0.776 5.256 4.480 -0.000 0.000 0.310 544 M C -1.369 174.845 176.300 -0.143 0.000 1.204 544 M CA -0.805 54.412 55.300 -0.139 0.000 0.891 544 M CB 2.564 35.049 32.600 -0.192 0.000 1.732 544 M HN 0.115 nan 8.290 nan 0.000 0.467 545 V N 1.502 121.276 119.914 -0.233 0.000 3.147 545 V HA 0.618 4.738 4.120 -0.000 0.000 0.299 545 V C -2.129 173.786 176.094 -0.298 0.000 1.302 545 V CA -0.591 61.608 62.300 -0.168 0.000 1.015 545 V CB 2.797 34.593 31.823 -0.045 0.000 1.086 545 V HN 0.902 nan 8.190 nan 0.000 0.437 546 F N 3.723 123.678 119.950 0.009 0.000 2.450 546 F HA 0.773 5.300 4.527 -0.000 0.000 0.332 546 F C 0.021 175.823 175.800 0.004 0.000 1.093 546 F CA -0.678 57.325 58.000 0.005 0.000 1.003 546 F CB 2.164 41.166 39.000 0.004 0.000 1.151 546 F HN 0.261 nan 8.300 nan 0.000 0.474 547 V N 4.256 124.287 119.914 0.195 0.000 2.482 547 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 547 V C -2.320 173.826 176.094 0.086 0.000 1.026 547 V CA -2.178 60.185 62.300 0.106 0.000 0.856 547 V CB 1.803 33.663 31.823 0.060 0.000 1.001 547 V HN 0.493 nan 8.190 nan 0.000 0.424 548 P HA 0.310 nan 4.420 nan 0.000 0.267 548 P C -0.503 176.804 177.300 0.012 0.000 1.200 548 P CA 0.197 63.313 63.100 0.026 0.000 0.772 548 P CB 0.424 32.133 31.700 0.014 0.000 0.855 549 M N 0.971 120.567 119.600 -0.007 0.000 2.490 549 M HA 0.423 4.903 4.480 -0.000 0.000 0.286 549 M C -1.089 175.179 176.300 -0.053 0.000 1.185 549 M CA -0.833 54.453 55.300 -0.023 0.000 0.912 549 M CB 2.335 34.924 32.600 -0.019 0.000 1.744 549 M HN 0.260 nan 8.290 nan 0.000 0.494 550 A N 2.244 125.026 122.820 -0.063 0.000 2.477 550 A HA 0.467 4.787 4.320 -0.000 0.000 0.246 550 A C -0.141 177.344 177.584 -0.164 0.000 1.078 550 A CA -0.364 51.617 52.037 -0.094 0.000 0.770 550 A CB 0.025 18.979 19.000 -0.078 0.000 1.011 550 A HN 0.601 nan 8.150 nan 0.000 0.494 551 V N 6.049 125.814 119.914 -0.249 0.000 2.458 551 V HA 0.010 4.130 4.120 -0.000 0.000 0.287 551 V C -1.227 174.575 176.094 -0.485 0.000 1.009 551 V CA -0.373 61.615 62.300 -0.520 0.000 1.091 551 V CB 0.463 31.855 31.823 -0.718 0.000 0.960 551 V HN 0.847 nan 8.190 nan 0.000 0.476 552 P HA -0.183 nan 4.420 nan 0.000 0.217 552 P C 1.167 178.443 177.300 -0.039 0.000 1.162 552 P CA 1.966 64.995 63.100 -0.118 0.000 0.901 552 P CB -0.028 31.712 31.700 0.067 0.000 0.793 553 W N -1.698 119.617 121.300 0.024 0.000 3.405 553 W HA 0.506 5.166 4.660 -0.000 0.000 0.300 553 W C 0.035 176.578 176.519 0.039 0.000 1.286 553 W CA 0.118 57.478 57.345 0.024 0.000 1.762 553 W CB -0.447 29.023 29.460 0.016 0.000 1.087 553 W HN -0.107 nan 8.180 nan 0.000 0.703 554 S N 0.204 115.767 115.700 -0.227 0.000 2.855 554 S HA 0.193 4.663 4.470 -0.000 0.000 0.140 554 S C -2.181 172.360 174.600 -0.099 0.000 1.025 554 S CA -0.619 57.533 58.200 -0.079 0.000 1.053 554 S CB -0.093 63.121 63.200 0.023 0.000 1.695 554 S HN -0.163 nan 8.310 nan 0.000 0.502 555 P HA 0.062 nan 4.420 nan 0.000 0.228 555 P C 1.556 178.797 177.300 -0.098 0.000 1.151 555 P CA 1.476 64.519 63.100 -0.094 0.000 0.770 555 P CB 0.052 31.713 31.700 -0.064 0.000 0.786 556 E N -0.701 119.426 120.200 -0.122 0.000 2.331 556 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 556 E C 0.329 176.727 176.600 -0.338 0.000 1.008 556 E CA 1.230 57.495 56.400 -0.226 0.000 0.843 556 E CB -1.340 28.195 29.700 -0.275 0.000 0.761 556 E HN 0.487 nan 8.360 nan 0.000 0.507 557 H N -2.338 116.671 119.070 -0.101 0.000 2.616 557 H HA 0.593 5.149 4.556 -0.000 0.000 0.353 557 H C -0.602 174.649 175.328 -0.128 0.000 1.170 557 H CA -0.809 55.175 56.048 -0.107 0.000 1.212 557 H CB 1.824 31.513 29.762 -0.122 0.000 1.653 557 H HN 0.205 nan 8.280 nan 0.000 0.537 558 Q N 2.257 122.092 119.800 0.059 0.000 2.331 558 Q HA 0.444 4.784 4.340 -0.000 0.000 0.267 558 Q C -1.686 174.295 176.000 -0.032 0.000 1.006 558 Q CA -0.885 54.911 55.803 -0.012 0.000 0.818 558 Q CB 1.091 29.825 28.738 -0.007 0.000 1.276 558 Q HN 0.589 nan 8.270 nan 0.000 0.450 559 L N 0.511 121.702 121.223 -0.054 0.000 2.341 559 L HA 0.706 5.045 4.340 -0.000 0.000 0.267 559 L C -0.982 175.881 176.870 -0.012 0.000 1.009 559 L CA -1.027 53.787 54.840 -0.044 0.000 0.819 559 L CB 2.124 44.145 42.059 -0.064 0.000 1.323 559 L HN 0.428 nan 8.230 nan 0.000 0.425 560 Q N 2.776 122.576 119.800 0.001 0.000 2.390 560 Q HA 0.303 4.643 4.340 -0.000 0.000 0.249 560 Q C -0.835 175.284 176.000 0.198 0.000 0.996 560 Q CA -0.311 55.522 55.803 0.050 0.000 0.899 560 Q CB 1.442 30.114 28.738 -0.110 0.000 1.216 560 Q HN 0.505 nan 8.270 nan 0.000 0.465 561 R N 2.818 123.429 120.500 0.184 0.000 2.220 561 R HA 0.185 4.525 4.340 -0.000 0.000 0.340 561 R C -0.737 175.661 176.300 0.163 0.000 1.076 561 R CA -0.542 55.649 56.100 0.152 0.000 0.920 561 R CB -0.240 30.104 30.300 0.073 0.000 1.062 561 R HN 0.418 nan 8.270 nan 0.000 0.469 562 L N 3.734 125.041 121.223 0.139 0.000 2.455 562 L HA 0.223 4.562 4.340 -0.000 0.000 0.272 562 L C -0.724 176.059 176.870 -0.145 0.000 1.174 562 L CA 1.011 55.739 54.840 -0.187 0.000 0.869 562 L CB 0.564 42.503 42.059 -0.201 0.000 1.130 562 L HN 0.743 nan 8.230 nan 0.000 0.474 563 Q N 3.217 122.892 119.800 -0.208 0.000 2.456 563 Q HA 0.547 4.887 4.340 -0.000 0.000 0.283 563 Q C -1.460 174.454 176.000 -0.144 0.000 1.084 563 Q CA -1.141 54.586 55.803 -0.126 0.000 0.801 563 Q CB 2.471 31.167 28.738 -0.071 0.000 1.434 563 Q HN 0.459 nan 8.270 nan 0.000 0.419 564 V N 1.644 121.496 119.914 -0.102 0.000 2.432 564 V HA 0.301 4.421 4.120 -0.000 0.000 0.275 564 V C 0.201 176.267 176.094 -0.046 0.000 1.043 564 V CA -0.382 61.862 62.300 -0.093 0.000 0.925 564 V CB 1.114 32.879 31.823 -0.097 0.000 0.985 564 V HN 0.895 nan 8.190 nan 0.000 0.466 565 T N 3.348 117.886 114.554 -0.027 0.000 2.875 565 T HA 0.706 5.056 4.350 -0.000 0.000 0.284 565 T C -0.405 174.330 174.700 0.058 0.000 0.995 565 T CA -0.806 61.306 62.100 0.020 0.000 1.060 565 T CB 1.485 70.370 68.868 0.029 0.000 0.967 565 T HN 0.728 nan 8.240 nan 0.000 0.476 566 R N 1.401 121.960 120.500 0.098 0.000 2.621 566 R HA 0.616 4.956 4.340 -0.000 0.000 0.284 566 R C -1.460 174.975 176.300 0.226 0.000 0.998 566 R CA -0.832 55.371 56.100 0.172 0.000 0.895 566 R CB 1.541 31.927 30.300 0.144 0.000 1.195 566 R HN 0.791 nan 8.270 nan 0.000 0.450 567 K N 4.474 125.049 120.400 0.291 0.000 2.501 567 K HA 0.298 4.618 4.320 -0.000 0.000 0.252 567 K C -1.715 175.013 176.600 0.215 0.000 0.934 567 K CA -0.879 55.548 56.287 0.234 0.000 0.797 567 K CB 1.638 34.228 32.500 0.149 0.000 1.270 567 K HN 0.453 nan 8.250 nan 0.000 0.431 568 L N 5.290 126.519 121.223 0.010 0.000 2.290 568 L HA 0.355 4.695 4.340 -0.000 0.000 0.284 568 L C -0.992 175.761 176.870 -0.195 0.000 1.078 568 L CA -0.134 54.458 54.840 -0.413 0.000 0.815 568 L CB 0.728 42.388 42.059 -0.666 0.000 1.162 568 L HN 0.551 nan 8.230 nan 0.000 0.435 569 L N 6.015 127.124 121.223 -0.190 0.000 2.261 569 L HA 0.287 4.627 4.340 -0.000 0.000 0.289 569 L C 0.969 177.778 176.870 -0.102 0.000 1.059 569 L CA -0.064 54.723 54.840 -0.087 0.000 0.816 569 L CB 0.862 42.905 42.059 -0.027 0.000 1.191 569 L HN 0.779 nan 8.230 nan 0.000 0.431 570 E N 2.557 122.713 120.200 -0.073 0.000 2.099 570 E HA 0.125 4.475 4.350 -0.000 0.000 0.191 570 E C 0.285 176.847 176.600 -0.063 0.000 0.962 570 E CA 0.554 56.917 56.400 -0.061 0.000 0.826 570 E CB 0.458 30.136 29.700 -0.037 0.000 0.788 570 E HN 0.491 nan 8.360 nan 0.000 0.461 571 M N 0.629 120.196 119.600 -0.056 0.000 2.423 571 M HA 0.166 4.646 4.480 -0.000 0.000 0.335 571 M C 0.895 177.157 176.300 -0.064 0.000 1.177 571 M CA 0.153 55.419 55.300 -0.056 0.000 1.038 571 M CB 1.211 33.784 32.600 -0.046 0.000 