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 1olz_1_B DATA FIRST_RESID 3 DATA SEQUENCE FAPIPRITWE HREVHLVQFH EPDIYNYSAL LLSEDKDTLY IGAREAVFAV DATA SEQUENCE NALNISEKQH EVYWKVSEDK KAKcAEKGKS KQTEcLNYIR VLQPLSATSL DATA SEQUENCE YVcGTNAFQP AcDHLNLTSF KFLGKNEDGK GRCPFDPAHS YTSVMVDGEL DATA SEQUENCE YSGTSYNFLG SEPIISRNSS HSPLRTEYAI PWLNEPSFVF ADVIRKSPXX DATA SEQUENCE XXGEDDRVYF FFTEVSVEYE FVFRVLIPRI ARVcKGDQGG LRTLQKKWTS DATA SEQUENCE FLKARLIcSR PDSGLVFNVL RDVFVLRSPG LKVPVFYALF TPQLNNVGLS DATA SEQUENCE AVcAYNLSTA EEVFSHGKYM QSTTVEQSHT KWVRYNGPVP KPRPGAcIDS DATA SEQUENCE EARAANYTSS LNLPDKTLQF VKDHPLMDDS VTPIDNRPRL IKKDVNYTQI DATA SEQUENCE VVDRTQALDG TVYDVMFVST DRGALHKAIS LEHAVHIIEE TQLFQDFEPV DATA SEQUENCE QTLLLSSKKG NRFVYAGSNS GVVQAPLAFc GKHGTcEDcV LARDPYcAWS DATA SEQUENCE PPTATcVALH QTESPSRGLI QEMSGDASVc PDKSKGSYRQ HFFKHGGTAE DATA SEQUENCE LKcSQKSNLA RVFWKFQNGV LKAESPKYGL MGRKNLLIFN LSEGDSGVYQ DATA SEQUENCE cLSEERVKNK TVFQVVAKHV LEVKVV 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 3 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.834 175.800 0.056 0.000 0.967 3 F CA 0.000 58.036 58.000 0.060 0.000 1.383 3 F CB 0.000 39.037 39.000 0.062 0.000 1.145 4 A N 2.839 125.785 122.820 0.210 0.000 2.492 4 A HA 0.616 4.938 4.320 0.003 0.000 0.236 4 A C -2.317 175.357 177.584 0.151 0.000 1.078 4 A CA -0.753 51.376 52.037 0.153 0.000 0.773 4 A CB -0.430 18.659 19.000 0.148 0.000 1.023 4 A HN 0.373 nan 8.150 nan 0.000 0.504 5 P HA 0.414 nan 4.420 nan 0.000 0.279 5 P C -0.064 177.273 177.300 0.062 0.000 1.282 5 P CA -0.520 62.628 63.100 0.079 0.000 0.788 5 P CB 0.214 31.953 31.700 0.064 0.000 1.139 6 I N -3.533 117.056 120.570 0.031 0.000 2.764 6 I HA 0.421 4.593 4.170 0.003 0.000 0.294 6 I C -2.365 173.721 176.117 -0.052 0.000 1.045 6 I CA -2.777 58.526 61.300 0.005 0.000 1.340 6 I CB -0.357 37.640 38.000 -0.005 0.000 1.436 6 I HN 0.051 nan 8.210 nan 0.000 0.567 7 P HA 0.006 nan 4.420 nan 0.000 0.262 7 P C 0.108 177.312 177.300 -0.161 0.000 1.182 7 P CA 0.143 63.114 63.100 -0.215 0.000 0.761 7 P CB 0.503 31.994 31.700 -0.348 0.000 0.795 8 R N 3.777 124.185 120.500 -0.152 0.000 2.092 8 R HA 0.012 4.354 4.340 0.003 0.000 0.231 8 R C 0.444 176.642 176.300 -0.170 0.000 1.119 8 R CA 1.112 57.149 56.100 -0.105 0.000 0.970 8 R CB 0.030 30.321 30.300 -0.015 0.000 0.864 8 R HN 0.438 nan 8.270 nan 0.000 0.440 9 I N 0.323 120.736 120.570 -0.261 0.000 2.569 9 I HA 0.196 4.367 4.170 0.003 0.000 0.296 9 I C -0.796 174.998 176.117 -0.538 0.000 1.028 9 I CA -0.721 60.311 61.300 -0.446 0.000 1.082 9 I CB 2.519 40.144 38.000 -0.624 0.000 1.264 9 I HN -0.063 nan 8.210 nan 0.000 0.429 10 T N 4.161 118.390 114.554 -0.542 0.000 2.809 10 T HA 0.347 4.698 4.350 0.003 0.000 0.296 10 T C -1.129 173.350 174.700 -0.368 0.000 1.015 10 T CA -0.377 61.501 62.100 -0.370 0.000 0.954 10 T CB 0.270 69.035 68.868 -0.172 0.000 0.950 10 T HN 0.306 nan 8.240 nan 0.000 0.450 11 W N 2.696 123.928 121.300 -0.114 0.000 2.361 11 W HA 0.439 5.101 4.660 0.003 0.000 0.309 11 W C 0.536 176.975 176.519 -0.133 0.000 1.122 11 W CA -1.095 56.136 57.345 -0.190 0.000 1.208 11 W CB 0.709 29.926 29.460 -0.405 0.000 1.246 11 W HN 0.383 nan 8.180 nan 0.000 0.490 12 E N 2.019 122.310 120.200 0.151 0.000 2.392 12 E HA -0.087 4.265 4.350 0.003 0.000 0.259 12 E C 1.374 178.009 176.600 0.059 0.000 1.108 12 E CA 0.029 56.486 56.400 0.095 0.000 0.916 12 E CB 0.345 30.092 29.700 0.080 0.000 0.989 12 E HN 0.570 nan 8.360 nan 0.000 0.432 13 H N 2.816 121.864 119.070 -0.036 0.000 2.426 13 H HA -0.168 4.390 4.556 0.003 0.000 0.298 13 H C 1.359 176.642 175.328 -0.075 0.000 1.107 13 H CA 2.165 58.162 56.048 -0.084 0.000 1.298 13 H CB 0.554 30.245 29.762 -0.118 0.000 1.377 13 H HN 0.294 nan 8.280 nan 0.000 0.519 14 R N 0.871 121.352 120.500 -0.033 0.000 2.210 14 R HA 0.002 4.344 4.340 0.003 0.000 0.203 14 R C 1.993 178.284 176.300 -0.014 0.000 1.010 14 R CA 1.084 57.164 56.100 -0.034 0.000 1.008 14 R CB -0.520 29.808 30.300 0.047 0.000 0.923 14 R HN 0.523 nan 8.270 nan 0.000 0.469 15 E N 1.352 121.537 120.200 -0.025 0.000 2.216 15 E HA -0.009 4.343 4.350 0.003 0.000 0.192 15 E C 0.446 176.956 176.600 -0.150 0.000 0.988 15 E CA 0.687 57.066 56.400 -0.034 0.000 0.834 15 E CB -0.082 29.651 29.700 0.054 0.000 0.772 15 E HN 0.265 nan 8.360 nan 0.000 0.479 16 V N -0.831 118.927 119.914 -0.261 0.000 2.850 16 V HA 0.445 4.567 4.120 0.003 0.000 0.315 16 V C -0.837 175.193 176.094 -0.108 0.000 1.064 16 V CA -1.147 60.913 62.300 -0.400 0.000 0.979 16 V CB 1.532 32.716 31.823 -1.065 0.000 1.039 16 V HN -0.000 nan 8.190 nan 0.000 0.452 17 H N 2.789 121.765 119.070 -0.158 0.000 2.504 17 H HA 0.746 5.303 4.556 0.003 0.000 0.322 17 H C -0.720 174.552 175.328 -0.093 0.000 1.055 17 H CA -0.502 55.462 56.048 -0.142 0.000 1.231 17 H CB 1.239 30.936 29.762 -0.109 0.000 1.417 17 H HN 0.731 nan 8.280 nan 0.000 0.472 18 L N 4.327 125.351 121.223 -0.330 0.000 2.341 18 L HA 0.448 4.790 4.340 0.003 0.000 0.278 18 L C -0.392 176.303 176.870 -0.290 0.000 1.005 18 L CA -1.160 53.528 54.840 -0.253 0.000 0.818 18 L CB 1.911 43.808 42.059 -0.270 0.000 1.259 18 L HN 0.257 nan 8.230 nan 0.000 0.418 19 V N 2.822 122.615 119.914 -0.201 0.000 2.546 19 V HA 0.335 4.456 4.120 0.003 0.000 0.284 19 V C -0.057 175.972 176.094 -0.109 0.000 1.050 19 V CA -0.431 61.774 62.300 -0.159 0.000 0.981 19 V CB 1.418 33.149 31.823 -0.154 0.000 0.990 19 V HN 0.780 nan 8.190 nan 0.000 0.474 20 Q N 3.442 123.206 119.800 -0.061 0.000 2.394 20 Q HA 0.643 4.984 4.340 0.003 0.000 0.273 20 Q C -1.385 174.650 176.000 0.059 0.000 1.089 20 Q CA -0.604 55.193 55.803 -0.010 0.000 0.812 20 Q CB 3.201 31.926 28.738 -0.022 0.000 1.353 20 Q HN 0.665 nan 8.270 nan 0.000 0.438 21 F N 2.627 122.530 119.950 -0.079 0.000 2.565 21 F HA 0.573 5.102 4.527 0.002 0.000 0.313 21 F C -1.169 174.514 175.800 -0.195 0.000 1.091 21 F CA -0.265 57.650 58.000 -0.141 0.000 0.915 21 F CB 1.648 40.537 39.000 -0.185 0.000 1.208 21 F HN 0.665 nan 8.300 nan 0.000 0.453 22 H N 2.815 120.943 119.070 -1.570 0.000 3.081 22 H HA 0.333 4.891 4.556 0.003 0.000 0.322 22 H C -2.241 172.445 175.328 -1.070 0.000 1.266 22 H CA -0.887 54.465 56.048 -1.160 0.000 1.279 22 H CB 1.534 30.944 29.762 -0.586 0.000 1.954 22 H HN 0.619 nan 8.280 nan 0.000 0.530 23 E N 2.886 122.692 120.200 -0.657 0.000 2.183 23 E HA 0.435 4.787 4.350 0.003 0.000 0.271 23 E C -2.725 173.777 176.600 -0.164 0.000 0.919 23 E CA -2.306 53.833 56.400 -0.435 0.000 0.781 23 E CB 1.717 31.346 29.700 -0.119 0.000 1.140 23 E HN 0.403 nan 8.360 nan 0.000 0.402 24 P HA 0.083 nan 4.420 nan 0.000 0.264 24 P C -0.745 176.531 177.300 -0.040 0.000 1.193 24 P CA 0.477 63.551 63.100 -0.043 0.000 0.763 24 P CB 0.414 32.102 31.700 -0.021 0.000 0.810 25 D N -0.139 120.193 120.400 -0.114 0.000 2.946 25 D HA -0.152 4.490 4.640 0.003 0.000 0.202 25 D C 0.093 176.275 176.300 -0.196 0.000 1.068 25 D CA 1.039 54.996 54.000 -0.073 0.000 1.011 25 D CB -0.798 40.038 40.800 0.060 0.000 1.105 25 D HN 0.270 nan 8.370 nan 0.000 0.425 26 I N 1.072 121.468 120.570 -0.289 0.000 2.353 26 I HA 0.316 4.487 4.170 0.003 0.000 0.293 26 I C 0.513 176.309 176.117 -0.535 0.000 0.992 26 I CA -0.234 60.953 61.300 -0.189 0.000 1.268 26 I CB 0.537 38.606 38.000 0.114 0.000 1.387 26 I HN -0.127 nan 8.210 nan 0.000 0.478 27 Y N 3.450 123.663 120.300 -0.145 0.000 2.790 27 Y HA 0.381 4.933 4.550 0.003 0.000 0.323 27 Y C 0.388 176.072 175.900 -0.360 0.000 1.230 27 Y CA -1.244 56.758 58.100 -0.163 0.000 1.121 27 Y CB 0.780 39.236 38.460 -0.006 0.000 1.328 27 Y HN 0.539 nan 8.280 nan 0.000 0.514 28 N N 0.458 119.224 118.700 0.110 0.000 2.608 28 N HA -0.248 4.494 4.740 0.003 0.000 0.273 28 N C -1.730 173.787 175.510 0.013 0.000 1.133 28 N CA 0.481 53.600 53.050 0.115 0.000 0.726 28 N CB -1.421 37.174 38.487 0.180 0.000 0.890 28 N HN 0.582 nan 8.380 nan 0.000 0.548 29 Y N -0.056 120.357 120.300 0.190 0.000 2.636 29 Y HA 0.170 4.722 4.550 0.002 0.000 0.334 29 Y C 1.384 177.403 175.900 0.199 0.000 1.286 29 Y CA -0.349 57.876 58.100 0.208 0.000 1.688 29 Y CB 0.487 39.079 38.460 0.221 0.000 1.662 29 Y HN 0.205 nan 8.280 nan 0.000 0.465 30 S N 0.828 116.700 115.700 0.285 0.000 2.535 30 S HA 0.336 4.808 4.470 0.003 0.000 0.214 30 S C 0.806 175.570 174.600 0.274 0.000 0.980 30 S CA -0.054 58.312 58.200 0.276 0.000 0.907 30 S CB 0.400 63.770 63.200 0.285 0.000 0.790 30 S HN 0.509 nan 8.310 nan 0.000 0.510 31 A N 1.797 124.771 122.820 0.256 0.000 2.335 31 A HA 0.767 5.089 4.320 0.003 0.000 0.304 31 A C -0.861 176.859 177.584 0.225 0.000 1.118 31 A CA -0.565 51.613 52.037 0.235 0.000 0.757 31 A CB 0.761 19.880 19.000 0.198 0.000 1.188 31 A HN 0.332 nan 8.150 nan 0.000 0.460 32 L N 2.561 123.908 121.223 0.206 0.000 2.365 32 L HA 0.774 5.116 4.340 0.003 0.000 0.273 32 L C -0.999 175.963 176.870 0.152 0.000 1.000 32 L CA -0.917 54.021 54.840 0.164 0.000 0.819 32 L CB 2.002 44.145 42.059 0.141 0.000 1.284 32 L HN 0.647 nan 8.230 nan 0.000 0.418 33 L N 3.355 124.663 121.223 0.143 0.000 2.493 33 L HA 0.557 4.898 4.340 0.003 0.000 0.265 33 L C -1.485 175.456 176.870 0.118 0.000 0.954 33 L CA -0.066 54.876 54.840 0.169 0.000 0.844 33 L CB 2.050 44.252 42.059 0.238 0.000 1.302 33 L HN 0.457 nan 8.230 nan 0.000 0.405 34 L N 3.102 124.363 121.223 0.064 0.000 2.312 34 L HA 0.484 4.826 4.340 0.003 0.000 0.281 34 L C 0.647 177.543 176.870 0.043 0.000 1.070 34 L CA -0.277 54.542 54.840 -0.035 0.000 0.805 34 L CB 1.819 43.868 42.059 -0.018 0.000 1.174 34 L HN 0.774 nan 8.230 nan 0.000 0.434 35 S N 1.756 117.412 115.700 -0.073 0.000 2.552 35 S HA -0.027 4.445 4.470 0.003 0.000 0.289 35 S C 1.320 175.970 174.600 0.084 0.000 1.304 35 S CA -0.429 57.816 58.200 0.074 0.000 1.063 35 S CB 0.509 63.667 63.200 -0.069 0.000 0.848 35 S HN 0.746 nan 8.310 nan 0.000 0.499 36 E N 3.309 123.584 120.200 0.124 0.000 2.077 36 E HA -0.185 4.167 4.350 0.003 0.000 0.193 36 E C 0.554 177.190 176.600 0.060 0.000 0.989 36 E CA 1.427 57.877 56.400 0.084 0.000 0.800 36 E CB -0.164 29.584 29.700 0.082 0.000 0.746 36 E HN 0.677 nan 8.360 nan 0.000 0.452 37 D N 0.686 121.123 120.400 0.062 0.000 3.032 37 D HA 0.117 4.759 4.640 0.003 0.000 0.280 37 D C -0.061 176.256 176.300 0.029 0.000 1.381 37 D CA 0.184 54.210 54.000 0.043 0.000 1.068 37 D CB 0.181 41.008 40.800 0.046 0.000 1.148 37 D HN -0.108 nan 8.370 nan 0.000 0.401 38 K N 0.871 121.290 120.400 0.031 0.000 2.508 38 K HA 0.055 4.376 4.320 0.003 0.000 0.273 38 K C -0.583 175.996 176.600 -0.035 0.000 0.964 38 K CA 0.581 56.869 56.287 0.002 0.000 0.948 38 K CB 0.192 32.698 32.500 0.009 0.000 0.917 38 K HN 0.079 nan 8.250 nan 0.000 0.512 39 D N 1.155 121.527 120.400 -0.046 0.000 2.896 39 D HA 0.098 4.740 4.640 0.003 0.000 0.240 39 D C -0.957 175.265 176.300 -0.129 0.000 1.193 39 D CA 0.013 53.980 54.000 -0.056 0.000 0.983 39 D CB 0.328 41.116 40.800 -0.019 0.000 1.074 39 D HN 0.251 nan 8.370 nan 0.000 0.496 40 T N 0.697 115.118 114.554 -0.222 0.000 2.863 40 T HA 0.490 4.841 4.350 0.003 0.000 0.285 40 T C -0.864 173.502 174.700 -0.556 0.000 1.009 40 T CA -0.727 61.141 62.100 -0.386 0.000 0.989 40 T CB 1.689 70.277 68.868 -0.466 0.000 1.004 40 T HN 0.066 nan 8.240 nan 0.000 0.455 41 L N 3.518 124.418 121.223 -0.537 0.000 2.298 41 L HA 0.578 4.919 4.340 0.003 0.000 0.284 41 L C -1.634 174.992 176.870 -0.407 0.000 1.013 41 L CA -0.574 53.963 54.840 -0.505 0.000 0.824 41 L CB 0.368 42.103 42.059 -0.540 0.000 1.221 41 L HN 0.546 nan 8.230 nan 0.000 0.418 42 Y N 5.783 126.058 120.300 -0.042 0.000 2.327 42 Y HA 0.553 5.104 4.550 0.002 0.000 0.336 42 Y C 0.009 175.950 175.900 0.068 0.000 1.035 42 Y CA -0.517 57.613 58.100 0.051 0.000 1.165 42 Y CB 0.883 39.398 38.460 0.092 0.000 1.181 42 Y HN 0.422 nan 8.280 nan 0.000 0.494 43 I N 2.655 123.401 120.570 0.294 0.000 2.436 43 I HA 0.504 4.675 4.170 0.003 0.000 0.289 43 I C 0.360 176.694 176.117 0.362 0.000 1.010 43 I CA -0.720 60.768 61.300 0.313 0.000 1.098 43 I CB 1.975 40.175 38.000 0.334 0.000 1.266 43 I HN 0.780 nan 8.210 nan 0.000 0.434 44 G N 4.580 113.546 108.800 0.275 0.000 2.384 44 G HA2 0.714 4.676 3.960 0.003 0.000 0.316 44 G HA3 0.714 4.676 3.960 0.003 0.000 0.316 44 G C -0.375 174.625 174.900 0.167 0.000 1.160 44 G CA -0.186 45.024 45.100 0.185 0.000 0.936 44 G HN 0.741 nan 8.290 nan 0.000 0.455 45 A N 3.053 125.932 122.820 0.097 0.000 2.889 45 A HA 0.848 5.170 4.320 0.003 0.000 0.235 45 A C 0.511 178.005 177.584 -0.149 0.000 1.307 45 A CA -0.912 51.074 52.037 -0.086 0.000 0.917 45 A CB 0.740 19.544 19.000 -0.326 0.000 1.546 45 A HN 0.671 nan 8.150 nan 0.000 0.472 46 R N 0.359 120.699 120.500 -0.267 0.000 2.242 46 R HA 0.280 4.622 4.340 0.003 0.000 0.334 46 R C -0.635 175.503 176.300 -0.270 0.000 1.071 46 R CA 0.507 56.356 56.100 -0.419 0.000 0.922 46 R CB -0.256 29.637 30.300 -0.678 0.000 1.023 46 R HN 0.746 nan 8.270 nan 0.000 0.458 47 E N 0.288 120.342 120.200 -0.243 0.000 3.763 47 E HA -0.230 4.122 4.350 0.003 0.000 0.319 47 E C -1.057 175.517 176.600 -0.043 0.000 0.804 47 E CA 1.005 57.334 56.400 -0.117 0.000 1.196 47 E CB -1.483 28.194 29.700 -0.038 0.000 1.607 47 E HN 0.706 nan 8.360 nan 0.000 0.431 48 A N -0.236 122.494 122.820 -0.150 0.000 2.606 48 A HA 0.726 5.048 4.320 0.003 0.000 0.293 48 A C -0.991 176.370 177.584 -0.372 0.000 1.082 48 A CA -0.302 51.484 52.037 -0.419 0.000 0.685 48 A CB 2.321 20.883 19.000 -0.730 0.000 1.284 48 A HN 0.127 nan 8.150 nan 0.000 0.408 49 V N 1.243 120.810 119.914 -0.579 0.000 2.567 49 V HA 0.544 4.665 4.120 0.003 0.000 0.298 49 V C -1.322 174.576 176.094 -0.327 0.000 1.047 49 V CA -0.225 61.916 62.300 -0.266 0.000 0.880 49 V CB 1.036 32.806 31.823 -0.089 0.000 1.009 49 V HN 0.726 nan 8.190 nan 0.000 0.429 50 F N 2.245 122.308 119.950 0.189 0.000 2.541 50 F HA 0.889 5.417 4.527 0.003 0.000 0.331 50 F C 0.498 176.394 175.800 0.160 0.000 1.057 50 F CA -0.885 57.195 58.000 0.133 0.000 0.975 50 F CB 1.834 40.807 39.000 -0.045 0.000 1.246 50 F HN 0.526 nan 8.300 nan 0.000 0.484 51 A N 1.515 124.421 122.820 0.144 0.000 2.335 51 A HA 0.783 5.105 4.320 0.003 0.000 0.304 51 A C -1.054 176.406 177.584 -0.207 0.000 1.118 51 A CA -0.629 51.417 52.037 0.014 0.000 0.757 51 A CB 1.017 19.961 19.000 -0.093 0.000 1.188 51 A HN 0.916 nan 8.150 nan 0.000 0.460 52 V N 0.444 120.175 119.914 -0.305 0.000 3.141 52 V HA 0.666 4.787 4.120 0.003 0.000 0.312 52 V C -0.278 175.644 176.094 -0.287 0.000 1.157 52 V CA -1.254 60.841 62.300 -0.342 0.000 1.041 52 V CB 1.950 33.463 31.823 -0.517 0.000 1.071 52 V HN 0.755 nan 8.190 nan 0.000 0.441 53 N N 1.594 120.161 118.700 -0.222 0.000 2.438 53 N HA 0.333 5.075 4.740 0.003 0.000 0.267 53 N C 1.035 176.444 175.510 -0.169 0.000 1.222 53 N CA 0.640 53.586 53.050 -0.173 0.000 0.930 53 N CB 1.442 39.852 38.487 -0.128 0.000 1.083 53 N HN 1.042 nan 8.380 nan 0.000 0.476 54 A N 4.511 127.237 122.820 -0.157 0.000 2.125 54 A HA -0.065 4.257 4.320 0.003 0.000 0.219 54 A C 1.893 179.458 177.584 -0.031 0.000 1.156 54 A CA 0.919 52.897 52.037 -0.098 0.000 0.671 54 A CB -0.288 18.672 19.000 -0.067 0.000 0.794 54 A HN 0.763 nan 8.150 nan 0.000 0.459 55 L N -1.373 119.801 121.223 -0.081 0.000 2.446 55 L HA 0.106 4.448 4.340 0.003 0.000 0.219 55 L C 0.621 177.331 176.870 -0.268 0.000 1.116 55 L CA 0.402 55.162 54.840 -0.133 0.000 0.844 55 L CB -0.014 42.043 42.059 -0.004 0.000 0.970 55 L HN 0.458 nan 8.230 nan 0.000 0.457 56 N N 0.094 118.678 118.700 -0.193 0.000 2.946 56 N HA 0.051 4.793 4.740 0.003 0.000 0.213 56 N C 0.593 176.031 175.510 -0.120 0.000 1.440 56 N CA -0.178 52.772 53.050 -0.167 0.000 0.745 56 N CB 0.271 38.691 38.487 -0.110 0.000 1.471 56 N HN 0.199 nan 8.380 nan 0.000 0.569 57 I N -0.269 120.235 120.570 -0.110 0.000 2.502 57 I HA -0.178 3.994 4.170 0.003 0.000 0.258 57 I C 1.586 177.709 176.117 0.009 0.000 1.172 57 I CA 1.761 63.007 61.300 -0.089 0.000 1.430 57 I CB -0.250 37.733 38.000 -0.029 0.000 1.086 57 I HN 0.360 nan 8.210 nan 0.000 0.440 58 S N -0.100 115.629 115.700 0.049 0.000 2.515 58 S HA -0.015 4.457 4.470 0.003 0.000 0.231 58 S C 0.951 175.618 174.600 0.112 0.000 0.987 58 S CA 0.325 58.601 58.200 0.127 0.000 0.936 58 S CB -0.458 62.758 63.200 0.026 0.000 0.766 58 S HN 0.478 nan 8.310 nan 0.000 0.528 59 E N 2.433 122.645 120.200 0.020 0.000 1.993 59 E HA 0.280 4.631 4.350 0.003 0.000 0.271 59 E C -0.543 176.023 176.600 -0.056 0.000 1.008 59 E CA -0.148 56.242 56.400 -0.016 0.000 0.814 59 E CB 0.880 30.548 29.700 -0.053 0.000 1.098 59 E HN 0.401 nan 8.360 nan 0.000 0.407 60 K N 2.135 122.539 120.400 0.007 0.000 2.436 60 K HA -0.005 4.317 4.320 0.003 0.000 0.275 60 K C 0.772 177.297 176.600 -0.126 0.000 0.999 60 K CA 0.489 56.755 56.287 -0.034 0.000 0.980 60 K CB 0.672 33.258 32.500 0.143 0.000 0.919 60 K HN 0.497 nan 8.250 nan 0.000 0.484 61 Q N 1.326 120.994 119.800 -0.219 0.000 2.477 61 Q HA 0.080 4.422 4.340 0.003 0.000 0.252 61 Q C -0.139 175.457 176.000 -0.674 0.000 0.869 61 Q CA 0.355 55.921 55.803 -0.395 0.000 0.969 61 Q CB 0.837 29.357 28.738 -0.365 0.000 1.144 61 Q HN 0.633 nan 8.270 nan 0.000 0.577 62 H N -0.687 118.195 119.070 -0.314 0.000 2.981 62 H HA 0.292 4.850 4.556 0.003 0.000 0.327 62 H C -1.373 173.819 175.328 -0.226 0.000 1.342 62 H CA -0.912 54.859 56.048 -0.461 0.000 1.123 62 H CB 1.868 30.821 29.762 -1.347 0.000 1.851 62 H HN 0.020 nan 8.280 nan 0.000 0.531 63 E N 0.814 121.084 120.200 0.116 0.000 2.451 63 E HA 0.484 4.836 4.350 0.003 0.000 0.295 63 E C -2.024 174.663 176.600 0.145 0.000 0.966 63 E CA -0.742 55.728 56.400 0.115 0.000 0.808 63 E CB 2.210 32.059 29.700 0.248 0.000 1.242 63 E HN 0.330 nan 8.360 nan 0.000 0.412 64 V N 4.022 123.885 119.914 -0.085 0.000 2.876 64 V HA 0.646 4.768 4.120 0.003 0.000 0.312 64 V C -1.831 174.123 176.094 -0.233 0.000 1.085 64 V CA -0.433 61.842 62.300 -0.041 0.000 0.945 64 V CB 1.684 33.354 31.823 -0.254 0.000 1.017 64 V HN 0.746 nan 8.190 nan 0.000 0.428 65 Y N 3.850 124.209 120.300 0.099 0.000 2.549 65 Y HA 0.635 5.186 4.550 0.003 0.000 0.339 65 Y C -0.626 175.461 175.900 0.311 0.000 1.053 65 Y CA -0.375 57.814 58.100 0.149 0.000 1.105 65 Y CB 2.128 40.642 38.460 0.091 0.000 1.258 65 Y HN 0.721 nan 8.280 nan 0.000 0.478 66 W N 4.209 125.597 121.300 0.147 0.000 1.752 66 W HA 0.379 5.042 4.660 0.004 0.000 0.308 66 W C -1.635 174.870 176.519 -0.024 0.000 0.978 66 W CA -1.553 55.792 57.345 0.000 0.000 1.401 66 W CB 0.440 29.789 29.460 -0.185 0.000 1.522 66 W HN 0.457 nan 8.180 nan 0.000 0.359 67 K N 1.798 122.365 120.400 0.278 0.000 2.098 67 K HA 0.543 4.865 4.320 0.003 0.000 0.257 67 K C 0.209 176.872 176.600 0.105 0.000 0.999 67 K CA -0.880 55.480 56.287 0.121 0.000 0.924 67 K CB 2.082 34.649 32.500 0.111 0.000 1.028 67 K HN 0.058 nan 8.250 nan 0.000 0.466 68 V N -0.385 119.545 119.914 0.028 0.000 2.465 68 V HA 0.203 4.324 4.120 0.003 0.000 0.279 68 V C 0.365 176.486 176.094 0.044 0.000 1.045 68 V CA -0.615 61.704 62.300 0.032 0.000 0.938 68 V CB 1.108 32.929 31.823 -0.004 0.000 0.986 68 V HN 0.918 nan 8.190 nan 0.000 0.467 69 S N 2.907 118.637 115.700 0.050 0.000 2.572 69 S HA 0.027 4.499 4.470 0.003 0.000 0.267 69 S C 0.986 175.606 174.600 0.033 0.000 1.361 69 S CA 0.806 59.030 58.200 0.040 0.000 1.009 69 S CB 0.654 63.876 63.200 0.036 0.000 0.888 69 S HN 1.175 nan 8.310 nan 0.000 0.553 70 E N 0.656 120.873 120.200 0.028 0.000 2.268 70 E HA -0.144 4.208 4.350 0.003 0.000 0.195 70 E C 1.304 177.918 176.600 0.024 0.000 0.995 70 E CA 1.657 58.072 56.400 0.025 0.000 0.836 70 E CB -0.408 29.305 29.700 0.021 0.000 0.763 70 E HN 0.807 nan 8.360 nan 0.000 0.491 71 D N 0.482 120.896 120.400 0.023 0.000 2.081 71 D HA -0.189 4.453 4.640 0.003 0.000 0.194 71 D C 1.511 177.827 176.300 0.026 0.000 0.986 71 D CA 1.789 55.801 54.000 0.021 0.000 0.837 71 D CB -0.175 40.637 40.800 0.020 0.000 0.985 71 D HN 0.075 nan 8.370 nan 0.000 0.448 72 K N -0.044 120.375 120.400 0.032 0.000 2.209 72 K HA -0.086 4.236 4.320 0.003 0.000 0.204 72 K C 2.133 178.762 176.600 0.048 0.000 1.048 72 K CA 0.950 57.261 56.287 0.041 0.000 0.940 72 K CB -0.127 32.400 32.500 0.044 0.000 0.729 72 K HN 0.102 nan 8.250 nan 0.000 0.451 73 K N 0.352 120.778 120.400 0.042 0.000 2.063 73 K HA -0.126 4.196 4.320 0.003 0.000 0.208 73 K C 1.910 178.533 176.600 0.038 0.000 1.048 73 K CA 1.471 57.785 56.287 0.045 0.000 0.928 73 K CB -0.093 32.430 32.500 0.038 0.000 0.713 73 K HN 0.198 nan 8.250 nan 0.000 0.442 74 A N 1.081 123.918 122.820 0.028 0.000 1.903 74 A HA -0.111 4.210 4.320 0.003 0.000 0.213 74 A C 1.951 179.544 177.584 0.015 0.000 1.185 74 A CA 1.338 53.386 52.037 0.018 0.000 0.628 74 A CB -0.486 18.522 19.000 0.014 0.000 0.830 74 A HN 0.329 nan 8.150 nan 0.000 0.446 75 K N 0.060 120.472 120.400 0.021 0.000 2.113 75 K HA -0.239 4.083 4.320 0.003 0.000 0.208 75 K C 2.066 178.680 176.600 0.023 0.000 1.047 75 K CA 1.994 58.292 56.287 0.019 0.000 0.928 75 K CB -0.694 31.823 32.500 0.028 0.000 0.716 75 K HN 0.512 nan 8.250 nan 0.000 0.446 76 c N 0.588 119.215 118.600 0.044 0.000 2.466 76 c HA 0.204 4.776 4.570 0.003 0.000 0.278 76 c C 2.873 176.958 174.090 -0.009 0.000 1.288 76 c CA 0.907 57.267 56.329 0.052 0.000 1.722 76 c CB -0.950 41.627 42.510 0.111 0.000 2.017 76 c HN 0.576 nan 8.230 nan 0.000 0.488 77 A N -0.175 122.644 122.820 -0.001 0.000 2.067 77 A HA -0.101 4.221 4.320 0.003 0.000 0.219 77 A C 1.944 179.511 177.584 -0.028 0.000 1.158 77 A CA 1.822 53.849 52.037 -0.017 0.000 0.661 77 A CB -0.626 18.374 19.000 0.001 0.000 0.801 77 A HN 0.691 nan 8.150 nan 0.000 0.452 78 E N 0.152 120.338 120.200 -0.023 0.000 2.427 78 E HA -0.004 4.347 4.350 0.003 0.000 0.196 78 E C 1.351 177.918 176.600 -0.055 0.000 1.028 78 E CA 0.803 57.184 56.400 -0.032 0.000 0.864 78 E CB -0.087 