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 1n8y_1_C DATA FIRST_RESID 1 DATA SEQUENCE TQVcTGTDMK LRLPASPETH LDMLRHLYQG cQVVQGNLEL TYVPANASLS DATA SEQUENCE FLQDIQEVQG YMLIAHNQVK RVPLQRLRIV RGTQLFEDKY ALAVLDNRDP DATA SEQUENCE QXXXXXXXXX XXPEGLRELQ LRSLTEILKG GVLIRGNPQL cYQDMVLWKD DATA SEQUENCE VFRKNNQLAP VDIDTNRSRA cPPcAPAcKD NHcWGESPED cQILTGTIcT DATA SEQUENCE SGcARcKGRL PTDccHEQcA AGcTGPKHSD cLAcLHFNHS GIcELHcPAL DATA SEQUENCE VTYXXXXXES MHNPEGRYTF GAScVTTcPY NYLSTEVGSc TLVcPPNNQE DATA SEQUENCE VTAEDGTQRc EKcSKPcARV cYGLGMEHLR GARAITSDNV QEFDGcKKIF DATA SEQUENCE GSLAFLPESF DGDPSSGIAP LRPEQLQVFE TLEEITGYLY ISAWPDSLRD DATA SEQUENCE LSVFQNLRII RGRILHDGAY SLTLQGLGIH SLGLRSLREL GSGLALIHRN DATA SEQUENCE AHLCFVHTVP WDQLFRNPHQ ALLHSGNRPE EDCGLEGLVc NSLcAHGHcW DATA SEQUENCE GPGPTQcVNc SHFLRGQEcV EEcRVWKGLP REYVSDKRcL PcHPEcQPQN DATA SEQUENCE SSETcFGSEA DQcAAcAHYK DSSScVARcP SGVKPDLSYM PIWKYPDEEG DATA SEQUENCE IcQPCPIN 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.758 174.700 0.096 0.000 1.109 1 T CA 0.000 62.117 62.100 0.028 0.000 1.349 1 T CB 0.000 68.914 68.868 0.077 0.000 0.612 2 Q N -0.453 119.431 119.800 0.142 0.000 2.106 2 Q HA 0.531 4.871 4.340 -0.000 0.000 0.230 2 Q C -0.543 175.539 176.000 0.136 0.000 0.720 2 Q CA -0.162 55.716 55.803 0.126 0.000 0.899 2 Q CB 0.899 29.689 28.738 0.087 0.000 1.232 2 Q HN 0.466 nan 8.270 nan 0.000 0.461 3 V N 2.794 122.804 119.914 0.160 0.000 2.483 3 V HA 0.623 4.743 4.120 -0.000 0.000 0.295 3 V C 0.222 176.405 176.094 0.148 0.000 1.035 3 V CA -0.633 61.753 62.300 0.143 0.000 0.896 3 V CB 1.110 33.044 31.823 0.185 0.000 0.986 3 V HN 0.616 nan 8.190 nan 0.000 0.447 4 c N 2.000 120.631 118.600 0.051 0.000 3.318 4 c HA 0.874 5.444 4.570 -0.000 0.000 0.329 4 c C -0.137 173.929 174.090 -0.040 0.000 1.449 4 c CA -0.535 55.739 56.329 -0.092 0.000 1.397 4 c CB 1.628 43.883 42.510 -0.425 0.000 1.810 4 c HN 0.709 nan 8.230 nan 0.000 0.449 5 T N 0.851 115.339 114.554 -0.110 0.000 2.841 5 T HA 0.680 5.030 4.350 -0.000 0.000 0.283 5 T C 0.613 175.260 174.700 -0.089 0.000 1.000 5 T CA 0.481 62.555 62.100 -0.042 0.000 0.977 5 T CB 1.396 70.263 68.868 -0.000 0.000 0.979 5 T HN 1.216 nan 8.240 nan 0.000 0.446 6 G N 1.738 110.529 108.800 -0.014 0.000 2.504 6 G HA2 0.598 4.558 3.960 -0.000 0.000 0.257 6 G HA3 0.598 4.558 3.960 -0.000 0.000 0.257 6 G C 0.152 175.028 174.900 -0.041 0.000 1.451 6 G CA -0.128 44.990 45.100 0.030 0.000 1.059 6 G HN 0.847 nan 8.290 nan 0.000 0.550 7 T N -3.849 110.694 114.554 -0.020 0.000 2.831 7 T HA 0.568 4.918 4.350 -0.000 0.000 0.287 7 T C -1.490 173.197 174.700 -0.021 0.000 1.070 7 T CA -0.537 61.540 62.100 -0.038 0.000 1.010 7 T CB 2.422 71.283 68.868 -0.012 0.000 1.264 7 T HN 0.352 nan 8.240 nan 0.000 0.532 8 D N 0.306 120.706 120.400 -0.000 0.000 2.846 8 D HA 0.296 4.936 4.640 -0.000 0.000 0.279 8 D C 0.586 176.916 176.300 0.049 0.000 1.222 8 D CA -0.419 53.608 54.000 0.044 0.000 0.769 8 D CB 0.062 40.877 40.800 0.026 0.000 1.299 8 D HN 0.689 nan 8.370 nan 0.000 0.537 9 M N -1.069 118.592 119.600 0.102 0.000 2.304 9 M HA 0.387 4.867 4.480 -0.000 0.000 0.281 9 M C 0.836 177.236 176.300 0.166 0.000 1.014 9 M CA -0.356 55.000 55.300 0.094 0.000 1.054 9 M CB 0.346 33.011 32.600 0.108 0.000 1.551 9 M HN -0.134 nan 8.290 nan 0.000 0.548 10 K N 1.118 121.671 120.400 0.255 0.000 1.791 10 K HA -0.211 4.109 4.320 -0.000 0.000 0.140 10 K C 0.501 177.282 176.600 0.302 0.000 1.312 10 K CA 2.008 58.507 56.287 0.354 0.000 0.382 10 K CB -1.472 31.223 32.500 0.325 0.000 0.635 10 K HN 0.383 nan 8.250 nan 0.000 0.838 11 L N 1.278 122.681 121.223 0.300 0.000 2.653 11 L HA 0.174 4.514 4.340 -0.000 0.000 0.231 11 L C 0.552 177.563 176.870 0.235 0.000 1.153 11 L CA -0.189 54.821 54.840 0.283 0.000 0.933 11 L CB -0.049 42.184 42.059 0.289 0.000 1.175 11 L HN 0.222 nan 8.230 nan 0.000 0.473 12 R N 0.934 121.526 120.500 0.155 0.000 2.543 12 R HA 0.280 4.620 4.340 -0.000 0.000 0.277 12 R C -0.098 176.158 176.300 -0.074 0.000 1.074 12 R CA -0.415 55.712 56.100 0.046 0.000 1.076 12 R CB 0.726 31.044 30.300 0.030 0.000 0.993 12 R HN 0.121 nan 8.270 nan 0.000 0.459 13 L N 4.983 126.052 121.223 -0.256 0.000 2.559 13 L HA 0.024 4.364 4.340 -0.000 0.000 0.282 13 L C -1.559 175.095 176.870 -0.360 0.000 1.232 13 L CA -1.276 53.217 54.840 -0.579 0.000 0.885 13 L CB -0.085 41.725 42.059 -0.415 0.000 1.131 13 L HN 0.360 nan 8.230 nan 0.000 0.498 14 P HA -0.004 nan 4.420 nan 0.000 0.265 14 P C 0.128 177.353 177.300 -0.124 0.000 1.193 14 P CA -0.110 62.850 63.100 -0.233 0.000 0.765 14 P CB 0.942 32.393 31.700 -0.415 0.000 0.823 15 A N 2.683 125.489 122.820 -0.024 0.000 1.972 15 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 15 A C 1.415 179.031 177.584 0.054 0.000 1.169 15 A CA 1.429 53.485 52.037 0.032 0.000 0.635 15 A CB -0.413 18.627 19.000 0.067 0.000 0.810 15 A HN 0.529 nan 8.150 nan 0.000 0.446 16 S N -0.474 115.205 115.700 -0.034 0.000 2.399 16 S HA 0.428 4.898 4.470 -0.000 0.000 0.215 16 S C -1.837 172.774 174.600 0.019 0.000 1.456 16 S CA -1.326 56.861 58.200 -0.022 0.000 1.199 16 S CB 1.187 64.241 63.200 -0.243 0.000 1.063 16 S HN 0.208 nan 8.310 nan 0.000 0.476 17 P HA -0.094 nan 4.420 nan 0.000 0.217 17 P C 0.739 178.082 177.300 0.071 0.000 1.150 17 P CA 1.058 64.180 63.100 0.036 0.000 0.832 17 P CB 0.188 31.888 31.700 0.001 0.000 0.787 18 E N -0.878 119.351 120.200 0.048 0.000 2.333 18 E HA -0.103 4.247 4.350 -0.000 0.000 0.200 18 E C 1.562 178.179 176.600 0.029 0.000 1.010 18 E CA 1.430 57.852 56.400 0.038 0.000 0.841 18 E CB -0.629 29.090 29.700 0.031 0.000 0.757 18 E HN 0.245 nan 8.360 nan 0.000 0.508 19 T N -2.149 112.429 114.554 0.040 0.000 2.993 19 T HA 0.019 4.369 4.350 -0.000 0.000 0.260 19 T C 1.137 175.881 174.700 0.074 0.000 0.939 19 T CA -0.318 61.792 62.100 0.016 0.000 0.886 19 T CB -0.048 68.787 68.868 -0.055 0.000 1.209 19 T HN 0.310 nan 8.240 nan 0.000 0.518 20 H N 1.342 120.424 119.070 0.021 0.000 2.325 20 H HA -0.092 4.463 4.556 -0.000 0.000 0.293 20 H C 2.059 177.426 175.328 0.064 0.000 1.106 20 H CA 1.621 57.705 56.048 0.058 0.000 1.247 20 H CB -0.095 29.714 29.762 0.079 0.000 1.359 20 H HN 0.267 nan 8.280 nan 0.000 0.488 21 L N 0.205 121.457 121.223 0.048 0.000 2.017 21 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 21 L C 2.453 179.270 176.870 -0.089 0.000 1.073 21 L CA 1.463 56.312 54.840 0.016 0.000 0.745 21 L CB -0.465 41.660 42.059 0.109 0.000 0.894 21 L HN 0.289 nan 8.230 nan 0.000 0.432 22 D N -0.457 119.907 120.400 -0.060 0.000 2.133 22 D HA -0.265 4.375 4.640 -0.000 0.000 0.195 22 D C 2.129 178.367 176.300 -0.104 0.000 0.997 22 D CA 1.188 55.139 54.000 -0.081 0.000 0.840 22 D CB -0.049 40.746 40.800 -0.010 0.000 0.947 22 D HN 0.117 nan 8.370 nan 0.000 0.452 23 M N 0.073 119.613 119.600 -0.100 0.000 2.065 23 M HA -0.177 4.303 4.480 -0.000 0.000 0.259 23 M C 2.242 178.369 176.300 -0.289 0.000 1.071 23 M CA 1.321 56.534 55.300 -0.145 0.000 1.109 23 M CB -0.727 31.819 32.600 -0.089 0.000 1.313 23 M HN 0.074 nan 8.290 nan 0.000 0.408 24 L N -0.606 120.419 121.223 -0.330 0.000 2.043 24 L HA -0.284 4.055 4.340 -0.000 0.000 0.212 24 L C 2.771 179.178 176.870 -0.772 0.000 1.075 24 L CA 1.679 56.334 54.840 -0.308 0.000 0.752 24 L CB -0.848 41.194 42.059 -0.029 0.000 0.891 24 L HN 0.415 nan 8.230 nan 0.000 0.432 25 R N -0.520 119.321 120.500 -1.097 0.000 2.080 25 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 25 R C 2.298 178.185 176.300 -0.688 0.000 1.137 25 R CA 1.925 57.199 56.100 -1.377 0.000 0.943 25 R CB -0.291 29.484 30.300 -0.875 0.000 0.846 25 R HN 0.411 nan 8.270 nan 0.000 0.431 26 H N -0.170 118.647 119.070 -0.423 0.000 2.421 26 H HA -0.062 4.494 4.556 -0.000 0.000 0.298 26 H C 1.991 177.162 175.328 -0.261 0.000 1.087 26 H CA 1.704 57.587 56.048 -0.274 0.000 1.330 26 H CB 0.078 29.690 29.762 -0.251 0.000 1.388 26 H HN 0.170 nan 8.280 nan 0.000 0.526 27 L N -0.922 120.079 121.223 -0.370 0.000 2.109 27 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 27 L C 1.222 177.649 176.870 -0.739 0.000 1.086 27 L CA 1.307 55.740 54.840 -0.678 0.000 0.760 27 L CB -0.173 41.236 42.059 -1.083 0.000 0.910 27 L HN 0.406 nan 8.230 nan 0.000 0.437 28 Y N -1.660 118.540 120.300 -0.166 0.000 2.442 28 Y HA 0.131 4.681 4.550 -0.000 0.000 0.250 28 Y C 1.248 177.197 175.900 0.083 0.000 1.113 28 Y CA -0.622 57.457 58.100 -0.035 0.000 1.273 28 Y CB 0.415 38.934 38.460 0.099 0.000 1.138 28 Y HN 0.100 nan 8.280 nan 0.000 0.522 29 Q N 0.796 120.684 119.800 0.147 0.000 2.255 29 Q HA 0.253 4.593 4.340 -0.000 0.000 0.280 29 Q C 1.196 177.305 176.000 0.181 0.000 1.068 29 Q CA 1.231 57.128 55.803 0.157 0.000 0.911 29 Q CB 0.381 29.127 28.738 0.012 0.000 1.157 29 Q HN 0.617 nan 8.270 nan 0.000 0.380 30 G N 2.572 111.464 108.800 0.155 0.000 2.212 30 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.266 30 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.266 30 G C 0.224 175.220 174.900 0.160 0.000 0.978 30 G CA 0.055 45.230 45.100 0.125 0.000 0.632 30 G HN 0.830 nan 8.290 nan 0.000 0.537 31 c N 1.057 119.782 118.600 0.209 0.000 2.585 31 c HA 0.674 5.243 4.570 -0.000 0.000 0.406 31 c C 1.776 175.935 174.090 0.115 0.000 1.312 31 c CA 0.666 57.103 56.329 0.182 0.000 1.924 31 c CB 0.564 43.173 42.510 0.166 0.000 2.578 31 c HN 0.597 nan 8.230 nan 0.000 0.580 32 Q N 3.006 122.858 119.800 0.087 0.000 2.390 32 Q HA 0.211 4.551 4.340 -0.000 0.000 0.216 32 Q C -0.206 175.809 176.000 0.026 0.000 0.916 32 Q CA 0.592 56.422 55.803 0.046 0.000 0.911 32 Q CB 0.488 29.250 28.738 0.039 0.000 1.035 32 Q HN 0.669 nan 8.270 nan 0.000 0.541 33 V N 1.938 121.874 119.914 0.036 0.000 2.378 33 V HA 0.257 4.377 4.120 -0.000 0.000 0.288 33 V C -0.432 175.673 176.094 0.019 0.000 1.016 33 V CA -0.702 61.604 62.300 0.010 0.000 0.840 33 V CB 1.815 33.636 31.823 -0.004 0.000 0.994 33 V HN -0.080 nan 8.190 nan 0.000 0.431 34 V N 5.170 125.090 119.914 0.011 0.000 2.368 34 V HA 0.267 4.387 4.120 -0.000 0.000 0.266 34 V C 0.345 176.432 176.094 -0.011 0.000 1.045 34 V CA -0.278 62.042 62.300 0.033 0.000 0.899 34 V CB 1.081 32.928 31.823 0.039 0.000 1.006 34 V HN 0.894 nan 8.190 nan 0.000 0.470 35 Q N 3.732 123.525 119.800 -0.012 0.000 2.490 35 Q HA 0.561 4.901 4.340 -0.000 0.000 0.226 35 Q C 0.582 176.574 176.000 -0.013 0.000 1.132 35 Q CA 0.425 56.207 55.803 -0.035 0.000 0.928 35 Q CB 1.026 29.734 28.738 -0.050 0.000 1.299 35 Q HN 1.091 nan 8.270 nan 0.000 0.528 36 G N 2.324 111.101 108.800 -0.038 0.000 2.293 36 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.282 36 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.282 36 G C -1.422 173.395 174.900 -0.139 0.000 1.299 36 G CA -1.095 43.968 45.100 -0.063 0.000 1.018 36 G HN 0.496 nan 8.290 nan 0.000 0.478 37 N N 