1.641 571 M HN -0.004 nan 8.290 nan 0.000 0.455 572 E N 1.043 121.207 120.200 -0.060 0.000 2.114 572 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 572 E C 1.279 177.832 176.600 -0.078 0.000 1.008 572 E CA 1.730 58.094 56.400 -0.059 0.000 0.810 572 E CB 0.272 29.941 29.700 -0.053 0.000 0.739 572 E HN 0.570 nan 8.360 nan 0.000 0.456 573 E N 0.353 120.508 120.200 -0.075 0.000 2.204 573 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 573 E C 1.883 178.407 176.600 -0.127 0.000 0.989 573 E CA 0.819 57.171 56.400 -0.080 0.000 0.824 573 E CB -0.175 29.494 29.700 -0.053 0.000 0.756 573 E HN 0.445 nan 8.360 nan 0.000 0.477 574 Q N 0.142 119.867 119.800 -0.126 0.000 2.435 574 Q HA 0.068 4.408 4.340 -0.000 0.000 0.207 574 Q C 1.448 177.270 176.000 -0.297 0.000 0.956 574 Q CA 0.893 56.598 55.803 -0.163 0.000 0.917 574 Q CB 0.239 28.928 28.738 -0.082 0.000 0.997 574 Q HN 0.189 nan 8.270 nan 0.000 0.497 575 A N 0.128 122.795 122.820 -0.255 0.000 2.465 575 A HA 0.517 4.837 4.320 -0.000 0.000 0.255 575 A C 0.468 177.856 177.584 -0.327 0.000 1.274 575 A CA -0.118 51.774 52.037 -0.242 0.000 0.920 575 A CB 0.410 19.400 19.000 -0.017 0.000 1.033 575 A HN 0.166 nan 8.150 nan 0.000 0.516 576 A N 0.355 122.920 122.820 -0.425 0.000 2.412 576 A HA 0.669 4.989 4.320 -0.000 0.000 0.334 576 A C -0.903 176.589 177.584 -0.153 0.000 1.419 576 A CA -0.370 51.579 52.037 -0.147 0.000 0.930 576 A CB -0.491 18.489 19.000 -0.034 0.000 1.149 576 A HN 0.270 nan 8.150 nan 0.000 0.515 577 F N 3.148 123.270 119.950 0.286 0.000 2.350 577 F HA 0.367 4.894 4.527 -0.000 0.000 0.365 577 F C 0.212 176.154 175.800 0.238 0.000 1.122 577 F CA -0.695 57.439 58.000 0.223 0.000 1.139 577 F CB 0.845 39.942 39.000 0.163 0.000 1.220 577 F HN 0.300 nan 8.300 nan 0.000 0.499 578 L N 3.232 124.603 121.223 0.247 0.000 2.467 578 L HA 0.124 4.464 4.340 -0.000 0.000 0.270 578 L C 0.262 177.192 176.870 0.099 0.000 1.205 578 L CA -0.046 54.820 54.840 0.042 0.000 0.828 578 L CB 0.274 42.292 42.059 -0.069 0.000 1.101 578 L HN 0.261 nan 8.230 nan 0.000 0.479 579 V N 2.708 122.644 119.914 0.037 0.000 2.585 579 V HA 0.363 4.483 4.120 -0.000 0.000 0.296 579 V C 1.159 177.277 176.094 0.040 0.000 1.035 579 V CA 1.469 63.805 62.300 0.060 0.000 1.084 579 V CB 0.286 32.132 31.823 0.038 0.000 0.953 579 V HN 1.026 nan 8.190 nan 0.000 0.483 580 G N 4.161 112.994 108.800 0.055 0.000 2.279 580 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.223 580 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.223 580 G C 0.551 175.485 174.900 0.057 0.000 1.015 580 G CA 0.135 45.261 45.100 0.043 0.000 0.621 580 G HN 0.734 nan 8.290 nan 0.000 0.506 581 S N 1.267 117.017 115.700 0.083 0.000 2.573 581 S HA 0.534 5.004 4.470 -0.000 0.000 0.277 581 S C 0.927 175.588 174.600 0.101 0.000 1.346 581 S CA 0.279 58.546 58.200 0.112 0.000 1.034 581 S CB 1.144 64.455 63.200 0.185 0.000 0.879 581 S HN 1.622 nan 8.310 nan 0.000 0.528 582 A N 1.927 124.805 122.820 0.096 0.000 2.445 582 A HA 0.498 4.817 4.320 -0.000 0.000 0.242 582 A C 0.460 178.076 177.584 0.052 0.000 1.075 582 A CA -0.117 51.959 52.037 0.065 0.000 0.777 582 A CB 0.202 nan 19.000 nan 0.000 1.013 582 A HN 0.671 nan 8.150 nan 0.000 0.493 583 T N 2.359 116.886 114.554 -0.045 0.000 2.861 583 T HA 0.618 4.968 4.350 -0.000 0.000 0.287 583 T C -2.862 171.735 174.700 -0.170 0.000 1.003 583 T CA -1.597 60.361 62.100 -0.236 0.000 0.977 583 T CB 0.878 69.580 68.868 -0.277 0.000 0.996 583 T HN 0.451 nan 8.240 nan 0.000 0.448 584 P HA 0.240 nan 4.420 nan 0.000 0.264 584 P C 0.628 177.900 177.300 -0.046 0.000 1.183 584 P CA -0.086 62.979 63.100 -0.057 0.000 0.763 584 P CB 0.491 32.181 31.700 -0.017 0.000 0.807 585 R N 1.242 121.762 120.500 0.033 0.000 2.148 585 R HA -0.055 4.284 4.340 -0.000 0.000 0.227 585 R C 0.009 176.334 176.300 0.041 0.000 1.103 585 R CA 1.220 57.348 56.100 0.046 0.000 0.983 585 R CB -0.077 30.292 30.300 0.115 0.000 0.874 585 R HN 0.504 nan 8.270 nan 0.000 0.451 586 Y N -0.248 120.019 120.300 -0.054 0.000 2.326 586 Y HA 0.393 4.943 4.550 -0.000 0.000 0.331 586 Y C -0.810 175.118 175.900 0.048 0.000 0.962 586 Y CA -0.805 57.255 58.100 -0.067 0.000 1.167 586 Y CB 1.650 40.021 38.460 -0.150 0.000 1.148 586 Y HN -0.111 nan 8.280 nan 0.000 0.463 587 L N 6.730 128.041 121.223 0.146 0.000 2.409 587 L HA 0.671 5.011 4.340 -0.000 0.000 0.272 587 L C -1.724 175.313 176.870 0.278 0.000 0.980 587 L CA -0.655 54.295 54.840 0.184 0.000 0.826 587 L CB 1.183 43.274 42.059 0.053 0.000 1.268 587 L HN 0.639 nan 8.230 nan 0.000 0.407 588 Y N 2.953 123.354 120.300 0.169 0.000 2.597 588 Y HA 0.773 5.323 4.550 -0.000 0.000 0.340 588 Y C -1.899 174.183 175.900 0.304 0.000 1.097 588 Y CA -1.485 56.737 58.100 0.204 0.000 1.037 588 Y CB 1.220 39.788 38.460 0.181 0.000 1.305 588 Y HN 0.334 nan 8.280 nan 0.000 0.463 589 L N 2.878 124.331 121.223 0.383 0.000 2.307 589 L HA 0.914 5.254 4.340 -0.000 0.000 0.284 589 L C -0.226 176.932 176.870 0.479 0.000 1.023 589 L CA -0.450 54.581 54.840 0.319 0.000 0.810 589 L CB 1.592 43.785 42.059 0.223 0.000 1.231 589 L HN 0.967 nan 8.230 nan 0.000 0.423 590 A N 1.717 124.845 122.820 0.512 0.000 2.556 590 A HA 0.778 5.098 4.320 -0.000 0.000 0.294 590 A C -0.671 177.244 177.584 0.552 0.000 1.091 590 A CA -0.509 51.880 52.037 0.586 0.000 0.704 590 A CB 1.760 21.201 19.000 0.735 0.000 1.300 590 A HN 0.500 nan 8.150 nan 0.000 0.406 591 S N -0.350 115.625 115.700 0.459 0.000 2.614 591 S HA 0.159 4.629 4.470 -0.000 0.000 0.265 591 S C 1.314 176.058 174.600 0.240 0.000 1.303 591 S CA -0.220 58.217 58.200 0.395 0.000 1.000 591 S CB 0.546 63.925 63.200 0.297 0.000 0.935 591 S HN 0.746 nan 8.310 nan 0.000 0.551 592 N N 1.424 120.173 118.700 0.082 0.000 2.061 592 N HA -0.109 4.631 4.740 -0.000 0.000 0.193 592 N C 0.377 175.753 175.510 -0.224 0.000 1.030 592 N CA 1.403 54.258 53.050 -0.324 0.000 0.856 592 N CB -0.656 37.632 38.487 -0.332 0.000 1.023 592 N HN 0.633 nan 8.380 nan 0.000 0.424 593 H N -0.788 118.317 119.070 0.059 0.000 2.671 593 H HA 0.254 4.810 4.556 -0.000 0.000 0.372 593 H C 0.171 175.498 175.328 -0.001 0.000 1.227 593 H CA 0.163 56.219 56.048 0.014 0.000 1.426 593 H CB 0.556 30.327 29.762 0.015 0.000 1.480 593 H HN 0.006 nan 8.280 nan 0.000 0.611 594 S N 0.765 116.521 115.700 0.093 0.000 2.677 594 S HA 0.204 4.674 4.470 -0.000 0.000 0.304 594 S C 0.384 174.951 174.600 -0.055 0.000 1.108 594 S CA -1.064 57.141 58.200 0.010 0.000 0.944 594 S CB 1.548 64.728 63.200 -0.033 0.000 1.127 594 S HN 0.747 nan 8.310 nan 0.000 0.511 595 N N 0.975 119.627 118.700 -0.081 0.000 2.418 595 N HA 0.203 4.943 4.740 -0.000 0.000 0.283 595 N C 0.718 176.054 175.510 -0.291 0.000 1.267 595 N CA -0.589 52.357 53.050 -0.175 0.000 0.975 595 N CB 0.086 38.495 38.487 -0.130 0.000 1.167 595 N HN 0.590 nan 8.380 nan 0.000 0.581 596 K N -0.719 119.354 120.400 -0.545 0.000 2.113 596 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 596 K C 0.382 176.503 176.600 -0.798 0.000 1.047 596 K CA 1.519 57.294 56.287 -0.854 0.000 0.928 596 K CB -0.171 31.502 32.500 -1.378 0.000 0.716 596 K HN 0.673 nan 8.250 nan 0.000 0.446 597 W N 0.142 121.420 121.300 -0.036 0.000 3.305 597 W HA 0.319 4.979 4.660 -0.000 0.000 0.392 597 W C 0.829 177.262 176.519 -0.143 0.000 1.121 597 W CA -0.146 57.168 57.345 -0.051 0.000 1.909 597 W CB 0.229 29.693 29.460 0.006 0.000 1.065 597 W HN 0.212 nan 8.180 nan 0.000 0.714 598 G N 0.656 109.417 108.800 -0.066 0.000 2.143 598 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.248 598 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.248 598 G C 0.004 174.733 174.900 -0.285 0.000 