29.599 29.700 -0.024 0.000 0.813 78 E HN 0.598 nan 8.360 nan 0.000 0.514 79 K N -1.259 119.101 120.400 -0.067 0.000 2.417 79 K HA 0.216 4.538 4.320 0.003 0.000 0.196 79 K C 0.692 177.234 176.600 -0.097 0.000 1.023 79 K CA 0.466 56.685 56.287 -0.113 0.000 1.122 79 K CB 0.691 33.118 32.500 -0.122 0.000 0.850 79 K HN 0.185 nan 8.250 nan 0.000 0.521 80 G N 1.541 110.297 108.800 -0.073 0.000 2.141 80 G HA2 -0.199 3.763 3.960 0.003 0.000 0.231 80 G HA3 -0.199 3.763 3.960 0.003 0.000 0.231 80 G C -0.155 174.702 174.900 -0.072 0.000 0.984 80 G CA -0.167 44.899 45.100 -0.057 0.000 0.660 80 G HN 0.042 nan 8.290 nan 0.000 0.525 81 K N 0.780 121.107 120.400 -0.122 0.000 2.095 81 K HA 0.632 4.953 4.320 0.003 0.000 0.252 81 K C 0.630 177.193 176.600 -0.062 0.000 0.977 81 K CA -0.096 56.090 56.287 -0.167 0.000 0.900 81 K CB 1.459 33.702 32.500 -0.429 0.000 1.060 81 K HN 0.477 nan 8.250 nan 0.000 0.449 82 S N 1.848 117.539 115.700 -0.016 0.000 2.430 82 S HA 0.056 4.528 4.470 0.003 0.000 0.282 82 S C 1.021 175.646 174.600 0.041 0.000 1.186 82 S CA -0.291 57.919 58.200 0.018 0.000 1.060 82 S CB 0.478 63.698 63.200 0.032 0.000 0.966 82 S HN 0.507 nan 8.310 nan 0.000 0.501 83 K N 2.887 123.305 120.400 0.031 0.000 2.211 83 K HA -0.165 4.156 4.320 0.003 0.000 0.204 83 K C 1.045 177.676 176.600 0.053 0.000 1.047 83 K CA 1.715 58.027 56.287 0.041 0.000 0.935 83 K CB -0.033 32.483 32.500 0.027 0.000 0.728 83 K HN 0.898 nan 8.250 nan 0.000 0.452 84 Q N -1.452 118.378 119.800 0.050 0.000 2.282 84 Q HA 0.041 4.383 4.340 0.003 0.000 0.206 84 Q C 1.187 177.227 176.000 0.066 0.000 0.878 84 Q CA 0.643 56.476 55.803 0.051 0.000 0.944 84 Q CB 0.760 29.520 28.738 0.037 0.000 1.100 84 Q HN 0.328 nan 8.270 nan 0.000 0.509 85 T N -4.159 110.452 114.554 0.094 0.000 3.254 85 T HA 0.184 4.536 4.350 0.003 0.000 0.267 85 T C 1.482 176.324 174.700 0.237 0.000 0.946 85 T CA 0.057 62.241 62.100 0.140 0.000 0.991 85 T CB -0.211 68.718 68.868 0.102 0.000 1.205 85 T HN 0.059 nan 8.240 nan 0.000 0.494 86 E N 0.341 120.660 120.200 0.198 0.000 2.140 86 E HA 0.135 4.487 4.350 0.003 0.000 0.191 86 E C 0.525 177.339 176.600 0.356 0.000 0.973 86 E CA 0.613 57.177 56.400 0.274 0.000 0.829 86 E CB 0.097 29.965 29.700 0.281 0.000 0.781 86 E HN 0.451 nan 8.360 nan 0.000 0.466 87 c N 2.652 121.401 118.600 0.248 0.000 2.694 87 c HA 0.225 4.797 4.570 0.003 0.000 0.455 87 c C -0.081 174.090 174.090 0.136 0.000 1.293 87 c CA -0.419 56.039 56.329 0.216 0.000 1.614 87 c CB -1.840 40.749 42.510 0.131 0.000 2.015 87 c HN 0.193 nan 8.230 nan 0.000 0.608 88 L N 0.816 122.126 121.223 0.146 0.000 2.279 88 L HA 0.462 4.803 4.340 0.003 0.000 0.262 88 L C 0.011 176.855 176.870 -0.044 0.000 1.019 88 L CA -0.321 54.527 54.840 0.013 0.000 0.823 88 L CB 0.804 42.816 42.059 -0.078 0.000 1.358 88 L HN 0.102 nan 8.230 nan 0.000 0.432 89 N N 0.633 119.208 118.700 -0.209 0.000 2.602 89 N HA 0.151 4.893 4.740 0.003 0.000 0.238 89 N C -1.235 174.063 175.510 -0.353 0.000 1.084 89 N CA -0.028 52.812 53.050 -0.350 0.000 0.952 89 N CB -0.310 37.822 38.487 -0.592 0.000 1.244 89 N HN 0.256 nan 8.380 nan 0.000 0.512 90 Y N 3.377 123.481 120.300 -0.327 0.000 2.393 90 Y HA 0.223 4.776 4.550 0.004 0.000 0.338 90 Y C 0.761 176.461 175.900 -0.334 0.000 1.029 90 Y CA -0.784 57.154 58.100 -0.272 0.000 1.239 90 Y CB 0.662 38.975 38.460 -0.245 0.000 1.170 90 Y HN 0.274 nan 8.280 nan 0.000 0.515 91 I N 4.479 124.961 120.570 -0.146 0.000 2.556 91 I HA 0.022 4.193 4.170 0.003 0.000 0.284 91 I C 0.861 176.888 176.117 -0.150 0.000 1.114 91 I CA 0.304 61.503 61.300 -0.167 0.000 1.418 91 I CB 1.311 39.268 38.000 -0.072 0.000 1.394 91 I HN 0.729 nan 8.210 nan 0.000 0.552 92 R N 3.529 123.891 120.500 -0.229 0.000 2.435 92 R HA 0.304 4.646 4.340 0.003 0.000 0.221 92 R C -0.625 175.602 176.300 -0.121 0.000 0.885 92 R CA 0.368 56.261 56.100 -0.346 0.000 1.018 92 R CB 0.748 30.691 30.300 -0.595 0.000 1.259 92 R HN 0.454 nan 8.270 nan 0.000 0.597 93 V N 1.678 121.549 119.914 -0.072 0.000 2.531 93 V HA 0.457 4.579 4.120 0.003 0.000 0.301 93 V C -1.477 174.633 176.094 0.027 0.000 1.034 93 V CA -0.875 61.438 62.300 0.020 0.000 0.865 93 V CB 1.861 33.689 31.823 0.009 0.000 0.995 93 V HN -0.006 nan 8.190 nan 0.000 0.424 94 L N 5.441 126.715 121.223 0.085 0.000 2.492 94 L HA 0.618 4.960 4.340 0.003 0.000 0.258 94 L C -0.670 176.261 176.870 0.102 0.000 1.028 94 L CA 0.255 55.144 54.840 0.080 0.000 0.900 94 L CB 1.268 43.390 42.059 0.105 0.000 1.191 94 L HN 0.620 nan 8.230 nan 0.000 0.459 95 Q N 4.720 124.582 119.800 0.103 0.000 2.433 95 Q HA 0.627 4.969 4.340 0.003 0.000 0.279 95 Q C -2.765 173.277 176.000 0.070 0.000 1.105 95 Q CA -1.909 53.962 55.803 0.113 0.000 0.815 95 Q CB 2.446 31.282 28.738 0.163 0.000 1.403 95 Q HN 0.347 nan 8.270 nan 0.000 0.435 96 P HA 0.209 nan 4.420 nan 0.000 0.281 96 P C -0.063 177.237 177.300 0.001 0.000 1.252 96 P CA -0.070 63.041 63.100 0.019 0.000 0.778 96 P CB 1.255 32.984 31.700 0.048 0.000 0.895 97 L N 1.949 123.146 121.223 -0.042 0.000 2.435 97 L HA 0.137 4.478 4.340 0.003 0.000 0.195 97 L C 1.056 177.892 176.870 -0.057 0.000 1.072 97 L CA 0.851 55.642 54.840 -0.082 0.000 0.833 97 L CB 0.239 42.190 42.059 -0.179 0.000 1.081 97 L HN 0.533 nan 8.230 nan 0.000 0.485 98 S N -2.844 112.827 115.700 -0.049 0.000 2.656 98 S HA 0.501 4.972 4.470 0.003 0.000 0.273 98 S C 0.459 175.053 174.600 -0.009 0.000 1.168 98 S CA -0.197 57.990 58.200 -0.022 0.000 0.817 98 S CB 1.346 64.533 63.200 -0.022 0.000 1.146 98 S HN 0.072 nan 8.310 nan 0.000 0.475 99 A N 0.973 123.798 122.820 0.008 0.000 1.986 99 A HA 0.005 4.327 4.320 0.003 0.000 0.220 99 A C 1.863 179.459 177.584 0.020 0.000 1.171 99 A CA 2.290 54.341 52.037 0.024 0.000 0.640 99 A CB -1.494 17.522 19.000 0.027 0.000 0.811 99 A HN 1.460 nan 8.150 nan 0.000 0.451 100 T N -4.240 110.313 114.554 -0.001 0.000 3.092 100 T HA 0.457 4.809 4.350 0.003 0.000 0.258 100 T C 0.272 174.939 174.700 -0.056 0.000 1.031 100 T CA 0.443 62.536 62.100 -0.013 0.000 0.925 100 T CB 0.059 68.924 68.868 -0.006 0.000 1.036 100 T HN 0.271 nan 8.240 nan 0.000 0.544 101 S N 0.394 116.048 115.700 -0.077 0.000 2.541 101 S HA 0.740 5.211 4.470 0.003 0.000 0.271 101 S C -1.675 172.829 174.600 -0.160 0.000 1.133 101 S CA -0.862 57.261 58.200 -0.128 0.000 0.876 101 S CB 1.152 64.292 63.200 -0.100 0.000 1.105 101 S HN 0.383 nan 8.310 nan 0.000 0.470 102 L N 3.520 124.620 121.223 -0.204 0.000 2.365 102 L HA 0.521 4.862 4.340 0.003 0.000 0.273 102 L C -1.294 175.534 176.870 -0.071 0.000 1.000 102 L CA -0.935 53.803 54.840 -0.169 0.000 0.819 102 L CB 1.710 43.594 42.059 -0.293 0.000 1.284 102 L HN 0.728 nan 8.230 nan 0.000 0.418 103 Y N 3.108 123.319 120.300 -0.149 0.000 2.365 103 Y HA 0.488 5.039 4.550 0.003 0.000 0.340 103 Y C -0.515 175.397 175.900 0.021 0.000 1.016 103 Y CA -0.508 57.536 58.100 -0.093 0.000 1.196 103 Y CB 1.053 39.462 38.460 -0.086 0.000 1.167 103 Y HN 0.184 nan 8.280 nan 0.000 0.509 104 V N 5.494 125.233 119.914 -0.292 0.000 2.588 104 V HA 0.496 4.617 4.120 0.003 0.000 0.304 104 V C -0.740 175.236 176.094 -0.197 0.000 1.042 104 V CA -0.970 61.257 62.300 -0.122 0.000 0.877 104 V CB 1.383 33.324 31.823 0.196 0.000 0.996 104 V HN 0.881 nan 8.190 nan 0.000 0.425 105 c N 2.759 121.243 118.600 -0.193 0.000 2.712 105 c HA 1.003 5.575 4.570 0.003 0.000 0.308 105 c C 0.626 174.518 174.090 -0.329 0.000 1.201 105 c CA -0.613 55.574 56.329 -0.238 0.000 1.554 105 c CB 1.370 43.741 42.510 -0.231 0.000 2.117 105 c HN 1.167 nan 8.230 nan 0.000 0.480 106 G N 0.232 108.724 108.800 -0.513 0.000 2.660 106 G HA2 0.544 4.506 3.960 0.003 0.000 0.294 106 G HA3 0.544 4.506 3.960 0.003 0.000 0.294 106 G C 0.594 175.180 174.900 -0.522 0.000 1.369 106 G CA 0.359 45.111 45.100 -0.582 0.000 0.912 106 G HN 0.823 nan 8.290 nan 0.000 0.479 107 T N -1.410 112.885 114.554 -0.431 0.000 2.833 107 T HA -0.144 4.208 4.350 0.003 0.000 0.269 107 T C 1.198 175.651 174.700 -0.412 0.000 1.054 107 T CA 1.314 63.151 62.100 -0.438 0.000 1.135 107 T CB -0.415 68.199 68.868 -0.423 0.000 0.869 107 T HN 1.099 nan 8.240 nan 0.000 0.466 108 N N 1.410 119.868 118.700 -0.403 0.000 2.667 108 N HA -0.277 4.465 4.740 0.003 0.000 0.263 108 N C 0.166 175.586 175.510 -0.150 0.000 1.038 108 N CA 0.222 53.068 53.050 -0.341 0.000 0.749 108 N CB -1.518 36.741 38.487 -0.380 0.000 0.892 108 N HN 1.236 nan 8.380 nan 0.000 0.546 109 A N 1.422 124.210 122.820 -0.054 0.000 2.303 109 A HA -0.208 4.114 4.320 0.003 0.000 0.286 109 A C 0.807 178.545 177.584 0.257 0.000 1.429 109 A CA 1.100 53.219 52.037 0.137 0.000 0.738 109 A CB -2.413 16.649 19.000 0.104 0.000 1.149 109 A HN 0.988 nan 8.150 nan 0.000 0.364 110 F N -2.048 117.868 119.950 -0.056 0.000 3.019 110 F HA -0.231 4.298 4.527 0.002 0.000 0.259 110 F C 0.931 176.785 175.800 0.090 0.000 0.976 110 F CA 2.043 60.055 58.000 0.020 0.000 0.876 110 F CB -1.035 38.019 39.000 0.090 0.000 0.784 110 F HN 0.798 nan 8.300 nan 0.000 0.786 111 Q N -0.332 119.408 119.800 -0.101 0.000 3.712 111 Q HA 0.219 4.560 4.340 0.003 0.000 0.242 111 Q C -2.431 173.342 176.000 -0.377 0.000 0.837 111 Q CA -1.723 53.973 55.803 -0.179 0.000 0.826 111 Q CB 1.207 29.935 28.738 -0.017 0.000 1.529 111 Q HN -0.127 nan 8.270 nan 0.000 0.405 112 P HA -0.091 nan 4.420 nan 0.000 0.262 112 P C -1.111 175.991 177.300 -0.329 0.000 1.151 112 P CA 0.724 63.489 63.100 -0.560 0.000 0.757 112 P CB 0.587 31.859 31.700 -0.713 0.000 0.754 113 A N 2.728 125.392 122.820 -0.261 0.000 2.549 113 A HA 0.650 4.972 4.320 0.003 0.000 0.297 113 A C -1.118 176.453 177.584 -0.022 0.000 1.061 113 A CA -0.371 51.612 52.037 -0.090 0.000 0.690 113 A CB 1.206 20.230 19.000 0.040 0.000 1.287 113 A HN 0.526 nan 8.150 nan 0.000 0.402 114 c N 1.034 119.650 118.600 0.028 0.000 2.563 114 c HA 0.917 5.488 4.570 0.003 0.000 0.314 114 c C -0.502 173.570 174.090 -0.030 0.000 1.199 114 c CA -0.319 55.979 56.329 -0.052 0.000 1.564 114 c CB 1.625 44.043 42.510 -0.153 0.000 2.173 114 c HN 0.982 nan 8.230 nan 0.000 0.485 115 D N -0.968 119.368 120.400 -0.106 0.000 2.626 115 D HA 0.404 5.046 4.640 0.003 0.000 0.278 115 D C -1.258 175.140 176.300 0.163 0.000 1.211 115 D CA -0.405 53.533 54.000 -0.103 0.000 0.903 115 D CB 1.413 41.866 40.800 -0.578 0.000 1.408 115 D HN 0.714 nan 8.370 nan 0.000 0.454 116 H N 0.111 119.196 119.070 0.026 0.000 2.479 116 H HA 0.519 5.077 4.556 0.003 0.000 0.335 116 H C -0.738 174.624 175.328 0.057 0.000 1.142 116 H CA -0.937 55.155 56.048 0.073 0.000 1.234 116 H CB 2.322 32.116 29.762 0.053 0.000 1.503 116 H HN 0.039 nan 8.280 nan 0.000 0.510 117 L N 3.695 124.909 121.223 -0.015 0.000 2.324 117 L HA 0.189 4.530 4.340 0.003 0.000 0.274 117 L C -0.339 176.309 176.870 -0.370 0.000 1.012 117 L CA -0.713 53.888 54.840 -0.398 0.000 0.859 117 L CB 0.639 42.303 42.059 -0.657 0.000 1.224 117 L HN 0.547 nan 8.230 nan 0.000 0.429 118 N N 4.489 123.007 118.700 -0.303 0.000 2.427 118 N HA 0.043 4.784 4.740 0.003 0.000 0.269 118 N C 0.993 176.342 175.510 -0.268 0.000 1.235 118 N CA 0.341 53.269 53.050 -0.204 0.000 0.934 118 N CB 0.642 39.047 38.487 -0.136 0.000 1.121 118 N HN 0.775 nan 8.380 nan 0.000 0.480 119 L N 2.474 123.584 121.223 -0.188 0.000 2.056 119 L HA -0.165 4.177 4.340 0.003 0.000 0.207 119 L C 2.089 178.968 176.870 0.015 0.000 1.078 119 L CA 1.017 55.819 54.840 -0.063 0.000 0.749 119 L CB -0.520 41.537 42.059 -0.004 0.000 0.901 119 L HN 0.508 nan 8.230 nan 0.000 0.433 120 T N -0.687 113.857 114.554 -0.017 0.000 2.597 120 T HA -0.245 4.107 4.350 0.003 0.000 0.267 120 T C 2.004 176.687 174.700 -0.028 0.000 1.053 120 T CA 2.168 64.265 62.100 -0.006 0.000 1.165 120 T CB -0.238 68.626 68.868 -0.006 0.000 0.863 120 T HN 0.515 nan 8.240 nan 0.000 0.427 121 S N -0.105 115.566 115.700 -0.049 0.000 2.501 121 S HA 0.091 4.562 4.470 0.003 0.000 0.220 121 S C 0.891 175.460 174.600 -0.051 0.000 0.997 121 S CA -0.047 58.125 58.200 -0.046 0.000 0.919 121 S CB -0.700 62.470 63.200 -0.050 0.000 0.778 121 S HN 0.388 nan 8.310 nan 0.000 0.523 122 F N 1.303 121.064 119.950 -0.316 0.000 3.027 122 F HA -0.155 4.374 4.527 0.003 0.000 0.276 122 F C -0.033 175.550 175.800 -0.361 0.000 0.967 122 F CA 0.697 58.454 58.000 -0.405 0.000 0.929 122 F CB -1.281 37.360 39.000 -0.598 0.000 0.873 122 F HN 0.302 nan 8.300 nan 0.000 0.787 123 K N 0.372 120.542 120.400 -0.384 0.000 2.469 123 K HA 0.496 4.817 4.320 0.003 0.000 0.254 123 K C -0.319 176.030 176.600 -0.418 0.000 0.939 123 K CA -0.893 55.186 56.287 -0.347 0.000 0.812 123 K CB 1.501 33.916 32.500 -0.141 0.000 1.301 123 K HN -0.025 nan 8.250 nan 0.000 0.433 124 F N 2.514 122.309 119.950 -0.259 0.000 2.459 124 F HA 0.060 4.588 4.527 0.003 0.000 0.346 124 F C 1.565 177.224 175.800 -0.236 0.000 1.128 124 F CA -0.212 57.606 58.000 -0.304 0.000 1.268 124 F CB 0.564 39.293 39.000 -0.452 0.000 1.161 124 F HN 0.320 nan 8.300 nan 0.000 0.583 125 L N 2.759 123.991 121.223 0.016 0.000 2.591 125 L HA 0.148 4.490 4.340 0.003 0.000 0.228 125 L C 1.343 178.151 176.870 -0.103 0.000 1.133 125 L CA 0.307 55.115 54.840 -0.053 0.000 0.880 125 L CB -1.041 40.984 42.059 -0.057 0.000 1.033 125 L HN 1.044 nan 8.230 nan 0.000 0.450 126 G N 1.323 110.033 108.800 -0.151 0.000 2.366 126 G HA2 -0.315 3.647 3.960 0.003 0.000 0.299 126 G HA3 -0.315 3.647 3.960 0.003 0.000 0.299 126 G C 0.906 175.695 174.900 -0.185 0.000 1.020 126 G CA 0.463 45.436 45.100 -0.211 0.000 1.026 126 G HN 0.411 nan 8.290 nan 0.000 0.512 127 K N -0.268 120.010 120.400 -0.205 0.000 2.305 127 K HA -0.003 4.319 4.320 0.003 0.000 0.199 127 K C 1.437 177.957 176.600 -0.133 0.000 1.047 127 K CA 0.326 56.509 56.287 -0.173 0.000 0.976 127 K CB 0.044 32.406 32.500 -0.229 0.000 0.765 127 K HN 0.463 nan 8.250 nan 0.000 0.474 128 N N 2.903 121.510 118.700 -0.156 0.000 2.702 128 N HA -0.191 4.551 4.740 0.003 0.000 0.261 128 N C -1.222 174.267 175.510 -0.035 0.000 0.965 128 N CA 0.577 53.578 53.050 -0.082 0.000 0.795 128 N CB -0.852 37.593 38.487 -0.071 0.000 0.909 128 N HN 0.281 nan 8.380 nan 0.000 0.546 129 E N -0.200 119.990 120.200 -0.017 0.000 2.392 129 E HA 0.053 4.405 4.350 0.003 0.000 0.259 129 E C -0.208 176.393 176.600 0.003 0.000 1.108 129 E CA -0.524 55.882 56.400 0.010 0.000 0.916 129 E CB 0.407 30.147 29.700 0.066 0.000 0.989 129 E HN 0.291 nan 8.360 nan 0.000 0.432 130 D N 0.719 121.117 120.400 -0.003 0.000 2.339 130 D HA 0.081 4.723 4.640 0.003 0.000 0.256 130 D C 0.426 176.705 176.300 -0.034 0.000 1.214 130 D CA -0.098 53.884 54.000 -0.030 0.000 0.877 130 D CB 0.928 41.715 40.800 -0.022 0.000 1.111 130 D HN 0.546 nan 8.370 nan 0.000 0.478 131 G N 3.786 112.530 108.800 -0.093 0.000 3.314 131 G HA2 -0.072 3.890 3.960 0.003 0.000 0.238 131 G HA3 -0.072 3.890 3.960 0.003 0.000 0.238 131 G C 0.710 175.530 174.900 -0.135 0.000 1.184 131 G CA -0.366 44.673 45.100 -0.101 0.000 0.806 131 G HN 0.451 nan 8.290 nan 0.000 0.536 132 K N 0.669 120.988 120.400 -0.134 0.000 2.436 132 K HA 0.357 4.679 4.320 0.003 0.000 0.282 132 K C 1.433 178.053 176.600 0.034 0.000 1.044 132 K CA 0.849 57.071 56.287 -0.109 0.000 1.028 132 K CB -0.022 32.414 32.500 -0.107 0.000 0.919 132 K HN 0.231 nan 8.250 nan 0.000 0.474 133 G N 4.343 113.220 108.800 0.129 0.000 2.284 133 G HA2 -0.333 3.628 3.960 0.003 0.000 0.230 133 G HA3 -0.333 3.628 3.960 0.003 0.000 0.230 133 G C 0.748 175.715 174.900 0.112 0.000 1.021 133 G CA 0.364 45.629 45.100 0.275 0.000 0.619 133 G HN 0.732 nan 8.290 nan 0.000 0.510 134 R N -0.716 119.821 120.500 0.062 0.000 2.308 134 R HA 0.596 4.938 4.340 0.003 0.000 0.202 134 R C 0.839 177.151 176.300 0.020 0.000 0.898 134 R CA 0.545 56.679 56.100 0.057 0.000 1.046 134 R CB 0.329 30.686 30.300 0.094 0.000 1.026 134 R HN 0.774 nan 8.270 nan 0.000 0.512 135 C N 2.040 121.317 119.300 -0.040 0.000 2.891 135 C HA 0.537 4.999 4.460 0.003 0.000 0.342 135 C C -2.726 172.182 174.990 -0.137 0.000 1.126 135 C CA -2.289 56.660 59.018 -0.116 0.000 1.322 135 C CB 2.283 29.902 27.740 -0.202 0.000 1.763 135 C HN 0.225 nan 8.230 nan 0.000 0.491 136 P HA 0.237 nan 4.420 nan 0.000 0.272 136 P C 0.178 177.354 177.300 -0.207 0.000 1.240 136 P CA 0.157 63.246 63.100 -0.019 0.000 0.791 136 P CB 0.591 32.307 31.700 0.028 0.000 0.978 137 F N -1.172 118.586 119.950 -0.320 0.000 2.220 137 F HA 0.069 4.598 4.527 0.002 0.000 0.290 137 F C 1.480 176.573 175.800 -1.179 0.000 1.080 137 F CA 0.718 58.372 58.000 -0.576 0.000 1.318 137 F CB 0.061 38.803 39.000 -0.429 0.000 1.063 137 F HN 0.181 nan 8.300 nan 0.000 0.498 138 D N 1.480 121.315 120.400 -0.940 0.000 2.225 138 D HA 0.119 4.761 4.640 0.003 0.000 0.248 138 D C -1.821 174.007 176.300 -0.787 0.000 1.096 138 D CA -2.220 51.035 54.000 -1.241 0.000 0.863 138 D CB 1.610 41.505 40.800 -1.508 0.000 1.156 138 D HN -0.052 nan 8.370 nan 0.000 0.450 139 P HA -0.003 nan 4.420 nan 0.000 0.234 139 P C 0.475 177.527 177.300 -0.414 0.000 1.167 139 P CA 0.347 63.009 63.100 -0.730 0.000 0.763 139 P CB 0.345 31.160 31.700 -1.476 0.000 0.835 140 A N -1.556 121.080 122.820 -0.306 0.000 2.267 140 A HA 0.076 4.397 4.320 0.003 0.000 0.213 140 A C 0.774 178.431 177.584 0.121 0.000 1.192 140 A CA -0.140 51.850 52.037 -0.078 0.000 0.851 140 A CB -1.004 17.965 19.000 -0.052 0.000 0.881 140 A HN 0.253 nan 8.150 nan 0.000 0.494 141 H N 0.929 120.001 119.070 0.004 0.000 2.582 141 H HA 0.312 4.869 4.556 0.003 0.000 0.345 141 H C 0.746 176.210 175.328 0.226 0.000 1.104 141 H CA -0.034 56.066 56.048 0.086 0.000 1.390 141 H CB 1.029 30.823 29.762 0.052 0.000 1.461 141 H HN 0.406 nan 8.280 nan 0.000 0.551 142 S N 3.096 118.995 115.700 0.331 0.000 2.579 142 S HA 0.195 4.667 4.470 0.003 0.000 0.275 142 S C -0.704 174.167 174.600 0.451 0.000 1.345 142 S CA -0.412 57.966 58.200 0.297 0.000 1.031 142 S CB 0.175 63.503 63.200 0.213 0.000 0.892 142 S HN 0.664 nan 8.310 nan 0.000 0.529 143 Y N -1.920 118.540 120.300 0.268 0.000 2.641 143 Y HA 0.780 5.333 4.550 0.005 0.000 0.333 143 Y C -0.588 175.440 175.900 0.214 0.000 1.174 143 Y CA -0.926 57.293 58.100 0.199 0.000 1.057 143 Y CB 1.167 39.693 38.460 0.109 0.000 1.322 143 Y HN 0.818 nan 8.280 nan 0.000 0.457 144 T N 1.333 116.038 114.554 0.252 0.000 2.830 144 T HA 0.723 5.075 4.350 0.003 0.000 0.322 144 T C -1.697 173.131 174.700 0.214 0.000 1.501 144 T CA 0.005 62.231 62.100 0.209 0.000 1.036 144 T CB 1.258 70.266 68.868 0.234 0.000 1.379 144 T HN 1.684 nan 8.240 nan 0.000 0.493 145 S N 1.036 116.829 115.700 0.156 0.000 2.578 145 S HA 0.781 5.253 4.470 0.003 0.000 0.272 145 S C -1.819 172.813 174.600 0.053 0.000 1.145 145 S CA -0.625 57.667 58.200 0.154 0.000 0.835 145 S CB 1.429 64.745 63.200 0.192 0.000 1.104 145 S HN 1.321 nan 8.310 nan 0.000 0.458 146 V N 2.060 122.020 119.914 0.077 0.000 2.891 146 V HA 0.747 4.869 4.120 0.003 0.000 0.304 146 V C -1.392 174.776 176.094 0.124 0.000 1.171 146 V CA -0.645 61.669 62.300 0.022 0.000 0.943 146 V CB 2.059 33.796 31.823 -0.142 0.000 1.037 146 V HN 1.195 nan 8.190 nan 0.000 0.427 147 M N 7.197 126.858 119.600 0.102 0.000 2.120 147 M HA 0.641 5.122 4.480 0.003 0.000 0.354 147 M C -1.265 175.092 176.300 0.094 0.000 1.287 147 M CA 0.224 55.597 55.300 0.122 0.000 1.103 147 M CB 1.010 33.659 32.600 0.081 0.000 1.623 147 M HN 0.452 nan 8.290 nan 0.000 0.471 148 V N 5.334 125.342 119.914 0.157 0.000 2.443 148 V HA 0.332 4.454 4.120 0.003 0.000 0.293 148 V C -0.663 175.515 176.094 0.140 0.000 1.021 148 V CA -0.844 61.508 62.300 0.087 0.000 0.848 148 V CB 1.421 33.202 31.823 -0.070 0.000 0.998 148 V HN 0.912 nan 8.190 nan 0.000 0.424 149 D N 4.281 124.730 120.400 0.082 0.000 2.704 149 D HA -0.180 4.461 4.640 0.003 0.000 0.232 149 D C 1.410 177.760 176.300 0.083 0.000 1.183 149 D CA 1.830 55.878 54.000 0.081 0.000 0.647 149 D CB -1.090 39.768 40.800 0.097 0.000 1.013 149 D HN 1.444 nan 8.370 nan 0.000 0.415 150 G N -0.856 107.975 108.800 0.051 0.000 2.196 150 G HA2 -0.350 3.612 3.960 0.003 0.000 0.268 150 G HA3 -0.350 3.612 3.960 0.003 0.000 0.268 150 G C 0.019 174.915 174.900 -0.006 0.000 0.975 150 G CA 0.634 45.739 45.100 0.009 0.000 0.648 150 G HN 0.459 nan 8.290 nan 0.000 0.538 151 E N -0.526 119.718 120.200 0.073 0.000 2.171 151 E HA 0.553 4.904 4.350 0.003 0.000 0.271 151 E C -0.419 176.251 176.600 0.117 0.000 0.916 151 E CA -0.999 55.430 56.400 0.047 0.000 0.774 151 E CB 2.137 31.890 29.700 0.088 0.000 1.128 151 E HN 0.205 nan 8.360 nan 0.000 0.403 152 L N 3.630 124.852 121.223 -0.002 0.000 2.281 152 L HA 0.238 4.579 4.340 0.003 0.000 0.285 152 L C -1.205 175.718 176.870 0.089 0.000 1.074 152 L CA -0.207 54.697 54.840 0.108 0.000 0.817 152 L CB 0.049 42.162 42.059 0.090 0.000 1.168 152 L HN 0.380 nan 8.230 nan 0.000 0.434 153 Y N 3.757 124.154 120.300 0.161 0.000 2.335 153 Y HA 0.492 5.043 4.550 0.002 0.000 0.339 153 Y C 0.443 176.529 175.900 0.310 0.000 0.987 153 Y CA -0.076 58.194 58.100 0.283 0.000 1.140 153 Y CB 1.792 40.453 38.460 0.335 0.000 1.173 153 Y HN 0.614 nan 8.280 nan 0.000 0.486 154 S N 2.371 118.261 115.700 0.317 0.000 2.526 154 S HA 0.809 5.280 4.470 0.003 0.000 0.293 154 S C -0.420 174.151 174.600 -0.048 0.000 1.092 154 S CA -0.636 57.675 58.200 0.186 0.000 0.980 154 S CB 1.162 64.418 63.200 0.094 0.000 1.048 154 S HN 0.865 nan 8.310 nan 0.000 0.483 155 G N 1.822 110.530 108.800 -0.155 0.000 2.605 155 G HA2 0.610 4.572 3.960 0.003 0.000 0.304 155 G HA3 0.610 4.572 3.960 0.003 0.000 0.304 155 G C -0.478 173.780 174.900 -1.070 0.000 1.333 155 G CA -0.299 44.232 45.100 -0.948 0.000 0.973 155 G HN 0.828 nan 8.290 nan 0.000 0.507 156 T N 0.301 114.322 114.554 -0.889 0.000 2.676 156 T HA 0.499 4.850 4.350 0.003 0.000 0.299 156 T C -0.684 174.054 174.700 0.064 0.000 1.657 156 T CA -0.299 61.694 62.100 -0.178 0.000 0.985 156 T CB 0.689 69.583 