0.229 118.788 118.700 -0.236 0.000 2.421 37 N HA 0.504 5.244 4.740 -0.000 0.000 0.285 37 N C -0.823 174.559 175.510 -0.213 0.000 1.027 37 N CA -0.458 52.323 53.050 -0.449 0.000 0.918 37 N CB 2.214 40.106 38.487 -0.991 0.000 1.152 37 N HN 0.594 nan 8.380 nan 0.000 0.485 38 L N 2.020 123.136 121.223 -0.178 0.000 2.259 38 L HA 0.305 4.645 4.340 -0.000 0.000 0.288 38 L C -0.345 176.489 176.870 -0.060 0.000 1.051 38 L CA -0.120 54.649 54.840 -0.119 0.000 0.824 38 L CB -0.176 41.761 42.059 -0.203 0.000 1.206 38 L HN 0.430 nan 8.230 nan 0.000 0.429 39 E N 6.387 126.605 120.200 0.030 0.000 2.182 39 E HA 0.410 4.760 4.350 -0.000 0.000 0.258 39 E C -1.227 175.448 176.600 0.125 0.000 0.879 39 E CA -0.425 56.032 56.400 0.094 0.000 0.754 39 E CB 1.691 31.482 29.700 0.150 0.000 1.162 39 E HN 0.538 nan 8.360 nan 0.000 0.419 40 L N 3.384 124.657 121.223 0.084 0.000 2.294 40 L HA 0.464 4.804 4.340 -0.000 0.000 0.283 40 L C -0.199 176.749 176.870 0.129 0.000 1.015 40 L CA -0.430 54.476 54.840 0.111 0.000 0.831 40 L CB 1.277 43.353 42.059 0.027 0.000 1.217 40 L HN 0.552 nan 8.230 nan 0.000 0.420 41 T N -1.889 112.821 114.554 0.261 0.000 2.894 41 T HA 0.484 4.834 4.350 -0.000 0.000 0.309 41 T C -0.207 174.691 174.700 0.329 0.000 1.208 41 T CA -0.620 61.600 62.100 0.199 0.000 1.016 41 T CB 1.056 70.077 68.868 0.255 0.000 1.192 41 T HN 0.463 nan 8.240 nan 0.000 0.491 42 Y N -1.033 119.346 120.300 0.131 0.000 3.589 42 Y HA -0.169 4.381 4.550 -0.000 0.000 0.218 42 Y C 0.361 176.337 175.900 0.126 0.000 1.234 42 Y CA 0.044 58.185 58.100 0.069 0.000 1.576 42 Y CB -2.462 35.945 38.460 -0.089 0.000 1.487 42 Y HN 0.634 nan 8.280 nan 0.000 0.616 43 V N 2.104 122.154 119.914 0.226 0.000 2.461 43 V HA 0.265 4.385 4.120 -0.000 0.000 0.275 43 V C -1.621 174.551 176.094 0.130 0.000 1.047 43 V CA -1.643 60.777 62.300 0.200 0.000 0.955 43 V CB 1.175 33.089 31.823 0.151 0.000 0.988 43 V HN -0.052 nan 8.190 nan 0.000 0.471 44 P HA 0.276 nan 4.420 nan 0.000 0.277 44 P C 0.747 178.084 177.300 0.061 0.000 1.240 44 P CA -0.178 62.976 63.100 0.090 0.000 0.798 44 P CB 0.987 32.740 31.700 0.089 0.000 0.979 45 A N 2.807 125.655 122.820 0.046 0.000 1.925 45 A HA -0.320 4.000 4.320 -0.000 0.000 0.244 45 A C 1.588 179.186 177.584 0.024 0.000 1.963 45 A CA 2.618 54.673 52.037 0.030 0.000 0.753 45 A CB -1.535 17.482 19.000 0.028 0.000 0.842 45 A HN 0.661 nan 8.150 nan 0.000 0.530 46 N N -0.807 117.911 118.700 0.030 0.000 2.205 46 N HA 0.360 5.100 4.740 -0.000 0.000 0.201 46 N C 0.322 175.846 175.510 0.023 0.000 1.128 46 N CA 0.660 53.723 53.050 0.022 0.000 0.867 46 N CB -0.007 38.492 38.487 0.021 0.000 0.996 46 N HN 0.605 nan 8.380 nan 0.000 0.503 47 A N 1.050 123.892 122.820 0.036 0.000 2.565 47 A HA 0.067 4.387 4.320 -0.000 0.000 0.237 47 A C 0.785 178.374 177.584 0.008 0.000 1.053 47 A CA 0.204 52.268 52.037 0.045 0.000 0.755 47 A CB 0.068 19.112 19.000 0.073 0.000 0.980 47 A HN 0.161 nan 8.150 nan 0.000 0.506 48 S N 2.055 117.763 115.700 0.013 0.000 2.481 48 S HA 0.368 4.838 4.470 -0.000 0.000 0.276 48 S C 0.355 174.872 174.600 -0.138 0.000 1.247 48 S CA -0.490 57.688 58.200 -0.038 0.000 1.053 48 S CB -0.191 63.010 63.200 0.001 0.000 0.925 48 S HN 0.590 nan 8.310 nan 0.000 0.491 49 L N 4.864 125.902 121.223 -0.308 0.000 2.965 49 L HA 0.178 4.518 4.340 -0.000 0.000 0.254 49 L C 1.876 178.247 176.870 -0.832 0.000 1.220 49 L CA -0.030 54.384 54.840 -0.710 0.000 1.023 49 L CB 0.093 41.898 42.059 -0.424 0.000 1.355 49 L HN 0.860 nan 8.230 nan 0.000 0.545 50 S N -0.175 115.223 115.700 -0.504 0.000 2.522 50 S HA -0.142 4.328 4.470 -0.000 0.000 0.227 50 S C 1.647 176.138 174.600 -0.182 0.000 0.986 50 S CA 0.205 58.241 58.200 -0.274 0.000 0.929 50 S CB -0.457 62.670 63.200 -0.122 0.000 0.769 50 S HN 0.510 nan 8.310 nan 0.000 0.529 51 F N 0.793 120.736 119.950 -0.011 0.000 2.771 51 F HA 0.411 4.938 4.527 -0.000 0.000 0.299 51 F C 1.143 176.954 175.800 0.018 0.000 1.177 51 F CA -0.378 57.625 58.000 0.005 0.000 1.450 51 F CB -0.774 38.231 39.000 0.008 0.000 1.114 51 F HN 0.156 nan 8.300 nan 0.000 0.587 52 L N 0.996 122.153 121.223 -0.109 0.000 2.607 52 L HA 0.075 4.415 4.340 -0.000 0.000 0.228 52 L C 2.264 179.093 176.870 -0.069 0.000 1.123 52 L CA 0.190 54.992 54.840 -0.064 0.000 0.890 52 L CB -0.387 41.531 42.059 -0.235 0.000 1.103 52 L HN 0.354 nan 8.230 nan 0.000 0.468 53 Q N -1.239 118.530 119.800 -0.052 0.000 2.444 53 Q HA -0.073 4.266 4.340 -0.000 0.000 0.206 53 Q C 0.403 176.381 176.000 -0.036 0.000 0.948 53 Q CA 0.680 56.446 55.803 -0.063 0.000 0.946 53 Q CB 0.171 28.871 28.738 -0.063 0.000 1.027 53 Q HN 0.387 nan 8.270 nan 0.000 0.513 54 D N 0.846 121.244 120.400 -0.004 0.000 2.379 54 D HA 0.199 4.839 4.640 -0.000 0.000 0.208 54 D C 0.185 176.483 176.300 -0.005 0.000 1.065 54 D CA -0.101 53.901 54.000 0.005 0.000 0.848 54 D CB 0.564 41.386 40.800 0.035 0.000 0.949 54 D HN 0.282 nan 8.370 nan 0.000 0.509 55 I N 2.073 122.630 120.570 -0.021 0.000 2.664 55 I HA -0.104 4.066 4.170 -0.000 0.000 0.284 55 I C 1.384 177.467 176.117 -0.056 0.000 1.154 55 I CA 0.662 61.938 61.300 -0.041 0.000 1.402 55 I CB 0.518 38.462 38.000 -0.092 0.000 1.395 55 I HN -0.169 nan 8.210 nan 0.000 0.545 56 Q N 5.037 124.812 119.800 -0.041 0.000 2.317 56 Q HA 0.210 4.550 4.340 -0.000 0.000 0.220 56 Q C 0.162 176.132 176.000 -0.050 0.000 0.873 56 Q CA 0.114 55.889 55.803 -0.048 0.000 0.936 56 Q CB 1.055 29.773 28.738 -0.033 0.000 1.105 56 Q HN 0.669 nan 8.270 nan 0.000 0.520 57 E N 0.362 120.534 120.200 -0.046 0.000 2.335 57 E HA 0.364 4.714 4.350 -0.000 0.000 0.280 57 E C -1.765 174.807 176.600 -0.048 0.000 0.918 57 E CA -0.505 55.867 56.400 -0.045 0.000 0.765 57 E CB 2.266 31.943 29.700 -0.039 0.000 1.218 57 E HN -0.127 nan 8.360 nan 0.000 0.425 58 V N 5.031 124.917 119.914 -0.047 0.000 2.409 58 V HA 0.142 4.262 4.120 -0.000 0.000 0.291 58 V C 1.024 177.096 176.094 -0.037 0.000 1.020 58 V CA -0.376 61.895 62.300 -0.048 0.000 0.848 58 V CB 1.433 33.224 31.823 -0.052 0.000 0.990 58 V HN 0.844 nan 8.190 nan 0.000 0.430 59 Q N 3.934 123.707 119.800 -0.046 0.000 2.137 59 Q HA 0.051 4.391 4.340 -0.000 0.000 0.198 59 Q C 1.311 177.297 176.000 -0.023 0.000 0.960 59 Q CA 1.537 57.315 55.803 -0.042 0.000 0.847 59 Q CB 0.216 28.918 28.738 -0.060 0.000 0.915 59 Q HN 0.902 nan 8.270 nan 0.000 0.448 60 G N 0.044 108.817 108.800 -0.045 0.000 3.286 60 G HA2 0.195 4.155 3.960 -0.000 0.000 0.173 60 G HA3 0.195 4.155 3.960 -0.000 0.000 0.173 60 G C -0.453 174.469 174.900 0.037 0.000 1.704 60 G CA 0.098 45.176 45.100 -0.037 0.000 1.041 60 G HN 0.408 nan 8.290 nan 0.000 0.561 61 Y N -1.459 118.882 120.300 0.068 0.000 2.568 61 Y HA 0.760 5.310 4.550 -0.000 0.000 0.327 61 Y C 0.019 175.943 175.900 0.041 0.000 1.163 61 Y CA -1.939 56.207 58.100 0.077 0.000 1.219 61 Y CB 1.372 39.913 38.460 0.135 0.000 1.308 61 Y HN 0.530 nan 8.280 nan 0.000 0.503 62 M N 3.413 123.191 119.600 0.297 0.000 2.243 62 M HA 0.639 5.119 4.480 -0.000 0.000 0.324 62 M C -2.405 174.004 176.300 0.181 0.000 1.031 62 M CA -0.879 54.514 55.300 0.154 0.000 0.949 62 M CB 1.865 34.486 32.600 0.035 0.000 1.615 62 M HN 0.770 nan 8.290 nan 0.000 0.430 63 L N 6.552 127.856 121.223 0.136 0.000 2.349 63 L HA 0.677 5.017 4.340 -0.000 0.000 0.278 63 L C -1.833 175.007 176.870 -0.050 0.000 0.996 63 L CA -0.352 54.472 54.840 -0.028 0.000 0.825 63 L CB 1.570 43.610 42.059 -0.032 0.000 1.243 63 L HN 0.873 nan 8.230 nan 0.000 0.412 64 I N 5.802 126.313 120.570 -0.098 0.000 2.405 64 I HA 0.724 4.894 4.170 -0.000 0.000 0.280 64 I C -0.270 175.770 176.117 -0.128 0.000 1.027 64 I CA -0.382 60.869 61.300 -0.081 0.000 1.161 64 I CB 1.322 39.281 38.000 -0.067 0.000 1.300 64 I HN 0.786 nan 8.210 nan 0.000 0.463 65 A N 4.232 126.980 122.820 -0.120 0.000 2.475 65 A HA 0.616 4.936 4.320 -0.000 0.000 0.301 65 A C 0.218 177.675 177.584 -0.211 0.000 1.059 65 A CA -0.404 51.519 52.037 -0.191 0.000 0.710 65 A CB 0.786 19.715 19.000 -0.119 0.000 1.288 65 A HN 0.819 nan 8.150 nan 0.000 0.408 66 H N 0.032 118.918 119.070 -0.306 0.000 2.921 66 H HA -0.146 4.410 4.556 -0.000 0.000 0.281 66 H C 0.055 175.186 175.328 -0.329 0.000 1.165 66 H CA 1.277 57.065 56.048 -0.432 0.000 1.151 66 H CB -1.420 27.764 29.762 -0.964 0.000 1.311 66 H HN 0.747 nan 8.280 nan 0.000 0.361 67 N N 1.436 120.067 118.700 -0.116 0.000 2.493 67 N HA 0.077 4.817 4.740 -0.000 0.000 0.275 67 N C 1.343 176.841 175.510 -0.020 0.000 1.186 67 N CA -0.274 52.755 53.050 -0.035 0.000 0.978 67 N CB 0.896 39.373 38.487 -0.017 0.000 1.184 67 N HN 0.288 nan 8.380 nan 0.000 0.487 68 Q N -0.387 119.420 119.800 0.012 0.000 2.319 68 Q HA 0.108 4.448 4.340 -0.000 0.000 0.209 68 Q C 0.757 176.761 176.000 0.006 0.000 0.884 68 Q CA 0.045 55.854 55.803 0.010 0.000 0.938 68 Q CB -0.374 28.380 28.738 0.026 0.000 1.098 68 Q HN 0.550 nan 8.270 nan 0.000 0.517 69 V N 0.180 120.097 119.914 0.005 0.000 3.032 69 V HA 0.029 4.149 4.120 -0.000 0.000 0.307 69 V C 1.190 177.279 176.094 -0.009 0.000 1.097 69 V CA -0.135 62.164 62.300 -0.003 0.000 1.191 69 V CB 0.549 32.365 31.823 -0.012 0.000 0.964 69 V HN 0.043 nan 8.190 nan 0.000 0.494 70 K N 1.627 122.022 120.400 -0.009 0.000 2.305 70 K HA 0.113 4.433 4.320 -0.000 0.000 0.199 70 K C 0.795 177.391 176.600 -0.007 0.000 1.047 70 K CA 0.527 56.812 56.287 -0.005 0.000 0.976 70 K CB 0.115 32.615 32.500 -0.000 0.000 0.765 70 K HN 0.717 nan 8.250 nan 0.000 0.474 71 R N 0.538 121.026 120.500 -0.021 0.000 2.621 71 R HA 0.256 4.596 4.340 -0.000 0.000 0.284 71 R C -1.807 174.459 176.300 -0.056 0.000 0.998 71 R CA -0.426 55.655 56.100 -0.031 0.000 0.895 71 R CB 1.866 32.145 30.300 -0.035 0.000 1.195 71 R HN -0.226 nan 8.270 nan 0.000 0.450 72 V N 6.558 126.434 119.914 -0.064 0.000 2.304 72 V HA 0.427 4.547 4.120 -0.000 0.000 0.278 72 V C -1.998 174.025 176.094 -0.119 0.000 1.018 72 V CA -1.465 60.777 62.300 -0.096 0.000 0.814 72 V CB 1.633 33.406 31.823 -0.084 0.000 1.021 72 V HN 0.795 nan 8.190 nan 0.000 0.440 73 P HA 0.213 nan 4.420 nan 0.000 0.244 73 P C -0.120 177.089 177.300 -0.151 0.000 1.769 73 P CA 0.136 63.152 63.100 -0.140 0.000 1.102 73 P CB 0.200 31.813 31.700 -0.146 0.000 1.937 74 L N 2.529 123.660 121.223 -0.154 0.000 3.084 74 L HA 0.123 4.463 4.340 -0.000 0.000 0.238 74 L C 1.848 178.610 176.870 -0.180 0.000 1.327 74 L CA -0.213 54.528 54.840 -0.165 0.000 1.094 74 L CB 0.205 42.160 42.059 -0.174 0.000 1.477 74 L HN 0.129 nan 8.230 nan 0.000 0.514 75 Q N -0.473 119.232 119.800 -0.157 0.000 2.472 75 Q HA -0.052 4.288 4.340 -0.000 0.000 0.208 75 Q C 1.335 177.247 176.000 -0.146 0.000 0.958 75 Q CA 0.717 56.420 55.803 -0.166 0.000 0.932 75 Q CB -0.077 28.582 28.738 -0.132 0.000 1.007 75 Q HN 0.476 nan 8.270 nan 0.000 0.508 76 R N 0.326 120.752 120.500 -0.124 0.000 2.362 76 R HA 0.231 