0.991 598 G CA -0.228 44.770 45.100 -0.169 0.000 0.689 598 G HN 0.447 nan 8.290 nan 0.000 0.522 599 H N 0.267 119.314 119.070 -0.039 0.000 2.463 599 H HA 0.379 4.935 4.556 -0.000 0.000 0.332 599 H C -2.330 172.957 175.328 -0.068 0.000 1.127 599 H CA -1.886 54.112 56.048 -0.084 0.000 1.238 599 H CB 1.704 31.389 29.762 -0.127 0.000 1.478 599 H HN 0.048 nan 8.280 nan 0.000 0.499 600 P HA 0.023 nan 4.420 nan 0.000 0.265 600 P C -0.152 177.246 177.300 0.163 0.000 1.193 600 P CA 0.147 63.312 63.100 0.108 0.000 0.765 600 P CB 0.595 32.378 31.700 0.140 0.000 0.823 601 R N 2.184 122.793 120.500 0.183 0.000 2.288 601 R HA 0.486 4.826 4.340 -0.000 0.000 0.330 601 R C 0.771 177.320 176.300 0.415 0.000 1.069 601 R CA -0.044 56.181 56.100 0.208 0.000 0.941 601 R CB 0.246 30.595 30.300 0.082 0.000 0.998 601 R HN 0.580 nan 8.270 nan 0.000 0.452 602 G N 1.981 111.028 108.800 0.411 0.000 2.519 602 G HA2 0.488 4.448 3.960 -0.000 0.000 0.307 602 G HA3 0.488 4.448 3.960 -0.000 0.000 0.307 602 G C -1.746 173.383 174.900 0.380 0.000 1.266 602 G CA -0.371 45.041 45.100 0.519 0.000 0.970 602 G HN 0.400 nan 8.290 nan 0.000 0.481 603 Y N -0.057 120.419 120.300 0.294 0.000 2.462 603 Y HA 0.622 5.172 4.550 -0.000 0.000 0.346 603 Y C 0.354 176.390 175.900 0.227 0.000 0.976 603 Y CA -0.843 57.349 58.100 0.154 0.000 1.044 603 Y CB 2.472 40.941 38.460 0.015 0.000 1.230 603 Y HN 0.536 nan 8.280 nan 0.000 0.455 604 R N 4.718 125.360 120.500 0.236 0.000 2.562 604 R HA 0.618 4.958 4.340 -0.000 0.000 0.298 604 R C -1.632 174.753 176.300 0.142 0.000 0.961 604 R CA -0.570 55.632 56.100 0.170 0.000 0.881 604 R CB 0.946 31.218 30.300 -0.047 0.000 1.159 604 R HN 0.774 nan 8.270 nan 0.000 0.450 605 I N 3.728 124.370 120.570 0.121 0.000 2.342 605 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 605 I C -0.030 176.111 176.117 0.041 0.000 1.010 605 I CA -0.239 61.118 61.300 0.096 0.000 1.308 605 I CB 1.595 39.617 38.000 0.035 0.000 1.400 605 I HN 0.486 nan 8.210 nan 0.000 0.488 606 Q N 7.477 127.334 119.800 0.094 0.000 2.321 606 Q HA 0.528 4.868 4.340 -0.000 0.000 0.270 606 Q C -1.448 174.648 176.000 0.160 0.000 1.032 606 Q CA -0.757 55.076 55.803 0.049 0.000 0.784 606 Q CB 2.006 30.739 28.738 -0.009 0.000 1.264 606 Q HN 0.624 nan 8.270 nan 0.000 0.448 607 M N 3.766 123.423 119.600 0.095 0.000 2.149 607 M HA 0.411 4.891 4.480 -0.000 0.000 0.342 607 M C -0.387 175.976 176.300 0.104 0.000 1.068 607 M CA -0.375 55.001 55.300 0.127 0.000 0.991 607 M CB 1.385 34.030 32.600 0.075 0.000 1.596 607 M HN 0.615 nan 8.290 nan 0.000 0.439 608 L N 2.847 124.135 121.223 0.109 0.000 2.328 608 L HA 0.690 5.030 4.340 -0.000 0.000 0.280 608 L C -0.008 176.882 176.870 0.034 0.000 1.111 608 L CA -0.101 54.768 54.840 0.047 0.000 0.909 608 L CB 0.093 42.161 42.059 0.014 0.000 1.277 608 L HN 0.803 nan 8.230 nan 0.000 0.433 609 S N 1.495 117.227 115.700 0.053 0.000 2.546 609 S HA 0.791 5.260 4.470 -0.000 0.000 0.272 609 S C -0.332 174.313 174.600 0.076 0.000 1.140 609 S CA 0.417 58.669 58.200 0.087 0.000 0.920 609 S CB 1.215 64.505 63.200 0.151 0.000 1.083 609 S HN 1.733 nan 8.310 nan 0.000 0.476 610 F N 1.556 121.562 119.950 0.094 0.000 2.925 610 F HA 0.791 5.318 4.527 -0.000 0.000 0.302 610 F C 0.912 176.794 175.800 0.137 0.000 1.189 610 F CA -0.548 57.506 58.000 0.091 0.000 1.346 610 F CB -1.135 37.897 39.000 0.054 0.000 0.954 610 F HN 1.095 nan 8.300 nan 0.000 0.506 611 A N 1.207 124.110 122.820 0.139 0.000 2.584 611 A HA 0.438 4.757 4.320 -0.000 0.000 0.239 611 A C 1.266 178.904 177.584 0.090 0.000 1.043 611 A CA 0.562 52.683 52.037 0.139 0.000 0.756 611 A CB -0.560 18.524 19.000 0.140 0.000 0.963 611 A HN 1.708 nan 8.150 nan 0.000 0.511 612 G N 1.142 109.980 108.800 0.064 0.000 2.606 612 G HA2 0.426 4.386 3.960 -0.000 0.000 0.252 612 G HA3 0.426 4.386 3.960 -0.000 0.000 0.252 612 G C 0.092 174.993 174.900 0.001 0.000 1.206 612 G CA -0.202 44.909 45.100 0.017 0.000 0.861 612 G HN 0.986 nan 8.290 nan 0.000 0.561 613 E N 0.986 121.179 120.200 -0.012 0.000 2.376 613 E HA 0.193 4.543 4.350 -0.000 0.000 0.266 613 E C -1.688 174.890 176.600 -0.036 0.000 1.009 613 E CA -1.146 55.243 56.400 -0.019 0.000 0.902 613 E CB 0.608 30.297 29.700 -0.018 0.000 0.972 613 E HN 0.236 nan 8.360 nan 0.000 0.439 614 P HA 0.052 nan 4.420 nan 0.000 0.276 614 P C -0.648 176.628 177.300 -0.041 0.000 1.244 614 P CA -0.595 62.470 63.100 -0.058 0.000 0.801 614 P CB 0.620 32.274 31.700 -0.076 0.000 1.006 615 L N 3.716 124.928 121.223 -0.018 0.000 2.578 615 L HA 0.106 4.446 4.340 -0.000 0.000 0.279 615 L C -2.047 174.813 176.870 -0.016 0.000 1.227 615 L CA -0.889 53.960 54.840 0.015 0.000 0.900 615 L CB -1.044 41.090 42.059 0.126 0.000 1.144 615 L HN 0.304 nan 8.230 nan 0.000 0.496 616 P HA 0.028 nan 4.420 nan 0.000 0.267 616 P C -0.034 177.235 177.300 -0.053 0.000 1.200 616 P CA -0.041 63.038 63.100 -0.035 0.000 0.772 616 P CB 0.454 32.142 31.700 -0.021 0.000 0.855 617 Q N 1.422 121.183 119.800 -0.065 0.000 2.124 617 Q HA -0.211 4.128 4.340 -0.000 0.000 0.202 617 Q C 1.436 177.403 176.000 -0.055 0.000 0.977 617 Q CA 1.337 57.094 55.803 -0.077 0.000 0.850 617 Q CB -0.471 28.223 28.738 -0.073 0.000 0.901 617 Q HN 0.460 nan 8.270 nan 0.000 0.429 618 N N 0.752 119.430 118.700 -0.037 0.000 2.242 618 N HA -0.135 4.605 4.740 -0.000 0.000 0.193 618 N C 0.367 175.870 175.510 -0.012 0.000 1.000 618 N CA 0.860 53.898 53.050 -0.021 0.000 0.885 618 N CB -0.163 38.315 38.487 -0.014 0.000 0.988 618 N HN 0.023 nan 8.380 nan 0.000 0.444 619 S N -0.698 114.991 115.700 -0.019 0.000 2.499 619 S HA 0.179 4.649 4.470 -0.000 0.000 0.275 619 S C 1.338 175.928 174.600 -0.017 0.000 1.257 619 S CA -0.290 57.909 58.200 -0.002 0.000 1.050 619 S CB 0.577 63.775 63.200 -0.003 0.000 0.937 619 S HN 0.372 nan 8.310 nan 0.000 0.490 620 S N 5.695 121.426 115.700 0.053 0.000 2.400 620 S HA -0.193 4.277 4.470 -0.000 0.000 0.232 620 S C 1.843 176.449 174.600 0.010 0.000 1.025 620 S CA 1.189 59.446 58.200 0.095 0.000 0.993 620 S CB -0.541 62.807 63.200 0.247 0.000 0.808 620 S HN 0.827 nan 8.310 nan 0.000 0.478 621 M N 1.541 121.098 119.600 -0.071 0.000 2.279 621 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 621 M C 2.304 178.225 176.300 -0.632 0.000 1.062 621 M CA 1.374 56.429 55.300 -0.408 0.000 1.099 621 M CB -0.514 31.939 32.600 -0.246 0.000 1.394 621 M HN 0.520 nan 8.290 nan 0.000 0.426 622 A N 0.784 123.293 122.820 -0.518 0.000 1.940 622 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 622 A C 2.283 179.377 177.584 -0.817 0.000 1.176 622 A CA 2.260 53.841 52.037 -0.759 0.000 0.631 622 A CB -1.193 17.595 19.000 -0.353 0.000 0.814 622 A HN 0.627 nan 8.150 nan 0.000 0.446 623 R N -0.553 119.657 120.500 -0.484 0.000 2.211 623 R HA -0.059 4.281 4.340 -0.000 0.000 0.240 623 R C 2.288 178.355 176.300 -0.388 0.000 1.144 623 R CA 2.062 57.958 56.100 -0.339 0.000 0.992 623 R CB -2.034 28.154 30.300 -0.187 0.000 0.869 623 R HN 0.790 nan 8.270 nan 0.000 0.462 624 G N -0.363 108.088 108.800 -0.582 0.000 2.598 624 G HA2 0.180 4.139 3.960 -0.000 0.000 0.215 624 G HA3 0.180 4.139 3.960 -0.000 0.000 0.215 624 G C 0.541 175.289 174.900 -0.253 0.000 1.131 624 G CA 0.790 45.654 45.100 -0.393 0.000 0.785 624 G HN 0.889 nan 8.290 nan 0.000 0.539 625 F N -0.894 118.905 119.950 -0.251 0.000 2.514 625 F HA 0.340 4.867 4.527 -0.000 0.000 0.374 625 F C 1.104 176.466 175.800 -0.730 0.000 1.532 625 F CA -0.810 56.872 58.000 -0.531 0.000 1.082 625 F CB -0.368 38.258 39.000 -0.623 0.000 1.610 625 F HN -0.030 nan 8.300 nan 0.000 0.531 626 S N -0.137 115.353 115.700 -0.349 0.000 2.447 626 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 