68.868 0.043 0.000 1.926 156 T HN 0.435 nan 8.240 nan 0.000 0.456 157 S N 0.500 116.296 115.700 0.161 0.000 2.554 157 S HA 0.459 4.931 4.470 0.003 0.000 0.278 157 S C -0.429 174.290 174.600 0.198 0.000 1.242 157 S CA -0.361 57.920 58.200 0.135 0.000 1.051 157 S CB 0.989 64.237 63.200 0.080 0.000 0.986 157 S HN 0.595 nan 8.310 nan 0.000 0.502 158 Y N 3.113 123.398 120.300 -0.026 0.000 2.490 158 Y HA 0.158 4.709 4.550 0.002 0.000 0.285 158 Y C 0.599 176.515 175.900 0.027 0.000 1.117 158 Y CA 0.411 58.513 58.100 0.003 0.000 1.262 158 Y CB 0.154 38.541 38.460 -0.122 0.000 1.043 158 Y HN 0.751 nan 8.280 nan 0.000 0.553 159 N N -2.335 116.279 118.700 -0.144 0.000 2.577 159 N HA 0.055 4.797 4.740 0.003 0.000 0.285 159 N C 0.481 175.506 175.510 -0.807 0.000 1.309 159 N CA -0.705 52.015 53.050 -0.549 0.000 0.798 159 N CB -0.452 37.882 38.487 -0.257 0.000 1.463 159 N HN -0.004 nan 8.380 nan 0.000 0.518 160 F N 0.225 119.461 119.950 -1.189 0.000 2.087 160 F HA -0.082 4.447 4.527 0.003 0.000 0.299 160 F C 1.498 177.262 175.800 -0.060 0.000 1.100 160 F CA 1.676 59.285 58.000 -0.650 0.000 1.226 160 F CB 0.007 38.818 39.000 -0.316 0.000 0.983 160 F HN 0.428 nan 8.300 nan 0.000 0.479 161 L N -0.484 120.867 121.223 0.213 0.000 2.492 161 L HA 0.160 4.502 4.340 0.003 0.000 0.223 161 L C 1.661 178.619 176.870 0.147 0.000 1.132 161 L CA 0.629 55.615 54.840 0.244 0.000 0.850 161 L CB -0.819 41.348 42.059 0.179 0.000 0.966 161 L HN 0.416 nan 8.230 nan 0.000 0.454 162 G N -0.002 108.811 108.800 0.021 0.000 2.176 162 G HA2 -0.308 3.654 3.960 0.003 0.000 0.252 162 G HA3 -0.308 3.654 3.960 0.003 0.000 0.252 162 G C 0.891 175.695 174.900 -0.161 0.000 1.024 162 G CA 0.575 45.533 45.100 -0.236 0.000 0.755 162 G HN 0.459 nan 8.290 nan 0.000 0.507 163 S N -1.283 114.383 115.700 -0.056 0.000 2.478 163 S HA 0.232 4.704 4.470 0.003 0.000 0.222 163 S C 0.760 175.345 174.600 -0.026 0.000 1.008 163 S CA 0.856 59.056 58.200 -0.001 0.000 0.928 163 S CB 0.535 63.773 63.200 0.063 0.000 0.781 163 S HN 0.734 nan 8.310 nan 0.000 0.518 164 E N 3.675 123.778 120.200 -0.161 0.000 2.073 164 E HA 0.341 4.693 4.350 0.003 0.000 0.269 164 E C -2.812 173.614 176.600 -0.290 0.000 0.917 164 E CA -2.778 53.314 56.400 -0.514 0.000 0.757 164 E CB 1.336 30.609 29.700 -0.711 0.000 1.111 164 E HN 0.178 nan 8.360 nan 0.000 0.410 165 P HA 0.322 nan 4.420 nan 0.000 0.281 165 P C -0.684 176.547 177.300 -0.115 0.000 1.249 165 P CA -0.453 62.630 63.100 -0.029 0.000 0.810 165 P CB 1.473 33.205 31.700 0.054 0.000 1.008 166 I N 1.300 121.822 120.570 -0.080 0.000 2.743 166 I HA 0.410 4.581 4.170 0.003 0.000 0.292 166 I C -1.638 174.308 176.117 -0.286 0.000 1.343 166 I CA -1.146 60.035 61.300 -0.198 0.000 1.038 166 I CB 1.755 39.605 38.000 -0.250 0.000 1.311 166 I HN 0.174 nan 8.210 nan 0.000 0.426 167 I N 6.744 127.154 120.570 -0.265 0.000 2.410 167 I HA 0.472 4.643 4.170 0.003 0.000 0.286 167 I C -0.461 175.656 176.117 -0.000 0.000 1.009 167 I CA -0.065 61.009 61.300 -0.377 0.000 1.111 167 I CB 1.901 39.521 38.000 -0.633 0.000 1.262 167 I HN 0.664 nan 8.210 nan 0.000 0.443 168 S N 5.890 121.606 115.700 0.028 0.000 2.638 168 S HA 0.643 5.115 4.470 0.003 0.000 0.274 168 S C -0.836 173.813 174.600 0.081 0.000 1.157 168 S CA -1.021 57.260 58.200 0.135 0.000 0.826 168 S CB 2.401 65.552 63.200 -0.081 0.000 1.139 168 S HN 0.655 nan 8.310 nan 0.000 0.474 169 R N 1.225 121.656 120.500 -0.114 0.000 2.407 169 R HA 0.340 4.682 4.340 0.003 0.000 0.298 169 R C -1.307 174.799 176.300 -0.323 0.000 1.166 169 R CA -0.375 55.499 56.100 -0.376 0.000 1.006 169 R CB 0.491 30.422 30.300 -0.615 0.000 1.145 169 R HN 0.705 nan 8.270 nan 0.000 0.538 170 N N 2.808 121.379 118.700 -0.216 0.000 3.034 170 N HA 0.042 4.783 4.740 0.003 0.000 0.265 170 N C -0.915 174.490 175.510 -0.175 0.000 1.166 170 N CA 0.016 52.961 53.050 -0.174 0.000 1.081 170 N CB 0.728 39.165 38.487 -0.084 0.000 1.378 170 N HN 0.610 nan 8.380 nan 0.000 0.520 171 S N 0.229 115.781 115.700 -0.247 0.000 2.669 171 S HA 0.271 4.743 4.470 0.003 0.000 0.270 171 S C 1.409 175.897 174.600 -0.186 0.000 1.225 171 S CA -0.695 57.354 58.200 -0.252 0.000 0.991 171 S CB 1.148 64.071 63.200 -0.462 0.000 0.987 171 S HN 0.335 nan 8.310 nan 0.000 0.552 172 S N 1.070 116.725 115.700 -0.075 0.000 2.387 172 S HA -0.110 4.362 4.470 0.003 0.000 0.226 172 S C 1.730 176.357 174.600 0.045 0.000 1.026 172 S CA 1.130 59.343 58.200 0.022 0.000 0.972 172 S CB -0.639 62.622 63.200 0.101 0.000 0.814 172 S HN 0.920 nan 8.310 nan 0.000 0.477 173 H N 0.051 119.095 119.070 -0.042 0.000 2.406 173 H HA 0.340 4.898 4.556 0.003 0.000 0.304 173 H C 0.233 175.529 175.328 -0.054 0.000 1.042 173 H CA 0.539 56.564 56.048 -0.039 0.000 1.360 173 H CB -0.254 29.494 29.762 -0.023 0.000 1.448 173 H HN 0.193 nan 8.280 nan 0.000 0.553 174 S N 3.780 119.227 115.700 -0.421 0.000 2.060 174 S HA 0.272 4.743 4.470 0.003 0.000 0.156 174 S C -2.743 171.654 174.600 -0.339 0.000 1.690 174 S CA -1.068 56.970 58.200 -0.271 0.000 1.238 174 S CB 1.189 64.290 63.200 -0.165 0.000 1.150 174 S HN 0.239 nan 8.310 nan 0.000 0.437 175 P HA 0.292 nan 4.420 nan 0.000 0.276 175 P C -0.858 176.197 177.300 -0.409 0.000 1.243 175 P CA -0.242 62.662 63.100 -0.327 0.000 0.768 175 P CB 0.826 32.388 31.700 -0.230 0.000 0.856 176 L N 4.118 124.973 121.223 -0.612 0.000 2.354 176 L HA 0.687 5.029 4.340 0.003 0.000 0.264 176 L C 0.746 177.074 176.870 -0.904 0.000 1.008 176 L CA -0.956 53.352 54.840 -0.886 0.000 0.819 176 L CB 2.453 43.638 42.059 -1.456 0.000 1.339 176 L HN 0.464 nan 8.230 nan 0.000 0.420 177 R N -0.973 119.060 120.500 -0.779 0.000 2.795 177 R HA 0.705 5.047 4.340 0.003 0.000 0.268 177 R C -1.024 175.112 176.300 -0.274 0.000 1.041 177 R CA -0.817 55.025 56.100 -0.431 0.000 0.927 177 R CB 1.351 31.435 30.300 -0.360 0.000 1.235 177 R HN 0.549 nan 8.270 nan 0.000 0.463 178 T N -1.472 113.047 114.554 -0.059 0.000 2.849 178 T HA 0.208 4.560 4.350 0.003 0.000 0.284 178 T C 0.090 174.469 174.700 -0.535 0.000 1.004 178 T CA -0.773 61.261 62.100 -0.111 0.000 1.021 178 T CB 1.195 69.994 68.868 -0.115 0.000 1.013 178 T HN 0.658 nan 8.240 nan 0.000 0.527 179 E N 0.235 119.728 120.200 -1.177 0.000 2.383 179 E HA 0.085 4.437 4.350 0.003 0.000 0.264 179 E C -1.156 175.148 176.600 -0.493 0.000 1.050 179 E CA -0.549 55.230 56.400 -1.035 0.000 0.896 179 E CB 0.312 28.932 29.700 -1.800 0.000 0.982 179 E HN 0.600 nan 8.360 nan 0.000 0.424 180 Y N 3.986 124.028 120.300 -0.429 0.000 2.714 180 Y HA 0.532 5.083 4.550 0.002 0.000 0.333 180 Y C -1.260 174.518 175.900 -0.203 0.000 1.220 180 Y CA -1.190 56.755 58.100 -0.257 0.000 1.513 180 Y CB -0.523 37.816 38.460 -0.201 0.000 1.435 180 Y HN 0.483 nan 8.280 nan 0.000 0.489 181 A N 5.329 128.139 122.820 -0.016 0.000 2.517 181 A HA 0.452 4.773 4.320 0.003 0.000 0.297 181 A C 0.334 177.987 177.584 0.115 0.000 1.050 181 A CA -0.638 51.373 52.037 -0.042 0.000 0.694 181 A CB 0.607 19.545 19.000 -0.104 0.000 1.277 181 A HN 0.307 nan 8.150 nan 0.000 0.400 182 I N 1.560 122.189 120.570 0.098 0.000 2.145 182 I HA -0.164 4.007 4.170 0.003 0.000 0.244 182 I C -0.564 175.661 176.117 0.181 0.000 1.075 182 I CA 1.841 63.222 61.300 0.135 0.000 1.332 182 I CB -2.030 36.039 38.000 0.116 0.000 1.033 182 I HN 0.460 nan 8.210 nan 0.000 0.410 183 P HA -0.151 nan 4.420 nan 0.000 0.222 183 P C 1.333 178.803 177.300 0.284 0.000 1.147 183 P CA 1.334 64.590 63.100 0.261 0.000 0.790 183 P CB -0.082 31.912 31.700 0.490 0.000 0.780 184 W N -0.673 120.680 121.300 0.088 0.000 2.560 184 W HA 0.251 4.912 4.660 0.002 0.000 0.303 184 W C 0.673 177.271 176.519 0.132 0.000 1.151 184 W CA 0.677 58.095 57.345 0.121 0.000 1.426 184 W CB -0.358 29.063 29.460 -0.066 0.000 1.135 184 W HN -0.279 nan 8.180 nan 0.000 0.522 185 L N 1.310 122.715 121.223 0.303 0.000 2.438 185 L HA 0.300 4.642 4.340 0.003 0.000 0.270 185 L C -0.746 176.209 176.870 0.142 0.000 0.972 185 L CA -0.660 54.287 54.840 0.178 0.000 0.831 185 L CB 1.600 43.694 42.059 0.058 0.000 1.273 185 L HN -0.245 nan 8.230 nan 0.000 0.405 186 N N 3.501 122.274 118.700 0.123 0.000 2.898 186 N HA 0.205 4.947 4.740 0.003 0.000 0.245 186 N C -0.690 174.862 175.510 0.070 0.000 1.185 186 N CA -0.267 52.839 53.050 0.094 0.000 0.879 186 N CB 0.333 38.864 38.487 0.074 0.000 1.157 186 N HN 0.597 nan 8.380 nan 0.000 0.503 187 E N 0.072 120.303 120.200 0.051 0.000 2.271 187 E HA -0.161 4.190 4.350 0.003 0.000 0.223 187 E C -2.289 174.297 176.600 -0.023 0.000 1.223 187 E CA 0.116 56.527 56.400 0.018 0.000 0.704 187 E CB -1.062 28.659 29.700 0.036 0.000 1.194 187 E HN 0.538 nan 8.360 nan 0.000 0.375 188 P HA 0.110 nan 4.420 nan 0.000 0.276 188 P C -0.518 176.560 177.300 -0.370 0.000 1.244 188 P CA -0.267 62.680 63.100 -0.254 0.000 0.801 188 P CB 1.659 32.959 31.700 -0.666 0.000 1.006 189 S N 1.513 117.049 115.700 -0.273 0.000 2.669 189 S HA 0.511 4.983 4.470 0.003 0.000 0.315 189 S C -0.753 173.758 174.600 -0.150 0.000 1.106 189 S CA -0.628 57.480 58.200 -0.153 0.000 1.107 189 S CB -0.649 62.550 63.200 -0.001 0.000 0.990 189 S HN 0.145 nan 8.310 nan 0.000 0.471 190 F N 3.549 123.599 119.950 0.167 0.000 2.484 190 F HA 0.262 4.793 4.527 0.007 0.000 0.360 190 F C 1.287 177.196 175.800 0.181 0.000 1.101 190 F CA -0.139 57.995 58.000 0.223 0.000 1.251 190 F CB 0.909 40.014 39.000 0.175 0.000 1.132 190 F HN 0.340 nan 8.300 nan 0.000 0.570 191 V N 1.952 122.126 119.914 0.433 0.000 2.996 191 V HA 0.238 4.359 4.120 0.003 0.000 0.235 191 V C -0.617 175.713 176.094 0.394 0.000 1.205 191 V CA 0.121 62.606 62.300 0.309 0.000 1.225 191 V CB 0.389 32.359 31.823 0.245 0.000 0.995 191 V HN 0.611 nan 8.190 nan 0.000 0.484 192 F N -0.411 119.707 119.950 0.281 0.000 2.678 192 F HA 0.773 5.302 4.527 0.003 0.000 0.308 192 F C -1.107 174.837 175.800 0.240 0.000 1.118 192 F CA -0.469 57.645 58.000 0.190 0.000 0.959 192 F CB 1.556 40.567 39.000 0.018 0.000 1.305 192 F HN -0.010 nan 8.300 nan 0.000 0.443 193 A N 3.443 125.760 122.820 -0.838 0.000 2.488 193 A HA 0.691 5.013 4.320 0.003 0.000 0.298 193 A C -2.076 174.908 177.584 -1.000 0.000 1.044 193 A CA -0.366 51.149 52.037 -0.870 0.000 0.693 193 A CB 1.721 20.159 19.000 -0.938 0.000 1.272 193 A HN 0.719 nan 8.150 nan 0.000 0.402 194 D N 0.284 120.345 120.400 -0.565 0.000 2.663 194 D HA 0.492 5.134 4.640 0.003 0.000 0.233 194 D C -1.005 175.248 176.300 -0.078 0.000 1.240 194 D CA -0.086 53.743 54.000 -0.284 0.000 0.774 194 D CB 2.239 42.996 40.800 -0.072 0.000 1.443 194 D HN 0.512 nan 8.370 nan 0.000 0.441 195 V N 1.442 121.320 119.914 -0.061 0.000 2.644 195 V HA 0.545 4.667 4.120 0.003 0.000 0.295 195 V C 0.136 176.280 176.094 0.084 0.000 1.053 195 V CA -0.687 61.602 62.300 -0.018 0.000 0.987 195 V CB 1.400 33.181 31.823 -0.071 0.000 1.006 195 V HN 0.423 nan 8.190 nan 0.000 0.472 196 I N 3.824 124.478 120.570 0.141 0.000 2.437 196 I HA 0.408 4.580 4.170 0.003 0.000 0.279 196 I C 0.131 176.301 176.117 0.089 0.000 1.028 196 I CA -0.579 60.800 61.300 0.132 0.000 1.142 196 I CB 1.386 39.521 38.000 0.224 0.000 1.266 196 I HN 0.632 nan 8.210 nan 0.000 0.461 197 R N 4.536 125.063 120.500 0.046 0.000 2.537 197 R HA 0.307 4.649 4.340 0.003 0.000 0.280 197 R C -0.154 176.171 176.300 0.041 0.000 1.058 197 R CA -0.232 55.889 56.100 0.035 0.000 1.057 197 R CB 0.820 31.134 30.300 0.022 0.000 0.973 197 R HN 0.447 nan 8.270 nan 0.000 0.438 198 K N 0.050 120.476 120.400 0.042 0.000 2.350 198 K HA 0.340 4.661 4.320 0.003 0.000 0.241 198 K C 0.266 176.888 176.600 0.036 0.000 0.994 198 K CA -0.494 55.819 56.287 0.044 0.000 0.839 198 K CB 1.858 34.390 32.500 0.054 0.000 1.244 198 K HN 0.402 nan 8.250 nan 0.000 0.443 199 S N 1.765 117.486 115.700 0.035 0.000 2.688 199 S HA 0.090 4.561 4.470 0.003 0.000 0.248 199 S C -2.163 172.457 174.600 0.032 0.000 1.361 199 S CA -0.471 57.747 58.200 0.031 0.000 0.979 199 S CB -0.406 62.812 63.200 0.030 0.000 0.947 199 S HN 0.578 nan 8.310 nan 0.000 0.545 206 E N 0.751 120.975 120.200 0.041 0.000 2.238 206 E HA 0.320 4.671 4.350 0.003 0.000 0.267 206 E C -1.120 175.506 176.600 0.043 0.000 0.887 206 E CA -0.799 55.627 56.400 0.043 0.000 0.769 206 E CB 2.630 32.356 29.700 0.043 0.000 1.187 206 E HN 0.446 nan 8.360 nan 0.000 0.416 207 D N 1.458 121.884 120.400 0.043 0.000 2.339 207 D HA 0.063 4.705 4.640 0.003 0.000 0.245 207 D C -0.690 175.632 176.300 0.037 0.000 1.115 207 D CA -0.018 54.008 54.000 0.043 0.000 0.917 207 D CB 0.831 41.659 40.800 0.046 0.000 1.192 207 D HN 0.210 nan 8.370 nan 0.000 0.428 208 D N 1.354 121.774 120.400 0.033 0.000 2.339 208 D HA 0.222 4.863 4.640 0.003 0.000 0.245 208 D C 0.258 176.555 176.300 -0.004 0.000 1.115 208 D CA 0.044 54.059 54.000 0.024 0.000 0.917 208 D CB 0.714 41.521 40.800 0.011 0.000 1.192 208 D HN 0.230 nan 8.370 nan 0.000 0.428 209 R N 0.504 121.004 120.500 -0.000 0.000 2.711 209 R HA 0.565 4.906 4.340 0.003 0.000 0.284 209 R C -0.913 175.313 176.300 -0.123 0.000 0.968 209 R CA -1.007 55.025 56.100 -0.112 0.000 0.924 209 R CB 1.326 31.513 30.300 -0.188 0.000 1.162 209 R HN 0.122 nan 8.270 nan 0.000 0.465 210 V N 3.427 123.181 119.914 -0.267 0.000 2.357 210 V HA 0.317 4.438 4.120 0.003 0.000 0.284 210 V C -0.739 175.191 176.094 -0.274 0.000 1.018 210 V CA -0.784 61.358 62.300 -0.263 0.000 0.841 210 V CB 0.615 32.179 31.823 -0.431 0.000 0.991 210 V HN 0.546 nan 8.190 nan 0.000 0.437 211 Y N 4.152 124.325 120.300 -0.212 0.000 2.310 211 Y HA 0.621 5.172 4.550 0.002 0.000 0.326 211 Y C -0.177 175.498 175.900 -0.375 0.000 1.151 211 Y CA -0.159 57.809 58.100 -0.220 0.000 1.195 211 Y CB 1.416 39.812 38.460 -0.106 0.000 1.210 211 Y HN 0.505 nan 8.280 nan 0.000 0.483 212 F N 2.413 122.303 119.950 -0.101 0.000 2.551 212 F HA 0.545 5.073 4.527 0.001 0.000 0.316 212 F C -1.177 174.589 175.800 -0.057 0.000 1.089 212 F CA -1.054 57.010 58.000 0.106 0.000 0.915 212 F CB 1.332 40.475 39.000 0.239 0.000 1.186 212 F HN 0.228 nan 8.300 nan 0.000 0.456 213 F N 4.045 124.295 119.950 0.500 0.000 2.518 213 F HA 0.684 5.211 4.527 0.000 0.000 0.323 213 F C -0.642 175.440 175.800 0.470 0.000 1.129 213 F CA -1.035 57.147 58.000 0.303 0.000 0.920 213 F CB 1.558 40.657 39.000 0.165 0.000 1.160 213 F HN 0.323 nan 8.300 nan 0.000 0.440 214 F N -1.165 118.936 119.950 0.251 0.000 2.773 214 F HA 0.761 5.291 4.527 0.004 0.000 0.314 214 F C -1.204 174.619 175.800 0.039 0.000 1.160 214 F CA -1.118 56.935 58.000 0.087 0.000 0.920 214 F CB 1.286 40.208 39.000 -0.131 0.000 1.323 214 F HN 0.156 nan 8.300 nan 0.000 0.457 215 T N 0.922 115.565 114.554 0.149 0.000 2.855 215 T HA 0.597 4.948 4.350 0.003 0.000 0.281 215 T C -0.937 173.846 174.700 0.139 0.000 1.007 215 T CA -0.603 61.549 62.100 0.087 0.000 1.009 215 T CB 1.636 70.565 68.868 0.102 0.000 0.983 215 T HN 0.836 nan 8.240 nan 0.000 0.455 216 E N 0.345 120.616 120.200 0.118 0.000 2.458 216 E HA 0.624 4.976 4.350 0.003 0.000 0.278 216 E C -1.468 175.190 176.600 0.096 0.000 1.004 216 E CA -1.089 55.388 56.400 0.128 0.000 0.823 216 E CB 0.939 30.768 29.700 0.215 0.000 1.396 216 E HN 0.229 nan 8.360 nan 0.000 0.463 217 V N 1.799 121.764 119.914 0.086 0.000 2.470 217 V HA 0.141 4.263 4.120 0.003 0.000 0.276 217 V C 0.357 176.489 176.094 0.063 0.000 1.040 217 V CA -0.148 62.205 62.300 0.088 0.000 1.008 217 V CB 0.986 32.859 31.823 0.083 0.000 0.990 217 V HN 0.683 nan 8.190 nan 0.000 0.477 218 S N 3.912 119.659 115.700 0.079 0.000 2.564 218 S HA 0.181 4.653 4.470 0.003 0.000 0.278 218 S C 0.913 175.503 174.600 -0.017 0.000 1.333 218 S CA -0.120 58.088 58.200 0.014 0.000 1.048 218 S CB 1.312 64.574 63.200 0.103 0.000 0.900 218 S HN 0.828 nan 8.310 nan 0.000 0.505 219 V N 2.538 122.356 119.914 -0.161 0.000 3.565 219 V HA 0.260 4.381 4.120 0.003 0.000 0.260 219 V C 1.831 177.870 176.094 -0.091 0.000 1.231 219 V CA 0.861 63.072 62.300 -0.148 0.000 1.100 219 V CB -0.415 31.155 31.823 -0.423 0.000 0.807 219 V HN 0.912 nan 8.190 nan 0.000 0.454 220 E N -0.353 119.705 120.200 -0.236 0.000 2.447 220 E HA -0.005 4.347 4.350 0.003 0.000 0.195 220 E C -0.219 176.312 176.600 -0.115 0.000 1.028 220 E CA 0.047 56.346 56.400 -0.168 0.000 0.876 220 E CB -0.081 29.408 29.700 -0.352 0.000 0.885 220 E HN 0.626 nan 8.360 nan 0.000 0.500 221 Y N 0.911 121.243 120.300 0.053 0.000 2.387 221 Y HA 0.535 5.094 4.550 0.015 0.000 0.336 221 Y C 0.021 175.970 175.900 0.081 0.000 1.067 221 Y CA -1.603 56.524 58.100 0.045 0.000 1.114 221 Y CB 1.588 40.063 38.460 0.026 0.000 1.208 221 Y HN -0.130 nan 8.280 nan 0.000 0.458 222 E N 3.215 123.567 120.200 0.254 0.000 2.224 222 E HA 0.492 4.844 4.350 0.003 0.000 0.265 222 E C -1.659 175.070 176.600 0.215 0.000 0.878 222 E CA -0.430 56.093 56.400 0.205 0.000 0.759 222 E CB 1.112 30.906 29.700 0.157 0.000 1.164 222 E HN 0.604 nan 8.360 nan 0.000 0.414 223 F N 2.675 122.645 119.950 0.034 0.000 2.869 223 F HA 0.213 4.724 4.527 -0.026 0.000 0.325 223 F C 1.142 176.877 175.800 -0.109 0.000 1.184 223 F CA -1.001 56.962 58.000 -0.063 0.000 0.951 223 F CB 1.098 40.033 39.000 -0.109 0.000 1.421 223 F HN 0.155 nan 8.300 nan 0.000 0.501 224 V N 1.443 121.160 119.914 -0.328 0.000 2.317 224 V HA -0.285 3.837 4.120 0.003 0.000 0.251 224 V C 0.196 176.126 176.094 -0.273 0.000 1.065 224 V CA 2.270 64.284 62.300 -0.477 0.000 1.049 224 V CB -0.868 30.401 31.823 -0.924 0.000 0.651 224 V HN 0.476 nan 8.190 nan 0.000 0.450 225 F N -1.686 118.191 119.950 -0.121 0.000 2.706 225 F HA 0.690 5.200 4.527 -0.029 0.000 0.328 225 F C 0.097 175.925 175.800 0.046 0.000 1.123 225 F CA -2.257 55.726 58.000 -0.028 0.000 0.978 225 F CB 0.685 39.652 39.000 -0.056 0.000 1.404 225 F HN -0.097 nan 8.300 nan 0.000 0.497 226 R N 1.208 121.941 120.500 0.388 0.000 2.502 226 R HA 0.422 4.763 4.340 0.003 0.000 0.292 226 R C -0.736 175.760 176.300 0.327 0.000 0.998 226 R CA -0.355 55.913 56.100 0.279 0.000 1.056 226 R CB 0.488 30.890 30.300 0.172 0.000 0.939 226 R HN 0.774 nan 8.270 nan 0.000 0.411 227 V N 4.245 124.339 119.914 0.299 0.000 2.427 227 V HA 0.468 4.590 4.120 0.003 0.000 0.286 227 V C -0.183 176.047 176.094 0.228 0.000 1.034 227 V CA -0.975 61.504 62.300 0.298 0.000 0.893 227 V CB 1.059 33.080 31.823 0.330 0.000 0.982 227 V HN 0.750 nan 8.190 nan 0.000 0.452 228 L N 5.481 126.824 121.223 0.200 0.000 2.421 228 L HA 0.644 4.986 4.340 0.003 0.000 0.263 228 L C -0.356 176.620 176.870 0.177 0.000 1.122 228 L CA -0.514 54.423 54.840 0.162 0.000 0.804 228 L CB 1.598 43.741 42.059 0.141 0.000 1.150 228 L HN 0.706 nan 8.230 nan 0.000 0.457 229 I N 2.604 123.261 120.570 0.144 0.000 2.680 229 I HA 0.431 4.602 4.170 0.003 0.000 0.291 229 I C -2.661 173.504 176.117 0.079 0.000 1.244 229 I CA -1.995 59.390 61.300 0.142 0.000 1.042 229 I CB 2.646 40.734 38.000 0.148 0.000 1.277 229 I HN 0.223 nan 8.210 nan 0.000 0.423 230 P HA 0.464 nan 4.420 nan 0.000 0.277 230 P C -1.369 175.869 177.300 -0.104 0.000 1.240 230 P CA -0.530 62.606 63.100 0.060 0.000 0.798 230 P CB 0.638 32.508 31.700 0.284 0.000 0.979 231 R N 1.800 122.094 120.500 -0.343 0.000 2.744 231 R HA 0.628 4.970 4.340 0.003 0.000 0.279 231 R C -0.738 175.250 176.300 -0.520 0.000 0.977 231 R CA -0.921 54.871 56.100 -0.514 0.000 0.906 231 R CB 2.299 32.044 30.300 -0.926 0.000 1.197 231 R HN 0.549 nan 8.270 nan 0.000 0.463 232 I N 0.571 120.898 120.570 -0.405 0.000 2.433 232 I HA 0.705 4.877 4.170 0.003 0.000 0.292 232 I C -1.084 174.859 176.117 -0.290 0.000 1.001 232 I CA -0.387 60.586 61.300 -0.547 0.000 1.119 232 I CB 1.631 39.393 38.000 -0.397 0.000 1.289 232 I HN 0.780 nan 8.210 nan 0.000 0.438 233 A N 7.434 130.052 122.820 -0.337 0.000 2.566 233 A HA 0.964 5.285 4.320 0.003 0.000 0.292 233 A C -1.303 175.972 177.584 -0.515 0.000 1.112 233 A CA -0.737 51.077 52.037 -0.371 0.000 0.707 233 A CB 1.885 20.767 19.000 -0.197 0.000 1.302 233 A HN 0.772 nan 8.150 nan 0.000 0.409 234 R N -0.458 119.542 120.500 -0.834 0.000 2.692 234 R HA 0.722 5.064 4.340 0.003 0.000 0.269 234 R C -1.768 174.124 176.300 -0.681 0.000 1.030 234 R CA 0.055 55.647 56.100 -0.846 0.000 0.882 234 R CB 0.591 29.954 30.300 -1.560 0.000 1.250 234 R HN 1.673 nan 8.270 nan 0.000 0.465 235 V N -1.999 117.605 119.914 -0.518 0.000 3.141 235 V HA 0.727 4.849 4.120 0.003 0.000 0.312 235 V C -0.255 175.678 176.094 -0.269 0.000 1.157 235 V CA -0.996 61.052 62.300 -0.420 0.000 1.041 235 V CB 1.832 33.191 31.823 -0.773 0.000 1.071 235 V HN 0.848 nan 8.190 nan 0.000 0.441 236 c N 1.948 120.500 118.600 -0.080 0.000 2.388 236 c HA 0.433 5.005 4.570 0.003 0.000 0.362 236 c C 1.847 176.017 174.090 0.132 0.000 1.266 236 c CA -0.206 56.124 56.329 0.002 0.000 2.028 236 c CB 0.579 43.114 42.510 0.042 0.000 2.440 236 c HN 1.147 nan 8.230 nan 0.000 0.547 237 K N 1.929 122.382 120.400 0.089 0.000 2.152 237 K HA -0.118 4.204 4.320 0.003 0.000 0.206 237 K C 1.768 178.514 176.600 0.243 0.000 1.048 237 K CA 1.818 58.211 56.287 0.177 0.000 0.933 237 K CB -0.235 32.305 32.500 0.067 0.000 0.721 237 K HN 0.952 nan 8.250 nan 0.000 0.447 238 G N 0.745 109.649 108.800 0.175 0.000 2.920 238 G HA2 -0.117 3.845 3.960 0.003 0.000 0.208 238 G HA3 -0.117 3.845 3.960 0.003 0.000 0.208 238 G C 0.036 175.038 174.900 0.170 0.000 1.159 238 G CA -0.289 44.906 45.100 0.159 0.000 0.784 238 G HN 0.282 nan 8.290 nan 0.000 0.535 239 D N 0.101 120.638 120.400 0.229 0.000 2.525 239 D HA 0.040 4.681 4.640 0.003 0.000 0.235 239 D C 0.920 177.297 176.300 0.128 0.000 1.137 239 D CA 0.627 54.763 54.000 0.226 0.000 0.868 239 D CB 0.718 41.774 40.800 0.427 0.000 1.180 239 D HN 0.266 nan 8.370 nan 0.000 0.465 240 Q N 0.831 120.674 119.800 0.072 0.000 2.140 240 Q HA 0.326 4.668 4.340 0.003 0.000 0.227 240 Q C 0.653 176.634 176.000 -0.030 0.000 0.798 240 Q CA -0.014 55.795 55.803 0.009 0.000 0.987 240 Q CB 