4.571 4.340 -0.000 0.000 0.227 76 R C -0.006 176.231 176.300 -0.105 0.000 0.905 76 R CA -0.373 55.667 56.100 -0.100 0.000 1.067 76 R CB 0.303 30.560 30.300 -0.072 0.000 1.078 76 R HN 0.079 nan 8.270 nan 0.000 0.516 77 L N 1.506 122.648 121.223 -0.136 0.000 2.433 77 L HA 0.062 4.402 4.340 -0.000 0.000 0.275 77 L C 0.907 177.699 176.870 -0.129 0.000 1.128 77 L CA 0.580 55.342 54.840 -0.130 0.000 0.875 77 L CB 0.482 42.450 42.059 -0.151 0.000 1.171 77 L HN -0.043 nan 8.230 nan 0.000 0.463 78 R N 4.772 125.219 120.500 -0.088 0.000 2.195 78 R HA 0.404 4.744 4.340 -0.000 0.000 0.197 78 R C -0.165 176.106 176.300 -0.048 0.000 0.990 78 R CA 0.221 56.279 56.100 -0.070 0.000 1.048 78 R CB 0.660 30.930 30.300 -0.051 0.000 0.997 78 R HN 0.653 nan 8.270 nan 0.000 0.502 79 I N 0.471 121.017 120.570 -0.039 0.000 2.722 79 I HA 0.244 4.414 4.170 -0.000 0.000 0.292 79 I C -1.770 174.342 176.117 -0.009 0.000 1.267 79 I CA -0.867 60.424 61.300 -0.015 0.000 1.036 79 I CB 2.399 40.387 38.000 -0.020 0.000 1.281 79 I HN -0.308 nan 8.210 nan 0.000 0.423 80 V N 7.956 127.885 119.914 0.025 0.000 2.409 80 V HA 0.458 4.578 4.120 -0.000 0.000 0.291 80 V C 0.870 176.992 176.094 0.047 0.000 1.020 80 V CA -0.476 61.847 62.300 0.039 0.000 0.848 80 V CB 1.440 33.309 31.823 0.078 0.000 0.990 80 V HN 0.805 nan 8.190 nan 0.000 0.430 81 R N 3.212 123.724 120.500 0.020 0.000 2.161 81 R HA 0.173 4.513 4.340 -0.000 0.000 0.213 81 R C 1.556 177.877 176.300 0.036 0.000 1.055 81 R CA 0.665 56.770 56.100 0.008 0.000 0.996 81 R CB 0.078 30.360 30.300 -0.030 0.000 0.901 81 R HN 1.041 nan 8.270 nan 0.000 0.456 82 G N 1.830 110.670 108.800 0.067 0.000 2.295 82 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.287 82 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.287 82 G C 0.817 175.760 174.900 0.072 0.000 1.055 82 G CA 0.775 45.934 45.100 0.097 0.000 0.922 82 G HN 0.482 nan 8.290 nan 0.000 0.503 83 T N -3.603 110.983 114.554 0.053 0.000 2.962 83 T HA 0.181 4.531 4.350 -0.000 0.000 0.270 83 T C 0.911 175.655 174.700 0.073 0.000 1.088 83 T CA 1.802 63.930 62.100 0.046 0.000 1.127 83 T CB 0.226 69.112 68.868 0.029 0.000 0.883 83 T HN 0.650 nan 8.240 nan 0.000 0.493 84 Q N -0.049 119.820 119.800 0.115 0.000 2.394 84 Q HA 0.775 5.115 4.340 -0.000 0.000 0.273 84 Q C -1.369 174.826 176.000 0.327 0.000 1.089 84 Q CA -0.693 55.223 55.803 0.189 0.000 0.812 84 Q CB 2.796 31.654 28.738 0.201 0.000 1.353 84 Q HN 0.262 nan 8.270 nan 0.000 0.438 85 L N 1.419 122.800 121.223 0.265 0.000 2.381 85 L HA 0.558 4.897 4.340 -0.000 0.000 0.268 85 L C -0.965 175.877 176.870 -0.045 0.000 0.997 85 L CA -0.995 53.940 54.840 0.159 0.000 0.818 85 L CB 1.327 43.396 42.059 0.016 0.000 1.310 85 L HN 0.572 nan 8.230 nan 0.000 0.416 86 F N 2.287 121.945 119.950 -0.487 0.000 2.456 86 F HA 0.134 4.661 4.527 -0.000 0.000 0.358 86 F C 1.083 176.759 175.800 -0.206 0.000 1.095 86 F CA -0.008 57.611 58.000 -0.635 0.000 1.216 86 F CB 0.269 38.816 39.000 -0.755 0.000 1.125 86 F HN 0.680 nan 8.300 nan 0.000 0.549 87 E N 3.491 123.161 120.200 -0.883 0.000 2.539 87 E HA -0.331 4.019 4.350 -0.000 0.000 0.253 87 E C -0.137 176.260 176.600 -0.338 0.000 1.145 87 E CA 0.894 56.946 56.400 -0.581 0.000 0.738 87 E CB -1.095 28.310 29.700 -0.492 0.000 1.308 87 E HN 0.812 nan 8.360 nan 0.000 0.409 88 D N -1.334 118.911 120.400 -0.258 0.000 3.039 88 D HA -0.245 4.395 4.640 -0.000 0.000 0.222 88 D C 0.909 177.068 176.300 -0.234 0.000 1.179 88 D CA 2.007 55.900 54.000 -0.179 0.000 0.880 88 D CB -0.802 39.911 40.800 -0.145 0.000 1.115 88 D HN 0.768 nan 8.370 nan 0.000 0.416 89 K N -1.572 118.616 120.400 -0.352 0.000 2.608 89 K HA 0.063 4.383 4.320 -0.000 0.000 0.209 89 K C -0.210 176.064 176.600 -0.545 0.000 1.369 89 K CA -0.301 55.681 56.287 -0.508 0.000 1.029 89 K CB 0.658 32.741 32.500 -0.695 0.000 1.139 89 K HN 0.100 nan 8.250 nan 0.000 0.623 90 Y N 0.486 120.783 120.300 -0.006 0.000 2.376 90 Y HA 0.484 5.034 4.550 -0.000 0.000 0.340 90 Y C 1.036 176.980 175.900 0.074 0.000 0.965 90 Y CA -0.916 57.202 58.100 0.030 0.000 1.078 90 Y CB 2.267 40.766 38.460 0.064 0.000 1.193 90 Y HN 0.054 nan 8.280 nan 0.000 0.452 91 A N 2.728 125.707 122.820 0.265 0.000 2.016 91 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 91 A C -0.031 177.700 177.584 0.246 0.000 1.162 91 A CA 0.862 53.052 52.037 0.254 0.000 0.662 91 A CB 0.141 19.274 19.000 0.222 0.000 0.812 91 A HN 0.544 nan 8.150 nan 0.000 0.450 92 L N -1.160 120.182 121.223 0.199 0.000 2.439 92 L HA 0.744 5.084 4.340 -0.000 0.000 0.270 92 L C -0.808 176.052 176.870 -0.016 0.000 0.972 92 L CA -0.338 54.563 54.840 0.102 0.000 0.836 92 L CB 1.747 43.872 42.059 0.110 0.000 1.255 92 L HN 0.154 nan 8.230 nan 0.000 0.404 93 A N 4.816 127.579 122.820 -0.094 0.000 2.385 93 A HA 0.782 5.102 4.320 -0.000 0.000 0.290 93 A C -1.617 175.828 177.584 -0.232 0.000 1.094 93 A CA -0.479 51.409 52.037 -0.249 0.000 0.729 93 A CB 1.635 20.376 19.000 -0.433 0.000 1.194 93 A HN 0.508 nan 8.150 nan 0.000 0.442 94 V N 4.408 124.201 119.914 -0.200 0.000 2.357 94 V HA 0.408 4.528 4.120 -0.000 0.000 0.281 94 V C -0.554 175.435 176.094 -0.176 0.000 1.015 94 V CA -0.083 62.126 62.300 -0.151 0.000 0.827 94 V CB 0.749 32.529 31.823 -0.072 0.000 1.018 94 V HN 0.769 nan 8.190 nan 0.000 0.432 95 L N 3.613 124.706 121.223 -0.217 0.000 2.362 95 L HA 0.625 4.965 4.340 -0.000 0.000 0.275 95 L C 0.136 176.803 176.870 -0.338 0.000 0.998 95 L CA -0.658 54.035 54.840 -0.245 0.000 0.820 95 L CB 1.885 43.799 42.059 -0.242 0.000 1.270 95 L HN 0.546 nan 8.230 nan 0.000 0.415 96 D N 1.160 121.387 120.400 -0.289 0.000 2.837 96 D HA -0.181 4.459 4.640 -0.000 0.000 0.230 96 D C -0.097 176.014 176.300 -0.315 0.000 1.152 96 D CA 0.754 54.548 54.000 -0.344 0.000 0.736 96 D CB -0.795 39.654 40.800 -0.585 0.000 1.084 96 D HN 0.556 nan 8.370 nan 0.000 0.429 97 N N 1.478 120.053 118.700 -0.209 0.000 2.739 97 N HA 0.056 4.796 4.740 -0.000 0.000 0.266 97 N C 0.765 176.225 175.510 -0.083 0.000 1.168 97 N CA 0.342 53.310 53.050 -0.137 0.000 1.055 97 N CB 0.541 38.965 38.487 -0.105 0.000 1.393 97 N HN 0.522 nan 8.380 nan 0.000 0.514 98 R N -0.217 120.242 120.500 -0.069 0.000 2.766 98 R HA 0.352 4.692 4.340 -0.000 0.000 0.270 98 R C -1.693 174.601 176.300 -0.010 0.000 1.035 98 R CA -0.725 55.354 56.100 -0.035 0.000 0.911 98 R CB 1.022 31.299 30.300 -0.038 0.000 1.243 98 R HN 0.022 nan 8.270 nan 0.000 0.460 99 D N 0.117 120.518 120.400 0.002 0.000 2.326 99 D HA 0.367 5.007 4.640 -0.000 0.000 0.248 99 D C -2.220 174.091 176.300 0.019 0.000 1.001 99 D CA -2.198 51.812 54.000 0.017 0.000 0.961 99 D CB 1.081 41.892 40.800 0.018 0.000 1.183 99 D HN 0.314 nan 8.370 nan 0.000 0.502 100 P HA 0.096 nan 4.420 nan 0.000 0.225 100 P C -0.139 177.172 177.300 0.019 0.000 1.768 100 P CA -0.139 62.977 63.100 0.026 0.000 0.943 100 P CB -0.178 31.543 31.700 0.035 0.000 1.936 114 E N 0.559 120.761 120.200 0.003 0.000 2.254 114 E HA 0.793 5.142 4.350 -0.000 0.000 0.258 114 E C -0.112 176.487 176.600 -0.002 0.000 1.033 114 E CA -0.238 56.164 56.400 0.003 0.000 0.893 114 E CB 1.347 31.052 29.700 0.008 0.000 1.204 114 E HN 0.859 nan 8.360 nan 0.000 0.425 115 G N 0.323 109.121 108.800 -0.004 0.000 2.697 115 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.684 115 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.684 115 G C -1.293 173.601 174.900 -0.010 0.000 1.274 115 G CA -1.060 44.032 45.100 -0.013 0.000 0.806 115 G HN 0.415 nan 8.290 nan 0.000 0.644 116 L N 1.193 122.407 121.223 -0.016 0.000 2.615 116 L HA 0.303 4.643 4.340 -0.000 0.000 0.284 116 L C 1.739 178.615 176.870 0.010 0.000 1.237 116 L CA 1.160 55.997 54.840 -0.006 0.000 0.905 116 L CB 0.296 42.347 42.059 -0.013 0.000 1.149 116 L HN 0.715 nan 8.230 nan 0.000 0.499 117 R N 2.508 123.024 120.500 0.026 0.000 2.191 117 R HA 0.297 4.637 4.340 -0.000 0.000 0.196 117 R C -0.180 176.177 176.300 0.094 0.000 0.991 117 R CA 0.176 56.304 56.100 0.046 0.000 1.075 117 R CB 0.395 30.720 30.300 0.043 0.000 1.040 117 R HN 0.660 nan 8.270 nan 0.000 0.526 118 E N -0.161 120.103 120.200 0.106 0.000 2.383 118 E HA 0.246 4.596 4.350 -0.000 0.000 0.275 118 E C -0.074 176.608 176.600 0.137 0.000 0.918 118 E CA -0.364 56.139 56.400 0.172 0.000 0.764 118 E CB 2.618 32.420 29.700 0.169 0.000 1.252 118 E HN -0.091 nan 8.360 nan 0.000 0.449 119 L N 0.995 122.344 121.223 0.209 0.000 2.249 119 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 119 L C 0.605 177.515 176.870 0.067 0.000 1.090 119 L CA 0.536 55.480 54.840 0.173 0.000 0.802 119 L CB 0.014 42.269 42.059 0.327 0.000 0.947 119 L HN 0.648 nan 8.230 nan 0.000 0.453 120 Q N 0.165 120.040 119.800 0.125 0.000 2.461 120 Q HA -0.222 4.118 4.340 -0.000 0.000 0.264 120 Q C 0.154 175.971 176.000 -0.306 0.000 1.085 120 Q CA 0.328 56.113 55.803 -0.029 0.000 1.006 120 Q CB -1.793 26.918 28.738 -0.044 0.000 1.437 120 Q HN 0.498 nan 8.270 nan 0.000 0.514 121 L N 1.059 121.869 121.223 -0.689 0.000 2.803 121 L HA 0.041 4.381 4.340 -0.000 0.000 0.241 121 L C 1.827 177.901 176.870 -1.326 0.000 1.404 121 L CA 0.244 54.453 54.840 -1.051 0.000 1.211 121 L CB -0.454 40.838 42.059 -1.278 0.000 1.585 121 L HN 0.258 nan 8.230 nan 0.000 0.430 122 R N -2.288 117.771 120.500 -0.735 0.000 2.280 122 R HA -0.014 4.326 4.340 -0.000 0.000 0.207 122 R C 1.470 177.615 176.300 -0.258 0.000 1.043 122 R CA 0.686 56.529 56.100 -0.428 0.000 1.006 122 R CB -0.249 29.963 30.300 -0.147 0.000 0.885 122 R HN 0.148 nan 8.270 nan 0.000 0.467 123 S N 0.450 115.977 115.700 -0.289 0.000 2.535 123 S HA 0.142 4.612 4.470 -0.000 0.000 0.214 123 S C 0.123 174.620 174.600 -0.173 0.000 0.980 123 S CA -0.491 57.601 58.200 -0.180 0.000 0.907 123 S CB 0.189 63.301 63.200 -0.147 0.000 0.790 123 S HN 0.182 nan 8.310 nan 0.000 0.510 124 L N 4.038 125.096 121.223 -0.275 0.000 2.454 124 L HA 0.233 4.573 4.340 -0.000 0.000 0.284 124 L C 0.946 177.791 176.870 -0.041 0.000 1.139 124 L CA 0.580 55.314 54.840 -0.178 0.000 0.911 124 L CB -0.189 41.709 42.059 -0.268 0.000 1.262 124 L HN 0.111 nan 8.230 nan 0.000 0.453 125 T N 0.164 114.708 114.554 -0.015 0.000 3.129 125 T HA 0.372 4.722 4.350 -0.000 0.000 0.267 125 T C 0.280 175.001 174.700 0.034 0.000 1.018 125 T CA -0.293 61.819 62.100 0.020 0.000 0.903 125 T CB -0.068 68.804 68.868 0.006 0.000 1.067 125 T HN 0.455 nan 8.240 nan 0.000 0.549 126 E N 0.644 120.870 120.200 0.044 0.000 2.307 126 E HA 0.536 4.886 4.350 -0.000 0.000 0.280 126 E C -1.823 174.838 176.600 0.103 0.000 0.900 126 E CA -0.529 55.910 56.400 0.066 0.000 0.790 126 E CB 1.268 30.987 29.700 0.031 0.000 1.261 126 E HN 0.366 nan 8.360 nan 0.000 0.405 127 I N 7.078 127.754 120.570 0.177 0.000 2.464 127 I HA 0.186 4.356 4.170 -0.000 0.000 0.277 127 I C 0.895 177.131 176.117 0.199 0.000 1.040 