626 S C 1.675 176.275 174.600 0.001 0.000 1.006 626 S CA 0.733 58.827 58.200 -0.177 0.000 0.957 626 S CB -0.824 62.347 63.200 -0.049 0.000 0.773 626 S HN 0.788 nan 8.310 nan 0.000 0.507 627 W N 2.014 123.312 121.300 -0.004 0.000 2.359 627 W HA -0.051 4.608 4.660 -0.000 0.000 0.275 627 W C 1.497 177.961 176.519 -0.092 0.000 1.217 627 W CA 0.935 58.114 57.345 -0.277 0.000 1.196 627 W CB -0.852 27.735 29.460 -1.456 0.000 1.129 627 W HN 0.409 nan 8.180 nan 0.000 0.566 628 E N 1.376 121.211 120.200 -0.609 0.000 2.171 628 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 628 E C 2.151 178.693 176.600 -0.097 0.000 0.997 628 E CA 1.633 57.775 56.400 -0.429 0.000 0.810 628 E CB -0.155 29.215 29.700 -0.550 0.000 0.738 628 E HN 0.382 nan 8.360 nan 0.000 0.467 629 R N -0.877 119.554 120.500 -0.116 0.000 2.235 629 R HA -0.048 4.292 4.340 -0.000 0.000 0.213 629 R C 0.154 176.289 176.300 -0.275 0.000 1.059 629 R CA 0.488 56.446 56.100 -0.238 0.000 0.997 629 R CB 0.027 30.082 30.300 -0.409 0.000 0.884 629 R HN 0.123 nan 8.270 nan 0.000 0.462 630 Y N 0.133 120.520 120.300 0.145 0.000 2.420 630 Y HA 0.159 4.709 4.550 -0.000 0.000 0.334 630 Y C 1.369 177.419 175.900 0.249 0.000 1.094 630 Y CA -0.795 57.437 58.100 0.221 0.000 1.126 630 Y CB 1.379 40.026 38.460 0.312 0.000 1.217 630 Y HN -0.180 nan 8.280 nan 0.000 0.462 631 Q N 1.186 121.225 119.800 0.398 0.000 2.165 631 Q HA 0.157 4.497 4.340 -0.000 0.000 0.197 631 Q C -0.634 175.564 176.000 0.329 0.000 0.952 631 Q CA 0.582 56.572 55.803 0.312 0.000 0.848 631 Q CB 0.652 29.527 28.738 0.228 0.000 0.931 631 Q HN 0.530 nan 8.270 nan 0.000 0.470 632 L N -1.263 120.207 121.223 0.412 0.000 2.556 632 L HA 0.736 5.076 4.340 -0.000 0.000 0.257 632 L C -2.281 174.854 176.870 0.441 0.000 0.955 632 L CA -0.668 54.392 54.840 0.367 0.000 0.850 632 L CB 2.290 44.518 42.059 0.281 0.000 1.398 632 L HN -0.069 nan 8.230 nan 0.000 0.412 633 A N 3.330 126.380 122.820 0.384 0.000 2.488 633 A HA 0.766 5.086 4.320 -0.000 0.000 0.295 633 A C -1.895 175.906 177.584 0.361 0.000 1.045 633 A CA -0.488 51.739 52.037 0.317 0.000 0.703 633 A CB 1.752 20.886 19.000 0.223 0.000 1.271 633 A HN 0.672 nan 8.150 nan 0.000 0.400 634 V N 2.402 122.455 119.914 0.232 0.000 2.417 634 V HA 0.801 4.921 4.120 -0.000 0.000 0.291 634 V C 0.390 176.586 176.094 0.169 0.000 1.024 634 V CA 0.181 62.597 62.300 0.193 0.000 0.861 634 V CB 1.520 33.407 31.823 0.107 0.000 0.985 634 V HN 1.230 nan 8.190 nan 0.000 0.436 635 T N 1.351 116.044 114.554 0.232 0.000 2.901 635 T HA 0.541 4.891 4.350 -0.000 0.000 0.293 635 T C -0.589 174.175 174.700 0.107 0.000 1.084 635 T CA -0.904 61.300 62.100 0.173 0.000 1.008 635 T CB 1.674 70.715 68.868 0.288 0.000 1.170 635 T HN 0.504 nan 8.240 nan 0.000 0.509 636 Q N 1.002 120.823 119.800 0.035 0.000 2.330 636 Q HA 0.141 4.481 4.340 -0.000 0.000 0.279 636 Q C 0.278 176.291 176.000 0.023 0.000 1.024 636 Q CA -0.031 55.766 55.803 -0.010 0.000 0.900 636 Q CB 0.756 29.468 28.738 -0.043 0.000 1.221 636 Q HN 0.413 nan 8.270 nan 0.000 0.396 637 R N 2.626 123.123 120.500 -0.004 0.000 2.438 637 R HA 0.171 4.511 4.340 -0.000 0.000 0.287 637 R C -0.856 175.431 176.300 -0.022 0.000 1.077 637 R CA 0.325 56.427 56.100 0.003 0.000 1.034 637 R CB 0.508 30.788 30.300 -0.032 0.000 0.993 637 R HN 0.509 nan 8.270 nan 0.000 0.459 638 K N 2.856 123.247 120.400 -0.016 0.000 2.525 638 K HA 0.119 4.439 4.320 -0.000 0.000 0.254 638 K C 0.035 176.624 176.600 -0.020 0.000 0.934 638 K CA -0.874 55.388 56.287 -0.041 0.000 0.802 638 K CB 1.980 34.428 32.500 -0.087 0.000 1.295 638 K HN 0.485 nan 8.250 nan 0.000 0.433 639 E N 1.740 121.934 120.200 -0.011 0.000 2.118 639 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 639 E C 1.227 177.837 176.600 0.018 0.000 0.992 639 E CA 1.416 57.827 56.400 0.018 0.000 0.804 639 E CB 0.292 30.000 29.700 0.014 0.000 0.741 639 E HN 0.640 nan 8.360 nan 0.000 0.458 640 E N 0.943 121.133 120.200 -0.017 0.000 2.512 640 E HA -0.086 4.263 4.350 -0.000 0.000 0.195 640 E C -0.107 176.452 176.600 -0.068 0.000 1.083 640 E CA 0.373 56.758 56.400 -0.025 0.000 0.873 640 E CB -0.134 29.545 29.700 -0.035 0.000 0.897 640 E HN 0.195 nan 8.360 nan 0.000 0.514 641 E N 1.509 121.642 120.200 -0.111 0.000 3.896 641 E HA 0.149 4.499 4.350 -0.000 0.000 0.217 641 E C -1.954 174.688 176.600 0.070 0.000 1.150 641 E CA -1.414 54.824 56.400 -0.270 0.000 1.338 641 E CB 1.163 30.396 29.700 -0.779 0.000 1.242 641 E HN 0.138 nan 8.360 nan 0.000 0.435 642 P HA 0.029 nan 4.420 nan 0.000 0.231 642 P C 0.017 177.574 177.300 0.429 0.000 1.168 642 P CA 0.437 63.708 63.100 0.285 0.000 0.779 642 P CB 0.649 32.488 31.700 0.231 0.000 0.844 643 S N -1.203 114.797 115.700 0.500 0.000 2.537 643 S HA 0.265 4.735 4.470 -0.000 0.000 0.270 643 S C 0.699 175.574 174.600 0.457 0.000 1.142 643 S CA -0.345 58.151 58.200 0.493 0.000 0.870 643 S CB 1.736 65.128 63.200 0.319 0.000 1.112 643 S HN 0.026 nan 8.310 nan 0.000 0.466 644 S N 0.393 116.239 115.700 0.244 0.000 2.501 644 S HA 0.220 4.690 4.470 -0.000 0.000 0.220 644 S C 0.841 175.431 174.600 -0.016 0.000 0.997 644 S CA 0.173 58.320 58.200 -0.088 0.000 0.919 644 S CB 0.115 63.108 63.200 -0.345 0.000 0.778 644 S HN 0.476 nan 8.310 nan 0.000 0.523 645 S N -0.121 115.618 115.700 0.065 0.000 2.811 645 S HA 0.785 5.255 4.470 -0.000 0.000 0.311 645 S C -1.251 173.423 174.600 0.123 0.000 1.152 645 S CA -0.365 57.898 58.200 0.104 0.000 0.864 645 S CB 1.906 65.153 63.200 0.079 0.000 1.226 645 S HN 0.404 nan 8.310 nan 0.000 0.541 646 S N -0.127 115.627 115.700 0.091 0.000 2.535 646 S HA 0.355 4.825 4.470 -0.000 0.000 0.272 646 S C 0.258 174.802 174.600 -0.092 0.000 1.149 646 S CA -0.163 58.060 58.200 0.037 0.000 0.888 646 S CB 1.221 64.480 63.200 0.099 0.000 1.110 646 S HN 0.902 nan 8.310 nan 0.000 0.463 647 V N 4.100 123.807 119.914 -0.345 0.000 2.867 647 V HA 0.052 4.172 4.120 -0.000 0.000 0.260 647 V C 0.809 176.587 176.094 -0.526 0.000 1.099 647 V CA 1.790 63.770 62.300 -0.534 0.000 1.122 647 V CB -0.885 30.322 31.823 -1.026 0.000 0.708 647 V HN 0.788 nan 8.190 nan 0.000 0.490 648 F N 0.054 119.935 119.950 -0.114 0.000 2.765 648 F HA 0.263 4.790 4.527 -0.000 0.000 0.302 648 F C 1.780 177.525 175.800 -0.092 0.000 1.111 648 F CA 0.128 58.045 58.000 -0.139 0.000 1.359 648 F CB -0.744 38.148 39.000 -0.179 0.000 1.097 648 F HN 0.234 nan 8.300 nan 0.000 0.577 649 N N 0.129 118.870 118.700 0.069 0.000 2.290 649 N HA -0.125 4.615 4.740 -0.000 0.000 0.179 649 N C 1.908 177.437 175.510 0.031 0.000 1.016 649 N CA 0.623 53.705 53.050 0.054 0.000 0.871 649 N CB -0.312 38.222 38.487 0.079 0.000 0.987 649 N HN 0.157 nan 8.380 nan 0.000 0.431 650 Q N 1.002 120.834 119.800 0.052 0.000 2.133 650 Q HA -0.093 4.247 4.340 -0.000 0.000 0.208 650 Q C 0.959 176.972 176.000 0.022 0.000 0.991 650 Q CA 1.735 57.579 55.803 0.068 0.000 0.867 650 Q CB -0.205 28.592 28.738 0.099 0.000 0.911 650 Q HN 0.271 nan 8.270 nan 0.000 0.417 651 N N -0.326 118.387 118.700 0.022 0.000 2.405 651 N HA 0.005 4.745 4.740 -0.000 0.000 0.175 651 N C -0.559 175.030 175.510 0.130 0.000 1.051 651 N CA 0.750 53.835 53.050 0.058 0.000 0.899 651 N CB 0.430 38.935 38.487 0.030 0.000 1.000 651 N HN 0.194 nan 8.380 nan 0.000 0.451 652 D N -0.204 120.248 120.400 0.088 0.000 2.552 652 D HA 0.191 4.831 4.640 -0.000 0.000 0.285 652 D C -2.055 174.238 176.300 -0.012 0.000 1.206 652 D CA -1.694 52.413 54.000 0.179 0.000 0.826 652 D CB 1.260 42.234 40.800 0.289 0.000 1.179 652 D HN 0.005 nan 8.370 nan 0.000 0.508 653 P HA -0.013 nan 4.420 nan 0.000 0.231 653 P C 1.455 178.538 177.300 -0.362 0.000 1.168 