1.103 29.865 28.738 0.040 0.000 1.161 240 Q HN 0.760 nan 8.270 nan 0.000 0.480 241 G N 0.178 108.972 108.800 -0.009 0.000 2.796 241 G HA2 -0.121 3.841 3.960 0.003 0.000 0.571 241 G HA3 -0.121 3.841 3.960 0.003 0.000 0.571 241 G C -0.087 174.822 174.900 0.014 0.000 1.370 241 G CA -0.707 44.381 45.100 -0.021 0.000 0.856 241 G HN 0.310 nan 8.290 nan 0.000 0.538 242 G N -1.644 107.165 108.800 0.014 0.000 2.462 242 G HA2 0.681 4.643 3.960 0.003 0.000 0.319 242 G HA3 0.681 4.643 3.960 0.003 0.000 0.319 242 G C 0.984 175.888 174.900 0.007 0.000 1.171 242 G CA 0.302 45.415 45.100 0.021 0.000 0.920 242 G HN 1.386 nan 8.290 nan 0.000 0.499 243 L N 0.020 121.251 121.223 0.014 0.000 2.084 243 L HA 0.326 4.668 4.340 0.003 0.000 0.202 243 L C 2.434 179.307 176.870 0.005 0.000 1.074 243 L CA 1.581 56.427 54.840 0.011 0.000 0.757 243 L CB -0.252 41.820 42.059 0.021 0.000 0.918 243 L HN 0.535 nan 8.230 nan 0.000 0.444 244 R N -1.783 118.724 120.500 0.011 0.000 2.437 244 R HA 0.290 4.631 4.340 0.003 0.000 0.257 244 R C -0.594 175.710 176.300 0.007 0.000 0.927 244 R CA 0.182 56.286 56.100 0.007 0.000 1.078 244 R CB 0.590 30.898 30.300 0.013 0.000 1.161 244 R HN 0.259 nan 8.270 nan 0.000 0.529 245 T N -0.222 114.339 114.554 0.013 0.000 2.916 245 T HA 0.300 4.652 4.350 0.003 0.000 0.305 245 T C -0.198 174.516 174.700 0.022 0.000 1.119 245 T CA -0.706 61.406 62.100 0.020 0.000 1.008 245 T CB 1.998 70.889 68.868 0.038 0.000 1.129 245 T HN 0.078 nan 8.240 nan 0.000 0.480 246 L N 0.559 121.792 121.223 0.018 0.000 3.678 246 L HA -0.203 4.139 4.340 0.003 0.000 0.425 246 L C 0.053 176.908 176.870 -0.025 0.000 1.240 246 L CA 0.106 54.955 54.840 0.016 0.000 0.876 246 L CB -1.309 40.813 42.059 0.104 0.000 1.766 246 L HN 0.716 nan 8.230 nan 0.000 0.917 247 Q N 0.735 120.507 119.800 -0.046 0.000 2.255 247 Q HA 0.133 4.475 4.340 0.003 0.000 0.280 247 Q C 0.895 176.830 176.000 -0.107 0.000 1.068 247 Q CA 0.478 56.243 55.803 -0.062 0.000 0.911 247 Q CB 0.298 29.003 28.738 -0.056 0.000 1.157 247 Q HN 0.132 nan 8.270 nan 0.000 0.380 248 K N 0.261 120.584 120.400 -0.129 0.000 3.341 248 K HA -0.191 4.131 4.320 0.003 0.000 0.305 248 K C -0.555 175.876 176.600 -0.281 0.000 1.270 248 K CA 0.811 56.978 56.287 -0.200 0.000 0.897 248 K CB -0.756 31.636 32.500 -0.180 0.000 1.264 248 K HN 0.401 nan 8.250 nan 0.000 0.468 249 K N -0.026 120.239 120.400 -0.225 0.000 2.328 249 K HA 0.315 4.637 4.320 0.003 0.000 0.246 249 K C -0.094 176.452 176.600 -0.089 0.000 0.955 249 K CA -0.666 55.481 56.287 -0.233 0.000 0.817 249 K CB 0.697 33.102 32.500 -0.159 0.000 1.208 249 K HN 0.012 nan 8.250 nan 0.000 0.432 250 W N 0.817 122.204 121.300 0.146 0.000 2.209 250 W HA -0.053 4.609 4.660 0.004 0.000 0.344 250 W C 1.537 178.210 176.519 0.256 0.000 1.285 250 W CA 0.350 57.819 57.345 0.207 0.000 1.267 250 W CB 0.286 29.913 29.460 0.277 0.000 1.167 250 W HN 0.666 nan 8.180 nan 0.000 0.574 251 T N -3.291 111.513 114.554 0.418 0.000 3.043 251 T HA 0.060 4.412 4.350 0.003 0.000 0.272 251 T C 0.793 175.621 174.700 0.212 0.000 0.990 251 T CA 0.214 62.479 62.100 0.274 0.000 0.897 251 T CB -0.197 68.771 68.868 0.168 0.000 1.111 251 T HN 0.365 nan 8.240 nan 0.000 0.529 252 S N 0.263 116.109 115.700 0.244 0.000 2.749 252 S HA 0.405 4.877 4.470 0.003 0.000 0.246 252 S C -0.260 174.324 174.600 -0.026 0.000 1.023 252 S CA -0.860 57.394 58.200 0.091 0.000 1.012 252 S CB -0.725 62.520 63.200 0.075 0.000 0.942 252 S HN 0.410 nan 8.310 nan 0.000 0.531 253 F N 2.782 122.638 119.950 -0.156 0.000 2.444 253 F HA 0.673 5.201 4.527 0.002 0.000 0.360 253 F C -0.646 174.917 175.800 -0.394 0.000 1.106 253 F CA -0.710 57.071 58.000 -0.364 0.000 1.170 253 F CB 0.324 39.070 39.000 -0.423 0.000 1.113 253 F HN 0.110 nan 8.300 nan 0.000 0.521 254 L N 6.493 127.117 121.223 -0.998 0.000 2.393 254 L HA 0.556 4.898 4.340 0.003 0.000 0.260 254 L C -1.182 175.158 176.870 -0.884 0.000 1.002 254 L CA -1.082 53.311 54.840 -0.746 0.000 0.818 254 L CB 2.599 44.415 42.059 -0.405 0.000 1.369 254 L HN 0.603 nan 8.230 nan 0.000 0.412 255 K N 1.343 121.498 120.400 -0.410 0.000 2.509 255 K HA 0.989 5.311 4.320 0.003 0.000 0.266 255 K C -1.664 174.953 176.600 0.028 0.000 0.987 255 K CA -0.836 55.324 56.287 -0.212 0.000 0.868 255 K CB 2.872 35.197 32.500 -0.292 0.000 1.421 255 K HN 0.605 nan 8.250 nan 0.000 0.444 256 A N 1.410 124.219 122.820 -0.018 0.000 2.606 256 A HA 0.555 4.877 4.320 0.003 0.000 0.293 256 A C -1.258 176.230 177.584 -0.160 0.000 1.082 256 A CA -1.037 50.924 52.037 -0.127 0.000 0.685 256 A CB 1.430 20.260 19.000 -0.283 0.000 1.284 256 A HN 0.720 nan 8.150 nan 0.000 0.408 257 R N -0.260 120.155 120.500 -0.142 0.000 2.590 257 R HA 0.315 4.657 4.340 0.003 0.000 0.274 257 R C -1.013 175.236 176.300 -0.085 0.000 1.061 257 R CA -0.187 55.855 56.100 -0.095 0.000 1.081 257 R CB 0.408 30.686 30.300 -0.037 0.000 0.984 257 R HN 0.453 nan 8.270 nan 0.000 0.448 258 L N 5.347 126.543 121.223 -0.045 0.000 2.295 258 L HA 0.347 4.689 4.340 0.003 0.000 0.281 258 L C -0.982 175.934 176.870 0.077 0.000 1.018 258 L CA -0.282 54.531 54.840 -0.046 0.000 0.841 258 L CB 1.016 43.061 42.059 -0.023 0.000 1.218 258 L HN 0.457 nan 8.230 nan 0.000 0.424 259 I N 4.088 124.702 120.570 0.074 0.000 2.353 259 I HA 0.261 4.433 4.170 0.003 0.000 0.293 259 I C -0.192 175.922 176.117 -0.006 0.000 0.992 259 I CA -0.358 60.969 61.300 0.045 0.000 1.268 259 I CB 1.170 39.202 38.000 0.054 0.000 1.387 259 I HN 0.608 nan 8.210 nan 0.000 0.478 260 c N 6.945 125.393 118.600 -0.254 0.000 2.407 260 c HA 0.736 5.307 4.570 0.003 0.000 0.328 260 c C 0.036 174.097 174.090 -0.048 0.000 1.137 260 c CA -0.003 56.116 56.329 -0.350 0.000 1.390 260 c CB -0.327 41.492 42.510 -1.151 0.000 1.989 260 c HN 0.986 nan 8.230 nan 0.000 0.432 261 S N 4.526 120.238 115.700 0.019 0.000 2.615 261 S HA 0.710 5.182 4.470 0.003 0.000 0.269 261 S C -1.167 173.463 174.600 0.050 0.000 1.161 261 S CA -0.828 57.418 58.200 0.077 0.000 0.817 261 S CB 1.497 64.686 63.200 -0.017 0.000 1.131 261 S HN 0.851 nan 8.310 nan 0.000 0.467 262 R N 1.030 121.556 120.500 0.044 0.000 2.607 262 R HA 0.442 4.783 4.340 0.003 0.000 0.278 262 R C -2.477 173.813 176.300 -0.017 0.000 1.637 262 R CA -1.972 54.131 56.100 0.004 0.000 1.325 262 R CB 0.999 31.300 30.300 0.002 0.000 1.211 262 R HN 0.439 nan 8.270 nan 0.000 0.565 263 P HA -0.223 nan 4.420 nan 0.000 0.217 263 P C 0.374 177.657 177.300 -0.028 0.000 1.148 263 P CA 1.328 64.407 63.100 -0.036 0.000 0.828 263 P CB 0.178 31.856 31.700 -0.037 0.000 0.783 264 D N -0.449 119.937 120.400 -0.024 0.000 2.190 264 D HA -0.118 4.524 4.640 0.003 0.000 0.200 264 D C 0.747 177.044 176.300 -0.005 0.000 0.992 264 D CA 1.491 55.481 54.000 -0.016 0.000 0.854 264 D CB -0.552 40.237 40.800 -0.019 0.000 0.936 264 D HN 0.273 nan 8.370 nan 0.000 0.462 265 S N -1.099 114.601 115.700 -0.001 0.000 2.749 265 S HA 0.473 4.945 4.470 0.003 0.000 0.246 265 S C 1.324 175.936 174.600 0.020 0.000 1.023 265 S CA -0.168 58.047 58.200 0.025 0.000 1.012 265 S CB 0.774 64.007 63.200 0.056 0.000 0.942 265 S HN 0.491 nan 8.310 nan 0.000 0.531 266 G N 1.978 110.771 108.800 -0.011 0.000 2.305 266 G HA2 -0.251 3.711 3.960 0.003 0.000 0.287 266 G HA3 -0.251 3.711 3.960 0.003 0.000 0.287 266 G C -0.200 174.662 174.900 -0.062 0.000 1.036 266 G CA 0.106 45.186 45.100 -0.034 0.000 0.887 266 G HN 0.571 nan 8.290 nan 0.000 0.505 267 L N -0.396 120.782 121.223 -0.075 0.000 2.282 267 L HA 0.741 5.083 4.340 0.003 0.000 0.288 267 L C 0.169 176.853 176.870 -0.311 0.000 1.033 267 L CA -1.040 53.684 54.840 -0.194 0.000 0.807 267 L CB 1.939 43.983 42.059 -0.026 0.000 1.209 267 L HN 0.078 nan 8.230 nan 0.000 0.423 268 V N 4.482 124.069 119.914 -0.545 0.000 2.668 268 V HA 0.485 4.607 4.120 0.003 0.000 0.304 268 V C -1.319 174.424 176.094 -0.585 0.000 1.071 268 V CA -0.251 61.810 62.300 -0.398 0.000 0.894 268 V CB 1.775 33.480 31.823 -0.196 0.000 1.008 268 V HN 0.497 nan 8.190 nan 0.000 0.425 269 F N 7.299 127.237 119.950 -0.020 0.000 2.310 269 F HA 0.460 5.037 4.527 0.083 0.000 0.365 269 F C 1.262 177.114 175.800 0.086 0.000 1.080 269 F CA -0.751 57.280 58.000 0.052 0.000 1.187 269 F CB 0.939 39.968 39.000 0.047 0.000 1.465 269 F HN 0.682 nan 8.300 nan 0.000 0.496 270 N N 0.560 119.386 118.700 0.209 0.000 2.314 270 N HA 0.035 4.777 4.740 0.003 0.000 0.200 270 N C -0.492 175.188 175.510 0.284 0.000 1.135 270 N CA 0.262 53.447 53.050 0.226 0.000 0.835 270 N CB 0.423 38.999 38.487 0.150 0.000 0.989 270 N HN 0.240 nan 8.380 nan 0.000 0.478 271 V N 1.812 121.932 119.914 0.344 0.000 2.378 271 V HA 0.288 4.409 4.120 0.003 0.000 0.288 271 V C 0.026 176.296 176.094 0.294 0.000 1.016 271 V CA -0.917 61.546 62.300 0.271 0.000 0.840 271 V CB 2.210 34.158 31.823 0.208 0.000 0.994 271 V HN 0.228 nan 8.190 nan 0.000 0.431 272 L N 5.972 127.300 121.223 0.175 0.000 2.319 272 L HA 0.428 4.770 4.340 0.003 0.000 0.280 272 L C 1.095 177.945 176.870 -0.034 0.000 1.099 272 L CA -0.252 54.548 54.840 -0.066 0.000 0.828 272 L CB 0.991 43.000 42.059 -0.083 0.000 1.150 272 L HN 0.677 nan 8.230 nan 0.000 0.442 273 R N 1.932 122.377 120.500 -0.091 0.000 2.191 273 R HA 0.275 4.617 4.340 0.003 0.000 0.196 273 R C -0.398 175.885 176.300 -0.029 0.000 0.991 273 R CA 0.121 56.216 56.100 -0.008 0.000 1.075 273 R CB 0.064 30.390 30.300 0.043 0.000 1.040 273 R HN 0.616 nan 8.270 nan 0.000 0.526 274 D N -1.217 119.115 120.400 -0.114 0.000 2.648 274 D HA 0.377 5.019 4.640 0.003 0.000 0.244 274 D C -1.608 174.538 176.300 -0.256 0.000 1.244 274 D CA -0.413 53.519 54.000 -0.115 0.000 0.772 274 D CB 2.184 42.953 40.800 -0.051 0.000 1.379 274 D HN -0.254 nan 8.370 nan 0.000 0.428 275 V N 1.912 121.583 119.914 -0.404 0.000 2.841 275 V HA 0.685 4.807 4.120 0.003 0.000 0.310 275 V C -1.131 174.495 176.094 -0.781 0.000 1.090 275 V CA -0.844 61.067 62.300 -0.649 0.000 0.930 275 V CB 1.971 33.135 31.823 -1.099 0.000 1.014 275 V HN 0.551 nan 8.190 nan 0.000 0.425 276 F N 3.415 123.042 119.950 -0.540 0.000 2.569 276 F HA 0.775 5.303 4.527 0.002 0.000 0.312 276 F C -0.806 174.923 175.800 -0.118 0.000 1.109 276 F CA -0.638 57.141 58.000 -0.367 0.000 0.919 276 F CB 1.955 40.858 39.000 -0.162 0.000 1.211 276 F HN 0.259 nan 8.300 nan 0.000 0.446 277 V N 7.073 126.510 119.914 -0.796 0.000 2.350 277 V HA 0.273 4.395 4.120 0.003 0.000 0.276 277 V C -0.221 175.550 176.094 -0.537 0.000 1.028 277 V CA -0.732 61.330 62.300 -0.396 0.000 0.860 277 V CB 1.344 33.069 31.823 -0.164 0.000 0.990 277 V HN 0.670 nan 8.190 nan 0.000 0.453 278 L N 6.493 127.658 121.223 -0.096 0.000 2.261 278 L HA 0.439 4.780 4.340 0.003 0.000 0.289 278 L C 1.023 177.888 176.870 -0.008 0.000 1.059 278 L CA 0.093 54.992 54.840 0.098 0.000 0.816 278 L CB 0.985 43.229 42.059 0.307 0.000 1.191 278 L HN 0.716 nan 8.230 nan 0.000 0.431 279 R N 1.423 121.913 120.500 -0.017 0.000 2.121 279 R HA 0.163 4.505 4.340 0.003 0.000 0.206 279 R C 0.347 176.648 176.300 0.002 0.000 1.094 279 R CA 0.017 56.099 56.100 -0.030 0.000 1.055 279 R CB 0.233 30.506 30.300 -0.045 0.000 0.964 279 R HN 0.732 nan 8.270 nan 0.000 0.473 280 S N 1.191 116.906 115.700 0.026 0.000 3.828 280 S HA -0.103 4.369 4.470 0.003 0.000 0.853 280 S C -2.075 172.531 174.600 0.010 0.000 1.181 280 S CA -0.118 58.097 58.200 0.026 0.000 1.026 280 S CB 0.116 63.338 63.200 0.037 0.000 1.377 280 S HN 0.175 nan 8.310 nan 0.000 0.295 281 P HA -0.066 nan 4.420 nan 0.000 0.217 281 P C 1.250 178.550 177.300 -0.000 0.000 1.148 281 P CA 1.552 64.653 63.100 0.001 0.000 0.828 281 P CB -0.047 31.653 31.700 -0.000 0.000 0.783 282 G N -1.046 107.754 108.800 0.001 0.000 3.379 282 G HA2 0.221 4.183 3.960 0.003 0.000 0.253 282 G HA3 0.221 4.183 3.960 0.003 0.000 0.253 282 G C -0.114 174.785 174.900 -0.001 0.000 1.262 282 G CA -0.043 45.057 45.100 -0.001 0.000 0.959 282 G HN 0.225 nan 8.290 nan 0.000 0.524 283 L N 0.353 121.575 121.223 -0.002 0.000 2.404 283 L HA 0.367 4.708 4.340 0.003 0.000 0.272 283 L C 0.986 177.848 176.870 -0.012 0.000 0.980 283 L CA -0.756 54.081 54.840 -0.006 0.000 0.836 283 L CB 2.124 44.180 42.059 -0.004 0.000 1.238 283 L HN -0.024 nan 8.230 nan 0.000 0.408 284 K N 1.977 122.369 120.400 -0.012 0.000 2.167 284 K HA 0.061 4.383 4.320 0.003 0.000 0.203 284 K C 0.057 176.644 176.600 -0.021 0.000 1.052 284 K CA 0.791 57.071 56.287 -0.012 0.000 0.956 284 K CB 0.566 33.062 32.500 -0.006 0.000 0.735 284 K HN 0.352 nan 8.250 nan 0.000 0.451 285 V N 2.835 122.730 119.914 -0.032 0.000 2.487 285 V HA 0.335 4.457 4.120 0.003 0.000 0.298 285 V C -2.582 173.457 176.094 -0.092 0.000 1.028 285 V CA -2.507 59.760 62.300 -0.055 0.000 0.860 285 V CB 1.770 33.567 31.823 -0.043 0.000 0.991 285 V HN 0.026 nan 8.190 nan 0.000 0.427 286 P HA 0.299 nan 4.420 nan 0.000 0.272 286 P C -1.137 175.985 177.300 -0.296 0.000 1.240 286 P CA -0.058 62.911 63.100 -0.219 0.000 0.791 286 P CB 0.722 32.242 31.700 -0.299 0.000 0.978 287 V N 1.557 121.324 119.914 -0.244 0.000 2.680 287 V HA 0.383 4.505 4.120 0.003 0.000 0.309 287 V C -0.524 175.459 176.094 -0.185 0.000 1.052 287 V CA -0.403 61.789 62.300 -0.178 0.000 0.908 287 V CB 1.227 33.057 31.823 0.011 0.000 1.001 287 V HN 0.296 nan 8.190 nan 0.000 0.431 288 F N 3.574 123.569 119.950 0.074 0.000 2.404 288 F HA 0.556 5.085 4.527 0.003 0.000 0.354 288 F C -0.262 175.609 175.800 0.117 0.000 1.122 288 F CA -0.716 57.332 58.000 0.080 0.000 1.080 288 F CB 0.871 39.929 39.000 0.096 0.000 1.131 288 F HN 0.341 nan 8.300 nan 0.000 0.471 289 Y N 1.927 122.376 120.300 0.248 0.000 2.341 289 Y HA 0.674 5.224 4.550 0.001 0.000 0.337 289 Y C 0.087 176.051 175.900 0.108 0.000 1.014 289 Y CA -0.750 57.466 58.100 0.194 0.000 1.111 289 Y CB 1.594 40.151 38.460 0.162 0.000 1.194 289 Y HN 0.663 nan 8.280 nan 0.000 0.462 290 A N 3.773 126.754 122.820 0.267 0.000 2.435 290 A HA 0.741 5.063 4.320 0.003 0.000 0.304 290 A C -2.092 175.483 177.584 -0.016 0.000 1.064 290 A CA -0.720 51.318 52.037 0.002 0.000 0.727 290 A CB 1.383 20.327 19.000 -0.094 0.000 1.284 290 A HN 0.670 nan 8.150 nan 0.000 0.415 291 L N 1.664 122.743 121.223 -0.240 0.000 2.322 291 L HA 0.892 5.234 4.340 0.003 0.000 0.281 291 L C -1.494 175.231 176.870 -0.243 0.000 1.014 291 L CA -0.184 54.609 54.840 -0.077 0.000 0.815 291 L CB 0.540 42.591 42.059 -0.014 0.000 1.247 291 L HN 0.601 nan 8.230 nan 0.000 0.421 292 F N 1.584 121.597 119.950 0.104 0.000 2.620 292 F HA 0.829 5.358 4.527 0.002 0.000 0.320 292 F C 0.217 176.131 175.800 0.190 0.000 1.069 292 F CA -0.548 57.547 58.000 0.159 0.000 0.953 292 F CB 2.461 41.593 39.000 0.221 0.000 1.322 292 F HN 0.561 nan 8.300 nan 0.000 0.479 293 T N -1.074 113.773 114.554 0.487 0.000 2.883 293 T HA 0.682 5.034 4.350 0.003 0.000 0.296 293 T C -3.265 171.704 174.700 0.448 0.000 1.117 293 T CA -2.524 59.843 62.100 0.445 0.000 1.006 293 T CB 2.465 71.493 68.868 0.266 0.000 1.191 293 T HN 0.207 nan 8.240 nan 0.000 0.508 294 P HA 0.325 nan 4.420 nan 0.000 0.284 294 P C 0.169 177.550 177.300 0.135 0.000 1.258 294 P CA -0.551 62.645 63.100 0.160 0.000 0.824 294 P CB 1.483 33.182 31.700 -0.002 0.000 1.038 295 Q N 1.843 121.714 119.800 0.119 0.000 2.204 295 Q HA 0.088 4.430 4.340 0.003 0.000 0.198 295 Q C 0.070 176.135 176.000 0.109 0.000 0.946 295 Q CA 0.714 56.587 55.803 0.116 0.000 0.859 295 Q CB 0.037 28.859 28.738 0.141 0.000 0.946 295 Q HN 0.451 nan 8.270 nan 0.000 0.474 296 L N 2.524 123.813 121.223 0.110 0.000 2.292 296 L HA 0.253 4.595 4.340 0.003 0.000 0.284 296 L C -0.311 176.599 176.870 0.066 0.000 1.065 296 L CA -0.622 54.289 54.840 0.118 0.000 0.806 296 L CB 0.965 43.105 42.059 0.134 0.000 1.175 296 L HN 0.256 nan 8.230 nan 0.000 0.431 297 N N 1.654 120.396 118.700 0.070 0.000 2.714 297 N HA -0.226 4.515 4.740 0.003 0.000 0.252 297 N C -0.281 175.251 175.510 0.037 0.000 1.014 297 N CA 0.535 53.611 53.050 0.045 0.000 0.735 297 N CB -1.287 37.219 38.487 0.032 0.000 0.924 297 N HN 0.664 nan 8.380 nan 0.000 0.540 298 N N 0.813 119.540 118.700 0.046 0.000 2.448 298 N HA 0.216 4.958 4.740 0.003 0.000 0.250 298 N C 0.983 176.516 175.510 0.039 0.000 1.136 298 N CA -0.284 52.799 53.050 0.055 0.000 0.953 298 N CB 0.527 39.057 38.487 0.072 0.000 1.251 298 N HN 0.165 nan 8.380 nan 0.000 0.502 299 V N 0.798 120.731 119.914 0.031 0.000 3.514 299 V HA 0.505 4.627 4.120 0.003 0.000 0.301 299 V C 0.927 177.027 176.094 0.010 0.000 1.346 299 V CA 0.033 62.340 62.300 0.012 0.000 1.156 299 V CB -0.604 31.217 31.823 -0.004 0.000 1.029 299 V HN 0.636 nan 8.190 nan 0.000 0.428 300 G N 0.834 109.652 108.800 0.030 0.000 2.978 300 G HA2 0.021 3.983 3.960 0.003 0.000 0.193 300 G HA3 0.021 3.983 3.960 0.003 0.000 0.193 300 G C -1.195 173.725 174.900 0.034 0.000 1.038 300 G CA -0.301 44.810 45.100 0.018 0.000 1.103 300 G HN 0.317 nan 8.290 nan 0.000 0.574 301 L N 0.977 122.265 121.223 0.109 0.000 2.365 301 L HA 0.913 5.255 4.340 0.003 0.000 0.273 301 L C 0.153 177.166 176.870 0.239 0.000 1.000 301 L CA -0.664 54.304 54.840 0.214 0.000 0.819 301 L CB 2.251 44.526 42.059 0.360 0.000 1.284 301 L HN 0.353 nan 8.230 nan 0.000 0.418 302 S N 1.715 117.501 115.700 0.143 0.000 2.569 302 S HA 0.994 5.466 4.470 0.003 0.000 0.280 302 S C -1.168 173.377 174.600 -0.090 0.000 1.111 302 S CA -0.519 57.730 58.200 0.083 0.000 0.887 302 S CB 2.089 65.312 63.200 0.039 0.000 1.095 302 S HN 0.818 nan 8.310 nan 0.000 0.476 303 A N 1.249 123.965 122.820 -0.174 0.000 2.572 303 A HA 0.841 5.162 4.320 0.003 0.000 0.295 303 A C -1.626 175.977 177.584 0.031 0.000 1.072 303 A CA -0.617 51.229 52.037 -0.319 0.000 0.691 303 A CB 1.341 19.641 19.000 -1.168 0.000 1.291 303 A HN 0.611 nan 8.150 nan 0.000 0.404 304 V N 0.320 120.264 119.914 0.051 0.000 2.540 304 V HA 0.551 4.673 4.120 0.003 0.000 0.302 304 V C -0.539 175.620 176.094 0.109 0.000 1.035 304 V CA -0.426 61.973 62.300 0.164 0.000 0.873 304 V CB 1.381 33.288 31.823 0.139 0.000 0.992 304 V HN 1.062 nan 8.190 nan 0.000 0.428 305 c N 3.623 122.334 118.600 0.185 0.000 2.634 305 c HA 0.926 5.498 4.570 0.003 0.000 0.313 305 c C 0.322 174.260 174.090 -0.253 0.000 1.198 305 c CA -0.603 55.676 56.329 -0.084 0.000 1.605 305 c CB 1.463 43.917 42.510 -0.094 0.000 2.196 305 c HN 1.004 nan 8.230 nan 0.000 0.486 306 A N 2.267 124.737 122.820 -0.583 0.000 2.342 306 A HA 0.873 5.195 4.320 0.003 0.000 0.323 306 A C -1.697 175.507 177.584 -0.633 0.000 1.125 306 A CA -0.276 51.345 52.037 -0.693 0.000 0.785 306 A CB 0.619 19.008 19.000 -1.018 0.000 1.221 306 A HN 0.818 nan 8.150 nan 0.000 0.463 307 Y N 0.462 120.722 120.300 -0.067 0.000 2.462 307 Y HA 0.389 4.938 4.550 -0.001 0.000 0.346 307 Y C 0.376 176.303 175.900 0.044 0.000 0.976 307 Y CA -0.567 57.565 58.100 0.053 0.000 1.044 307 Y CB 2.084 40.665 38.460 0.201 0.000 1.230 307 Y HN 0.829 nan 8.280 nan 0.000 0.455 308 N N 2.181 120.982 118.700 0.169 0.000 2.458 308 N HA 0.117 4.858 4.740 0.003 0.000 0.270 308 N C 0.874 176.456 175.510 0.121 0.000 1.102 308 N CA -0.297 52.797 53.050 0.074 0.000 0.967 308 N CB 0.828 39.337 38.487 0.038 0.000 1.078 308 N HN 0.754 nan 8.380 nan 0.000 0.471 309 L N 4.034 125.263 121.223 0.009 0.000 2.042 309 L HA -0.183 4.158 4.340 0.003 0.000 0.210 309 L C 2.229 179.158 176.870 0.097 0.000 1.076 309 L CA 2.051 56.914 54.840 0.039 0.000 0.749 309 L CB -0.842 41.116 42.059 -0.168 0.000 0.893 309 L HN 0.759 nan 8.230 nan 0.000 0.432 310 S N -2.467 113.266 115.700 0.056 0.000 2.419 310 S HA -0.192 4.280 4.470 0.003 0.000 0.233 310 S C 1.802 176.445 174.600 0.072 0.000 1.016 310 S CA 1.499 59.739 58.200 0.066 0.000 0.974 310 S CB -1.243 61.982 63.200 0.042 0.000 0.786 310 S HN 0.588 nan 8.310 nan 0.000 0.492 311 T N 2.431 117.030 114.554 0.076 0.000 2.777 311 T HA 0.130 4.482 4.350 0.003 0.000 0.266 311 T C 2.207 176.921 174.700 0.024 0.000 1.040 311 T CA 1.342 63.477 62.100 0.058 0.000 1.141 311 T CB -0.717 68.204 68.868 0.088 0.000 0.868 311 T HN 0.650 nan 8.240 nan 0.000 0.444 312 A N 1.503 124.363 122.820 0.067 0.000 1.929 312 A HA -0.057 4.265 4.320 0.003 0.000 0.216 312 A C 2.186 179.780 177.584 0.017 0.000 1.176 312 A CA 1.261 53.292 52.037 -0.011 0.000 0.628 312 A CB -0.438 18.672 19.000 0.183 0.000 0.816 312 A HN 0.527 nan 8.150 nan 0.000 0.444 313 E N -0.588 119.716 120.200 0.174 0.000 2.110 313 E HA -0.236 4.115 4.350 0.003 0.000 0.193 313 E C 2.006 178.645 176.600 0.064 0.000 0.988 313 E CA 1.297 57.821 56.400 0.206 0.000 0.804 313 E CB -0.088 29.718 29.700 0.176 0.000 0.745 313 E HN 0.715 nan 8.360 nan 0.000 0.458 314 E N 0.880 121.096 120.200 0.026 0.000 2.077 314 E HA -0.164 4.188 4.350 0.003 0.000 0.193 314 E C 1.965 178.531 176.600 -0.056 0.000 0.989 314 E CA 1.126 57.542 56.400 0.025 0.000 0.800 314 E CB -0.173 29.560 29.700 0.055 0.000 0.746 314 E HN 0.029 nan 8.360 nan 0.000 0.452 315 V N 0.141 119.953 119.914 -0.170 0.000 2.295 315 V HA -0.209 3.913 4.120 0.003 0.000 0.246 315 V C 2.054 177.948 176.094 -0.333 0.000 1.049 315 V CA 1.893 64.012 62.300 -0.301 0.000 1.024 315 V CB -0.641 30.886 31.823 -0.493 0.000 0.648 315 V HN 0.254 nan 8.190 nan 0.000 0.447 316 F N 1.204 121.085 119.950 -0.115 0.000 2.259 316 F HA -0.092 4.436 4.527 0.003 0.000 0.298 316 F C 2.612 178.295 175.800 -0.194 0.000 1.088 316 F CA 1.372 59.275 58.000 -0.161 0.000 1.358 316 F CB -0.856 38.067 39.000 -0.128 0.000 1.040 316 F HN 0.286 nan 8.300 nan 0.000 0.505 317 S N -2.330 113.321 115.700 -0.082 0.000 2.503 317 S HA 0.020 4.492 4.470 0.003 0.000 0.217 317 S C 1.193 175.491 174.600 -0.502 0.000 0.999 317 S CA 0.581 58.597 58.200 -0.305 0.000 0.914 317 S CB -0.264 62.677 63.200 -0.431 0.000 0.782 317 S HN 0.389 nan 8.310 nan 0.000 0.520 318 H N 0.350 119.406 119.070 -0.023 0.000 3.535 318 H HA 0.386 4.943 4.556 0.003 0.000 0.260 318 H C 1.163 