127 I CA -0.396 61.045 61.300 0.234 0.000 1.153 127 I CB 0.972 39.222 38.000 0.417 0.000 1.274 127 I HN 0.642 nan 8.210 nan 0.000 0.469 128 L N 4.331 125.613 121.223 0.098 0.000 2.079 128 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 128 L C 0.680 177.573 176.870 0.039 0.000 1.081 128 L CA 1.569 56.437 54.840 0.047 0.000 0.752 128 L CB -0.362 41.690 42.059 -0.011 0.000 0.896 128 L HN 0.494 nan 8.230 nan 0.000 0.433 129 K N -1.370 119.057 120.400 0.046 0.000 2.523 129 K HA 0.553 4.873 4.320 -0.000 0.000 0.257 129 K C -0.449 176.155 176.600 0.007 0.000 0.932 129 K CA 0.005 56.294 56.287 0.003 0.000 0.812 129 K CB 2.327 34.827 32.500 0.001 0.000 1.326 129 K HN 0.080 nan 8.250 nan 0.000 0.433 130 G N 0.507 109.263 108.800 -0.075 0.000 2.746 130 G HA2 0.070 4.030 3.960 -0.000 0.000 0.685 130 G HA3 0.070 4.030 3.960 -0.000 0.000 0.685 130 G C -0.120 174.712 174.900 -0.113 0.000 1.350 130 G CA -0.525 44.528 45.100 -0.079 0.000 0.837 130 G HN 0.848 nan 8.290 nan 0.000 0.564 131 G N -1.766 107.014 108.800 -0.033 0.000 3.039 131 G HA2 0.867 4.827 3.960 -0.000 0.000 0.159 131 G HA3 0.867 4.827 3.960 -0.000 0.000 0.159 131 G C -0.785 174.320 174.900 0.342 0.000 1.284 131 G CA 0.184 45.318 45.100 0.056 0.000 0.996 131 G HN 1.668 nan 8.290 nan 0.000 0.592 132 V N 0.116 120.188 119.914 0.263 0.000 2.686 132 V HA 0.581 4.701 4.120 -0.000 0.000 0.306 132 V C -1.339 174.565 176.094 -0.317 0.000 1.065 132 V CA -0.506 61.750 62.300 -0.075 0.000 0.894 132 V CB 1.732 33.270 31.823 -0.474 0.000 1.004 132 V HN 0.632 nan 8.190 nan 0.000 0.424 133 L N 6.332 127.230 121.223 -0.542 0.000 2.406 133 L HA 0.739 5.079 4.340 -0.000 0.000 0.272 133 L C -1.144 175.500 176.870 -0.376 0.000 0.980 133 L CA 0.098 54.530 54.840 -0.679 0.000 0.831 133 L CB 1.430 42.724 42.059 -1.275 0.000 1.253 133 L HN 0.605 nan 8.230 nan 0.000 0.406 134 I N 5.685 126.096 120.570 -0.265 0.000 2.497 134 I HA 0.550 4.720 4.170 -0.000 0.000 0.284 134 I C -0.683 175.355 176.117 -0.132 0.000 1.060 134 I CA -0.532 60.670 61.300 -0.163 0.000 1.071 134 I CB 1.622 39.564 38.000 -0.097 0.000 1.216 134 I HN 0.629 nan 8.210 nan 0.000 0.442 135 R N 4.267 124.692 120.500 -0.125 0.000 2.566 135 R HA 0.546 4.886 4.340 -0.000 0.000 0.271 135 R C 0.188 176.429 176.300 -0.098 0.000 1.071 135 R CA 0.003 56.043 56.100 -0.099 0.000 0.915 135 R CB 2.137 32.380 30.300 -0.096 0.000 1.228 135 R HN 0.795 nan 8.270 nan 0.000 0.449 136 G N 2.820 111.574 108.800 -0.077 0.000 2.182 136 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 136 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 136 G C -0.826 174.023 174.900 -0.084 0.000 1.042 136 G CA 0.080 45.134 45.100 -0.077 0.000 0.775 136 G HN 0.648 nan 8.290 nan 0.000 0.501 137 N N 0.479 119.137 118.700 -0.070 0.000 2.936 137 N HA 0.319 5.059 4.740 -0.000 0.000 0.243 137 N C -2.191 173.294 175.510 -0.042 0.000 1.149 137 N CA -1.185 51.828 53.050 -0.061 0.000 0.914 137 N CB 1.887 40.342 38.487 -0.054 0.000 1.179 137 N HN 0.101 nan 8.380 nan 0.000 0.502 138 P HA 0.016 nan 4.420 nan 0.000 0.242 138 P C 0.750 178.033 177.300 -0.027 0.000 1.197 138 P CA 0.905 63.986 63.100 -0.031 0.000 0.765 138 P CB 0.560 32.243 31.700 -0.027 0.000 0.936 139 Q N -1.278 118.508 119.800 -0.023 0.000 2.217 139 Q HA 0.219 4.559 4.340 -0.000 0.000 0.217 139 Q C 0.470 176.462 176.000 -0.014 0.000 0.844 139 Q CA -0.238 55.554 55.803 -0.017 0.000 0.957 139 Q CB 0.528 29.260 28.738 -0.010 0.000 1.127 139 Q HN 0.335 nan 8.270 nan 0.000 0.503 140 L N 1.040 122.254 121.223 -0.014 0.000 2.331 140 L HA 0.243 4.583 4.340 -0.000 0.000 0.278 140 L C -0.682 176.174 176.870 -0.023 0.000 1.106 140 L CA 0.066 54.909 54.840 0.004 0.000 0.824 140 L CB 0.775 42.841 42.059 0.011 0.000 1.142 140 L HN 0.133 nan 8.230 nan 0.000 0.443 141 c N 2.501 121.092 118.600 -0.016 0.000 2.848 141 c HA 0.499 5.069 4.570 -0.000 0.000 0.317 141 c C -0.054 174.019 174.090 -0.030 0.000 1.260 141 c CA -0.480 55.746 56.329 -0.172 0.000 1.656 141 c CB 1.329 43.592 42.510 -0.411 0.000 2.174 141 c HN 0.988 nan 8.230 nan 0.000 0.479 142 Y N -1.142 119.156 120.300 -0.004 0.000 4.943 142 Y HA -0.308 4.242 4.550 -0.000 0.000 0.258 142 Y C 1.706 177.568 175.900 -0.063 0.000 0.930 142 Y CA 0.976 59.050 58.100 -0.043 0.000 1.902 142 Y CB -1.996 36.443 38.460 -0.035 0.000 1.386 142 Y HN 0.822 nan 8.280 nan 0.000 0.558 143 Q N 0.927 120.791 119.800 0.106 0.000 2.297 143 Q HA -0.078 4.262 4.340 -0.000 0.000 0.204 143 Q C 1.151 177.268 176.000 0.195 0.000 0.962 143 Q CA 1.423 57.334 55.803 0.179 0.000 0.879 143 Q CB -0.080 28.744 28.738 0.144 0.000 0.947 143 Q HN 0.652 nan 8.270 nan 0.000 0.462 144 D N -0.572 119.877 120.400 0.082 0.000 2.395 144 D HA 0.033 4.673 4.640 -0.000 0.000 0.213 144 D C 0.958 177.266 176.300 0.013 0.000 1.110 144 D CA 0.077 54.127 54.000 0.085 0.000 0.835 144 D CB 0.238 41.065 40.800 0.044 0.000 0.965 144 D HN 0.177 nan 8.370 nan 0.000 0.505 145 M N 0.627 120.192 119.600 -0.058 0.000 2.405 145 M HA 0.205 4.685 4.480 -0.000 0.000 0.292 145 M C -0.107 176.044 176.300 -0.248 0.000 1.111 145 M CA -0.155 55.107 55.300 -0.063 0.000 0.979 145 M CB 1.553 34.167 32.600 0.023 0.000 1.426 145 M HN -0.192 nan 8.290 nan 0.000 0.509 146 V N 2.249 121.777 119.914 -0.644 0.000 2.498 146 V HA 0.168 4.288 4.120 -0.000 0.000 0.279 146 V C 0.168 175.606 176.094 -1.093 0.000 1.048 146 V CA -0.713 60.837 62.300 -1.251 0.000 0.967 146 V CB 1.608 31.983 31.823 -2.412 0.000 0.988 146 V HN 0.219 nan 8.190 nan 0.000 0.473 147 L N 5.688 126.313 121.223 -0.997 0.000 2.454 147 L HA 0.261 4.601 4.340 -0.000 0.000 0.284 147 L C 0.367 176.842 176.870 -0.658 0.000 1.139 147 L CA 0.360 54.724 54.840 -0.793 0.000 0.911 147 L CB -0.153 41.379 42.059 -0.879 0.000 1.262 147 L HN 0.730 nan 8.230 nan 0.000 0.453 148 W N 2.765 123.861 121.300 -0.340 0.000 2.388 148 W HA -0.079 4.581 4.660 -0.000 0.000 0.294 148 W C 1.882 178.087 176.519 -0.523 0.000 1.212 148 W CA 0.321 57.368 57.345 -0.497 0.000 1.271 148 W CB 0.032 29.204 29.460 -0.479 0.000 1.126 148 W HN 0.432 nan 8.180 nan 0.000 0.535 149 K N 0.285 120.688 120.400 0.005 0.000 2.365 149 K HA -0.136 4.184 4.320 -0.000 0.000 0.199 149 K C 1.340 177.964 176.600 0.040 0.000 1.045 149 K CA 1.092 57.458 56.287 0.132 0.000 0.962 149 K CB -0.588 32.009 32.500 0.161 0.000 0.759 149 K HN 0.317 nan 8.250 nan 0.000 0.469 150 D N 0.779 121.131 120.400 -0.080 0.000 2.149 150 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 150 D C 1.711 177.991 176.300 -0.034 0.000 0.972 150 D CA 0.740 54.699 54.000 -0.069 0.000 0.835 150 D CB 0.507 41.227 40.800 -0.133 0.000 0.966 150 D HN -0.106 nan 8.370 nan 0.000 0.476 151 V N 0.786 120.646 119.914 -0.090 0.000 2.358 151 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 151 V C 1.264 177.410 176.094 0.086 0.000 1.047 151 V CA 0.816 63.096 62.300 -0.034 0.000 1.035 151 V CB -0.526 31.265 31.823 -0.053 0.000 0.658 151 V HN 0.085 nan 8.190 nan 0.000 0.452 152 F N 0.598 120.633 119.950 0.141 0.000 2.495 152 F HA 0.338 4.865 4.527 -0.000 0.000 0.365 152 F C 0.987 176.826 175.800 0.064 0.000 1.090 152 F CA -0.674 57.392 58.000 0.109 0.000 1.235 152 F CB 0.351 39.417 39.000 0.110 0.000 1.119 152 F HN -0.001 nan 8.300 nan 0.000 0.562 153 R N 2.655 123.306 120.500 0.252 0.000 2.758 153 R HA -0.082 4.258 4.340 -0.000 0.000 0.263 153 R C 1.127 177.494 176.300 0.112 0.000 1.010 153 R CA 0.131 56.308 56.100 0.129 0.000 1.114 153 R CB 0.422 30.766 30.300 0.073 0.000 0.985 153 R HN 0.540 nan 8.270 nan 0.000 0.439 154 K N 1.601 122.044 120.400 0.072 0.000 2.089 154 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 154 K C 0.859 177.486 176.600 0.045 0.000 1.048 154 K CA 2.321 58.643 56.287 0.058 0.000 0.926 154 K CB -0.106 32.416 32.500 0.037 0.000 0.714 154 K HN 0.764 nan 8.250 nan 0.000 0.448 155 N N -0.706 118.013 118.700 0.031 0.000 2.314 155 N HA -0.041 4.699 4.740 -0.000 0.000 0.200 155 N C 0.238 175.744 175.510 -0.006 0.000 1.135 155 N CA 0.280 53.338 53.050 0.012 0.000 0.835 155 N CB 0.234 38.726 38.487 0.008 0.000 0.989 155 N HN 0.056 nan 8.380 nan 0.000 0.478 156 N N 0.621 119.323 118.700 0.003 0.000 2.234 156 N HA 0.058 4.798 4.740 -0.000 0.000 0.227 156 N C 1.057 176.498 175.510 -0.116 0.000 1.151 156 N CA -0.088 52.923 53.050 -0.065 0.000 0.865 156 N CB 0.419 38.885 38.487 -0.035 0.000 1.066 156 N HN 0.014 nan 8.380 nan 0.000 0.515 157 Q N -0.164 119.625 119.800 -0.019 0.000 2.291 157 Q HA 0.168 4.508 4.340 -0.000 0.000 0.205 157 Q C 0.979 176.964 176.000 -0.025 0.000 0.970 157 Q CA 1.002 56.826 55.803 0.035 0.000 0.876 157 Q CB 0.102 28.878 28.738 0.064 0.000 0.935 157 Q HN 0.450 nan 8.270 nan 0.000 0.455 158 L N 0.101 121.273 121.223 -0.084 0.000 2.627 158 L HA 0.302 4.642 4.340 -0.000 0.000 0.232 158 L C 0.316 177.086 176.870 -0.166 0.000 1.150 158 L CA -0.575 54.213 54.840 -0.087 0.000 0.917 158 L CB -0.393 41.628 42.059 -0.064 0.000 1.104 158 L HN 0.046 nan 8.230 nan 0.000 0.445 159 A N 1.776 124.391 122.820 -0.341 0.000 2.477 159 A HA 0.347 4.667 4.320 -0.000 0.000 0.246 159 A C -2.061 175.346 177.584 -0.295 0.000 1.078 159 A CA -0.937 50.813 52.037 -0.478 0.000 0.770 159 A CB -0.397 18.003 19.000 -1.001 0.000 1.011 159 A HN -0.017 nan 8.150 nan 0.000 0.494 160 P HA 0.215 nan 4.420 nan 0.000 0.271 160 P C -0.787 176.558 177.300 0.076 0.000 1.216 160 P CA 0.058 63.155 63.100 -0.006 0.000 0.771 160 P CB 0.868 32.587 31.700 0.031 0.000 0.864 161 V N 4.172 124.123 119.914 0.062 0.000 2.304 161 V HA 0.205 4.325 4.120 -0.000 0.000 0.278 161 V C -0.168 175.899 176.094 -0.044 0.000 1.018 161 V CA -0.140 62.148 62.300 -0.022 0.000 0.814 161 V CB 1.042 32.852 31.823 -0.022 0.000 1.021 161 V HN 0.454 nan 8.190 nan 0.000 0.440 162 D N 5.812 126.161 120.400 -0.085 0.000 2.458 162 D HA 0.460 5.100 4.640 -0.000 0.000 0.258 162 D C -0.391 175.826 176.300 -0.138 0.000 1.134 162 D CA 0.062 54.017 54.000 -0.076 0.000 0.915 162 D CB 1.566 42.342 40.800 -0.041 0.000 1.028 162 D HN 0.372 nan 8.370 nan 0.000 0.508 163 I N 1.374 121.882 120.570 -0.102 0.000 2.448 163 I HA 0.146 4.316 4.170 -0.000 0.000 0.281 163 I C -0.127 175.962 176.117 -0.047 0.000 1.027 163 I CA -0.850 60.393 61.300 -0.096 0.000 1.111 163 I CB 1.903 39.849 38.000 -0.090 0.000 1.236 163 I HN -0.023 nan 8.210 nan 0.000 0.452 164 D N 3.932 124.301 120.400 -0.052 0.000 2.256 164 D HA 0.233 4.873 4.640 -0.000 0.000 0.250 164 D C 0.861 177.145 176.300 -0.027 0.000 1.093 164 D CA -0.089 53.889 54.000 -0.037 0.000 0.882 164 D CB 1.341 42.114 40.800 -0.045 0.000 1.185 164 D HN 0.619 nan 8.370 nan 0.000 0.437 165 T N -0.313 114.227 114.554 -0.023 0.000 3.132 165 T HA 0.213 4.563 4.350 -0.000 0.000 0.274 165 T C 0.229 174.910 174.700 -0.031 0.000 1.011 165 T CA -0.730 61.355 62.100 -0.025 