653 P CA 0.314 63.182 63.100 -0.386 0.000 0.779 653 P CB 0.119 31.486 31.700 -0.554 0.000 0.844 654 W N 1.024 122.310 121.300 -0.023 0.000 2.402 654 W HA 0.149 4.809 4.660 -0.000 0.000 0.286 654 W C 1.047 177.549 176.519 -0.029 0.000 1.221 654 W CA 0.720 58.042 57.345 -0.039 0.000 1.257 654 W CB -0.781 28.663 29.460 -0.027 0.000 1.120 654 W HN -0.008 nan 8.180 nan 0.000 0.551 655 A N 1.606 124.562 122.820 0.226 0.000 3.165 655 A HA 0.350 4.670 4.320 -0.000 0.000 0.331 655 A C -2.300 175.324 177.584 0.067 0.000 1.034 655 A CA -1.156 50.962 52.037 0.134 0.000 0.906 655 A CB -0.514 18.585 19.000 0.165 0.000 1.054 655 A HN -0.243 nan 8.150 nan 0.000 0.484 656 P HA 0.048 nan 4.420 nan 0.000 0.265 656 P C 0.785 178.094 177.300 0.015 0.000 1.193 656 P CA 0.492 63.589 63.100 -0.005 0.000 0.765 656 P CB 0.970 32.644 31.700 -0.043 0.000 0.823 657 T N 1.137 115.700 114.554 0.016 0.000 2.770 657 T HA 0.019 4.369 4.350 -0.000 0.000 0.263 657 T C 0.903 175.635 174.700 0.053 0.000 1.039 657 T CA 0.999 63.089 62.100 -0.016 0.000 1.142 657 T CB -0.001 68.844 68.868 -0.039 0.000 0.868 657 T HN 0.236 nan 8.240 nan 0.000 0.435 658 V N 2.053 122.020 119.914 0.089 0.000 2.555 658 V HA 0.504 4.624 4.120 -0.000 0.000 0.302 658 V C -1.024 175.104 176.094 0.056 0.000 1.038 658 V CA -1.075 61.305 62.300 0.133 0.000 0.887 658 V CB 1.857 33.791 31.823 0.186 0.000 0.991 658 V HN 0.221 nan 8.190 nan 0.000 0.434 659 D N 2.628 123.039 120.400 0.017 0.000 2.440 659 D HA 0.246 4.886 4.640 -0.000 0.000 0.252 659 D C 0.406 176.577 176.300 -0.215 0.000 1.180 659 D CA -0.606 53.357 54.000 -0.061 0.000 0.894 659 D CB 1.071 41.844 40.800 -0.044 0.000 1.111 659 D HN 0.308 nan 8.370 nan 0.000 0.544 660 F N 3.541 123.227 119.950 -0.440 0.000 2.120 660 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 660 F C 2.275 177.679 175.800 -0.661 0.000 1.095 660 F CA 2.225 59.712 58.000 -0.856 0.000 1.249 660 F CB -0.409 38.272 39.000 -0.532 0.000 0.995 660 F HN 0.414 nan 8.300 nan 0.000 0.480 661 S N -0.213 115.243 115.700 -0.407 0.000 2.402 661 S HA -0.268 4.202 4.470 -0.000 0.000 0.233 661 S C 1.702 176.099 174.600 -0.338 0.000 1.030 661 S CA 1.591 59.580 58.200 -0.352 0.000 1.003 661 S CB -0.966 62.207 63.200 -0.046 0.000 0.813 661 S HN 0.495 nan 8.310 nan 0.000 0.477 662 D N 1.133 121.394 120.400 -0.232 0.000 2.265 662 D HA -0.042 4.598 4.640 -0.000 0.000 0.208 662 D C 1.451 177.781 176.300 0.050 0.000 0.977 662 D CA 0.922 54.892 54.000 -0.050 0.000 0.871 662 D CB -0.534 40.303 40.800 0.061 0.000 0.925 662 D HN 0.628 nan 8.370 nan 0.000 0.485 663 F N 0.251 119.957 119.950 -0.407 0.000 2.293 663 F HA 0.029 4.556 4.527 -0.000 0.000 0.300 663 F C 1.161 176.761 175.800 -0.333 0.000 1.086 663 F CA -0.163 57.609 58.000 -0.379 0.000 1.375 663 F CB 0.119 38.774 39.000 -0.575 0.000 1.045 663 F HN -0.180 nan 8.300 nan 0.000 0.516 664 I N 2.806 123.243 120.570 -0.223 0.000 2.281 664 I HA 0.009 4.178 4.170 -0.000 0.000 0.293 664 I C 0.300 176.352 176.117 -0.109 0.000 1.085 664 I CA 0.069 61.252 61.300 -0.195 0.000 1.257 664 I CB 0.184 38.008 38.000 -0.293 0.000 1.430 664 I HN 0.197 nan 8.210 nan 0.000 0.489 665 N N 5.881 124.539 118.700 -0.070 0.000 2.390 665 N HA 0.017 4.757 4.740 -0.000 0.000 0.259 665 N C -0.006 175.479 175.510 -0.041 0.000 1.395 665 N CA -0.343 52.678 53.050 -0.048 0.000 0.852 665 N CB 0.176 38.641 38.487 -0.037 0.000 1.371 665 N HN 0.569 nan 8.380 nan 0.000 0.491 666 N N 0.950 119.624 118.700 -0.044 0.000 2.780 666 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 666 N C -1.289 174.198 175.510 -0.038 0.000 1.076 666 N CA 1.050 54.077 53.050 -0.038 0.000 0.688 666 N CB -0.884 37.585 38.487 -0.030 0.000 0.957 666 N HN 0.668 nan 8.380 nan 0.000 0.551 667 E N -1.187 118.987 120.200 -0.044 0.000 2.334 667 E HA 0.461 4.811 4.350 -0.000 0.000 0.256 667 E C -0.016 176.551 176.600 -0.055 0.000 0.958 667 E CA -0.953 55.419 56.400 -0.046 0.000 0.821 667 E CB 0.813 30.484 29.700 -0.050 0.000 1.269 667 E HN 0.151 nan 8.360 nan 0.000 0.413 668 T N 0.463 114.979 114.554 -0.062 0.000 2.913 668 T HA 0.288 4.638 4.350 -0.000 0.000 0.297 668 T C 0.569 175.205 174.700 -0.106 0.000 1.029 668 T CA -0.330 61.722 62.100 -0.079 0.000 1.104 668 T CB 0.098 68.917 68.868 -0.082 0.000 0.964 668 T HN 0.506 nan 8.240 nan 0.000 0.532 669 I N 1.638 122.132 120.570 -0.128 0.000 3.833 669 I HA 0.551 4.721 4.170 -0.000 0.000 0.328 669 I C 0.607 176.552 176.117 -0.287 0.000 1.554 669 I CA -0.904 60.294 61.300 -0.170 0.000 1.116 669 I CB 0.188 38.122 38.000 -0.111 0.000 1.182 669 I HN 0.496 nan 8.210 nan 0.000 0.459 670 A N 1.895 124.535 122.820 -0.300 0.000 2.774 670 A HA 0.657 4.977 4.320 -0.000 0.000 0.326 670 A C 1.134 178.213 177.584 -0.843 0.000 1.478 670 A CA 0.232 52.008 52.037 -0.436 0.000 1.099 670 A CB -0.819 18.155 19.000 -0.043 0.000 1.148 670 A HN 1.031 nan 8.150 nan 0.000 0.519 671 G N 1.712 109.501 108.800 -1.685 0.000 2.356 671 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.233 671 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.233 671 G C -0.209 174.225 174.900 -0.778 0.000 1.105 671 G CA -0.042 43.955 45.100 -1.838 0.000 0.861 671 G HN 0.623 nan 8.290 nan 0.000 0.493 672 K N -0.280 119.774 120.400 -0.577 0.000 2.378 672 K HA 0.511 4.831 4.320 -0.000 0.000 0.244 672 K C -0.605 175.856 176.600 -0.231 0.000 1.039 672 K CA -1.103 54.998 56.287 -0.310 0.000 0.863 672 K CB 0.933 33.299 32.500 -0.224 0.000 1.326 672 K HN 0.107 nan 8.250 nan 0.000 0.460 673 D N 1.862 122.175 120.400 -0.145 0.000 2.363 673 D HA 0.144 4.783 4.640 -0.000 0.000 0.263 673 D C -0.479 175.766 176.300 -0.092 0.000 1.258 673 D CA 0.183 54.123 54.000 -0.101 0.000 0.907 673 D CB 0.007 40.755 40.800 -0.087 0.000 1.107 673 D HN 0.275 nan 8.370 nan 0.000 0.495 674 L N 2.837 124.011 121.223 -0.080 0.000 2.332 674 L HA 0.634 4.974 4.340 -0.000 0.000 0.269 674 L C -0.123 176.710 176.870 -0.062 0.000 1.016 674 L CA -1.178 53.625 54.840 -0.062 0.000 0.809 674 L CB 2.038 44.062 42.059 -0.058 0.000 1.280 674 L HN 0.134 nan 8.230 nan 0.000 0.447 675 V N 0.884 120.758 119.914 -0.067 0.000 2.711 675 V HA 0.759 4.879 4.120 -0.000 0.000 0.304 675 V C -0.824 175.122 176.094 -0.247 0.000 1.097 675 V CA -0.296 61.886 62.300 -0.196 0.000 0.906 675 V CB 1.839 33.488 31.823 -0.290 0.000 1.015 675 V HN 0.835 nan 8.190 nan 0.000 0.427 676 A N 6.021 128.665 122.820 -0.293 0.000 2.306 676 A HA 0.834 5.154 4.320 -0.000 0.000 0.314 676 A C -1.340 176.012 177.584 -0.385 0.000 1.164 676 A CA -0.427 51.493 52.037 -0.195 0.000 0.822 676 A CB 0.645 19.572 19.000 -0.123 0.000 1.130 676 A HN 0.965 nan 8.150 nan 0.000 0.496 677 W N 2.158 123.439 121.300 -0.032 0.000 2.424 677 W HA 0.520 5.180 4.660 -0.000 0.000 0.318 677 W C -0.849 175.568 176.519 -0.170 0.000 1.016 677 W CA -0.536 56.705 57.345 -0.173 0.000 1.268 677 W CB 1.741 31.207 29.460 0.010 0.000 1.297 677 W HN 0.416 nan 8.180 nan 0.000 0.428 678 V N 3.290 123.110 119.914 -0.156 0.000 2.398 678 V HA 0.506 4.626 4.120 -0.000 0.000 0.286 678 V C 0.153 176.348 176.094 0.168 0.000 1.026 678 V CA -0.598 61.640 62.300 -0.103 0.000 0.868 678 V CB 1.443 32.884 31.823 -0.636 0.000 0.982 678 V HN 0.442 nan 8.190 nan 0.000 0.443 679 T N 4.288 119.052 114.554 0.350 0.000 2.829 679 T HA 0.766 5.116 4.350 -0.000 0.000 0.282 679 T C -0.049 174.898 174.700 0.410 0.000 0.990 679 T CA -0.227 62.167 62.100 0.490 0.000 1.028 679 T CB 1.551 70.743 68.868 0.539 0.000 0.951 679 T HN 0.991 nan 8.240 nan 0.000 0.460 680 A N 1.853 124.970 122.820 0.494 0.000 2.475 680 A HA 1.013 5.333 4.320 -0.000 0.000 0.301 680 A C -0.016 177.880 177.584 0.520 