176.451 175.328 -0.068 0.000 1.173 318 H CA 0.006 56.036 56.048 -0.031 0.000 1.168 318 H CB -0.122 29.631 29.762 -0.016 0.000 1.568 318 H HN 0.444 nan 8.280 nan 0.000 0.602 319 G N 1.319 110.090 108.800 -0.048 0.000 2.606 319 G HA2 0.206 4.167 3.960 0.003 0.000 0.252 319 G HA3 0.206 4.167 3.960 0.003 0.000 0.252 319 G C 0.195 175.001 174.900 -0.157 0.000 1.206 319 G CA -0.449 44.591 45.100 -0.100 0.000 0.861 319 G HN -0.005 nan 8.290 nan 0.000 0.561 320 K N -0.135 120.225 120.400 -0.067 0.000 2.154 320 K HA 0.220 4.542 4.320 0.003 0.000 0.264 320 K C -0.727 175.878 176.600 0.009 0.000 1.008 320 K CA -0.047 56.265 56.287 0.042 0.000 0.937 320 K CB 1.079 33.650 32.500 0.117 0.000 1.002 320 K HN 0.501 nan 8.250 nan 0.000 0.469 321 Y N 0.711 121.171 120.300 0.267 0.000 2.334 321 Y HA 0.267 4.819 4.550 0.003 0.000 0.325 321 Y C 1.051 177.137 175.900 0.311 0.000 1.308 321 Y CA -0.613 57.653 58.100 0.277 0.000 1.389 321 Y CB 0.766 39.422 38.460 0.327 0.000 1.328 321 Y HN 0.252 nan 8.280 nan 0.000 0.532 322 M N 0.749 120.640 119.600 0.485 0.000 2.613 322 M HA 0.359 4.841 4.480 0.003 0.000 0.301 322 M C -0.982 175.625 176.300 0.511 0.000 1.205 322 M CA -0.760 54.817 55.300 0.462 0.000 0.950 322 M CB 1.895 34.764 32.600 0.448 0.000 1.585 322 M HN 0.629 nan 8.290 nan 0.000 0.490 323 Q N 0.499 120.500 119.800 0.334 0.000 2.305 323 Q HA 0.353 4.695 4.340 0.003 0.000 0.271 323 Q C -1.302 174.381 176.000 -0.527 0.000 1.046 323 Q CA -0.417 55.366 55.803 -0.033 0.000 0.798 323 Q CB 2.255 31.088 28.738 0.159 0.000 1.286 323 Q HN 0.702 nan 8.270 nan 0.000 0.435 324 S N 2.249 117.197 115.700 -1.252 0.000 2.548 324 S HA 0.551 5.023 4.470 0.003 0.000 0.277 324 S C -0.650 173.551 174.600 -0.665 0.000 1.315 324 S CA 0.252 57.529 58.200 -1.540 0.000 1.050 324 S CB 0.395 62.623 63.200 -1.619 0.000 0.918 324 S HN 0.640 nan 8.310 nan 0.000 0.497 325 T N 1.396 115.672 114.554 -0.465 0.000 2.881 325 T HA 0.353 4.705 4.350 0.003 0.000 0.291 325 T C -0.118 174.486 174.700 -0.159 0.000 0.990 325 T CA -0.696 61.267 62.100 -0.227 0.000 0.976 325 T CB 1.235 70.028 68.868 -0.124 0.000 0.970 325 T HN 0.468 nan 8.240 nan 0.000 0.438 326 T N 3.796 118.280 114.554 -0.116 0.000 4.219 326 T HA 0.196 4.547 4.350 0.003 0.000 0.263 326 T C 0.333 175.023 174.700 -0.016 0.000 1.217 326 T CA -0.252 61.812 62.100 -0.060 0.000 1.145 326 T CB -1.097 67.738 68.868 -0.054 0.000 1.298 326 T HN 0.700 nan 8.240 nan 0.000 0.999 327 V N 5.273 125.188 119.914 0.001 0.000 2.529 327 V HA 0.217 4.339 4.120 0.003 0.000 0.292 327 V C 0.851 176.974 176.094 0.047 0.000 1.028 327 V CA 0.435 62.747 62.300 0.020 0.000 1.074 327 V CB 0.002 31.839 31.823 0.024 0.000 0.958 327 V HN 1.060 nan 8.190 nan 0.000 0.481 328 E N 3.588 123.807 120.200 0.030 0.000 3.063 328 E HA -0.269 4.083 4.350 0.003 0.000 0.330 328 E C -0.292 176.344 176.600 0.060 0.000 1.434 328 E CA 1.978 58.400 56.400 0.037 0.000 1.556 328 E CB -0.737 28.977 29.700 0.025 0.000 1.827 328 E HN 0.978 nan 8.360 nan 0.000 0.526 329 Q N -0.622 119.245 119.800 0.113 0.000 2.269 329 Q HA 0.751 5.092 4.340 0.003 0.000 0.263 329 Q C -0.149 175.949 176.000 0.164 0.000 0.983 329 Q CA 0.230 56.095 55.803 0.105 0.000 0.777 329 Q CB 2.197 30.978 28.738 0.071 0.000 1.273 329 Q HN 0.494 nan 8.270 nan 0.000 0.440 330 S N 0.442 116.167 115.700 0.041 0.000 2.596 330 S HA -0.146 4.325 4.470 0.003 0.000 0.260 330 S C -0.474 173.958 174.600 -0.280 0.000 1.282 330 S CA 0.914 59.049 58.200 -0.108 0.000 1.357 330 S CB -0.782 62.326 63.200 -0.153 0.000 1.674 330 S HN 0.820 nan 8.310 nan 0.000 0.641 331 H N 1.709 120.785 119.070 0.010 0.000 2.685 331 H HA 0.413 4.971 4.556 0.002 0.000 0.307 331 H C 0.312 175.646 175.328 0.010 0.000 1.017 331 H CA 0.392 56.453 56.048 0.022 0.000 1.237 331 H CB 1.340 31.119 29.762 0.027 0.000 1.409 331 H HN 0.394 nan 8.280 nan 0.000 0.488 332 T N 1.629 116.229 114.554 0.078 0.000 2.799 332 T HA 0.381 4.732 4.350 0.003 0.000 0.286 332 T C -0.036 174.702 174.700 0.064 0.000 0.973 332 T CA -0.903 61.207 62.100 0.017 0.000 1.035 332 T CB 1.271 70.118 68.868 -0.035 0.000 0.932 332 T HN 0.598 nan 8.240 nan 0.000 0.469 333 K N 3.513 123.911 120.400 -0.004 0.000 2.259 333 K HA 0.587 4.908 4.320 0.003 0.000 0.252 333 K C -1.761 174.819 176.600 -0.033 0.000 0.936 333 K CA -0.867 55.464 56.287 0.074 0.000 0.810 333 K CB 1.219 33.763 32.500 0.074 0.000 1.143 333 K HN 0.658 nan 8.250 nan 0.000 0.427 334 W N 4.500 125.814 121.300 0.024 0.000 2.391 334 W HA 0.440 5.102 4.660 0.005 0.000 0.311 334 W C -0.452 176.083 176.519 0.027 0.000 1.087 334 W CA -0.393 56.961 57.345 0.016 0.000 1.209 334 W CB 1.570 31.024 29.460 -0.009 0.000 1.273 334 W HN 0.425 nan 8.180 nan 0.000 0.482 335 V N 0.992 121.021 119.914 0.191 0.000 3.126 335 V HA 0.627 4.748 4.120 0.003 0.000 0.314 335 V C -0.084 176.133 176.094 0.204 0.000 1.138 335 V CA -1.975 60.422 62.300 0.161 0.000 1.034 335 V CB 1.540 33.421 31.823 0.097 0.000 1.075 335 V HN 0.537 nan 8.190 nan 0.000 0.442 336 R N 0.754 121.357 120.500 0.172 0.000 2.543 336 R HA 0.258 4.600 4.340 0.003 0.000 0.277 336 R C -1.335 175.111 176.300 0.243 0.000 1.074 336 R CA -0.286 55.933 56.100 0.198 0.000 1.076 336 R CB 0.437 30.815 30.300 0.130 0.000 0.993 336 R HN 0.912 nan 8.270 nan 0.000 0.459 337 Y N 3.652 124.059 120.300 0.178 0.000 2.328 337 Y HA 0.248 4.799 4.550 0.002 0.000 0.337 337 Y C -0.533 175.461 175.900 0.156 0.000 1.008 337 Y CA -0.333 57.876 58.100 0.181 0.000 1.129 337 Y CB 1.349 39.967 38.460 0.262 0.000 1.185 337 Y HN 0.796 nan 8.280 nan 0.000 0.476 338 N N 2.614 121.056 118.700 -0.429 0.000 2.184 338 N HA 0.181 4.923 4.740 0.003 0.000 0.206 338 N C 0.765 175.952 175.510 -0.539 0.000 1.151 338 N CA 0.026 52.867 53.050 -0.348 0.000 0.878 338 N CB 0.598 38.991 38.487 -0.157 0.000 1.014 338 N HN 0.806 nan 8.380 nan 0.000 0.512 339 G N 1.717 109.829 108.800 -1.147 0.000 2.529 339 G HA2 0.164 4.126 3.960 0.003 0.000 0.277 339 G HA3 0.164 4.126 3.960 0.003 0.000 0.277 339 G C -2.249 172.465 174.900 -0.309 0.000 1.383 339 G CA -0.516 44.174 45.100 -0.683 0.000 1.050 339 G HN -0.044 nan 8.290 nan 0.000 0.526 340 P HA 0.372 nan 4.420 nan 0.000 0.282 340 P C -0.816 176.559 177.300 0.125 0.000 1.249 340 P CA -0.392 62.744 63.100 0.060 0.000 0.806 340 P CB 1.739 33.465 31.700 0.043 0.000 0.984 341 V N 4.763 124.670 119.914 -0.013 0.000 2.398 341 V HA 0.273 4.394 4.120 0.003 0.000 0.286 341 V C -1.857 174.059 176.094 -0.297 0.000 1.026 341 V CA -1.732 60.399 62.300 -0.281 0.000 0.868 341 V CB 0.694 32.431 31.823 -0.143 0.000 0.982 341 V HN 0.581 nan 8.190 nan 0.000 0.443 342 P HA -0.031 nan 4.420 nan 0.000 0.269 342 P C 0.741 177.948 177.300 -0.156 0.000 1.200 342 P CA -0.050 62.887 63.100 -0.271 0.000 0.779 342 P CB 0.573 32.075 31.700 -0.330 0.000 0.841 343 K N 2.971 123.325 120.400 -0.076 0.000 2.101 343 K HA -0.161 4.161 4.320 0.003 0.000 0.232 343 K C -1.425 175.164 176.600 -0.018 0.000 0.906 343 K CA 1.743 58.020 56.287 -0.015 0.000 1.044 343 K CB -1.929 30.588 32.500 0.028 0.000 0.641 343 K HN 0.483 nan 8.250 nan 0.000 0.636 344 P HA 0.141 nan 4.420 nan 0.000 0.280 344 P C -1.216 176.046 177.300 -0.063 0.000 1.244 344 P CA -0.096 62.981 63.100 -0.037 0.000 0.784 344 P CB 1.087 32.708 31.700 -0.132 0.000 0.913 345 R N 4.207 124.696 120.500 -0.020 0.000 2.486 345 R HA 0.032 4.374 4.340 0.003 0.000 0.303 345 R C -2.031 174.272 176.300 0.005 0.000 0.958 345 R CA -0.908 55.190 56.100 -0.004 0.000 1.077 345 R CB -0.625 29.709 30.300 0.056 0.000 0.921 345 R HN 0.354 nan 8.270 nan 0.000 0.406 346 P HA 0.040 nan 4.420 nan 0.000 0.263 346 P C 0.200 177.599 177.300 0.164 0.000 1.195 346 P CA 0.939 64.061 63.100 0.037 0.000 0.762 346 P CB 1.000 32.681 31.700 -0.031 0.000 0.799 347 G N 2.017 110.881 108.800 0.106 0.000 2.195 347 G HA2 -0.154 3.807 3.960 0.003 0.000 0.246 347 G HA3 -0.154 3.807 3.960 0.003 0.000 0.246 347 G C 0.428 175.338 174.900 0.016 0.000 0.984 347 G CA -0.033 45.110 45.100 0.070 0.000 0.633 347 G HN 0.837 nan 8.290 nan 0.000 0.525 348 A N -0.452 122.386 122.820 0.030 0.000 2.332 348 A HA 0.653 4.974 4.320 0.003 0.000 0.258 348 A C 1.118 178.707 177.584 0.009 0.000 1.087 348 A CA 0.516 52.558 52.037 0.008 0.000 0.802 348 A CB 0.391 19.401 19.000 0.018 0.000 1.042 348 A HN 1.067 nan 8.150 nan 0.000 0.489 349 c N 0.514 119.118 118.600 0.007 0.000 2.470 349 c HA 0.329 4.901 4.570 0.003 0.000 0.350 349 c C 0.732 174.846 174.090 0.041 0.000 1.341 349 c CA -0.603 55.741 56.329 0.026 0.000 2.440 349 c CB -0.193 42.330 42.510 0.021 0.000 2.295 349 c HN 0.615 nan 8.230 nan 0.000 0.645 350 I N 3.288 123.892 120.570 0.057 0.000 2.293 350 I HA 0.152 4.324 4.170 0.003 0.000 0.299 350 I C 0.458 176.616 176.117 0.069 0.000 1.153 350 I CA 0.889 62.232 61.300 0.071 0.000 1.302 350 I CB -1.455 36.596 38.000 0.084 0.000 1.460 350 I HN 0.665 nan 8.210 nan 0.000 0.552 351 D N 3.207 123.647 120.400 0.067 0.000 2.577 351 D HA 0.326 4.968 4.640 0.003 0.000 0.248 351 D C 1.207 177.547 176.300 0.067 0.000 1.181 351 D CA -0.411 53.626 54.000 0.061 0.000 1.083 351 D CB 0.507 41.337 40.800 0.051 0.000 1.198 351 D HN 0.189 nan 8.370 nan 0.000 0.626 352 S N 0.724 116.460 115.700 0.059 0.000 2.348 352 S HA -0.169 4.303 4.470 0.003 0.000 0.221 352 S C 1.650 176.290 174.600 0.066 0.000 1.033 352 S CA 1.187 59.422 58.200 0.057 0.000 1.010 352 S CB -0.452 62.777 63.200 0.049 0.000 0.891 352 S HN 0.488 nan 8.310 nan 0.000 0.442 353 E N 2.162 122.405 120.200 0.071 0.000 2.209 353 E HA -0.115 4.237 4.350 0.003 0.000 0.196 353 E C 1.998 178.669 176.600 0.119 0.000 0.993 353 E CA 1.193 57.642 56.400 0.082 0.000 0.819 353 E CB -0.351 29.396 29.700 0.079 0.000 0.745 353 E HN 0.575 nan 8.360 nan 0.000 0.477 354 A N 1.702 124.607 122.820 0.141 0.000 1.943 354 A HA 0.021 4.342 4.320 0.003 0.000 0.213 354 A C 2.254 179.968 177.584 0.218 0.000 1.181 354 A CA 0.299 52.487 52.037 0.251 0.000 0.653 354 A CB -0.099 19.019 19.000 0.197 0.000 0.833 354 A HN -0.004 nan 8.150 nan 0.000 0.451 355 R N -0.150 120.425 120.500 0.124 0.000 2.081 355 R HA -0.081 4.261 4.340 0.003 0.000 0.235 355 R C 2.252 178.568 176.300 0.027 0.000 1.131 355 R CA 1.265 57.409 56.100 0.074 0.000 0.960 355 R CB -0.554 29.782 30.300 0.059 0.000 0.856 355 R HN 0.477 nan 8.270 nan 0.000 0.436 356 A N 0.712 123.553 122.820 0.033 0.000 2.172 356 A HA 0.021 4.343 4.320 0.003 0.000 0.216 356 A C 1.847 179.415 177.584 -0.027 0.000 1.154 356 A CA 1.447 53.489 52.037 0.009 0.000 0.701 356 A CB -0.122 18.893 19.000 0.025 0.000 0.789 356 A HN 0.350 nan 8.150 nan 0.000 0.465 357 A N -1.246 121.544 122.820 -0.050 0.000 2.430 357 A HA 0.365 4.687 4.320 0.003 0.000 0.243 357 A C 0.606 177.914 177.584 -0.461 0.000 1.254 357 A CA 0.275 52.200 52.037 -0.186 0.000 0.914 357 A CB -0.087 18.877 19.000 -0.060 0.000 0.998 357 A HN 0.393 nan 8.150 nan 0.000 0.515 358 N N -1.478 117.056 118.700 -0.276 0.000 2.815 358 N HA -0.152 4.590 4.740 0.003 0.000 0.249 358 N C -1.415 173.924 175.510 -0.285 0.000 1.114 358 N CA 0.903 53.801 53.050 -0.254 0.000 0.717 358 N CB -1.985 36.356 38.487 -0.243 0.000 1.074 358 N HN 0.528 nan 8.380 nan 0.000 0.555 359 Y N -0.064 120.250 120.300 0.024 0.000 2.342 359 Y HA 0.395 4.947 4.550 0.003 0.000 0.338 359 Y C 1.731 177.649 175.900 0.030 0.000 0.965 359 Y CA -0.402 57.715 58.100 0.028 0.000 1.159 359 Y CB 1.449 39.927 38.460 0.030 0.000 1.157 359 Y HN 0.123 nan 8.280 nan 0.000 0.486 360 T N -2.227 112.431 114.554 0.174 0.000 3.040 360 T HA 0.335 4.686 4.350 0.003 0.000 0.266 360 T C 0.215 174.979 174.700 0.106 0.000 1.005 360 T CA 0.116 62.285 62.100 0.114 0.000 0.906 360 T CB 0.151 69.064 68.868 0.074 0.000 1.082 360 T HN 0.423 nan 8.240 nan 0.000 0.531 361 S N 0.081 115.853 115.700 0.120 0.000 2.547 361 S HA 0.465 4.937 4.470 0.003 0.000 0.270 361 S C 1.002 175.652 174.600 0.084 0.000 1.150 361 S CA 0.131 58.387 58.200 0.094 0.000 0.850 361 S CB 1.455 64.703 63.200 0.080 0.000 1.118 361 S HN 0.340 nan 8.310 nan 0.000 0.461 362 S N 2.837 118.578 115.700 0.069 0.000 2.440 362 S HA -0.065 4.407 4.470 0.003 0.000 0.238 362 S C 1.694 176.318 174.600 0.039 0.000 1.010 362 S CA 1.088 59.318 58.200 0.050 0.000 0.972 362 S CB -0.804 62.438 63.200 0.070 0.000 0.774 362 S HN 0.675 nan 8.310 nan 0.000 0.501 363 L N 1.117 122.370 121.223 0.049 0.000 2.362 363 L HA 0.024 4.366 4.340 0.003 0.000 0.219 363 L C 1.515 178.420 176.870 0.057 0.000 1.134 363 L CA 0.992 55.858 54.840 0.044 0.000 0.807 363 L CB -0.685 41.399 42.059 0.042 0.000 0.927 363 L HN 0.390 nan 8.230 nan 0.000 0.447 364 N N -0.949 117.802 118.700 0.084 0.000 2.280 364 N HA 0.166 4.907 4.740 0.003 0.000 0.192 364 N C 0.068 175.641 175.510 0.105 0.000 1.109 364 N CA -0.196 52.943 53.050 0.148 0.000 0.855 364 N CB 0.363 39.003 38.487 0.255 0.000 0.974 364 N HN 0.154 nan 8.380 nan 0.000 0.482 365 L N 2.028 123.218 121.223 -0.056 0.000 2.453 365 L HA 0.189 4.530 4.340 0.003 0.000 0.272 365 L C -1.977 174.818 176.870 -0.126 0.000 1.182 365 L CA -1.635 53.051 54.840 -0.256 0.000 0.858 365 L CB 0.146 42.094 42.059 -0.184 0.000 1.120 365 L HN -0.138 nan 8.230 nan 0.000 0.474 366 P HA -0.001 nan 4.420 nan 0.000 0.268 366 P C -0.049 177.244 177.300 -0.011 0.000 1.205 366 P CA -0.207 62.878 63.100 -0.024 0.000 0.771 366 P CB 0.549 32.244 31.700 -0.008 0.000 0.858 367 D N 1.823 122.235 120.400 0.020 0.000 2.221 367 D HA -0.176 4.466 4.640 0.003 0.000 0.204 367 D C 1.599 177.923 176.300 0.040 0.000 0.982 367 D CA 1.279 55.297 54.000 0.031 0.000 0.857 367 D CB 0.041 40.861 40.800 0.034 0.000 0.934 367 D HN 0.485 nan 8.370 nan 0.000 0.475 368 K N 0.346 120.767 120.400 0.034 0.000 2.097 368 K HA -0.104 4.217 4.320 0.003 0.000 0.206 368 K C 1.814 178.445 176.600 0.052 0.000 1.049 368 K CA 1.169 57.484 56.287 0.046 0.000 0.933 368 K CB 0.095 32.614 32.500 0.030 0.000 0.717 368 K HN -0.029 nan 8.250 nan 0.000 0.442 369 T N 1.694 116.252 114.554 0.006 0.000 2.812 369 T HA -0.029 4.323 4.350 0.003 0.000 0.264 369 T C 1.781 176.521 174.700 0.066 0.000 1.042 369 T CA 0.962 63.054 62.100 -0.013 0.000 1.140 369 T CB -0.024 68.794 68.868 -0.084 0.000 0.870 369 T HN 0.146 nan 8.240 nan 0.000 0.445 370 L N 0.812 122.071 121.223 0.060 0.000 2.056 370 L HA -0.103 4.239 4.340 0.003 0.000 0.207 370 L C 2.841 179.795 176.870 0.140 0.000 1.078 370 L CA 1.185 56.084 54.840 0.099 0.000 0.749 370 L CB -0.519 41.583 42.059 0.072 0.000 0.901 370 L HN 0.218 nan 8.230 nan 0.000 0.433 371 Q N 0.096 119.970 119.800 0.122 0.000 2.124 371 Q HA -0.227 4.115 4.340 0.003 0.000 0.202 371 Q C 2.011 178.107 176.000 0.159 0.000 0.977 371 Q CA 1.744 57.621 55.803 0.123 0.000 0.850 371 Q CB -0.419 28.373 28.738 0.091 0.000 0.901 371 Q HN 0.404 nan 8.270 nan 0.000 0.429 372 F N -0.809 119.155 119.950 0.023 0.000 2.075 372 F HA -0.199 4.330 4.527 0.003 0.000 0.297 372 F C 2.124 177.967 175.800 0.072 0.000 1.113 372 F CA 1.608 59.609 58.000 0.001 0.000 1.218 372 F CB -0.530 38.348 39.000 -0.203 0.000 0.984 372 F HN 0.019 nan 8.300 nan 0.000 0.472 373 V N 0.910 121.006 119.914 0.303 0.000 2.490 373 V HA -0.312 3.809 4.120 0.003 0.000 0.250 373 V C 2.442 178.647 176.094 0.186 0.000 1.061 373 V CA 2.357 64.786 62.300 0.215 0.000 1.064 373 V CB -0.572 31.362 31.823 0.185 0.000 0.670 373 V HN 0.452 nan 8.190 nan 0.000 0.461 374 K N -0.612 119.951 120.400 0.270 0.000 2.097 374 K HA -0.191 4.131 4.320 0.003 0.000 0.206 374 K C 1.487 178.317 176.600 0.384 0.000 1.049 374 K CA 1.962 58.522 56.287 0.456 0.000 0.933 374 K CB -0.132 32.557 32.500 0.315 0.000 0.717 374 K HN 0.489 nan 8.250 nan 0.000 0.442 375 D N -0.716 119.750 120.400 0.109 0.000 2.367 375 D HA 0.010 4.652 4.640 0.003 0.000 0.207 375 D C -0.117 175.971 176.300 -0.354 0.000 1.034 375 D CA 0.614 54.546 54.000 -0.113 0.000 0.861 375 D CB 0.339 40.953 40.800 -0.310 0.000 0.943 375 D HN 0.312 nan 8.370 nan 0.000 0.515 376 H N -0.416 118.547 119.070 -0.177 0.000 2.386 376 H HA 0.209 4.766 4.556 0.003 0.000 0.232 376 H C -1.747 173.606 175.328 0.042 0.000 1.416 376 H CA -1.213 54.758 56.048 -0.129 0.000 1.285 376 H CB 1.083 30.476 29.762 -0.614 0.000 1.625 376 H HN -0.027 nan 8.280 nan 0.000 0.521 377 P HA -0.044 nan 4.420 nan 0.000 0.236 377 P C 0.038 177.322 177.300 -0.027 0.000 1.177 377 P CA 0.188 63.240 63.100 -0.081 0.000 0.773 377 P CB 0.736 32.231 31.700 -0.342 0.000 0.878 378 L N 0.556 121.804 121.223 0.042 0.000 2.275 378 L HA 0.366 4.708 4.340 0.003 0.000 0.288 378 L C 0.009 176.935 176.870 0.093 0.000 1.046 378 L CA -0.604 54.225 54.840 -0.018 0.000 0.805 378 L CB 0.433 42.365 42.059 -0.211 0.000 1.193 378 L HN -0.237 nan 8.230 nan 0.000 0.426 379 M N 3.046 122.652 119.600 0.009 0.000 2.250 379 M HA 0.142 4.624 4.480 0.003 0.000 0.344 379 M C 0.857 177.140 176.300 -0.029 0.000 1.150 379 M CA 0.037 55.313 55.300 -0.040 0.000 1.147 379 M CB 0.614 33.127 32.600 -0.145 0.000 1.498 379 M HN 0.658 nan 8.290 nan 0.000 0.461 380 D N 0.446 120.845 120.400 -0.002 0.000 2.213 380 D HA -0.048 4.593 4.640 0.003 0.000 0.205 380 D C -0.360 175.926 176.300 -0.022 0.000 0.961 380 D CA 0.874 54.889 54.000 0.024 0.000 0.853 380 D CB 0.536 41.386 40.800 0.082 0.000 0.967 380 D HN 0.488 nan 8.370 nan 0.000 0.496 381 D N 0.047 120.409 120.400 -0.064 0.000 2.313 381 D HA 0.170 4.812 4.640 0.003 0.000 0.247 381 D C -0.337 175.906 176.300 -0.095 0.000 1.094 381 D CA -0.002 53.957 54.000 -0.069 0.000 0.925 381 D CB 1.688 42.437 40.800 -0.084 0.000 1.188 381 D HN -0.046 nan 8.370 nan 0.000 0.430 382 S N 0.104 115.769 115.700 -0.058 0.000 2.585 382 S HA 0.307 4.779 4.470 0.003 0.000 0.277 382 S C 0.012 174.573 174.600 -0.065 0.000 1.241 382 S CA -0.800 57.370 58.200 -0.051 0.000 1.041 382 S CB 1.431 64.636 63.200 0.007 0.000 0.987 382 S HN 0.149 nan 8.310 nan 0.000 0.512 383 V N 3.899 123.763 119.914 -0.083 0.000 2.385 383 V HA 0.341 4.463 4.120 0.003 0.000 0.269 383 V C 0.637 176.782 176.094 0.086 0.000 1.043 383 V CA -0.437 61.827 62.300 -0.060 0.000 0.906 383 V CB 0.580 32.311 31.823 -0.154 0.000 0.995 383 V HN 1.047 nan 8.190 nan 0.000 0.467 384 T N 4.935 119.584 114.554 0.158 0.000 2.925 384 T HA 0.640 4.991 4.350 0.003 0.000 0.285 384 T C -2.611 172.258 174.700 0.282 0.000 1.021 384 T CA -2.257 59.979 62.100 0.227 0.000 1.042 384 T CB 2.053 70.972 68.868 0.084 0.000 1.037 384 T HN 0.426 nan 8.240 nan 0.000 0.481 385 P HA 0.285 nan 4.420 nan 0.000 0.272 385 P C -0.145 177.031 177.300 -0.205 0.000 1.240 385 P CA -0.655 62.194 63.100 -0.419 0.000 0.791 385 P CB 0.491 31.825 31.700 -0.610 0.000 0.978 386 I N 1.928 122.349 120.570 -0.248 0.000 2.662 386 I HA -0.095 4.077 4.170 0.003 0.000 0.285 386 I C 0.669 176.703 176.117 -0.137 0.000 1.161 386 I CA 1.096 62.306 61.300 -0.149 0.000 1.415 386 I CB -0.507 37.398 38.000 -0.158 0.000 1.385 386 I HN 0.464 nan 8.210 nan 0.000 0.552 387 D N 3.994 124.338 120.400 -0.093 0.000 2.981 387 D HA -0.240 4.402 4.640 0.003 0.000 0.203 387 D C 0.491 176.743 176.300 -0.079 0.000 1.049 387 D CA 0.999 54.950 54.000 -0.082 0.000 1.003 387 D CB -1.430 39.318 40.800 -0.088 0.000 1.085 387 D HN 0.864 nan 8.370 nan 0.000 0.432 388 N N -0.485 118.165 118.700 -0.082 0.000 2.708 388 N HA -0.292 4.450 4.740 0.003 0.000 0.251 388 N C -0.099 175.366 175.510 -0.075 0.000 1.123 388 N CA 1.848 54.857 53.050 -0.067 0.000 0.739 388 N CB -0.399 38.061 38.487 -0.044 0.000 1.113 388 N HN 0.743 nan 8.380 nan 0.000 0.561 389 R N -2.659 117.779 120.500 -0.103 0.000 2.710 389 R HA 0.645 4.987 4.340 0.003 0.000 0.270 389 R C -3.352 172.872 176.300 -0.127 0.000 1.021 389 R CA -1.835 54.208 56.100 -0.095 0.000 0.889 389 R CB 1.106 31.359 30.300 -0.078 0.000 1.243 389 R HN -0.253 nan 8.270 nan 0.000 0.464 390 P HA 0.145 nan 4.420 nan 0.000 0.270 390 P C -0.039 177.203 177.300 -0.097 0.000 1.223 390 P CA -0.601 62.421 63.100 -0.131 0.000 0.785 390 P CB 0.628 32.236 31.700 -0.153 0.000 0.923 391 R N 0.835 121.295 120.500 -0.067 0.000 2.161 391 R HA 0.235 4.577 4.340 0.003 0.000 0.213 391 R C 0.479 176.785 176.300 0.011 0.000 1.055 391 R CA 0.531 56.624 56.100 -0.010 0.000 0.996 391 R CB -0.676 29.660 30.300 0.061 0.000 0.901 391 R HN 0.492 nan 8.270 nan 0.000 0.456 392 L N -0.041 121.179 121.223 -0.005 0.000 2.592 392 L HA 0.469 4.810 4.340 0.003 0.000 0.258 392 L C -1.763 175.094 176.870 -0.021 0.000 0.926 392 L CA -0.479 54.371 54.840 0.017 0.000 0.885 392 L CB 1.861 43.961 42.059 0.067 0.000 1.380 392 L HN -0.151 nan 8.230 nan 0.000 0.415 393 I N 3.990 124.551 120.570 -0.015 0.000 2.447 393 I HA 0.457 4.629 4.170 0.003 0.000 0.287 393 I C -0.942 175.294 176.117 0.199 0.000 1.023 393 I CA -0.695 60.593 61.300 -0.020 0.000 1.083 393 I CB 2.020 39.919 38.000 -0.169 0.000 1.245 393 I HN 0.460 nan 8.210 nan 0.000 0.434 394 K N 5.907 126.442 120.400 0.226 0.000 2.345 394 K HA 0.509 4.831 4.320 0.003 0.000 0.255 394 K C -1.054 175.647 176.600 0.167 0.000 0.934 394 K CA -0.580 55.840 56.287 0.221 0.000 0.801 394 K CB 1.802 34.384 32.500 0.137 0.000 1.137 394 K HN 0.389 nan 8.250 nan 0.000 0.424 395 K N 1.819 122.290 120.400 0.118 0.000 2.095 395 K HA 0.249 4.571 4.320 0.003 0.000 0.252 395 K C -0.676 175.898 176.600 -0.045 0.000 0.977 395 K CA -0.336 55.935 56.287 -0.026 0.000 0.900 395 K CB 0.867 33.238 32.500 -0.216 0.000 1.060 395 K HN 0.752 nan 8.250 nan 0.000 0.449 396 D N -0.029 120.337 120.400 -0.056 0.000 2.837 396 D HA -0.169 4.473 4.640 0.003 0.000 0.230 396 D C -1.120 175.138 176.300 -0.070 0.000 1.152 396 D CA 0.758 54.727 54.000 -0.051 0.000 0.736 396 D CB -0.723 40.054 40.800 -0.038 0.000 1.084 396 D HN 0.129 nan 8.370 nan 0.000 0.429 397 V N 0.610 120.445 119.914 -0.132 0.000 2.969 397 V HA 0.370 4.491 4.120 0.003 0.000 0.304 397 V C -1.398 174.526 