0.000 0.899 165 T CB -0.412 68.442 68.868 -0.024 0.000 1.089 165 T HN 0.180 nan 8.240 nan 0.000 0.543 166 N N 3.077 121.760 118.700 -0.029 0.000 2.411 166 N HA 0.248 4.987 4.740 -0.000 0.000 0.265 166 N C -0.173 175.318 175.510 -0.031 0.000 1.266 166 N CA 0.410 53.443 53.050 -0.028 0.000 0.889 166 N CB 0.258 38.730 38.487 -0.025 0.000 1.069 166 N HN 0.477 nan 8.380 nan 0.000 0.476 167 R N 0.034 120.514 120.500 -0.032 0.000 2.698 167 R HA 0.305 4.645 4.340 -0.000 0.000 0.275 167 R C -0.186 176.096 176.300 -0.030 0.000 1.001 167 R CA -0.556 55.523 56.100 -0.035 0.000 0.896 167 R CB 1.293 31.565 30.300 -0.046 0.000 1.218 167 R HN 0.580 nan 8.270 nan 0.000 0.462 168 S N 1.190 116.874 115.700 -0.027 0.000 2.583 168 S HA 0.180 4.650 4.470 -0.000 0.000 0.239 168 S C 0.180 174.766 174.600 -0.024 0.000 0.966 168 S CA -0.623 57.564 58.200 -0.022 0.000 0.973 168 S CB -0.308 62.882 63.200 -0.017 0.000 0.794 168 S HN 0.636 nan 8.310 nan 0.000 0.463 169 R N -0.634 119.847 120.500 -0.032 0.000 2.799 169 R HA 0.828 5.168 4.340 -0.000 0.000 0.270 169 R C -1.394 174.877 176.300 -0.049 0.000 1.010 169 R CA -0.953 55.126 56.100 -0.035 0.000 0.916 169 R CB 0.797 31.079 30.300 -0.029 0.000 1.228 169 R HN 0.017 nan 8.270 nan 0.000 0.469 170 A N 1.428 124.221 122.820 -0.046 0.000 2.289 170 A HA 0.474 4.794 4.320 -0.000 0.000 0.298 170 A C -0.382 177.154 177.584 -0.079 0.000 1.208 170 A CA -0.744 51.258 52.037 -0.057 0.000 0.845 170 A CB 0.322 19.297 19.000 -0.041 0.000 1.125 170 A HN 0.752 nan 8.150 nan 0.000 0.517 171 c N 4.884 123.410 118.600 -0.123 0.000 2.514 171 c HA 0.518 5.088 4.570 -0.000 0.000 0.392 171 c C -1.421 172.588 174.090 -0.136 0.000 1.294 171 c CA -0.728 55.480 56.329 -0.203 0.000 1.957 171 c CB -0.116 42.184 42.510 -0.349 0.000 2.541 171 c HN 0.777 nan 8.230 nan 0.000 0.569 172 P HA 0.335 nan 4.420 nan 0.000 0.274 172 P C -2.371 174.978 177.300 0.081 0.000 1.237 172 P CA -0.972 62.146 63.100 0.030 0.000 0.793 172 P CB -0.197 31.561 31.700 0.097 0.000 0.977 173 P HA 0.082 nan 4.420 nan 0.000 0.277 173 P C -0.372 177.057 177.300 0.216 0.000 1.276 173 P CA -0.380 62.781 63.100 0.101 0.000 0.788 173 P CB 0.413 32.134 31.700 0.034 0.000 1.114 174 c N 0.464 119.154 118.600 0.149 0.000 2.632 174 c HA 0.401 4.971 4.570 -0.000 0.000 0.415 174 c C 1.302 175.388 174.090 -0.006 0.000 1.332 174 c CA -0.129 56.230 56.329 0.050 0.000 1.874 174 c CB -0.935 41.562 42.510 -0.022 0.000 2.596 174 c HN 0.620 nan 8.230 nan 0.000 0.590 175 A N 6.530 129.325 122.820 -0.043 0.000 2.603 175 A HA 0.129 4.449 4.320 -0.000 0.000 0.235 175 A C -0.922 176.641 177.584 -0.035 0.000 1.035 175 A CA -0.267 51.748 52.037 -0.037 0.000 0.755 175 A CB -0.280 18.687 19.000 -0.055 0.000 0.954 175 A HN 0.777 nan 8.150 nan 0.000 0.511 176 P HA -0.221 nan 4.420 nan 0.000 0.216 176 P C 1.610 178.891 177.300 -0.031 0.000 1.153 176 P CA 2.351 65.435 63.100 -0.027 0.000 0.858 176 P CB 0.062 31.749 31.700 -0.021 0.000 0.789 177 A N -1.265 121.537 122.820 -0.030 0.000 2.076 177 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 177 A C 1.098 178.663 177.584 -0.032 0.000 1.160 177 A CA 0.675 52.695 52.037 -0.029 0.000 0.653 177 A CB -1.641 17.343 19.000 -0.027 0.000 0.801 177 A HN 0.240 nan 8.150 nan 0.000 0.455 178 c N 2.288 120.864 118.600 -0.041 0.000 2.662 178 c HA 0.121 4.690 4.570 -0.000 0.000 0.402 178 c C 2.101 176.165 174.090 -0.043 0.000 1.397 178 c CA -0.132 56.170 56.329 -0.045 0.000 1.575 178 c CB -0.601 41.872 42.510 -0.061 0.000 2.406 178 c HN 0.662 nan 8.230 nan 0.000 0.609 179 K N 2.754 123.135 120.400 -0.031 0.000 2.026 179 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 179 K C -0.057 176.524 176.600 -0.031 0.000 1.048 179 K CA 1.347 57.618 56.287 -0.026 0.000 0.929 179 K CB -0.232 32.259 32.500 -0.016 0.000 0.713 179 K HN 0.700 nan 8.250 nan 0.000 0.439 180 D N 0.941 121.324 120.400 -0.028 0.000 2.277 180 D HA 0.069 4.709 4.640 -0.000 0.000 0.250 180 D C -0.126 176.093 176.300 -0.135 0.000 1.032 180 D CA -0.704 53.269 54.000 -0.045 0.000 0.947 180 D CB 0.545 41.380 40.800 0.058 0.000 1.159 180 D HN -0.070 nan 8.370 nan 0.000 0.460 181 N N 0.526 119.057 118.700 -0.282 0.000 2.926 181 N HA -0.010 4.730 4.740 -0.000 0.000 0.284 181 N C -1.359 173.793 175.510 -0.597 0.000 1.303 181 N CA 0.146 52.975 53.050 -0.370 0.000 1.062 181 N CB -0.698 37.594 38.487 -0.325 0.000 1.389 181 N HN 0.403 nan 8.380 nan 0.000 0.538 182 H N -1.354 117.644 119.070 -0.119 0.000 2.589 182 H HA 0.574 5.130 4.556 -0.000 0.000 0.351 182 H C -0.410 174.787 175.328 -0.219 0.000 1.074 182 H CA -0.837 55.094 56.048 -0.196 0.000 1.203 182 H CB 1.185 30.805 29.762 -0.237 0.000 1.558 182 H HN 0.367 nan 8.280 nan 0.000 0.522 183 c N 0.661 119.153 118.600 -0.179 0.000 3.312 183 c HA 0.321 4.891 4.570 -0.000 0.000 0.332 183 c C -0.745 173.127 174.090 -0.364 0.000 1.340 183 c CA -1.042 55.148 56.329 -0.232 0.000 1.265 183 c CB 0.327 42.706 42.510 -0.220 0.000 1.563 183 c HN 1.074 nan 8.230 nan 0.000 0.471 184 W N 1.447 122.624 121.300 -0.205 0.000 3.239 184 W HA 0.558 5.218 4.660 -0.000 0.000 0.348 184 W C 1.120 177.517 176.519 -0.205 0.000 1.183 184 W CA 0.816 58.071 57.345 -0.150 0.000 1.819 184 W CB 0.727 30.110 29.460 -0.127 0.000 1.091 184 W HN 1.378 nan 8.180 nan 0.000 0.629 185 G N 0.274 108.802 108.800 -0.452 0.000 2.313 185 G HA2 0.032 3.992 3.960 -0.000 0.000 0.296 185 G HA3 0.032 3.992 3.960 -0.000 0.000 0.296 185 G C 0.068 174.324 174.900 -1.073 0.000 1.356 185 G CA -0.226 44.456 45.100 -0.698 0.000 0.833 185 G HN 0.135 nan 8.290 nan 0.000 0.552 186 E N -0.666 119.161 120.200 -0.623 0.000 2.371 186 E HA 0.184 4.534 4.350 -0.000 0.000 0.194 186 E C 1.315 177.807 176.600 -0.179 0.000 1.012 186 E CA 0.776 56.970 56.400 -0.342 0.000 0.860 186 E CB 0.239 29.980 29.700 0.068 0.000 0.811 186 E HN 0.531 nan 8.360 nan 0.000 0.502 187 S N 1.236 116.845 115.700 -0.152 0.000 2.601 187 S HA 0.167 4.637 4.470 -0.000 0.000 0.271 187 S C -1.804 172.743 174.600 -0.088 0.000 1.305 187 S CA -1.455 56.691 58.200 -0.089 0.000 1.022 187 S CB 1.122 64.284 63.200 -0.064 0.000 0.940 187 S HN -0.138 nan 8.310 nan 0.000 0.525 188 P HA 0.040 nan 4.420 nan 0.000 0.231 188 P C 0.553 177.826 177.300 -0.045 0.000 1.158 188 P CA 0.835 63.905 63.100 -0.051 0.000 0.763 188 P CB 0.048 31.726 31.700 -0.037 0.000 0.805 189 E N -0.580 119.592 120.200 -0.047 0.000 2.250 189 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 189 E C 0.714 177.292 176.600 -0.037 0.000 0.986 189 E CA 0.518 56.894 56.400 -0.040 0.000 0.849 189 E CB -0.167 29.508 29.700 -0.042 0.000 0.797 189 E HN 0.275 nan 8.360 nan 0.000 0.482 190 D N 0.530 120.901 120.400 -0.047 0.000 2.319 190 D HA 0.026 4.666 4.640 -0.000 0.000 0.230 190 D C -0.150 176.158 176.300 0.014 0.000 1.094 190 D CA 0.102 54.093 54.000 -0.016 0.000 0.856 190 D CB -0.272 40.497 40.800 -0.053 0.000 0.915 190 D HN 0.083 nan 8.370 nan 0.000 0.517 191 c N 1.715 120.306 118.600 -0.015 0.000 2.538 191 c HA -0.024 4.546 4.570 -0.000 0.000 0.408 191 c C 1.199 175.320 174.090 0.051 0.000 1.421 191 c CA -0.462 55.860 56.329 -0.011 0.000 1.642 191 c CB -0.772 41.725 42.510 -0.022 0.000 2.553 191 c HN 0.335 nan 8.230 nan 0.000 0.604 192 Q N 2.113 121.929 119.800 0.027 0.000 2.289 192 Q HA 0.316 4.656 4.340 -0.000 0.000 0.273 192 Q C -0.752 175.271 176.000 0.039 0.000 1.029 192 Q CA 0.130 55.967 55.803 0.056 0.000 0.896 192 Q CB 0.376 29.051 28.738 -0.105 0.000 1.182 192 Q HN 0.640 nan 8.270 nan 0.000 0.385 193 I N 5.193 125.800 120.570 0.061 0.000 2.315 193 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 193 I C -0.432 175.688 176.117 0.006 0.000 1.006 193 I CA -0.225 61.088 61.300 0.022 0.000 1.265 193 I CB 0.894 38.903 38.000 0.015 0.000 1.387 193 I HN 0.469 nan 8.210 nan 0.000 0.475 194 L N 6.139 127.355 121.223 -0.012 0.000 2.289 194 L HA 0.422 4.762 4.340 -0.000 0.000 0.285 194 L C 0.812 177.674 176.870 -0.015 0.000 1.049 194 L CA -0.133 54.689 54.840 -0.029 0.000 0.804 194 L CB 1.315 43.350 42.059 -0.038 0.000 1.195 194 L HN 0.751 nan 8.230 nan 0.000 0.428 195 T N -2.596 111.949 114.554 -0.013 0.000 3.192 195 T HA 0.219 4.569 4.350 -0.000 0.000 0.295 195 T C 0.809 175.509 174.700 0.001 0.000 0.947 195 T CA 0.267 62.365 62.100 -0.003 0.000 0.916 195 T CB 0.681 69.550 68.868 0.003 0.000 1.169 195 T HN 0.642 nan 8.240 nan 0.000 0.540 196 G N 1.994 110.791 108.800 -0.005 0.000 2.868 196 G HA2 0.127 4.087 3.960 -0.000 0.000 0.201 196 G HA3 0.127 4.087 3.960 -0.000 0.000 0.201 196 G C 1.494 176.395 174.900 0.001 0.000 1.130 196 G CA 0.668 45.771 45.100 0.005 0.000 0.777 196 G HN 0.516 nan 8.290 nan 0.000 0.680 197 T N 0.439 114.986 114.554 -0.012 0.000 3.072 197 T HA 0.017 4.367 4.350 -0.000 0.000 0.266 197 T C 2.209 176.905 174.700 -0.007 0.000 1.127 197 T CA 1.170 63.263 62.100 -0.012 0.000 1.107 197 T CB -0.292 68.557 68.868 -0.031 0.000 0.910 197 T HN 0.481 nan 8.240 nan 0.000 0.513 198 I N -1.382 119.183 120.570 -0.007 0.000 3.883 198 I HA 0.409 4.579 4.170 -0.000 0.000 0.326 198 I C 0.440 176.557 176.117 -0.000 0.000 1.283 198 I CA -1.004 60.294 61.300 -0.003 0.000 1.161 198 I CB -0.613 37.385 38.000 -0.004 0.000 1.012 198 I HN 0.037 nan 8.210 nan 0.000 0.421 199 c N 2.674 121.275 118.600 0.001 0.000 2.657 199 c HA 0.335 4.905 4.570 -0.000 0.000 0.404 199 c C 1.401 175.493 174.090 0.002 0.000 1.291 199 c CA -0.305 56.025 56.329 0.002 0.000 2.218 199 c CB 0.347 42.859 42.510 0.004 0.000 2.687 199 c HN 0.540 nan 8.230 nan 0.000 0.634 200 T N 1.302 115.857 114.554 0.001 0.000 2.860 200 T HA 0.428 4.778 4.350 -0.000 0.000 0.299 200 T C 0.815 175.515 174.700 0.000 0.000 1.045 200 T CA 0.269 62.369 62.100 0.001 0.000 1.071 200 T CB 0.595 69.463 68.868 -0.001 0.000 0.985 200 T HN 1.571 nan 8.240 nan 0.000 0.537 201 S N 1.470 117.170 115.700 -0.000 0.000 3.927 201 S HA -0.229 4.241 4.470 -0.000 0.000 0.618 201 S C 1.290 175.889 174.600 -0.001 0.000 2.201 201 S CA 0.711 58.911 58.200 -0.001 0.000 4.160 201 S CB -1.777 61.420 63.200 -0.004 0.000 0.266 201 S HN 2.024 nan 8.310 nan 0.000 0.760 202 G N 0.379 109.177 108.800 -0.004 0.000 3.591 202 G HA2 0.432 4.392 3.960 -0.000 0.000 0.282 202 G HA3 0.432 4.392 3.960 -0.000 0.000 0.282 202 G C 0.112 175.008 174.900 -0.008 0.000 1.238 202 G CA 0.402 45.499 45.100 -0.005 0.000 0.993 202 G HN 1.045 nan 8.290 nan 0.000 0.542 203 c N 1.669 120.266 118.600 -0.005 0.000 2.225 203 c HA 0.612 5.182 4.570 -0.000 0.000 0.328 203 c C 1.910 176.001 174.090 0.002 0.000 1.187 203 c CA -0.117 56.209 56.329 -0.005 0.000 1.665 203 c CB -0.434 42.075 42.510 -0.003 0.000 2.253 203 c HN 0.571 nan 8.230 nan 0.000 0.497 204 A N 5.585 128.406 122.820 0.003 0.000 1.972 204 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 204 A C 1.136 