0.000 1.059 680 A CA -0.389 51.926 52.037 0.464 0.000 0.710 680 A CB 1.878 21.179 19.000 0.501 0.000 1.288 680 A HN 1.172 nan 8.150 nan 0.000 0.408 681 G N -0.499 108.551 108.800 0.417 0.000 2.427 681 G HA2 0.788 4.748 3.960 -0.000 0.000 0.306 681 G HA3 0.788 4.748 3.960 -0.000 0.000 0.306 681 G C -1.181 173.973 174.900 0.423 0.000 1.280 681 G CA 0.231 45.579 45.100 0.414 0.000 0.837 681 G HN 2.109 nan 8.290 nan 0.000 0.482 682 F N -2.247 117.776 119.950 0.121 0.000 2.799 682 F HA 0.730 5.257 4.527 -0.000 0.000 0.316 682 F C -1.760 174.068 175.800 0.046 0.000 1.155 682 F CA -1.387 56.641 58.000 0.048 0.000 0.916 682 F CB 1.241 40.231 39.000 -0.018 0.000 1.294 682 F HN 0.726 nan 8.300 nan 0.000 0.447 683 L N 2.361 123.685 121.223 0.169 0.000 2.312 683 L HA 0.526 4.866 4.340 -0.000 0.000 0.281 683 L C -1.065 175.904 176.870 0.165 0.000 1.070 683 L CA -0.023 54.837 54.840 0.032 0.000 0.805 683 L CB 1.010 43.087 42.059 0.030 0.000 1.174 683 L HN 0.845 nan 8.230 nan 0.000 0.434 684 H N 5.575 124.527 119.070 -0.197 0.000 2.800 684 H HA 0.458 5.014 4.556 -0.000 0.000 0.322 684 H C -1.118 174.081 175.328 -0.215 0.000 0.979 684 H CA -0.908 55.044 56.048 -0.160 0.000 1.277 684 H CB 1.073 30.663 29.762 -0.287 0.000 1.484 684 H HN 0.656 nan 8.280 nan 0.000 0.512 685 I N 8.171 128.839 120.570 0.163 0.000 2.307 685 I HA 0.212 4.382 4.170 -0.000 0.000 0.287 685 I C -2.262 173.936 176.117 0.135 0.000 1.054 685 I CA -2.018 59.316 61.300 0.056 0.000 1.218 685 I CB 1.166 39.216 38.000 0.083 0.000 1.398 685 I HN 0.433 nan 8.210 nan 0.000 0.475 686 P HA 0.071 nan 4.420 nan 0.000 0.268 686 P C -0.908 176.433 177.300 0.067 0.000 1.208 686 P CA 0.414 63.422 63.100 -0.153 0.000 0.777 686 P CB 0.447 32.024 31.700 -0.206 0.000 0.875 687 H N -0.942 118.163 119.070 0.058 0.000 2.990 687 H HA 0.479 5.035 4.556 -0.000 0.000 0.343 687 H C 0.626 175.977 175.328 0.037 0.000 1.270 687 H CA -0.867 55.205 56.048 0.040 0.000 1.118 687 H CB 0.513 30.302 29.762 0.046 0.000 1.861 687 H HN 0.345 nan 8.280 nan 0.000 0.544 688 A N 0.652 123.551 122.820 0.133 0.000 1.958 688 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 688 A C 1.678 179.282 177.584 0.033 0.000 1.178 688 A CA 2.320 54.394 52.037 0.062 0.000 0.642 688 A CB -0.849 18.195 19.000 0.072 0.000 0.816 688 A HN 0.751 nan 8.150 nan 0.000 0.453 689 E N 0.379 120.638 120.200 0.098 0.000 2.478 689 E HA -0.048 4.302 4.350 -0.000 0.000 0.198 689 E C 0.721 177.286 176.600 -0.058 0.000 1.046 689 E CA 0.676 57.116 56.400 0.066 0.000 0.870 689 E CB -0.063 29.749 29.700 0.187 0.000 0.818 689 E HN 0.558 nan 8.360 nan 0.000 0.527 690 D N 0.058 120.340 120.400 -0.196 0.000 2.363 690 D HA -0.035 4.605 4.640 -0.000 0.000 0.226 690 D C -0.008 176.235 176.300 -0.095 0.000 1.020 690 D CA 0.494 54.398 54.000 -0.159 0.000 0.892 690 D CB 0.382 41.077 40.800 -0.175 0.000 0.900 690 D HN 0.133 nan 8.370 nan 0.000 0.531 691 I N 2.307 122.838 120.570 -0.065 0.000 2.362 691 I HA 0.127 4.296 4.170 -0.000 0.000 0.289 691 I C -1.293 174.802 176.117 -0.036 0.000 0.994 691 I CA -2.171 59.105 61.300 -0.040 0.000 1.158 691 I CB 1.567 39.559 38.000 -0.012 0.000 1.315 691 I HN -0.264 nan 8.210 nan 0.000 0.451 692 P HA 0.020 nan 4.420 nan 0.000 0.217 692 P C 0.102 177.198 177.300 -0.340 0.000 1.154 692 P CA 0.934 63.965 63.100 -0.116 0.000 0.841 692 P CB 0.772 32.407 31.700 -0.109 0.000 0.790 693 N N -1.094 117.418 118.700 -0.314 0.000 2.362 693 N HA 0.262 5.002 4.740 -0.000 0.000 0.299 693 N C -0.723 174.679 175.510 -0.179 0.000 1.170 693 N CA -0.535 52.312 53.050 -0.339 0.000 0.825 693 N CB 1.503 39.776 38.487 -0.357 0.000 1.299 693 N HN -0.229 nan 8.380 nan 0.000 0.502 694 T N 1.132 115.605 114.554 -0.135 0.000 2.834 694 T HA 0.145 4.495 4.350 -0.000 0.000 0.298 694 T C 0.564 175.201 174.700 -0.105 0.000 0.966 694 T CA -0.546 61.507 62.100 -0.078 0.000 1.141 694 T CB 0.299 69.168 68.868 0.000 0.000 0.905 694 T HN 0.299 nan 8.240 nan 0.000 0.535 695 V N 2.088 121.946 119.914 -0.094 0.000 2.953 695 V HA 0.375 4.495 4.120 -0.000 0.000 0.304 695 V C 1.451 177.481 176.094 -0.107 0.000 1.073 695 V CA -0.182 62.059 62.300 -0.097 0.000 1.064 695 V CB 0.737 32.515 31.823 -0.075 0.000 1.047 695 V HN 0.969 nan 8.190 nan 0.000 0.478 696 T N -0.273 114.213 114.554 -0.114 0.000 3.055 696 T HA 0.048 4.398 4.350 -0.000 0.000 0.265 696 T C 0.684 175.352 174.700 -0.053 0.000 1.111 696 T CA 0.444 62.489 62.100 -0.091 0.000 1.118 696 T CB -0.473 68.264 68.868 -0.218 0.000 0.909 696 T HN 0.616 nan 8.240 nan 0.000 0.501 697 V N 2.698 122.564 119.914 -0.080 0.000 2.452 697 V HA 0.379 4.499 4.120 -0.000 0.000 0.286 697 V C 1.801 177.838 176.094 -0.095 0.000 0.995 697 V CA 1.060 63.319 62.300 -0.068 0.000 1.116 697 V CB -0.694 31.091 31.823 -0.063 0.000 0.954 697 V HN 0.857 nan 8.190 nan 0.000 0.473 698 G N 4.825 113.570 108.800 -0.091 0.000 2.212 698 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.266 698 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.266 698 G C 0.717 175.443 174.900 -0.290 0.000 0.978 698 G CA 0.443 45.450 45.100 -0.154 0.000 0.632 698 G HN 0.646 nan 8.290 nan 0.000 0.537 699 N N 1.372 119.871 118.700 -0.334 0.000 2.336 699 N HA 0.200 4.940 4.740 -0.000 0.000 0.189 699 N C 1.325 176.416 175.510 -0.698 0.000 1.113 699 N CA 0.822 53.481 53.050 -0.651 0.000 0.858 699 N CB 0.185 38.319 38.487 -0.589 0.000 0.970 699 N HN 0.651 nan 8.380 nan 0.000 0.471 700 G N 0.323 108.797 108.800 -0.544 0.000 2.406 700 G HA2 0.395 4.355 3.960 -0.000 0.000 0.251 700 G HA3 0.395 4.355 3.960 -0.000 0.000 0.251 700 G C -0.430 174.042 174.900 -0.713 0.000 1.271 700 G CA 0.018 44.518 45.100 -1.000 0.000 0.859 700 G HN -0.006 nan 8.290 nan 0.000 0.540 701 V N 1.328 120.807 119.914 -0.725 0.000 2.971 701 V HA 0.957 5.077 4.120 -0.000 0.000 0.309 701 V C 0.561 176.505 176.094 -0.250 0.000 1.130 701 V CA 0.729 62.796 62.300 -0.388 0.000 0.964 701 V CB 1.924 33.590 31.823 -0.262 0.000 1.029 701 V HN 1.560 nan 8.190 nan 0.000 0.427 702 G N 3.251 111.990 108.800 -0.102 0.000 2.455 702 G HA2 0.460 4.420 3.960 -0.000 0.000 0.223 702 G HA3 0.460 4.420 3.960 -0.000 0.000 0.223 702 G C -1.546 173.344 174.900 -0.017 0.000 1.226 702 G CA 0.169 45.207 45.100 -0.103 0.000 0.948 702 G HN 1.572 nan 8.290 nan 0.000 0.478 703 F N -1.952 117.787 119.950 -0.352 0.000 2.693 703 F HA 0.853 5.380 4.527 -0.000 0.000 0.309 703 F C -1.681 173.873 175.800 -0.410 0.000 1.129 703 F CA -1.801 56.042 58.000 -0.262 0.000 0.948 703 F CB 1.093 39.996 39.000 -0.161 0.000 1.315 703 F HN 0.457 nan 8.300 nan 0.000 0.447 704 F N 1.714 121.669 119.950 0.008 0.000 2.470 704 F HA 0.734 5.261 4.527 -0.000 0.000 0.329 704 F C -0.450 175.398 175.800 0.080 0.000 1.072 704 F CA -0.954 57.006 58.000 -0.067 0.000 0.989 704 F CB 2.004 40.943 39.000 -0.103 0.000 1.193 704 F HN 0.357 nan 8.300 nan 0.000 0.481 705 L N 4.120 125.497 121.223 0.257 0.000 2.345 705 L HA 0.561 4.901 4.340 -0.000 0.000 0.274 705 L C -0.629 176.450 176.870 0.348 0.000 0.999 705 L CA -0.588 54.426 54.840 0.290 0.000 0.849 705 L CB 1.201 43.387 42.059 0.212 0.000 1.220 705 L HN 0.559 nan 8.230 nan 0.000 0.422 706 R N 3.664 124.289 120.500 0.209 0.000 2.670 706 R HA 0.512 4.852 4.340 -0.000 0.000 0.289 706 R C -2.698 173.333 176.300 -0.448 0.000 0.965 706 R CA -1.980 54.099 56.100 -0.034 0.000 0.899 706 R CB 2.414 32.663 30.300 -0.086 0.000 1.173 706 R HN 0.225 nan 8.270 nan 0.000 0.456 707 P HA -0.001 nan 4.420 nan 0.000 0.276 707 P C -1.304 175.853 177.300 -0.238 0.000 1.235 707 P CA 0.013 62.554 63.100 -0.932 0.000 0.772 707 P CB 0.426 31.872 31.700 -0.423 0.000 0.871 708 Y N 