176.094 -0.283 0.000 1.192 397 V CA -0.852 61.301 62.300 -0.245 0.000 0.962 397 V CB 2.326 33.881 31.823 -0.447 0.000 1.045 397 V HN 0.008 nan 8.190 nan 0.000 0.428 398 N N 5.073 123.654 118.700 -0.198 0.000 2.621 398 N HA 0.370 5.111 4.740 0.003 0.000 0.237 398 N C -1.328 174.164 175.510 -0.030 0.000 0.997 398 N CA -0.246 52.751 53.050 -0.089 0.000 0.918 398 N CB 0.978 39.463 38.487 -0.003 0.000 1.122 398 N HN 0.533 nan 8.380 nan 0.000 0.510 399 Y N 0.840 121.150 120.300 0.017 0.000 2.359 399 Y HA 0.067 4.621 4.550 0.007 0.000 0.330 399 Y C 2.148 178.066 175.900 0.030 0.000 1.143 399 Y CA -0.349 57.751 58.100 -0.000 0.000 1.318 399 Y CB 0.761 39.218 38.460 -0.004 0.000 1.234 399 Y HN 0.425 nan 8.280 nan 0.000 0.522 400 T N -1.774 112.908 114.554 0.213 0.000 3.026 400 T HA 0.241 4.592 4.350 0.003 0.000 0.245 400 T C 0.292 175.052 174.700 0.100 0.000 1.004 400 T CA 0.021 62.203 62.100 0.138 0.000 1.069 400 T CB 0.547 69.491 68.868 0.127 0.000 1.005 400 T HN 0.434 nan 8.240 nan 0.000 0.472 401 Q N -0.028 119.823 119.800 0.083 0.000 2.495 401 Q HA 0.710 5.052 4.340 0.003 0.000 0.287 401 Q C -1.619 174.376 176.000 -0.009 0.000 1.078 401 Q CA -0.773 55.059 55.803 0.048 0.000 0.793 401 Q CB 3.281 32.068 28.738 0.082 0.000 1.459 401 Q HN 0.468 nan 8.270 nan 0.000 0.422 402 I N 0.486 121.038 120.570 -0.029 0.000 2.692 402 I HA 0.588 4.760 4.170 0.003 0.000 0.293 402 I C -1.480 174.532 176.117 -0.175 0.000 1.200 402 I CA -0.904 60.339 61.300 -0.096 0.000 1.036 402 I CB 2.017 39.962 38.000 -0.091 0.000 1.258 402 I HN 0.468 nan 8.210 nan 0.000 0.421 403 V N 4.666 124.371 119.914 -0.349 0.000 2.925 403 V HA 0.803 4.925 4.120 0.003 0.000 0.311 403 V C -1.355 174.224 176.094 -0.858 0.000 1.104 403 V CA -0.630 61.119 62.300 -0.917 0.000 0.954 403 V CB 1.623 33.108 31.823 -0.563 0.000 1.022 403 V HN 0.461 nan 8.190 nan 0.000 0.427 404 V N 2.166 121.215 119.914 -1.441 0.000 2.656 404 V HA 0.632 4.754 4.120 0.003 0.000 0.307 404 V C -1.181 174.756 176.094 -0.262 0.000 1.051 404 V CA -0.164 61.768 62.300 -0.614 0.000 0.893 404 V CB 1.805 33.236 31.823 -0.654 0.000 0.999 404 V HN 1.139 nan 8.190 nan 0.000 0.426 405 D N 2.717 123.126 120.400 0.014 0.000 2.492 405 D HA 0.383 5.024 4.640 0.003 0.000 0.248 405 D C -0.219 176.155 176.300 0.123 0.000 1.101 405 D CA -0.577 53.497 54.000 0.124 0.000 0.840 405 D CB 1.445 42.400 40.800 0.258 0.000 1.209 405 D HN 0.523 nan 8.370 nan 0.000 0.524 406 R N 3.146 123.707 120.500 0.101 0.000 2.205 406 R HA 0.429 4.771 4.340 0.003 0.000 0.342 406 R C -0.757 175.589 176.300 0.076 0.000 1.058 406 R CA -0.239 55.908 56.100 0.079 0.000 0.904 406 R CB 0.690 31.033 30.300 0.072 0.000 1.089 406 R HN 0.378 nan 8.270 nan 0.000 0.471 407 T N 2.260 116.852 114.554 0.063 0.000 2.932 407 T HA 0.221 4.573 4.350 0.003 0.000 0.289 407 T C -1.142 173.606 174.700 0.080 0.000 1.039 407 T CA -0.553 61.579 62.100 0.053 0.000 1.024 407 T CB 1.614 70.440 68.868 -0.071 0.000 1.090 407 T HN 0.654 nan 8.240 nan 0.000 0.496 408 Q N 1.831 121.711 119.800 0.133 0.000 2.325 408 Q HA 0.662 5.003 4.340 0.003 0.000 0.262 408 Q C -0.294 175.804 176.000 0.163 0.000 0.968 408 Q CA -0.845 55.040 55.803 0.137 0.000 0.877 408 Q CB 1.506 30.313 28.738 0.115 0.000 1.253 408 Q HN 0.885 nan 8.270 nan 0.000 0.448 409 A N 2.510 125.429 122.820 0.166 0.000 2.346 409 A HA 0.045 4.367 4.320 0.003 0.000 0.255 409 A C 0.774 178.395 177.584 0.061 0.000 1.113 409 A CA -0.290 51.816 52.037 0.116 0.000 0.798 409 A CB 0.155 19.298 19.000 0.238 0.000 1.073 409 A HN 0.905 nan 8.150 nan 0.000 0.502 410 L N 0.078 121.310 121.223 0.016 0.000 2.079 410 L HA -0.139 4.203 4.340 0.003 0.000 0.210 410 L C 1.792 178.678 176.870 0.027 0.000 1.081 410 L CA 2.745 57.589 54.840 0.006 0.000 0.752 410 L CB -0.640 41.415 42.059 -0.008 0.000 0.896 410 L HN 0.856 nan 8.230 nan 0.000 0.433 411 D N -1.728 118.694 120.400 0.036 0.000 2.349 411 D HA 0.101 4.743 4.640 0.003 0.000 0.224 411 D C 1.599 177.914 176.300 0.025 0.000 1.029 411 D CA 0.768 54.785 54.000 0.029 0.000 0.879 411 D CB -0.179 40.639 40.800 0.030 0.000 0.906 411 D HN 0.409 nan 8.370 nan 0.000 0.528 412 G N -0.462 108.359 108.800 0.034 0.000 2.213 412 G HA2 -0.263 3.699 3.960 0.003 0.000 0.236 412 G HA3 -0.263 3.699 3.960 0.003 0.000 0.236 412 G C 0.481 175.376 174.900 -0.008 0.000 0.991 412 G CA 0.230 45.342 45.100 0.020 0.000 0.629 412 G HN 0.461 nan 8.290 nan 0.000 0.517 413 T N 1.521 116.063 114.554 -0.020 0.000 2.928 413 T HA 0.434 4.786 4.350 0.003 0.000 0.305 413 T C 0.567 175.141 174.700 -0.210 0.000 1.035 413 T CA 0.284 62.297 62.100 -0.144 0.000 1.145 413 T CB 2.041 70.800 68.868 -0.181 0.000 0.963 413 T HN 0.509 nan 8.240 nan 0.000 0.545 414 V N 4.481 124.219 119.914 -0.292 0.000 2.439 414 V HA 0.404 4.526 4.120 0.003 0.000 0.282 414 V C -0.788 175.064 176.094 -0.403 0.000 1.039 414 V CA -0.695 61.478 62.300 -0.211 0.000 0.913 414 V CB 0.518 32.280 31.823 -0.101 0.000 0.983 414 V HN 0.755 nan 8.190 nan 0.000 0.460 415 Y N 1.321 121.600 120.300 -0.035 0.000 2.409 415 Y HA 0.474 5.026 4.550 0.002 0.000 0.343 415 Y C -0.043 175.834 175.900 -0.038 0.000 0.973 415 Y CA -1.086 56.989 58.100 -0.042 0.000 1.064 415 Y CB 1.672 40.080 38.460 -0.085 0.000 1.207 415 Y HN 0.521 nan 8.280 nan 0.000 0.452 416 D N 2.568 123.044 120.400 0.127 0.000 2.428 416 D HA 0.270 4.911 4.640 0.003 0.000 0.221 416 D C -0.809 175.489 176.300 -0.004 0.000 1.123 416 D CA -0.051 53.979 54.000 0.050 0.000 0.869 416 D CB 1.264 42.115 40.800 0.085 0.000 1.032 416 D HN 0.160 nan 8.370 nan 0.000 0.506 417 V N 4.065 123.968 119.914 -0.019 0.000 2.408 417 V HA 0.199 4.321 4.120 0.003 0.000 0.267 417 V C 0.729 176.709 176.094 -0.189 0.000 1.047 417 V CA -0.310 61.925 62.300 -0.109 0.000 0.937 417 V CB 0.655 32.444 31.823 -0.056 0.000 0.999 417 V HN 0.383 nan 8.190 nan 0.000 0.472 418 M N 6.055 125.489 119.600 -0.276 0.000 2.108 418 M HA 0.459 4.941 4.480 0.003 0.000 0.354 418 M C -0.985 175.114 176.300 -0.335 0.000 1.229 418 M CA 0.154 55.291 55.300 -0.272 0.000 1.081 418 M CB 0.618 33.092 32.600 -0.209 0.000 1.606 418 M HN 0.441 nan 8.290 nan 0.000 0.467 419 F N 3.654 123.473 119.950 -0.217 0.000 2.361 419 F HA 0.494 5.023 4.527 0.003 0.000 0.364 419 F C 0.002 175.683 175.800 -0.198 0.000 1.117 419 F CA -0.947 56.960 58.000 -0.156 0.000 1.071 419 F CB 1.019 39.930 39.000 -0.149 0.000 1.188 419 F HN 0.288 nan 8.300 nan 0.000 0.464 420 V N 0.849 120.701 119.914 -0.104 0.000 2.540 420 V HA 0.768 4.890 4.120 0.003 0.000 0.302 420 V C -0.189 175.818 176.094 -0.145 0.000 1.035 420 V CA -0.858 61.277 62.300 -0.275 0.000 0.873 420 V CB 1.106 32.432 31.823 -0.828 0.000 0.992 420 V HN 0.657 nan 8.190 nan 0.000 0.428 421 S N 3.134 118.829 115.700 -0.008 0.000 2.672 421 S HA 0.832 5.304 4.470 0.003 0.000 0.276 421 S C 0.216 174.928 174.600 0.187 0.000 1.207 421 S CA 0.075 58.344 58.200 0.117 0.000 1.002 421 S CB 1.605 64.899 63.200 0.157 0.000 0.998 421 S HN 1.630 nan 8.310 nan 0.000 0.542 422 T N -1.911 112.759 114.554 0.193 0.000 2.940 422 T HA 0.422 4.774 4.350 0.003 0.000 0.288 422 T C 0.255 175.048 174.700 0.156 0.000 1.045 422 T CA -0.439 61.766 62.100 0.175 0.000 1.018 422 T CB 1.213 70.140 68.868 0.098 0.000 1.151 422 T HN 0.664 nan 8.240 nan 0.000 0.529 423 D N -0.202 120.268 120.400 0.117 0.000 2.371 423 D HA -0.033 4.609 4.640 0.003 0.000 0.234 423 D C 1.026 177.399 176.300 0.122 0.000 1.049 423 D CA 0.083 54.146 54.000 0.105 0.000 0.907 423 D CB -0.006 40.839 40.800 0.075 0.000 0.891 423 D HN 0.391 nan 8.370 nan 0.000 0.531 424 R N -0.466 120.133 120.500 0.164 0.000 2.577 424 R HA 0.307 4.648 4.340 0.003 0.000 0.344 424 R C 0.980 177.481 176.300 0.335 0.000 1.037 424 R CA 0.333 56.577 56.100 0.240 0.000 1.102 424 R CB 0.496 30.927 30.300 0.219 0.000 1.313 424 R HN 0.279 nan 8.270 nan 0.000 0.561 425 G N 0.846 109.817 108.800 0.285 0.000 2.137 425 G HA2 -0.282 3.680 3.960 0.003 0.000 0.237 425 G HA3 -0.282 3.680 3.960 0.003 0.000 0.237 425 G C 0.106 175.203 174.900 0.329 0.000 1.002 425 G CA 0.343 45.670 45.100 0.378 0.000 0.702 425 G HN 0.527 nan 8.290 nan 0.000 0.515 426 A N -1.075 121.913 122.820 0.281 0.000 2.288 426 A HA 0.972 5.293 4.320 0.003 0.000 0.328 426 A C -0.529 177.218 177.584 0.273 0.000 1.123 426 A CA -0.568 51.632 52.037 0.271 0.000 0.861 426 A CB 1.830 21.017 19.000 0.312 0.000 1.272 426 A HN 1.426 nan 8.150 nan 0.000 0.490 427 L N 0.405 121.818 121.223 0.316 0.000 2.386 427 L HA 0.521 4.863 4.340 0.003 0.000 0.271 427 L C -0.823 176.312 176.870 0.443 0.000 0.993 427 L CA 0.021 55.048 54.840 0.311 0.000 0.819 427 L CB 1.679 43.899 42.059 0.268 0.000 1.294 427 L HN 0.824 nan 8.230 nan 0.000 0.414 428 H N 3.281 122.424 119.070 0.121 0.000 2.524 428 H HA 0.419 4.977 4.556 0.003 0.000 0.353 428 H C -1.069 174.218 175.328 -0.067 0.000 1.136 428 H CA -1.057 55.028 56.048 0.060 0.000 1.193 428 H CB 2.367 32.184 29.762 0.092 0.000 1.558 428 H HN 0.402 nan 8.280 nan 0.000 0.515 429 K N 2.201 122.576 120.400 -0.043 0.000 2.394 429 K HA 0.612 4.934 4.320 0.003 0.000 0.260 429 K C -1.578 174.861 176.600 -0.268 0.000 0.967 429 K CA -0.537 55.562 56.287 -0.313 0.000 0.855 429 K CB 1.115 33.437 32.500 -0.296 0.000 1.101 429 K HN 0.676 nan 8.250 nan 0.000 0.433 430 A N 4.546 127.196 122.820 -0.283 0.000 2.454 430 A HA 0.807 5.129 4.320 0.003 0.000 0.302 430 A C -0.891 176.600 177.584 -0.154 0.000 1.079 430 A CA -0.926 50.997 52.037 -0.191 0.000 0.731 430 A CB 0.710 19.655 19.000 -0.092 0.000 1.299 430 A HN 0.800 nan 8.150 nan 0.000 0.413 431 I N -2.011 118.509 120.570 -0.082 0.000 3.074 431 I HA 0.693 4.865 4.170 0.003 0.000 0.310 431 I C -0.377 175.789 176.117 0.082 0.000 1.153 431 I CA -0.786 60.517 61.300 0.004 0.000 0.993 431 I CB 2.275 40.267 38.000 -0.013 0.000 1.237 431 I HN 0.304 nan 8.210 nan 0.000 0.443 432 S N 3.064 118.848 115.700 0.139 0.000 2.430 432 S HA 0.623 5.095 4.470 0.003 0.000 0.289 432 S C -0.670 174.043 174.600 0.188 0.000 1.143 432 S CA -0.336 57.950 58.200 0.142 0.000 1.067 432 S CB 0.557 63.835 63.200 0.130 0.000 0.964 432 S HN 0.454 nan 8.310 nan 0.000 0.485 433 L N 4.170 125.479 121.223 0.143 0.000 2.415 433 L HA 0.443 4.785 4.340 0.003 0.000 0.268 433 L C -0.409 176.477 176.870 0.027 0.000 0.984 433 L CA -0.013 54.900 54.840 0.121 0.000 0.853 433 L CB 0.576 42.676 42.059 0.069 0.000 1.215 433 L HN 0.743 nan 8.230 nan 0.000 0.419 434 E N 5.613 125.799 120.200 -0.024 0.000 2.291 434 E HA -0.234 4.118 4.350 0.003 0.000 0.181 434 E C -0.692 175.735 176.600 -0.289 0.000 1.480 434 E CA 0.828 57.059 56.400 -0.282 0.000 0.674 434 E CB -1.237 28.308 29.700 -0.258 0.000 1.108 434 E HN 0.782 nan 8.360 nan 0.000 0.357 435 H N -3.452 115.627 119.070 0.015 0.000 2.592 435 H HA -0.052 4.505 4.556 0.002 0.000 0.323 435 H C 0.035 175.370 175.328 0.011 0.000 1.117 435 H CA 1.176 57.229 56.048 0.007 0.000 1.120 435 H CB -1.946 27.815 29.762 -0.002 0.000 1.561 435 H HN 0.948 nan 8.280 nan 0.000 0.409 436 A N -1.108 121.777 122.820 0.110 0.000 2.550 436 A HA 0.542 4.863 4.320 0.003 0.000 0.295 436 A C -0.902 176.731 177.584 0.082 0.000 1.001 436 A CA -0.272 51.809 52.037 0.074 0.000 0.660 436 A CB 0.922 19.950 19.000 0.046 0.000 1.308 436 A HN 0.226 nan 8.150 nan 0.000 0.426 437 V N 1.915 121.878 119.914 0.081 0.000 2.439 437 V HA 0.524 4.646 4.120 0.003 0.000 0.282 437 V C -0.277 175.892 176.094 0.124 0.000 1.039 437 V CA -0.143 62.211 62.300 0.091 0.000 0.913 437 V CB 1.378 33.247 31.823 0.076 0.000 0.983 437 V HN 0.993 nan 8.190 nan 0.000 0.460 438 H N 5.153 124.222 119.070 -0.001 0.000 2.685 438 H HA 0.496 5.054 4.556 0.003 0.000 0.307 438 H C -0.587 174.721 175.328 -0.035 0.000 1.017 438 H CA -0.781 55.252 56.048 -0.026 0.000 1.237 438 H CB 0.764 30.495 29.762 -0.052 0.000 1.409 438 H HN 0.556 nan 8.280 nan 0.000 0.488 439 I N 7.852 128.244 120.570 -0.297 0.000 2.294 439 I HA 0.031 4.203 4.170 0.003 0.000 0.295 439 I C 1.154 176.950 176.117 -0.535 0.000 1.098 439 I CA -0.107 61.002 61.300 -0.318 0.000 1.277 439 I CB 0.556 38.470 38.000 -0.143 0.000 1.434 439 I HN 0.722 nan 8.210 nan 0.000 0.498 440 I N 4.920 125.128 120.570 -0.605 0.000 2.118 440 I HA -0.235 3.937 4.170 0.003 0.000 0.241 440 I C 1.201 177.201 176.117 -0.194 0.000 1.070 440 I CA 1.585 62.620 61.300 -0.442 0.000 1.327 440 I CB -0.118 37.765 38.000 -0.195 0.000 1.034 440 I HN 0.723 nan 8.210 nan 0.000 0.405 441 E N 0.741 120.859 120.200 -0.137 0.000 2.439 441 E HA 0.381 4.733 4.350 0.003 0.000 0.279 441 E C -1.481 175.058 176.600 -0.102 0.000 1.077 441 E CA -0.911 55.420 56.400 -0.114 0.000 0.849 441 E CB 1.481 31.238 29.700 0.095 0.000 1.408 441 E HN 0.268 nan 8.360 nan 0.000 0.457 442 E N 0.551 120.692 120.200 -0.100 0.000 2.292 442 E HA 0.591 4.942 4.350 0.003 0.000 0.272 442 E C -1.320 175.367 176.600 0.146 0.000 0.881 442 E CA -0.932 55.461 56.400 -0.012 0.000 0.754 442 E CB 2.165 31.746 29.700 -0.199 0.000 1.201 442 E HN 0.413 nan 8.360 nan 0.000 0.425 443 T N 1.936 116.639 114.554 0.249 0.000 2.861 443 T HA 0.199 4.551 4.350 0.003 0.000 0.287 443 T C -0.767 174.045 174.700 0.186 0.000 1.003 443 T CA -0.768 61.463 62.100 0.219 0.000 0.977 443 T CB 1.550 70.554 68.868 0.227 0.000 0.996 443 T HN 0.445 nan 8.240 nan 0.000 0.448 444 Q N 2.972 122.857 119.800 0.142 0.000 2.423 444 Q HA 0.329 4.671 4.340 0.003 0.000 0.235 444 Q C 0.697 176.757 176.000 0.100 0.000 1.100 444 Q CA -0.201 55.671 55.803 0.116 0.000 0.908 444 Q CB -0.278 28.498 28.738 0.064 0.000 1.312 444 Q HN 0.693 nan 8.270 nan 0.000 0.497 445 L N 2.474 123.724 121.223 0.045 0.000 2.056 445 L HA 0.026 4.367 4.340 0.003 0.000 0.207 445 L C 0.090 176.701 176.870 -0.431 0.000 1.078 445 L CA 0.760 55.505 54.840 -0.157 0.000 0.749 445 L CB -0.061 41.827 42.059 -0.284 0.000 0.901 445 L HN 0.487 nan 8.230 nan 0.000 0.433 446 F N -0.150 119.763 119.950 -0.061 0.000 2.402 446 F HA 0.219 4.747 4.527 0.002 0.000 0.355 446 F C 1.144 176.690 175.800 -0.424 0.000 1.123 446 F CA -0.809 57.066 58.000 -0.208 0.000 1.021 446 F CB 1.318 40.267 39.000 -0.086 0.000 1.160 446 F HN -0.098 nan 8.300 nan 0.000 0.451 447 Q N 0.532 120.033 119.800 -0.498 0.000 2.291 447 Q HA -0.153 4.189 4.340 0.003 0.000 0.205 447 Q C 1.059 176.762 176.000 -0.495 0.000 0.970 447 Q CA 1.357 56.801 55.803 -0.598 0.000 0.876 447 Q CB -0.173 28.229 28.738 -0.560 0.000 0.935 447 Q HN 0.639 nan 8.270 nan 0.000 0.455 448 D N -0.294 119.976 120.400 -0.216 0.000 2.349 448 D HA -0.119 4.523 4.640 0.003 0.000 0.224 448 D C -0.262 176.110 176.300 0.120 0.000 1.029 448 D CA -0.215 53.762 54.000 -0.038 0.000 0.879 448 D CB -0.283 40.525 40.800 0.014 0.000 0.906 448 D HN 0.208 nan 8.370 nan 0.000 0.528 449 F N -0.533 119.462 119.950 0.076 0.000 3.034 449 F HA -0.224 4.305 4.527 0.004 0.000 0.286 449 F C 0.427 176.261 175.800 0.058 0.000 0.804 449 F CA 0.281 58.330 58.000 0.081 0.000 1.161 449 F CB -2.266 36.765 39.000 0.053 0.000 1.317 449 F HN 0.020 nan 8.300 nan 0.000 0.453 450 E N 1.738 122.020 120.200 0.138 0.000 2.360 450 E HA 0.262 4.614 4.350 0.003 0.000 0.269 450 E C -2.176 174.419 176.600 -0.008 0.000 1.022 450 E CA -1.699 54.703 56.400 0.003 0.000 0.887 450 E CB 0.610 30.206 29.700 -0.173 0.000 0.990 450 E HN -0.125 nan 8.360 nan 0.000 0.426 451 P HA -0.035 nan 4.420 nan 0.000 0.268 451 P C -0.998 176.310 177.300 0.014 0.000 1.205 451 P CA -0.112 63.021 63.100 0.055 0.000 0.771 451 P CB 0.595 32.332 31.700 0.061 0.000 0.858 452 V N 4.554 124.532 119.914 0.108 0.000 2.427 452 V HA 0.018 4.139 4.120 0.003 0.000 0.268 452 V C 1.503 177.673 176.094 0.126 0.000 1.046 452 V CA 0.640 63.030 62.300 0.150 0.000 0.970 452 V CB 0.358 32.339 31.823 0.263 0.000 1.001 452 V HN 0.596 nan 8.190 nan 0.000 0.476 453 Q N 2.206 122.074 119.800 0.115 0.000 2.204 453 Q HA 0.077 4.419 4.340 0.003 0.000 0.198 453 Q C 0.943 177.035 176.000 0.153 0.000 0.946 453 Q CA 0.762 56.642 55.803 0.129 0.000 0.859 453 Q CB 0.551 29.370 28.738 0.136 0.000 0.946 453 Q HN 0.758 nan 8.270 nan 0.000 0.474 454 T N -0.324 114.340 114.554 0.183 0.000 2.912 454 T HA 0.555 4.907 4.350 0.003 0.000 0.299 454 T C -2.037 172.785 174.700 0.202 0.000 1.052 454 T CA -0.616 61.600 62.100 0.193 0.000 0.996 454 T CB 1.182 70.180 68.868 0.216 0.000 1.070 454 T HN -0.041 nan 8.240 nan 0.000 0.465 455 L N 4.352 125.684 121.223 0.181 0.000 2.410 455 L HA 0.863 5.205 4.340 0.003 0.000 0.270 455 L C -1.628 175.346 176.870 0.174 0.000 0.983 455 L CA -0.717 54.220 54.840 0.162 0.000 0.822 455 L CB 1.764 43.887 42.059 0.107 0.000 1.285 455 L HN 0.704 nan 8.230 nan 0.000 0.409 456 L N 4.307 125.646 121.223 0.194 0.000 2.408 456 L HA 0.699 5.041 4.340 0.003 0.000 0.268 456 L C -1.651 175.336 176.870 0.194 0.000 0.986 456 L CA -0.464 54.513 54.840 0.229 0.000 0.820 456 L CB 1.992 44.209 42.059 0.264 0.000 1.303 456 L HN 0.610 nan 8.230 nan 0.000 0.411 457 L N 3.897 125.215 121.223 0.158 0.000 2.305 457 L HA 0.639 4.981 4.340 0.003 0.000 0.284 457 L C -0.205 176.748 176.870 0.138 0.000 1.013 457 L CA -0.009 54.857 54.840 0.044 0.000 0.819 457 L CB 1.715 43.733 42.059 -0.068 0.000 1.227 457 L HN 0.735 nan 8.230 nan 0.000 0.417 458 S N 2.765 118.553 115.700 0.147 0.000 2.564 458 S HA 0.391 4.863 4.470 0.003 0.000 0.278 458 S C 0.242 174.889 174.600 0.078 0.000 1.333 458 S CA -0.154 58.157 58.200 0.185 0.000 1.048 458 S CB 0.793 64.171 63.200 0.296 0.000 0.900 458 S HN 0.946 nan 8.310 nan 0.000 0.505 459 S N 3.502 119.251 115.700 0.081 0.000 2.505 459 S HA 0.174 4.645 4.470 0.003 0.000 0.276 459 S C 0.051 174.660 174.600 0.016 0.000 1.274 459 S CA -0.896 57.334 58.200 0.050 0.000 1.053 459 S CB -0.224 63.009 63.200 0.055 0.000 0.919 459 S HN 0.720 nan 8.310 nan 0.000 0.490 460 K N 3.665 124.061 120.400 -0.006 0.000 2.427 460 K HA -0.111 4.211 4.320 0.003 0.000 0.262 460 K C -0.036 176.547 176.600 -0.029 0.000 1.094 460 K CA 0.637 56.904 56.287 -0.034 0.000 1.184 460 K CB -0.149 32.331 32.500 -0.034 0.000 0.796 460 K HN 0.620 nan 8.250 nan 0.000 0.491 461 K N 2.004 122.377 120.400 -0.045 0.000 3.461 461 K HA 0.101 4.423 4.320 0.003 0.000 0.173 461 K C 0.526 177.098 176.600 -0.046 0.000 1.017 461 K CA 0.452 56.722 56.287 -0.028 0.000 0.848 461 K CB 1.119 33.618 32.500 -0.002 0.000 0.733 461 K HN 0.981 nan 8.250 nan 0.000 0.475 462 G N 1.922 110.683 108.800 -0.064 0.000 3.226 462 G HA2 -0.288 3.674 3.960 0.003 0.000 0.270 462 G HA3 -0.288 3.674 3.960 0.003 0.000 0.270 462 G C -0.188 174.630 174.900 -0.137 0.000 1.592 462 G CA -0.387 44.670 45.100 -0.071 0.000 1.055 462 G HN 0.404 nan 8.290 nan 0.000 0.582 463 N N 2.297 120.888 118.700 -0.182 0.000 2.430 463 N HA 0.477 5.219 4.740 0.003 0.000 0.265 463 N C 0.366 175.483 175.510 -0.655 0.000 1.100 463 N CA -0.197 52.617 53.050 -0.392 0.000 0.961 463 N CB 0.408 38.714 38.487 -0.302 0.000 1.075 463 N HN 0.479 nan 8.380 nan 0.000 0.478 464 R N 2.118 122.147 120.500 -0.784 0.000 2.720 464 R HA 0.611 4.952 4.340 0.003 0.000 0.272 464 R C -0.971 174.635 176.300 -1.157 0.000 0.991 464 R CA -0.558 55.106 56.100 -0.726 0.000 1.010 464 R CB 1.250 31.322 30.300 -0.379 0.000 1.141 464 R HN 0.326 nan 8.270 nan 0.000 0.494 465 F N -0.945 118.816 119.950 -0.315 0.000 2.692 465 F HA 0.516 5.044 4.527 0.002 0.000 0.320 465 F C -0.578 174.844 175.800 -0.631 0.000 1.123 465 F CA -1.124 56.565 58.000 -0.519 0.000 0.961 465 F CB 1.685 40.296 39.000 -0.648 0.000 1.383 465 F HN 0.057 nan 8.300 nan 0.000 0.483 466 V N 1.270 120.881 119.914 -0.505 0.000 2.588 466 V HA 0.481 4.603 4.120 0.003 0.000 0.304 466 V C -1.526 174.264 176.094 -0.507 0.000 1.042 466 V CA -0.897 61.125 62.300 -0.463 0.000 0.877 466 V CB 1.859 33.413 31.823 -0.448 0.000 0.996 466 V HN 0.563 nan 8.190 nan 0.000 0.425 467 Y N 2.901 123.196 120.300 -0.010 0.000 2.352 467 Y HA 0.797 5.348 4.550 0.002 0.000 0.339 467 Y C 0.350 176.296 175.900 0.077 0.000 0.992 467 Y CA -0.746 57.367 58.100 0.022 0.000 1.100 467 Y CB 1.972 40.449 38.460 0.029 0.000 1.192 467 Y HN 0.671 nan 8.280 nan 0.000 0.458 468 A N 1.830 124.799 122.820 0.249 0.000 2.343 468 A HA 0.838 5.160 4.320 0.003 0.000 0.316 468 A C -0.143 177.711 177.584 0.450 0.000 1.104 468 A CA -0.475 51.752 52.037 0.315 0.000 0.768 468 A CB 0.730 19.917 19.000 0.311 0.000 1.213 468 A HN 0.905 nan 8.150 nan 0.000 0.456 469 G N 0.720 109.750 108.800 0.384 0.000 2.452 469 G HA2 0.640 4.602 3.960 0.003 0.000 0.324 469 G HA3 0.640 4.602 3.960 0.003 0.000 0.324 469 G C -0.184 174.823 174.900 0.178 0.000 1.214 469 G CA 0.223 45.529 45.100 0.343 0.000 0.947 469 G HN 1.557 nan 8.290 nan 0.000 0.478 470 S N 0.035 115.732 115.700 -0.004 0.000 2.794 470 S HA 0.342 4.814 4.470 0.003 0.000 0.299 470 S C 0.736 175.361 174.600 0.042 0.000 1.179 470 S CA -0.817 57.256 58.200 -0.212 0.000 0.838 470 S CB 1.187 63.810 63.200 -0.961 0.000 1.206 470 S HN 0.476 nan 8.310 nan 0.000 0.523 471 N N 0.869 119.584 118.700 0.025 0.000 2.166 471 N HA -0.124 4.618 4.740 0.003 0.000 0.186 471 N C 1.746 177.453 175.510 0.329 0.000 1.019 471 N CA 1.443 54.598 53.050 0.175 0.000 0.856 471 N CB -0.155 38.387 38.487 0.093 0.000 0.993 471 N HN 0.719 nan 8.380 nan 0.000 0.426 472 S N -0.914 114.875 115.700 0.149 0.000 2.501 472 S HA 0.313 4.785 4.470 0.003 0.000 0.220 472 S C 0.773 175.439 174.600 0.110 0.000 0.997 472 S CA 0.317 58.638 58.200 0.201 0.000 0.919 472 S CB 0.714 63.944 63.200 0.050 0.000 0.778 472 S HN 0.389 nan 8.310 nan 0.000 0.523 473 G N -0.278 108.509 108.800 -0.022 0.000 2.333 473 G HA2 0.393 4.355 3.960 0.003 0.000 0.288 473 G HA3 0.393 4.355 3.960 0.003 0.000 0.288 473 G C -1.945 172.904 174.900 -0.085 0.000 1.286 473 G CA -0.283 44.528 45.100 -0.480 0.000 0.865 473 G HN 0.454 nan 8.290 nan 0.000 0.506 474 V N -0.167 119.718 