178.729 177.584 0.014 0.000 1.169 204 A CA 1.390 53.433 52.037 0.010 0.000 0.635 204 A CB 0.059 19.066 19.000 0.010 0.000 0.810 204 A HN 0.761 nan 8.150 nan 0.000 0.446 205 R N -1.464 119.044 120.500 0.013 0.000 2.604 205 R HA 0.493 4.833 4.340 -0.000 0.000 0.281 205 R C -1.131 175.178 176.300 0.016 0.000 1.020 205 R CA -0.054 56.056 56.100 0.016 0.000 0.899 205 R CB 1.079 31.391 30.300 0.020 0.000 1.205 205 R HN 0.562 nan 8.270 nan 0.000 0.450 206 c N -0.291 118.316 118.600 0.013 0.000 3.285 206 c HA 0.589 5.159 4.570 -0.000 0.000 0.320 206 c C 0.775 174.871 174.090 0.010 0.000 1.411 206 c CA -0.945 55.391 56.329 0.012 0.000 1.429 206 c CB 2.107 44.622 42.510 0.008 0.000 1.812 206 c HN 0.900 nan 8.230 nan 0.000 0.454 207 K N 0.608 121.014 120.400 0.010 0.000 2.358 207 K HA 0.593 4.913 4.320 -0.000 0.000 0.200 207 K C 0.550 177.153 176.600 0.004 0.000 1.030 207 K CA 0.547 56.838 56.287 0.007 0.000 1.097 207 K CB 0.635 33.140 32.500 0.008 0.000 0.862 207 K HN 1.280 nan 8.250 nan 0.000 0.534 208 G N 0.582 109.384 108.800 0.004 0.000 2.488 208 G HA2 0.149 4.109 3.960 -0.000 0.000 0.301 208 G HA3 0.149 4.109 3.960 -0.000 0.000 0.301 208 G C -0.725 174.176 174.900 0.002 0.000 1.339 208 G CA -0.918 44.183 45.100 0.002 0.000 0.803 208 G HN -0.026 nan 8.290 nan 0.000 0.482 209 R N -0.937 119.564 120.500 0.001 0.000 2.240 209 R HA 0.196 4.536 4.340 -0.000 0.000 0.203 209 R C 0.659 176.959 176.300 0.001 0.000 1.011 209 R CA 0.241 56.342 56.100 0.001 0.000 1.007 209 R CB -0.178 30.123 30.300 0.000 0.000 0.911 209 R HN 0.332 nan 8.270 nan 0.000 0.468 210 L N 1.499 122.723 121.223 0.001 0.000 2.439 210 L HA 0.222 4.562 4.340 -0.000 0.000 0.259 210 L C -1.329 175.542 176.870 0.002 0.000 1.129 210 L CA -2.081 52.760 54.840 0.001 0.000 0.803 210 L CB 0.519 42.579 42.059 0.001 0.000 1.161 210 L HN -0.186 nan 8.230 nan 0.000 0.462 211 P HA -0.089 nan 4.420 nan 0.000 0.221 211 P C 1.325 178.626 177.300 0.002 0.000 1.150 211 P CA 1.033 64.133 63.100 0.000 0.000 0.800 211 P CB 0.105 31.804 31.700 -0.002 0.000 0.787 212 T N 0.060 114.616 114.554 0.003 0.000 3.025 212 T HA -0.078 4.271 4.350 -0.000 0.000 0.270 212 T C 1.050 175.755 174.700 0.008 0.000 1.126 212 T CA 1.247 63.350 62.100 0.005 0.000 1.105 212 T CB -0.551 68.320 68.868 0.004 0.000 0.884 212 T HN 0.212 nan 8.240 nan 0.000 0.522 213 D N -0.153 120.252 120.400 0.007 0.000 2.369 213 D HA 0.129 4.769 4.640 -0.000 0.000 0.211 213 D C 0.446 176.753 176.300 0.013 0.000 1.077 213 D CA -0.038 53.968 54.000 0.010 0.000 0.842 213 D CB 0.061 40.865 40.800 0.007 0.000 0.947 213 D HN 0.306 nan 8.370 nan 0.000 0.509 214 c N 1.647 120.253 118.600 0.011 0.000 2.611 214 c HA 0.042 4.612 4.570 -0.000 0.000 0.416 214 c C 1.268 175.374 174.090 0.027 0.000 1.366 214 c CA -0.483 55.854 56.329 0.012 0.000 1.761 214 c CB -0.344 42.168 42.510 0.003 0.000 2.619 214 c HN 0.361 nan 8.230 nan 0.000 0.606 215 c N 3.431 122.051 118.600 0.034 0.000 2.466 215 c HA 0.229 4.799 4.570 -0.000 0.000 0.379 215 c C 0.640 174.779 174.090 0.081 0.000 1.251 215 c CA -0.356 56.011 56.329 0.064 0.000 2.263 215 c CB -0.509 42.037 42.510 0.060 0.000 2.511 215 c HN 0.953 nan 8.230 nan 0.000 0.573 216 H N 1.289 120.370 119.070 0.019 0.000 3.092 216 H HA -0.030 4.526 4.556 -0.000 0.000 0.332 216 H C 1.147 176.493 175.328 0.029 0.000 1.029 216 H CA 0.797 56.859 56.048 0.024 0.000 1.376 216 H CB 0.821 30.611 29.762 0.047 0.000 1.329 216 H HN 0.738 nan 8.280 nan 0.000 0.598 217 E N 2.317 122.411 120.200 -0.176 0.000 2.265 217 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 217 E C 1.208 177.871 176.600 0.104 0.000 0.996 217 E CA 0.922 57.298 56.400 -0.040 0.000 0.832 217 E CB 0.018 29.664 29.700 -0.091 0.000 0.756 217 E HN 0.612 nan 8.360 nan 0.000 0.491 218 Q N -0.133 119.866 119.800 0.331 0.000 2.425 218 Q HA 0.110 4.450 4.340 -0.000 0.000 0.204 218 Q C 0.165 176.267 176.000 0.168 0.000 0.933 218 Q CA 0.112 56.089 55.803 0.289 0.000 0.939 218 Q CB -0.110 28.855 28.738 0.379 0.000 1.044 218 Q HN 0.291 nan 8.270 nan 0.000 0.513 219 c N -0.002 118.697 118.600 0.166 0.000 2.656 219 c HA 0.422 4.992 4.570 -0.000 0.000 0.391 219 c C 1.780 175.886 174.090 0.026 0.000 1.300 219 c CA 0.122 56.498 56.329 0.079 0.000 2.302 219 c CB 0.655 43.217 42.510 0.087 0.000 2.655 219 c HN 0.496 nan 8.230 nan 0.000 0.656 220 A N 0.783 123.603 122.820 -0.000 0.000 2.026 220 A HA 0.549 4.869 4.320 -0.000 0.000 0.198 220 A C 1.624 179.204 177.584 -0.007 0.000 1.390 220 A CA 0.907 52.931 52.037 -0.023 0.000 0.915 220 A CB -0.375 18.593 19.000 -0.054 0.000 0.974 220 A HN 1.005 nan 8.150 nan 0.000 0.477 221 A N -1.756 121.063 122.820 -0.002 0.000 2.226 221 A HA 0.597 4.917 4.320 -0.000 0.000 0.207 221 A C 1.018 178.605 177.584 0.005 0.000 1.293 221 A CA 1.204 53.241 52.037 0.001 0.000 0.968 221 A CB 0.289 19.284 19.000 -0.009 0.000 1.044 221 A HN 1.714 nan 8.150 nan 0.000 0.493 222 G N -1.664 107.141 108.800 0.008 0.000 2.336 222 G HA2 0.462 4.422 3.960 -0.000 0.000 0.286 222 G HA3 0.462 4.422 3.960 -0.000 0.000 0.286 222 G C -0.876 174.035 174.900 0.018 0.000 1.269 222 G CA 0.204 45.312 45.100 0.012 0.000 0.873 222 G HN 1.570 nan 8.290 nan 0.000 0.494 223 c N -3.122 115.489 118.600 0.018 0.000 3.321 223 c HA 0.837 5.407 4.570 -0.000 0.000 0.329 223 c C 1.204 175.303 174.090 0.016 0.000 1.394 223 c CA 0.377 56.719 56.329 0.022 0.000 1.291 223 c CB 1.086 43.619 42.510 0.039 0.000 1.606 223 c HN 0.921 nan 8.230 nan 0.000 0.463 224 T N 0.266 114.829 114.554 0.016 0.000 3.035 224 T HA 0.485 4.835 4.350 -0.000 0.000 0.259 224 T C 0.860 175.570 174.700 0.016 0.000 1.078 224 T CA 1.579 63.686 62.100 0.012 0.000 1.132 224 T CB -0.070 68.803 68.868 0.009 0.000 0.900 224 T HN 1.369 nan 8.240 nan 0.000 0.480 225 G N 0.819 109.633 108.800 0.024 0.000 2.664 225 G HA2 0.414 4.374 3.960 -0.000 0.000 0.303 225 G HA3 0.414 4.374 3.960 -0.000 0.000 0.303 225 G C -2.397 172.528 174.900 0.042 0.000 1.243 225 G CA -0.543 44.573 45.100 0.028 0.000 0.826 225 G HN -0.200 nan 8.290 nan 0.000 0.498 226 P HA 0.194 nan 4.420 nan 0.000 0.239 226 P C 0.308 177.671 177.300 0.106 0.000 1.188 226 P CA 0.471 63.611 63.100 0.066 0.000 0.794 226 P CB 0.483 32.209 31.700 0.045 0.000 0.937 227 K N 0.238 120.683 120.400 0.075 0.000 2.102 227 K HA 0.094 4.414 4.320 -0.000 0.000 0.244 227 K C 1.367 177.980 176.600 0.020 0.000 1.021 227 K CA -0.323 55.998 56.287 0.058 0.000 0.913 227 K CB 0.091 32.625 32.500 0.056 0.000 1.062 227 K HN 0.319 nan 8.250 nan 0.000 0.485 228 H N -1.695 117.182 119.070 -0.321 0.000 2.543 228 H HA 0.076 4.632 4.556 -0.000 0.000 0.269 228 H C 0.610 175.816 175.328 -0.204 0.000 1.005 228 H CA 0.203 55.949 56.048 -0.503 0.000 1.146 228 H CB 0.149 29.370 29.762 -0.901 0.000 1.353 228 H HN 0.431 nan 8.280 nan 0.000 0.595 229 S N -0.558 115.168 115.700 0.044 0.000 2.539 229 S HA 0.044 4.514 4.470 -0.000 0.000 0.221 229 S C 0.438 175.037 174.600 -0.001 0.000 0.987 229 S CA -0.476 57.714 58.200 -0.017 0.000 0.929 229 S CB 0.365 63.567 63.200 0.002 0.000 0.832 229 S HN 0.302 nan 8.310 nan 0.000 0.492 230 D N 1.223 121.632 120.400 0.015 0.000 2.479 230 D HA 0.292 4.932 4.640 -0.000 0.000 0.218 230 D C -0.150 176.161 176.300 0.019 0.000 1.177 230 D CA -0.210 53.801 54.000 0.018 0.000 0.830 230 D CB 0.323 41.140 40.800 0.029 0.000 1.014 230 D HN 0.341 nan 8.370 nan 0.000 0.503 231 c N 0.799 119.408 118.600 0.015 0.000 2.657 231 c HA 0.191 4.761 4.570 -0.000 0.000 0.404 231 c C 2.383 176.478 174.090 0.008 0.000 1.291 231 c CA -0.493 55.848 56.329 0.019 0.000 2.218 231 c CB 0.512 43.033 42.510 0.020 0.000 2.687 231 c HN 0.301 nan 8.230 nan 0.000 0.634 232 L N 1.493 122.720 121.223 0.006 0.000 2.209 232 L HA 0.153 4.493 4.340 -0.000 0.000 0.207 232 L C 1.098 177.963 176.870 -0.009 0.000 1.094 232 L CA 0.978 55.816 54.840 -0.003 0.000 0.790 232 L CB -0.324 41.731 42.059 -0.006 0.000 0.932 232 L HN 0.868 nan 8.230 nan 0.000 0.447 233 A N -1.856 120.959 122.820 -0.008 0.000 2.612 233 A HA 0.502 4.822 4.320 -0.000 0.000 0.293 233 A C -1.304 176.269 177.584 -0.018 0.000 1.075 233 A CA -0.649 51.377 52.037 -0.017 0.000 0.680 233 A CB 0.920 19.904 19.000 -0.027 0.000 1.279 233 A HN -0.017 nan 8.150 nan 0.000 0.411 234 c N 1.464 120.048 118.600 -0.026 0.000 2.388 234 c HA 0.371 4.941 4.570 -0.000 0.000 0.362 234 c C 2.130 176.162 174.090 -0.096 0.000 1.266 234 c CA -0.373 55.938 56.329 -0.030 0.000 2.028 234 c CB 0.219 42.728 42.510 -0.002 0.000 2.440 234 c HN 0.885 nan 8.230 nan 0.000 0.547 235 L N 1.709 122.860 121.223 -0.121 0.000 2.046 235 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 235 L C 2.006 178.556 176.870 -0.534 0.000 1.077 235 L CA 1.839 56.503 54.840 -0.293 0.000 0.747 235 L CB -0.254 41.637 42.059 -0.279 0.000 0.896 235 L HN 0.813 nan 8.230 nan 0.000 0.432 236 H N -2.582 116.352 119.070 -0.227 0.000 2.269 236 H HA 0.264 4.820 4.556 -0.000 0.000 0.216 236 H C -0.453 174.389 175.328 -0.810 0.000 0.985 236 H CA 0.120 55.831 56.048 -0.562 0.000 1.274 236 H CB 0.589 30.079 29.762 -0.453 0.000 1.283 236 H HN 0.027 nan 8.280 nan 0.000 0.491 237 F N 0.988 121.033 119.950 0.158 0.000 2.569 237 F HA 0.259 4.786 4.527 -0.000 0.000 0.312 237 F C 0.087 175.935 175.800 0.079 0.000 1.109 237 F CA -1.070 56.986 58.000 0.095 0.000 0.919 237 F CB 1.632 40.685 39.000 0.089 0.000 1.211 237 F HN -0.049 nan 8.300 nan 0.000 0.446 238 N N 1.768 120.616 118.700 0.246 0.000 2.437 238 N HA 0.063 4.803 4.740 -0.000 0.000 0.243 238 N C -1.141 174.496 175.510 0.212 0.000 1.041 238 N CA -0.192 52.954 53.050 0.161 0.000 0.940 238 N CB 0.160 38.707 38.487 0.101 0.000 1.133 238 N HN 0.570 nan 8.380 nan 0.000 0.506 239 H N 2.959 122.060 119.070 0.052 0.000 2.702 239 H HA 0.277 4.833 4.556 -0.000 0.000 0.252 239 H C -0.284 175.039 175.328 -0.009 0.000 1.493 239 H CA -0.383 55.680 56.048 0.024 0.000 1.273 239 H CB -0.651 29.118 29.762 0.012 0.000 1.537 239 H HN 0.502 nan 8.280 nan 0.000 0.547 240 S N 2.986 118.736 115.700 0.082 0.000 3.631 240 S HA -0.171 4.299 4.470 -0.000 0.000 0.366 240 S C 1.281 175.832 174.600 -0.081 0.000 0.993 240 S CA 1.237 59.427 58.200 -0.018 0.000 1.167 240 S CB -1.667 61.501 63.200 -0.053 0.000 0.909 240 S HN 1.367 nan 8.310 nan 0.000 0.478 241 G N -1.302 107.466 108.800 -0.053 0.000 2.176 241 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.232 241 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.232 241 G C -0.210 174.616 174.900 -0.124 0.000 0.986 241 G CA -0.008 45.051 45.100 -0.068 0.000 0.643 241 G HN 0.674 nan 8.290 nan 0.000 0.522 242 I N 1.228 121.691 120.570 -0.180 0.000 2.418 242 I HA 0.475 4.645 4.170 -0.000 0.000 0.287 242 I C 0.593 176.600 176.117 -0.184 0.000 1.008 242 I CA -0.762 60.340 61.300 -0.331 0.000 1.104 242 I CB 1.619 