4.207 124.315 120.300 -0.319 0.000 2.646 708 Y HA 0.239 4.789 4.550 -0.000 0.000 0.334 708 Y C 0.309 176.112 175.900 -0.160 0.000 1.004 708 Y CA -0.540 57.419 58.100 -0.234 0.000 1.301 708 Y CB -0.028 38.213 38.460 -0.364 0.000 1.093 708 Y HN 0.390 nan 8.280 nan 0.000 0.530 709 N N 3.426 121.937 118.700 -0.315 0.000 2.725 709 N HA -0.315 4.425 4.740 -0.000 0.000 0.249 709 N C 0.539 176.028 175.510 -0.036 0.000 1.103 709 N CA 1.464 54.396 53.050 -0.196 0.000 0.707 709 N CB -1.706 36.571 38.487 -0.350 0.000 1.043 709 N HN 0.722 nan 8.380 nan 0.000 0.553 710 F N 0.121 119.953 119.950 -0.197 0.000 2.149 710 F HA 0.211 4.738 4.527 -0.000 0.000 0.294 710 F C 0.900 176.482 175.800 -0.363 0.000 1.095 710 F CA 0.821 58.638 58.000 -0.305 0.000 1.276 710 F CB 0.121 38.797 39.000 -0.539 0.000 1.023 710 F HN -0.003 nan 8.300 nan 0.000 0.480 711 F N 0.468 120.488 119.950 0.117 0.000 2.410 711 F HA 0.230 4.757 4.527 -0.000 0.000 0.324 711 F C 1.496 177.315 175.800 0.031 0.000 1.093 711 F CA -0.759 57.272 58.000 0.051 0.000 1.028 711 F CB 0.205 39.306 39.000 0.168 0.000 1.309 711 F HN -0.259 nan 8.300 nan 0.000 0.499 712 D N -0.484 120.076 120.400 0.265 0.000 2.271 712 D HA 0.029 4.669 4.640 -0.000 0.000 0.206 712 D C -0.022 176.488 176.300 0.350 0.000 0.967 712 D CA 0.839 54.952 54.000 0.189 0.000 0.867 712 D CB 0.167 40.975 40.800 0.013 0.000 0.960 712 D HN 0.686 nan 8.370 nan 0.000 0.509 713 E N -0.361 120.008 120.200 0.280 0.000 2.423 713 E HA 0.168 4.518 4.350 -0.000 0.000 0.280 713 E C -1.355 175.295 176.600 0.085 0.000 1.030 713 E CA -0.887 55.603 56.400 0.150 0.000 0.812 713 E CB 0.974 30.691 29.700 0.029 0.000 1.313 713 E HN -0.317 nan 8.360 nan 0.000 0.456 714 D N 1.819 122.221 120.400 0.003 0.000 2.479 714 D HA 0.017 4.657 4.640 -0.000 0.000 0.257 714 D C -1.427 174.843 176.300 -0.050 0.000 1.230 714 D CA -1.531 52.446 54.000 -0.038 0.000 0.912 714 D CB 0.920 41.703 40.800 -0.029 0.000 1.130 714 D HN 0.164 nan 8.370 nan 0.000 0.515 715 P HA -0.222 nan 4.420 nan 0.000 0.218 715 P C 1.245 178.632 177.300 0.144 0.000 1.152 715 P CA 1.697 64.790 63.100 -0.013 0.000 0.857 715 P CB -0.047 31.527 31.700 -0.211 0.000 0.787 716 S N -2.059 113.690 115.700 0.080 0.000 2.547 716 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 716 S C 1.726 176.365 174.600 0.065 0.000 0.980 716 S CA 0.135 58.394 58.200 0.098 0.000 0.941 716 S CB -1.552 61.701 63.200 0.089 0.000 0.763 716 S HN 0.032 nan 8.310 nan 0.000 0.532 717 F N 2.426 122.275 119.950 -0.168 0.000 2.161 717 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 717 F C 1.399 177.041 175.800 -0.264 0.000 1.089 717 F CA 0.902 58.727 58.000 -0.292 0.000 1.282 717 F CB -0.672 38.017 39.000 -0.518 0.000 1.010 717 F HN 0.211 nan 8.300 nan 0.000 0.485 718 Y N 0.261 120.490 120.300 -0.119 0.000 2.578 718 Y HA 0.138 4.688 4.550 -0.000 0.000 0.297 718 Y C 1.607 177.422 175.900 -0.141 0.000 1.176 718 Y CA 0.304 58.283 58.100 -0.203 0.000 1.315 718 Y CB -1.313 37.113 38.460 -0.057 0.000 1.031 718 Y HN -0.030 nan 8.280 nan 0.000 0.524 719 S N 0.621 116.335 115.700 0.023 0.000 2.549 719 S HA 0.239 4.709 4.470 -0.000 0.000 0.286 719 S C 1.522 176.131 174.600 0.015 0.000 1.314 719 S CA 0.069 58.295 58.200 0.043 0.000 1.062 719 S CB 0.830 64.065 63.200 0.058 0.000 0.865 719 S HN 0.442 nan 8.310 nan 0.000 0.498 720 A N 3.696 126.533 122.820 0.028 0.000 2.216 720 A HA 0.048 4.368 4.320 -0.000 0.000 0.214 720 A C 1.171 178.778 177.584 0.039 0.000 1.160 720 A CA 1.053 53.104 52.037 0.024 0.000 0.725 720 A CB -0.199 18.815 19.000 0.023 0.000 0.784 720 A HN 0.851 nan 8.150 nan 0.000 0.472 721 D N -0.429 120.004 120.400 0.054 0.000 2.433 721 D HA 0.076 4.716 4.640 -0.000 0.000 0.211 721 D C 0.444 176.796 176.300 0.087 0.000 1.114 721 D CA 0.520 54.562 54.000 0.071 0.000 0.837 721 D CB 0.213 41.062 40.800 0.081 0.000 0.984 721 D HN 0.446 nan 8.370 nan 0.000 0.505 722 S N 0.614 116.357 115.700 0.072 0.000 2.549 722 S HA 0.282 4.752 4.470 -0.000 0.000 0.279 722 S C 0.123 174.810 174.600 0.146 0.000 1.321 722 S CA -0.557 57.701 58.200 0.096 0.000 1.054 722 S CB 1.212 64.438 63.200 0.044 0.000 0.899 722 S HN -0.102 nan 8.310 nan 0.000 0.497 723 I N 2.905 123.605 120.570 0.218 0.000 2.428 723 I HA 0.584 4.754 4.170 -0.000 0.000 0.296 723 I C -0.574 175.776 176.117 0.388 0.000 0.985 723 I CA -0.758 60.727 61.300 0.308 0.000 1.260 723 I CB 1.273 39.485 38.000 0.353 0.000 1.389 723 I HN 0.816 nan 8.210 nan 0.000 0.484 724 Y N 7.777 128.237 120.300 0.267 0.000 2.480 724 Y HA 0.633 5.183 4.550 -0.000 0.000 0.329 724 Y C -1.833 174.246 175.900 0.299 0.000 1.127 724 Y CA -1.350 56.857 58.100 0.178 0.000 1.037 724 Y CB 1.418 39.940 38.460 0.103 0.000 1.320 724 Y HN 0.422 nan 8.280 nan 0.000 0.446 725 F N 2.748 122.265 119.950 -0.720 0.000 2.688 725 F HA 0.716 5.243 4.527 -0.000 0.000 0.308 725 F C -1.490 173.980 175.800 -0.549 0.000 1.117 725 F CA -1.452 56.216 58.000 -0.553 0.000 0.976 725 F CB 1.210 40.114 39.000 -0.160 0.000 1.291 725 F HN 0.447 nan 8.300 nan 0.000 0.439 726 R N 0.485 120.917 120.500 -0.114 0.000 2.528 726 R HA 0.486 4.826 4.340 -0.000 0.000 0.271 726 R C 1.183 177.590 176.300 0.178 0.000 1.056 726 R CA -0.234 55.892 56.100 0.044 0.000 1.117 726 R CB 1.189 31.556 30.300 0.113 0.000 1.085 726 R HN 1.077 nan 8.270 nan 0.000 0.530 727 G N 0.714 109.618 108.800 0.173 0.000 2.443 727 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 727 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 727 G C 0.754 175.741 174.900 0.146 0.000 1.131 727 G CA 1.079 46.290 45.100 0.185 0.000 0.775 727 G HN 0.813 nan 8.290 nan 0.000 0.547 728 D N -0.575 119.898 120.400 0.122 0.000 2.323 728 D HA 0.031 4.671 4.640 -0.000 0.000 0.209 728 D C 1.446 177.788 176.300 0.071 0.000 0.973 728 D CA 0.163 54.214 54.000 0.084 0.000 0.874 728 D CB -0.074 40.767 40.800 0.068 0.000 0.930 728 D HN 0.361 nan 8.370 nan 0.000 0.521 729 Q N -0.016 119.836 119.800 0.088 0.000 2.414 729 Q HA 0.164 4.504 4.340 -0.000 0.000 0.206 729 Q C -0.609 175.401 176.000 0.016 0.000 1.058 729 Q CA -0.411 55.429 55.803 0.063 0.000 1.025 729 Q CB 0.549 29.342 28.738 0.093 0.000 1.196 729 Q HN 0.090 nan 8.270 nan 0.000 0.586 730 D N -0.693 119.694 120.400 -0.023 0.000 2.396 730 D HA 0.268 4.907 4.640 -0.000 0.000 0.225 730 D C -0.128 176.063 176.300 -0.180 0.000 1.121 730 D CA -0.184 53.769 54.000 -0.078 0.000 0.853 730 D CB 1.285 42.054 40.800 -0.051 0.000 1.043 730 D HN 0.570 nan 8.370 nan 0.000 0.500 731 A N 3.012 125.640 122.820 -0.320 0.000 2.066 731 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 731 A C 1.913 179.258 177.584 -0.398 0.000 1.157 731 A CA 1.264 52.917 52.037 -0.640 0.000 0.670 731 A CB -0.270 18.151 19.000 -0.965 0.000 0.804 731 A HN 0.595 nan 8.150 nan 0.000 0.453 732 G N -0.670 107.988 108.800 -0.236 0.000 2.712 732 G HA2 0.318 4.278 3.960 -0.000 0.000 0.212 732 G HA3 0.318 4.278 3.960 -0.000 0.000 0.212 732 G C 0.729 175.566 174.900 -0.106 0.000 1.142 732 G CA 0.538 45.547 45.100 -0.151 0.000 0.789 732 G HN 0.768 nan 8.290 nan 0.000 0.535 733 A N 0.111 122.871 122.820 -0.101 0.000 2.444 733 A HA 0.331 4.651 4.320 -0.000 0.000 0.287 733 A C 1.673 179.229 177.584 -0.047 0.000 1.195 733 A CA 0.192 52.194 52.037 -0.058 0.000 0.858 733 A CB -0.393 18.582 19.000 -0.041 0.000 1.117 733 A HN 0.395 nan 8.150 nan 0.000 0.521 734 c N 2.617 121.198 118.600 -0.032 0.000 2.385 734 c HA -0.187 4.383 4.570 -0.000 0.000 0.275 734 c C 2.803 176.893 174.090 0.001 0.000 1.207 734 c CA 2.504 58.823 56.329 -0.017 0.000 1.760 734 c CB -1.259 41.245 42.510 -0.009 0.000 2.051 734 c HN 0.932 nan 8.230 nan 