119.914 -0.048 0.000 2.604 474 V HA 0.743 4.865 4.120 0.003 0.000 0.305 474 V C -0.130 176.058 176.094 0.157 0.000 1.043 474 V CA -0.676 61.742 62.300 0.197 0.000 0.888 474 V CB 1.490 33.410 31.823 0.163 0.000 0.995 474 V HN 0.741 nan 8.190 nan 0.000 0.429 475 V N 3.928 123.903 119.914 0.101 0.000 2.769 475 V HA 0.536 4.658 4.120 0.003 0.000 0.312 475 V C -0.416 175.658 176.094 -0.033 0.000 1.061 475 V CA -0.592 61.643 62.300 -0.108 0.000 0.931 475 V CB 1.931 33.468 31.823 -0.476 0.000 1.010 475 V HN 0.930 nan 8.190 nan 0.000 0.433 476 Q N 2.278 122.020 119.800 -0.097 0.000 2.330 476 Q HA 0.787 5.128 4.340 0.003 0.000 0.269 476 Q C -1.086 174.781 176.000 -0.221 0.000 1.022 476 Q CA -0.554 55.129 55.803 -0.200 0.000 0.796 476 Q CB 2.002 30.608 28.738 -0.221 0.000 1.271 476 Q HN 0.948 nan 8.270 nan 0.000 0.450 477 A N 4.897 127.581 122.820 -0.226 0.000 2.475 477 A HA 0.821 5.143 4.320 0.003 0.000 0.301 477 A C -2.769 174.737 177.584 -0.130 0.000 1.059 477 A CA -1.486 50.476 52.037 -0.125 0.000 0.710 477 A CB 1.760 20.740 19.000 -0.034 0.000 1.288 477 A HN 0.637 nan 8.150 nan 0.000 0.408 478 P HA 0.293 nan 4.420 nan 0.000 0.276 478 P C 0.492 177.462 177.300 -0.550 0.000 1.261 478 P CA -0.442 62.463 63.100 -0.325 0.000 0.800 478 P CB 0.802 32.265 31.700 -0.396 0.000 1.066 479 L N -0.770 120.093 121.223 -0.601 0.000 2.465 479 L HA 0.113 4.455 4.340 0.003 0.000 0.224 479 L C 1.214 177.748 176.870 -0.560 0.000 1.145 479 L CA 0.978 55.464 54.840 -0.590 0.000 0.834 479 L CB -0.500 41.051 42.059 -0.846 0.000 0.944 479 L HN 0.475 nan 8.230 nan 0.000 0.451 480 A N -1.345 121.082 122.820 -0.654 0.000 2.612 480 A HA 0.629 4.951 4.320 0.003 0.000 0.293 480 A C -1.264 175.907 177.584 -0.687 0.000 1.075 480 A CA -0.504 51.255 52.037 -0.462 0.000 0.680 480 A CB 0.645 19.539 19.000 -0.176 0.000 1.279 480 A HN 0.032 nan 8.150 nan 0.000 0.411 481 F N 1.020 120.873 119.950 -0.162 0.000 2.893 481 F HA 0.230 4.758 4.527 0.002 0.000 0.340 481 F C 1.378 177.003 175.800 -0.291 0.000 1.300 481 F CA -0.460 57.328 58.000 -0.352 0.000 1.227 481 F CB 0.220 38.746 39.000 -0.789 0.000 1.044 481 F HN 0.599 nan 8.300 nan 0.000 0.512 482 c N 0.350 118.950 118.600 -0.001 0.000 2.392 482 c HA -0.250 4.322 4.570 0.003 0.000 0.276 482 c C 3.036 177.152 174.090 0.045 0.000 1.212 482 c CA 1.874 58.268 56.329 0.108 0.000 1.791 482 c CB -1.337 41.233 42.510 0.101 0.000 2.063 482 c HN 0.850 nan 8.230 nan 0.000 0.481 483 G N 0.083 108.861 108.800 -0.036 0.000 2.498 483 G HA2 -0.166 3.795 3.960 0.003 0.000 0.219 483 G HA3 -0.166 3.795 3.960 0.003 0.000 0.219 483 G C 1.602 176.470 174.900 -0.054 0.000 1.119 483 G CA 0.529 45.606 45.100 -0.038 0.000 0.766 483 G HN 0.521 nan 8.290 nan 0.000 0.552 484 K N 0.500 120.796 120.400 -0.173 0.000 2.418 484 K HA 0.025 4.347 4.320 0.003 0.000 0.195 484 K C 0.068 176.676 176.600 0.013 0.000 1.035 484 K CA 0.080 56.260 56.287 -0.179 0.000 1.003 484 K CB 0.002 32.163 32.500 -0.567 0.000 0.793 484 K HN 0.350 nan 8.250 nan 0.000 0.494 485 H N 0.171 119.388 119.070 0.244 0.000 2.864 485 H HA 0.116 4.673 4.556 0.002 0.000 0.281 485 H C 1.426 176.909 175.328 0.257 0.000 1.093 485 H CA -0.035 56.169 56.048 0.259 0.000 1.453 485 H CB 0.878 30.798 29.762 0.263 0.000 1.462 485 H HN 0.179 nan 8.280 nan 0.000 0.480 486 G N 3.118 112.097 108.800 0.299 0.000 2.422 486 G HA2 -0.138 3.824 3.960 0.003 0.000 0.218 486 G HA3 -0.138 3.824 3.960 0.003 0.000 0.218 486 G C 0.726 175.785 174.900 0.266 0.000 1.140 486 G CA 0.888 46.139 45.100 0.250 0.000 0.775 486 G HN 0.623 nan 8.290 nan 0.000 0.545 487 T N -4.391 110.208 114.554 0.075 0.000 2.930 487 T HA 0.295 4.647 4.350 0.003 0.000 0.290 487 T C 1.090 175.336 174.700 -0.758 0.000 1.052 487 T CA -0.104 61.797 62.100 -0.332 0.000 1.017 487 T CB 1.328 70.047 68.868 -0.249 0.000 1.137 487 T HN 0.017 nan 8.240 nan 0.000 0.511 488 c N 0.566 118.246 118.600 -1.533 0.000 2.425 488 c HA -0.033 4.539 4.570 0.003 0.000 0.277 488 c C 2.408 176.179 174.090 -0.531 0.000 1.280 488 c CA 1.369 56.872 56.329 -1.377 0.000 1.744 488 c CB -1.538 40.037 42.510 -1.559 0.000 1.989 488 c HN 1.051 nan 8.230 nan 0.000 0.491 489 E N 0.350 120.301 120.200 -0.416 0.000 2.051 489 E HA -0.188 4.163 4.350 0.003 0.000 0.192 489 E C 1.798 178.284 176.600 -0.190 0.000 0.991 489 E CA 1.715 57.969 56.400 -0.243 0.000 0.799 489 E CB -0.141 29.442 29.700 -0.194 0.000 0.748 489 E HN 0.644 nan 8.360 nan 0.000 0.449 490 D N 0.157 120.459 120.400 -0.164 0.000 2.097 490 D HA -0.174 4.467 4.640 0.003 0.000 0.195 490 D C 2.032 178.194 176.300 -0.230 0.000 0.989 490 D CA 0.787 54.722 54.000 -0.109 0.000 0.827 490 D CB -0.665 40.160 40.800 0.042 0.000 0.966 490 D HN 0.207 nan 8.370 nan 0.000 0.456 491 c N 0.432 118.949 118.600 -0.139 0.000 2.413 491 c HA -0.120 4.452 4.570 0.003 0.000 0.276 491 c C 2.855 176.862 174.090 -0.138 0.000 1.236 491 c CA 0.682 56.947 56.329 -0.107 0.000 1.735 491 c CB -0.872 41.792 42.510 0.256 0.000 2.031 491 c HN 0.117 nan 8.230 nan 0.000 0.474 492 V N 0.584 120.430 119.914 -0.114 0.000 2.453 492 V HA -0.130 3.992 4.120 0.003 0.000 0.247 492 V C 2.370 178.387 176.094 -0.129 0.000 1.048 492 V CA 1.797 64.037 62.300 -0.100 0.000 1.049 492 V CB -0.616 31.149 31.823 -0.098 0.000 0.672 492 V HN 0.569 nan 8.190 nan 0.000 0.457 493 L N 0.275 121.408 121.223 -0.150 0.000 2.191 493 L HA -0.145 4.197 4.340 0.003 0.000 0.212 493 L C 2.641 179.430 176.870 -0.135 0.000 1.103 493 L CA 1.317 56.071 54.840 -0.144 0.000 0.769 493 L CB -0.631 41.347 42.059 -0.136 0.000 0.908 493 L HN 0.371 nan 8.230 nan 0.000 0.438 494 A N -0.346 122.375 122.820 -0.165 0.000 2.019 494 A HA -0.191 4.131 4.320 0.003 0.000 0.219 494 A C 1.366 178.979 177.584 0.049 0.000 1.164 494 A CA 0.712 52.697 52.037 -0.087 0.000 0.644 494 A CB -0.348 18.496 19.000 -0.260 0.000 0.805 494 A HN 0.461 nan 8.150 nan 0.000 0.449 495 R N -0.507 119.960 120.500 -0.055 0.000 3.251 495 R HA -0.167 4.175 4.340 0.003 0.000 0.249 495 R C -0.982 175.321 176.300 0.004 0.000 0.949 495 R CA 0.838 56.887 56.100 -0.085 0.000 0.645 495 R CB -1.642 28.487 30.300 -0.285 0.000 1.065 495 R HN 0.606 nan 8.270 nan 0.000 0.452 496 D N -0.045 120.354 120.400 -0.002 0.000 2.349 496 D HA 0.187 4.829 4.640 0.003 0.000 0.232 496 D C -1.336 174.912 176.300 -0.086 0.000 1.071 496 D CA -2.539 51.469 54.000 0.012 0.000 0.832 496 D CB 1.344 42.242 40.800 0.164 0.000 1.086 496 D HN -0.057 nan 8.370 nan 0.000 0.504 497 P HA -0.129 nan 4.420 nan 0.000 0.225 497 P C 0.695 177.837 177.300 -0.262 0.000 1.148 497 P CA 0.853 63.749 63.100 -0.339 0.000 0.779 497 P CB 0.087 31.476 31.700 -0.518 0.000 0.780 498 Y N -0.731 119.554 120.300 -0.026 0.000 2.490 498 Y HA 0.054 4.606 4.550 0.002 0.000 0.285 498 Y C 1.645 177.526 175.900 -0.031 0.000 1.117 498 Y CA -0.099 57.990 58.100 -0.019 0.000 1.262 498 Y CB -0.555 37.909 38.460 0.006 0.000 1.043 498 Y HN -0.053 nan 8.280 nan 0.000 0.553 499 c N 0.654 119.341 118.600 0.144 0.000 2.376 499 c HA 0.901 5.473 4.570 0.003 0.000 0.335 499 c C 0.423 174.559 174.090 0.076 0.000 1.229 499 c CA -1.080 55.325 56.329 0.127 0.000 1.867 499 c CB 0.246 42.889 42.510 0.221 0.000 2.319 499 c HN 0.345 nan 8.230 nan 0.000 0.515 500 A N 2.325 125.193 122.820 0.079 0.000 2.539 500 A HA 0.755 5.077 4.320 0.003 0.000 0.296 500 A C -1.344 176.330 177.584 0.151 0.000 1.073 500 A CA -0.384 51.705 52.037 0.087 0.000 0.700 500 A CB 1.032 20.046 19.000 0.024 0.000 1.296 500 A HN 0.972 nan 8.150 nan 0.000 0.405 501 W N 2.102 123.398 121.300 -0.006 0.000 2.315 501 W HA 0.492 5.154 4.660 0.002 0.000 0.316 501 W C -0.319 176.198 176.519 -0.004 0.000 1.211 501 W CA 0.018 57.364 57.345 0.002 0.000 1.201 501 W CB 1.705 31.164 29.460 -0.003 0.000 1.184 501 W HN 0.653 nan 8.180 nan 0.000 0.544 502 S N 7.674 122.988 115.700 -0.643 0.000 2.466 502 S HA 0.258 4.730 4.470 0.003 0.000 0.313 502 S C -1.475 172.815 174.600 -0.516 0.000 1.078 502 S CA -1.634 56.297 58.200 -0.449 0.000 1.115 502 S CB 1.088 64.053 63.200 -0.393 0.000 1.006 502 S HN 0.294 nan 8.310 nan 0.000 0.487 503 P HA -0.088 nan 4.420 nan 0.000 0.216 503 P C -1.367 175.917 177.300 -0.027 0.000 1.153 503 P CA 1.125 64.257 63.100 0.053 0.000 0.858 503 P CB -0.730 31.051 31.700 0.134 0.000 0.789 504 P HA -0.171 nan 4.420 nan 0.000 0.216 504 P C 1.321 178.571 177.300 -0.083 0.000 1.153 504 P CA 2.265 65.331 63.100 -0.056 0.000 0.858 504 P CB -0.873 30.793 31.700 -0.058 0.000 0.789 505 T N -4.831 109.630 114.554 -0.156 0.000 3.060 505 T HA 0.512 4.864 4.350 0.003 0.000 0.249 505 T C 1.052 175.626 174.700 -0.210 0.000 1.079 505 T CA 0.372 62.373 62.100 -0.166 0.000 1.013 505 T CB -0.639 68.117 68.868 -0.187 0.000 0.975 505 T HN 0.223 nan 8.240 nan 0.000 0.518 506 A N 1.019 123.667 122.820 -0.287 0.000 2.739 506 A HA -0.018 4.304 4.320 0.003 0.000 0.296 506 A C 0.631 177.820 177.584 -0.660 0.000 1.488 506 A CA 0.890 52.790 52.037 -0.228 0.000 0.746 506 A CB -2.614 16.451 19.000 0.109 0.000 1.047 506 A HN 1.469 nan 8.150 nan 0.000 0.477 507 T N -3.306 110.497 114.554 -1.252 0.000 2.883 507 T HA 0.580 4.932 4.350 0.003 0.000 0.301 507 T C -0.198 173.860 174.700 -1.070 0.000 1.158 507 T CA -0.214 61.300 62.100 -0.977 0.000 1.007 507 T CB 1.562 70.192 68.868 -0.397 0.000 1.186 507 T HN 1.594 nan 8.240 nan 0.000 0.499 508 c N 3.638 122.033 118.600 -0.342 0.000 2.325 508 c HA 0.802 5.373 4.570 0.003 0.000 0.347 508 c C 0.390 174.467 174.090 -0.023 0.000 1.263 508 c CA 0.036 56.398 56.329 0.056 0.000 1.806 508 c CB -1.549 41.214 42.510 0.422 0.000 2.405 508 c HN 0.905 nan 8.230 nan 0.000 0.537 509 V N 4.039 123.928 119.914 -0.040 0.000 3.046 509 V HA 0.906 5.028 4.120 0.003 0.000 0.316 509 V C 0.205 176.291 176.094 -0.013 0.000 1.104 509 V CA -0.707 61.562 62.300 -0.052 0.000 1.006 509 V CB 1.380 33.142 31.823 -0.102 0.000 1.058 509 V HN 1.154 nan 8.190 nan 0.000 0.440 510 A N 2.186 124.988 122.820 -0.029 0.000 2.395 510 A HA 0.473 4.795 4.320 0.003 0.000 0.286 510 A C 0.948 178.509 177.584 -0.039 0.000 1.193 510 A CA -0.202 51.825 52.037 -0.015 0.000 0.852 510 A CB -0.074 18.898 19.000 -0.047 0.000 1.118 510 A HN 1.364 nan 8.150 nan 0.000 0.524 511 L N 2.531 123.709 121.223 -0.075 0.000 2.123 511 L HA -0.244 4.098 4.340 0.003 0.000 0.217 511 L C 1.712 178.429 176.870 -0.255 0.000 1.081 511 L CA 2.188 56.901 54.840 -0.210 0.000 0.772 511 L CB -0.442 41.402 42.059 -0.359 0.000 0.890 511 L HN 0.813 nan 8.230 nan 0.000 0.437 512 H N -1.730 117.358 119.070 0.029 0.000 2.586 512 H HA 0.243 4.801 4.556 0.003 0.000 0.273 512 H C 1.194 176.510 175.328 -0.020 0.000 0.997 512 H CA 0.347 56.401 56.048 0.009 0.000 1.177 512 H CB 0.357 30.134 29.762 0.026 0.000 1.471 512 H HN 0.547 nan 8.280 nan 0.000 0.538 513 Q N -0.473 119.356 119.800 0.047 0.000 2.164 513 Q HA 0.114 4.455 4.340 0.003 0.000 0.226 513 Q C 0.450 176.438 176.000 -0.020 0.000 0.813 513 Q CA -0.049 55.754 55.803 -0.000 0.000 0.978 513 Q CB 1.703 30.417 28.738 -0.041 0.000 1.149 513 Q HN -0.007 nan 8.270 nan 0.000 0.489 514 T N 0.752 115.292 114.554 -0.023 0.000 2.913 514 T HA 0.076 4.427 4.350 0.003 0.000 0.287 514 T C 0.819 175.501 174.700 -0.029 0.000 1.008 514 T CA -0.368 61.708 62.100 -0.040 0.000 1.067 514 T CB 0.823 69.656 68.868 -0.059 0.000 0.996 514 T HN 0.217 nan 8.240 nan 0.000 0.513 515 E N 1.894 122.071 120.200 -0.037 0.000 2.481 515 E HA 0.112 4.464 4.350 0.003 0.000 0.198 515 E C 0.628 177.208 176.600 -0.035 0.000 1.027 515 E CA -0.130 56.252 56.400 -0.029 0.000 0.900 515 E CB 0.026 29.709 29.700 -0.030 0.000 0.993 515 E HN 0.339 nan 8.360 nan 0.000 0.482 516 S N 2.873 118.544 115.700 -0.048 0.000 2.516 516 S HA 0.182 4.653 4.470 0.003 0.000 0.282 516 S C -2.260 172.317 174.600 -0.038 0.000 1.286 516 S CA -1.273 56.893 58.200 -0.055 0.000 1.066 516 S CB 0.233 63.382 63.200 -0.086 0.000 0.884 516 S HN -0.106 nan 8.310 nan 0.000 0.491 517 P HA -0.029 nan 4.420 nan 0.000 0.257 517 P C 0.708 177.999 177.300 -0.015 0.000 1.162 517 P CA 0.244 63.334 63.100 -0.017 0.000 0.762 517 P CB 0.407 32.099 31.700 -0.013 0.000 0.753 518 S N 4.559 120.254 115.700 -0.008 0.000 2.382 518 S HA -0.199 4.272 4.470 0.003 0.000 0.228 518 S C 1.515 176.115 174.600 -0.001 0.000 1.027 518 S CA 0.834 59.030 58.200 -0.007 0.000 0.991 518 S CB -0.406 62.797 63.200 0.004 0.000 0.823 518 S HN 0.373 nan 8.310 nan 0.000 0.469 519 R N 0.550 121.052 120.500 0.003 0.000 2.280 519 R HA 0.097 4.439 4.340 0.003 0.000 0.207 519 R C 2.325 178.631 176.300 0.010 0.000 1.043 519 R CA 0.816 56.921 56.100 0.007 0.000 1.006 519 R CB -0.531 29.773 30.300 0.007 0.000 0.885 519 R HN 0.615 nan 8.270 nan 0.000 0.467 520 G N 0.600 109.404 108.800 0.007 0.000 2.744 520 G HA2 0.074 4.036 3.960 0.003 0.000 0.211 520 G HA3 0.074 4.036 3.960 0.003 0.000 0.211 520 G C 0.638 175.552 174.900 0.024 0.000 1.146 520 G CA -0.341 44.767 45.100 0.014 0.000 0.787 520 G HN 0.016 nan 8.290 nan 0.000 0.534 521 L N 0.947 122.178 121.223 0.014 0.000 2.483 521 L HA 0.235 4.577 4.340 0.003 0.000 0.276 521 L C -0.052 176.853 176.870 0.057 0.000 1.213 521 L CA 0.273 55.128 54.840 0.024 0.000 0.843 521 L CB 0.837 42.895 42.059 -0.002 0.000 1.107 521 L HN 0.010 nan 8.230 nan 0.000 0.487 522 I N 2.812 123.446 120.570 0.108 0.000 2.406 522 I HA 0.360 4.532 4.170 0.003 0.000 0.290 522 I C -0.328 175.845 176.117 0.093 0.000 0.999 522 I CA -0.258 61.108 61.300 0.110 0.000 1.124 522 I CB 1.674 39.770 38.000 0.160 0.000 1.289 522 I HN 0.596 nan 8.210 nan 0.000 0.441 523 Q N 5.807 125.634 119.800 0.044 0.000 2.327 523 Q HA 0.336 4.678 4.340 0.003 0.000 0.265 523 Q C -1.840 174.159 176.000 -0.000 0.000 0.993 523 Q CA -0.671 55.144 55.803 0.020 0.000 0.885 523 Q CB 2.335 31.079 28.738 0.009 0.000 1.379 523 Q HN 0.472 nan 8.270 nan 0.000 0.408 524 E N 5.261 125.448 120.200 -0.021 0.000 2.373 524 E HA 0.194 4.546 4.350 0.003 0.000 0.251 524 E C 0.228 176.795 176.600 -0.055 0.000 0.923 524 E CA -0.434 55.947 56.400 -0.032 0.000 0.798 524 E CB 1.416 31.093 29.700 -0.039 0.000 1.303 524 E HN 0.769 nan 8.360 nan 0.000 0.412 525 M N 0.593 120.167 119.600 -0.043 0.000 2.549 525 M HA -0.085 4.397 4.480 0.003 0.000 0.260 525 M C 1.746 177.990 176.300 -0.093 0.000 1.076 525 M CA 0.882 56.136 55.300 -0.076 0.000 1.090 525 M CB -0.925 31.663 32.600 -0.021 0.000 1.418 525 M HN 0.283 nan 8.290 nan 0.000 0.486 526 S N -0.758 114.899 115.700 -0.071 0.000 2.522 526 S HA 0.162 4.634 4.470 0.003 0.000 0.227 526 S C 1.642 176.174 174.600 -0.112 0.000 0.986 526 S CA 0.810 58.959 58.200 -0.085 0.000 0.929 526 S CB -0.384 62.779 63.200 -0.062 0.000 0.769 526 S HN 0.632 nan 8.310 nan 0.000 0.529 527 G N 1.072 109.802 108.800 -0.116 0.000 2.179 527 G HA2 -0.253 3.708 3.960 0.003 0.000 0.260 527 G HA3 -0.253 3.708 3.960 0.003 0.000 0.260 527 G C -0.217 174.620 174.900 -0.104 0.000 0.977 527 G CA 0.154 45.178 45.100 -0.128 0.000 0.641 527 G HN 0.653 nan 8.290 nan 0.000 0.533 528 D N 0.904 121.254 120.400 -0.083 0.000 2.344 528 D HA 0.580 5.222 4.640 0.003 0.000 0.253 528 D C 1.221 177.481 176.300 -0.067 0.000 1.255 528 D CA 0.499 54.458 54.000 -0.068 0.000 0.894 528 D CB 0.547 41.316 40.800 -0.052 0.000 1.067 528 D HN 0.492 nan 8.370 nan 0.000 0.492 529 A N 3.131 125.904 122.820 -0.077 0.000 2.302 529 A HA 0.058 4.380 4.320 0.003 0.000 0.219 529 A C 2.139 179.677 177.584 -0.077 0.000 1.243 529 A CA -0.071 51.912 52.037 -0.090 0.000 0.856 529 A CB -0.082 18.847 19.000 -0.118 0.000 0.893 529 A HN 0.512 nan 8.150 nan 0.000 0.491 530 S N 0.099 115.767 115.700 -0.054 0.000 2.372 530 S HA -0.232 4.240 4.470 0.003 0.000 0.227 530 S C 2.016 176.590 174.600 -0.043 0.000 1.044 530 S CA 2.023 60.198 58.200 -0.041 0.000 1.050 530 S CB -0.680 62.504 63.200 -0.027 0.000 0.901 530 S HN 1.014 nan 8.310 nan 0.000 0.447 531 V N -0.653 119.238 119.914 -0.039 0.000 2.913 531 V HA 0.013 4.134 4.120 0.003 0.000 0.260 531 V C 1.142 177.212 176.094 -0.041 0.000 1.098 531 V CA -0.156 62.127 62.300 -0.029 0.000 1.121 531 V CB -1.874 29.941 31.823 -0.014 0.000 0.714 531 V HN 0.447 nan 8.190 nan 0.000 0.487 532 c N 3.313 121.864 118.600 -0.081 0.000 2.538 532 c HA 0.260 4.831 4.570 0.003 0.000 0.408 532 c C -1.270 172.753 174.090 -0.112 0.000 1.421 532 c CA -0.470 55.776 56.329 -0.139 0.000 1.642 532 c CB -0.417 41.952 42.510 -0.235 0.000 2.553 532 c HN 0.515 nan 8.230 nan 0.000 0.604 533 P HA 0.193 nan 4.420 nan 0.000 0.276 533 P C -0.231 177.028 177.300 -0.069 0.000 1.252 533 P CA 0.067 63.148 63.100 -0.031 0.000 0.802 533 P CB 0.313 32.048 31.700 0.059 0.000 1.035 534 D N -0.260 120.119 120.400 -0.035 0.000 2.720 534 D HA -0.198 4.444 4.640 0.003 0.000 0.229 534 D C 0.676 176.929 176.300 -0.079 0.000 1.198 534 D CA 0.811 54.786 54.000 -0.041 0.000 0.639 534 D CB -1.109 39.687 40.800 -0.007 0.000 1.003 534 D HN 0.485 nan 8.370 nan 0.000 0.411 535 K N -0.368 119.979 120.400 -0.087 0.000 2.360 535 K HA -0.064 4.258 4.320 0.003 0.000 0.201 535 K C 0.710 177.263 176.600 -0.079 0.000 1.046 535 K CA 0.560 56.787 56.287 -0.100 0.000 0.940 535 K CB 0.117 32.566 32.500 -0.083 0.000 0.748 535 K HN 0.026 nan 8.250 nan 0.000 0.465 536 S N 2.097 117.761 115.700 -0.059 0.000 3.829 536 S HA 0.038 4.509 4.470 0.003 0.000 0.250 536 S C 0.148 174.719 174.600 -0.049 0.000 1.263 536 S CA -0.098 58.074 58.200 -0.047 0.000 0.955 536 S CB -0.109 63.066 63.200 -0.043 0.000 1.611 536 S HN 0.184 nan 8.310 nan 0.000 0.483 537 K N 1.585 121.948 120.400 -0.062 0.000 2.609 537 K HA -0.208 4.114 4.320 0.003 0.000 0.183 537 K C 1.772 178.352 176.600 -0.034 0.000 0.667 537 K CA 1.949 58.197 56.287 -0.065 0.000 0.842 537 K CB -0.640 31.819 32.500 -0.068 0.000 0.257 537 K HN 0.555 nan 8.250 nan 0.000 1.065 538 G N -1.816 106.973 108.800 -0.019 0.000 2.675 538 G HA2 0.010 3.972 3.960 0.003 0.000 0.202 538 G HA3 0.010 3.972 3.960 0.003 0.000 0.202 538 G C -0.383 174.531 174.900 0.023 0.000 1.252 538 G CA 0.235 45.338 45.100 0.005 0.000 0.627 538 G HN 0.472 nan 8.290 nan 0.000 0.921 539 S N 0.658 116.360 115.700 0.003 0.000 2.714 539 S HA 0.225 4.696 4.470 0.003 0.000 0.318 539 S C -0.804 173.789 174.600 -0.012 0.000 1.219 539 S CA -0.273 57.919 58.200 -0.013 0.000 1.175 539 S CB -0.607 62.564 63.200 -0.048 0.000 0.961 539 S HN 0.361 nan 8.310 nan 0.000 0.518 540 Y N 4.639 124.859 120.300 -0.134 0.000 2.346 540 Y HA 0.623 5.175 4.550 0.003 0.000 0.332 540 Y C -0.441 175.353 175.900 -0.176 0.000 0.985 540 Y CA -0.958 57.048 58.100 -0.156 0.000 1.112 540 Y CB 1.127 39.527 38.460 -0.100 0.000 1.170 540 Y HN 0.675 nan 8.280 nan 0.000 0.447 541 R N 3.185 123.244 120.500 -0.734 0.000 2.740 541 R HA 0.513 4.855 4.340 0.003 0.000 0.282 541 R C -1.427 174.429 176.300 -0.740 0.000 0.969 541 R CA -0.917 54.837 56.100 -0.578 0.000 0.918 541 R CB 1.560 31.662 30.300 -0.330 0.000 1.175 541 R HN 0.655 nan 8.270 nan 0.000 0.464 542 Q N 2.332 121.736 119.800 -0.660 0.000 2.293 542 Q HA 0.439 4.781 4.340 0.003 0.000 0.261 542 Q C -1.029 174.439 176.000 -0.886 0.000 0.960 542 Q CA -0.503 54.933 55.803 -0.612 0.000 0.882 542 Q CB 1.685 30.140 28.738 -0.472 0.000 1.275 542 Q HN 0.420 nan 8.270 nan 0.000 0.445 543 H N 2.510 121.328 119.070 -0.420 0.000 2.727 543 H HA 0.355 4.913 4.556 0.003 0.000 0.330 543 H C -1.050 173.969 175.328 -0.515 0.000 0.986 543 H CA -0.697 55.004 56.048 -0.577 0.000 1.251 543 H CB 0.707 30.276 29.762 -0.323 0.000 1.493 543 H HN 0.519 nan 8.280 nan 0.000 0.515 544 F N 3.977 123.667 119.950 -0.434 0.000 2.334 544 F HA 0.263 4.791 4.527 0.003 0.000 0.365 544 F C -0.392 175.192 175.800 -0.359 0.000 1.124 544 F CA -0.699 57.146 58.000 -0.258 0.000 1.166 544 F CB -0.168 38.736 39.000 -0.160 0.000 1.355 544 F HN 0.274 nan 8.300 nan 0.000 0.532 545 F N 1.883 121.974 119.950 0.234 0.000 2.493 545 F HA 0.413 4.942 4.527 0.003 0.000 0.329 545 F C 0.472 176.327 175.800 0.091 0.000 1.126 545 F CA -1.727 56.343 58.000 0.117 0.000 0.937 545 F CB 1.640 40.657 39.000 0.028 0.000 1.146 545 F HN 0.224 nan 8.300 nan 0.000 0.442 546 K N 1.767 122.353 120.400 0.311 0.000 2.344 546 K HA -0.016 4.306 4.320 0.003 0.000 0.260 546 K C 0.192 176.890 176.600 0.163 0.000 0.988 546 K CA -0.130 56.276 56.287 0.198 0.000 0.909 546 K CB 0.360 32.952 32.500 0.152 0.000 0.968 546 K HN 0.647 nan 8.250 nan 0.000 0.505 547 H N 0.641 119.756 119.070 0.075 0.000 2.629 547 H HA 0.095 4.653 4.556 0.003 0.000 0.357 547 H C 0.938 176.283 175.328 0.028 0.000 1.121 547 H CA 1.622 57.701 56.048 0.052 0.000 1.406 547 H CB 1.081 30.869 29.762 0.043 0.000 1.456 547 H HN 0.898 nan 8.280 nan 0.000 0.579 548 G N 2.887 111.571 108.800 -0.194 0.000 2.257 548 G HA2 -0.295 3.667 3.960 0.003 0.000 0.267 548 G HA3 -0.295 3.667 3.960 0.003 0.000 0.267 548 G C 0.799 175.663 174.900 -0.060 0.000 0.984 548 G CA 0.728 45.793 45.100 -0.058 0.000 0.626 548 G HN 0.971 nan 8.290 nan 0.000 0.540 549 G N -1.258 107.502 108.800 -0.067 0.000 2.570 549 G HA2 0.507 4.469 3.960 0.003 0.000 0.276 549 G HA3 0.507 4.469 3.960 0.003 0.000 0.276 549 G C -0.210 174.595 174.900 -0.159 0.000 1.346 549 G CA 0.832 45.881 45.100 -0.086 0.000 1.034 549 G HN 0.749 nan 8.290 nan 0.000 0.512 550 T N -0.276 114.147 114.554 -0.218 0.000 2.928 550 T HA 0.607 4.958 4.350 0.003 0.000 0.296 550 T C -0.393 174.002 174.700 -0.510 0.000 1.000 550 T CA 0.101 62.032 62.100 -0.283 0.000 0.989 550 T CB 1.248 70.072 68.868 -0.072 0.000 1.005 550 T HN 0.931 nan 8.240 nan 0.000 0.442 551 A N 3.407 125.795 122.820 -0.719 0.000 2.365 551 A HA 0.820 5.141 4.320 0.003 0.000 0.318 551 A C -0.706 176.454 177.584 -0.706 0.000 1.091 551 A CA -0.977 50.491 52.037 -0.948 0.000 0.763 551 A CB 1.001 18.993 19.000 -1.681 0.000 1.248 551 A HN 0.798 nan 8.150 nan 0.000 0.442 552 E N 1.736 121.607 120.200 -0.549 