39.275 38.000 -0.574 0.000 1.264 242 I HN 0.169 nan 8.210 nan 0.000 0.438 243 c N 5.762 124.278 118.600 -0.139 0.000 2.585 243 c HA 0.451 5.021 4.570 -0.000 0.000 0.406 243 c C 0.336 174.463 174.090 0.062 0.000 1.312 243 c CA -0.470 55.862 56.329 0.005 0.000 1.924 243 c CB -0.935 41.593 42.510 0.031 0.000 2.578 243 c HN 0.644 nan 8.230 nan 0.000 0.580 244 E N 1.016 121.314 120.200 0.162 0.000 2.383 244 E HA 0.190 4.540 4.350 -0.000 0.000 0.275 244 E C 0.149 176.895 176.600 0.244 0.000 0.918 244 E CA -0.761 55.764 56.400 0.209 0.000 0.764 244 E CB 1.782 31.607 29.700 0.209 0.000 1.252 244 E HN 0.481 nan 8.360 nan 0.000 0.449 245 L N 1.347 122.655 121.223 0.140 0.000 2.093 245 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 245 L C 0.122 176.900 176.870 -0.153 0.000 1.085 245 L CA 2.150 56.924 54.840 -0.111 0.000 0.755 245 L CB -0.165 41.728 42.059 -0.277 0.000 0.904 245 L HN 0.483 nan 8.230 nan 0.000 0.435 246 H N -2.869 116.324 119.070 0.204 0.000 2.895 246 H HA 0.403 4.959 4.556 -0.000 0.000 0.373 246 H C -0.568 174.716 175.328 -0.074 0.000 1.174 246 H CA -1.042 55.057 56.048 0.084 0.000 1.144 246 H CB 1.162 30.922 29.762 -0.003 0.000 1.793 246 H HN -0.034 nan 8.280 nan 0.000 0.551 247 c N 3.049 121.509 118.600 -0.234 0.000 2.604 247 c HA 0.200 4.770 4.570 -0.000 0.000 0.396 247 c C -1.813 172.129 174.090 -0.248 0.000 1.282 247 c CA -1.021 55.112 56.329 -0.326 0.000 2.292 247 c CB -0.274 41.961 42.510 -0.457 0.000 2.633 247 c HN 0.593 nan 8.230 nan 0.000 0.620 248 P HA 0.268 nan 4.420 nan 0.000 0.268 248 P C -0.477 176.688 177.300 -0.224 0.000 1.205 248 P CA 0.228 63.198 63.100 -0.216 0.000 0.771 248 P CB 0.372 31.934 31.700 -0.230 0.000 0.858 249 A N 2.846 125.562 122.820 -0.174 0.000 2.406 249 A HA 0.115 4.435 4.320 -0.000 0.000 0.243 249 A C 1.274 178.725 177.584 -0.221 0.000 1.082 249 A CA -0.108 51.823 52.037 -0.177 0.000 0.786 249 A CB -0.378 18.555 19.000 -0.110 0.000 1.029 249 A HN 0.641 nan 8.150 nan 0.000 0.495 250 L N 0.898 121.982 121.223 -0.232 0.000 2.313 250 L HA 0.065 4.405 4.340 -0.000 0.000 0.214 250 L C -0.189 176.550 176.870 -0.219 0.000 1.119 250 L CA 0.450 55.140 54.840 -0.250 0.000 0.809 250 L CB -0.415 41.503 42.059 -0.235 0.000 0.933 250 L HN 0.405 nan 8.230 nan 0.000 0.449 251 V N -1.001 118.793 119.914 -0.199 0.000 2.709 251 V HA 0.405 4.525 4.120 -0.000 0.000 0.308 251 V C -0.337 175.574 176.094 -0.305 0.000 1.062 251 V CA -0.551 61.599 62.300 -0.249 0.000 0.901 251 V CB 2.119 33.781 31.823 -0.268 0.000 1.003 251 V HN -0.013 nan 8.190 nan 0.000 0.425 252 T N 3.074 117.433 114.554 -0.325 0.000 2.912 252 T HA 0.766 5.116 4.350 -0.000 0.000 0.288 252 T C -1.159 173.334 174.700 -0.346 0.000 1.030 252 T CA -0.324 61.639 62.100 -0.229 0.000 1.020 252 T CB 1.514 70.324 68.868 -0.098 0.000 1.056 252 T HN 0.432 nan 8.240 nan 0.000 0.480 260 S N 3.043 118.734 115.700 -0.014 0.000 2.501 260 S HA 0.860 5.330 4.470 -0.000 0.000 0.301 260 S C 0.057 174.571 174.600 -0.144 0.000 1.096 260 S CA -0.676 57.430 58.200 -0.156 0.000 1.063 260 S CB 1.264 64.273 63.200 -0.318 0.000 1.042 260 S HN 0.536 nan 8.310 nan 0.000 0.494 261 M N 3.096 122.592 119.600 -0.173 0.000 2.618 261 M HA 0.460 4.939 4.480 -0.000 0.000 0.281 261 M C -1.128 175.121 176.300 -0.085 0.000 1.267 261 M CA -0.684 54.562 55.300 -0.089 0.000 0.845 261 M CB 1.745 34.316 32.600 -0.047 0.000 1.732 261 M HN 0.974 nan 8.290 nan 0.000 0.461 262 H N 2.503 121.511 119.070 -0.103 0.000 2.803 262 H HA 0.196 4.752 4.556 -0.000 0.000 0.330 262 H C -1.516 173.762 175.328 -0.083 0.000 1.057 262 H CA 0.486 56.477 56.048 -0.095 0.000 1.458 262 H CB 0.764 30.487 29.762 -0.065 0.000 1.470 262 H HN 0.766 nan 8.280 nan 0.000 0.560 263 N N 6.923 125.208 118.700 -0.692 0.000 2.439 263 N HA 0.138 4.878 4.740 -0.000 0.000 0.249 263 N C -1.909 173.212 175.510 -0.649 0.000 1.003 263 N CA -2.190 50.551 53.050 -0.515 0.000 0.942 263 N CB 1.278 39.581 38.487 -0.307 0.000 1.115 263 N HN 0.410 nan 8.380 nan 0.000 0.505 264 P HA 0.004 nan 4.420 nan 0.000 0.242 264 P C -0.038 177.206 177.300 -0.094 0.000 1.197 264 P CA 0.740 63.743 63.100 -0.163 0.000 0.765 264 P CB 0.554 32.237 31.700 -0.028 0.000 0.936 265 E N -0.051 120.075 120.200 -0.123 0.000 2.472 265 E HA 0.123 4.473 4.350 -0.000 0.000 0.196 265 E C 1.326 177.854 176.600 -0.120 0.000 1.033 265 E CA -0.019 56.343 56.400 -0.063 0.000 0.886 265 E CB -0.372 29.312 29.700 -0.027 0.000 0.944 265 E HN 0.175 nan 8.360 nan 0.000 0.492 266 G N 2.138 110.816 108.800 -0.203 0.000 2.257 266 G HA2 0.001 3.961 3.960 -0.000 0.000 0.235 266 G HA3 0.001 3.961 3.960 -0.000 0.000 0.235 266 G C 0.159 174.908 174.900 -0.252 0.000 1.225 266 G CA -0.006 44.938 45.100 -0.260 0.000 0.878 266 G HN -0.076 nan 8.290 nan 0.000 0.505 267 R N 1.019 121.324 120.500 -0.324 0.000 2.771 267 R HA 0.280 4.620 4.340 -0.000 0.000 0.274 267 R C -1.316 174.768 176.300 -0.360 0.000 0.987 267 R CA -0.839 55.097 56.100 -0.275 0.000 0.908 267 R CB 1.684 31.837 30.300 -0.246 0.000 1.213 267 R HN 0.591 nan 8.270 nan 0.000 0.468 268 Y N 0.228 120.484 120.300 -0.074 0.000 2.320 268 Y HA 0.189 4.739 4.550 -0.000 0.000 0.324 268 Y C 1.169 177.033 175.900 -0.061 0.000 1.190 268 Y CA -0.265 57.802 58.100 -0.055 0.000 1.215 268 Y CB 1.441 39.891 38.460 -0.017 0.000 1.221 268 Y HN 0.482 nan 8.280 nan 0.000 0.486 269 T N 0.795 115.397 114.554 0.081 0.000 2.743 269 T HA 0.439 4.789 4.350 -0.000 0.000 0.293 269 T C -1.067 173.772 174.700 0.232 0.000 0.945 269 T CA -0.471 61.645 62.100 0.027 0.000 1.030 269 T CB 0.167 68.963 68.868 -0.119 0.000 0.912 269 T HN 0.435 nan 8.240 nan 0.000 0.483 270 F N 3.515 123.504 119.950 0.064 0.000 2.553 270 F HA 0.590 5.117 4.527 -0.000 0.000 0.335 270 F C 0.740 176.592 175.800 0.087 0.000 1.148 270 F CA 0.086 58.096 58.000 0.017 0.000 0.963 270 F CB 0.804 39.749 39.000 -0.091 0.000 1.217 270 F HN 1.151 nan 8.300 nan 0.000 0.441 271 G N 4.162 112.772 108.800 -0.317 0.000 2.622 271 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.307 271 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.307 271 G C 0.499 175.406 174.900 0.013 0.000 1.226 271 G CA 0.365 45.297 45.100 -0.280 0.000 0.997 271 G HN 1.755 nan 8.290 nan 0.000 0.551 272 A N 0.252 123.045 122.820 -0.045 0.000 2.684 272 A HA 0.708 5.028 4.320 -0.000 0.000 0.288 272 A C 0.779 178.475 177.584 0.186 0.000 1.337 272 A CA 1.521 53.570 52.037 0.020 0.000 0.946 272 A CB -0.624 18.319 19.000 -0.095 0.000 1.093 272 A HN 2.229 nan 8.150 nan 0.000 0.543 273 S N -1.407 114.453 115.700 0.267 0.000 2.569 273 S HA 0.550 5.020 4.470 -0.000 0.000 0.280 273 S C -0.759 173.981 174.600 0.233 0.000 1.111 273 S CA -0.641 57.705 58.200 0.243 0.000 0.887 273 S CB 1.316 64.620 63.200 0.172 0.000 1.095 273 S HN 0.312 nan 8.310 nan 0.000 0.476 274 c N 3.484 122.183 118.600 0.166 0.000 2.239 274 c HA 0.739 5.309 4.570 -0.000 0.000 0.325 274 c C 0.327 174.485 174.090 0.112 0.000 1.231 274 c CA -0.645 55.718 56.329 0.056 0.000 1.652 274 c CB -0.562 41.909 42.510 -0.065 0.000 2.284 274 c HN 0.767 nan 8.230 nan 0.000 0.499 275 V N 1.888 121.882 119.914 0.134 0.000 2.667 275 V HA 0.574 4.694 4.120 -0.000 0.000 0.308 275 V C 0.769 176.965 176.094 0.170 0.000 1.048 275 V CA -0.323 62.064 62.300 0.146 0.000 0.928 275 V CB 1.163 33.065 31.823 0.130 0.000 1.004 275 V HN 0.817 nan 8.190 nan 0.000 0.444 276 T N 0.721 115.360 114.554 0.142 0.000 2.833 276 T HA -0.012 4.338 4.350 -0.000 0.000 0.269 276 T C 0.828 175.680 174.700 0.252 0.000 1.054 276 T CA 1.778 63.976 62.100 0.163 0.000 1.135 276 T CB -0.208 68.725 68.868 0.107 0.000 0.869 276 T HN 0.856 nan 8.240 nan 0.000 0.466 277 T N -0.017 114.614 114.554 0.128 0.000 2.956 277 T HA 0.394 4.744 4.350 -0.000 0.000 0.312 277 T C -0.684 173.911 174.700 -0.176 0.000 1.151 277 T CA -0.791 61.288 62.100 -0.036 0.000 1.024 277 T CB 1.045 69.900 68.868 -0.021 0.000 1.140 277 T HN 0.293 nan 8.240 nan 0.000 0.473 278 c N 5.724 124.103 118.600 -0.369 0.000 2.634 278 c HA 0.303 4.872 4.570 -0.000 0.000 0.417 278 c C -1.645 172.264 174.090 -0.303 0.000 1.334 278 c CA -0.743 55.374 56.329 -0.353 0.000 1.829 278 c CB -0.526 41.791 42.510 -0.322 0.000 2.665 278 c HN 0.622 nan 8.230 nan 0.000 0.614 279 P HA 0.031 nan 4.420 nan 0.000 0.272 279 P C -0.542 176.726 177.300 -0.053 0.000 1.230 279 P CA -0.276 62.619 63.100 -0.342 0.000 0.788 279 P CB 0.248 31.518 31.700 -0.716 0.000 0.949 280 Y N 2.353 122.624 120.300 -0.049 0.000 2.987 280 Y HA -0.239 4.311 4.550 -0.000 0.000 0.339 280 Y C 1.597 177.563 175.900 0.110 0.000 1.272 280 Y CA 2.153 60.266 58.100 0.023 0.000 1.562 280 Y CB -0.221 38.251 38.460 0.019 0.000 1.253 280 Y HN 0.581 nan 8.280 nan 0.000 0.604 281 N N 1.254 119.661 118.700 -0.487 0.000 2.965 281 N HA -0.289 4.451 4.740 -0.000 0.000 0.232 281 N C -1.532 173.833 175.510 -0.243 0.000 0.913 281 N CA 1.385 54.246 53.050 -0.316 0.000 0.981 281 N CB -1.599 36.839 38.487 -0.082 0.000 1.077 281 N HN 0.616 nan 8.380 nan 0.000 0.589 282 Y N 0.325 120.514 120.300 -0.185 0.000 2.453 282 Y HA 0.605 5.155 4.550 -0.000 0.000 0.326 282 Y C 0.752 176.576 175.900 -0.127 0.000 1.186 282 Y CA -0.587 57.441 58.100 -0.120 0.000 1.200 282 Y CB 0.963 39.340 38.460 -0.138 0.000 1.247 282 Y HN -0.124 nan 8.280 nan 0.000 0.482 283 L N 1.257 122.525 121.223 0.075 0.000 2.331 283 L HA 0.487 4.827 4.340 -0.000 0.000 0.275 283 L C -0.264 176.624 176.870 0.030 0.000 1.022 283 L CA -0.691 54.163 54.840 0.023 0.000 0.812 283 L CB 1.738 43.815 42.059 0.030 0.000 1.257 283 L HN 0.573 nan 8.230 nan 0.000 0.435 284 S N 0.586 116.273 115.700 -0.021 0.000 2.508 284 S HA 0.489 4.958 4.470 -0.000 0.000 0.284 284 S C 0.178 174.819 174.600 0.068 0.000 1.192 284 S CA -0.389 57.797 58.200 -0.024 0.000 1.070 284 S CB 1.556 64.682 63.200 -0.123 0.000 1.004 284 S HN 0.569 nan 8.310 nan 0.000 0.493 285 T N 1.784 116.413 114.554 0.124 0.000 2.934 285 T HA 0.175 4.525 4.350 -0.000 0.000 0.283 285 T C 1.578 176.360 174.700 0.137 0.000 1.005 285 T CA -0.594 61.576 62.100 0.118 0.000 1.041 285 T CB 1.276 70.213 68.868 0.115 0.000 1.042 285 T HN 0.815 nan 8.240 nan 0.000 0.505 286 E N 1.022 121.280 120.200 0.096 0.000 2.070 286 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 286 E C 1.499 178.140 176.600 0.068 0.000 1.004 286 E CA 1.404 57.852 56.400 0.080 0.000 0.805 286 E CB -0.156 29.578 29.700 0.055 0.000 0.744 286 E HN 0.390 nan 8.360 nan 0.000 0.451 287 V N 0.617 120.568 119.914 0.061 0.000 3.383 287 V HA 0.021 4.141 4.120 -0.000 0.000 0.272 287 V C 1.340 177.448 176.094 0.024 0.000 1.181 287 V CA 0.913 63.232 62.300 0.033 0.000 1.171 287 V CB -0.961 30.882 31.823 0.034 0.000 0.800 287 V HN 0.597 nan 8.190 nan 0.000 0.515 288 G N 1.531 110.391 108.800 0.100 0.000 2.246 288 