0.000 0.467 735 E N -0.903 119.300 120.200 0.005 0.000 2.204 735 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 735 E C 1.962 178.582 176.600 0.033 0.000 0.990 735 E CA 1.663 58.075 56.400 0.019 0.000 0.821 735 E CB -0.713 28.997 29.700 0.018 0.000 0.750 735 E HN 0.637 nan 8.360 nan 0.000 0.477 736 V N 0.939 120.867 119.914 0.023 0.000 2.302 736 V HA 0.011 4.131 4.120 -0.000 0.000 0.243 736 V C 0.875 177.009 176.094 0.067 0.000 1.036 736 V CA 1.602 63.930 62.300 0.047 0.000 1.020 736 V CB 0.079 31.911 31.823 0.014 0.000 0.657 736 V HN 0.618 nan 8.190 nan 0.000 0.453 737 N N -0.556 118.152 118.700 0.014 0.000 2.531 737 N HA 0.302 5.042 4.740 -0.000 0.000 0.268 737 N C -2.188 173.334 175.510 0.020 0.000 1.023 737 N CA -1.980 51.086 53.050 0.026 0.000 0.896 737 N CB 2.098 40.518 38.487 -0.112 0.000 1.233 737 N HN -0.105 nan 8.380 nan 0.000 0.512 738 P HA -0.117 nan 4.420 nan 0.000 0.217 738 P C 1.355 178.671 177.300 0.027 0.000 1.148 738 P CA 1.061 64.186 63.100 0.042 0.000 0.828 738 P CB 0.315 32.052 31.700 0.061 0.000 0.783 739 L N -1.295 119.947 121.223 0.031 0.000 2.187 739 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 739 L C 2.384 179.245 176.870 -0.015 0.000 1.100 739 L CA 1.435 56.282 54.840 0.012 0.000 0.765 739 L CB -1.103 40.966 42.059 0.016 0.000 0.904 739 L HN -0.013 nan 8.230 nan 0.000 0.437 740 A N -0.615 122.185 122.820 -0.034 0.000 2.019 740 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 740 A C 2.214 179.785 177.584 -0.022 0.000 1.164 740 A CA 1.708 53.718 52.037 -0.045 0.000 0.644 740 A CB -0.871 18.089 19.000 -0.065 0.000 0.805 740 A HN 0.630 nan 8.150 nan 0.000 0.449 741 c N -1.230 117.365 118.600 -0.009 0.000 2.618 741 c HA 0.243 4.812 4.570 -0.000 0.000 0.264 741 c C 2.181 176.275 174.090 0.006 0.000 1.334 741 c CA 0.074 56.403 56.329 0.001 0.000 1.731 741 c CB -1.485 41.029 42.510 0.007 0.000 1.852 741 c HN 0.528 nan 8.230 nan 0.000 0.566 742 L N 2.700 123.926 121.223 0.005 0.000 2.013 742 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 742 L C -0.520 176.360 176.870 0.017 0.000 1.073 742 L CA 2.334 57.178 54.840 0.008 0.000 0.753 742 L CB -1.638 40.423 42.059 0.004 0.000 0.890 742 L HN 0.119 nan 8.230 nan 0.000 0.432 743 P HA -0.147 nan 4.420 nan 0.000 0.220 743 P C 1.628 178.945 177.300 0.028 0.000 1.148 743 P CA 2.021 65.135 63.100 0.022 0.000 0.803 743 P CB -0.168 31.539 31.700 0.011 0.000 0.782 744 Q N 0.043 119.856 119.800 0.021 0.000 1.994 744 Q HA -0.019 4.321 4.340 -0.000 0.000 0.198 744 Q C 2.390 178.411 176.000 0.035 0.000 0.976 744 Q CA 1.903 57.721 55.803 0.025 0.000 0.828 744 Q CB -1.894 26.855 28.738 0.018 0.000 0.894 744 Q HN 0.223 nan 8.270 nan 0.000 0.432 745 A N 0.813 123.651 122.820 0.029 0.000 1.940 745 A HA 0.139 4.459 4.320 -0.000 0.000 0.221 745 A C 2.307 179.920 177.584 0.048 0.000 1.190 745 A CA 2.475 54.530 52.037 0.031 0.000 0.647 745 A CB -0.673 18.336 19.000 0.015 0.000 0.821 745 A HN 1.388 nan 8.150 nan 0.000 0.457 746 A N -1.401 121.457 122.820 0.063 0.000 2.610 746 A HA 0.636 4.956 4.320 -0.000 0.000 0.286 746 A C 0.887 178.565 177.584 0.157 0.000 1.306 746 A CA 0.544 52.661 52.037 0.134 0.000 0.942 746 A CB -0.556 nan 19.000 nan 0.000 1.112 746 A HN 1.044 nan 8.150 nan 0.000 0.527 747 A N 0.675 123.555 122.820 0.099 0.000 3.126 747 A HA 0.510 4.830 4.320 -0.000 0.000 0.268 747 A C 0.224 177.852 177.584 0.073 0.000 1.605 747 A CA 0.218 52.298 52.037 0.073 0.000 1.305 747 A CB -1.577 17.452 19.000 0.047 0.000 1.160 747 A HN 1.312 nan 8.150 nan 0.000 0.609 748 c N -1.202 117.451 118.600 0.089 0.000 3.181 748 c HA 0.804 5.374 4.570 -0.000 0.000 0.362 748 c C 0.092 174.171 174.090 -0.018 0.000 1.125 748 c CA -0.556 55.807 56.329 0.058 0.000 1.265 748 c CB 0.756 43.325 42.510 0.099 0.000 1.632 748 c HN 1.253 nan 8.230 nan 0.000 0.525 749 A N 2.966 125.720 122.820 -0.110 0.000 2.409 749 A HA 0.767 5.087 4.320 -0.000 0.000 0.262 749 A C -2.452 174.915 177.584 -0.362 0.000 1.113 749 A CA -0.847 51.036 52.037 -0.257 0.000 0.790 749 A CB -0.298 18.555 19.000 -0.244 0.000 1.046 749 A HN 0.771 nan 8.150 nan 0.000 0.496 750 P HA 0.359 nan 4.420 nan 0.000 0.275 750 P C -0.273 176.852 177.300 -0.291 0.000 1.227 750 P CA 0.219 63.173 63.100 -0.243 0.000 0.781 750 P CB 0.510 32.038 31.700 -0.287 0.000 0.906 751 D N 3.788 124.118 120.400 -0.116 0.000 2.483 751 D HA 0.254 4.893 4.640 -0.000 0.000 0.220 751 D C -0.040 176.329 176.300 0.115 0.000 1.173 751 D CA -0.385 53.657 54.000 0.070 0.000 0.964 751 D CB -0.593 40.436 40.800 0.381 0.000 1.046 751 D HN 0.182 nan 8.370 nan 0.000 0.517 752 L N 2.339 123.596 121.223 0.057 0.000 2.360 752 L HA 0.365 4.705 4.340 -0.000 0.000 0.276 752 L C -1.660 175.324 176.870 0.190 0.000 1.121 752 L CA -1.533 53.367 54.840 0.099 0.000 0.845 752 L CB 0.992 42.991 42.059 -0.100 0.000 1.143 752 L HN 0.335 nan 8.230 nan 0.000 0.452 753 P HA 0.201 nan 4.420 nan 0.000 0.269 753 P C -0.745 176.738 177.300 0.304 0.000 1.209 753 P CA -0.383 62.869 63.100 0.253 0.000 0.776 753 P CB 0.576 32.412 31.700 0.227 0.000 0.876 754 A N 2.933 125.874 122.820 0.201 0.000 2.498 754 A HA 0.139 4.459 4.320 -0.000 0.000 0.239 754 A C -0.055 177.668 177.584 0.232 0.000 1.068 754 A CA -0.250 51.915 52.037 0.214 0.000 0.766 754 A CB -0.566 18.517 19.000 0.138 0.000 1.003 754 A HN 0.551 nan 8.150 nan 0.000 0.497 755 F N 3.312 123.360 119.950 0.164 0.000 2.578 755 F HA 0.364 4.891 4.527 -0.000 0.000 0.381 755 F C 0.833 176.642 175.800 0.015 0.000 1.069 755 F CA 1.076 59.120 58.000 0.074 0.000 1.231 755 F CB 0.451 39.521 39.000 0.115 0.000 1.086 755 F HN 0.560 nan 8.300 nan 0.000 0.564 756 S N 6.274 121.504 115.700 -0.783 0.000 2.566 756 S HA 0.415 4.885 4.470 -0.000 0.000 0.298 756 S C -1.347 172.653 174.600 -1.001 0.000 1.083 756 S CA -0.671 57.136 58.200 -0.654 0.000 0.978 756 S CB 1.197 64.186 63.200 -0.351 0.000 1.073 756 S HN 0.874 nan 8.310 nan 0.000 0.491 757 H N 1.192 119.899 119.070 -0.604 0.000 2.572 757 H HA 0.421 4.977 4.556 -0.000 0.000 0.359 757 H C 0.957 176.140 175.328 -0.242 0.000 1.134 757 H CA -0.319 55.479 56.048 -0.417 0.000 1.187 757 H CB 1.791 31.466 29.762 -0.145 0.000 1.597 757 H HN 0.879 nan 8.280 nan 0.000 0.524 758 G N 2.208 110.430 108.800 -0.963 0.000 2.956 758 G HA2 0.288 4.248 3.960 -0.000 0.000 0.207 758 G HA3 0.288 4.248 3.960 -0.000 0.000 0.207 758 G C 0.743 175.315 174.900 -0.546 0.000 1.162 758 G CA 0.475 45.205 45.100 -0.616 0.000 0.796 758 G HN 1.028 nan 8.290 nan 0.000 0.527 759 G N -0.880 107.545 108.800 -0.626 0.000 2.752 759 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.234 759 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.234 759 G C -0.206 174.489 174.900 -0.342 0.000 1.367 759 G CA -0.186 44.821 45.100 -0.156 0.000 0.879 759 G HN 0.361 nan 8.290 nan 0.000 0.563 760 F N -0.653 119.335 119.950 0.063 0.000 2.900 760 F HA 0.763 5.290 4.527 -0.000 0.000 0.375 760 F C 1.027 176.841 175.800 0.023 0.000 1.258 760 F CA -0.319 57.719 58.000 0.063 0.000 1.094 760 F CB 1.078 40.141 39.000 0.105 0.000 1.505 760 F HN 0.585 nan 8.300 nan 0.000 0.510 761 S N -0.987 114.841 115.700 0.214 0.000 2.713 761 S HA 0.514 4.984 4.470 -0.000 0.000 0.283 761 S C -1.066 173.525 174.600 -0.014 0.000 1.161 761 S CA -0.400 57.780 58.200 -0.033 0.000 0.999 761 S CB 0.618 63.651 63.200 -0.277 0.000 1.039 761 S HN 0.609 nan 8.310 nan 0.000 0.548 762 H N 0.000 119.097 119.070 0.046 0.000 2.539 762 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 762 H CA 0.000 56.068 56.048 0.034 0.000 1.023 762 H CB 0.000 29.792 29.762 0.050 0.000 1.292 762 H HN 0.000 nan 8.280 nan 0.000 0.496