0.000 2.151 552 E HA 0.564 4.916 4.350 0.003 0.000 0.275 552 E C -1.367 174.960 176.600 -0.455 0.000 0.936 552 E CA -0.364 55.767 56.400 -0.448 0.000 0.777 552 E CB 1.145 30.681 29.700 -0.272 0.000 1.108 552 E HN 0.406 nan 8.360 nan 0.000 0.401 553 L N 3.905 124.789 121.223 -0.564 0.000 2.272 553 L HA 0.318 4.659 4.340 0.003 0.000 0.284 553 L C 0.131 176.921 176.870 -0.134 0.000 1.045 553 L CA -0.814 53.659 54.840 -0.611 0.000 0.842 553 L CB 0.681 42.150 42.059 -0.982 0.000 1.224 553 L HN 0.476 nan 8.230 nan 0.000 0.430 554 K N 2.193 122.615 120.400 0.036 0.000 2.447 554 K HA 0.110 4.432 4.320 0.003 0.000 0.281 554 K C -0.457 176.381 176.600 0.397 0.000 1.031 554 K CA 0.049 56.469 56.287 0.221 0.000 1.019 554 K CB 0.906 33.522 32.500 0.192 0.000 0.918 554 K HN 0.510 nan 8.250 nan 0.000 0.476 555 c N 3.299 122.070 118.600 0.284 0.000 2.383 555 c HA 0.399 4.970 4.570 0.003 0.000 0.330 555 c C -0.686 173.431 174.090 0.045 0.000 1.168 555 c CA -0.380 56.027 56.329 0.129 0.000 1.374 555 c CB 0.105 42.616 42.510 0.002 0.000 2.014 555 c HN 0.759 nan 8.230 nan 0.000 0.439 556 S N 4.636 120.343 115.700 0.012 0.000 2.473 556 S HA 0.828 5.300 4.470 0.003 0.000 0.307 556 S C -1.169 173.411 174.600 -0.033 0.000 1.094 556 S CA -0.488 57.712 58.200 0.001 0.000 1.070 556 S CB 1.739 64.954 63.200 0.024 0.000 1.019 556 S HN 0.863 nan 8.310 nan 0.000 0.480 557 Q N 0.994 120.770 119.800 -0.040 0.000 2.353 557 Q HA 0.486 4.828 4.340 0.003 0.000 0.275 557 Q C -0.441 175.524 176.000 -0.058 0.000 1.029 557 Q CA -0.885 54.885 55.803 -0.054 0.000 0.848 557 Q CB 0.904 29.593 28.738 -0.082 0.000 1.390 557 Q HN 0.280 nan 8.270 nan 0.000 0.401 558 K N 0.282 120.641 120.400 -0.068 0.000 2.361 558 K HA 0.140 4.462 4.320 0.003 0.000 0.196 558 K C 0.123 176.641 176.600 -0.138 0.000 1.039 558 K CA 0.198 56.413 56.287 -0.120 0.000 1.001 558 K CB 0.561 32.960 32.500 -0.168 0.000 0.795 558 K HN 0.628 nan 8.250 nan 0.000 0.495 559 S N 2.289 117.927 115.700 -0.103 0.000 2.466 559 S HA 0.047 4.519 4.470 0.003 0.000 0.286 559 S C 0.825 175.376 174.600 -0.082 0.000 1.221 559 S CA -0.414 57.729 58.200 -0.095 0.000 1.091 559 S CB 0.108 63.260 63.200 -0.079 0.000 0.956 559 S HN 0.164 nan 8.310 nan 0.000 0.501 560 N N 4.364 123.010 118.700 -0.089 0.000 2.512 560 N HA 0.031 4.772 4.740 0.003 0.000 0.183 560 N C 0.953 176.435 175.510 -0.046 0.000 1.073 560 N CA 0.709 53.718 53.050 -0.068 0.000 0.911 560 N CB -0.044 38.397 38.487 -0.077 0.000 0.964 560 N HN 0.611 nan 8.380 nan 0.000 0.447 561 L N -0.554 120.641 121.223 -0.046 0.000 2.640 561 L HA 0.353 4.695 4.340 0.003 0.000 0.230 561 L C 0.717 177.564 176.870 -0.037 0.000 1.123 561 L CA -0.276 54.544 54.840 -0.033 0.000 0.900 561 L CB 0.121 42.164 42.059 -0.026 0.000 1.146 561 L HN -0.083 nan 8.230 nan 0.000 0.484 562 A N 1.009 123.803 122.820 -0.044 0.000 2.316 562 A HA 0.541 4.863 4.320 0.003 0.000 0.284 562 A C -0.019 177.557 177.584 -0.013 0.000 1.115 562 A CA -0.296 51.715 52.037 -0.043 0.000 0.812 562 A CB 0.525 19.488 19.000 -0.062 0.000 1.064 562 A HN 0.265 nan 8.150 nan 0.000 0.489 563 R N 1.624 122.133 120.500 0.014 0.000 2.215 563 R HA 0.470 4.811 4.340 0.003 0.000 0.336 563 R C -0.755 175.623 176.300 0.130 0.000 0.996 563 R CA -0.225 55.917 56.100 0.070 0.000 0.847 563 R CB 0.803 31.152 30.300 0.082 0.000 1.127 563 R HN 0.915 nan 8.270 nan 0.000 0.465 564 V N 4.775 124.740 119.914 0.086 0.000 2.532 564 V HA 0.850 4.972 4.120 0.003 0.000 0.295 564 V C -0.888 175.281 176.094 0.125 0.000 1.041 564 V CA -0.467 61.837 62.300 0.006 0.000 0.926 564 V CB 0.799 32.546 31.823 -0.126 0.000 0.992 564 V HN 0.744 nan 8.190 nan 0.000 0.457 565 F N 2.584 122.481 119.950 -0.087 0.000 2.664 565 F HA 0.914 5.443 4.527 0.002 0.000 0.317 565 F C -1.430 174.295 175.800 -0.125 0.000 1.108 565 F CA -1.609 56.388 58.000 -0.005 0.000 0.957 565 F CB 1.085 40.124 39.000 0.065 0.000 1.365 565 F HN 0.565 nan 8.300 nan 0.000 0.475 566 W N 1.242 122.627 121.300 0.140 0.000 2.639 566 W HA 0.717 5.378 4.660 0.003 0.000 0.347 566 W C -0.598 176.011 176.519 0.150 0.000 1.067 566 W CA -0.697 56.673 57.345 0.042 0.000 1.218 566 W CB 1.824 31.280 29.460 -0.006 0.000 1.393 566 W HN 0.305 nan 8.180 nan 0.000 0.557 567 K N 1.664 122.285 120.400 0.369 0.000 2.318 567 K HA 0.574 4.896 4.320 0.003 0.000 0.249 567 K C -1.792 175.018 176.600 0.350 0.000 0.942 567 K CA -1.037 55.429 56.287 0.299 0.000 0.808 567 K CB 2.267 34.869 32.500 0.171 0.000 1.189 567 K HN 0.256 nan 8.250 nan 0.000 0.428 568 F N 2.449 122.427 119.950 0.048 0.000 2.547 568 F HA 0.164 4.693 4.527 0.003 0.000 0.316 568 F C -0.875 174.876 175.800 -0.081 0.000 1.121 568 F CA -1.197 56.744 58.000 -0.098 0.000 0.911 568 F CB 1.407 40.370 39.000 -0.061 0.000 1.179 568 F HN 0.606 nan 8.300 nan 0.000 0.443 569 Q N 5.790 125.391 119.800 -0.332 0.000 2.374 569 Q HA -0.310 4.031 4.340 0.003 0.000 0.363 569 Q C 0.958 176.849 176.000 -0.181 0.000 1.274 569 Q CA 1.236 56.818 55.803 -0.370 0.000 1.135 569 Q CB -1.256 27.088 28.738 -0.656 0.000 1.271 569 Q HN 0.929 nan 8.270 nan 0.000 0.304 570 N N -1.751 116.903 118.700 -0.076 0.000 1.771 570 N HA -0.234 4.508 4.740 0.003 0.000 0.215 570 N C 0.377 175.884 175.510 -0.006 0.000 0.901 570 N CA 1.774 54.800 53.050 -0.039 0.000 4.070 570 N CB -1.567 36.886 38.487 -0.056 0.000 0.698 570 N HN 0.805 nan 8.380 nan 0.000 0.274 571 G N 1.570 110.367 108.800 -0.005 0.000 2.476 571 G HA2 0.517 4.479 3.960 0.003 0.000 0.269 571 G HA3 0.517 4.479 3.960 0.003 0.000 0.269 571 G C 0.520 175.484 174.900 0.106 0.000 1.195 571 G CA 0.114 45.235 45.100 0.035 0.000 0.843 571 G HN 0.969 nan 8.290 nan 0.000 0.545 572 V N 2.262 122.245 119.914 0.114 0.000 2.470 572 V HA 0.472 4.594 4.120 0.003 0.000 0.276 572 V C 0.618 176.813 176.094 0.168 0.000 1.040 572 V CA -0.936 61.475 62.300 0.185 0.000 1.008 572 V CB 0.257 32.168 31.823 0.146 0.000 0.990 572 V HN 0.738 nan 8.190 nan 0.000 0.477 573 L N 4.552 125.901 121.223 0.210 0.000 2.475 573 L HA 0.641 4.983 4.340 0.003 0.000 0.253 573 L C -0.142 176.773 176.870 0.074 0.000 1.198 573 L CA -0.679 54.241 54.840 0.134 0.000 0.814 573 L CB 1.039 43.129 42.059 0.052 0.000 1.134 573 L HN 0.748 nan 8.230 nan 0.000 0.478 574 K N 2.767 123.183 120.400 0.026 0.000 2.521 574 K HA 0.469 4.791 4.320 0.003 0.000 0.248 574 K C -0.269 176.334 176.600 0.005 0.000 0.978 574 K CA -0.143 56.171 56.287 0.044 0.000 0.947 574 K CB 1.660 34.213 32.500 0.088 0.000 1.165 574 K HN 0.634 nan 8.250 nan 0.000 0.445 575 A N 3.056 125.838 122.820 -0.063 0.000 3.125 575 A HA 0.003 4.324 4.320 0.003 0.000 0.272 575 A C -0.360 177.284 177.584 0.101 0.000 1.976 575 A CA 0.191 52.189 52.037 -0.066 0.000 1.502 575 A CB -0.702 18.242 19.000 -0.094 0.000 0.959 575 A HN 0.720 nan 8.150 nan 0.000 0.608 576 E N 0.813 121.130 120.200 0.195 0.000 2.199 576 E HA 0.440 4.792 4.350 0.003 0.000 0.269 576 E C 0.004 176.708 176.600 0.172 0.000 0.899 576 E CA -0.554 55.940 56.400 0.156 0.000 0.772 576 E CB 1.391 31.166 29.700 0.125 0.000 1.155 576 E HN 0.596 nan 8.360 nan 0.000 0.408 577 S N 3.038 118.809 115.700 0.118 0.000 2.572 577 S HA 0.063 4.534 4.470 0.003 0.000 0.267 577 S C -1.619 173.011 174.600 0.050 0.000 1.361 577 S CA -0.919 57.334 58.200 0.088 0.000 1.009 577 S CB 0.170 63.402 63.200 0.053 0.000 0.888 577 S HN 0.531 nan 8.310 nan 0.000 0.553 578 P HA 0.200 nan 4.420 nan 0.000 0.251 578 P C 0.777 178.079 177.300 0.004 0.000 1.223 578 P CA 0.363 63.457 63.100 -0.009 0.000 0.796 578 P CB 0.191 31.862 31.700 -0.048 0.000 1.068 579 K N -1.341 119.015 120.400 -0.073 0.000 2.305 579 K HA 0.008 4.330 4.320 0.003 0.000 0.199 579 K C 0.153 176.498 176.600 -0.426 0.000 1.047 579 K CA 0.748 56.874 56.287 -0.267 0.000 0.976 579 K CB 0.139 32.342 32.500 -0.494 0.000 0.765 579 K HN 0.095 nan 8.250 nan 0.000 0.474 580 Y N -0.841 119.485 120.300 0.043 0.000 3.072 580 Y HA 0.536 5.087 4.550 0.003 0.000 0.314 580 Y C 0.148 176.008 175.900 -0.067 0.000 1.446 580 Y CA -0.730 57.291 58.100 -0.132 0.000 1.055 580 Y CB 1.401 39.765 38.460 -0.159 0.000 1.365 580 Y HN -0.024 nan 8.280 nan 0.000 0.657 581 G N 0.486 109.310 108.800 0.039 0.000 2.414 581 G HA2 0.274 4.235 3.960 0.003 0.000 0.213 581 G HA3 0.274 4.235 3.960 0.003 0.000 0.213 581 G C -2.219 172.613 174.900 -0.113 0.000 1.444 581 G CA -1.217 43.895 45.100 0.021 0.000 1.076 581 G HN 0.441 nan 8.290 nan 0.000 0.638 582 L N 2.398 123.585 121.223 -0.060 0.000 2.313 582 L HA 0.560 4.902 4.340 0.003 0.000 0.282 582 L C 1.149 178.001 176.870 -0.030 0.000 1.092 582 L CA -0.581 54.220 54.840 -0.065 0.000 0.831 582 L CB 1.137 43.208 42.059 0.020 0.000 1.159 582 L HN 0.624 nan 8.230 nan 0.000 0.442 583 M N 4.395 123.959 119.600 -0.059 0.000 2.922 583 M HA 0.295 4.776 4.480 0.003 0.000 0.294 583 M C 0.934 177.238 176.300 0.007 0.000 1.556 583 M CA 0.315 55.598 55.300 -0.029 0.000 1.568 583 M CB -0.983 31.585 32.600 -0.054 0.000 1.462 583 M HN 0.758 nan 8.290 nan 0.000 0.489 584 G N 4.956 113.767 108.800 0.018 0.000 2.354 584 G HA2 -0.297 3.665 3.960 0.003 0.000 0.278 584 G HA3 -0.297 3.665 3.960 0.003 0.000 0.278 584 G C -0.315 174.607 174.900 0.037 0.000 0.953 584 G CA 0.353 45.469 45.100 0.026 0.000 1.346 584 G HN 1.074 nan 8.290 nan 0.000 0.467 585 R N -0.889 119.640 120.500 0.049 0.000 1.826 585 R HA -0.133 4.209 4.340 0.003 0.000 0.359 585 R C 0.710 177.056 176.300 0.078 0.000 1.240 585 R CA 1.514 57.652 56.100 0.064 0.000 1.176 585 R CB -0.942 29.385 30.300 0.045 0.000 3.343 585 R HN 1.007 nan 8.270 nan 0.000 0.487 586 K N -0.159 120.318 120.400 0.129 0.000 8.075 586 K HA -0.117 4.205 4.320 0.003 0.000 0.189 586 K C -0.938 175.864 176.600 0.337 0.000 1.601 586 K CA 0.226 56.615 56.287 0.170 0.000 0.930 586 K CB -0.869 31.694 32.500 0.104 0.000 0.359 586 K HN 0.615 nan 8.250 nan 0.000 0.419 587 N N 2.348 121.178 118.700 0.216 0.000 2.356 587 N HA 0.114 4.856 4.740 0.003 0.000 0.252 587 N C -0.643 174.816 175.510 -0.084 0.000 1.241 587 N CA 0.330 53.466 53.050 0.144 0.000 0.861 587 N CB 0.163 38.652 38.487 0.005 0.000 1.075 587 N HN 0.319 nan 8.380 nan 0.000 0.461 588 L N 2.627 123.549 121.223 -0.502 0.000 2.295 588 L HA 0.486 4.827 4.340 0.003 0.000 0.285 588 L C -1.045 175.367 176.870 -0.763 0.000 1.035 588 L CA -0.454 53.852 54.840 -0.890 0.000 0.806 588 L CB 0.752 41.662 42.059 -1.915 0.000 1.214 588 L HN 0.410 nan 8.230 nan 0.000 0.426 589 L N 6.195 127.038 121.223 -0.632 0.000 2.317 589 L HA 0.528 4.870 4.340 0.003 0.000 0.281 589 L C -0.745 175.680 176.870 -0.741 0.000 1.024 589 L CA -0.499 53.896 54.840 -0.743 0.000 0.810 589 L CB 1.691 43.228 42.059 -0.870 0.000 1.240 589 L HN 0.536 nan 8.230 nan 0.000 0.427 590 I N 2.955 123.084 120.570 -0.734 0.000 2.371 590 I HA 0.285 4.457 4.170 0.003 0.000 0.282 590 I C -0.518 175.269 176.117 -0.551 0.000 1.031 590 I CA -0.160 60.810 61.300 -0.551 0.000 1.180 590 I CB 0.566 38.266 38.000 -0.500 0.000 1.336 590 I HN 0.265 nan 8.210 nan 0.000 0.467 591 F N 4.019 123.783 119.950 -0.310 0.000 2.429 591 F HA 0.187 4.716 4.527 0.003 0.000 0.348 591 F C 1.204 176.852 175.800 -0.253 0.000 1.109 591 F CA -0.597 57.247 58.000 -0.260 0.000 1.232 591 F CB 0.039 38.911 39.000 -0.214 0.000 1.157 591 F HN 0.507 nan 8.300 nan 0.000 0.564 592 N N 2.139 120.848 118.700 0.015 0.000 2.568 592 N HA -0.193 4.549 4.740 0.003 0.000 0.277 592 N C -1.024 174.388 175.510 -0.162 0.000 1.200 592 N CA -0.183 52.822 53.050 -0.075 0.000 0.702 592 N CB -0.534 37.916 38.487 -0.061 0.000 0.889 592 N HN 0.479 nan 8.380 nan 0.000 0.546 593 L N 1.413 122.512 121.223 -0.207 0.000 2.774 593 L HA -0.049 4.293 4.340 0.003 0.000 0.284 593 L C 1.501 178.128 176.870 -0.405 0.000 1.149 593 L CA 0.440 55.130 54.840 -0.250 0.000 1.069 593 L CB -0.331 41.603 42.059 -0.208 0.000 1.407 593 L HN 0.519 nan 8.230 nan 0.000 0.460 594 S N 2.379 117.917 115.700 -0.269 0.000 2.078 594 S HA 0.068 4.539 4.470 0.003 0.000 0.194 594 S C 1.046 175.583 174.600 -0.105 0.000 1.346 594 S CA 0.403 58.464 58.200 -0.230 0.000 1.309 594 S CB 0.953 64.124 63.200 -0.049 0.000 0.721 594 S HN 0.679 nan 8.310 nan 0.000 0.396 595 E N -1.213 119.032 120.200 0.074 0.000 2.555 595 E HA 0.306 4.658 4.350 0.003 0.000 0.209 595 E C 1.363 178.053 176.600 0.150 0.000 0.847 595 E CA 0.632 57.117 56.400 0.140 0.000 1.438 595 E CB -0.322 29.492 29.700 0.190 0.000 1.420 595 E HN 0.596 nan 8.360 nan 0.000 0.755 596 G N 0.677 109.561 108.800 0.140 0.000 2.848 596 G HA2 -0.125 3.837 3.960 0.003 0.000 0.208 596 G HA3 -0.125 3.837 3.960 0.003 0.000 0.208 596 G C 0.911 175.980 174.900 0.282 0.000 1.152 596 G CA 0.457 45.654 45.100 0.161 0.000 0.789 596 G HN 0.065 nan 8.290 nan 0.000 0.531 597 D N 0.029 120.590 120.400 0.268 0.000 2.350 597 D HA 0.083 4.725 4.640 0.003 0.000 0.213 597 D C 0.844 177.404 176.300 0.433 0.000 1.031 597 D CA 0.190 54.400 54.000 0.350 0.000 0.861 597 D CB 0.427 41.298 40.800 0.119 0.000 0.926 597 D HN 0.067 nan 8.370 nan 0.000 0.520 598 S N -0.243 115.661 115.700 0.341 0.000 2.549 598 S HA 0.515 4.987 4.470 0.003 0.000 0.279 598 S C 0.636 175.444 174.600 0.348 0.000 1.321 598 S CA 0.116 58.506 58.200 0.317 0.000 1.054 598 S CB 1.380 64.713 63.200 0.223 0.000 0.899 598 S HN 0.434 nan 8.310 nan 0.000 0.497 599 G N 1.837 110.836 108.800 0.331 0.000 2.373 599 G HA2 0.174 4.136 3.960 0.003 0.000 0.250 599 G HA3 0.174 4.136 3.960 0.003 0.000 0.250 599 G C -1.674 173.357 174.900 0.218 0.000 1.304 599 G CA -0.589 44.659 45.100 0.246 0.000 0.948 599 G HN 0.707 nan 8.290 nan 0.000 0.474 600 V N 0.797 120.786 119.914 0.124 0.000 2.435 600 V HA 0.645 4.767 4.120 0.003 0.000 0.290 600 V C -1.153 174.955 176.094 0.025 0.000 1.030 600 V CA -0.462 61.914 62.300 0.126 0.000 0.881 600 V CB 1.178 33.068 31.823 0.111 0.000 0.983 600 V HN 0.559 nan 8.190 nan 0.000 0.445 601 Y N 3.179 123.662 120.300 0.304 0.000 2.328 601 Y HA 0.484 5.036 4.550 0.003 0.000 0.337 601 Y C 0.451 176.588 175.900 0.395 0.000 0.966 601 Y CA -0.456 57.855 58.100 0.352 0.000 1.136 601 Y CB 1.593 40.198 38.460 0.242 0.000 1.170 601 Y HN 0.506 nan 8.280 nan 0.000 0.470 602 Q N 2.568 122.617 119.800 0.415 0.000 2.293 602 Q HA 0.371 4.712 4.340 0.003 0.000 0.261 602 Q C -1.110 174.815 176.000 -0.125 0.000 0.960 602 Q CA -0.594 55.291 55.803 0.136 0.000 0.882 602 Q CB 2.444 31.208 28.738 0.043 0.000 1.275 602 Q HN 0.712 nan 8.270 nan 0.000 0.445 603 c N 5.871 124.158 118.600 -0.522 0.000 2.264 603 c HA 0.511 5.083 4.570 0.003 0.000 0.322 603 c C -0.412 173.261 174.090 -0.695 0.000 1.210 603 c CA -0.482 55.207 56.329 -1.066 0.000 1.539 603 c CB -0.894 40.717 42.510 -1.498 0.000 2.167 603 c HN 0.679 nan 8.230 nan 0.000 0.463 604 L N 4.841 125.578 121.223 -0.810 0.000 2.322 604 L HA 0.540 4.882 4.340 0.003 0.000 0.279 604 L C 0.357 176.875 176.870 -0.587 0.000 1.036 604 L CA -0.020 54.410 54.840 -0.684 0.000 0.807 604 L CB 1.683 43.235 42.059 -0.845 0.000 1.226 604 L HN 0.608 nan 8.230 nan 0.000 0.433 605 S N 1.922 117.459 115.700 -0.272 0.000 2.456 605 S HA 0.246 4.718 4.470 0.003 0.000 0.316 605 S C -0.561 174.010 174.600 -0.049 0.000 1.089 605 S CA -0.623 57.492 58.200 -0.143 0.000 1.101 605 S CB 1.031 64.149 63.200 -0.137 0.000 0.995 605 S HN 0.672 nan 8.310 nan 0.000 0.468 606 E N 3.617 123.831 120.200 0.024 0.000 2.175 606 E HA 0.410 4.762 4.350 0.003 0.000 0.278 606 E C -0.884 175.611 176.600 -0.176 0.000 0.969 606 E CA -0.358 55.958 56.400 -0.141 0.000 0.796 606 E CB 0.873 30.599 29.700 0.043 0.000 1.104 606 E HN 0.690 nan 8.360 nan 0.000 0.395 607 E N 2.699 122.735 120.200 -0.274 0.000 2.331 607 E HA 0.297 4.649 4.350 0.003 0.000 0.275 607 E C -1.199 175.279 176.600 -0.203 0.000 0.895 607 E CA -1.072 55.216 56.400 -0.187 0.000 0.753 607 E CB 1.291 30.901 29.700 -0.150 0.000 1.216 607 E HN 0.377 nan 8.360 nan 0.000 0.434 608 R N 2.007 122.421 120.500 -0.144 0.000 2.221 608 R HA 0.196 4.538 4.340 0.003 0.000 0.327 608 R C 0.178 176.405 176.300 -0.122 0.000 1.033 608 R CA -0.283 55.740 56.100 -0.127 0.000 0.887 608 R CB 1.035 31.282 30.300 -0.089 0.000 1.057 608 R HN 0.313 nan 8.270 nan 0.000 0.455 609 V N 2.159 121.997 119.914 -0.127 0.000 3.528 609 V HA 0.167 4.289 4.120 0.003 0.000 0.294 609 V C 0.764 176.782 176.094 -0.126 0.000 1.404 609 V CA 1.203 63.422 62.300 -0.136 0.000 1.065 609 V CB -0.260 31.480 31.823 -0.138 0.000 0.904 609 V HN 0.806 nan 8.190 nan 0.000 0.435 610 K N -0.328 120.011 120.400 -0.102 0.000 2.914 610 K HA 0.053 4.375 4.320 0.003 0.000 0.306 610 K C 0.413 176.971 176.600 -0.070 0.000 2.946 610 K CA 0.593 56.826 56.287 -0.091 0.000 1.551 610 K CB -0.264 32.184 32.500 -0.088 0.000 3.258 610 K HN 0.259 nan 8.250 nan 0.000 0.397 611 N N 1.449 120.113 118.700 -0.060 0.000 2.181 611 N HA 0.070 4.812 4.740 0.003 0.000 0.207 611 N C 0.028 175.512 175.510 -0.043 0.000 1.182 611 N CA 0.057 53.081 53.050 -0.043 0.000 0.893 611 N CB 0.593 39.060 38.487 -0.034 0.000 1.032 611 N HN -0.008 nan 8.380 nan 0.000 0.513 612 K N 0.730 121.098 120.400 -0.055 0.000 2.143 612 K HA 0.296 4.618 4.320 0.003 0.000 0.272 612 K C -0.789 175.758 176.600 -0.088 0.000 1.001 612 K CA -0.343 55.911 56.287 -0.055 0.000 0.915 612 K CB 1.272 33.740 32.500 -0.053 0.000 1.047 612 K HN -0.005 nan 8.250 nan 0.000 0.458 613 T N 3.173 117.669 114.554 -0.096 0.000 2.771 613 T HA 0.547 4.899 4.350 0.003 0.000 0.281 613 T C -0.884 173.633 174.700 -0.304 0.000 0.982 613 T CA -0.660 61.318 62.100 -0.202 0.000 0.978 613 T CB 0.345 69.109 68.868 -0.173 0.000 0.930 613 T HN 0.369 nan 8.240 nan 0.000 0.447 614 V N 2.827 122.481 119.914 -0.435 0.000 2.960 614 V HA 0.884 5.006 4.120 0.003 0.000 0.315 614 V C -1.188 174.508 176.094 -0.664 0.000 1.087 614 V CA -1.246 60.820 62.300 -0.389 0.000 0.982 614 V CB 1.502 33.220 31.823 -0.174 0.000 1.039 614 V HN 0.805 nan 8.190 nan 0.000 0.437 615 F N 1.044 120.986 119.950 -0.012 0.000 2.532 615 F HA 0.758 5.287 4.527 0.004 0.000 0.321 615 F C 0.002 175.761 175.800 -0.069 0.000 1.089 615 F CA -0.432 57.557 58.000 -0.020 0.000 0.926 615 F CB 2.079 41.093 39.000 0.023 0.000 1.168 615 F HN 0.704 nan 8.300 nan 0.000 0.459 616 Q N 1.968 121.799 119.800 0.051 0.000 2.305 616 Q HA 0.526 4.868 4.340 0.003 0.000 0.271 616 Q C -1.855 174.092 176.000 -0.088 0.000 1.046 616 Q CA -0.761 55.021 55.803 -0.035 0.000 0.798 616 Q CB 2.645 31.336 28.738 -0.079 0.000 1.286 616 Q HN 0.592 nan 8.270 nan 0.000 0.435 617 V N 5.203 125.060 119.914 -0.095 0.000 2.397 617 V HA 0.022 4.144 4.120 0.003 0.000 0.262 617 V C 0.938 176.942 176.094 -0.149 0.000 1.047 617 V CA 0.232 62.449 62.300 -0.138 0.000 1.003 617 V CB 0.960 32.724 31.823 -0.097 0.000 1.037 617 V HN 0.816 nan 8.190 nan 0.000 0.480 618 V N 4.660 124.450 119.914 -0.206 0.000 2.649 618 V HA 0.249 4.371 4.120 0.003 0.000 0.248 618 V C 0.929 176.919 176.094 -0.174 0.000 1.054 618 V CA 1.516 63.706 62.300 -0.183 0.000 1.073 618 V CB 0.321 32.014 31.823 -0.217 0.000 0.699 618 V HN 0.899 nan 8.190 nan 0.000 0.463 619 A N -0.462 122.222 122.820 -0.227 0.000 2.547 619 A HA 0.657 4.979 4.320 0.003 0.000 0.297 619 A C -0.787 176.694 177.584 -0.171 0.000 1.056 619 A CA -0.608 51.311 52.037 -0.198 0.000 0.688 619 A CB 1.556 20.462 19.000 -0.157 0.000 1.282 619 A HN 0.102 nan 8.150 nan 0.000 0.400 620 K N 1.683 121.965 120.400 -0.197 0.000 2.323 620 K HA 0.520 4.842 4.320 0.003 0.000 0.259 620 K C -1.541 174.866 176.600 -0.322 0.000 0.947 620 K CA -0.595 55.625 56.287 -0.111 0.000 0.819 620 K CB 1.039 33.552 32.500 0.022 0.000 1.109 620 K HN 0.847 nan 8.250 nan 0.000 0.429 621 H N 1.957 121.078 119.070 0.085 0.000 2.658 621 H HA 0.269 4.827 4.556 0.003 0.000 0.337 621 H C -1.092 174.308 175.328 0.120 0.000 1.009 621 H CA -0.558 55.552 56.048 0.104 0.000 1.231 621 H CB 1.751 31.723 29.762 0.350 0.000 1.508 621 H HN 0.178 nan 8.280 nan 0.000 0.517 622 V N 6.120 126.056 119.914 0.038 0.000 2.350 622 V HA 0.291 4.412 4.120 0.003 0.000 0.285 622 V C 0.156 176.334 176.094 0.139 0.000 1.014 622 V CA -0.695 61.654 62.300 0.083 0.000 0.831 622 V CB 1.534 33.345 31.823 -0.020 0.000 1.000 622 V HN 0.511 nan 8.190 nan 0.000 0.433 623 L N 2.563 123.955 121.223 0.282 0.000 2.354 623 L HA 1.028 5.370 4.340 0.003 0.000 0.264 623 L C -0.868 176.160 176.870 0.263 0.000 1.008 623 L CA -0.488 54.526 54.840 0.289 0.000 0.819 623 L CB 2.598 44.894 42.059 0.396 0.000 1.339 623 L HN 0.559 nan 8.230 nan 0.000 0.420 624 E N 2.383 122.727 120.200 0.240 0.000 2.281 624 E HA 0.343 4.695 4.350 0.003 0.000 0.266 624 E C -1.567 175.184 176.600 0.251 0.000 0.893 624 E CA -0.584 55.957 56.400 0.235 0.000 0.798 624 E CB 2.104 31.933 29.700 0.215 0.000 1.245 624 E HN 0.655 nan 8.360 nan 0.000 0.410 625 V N 5.993 126.049 119.914 0.236 0.000 2.389 625 V HA 0.338 4.460 4.120 0.003 0.000 0.264 625 V C -0.297 175.923 176.094 0.210 0.000 1.049 625 V CA -0.606 61.833 62.300 0.232 0.000 0.932 625 V CB 0.378 32.297 31.823 0.161 0.000 1.011 625 V HN 0.621 nan 8.190 nan 0.000 0.475 626 K N 5.868 126.383 120.400 0.193 0.000 2.436 626 K HA 0.223 4.545 4.320 0.003 0.000 0.282 626 K C -0.297 176.401 176.600 0.165 0.000 1.044 626 K CA -0.196 56.177 56.287 0.144 0.000 1.028 626 K CB 1.044 33.596 32.500 0.087 0.000 0.919 626 K HN 0.480 nan 8.250 nan 0.000 0.474 627 V N 2.621 122.615 119.914 0.134 0.000 2.953 627 V HA 0.603 4.724 4.120 0.003 0.000 0.304 627 V C 0.450 176.551 176.094 0.011 0.000 1.073 627 V CA 0.526 62.871 62.300 0.076 0.000 1.064 627 V CB 1.200 33.041 31.823 0.031 0.000 1.047 627 V HN 0.842 nan 8.190 nan 0.000 0.478 628 V N 0.000 119.885 119.914 -0.048 0.000 2.409 628 V HA 0.000 4.122 4.120 0.003 0.000 0.244 628 V CA 0.000 nan 62.300 nan 0.000 1.235 628 V CB 0.000 nan 31.823 nan 0.000 1.184 628 V HN 0.000 nan 8.190 nan 0.000 0.556