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.273 288 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.273 288 G C 0.187 175.222 174.900 0.224 0.000 1.055 288 G CA 0.438 45.633 45.100 0.158 0.000 0.851 288 G HN 0.867 nan 8.290 nan 0.000 0.500 289 S N -1.730 114.092 115.700 0.204 0.000 2.681 289 S HA 0.773 5.243 4.470 -0.000 0.000 0.299 289 S C 0.216 174.941 174.600 0.208 0.000 1.113 289 S CA -0.544 57.773 58.200 0.195 0.000 1.013 289 S CB 2.474 65.763 63.200 0.148 0.000 1.076 289 S HN 0.787 nan 8.310 nan 0.000 0.534 290 c N 2.264 120.990 118.600 0.211 0.000 2.329 290 c HA 0.857 5.427 4.570 -0.000 0.000 0.329 290 c C 0.516 174.811 174.090 0.341 0.000 1.275 290 c CA -0.468 55.988 56.329 0.212 0.000 1.726 290 c CB 0.262 42.841 42.510 0.115 0.000 2.291 290 c HN 1.015 nan 8.230 nan 0.000 0.514 291 T N 1.446 116.203 114.554 0.337 0.000 2.901 291 T HA 0.516 4.866 4.350 -0.000 0.000 0.293 291 T C 0.660 175.454 174.700 0.157 0.000 1.084 291 T CA -0.743 61.534 62.100 0.296 0.000 1.008 291 T CB 1.171 70.138 68.868 0.165 0.000 1.170 291 T HN 0.408 nan 8.240 nan 0.000 0.509 292 L N 0.244 121.477 121.223 0.017 0.000 2.375 292 L HA 0.249 4.589 4.340 -0.000 0.000 0.215 292 L C -0.051 176.810 176.870 -0.015 0.000 1.108 292 L CA 0.292 55.041 54.840 -0.150 0.000 0.830 292 L CB 0.201 42.155 42.059 -0.175 0.000 0.959 292 L HN 0.432 nan 8.230 nan 0.000 0.457 293 V N -1.987 117.959 119.914 0.053 0.000 2.577 293 V HA 0.265 4.385 4.120 -0.000 0.000 0.303 293 V C -0.078 176.068 176.094 0.087 0.000 1.042 293 V CA -1.290 61.060 62.300 0.083 0.000 0.872 293 V CB 1.341 33.216 31.823 0.087 0.000 0.998 293 V HN 0.003 nan 8.190 nan 0.000 0.423 294 c N 5.700 124.353 118.600 0.088 0.000 2.679 294 c HA 0.268 4.838 4.570 -0.000 0.000 0.417 294 c C -1.377 172.751 174.090 0.063 0.000 1.302 294 c CA -0.097 56.276 56.329 0.072 0.000 1.973 294 c CB -0.308 42.238 42.510 0.060 0.000 2.715 294 c HN 0.720 nan 8.230 nan 0.000 0.628 295 P HA 0.111 nan 4.420 nan 0.000 0.269 295 P C -2.296 175.025 177.300 0.035 0.000 1.211 295 P CA -0.499 62.629 63.100 0.047 0.000 0.781 295 P CB -0.249 31.479 31.700 0.047 0.000 0.877 296 P HA -0.098 nan 4.420 nan 0.000 0.267 296 P C -0.126 177.184 177.300 0.017 0.000 1.200 296 P CA 0.419 63.529 63.100 0.017 0.000 0.772 296 P CB 0.131 31.837 31.700 0.010 0.000 0.855 297 N N -0.795 117.914 118.700 0.014 0.000 2.721 297 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 297 N C -0.284 175.230 175.510 0.007 0.000 1.072 297 N CA 0.930 53.986 53.050 0.010 0.000 0.710 297 N CB -1.521 36.971 38.487 0.009 0.000 0.993 297 N HN 0.523 nan 8.380 nan 0.000 0.547 298 N N 0.872 119.575 118.700 0.005 0.000 2.485 298 N HA 0.439 5.179 4.740 -0.000 0.000 0.280 298 N C 0.025 175.523 175.510 -0.020 0.000 1.205 298 N CA -0.394 52.658 53.050 0.004 0.000 0.959 298 N CB 0.891 39.390 38.487 0.020 0.000 1.206 298 N HN 0.225 nan 8.380 nan 0.000 0.545 299 Q N -0.813 118.981 119.800 -0.010 0.000 2.433 299 Q HA 0.517 4.857 4.340 -0.000 0.000 0.279 299 Q C -1.250 174.765 176.000 0.025 0.000 1.105 299 Q CA -0.906 54.886 55.803 -0.020 0.000 0.815 299 Q CB 1.911 30.637 28.738 -0.019 0.000 1.403 299 Q HN 0.370 nan 8.270 nan 0.000 0.435 300 E N 1.238 121.477 120.200 0.065 0.000 2.167 300 E HA 0.310 4.660 4.350 -0.000 0.000 0.284 300 E C -0.831 175.813 176.600 0.072 0.000 1.016 300 E CA -0.591 55.867 56.400 0.097 0.000 0.817 300 E CB 1.961 31.774 29.700 0.189 0.000 1.080 300 E HN 0.428 nan 8.360 nan 0.000 0.397 301 V N 2.168 122.108 119.914 0.044 0.000 2.459 301 V HA 0.339 4.459 4.120 -0.000 0.000 0.295 301 V C -0.369 175.735 176.094 0.017 0.000 1.029 301 V CA -0.358 61.960 62.300 0.031 0.000 0.874 301 V CB 1.786 33.623 31.823 0.023 0.000 0.985 301 V HN 0.574 nan 8.190 nan 0.000 0.438 302 T N 6.983 121.544 114.554 0.013 0.000 2.739 302 T HA 0.591 4.941 4.350 -0.000 0.000 0.298 302 T C 0.541 175.241 174.700 -0.001 0.000 0.929 302 T CA 0.466 62.565 62.100 -0.002 0.000 1.014 302 T CB 0.541 69.407 68.868 -0.004 0.000 0.914 302 T HN 1.385 nan 8.240 nan 0.000 0.509 303 A N 3.480 126.297 122.820 -0.005 0.000 2.587 303 A HA 0.055 4.375 4.320 -0.000 0.000 0.235 303 A C 1.585 179.168 177.584 -0.002 0.000 1.044 303 A CA -0.218 51.817 52.037 -0.003 0.000 0.754 303 A CB 0.171 19.168 19.000 -0.006 0.000 0.968 303 A HN 0.894 nan 8.150 nan 0.000 0.509 304 E N 1.582 121.783 120.200 0.002 0.000 2.301 304 E HA -0.246 4.104 4.350 -0.000 0.000 0.202 304 E C 0.216 176.818 176.600 0.004 0.000 1.017 304 E CA 1.724 58.126 56.400 0.003 0.000 0.831 304 E CB -0.119 29.584 29.700 0.004 0.000 0.742 304 E HN 0.885 nan 8.360 nan 0.000 0.491 305 D N -1.785 118.618 120.400 0.004 0.000 2.479 305 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 305 D C 1.472 177.780 176.300 0.013 0.000 1.104 305 D CA 0.790 54.796 54.000 0.009 0.000 0.849 305 D CB 1.288 42.093 40.800 0.008 0.000 1.072 305 D HN 0.274 nan 8.370 nan 0.000 0.502 306 G N 1.230 110.033 108.800 0.004 0.000 4.197 306 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.197 306 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.197 306 G C 0.370 175.250 174.900 -0.033 0.000 1.033 306 G CA 0.092 45.194 45.100 0.004 0.000 0.876 306 G HN 0.220 nan 8.290 nan 0.000 0.314 307 T N 1.562 116.096 114.554 -0.034 0.000 2.923 307 T HA 0.374 4.724 4.350 -0.000 0.000 0.320 307 T C -0.089 174.577 174.700 -0.057 0.000 1.074 307 T CA 0.608 62.675 62.100 -0.055 0.000 1.131 307 T CB 1.108 69.952 68.868 -0.040 0.000 1.058 307 T HN 0.454 nan 8.240 nan 0.000 0.535 308 Q N 1.079 120.837 119.800 -0.070 0.000 2.375 308 Q HA 0.580 4.920 4.340 -0.000 0.000 0.271 308 Q C -0.510 175.472 176.000 -0.030 0.000 1.074 308 Q CA -1.096 54.680 55.803 -0.045 0.000 0.808 308 Q CB 2.177 30.882 28.738 -0.055 0.000 1.327 308 Q HN 0.742 nan 8.270 nan 0.000 0.441 309 R N -0.330 120.168 120.500 -0.003 0.000 2.771 309 R HA 0.669 5.009 4.340 -0.000 0.000 0.274 309 R C -1.225 175.094 176.300 0.032 0.000 0.987 309 R CA -0.723 55.385 56.100 0.012 0.000 0.908 309 R CB 0.728 31.038 30.300 0.017 0.000 1.213 309 R HN 0.418 nan 8.270 nan 0.000 0.468 310 c N 1.537 120.162 118.600 0.043 0.000 2.514 310 c HA 0.436 5.006 4.570 -0.000 0.000 0.392 310 c C -0.043 174.073 174.090 0.044 0.000 1.294 310 c CA 0.012 56.370 56.329 0.048 0.000 1.957 310 c CB -0.414 42.131 42.510 0.058 0.000 2.541 310 c HN 0.946 nan 8.230 nan 0.000 0.569 311 E N 2.774 122.995 120.200 0.035 0.000 2.274 311 E HA 0.270 4.620 4.350 -0.000 0.000 0.269 311 E C -0.754 175.860 176.600 0.023 0.000 0.891 311 E CA -0.615 55.803 56.400 0.030 0.000 0.784 311 E CB 0.816 30.532 29.700 0.026 0.000 1.225 311 E HN 0.465 nan 8.360 nan 0.000 0.412 312 K N 2.825 123.239 120.400 0.024 0.000 2.485 312 K HA 0.099 4.419 4.320 -0.000 0.000 0.277 312 K C -0.764 175.844 176.600 0.014 0.000 0.990 312 K CA -0.140 56.159 56.287 0.019 0.000 0.994 312 K CB 0.454 32.967 32.500 0.021 0.000 0.906 312 K HN 0.657 nan 8.250 nan 0.000 0.488 313 c N 3.112 121.717 118.600 0.009 0.000 2.394 313 c HA 0.089 4.659 4.570 -0.000 0.000 0.362 313 c C 2.035 176.130 174.090 0.007 0.000 1.268 313 c CA -0.653 55.680 56.329 0.006 0.000 1.828 313 c CB 0.028 42.538 42.510 0.001 0.000 2.442 313 c HN 0.836 nan 8.230 nan 0.000 0.549 314 S N 3.079 118.784 115.700 0.008 0.000 2.356 314 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 314 S C 0.622 175.226 174.600 0.006 0.000 1.032 314 S CA 0.902 59.106 58.200 0.008 0.000 1.005 314 S CB -0.252 62.953 63.200 0.008 0.000 0.867 314 S HN 0.902 nan 8.310 nan 0.000 0.449 315 K N 1.289 121.691 120.400 0.004 0.000 2.210 315 K HA 0.572 4.892 4.320 -0.000 0.000 0.236 315 K C -3.234 173.367 176.600 0.002 0.000 1.016 315 K CA -2.517 53.772 56.287 0.003 0.000 0.913 315 K CB -0.994 31.508 32.500 0.002 0.000 1.141 315 K HN -0.213 nan 8.250 nan 0.000 0.462 316 P HA -0.143 nan 4.420 nan 0.000 0.255 316 P C -0.442 176.856 177.300 -0.002 0.000 1.141 316 P CA -0.225 62.875 63.100 0.000 0.000 0.767 316 P CB -0.306 31.393 31.700 -0.001 0.000 0.726 317 c N 3.609 122.207 118.600 -0.004 0.000 2.563 317 c HA 0.218 4.788 4.570 -0.000 0.000 0.411 317 c C 1.563 175.645 174.090 -0.015 0.000 1.386 317 c CA -0.145 56.177 56.329 -0.012 0.000 1.703 317 c CB -0.858 41.642 42.510 -0.018 0.000 2.596 317 c HN 0.698 nan 8.230 nan 0.000 0.605 318 A N 4.781 127.590 122.820 -0.019 0.000 2.561 318 A HA 0.152 4.472 4.320 -0.000 0.000 0.234 318 A C 0.806 178.371 177.584 -0.031 0.000 1.055 318 A CA 0.164 52.190 52.037 -0.018 0.000 0.756 318 A CB 0.173 19.166 19.000 -0.013 0.000 0.986 318 A HN 0.912 nan 8.150 nan 0.000 0.505 319 R N 1.523 122.011 120.500 -0.020 0.000 2.522 319 R HA 0.328 4.668 4.340 -0.000 0.000 0.284 319 R C -0.979 175.293 176.300 -0.046 0.000 1.032 319 R CA 0.297 56.384 56.100 -0.022 0.000 1.049 319 R CB 0.176 30.470 30.300 -0.009 0.000 0.956 319 R HN 0.508 nan 8.270 nan 0.000 0.422 320 V N 4.370 124.224 119.914 -0.100 0.000 3.040 320 V HA 0.269 4.389 4.120 -0.000 0.000 0.312 320 V C -0.688 175.290 176.094 -0.193 0.000 1.115 320 V CA -0.805 61.385 62.300 -0.184 0.000 0.998 320 V CB 2.373 33.921 31.823 -0.457 0.000 1.042 320 V HN 0.899 nan 8.190 nan 0.000 0.433 321 c N 4.278 122.849 118.600 -0.049 0.000 2.281 321 c HA 0.503 5.072 4.570 -0.000 0.000 0.336 321 c C -0.312 173.836 174.090 0.096 0.000 1.217 321 c CA -0.835 55.536 56.329 0.070 0.000 1.730 321 c CB -1.355 41.278 42.510 0.204 0.000 2.338 321 c HN 0.696 nan 8.230 nan 0.000 0.521 322 Y N 1.683 122.132 120.300 0.249 0.000 2.313 322 Y HA 0.518 5.068 4.550 -0.000 0.000 0.332 322 Y C 1.112 177.186 175.900 0.291 0.000 1.071 322 Y CA 0.287 58.525 58.100 0.231 0.000 1.169 322 Y CB 0.994 39.516 38.460 0.102 0.000 1.192 322 Y HN 0.815 nan 8.280 nan 0.000 0.487 323 G N 2.420 111.480 108.800 0.434 0.000 2.568 323 G HA2 0.500 4.460 3.960 -0.000 0.000 0.293 323 G HA3 0.500 4.460 3.960 -0.000 0.000 0.293 323 G C -0.715 174.273 174.900 0.147 0.000 1.347 323 G CA -1.097 44.207 45.100 0.341 0.000 1.039 323 G HN 0.591 nan 8.290 nan 0.000 0.523 324 L N 0.339 121.587 121.223 0.042 0.000 2.543 324 L HA 0.262 4.602 4.340 -0.000 0.000 0.285 324 L C 1.621 178.473 176.870 -0.030 0.000 1.236 324 L CA 1.434 56.261 54.840 -0.022 0.000 0.871 324 L CB 0.216 42.225 42.059 -0.083 0.000 1.121 324 L HN 1.069 nan 8.230 nan 0.000 0.501 325 G N 2.444 111.235 108.800 -0.015 0.000 2.157 325 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.239 325 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.239 325 G C -0.415 174.487 174.900 0.003 0.000 0.982 325 G CA -0.122 44.982 45.100 0.006 0.000 0.650 325 G HN 0.411 nan 8.290 nan 0.000 0.527 326 M N -0.460 119.124 119.600 -0.027 0.000 2.238 326 M HA 0.654 5.134 4.480 -0.000 0.000 0.278 326 M C 0.241 176.411 176.300 -0.216 0.000 1.040 326 M CA -0.750 54.520 55.300 -0.050 0.000 0.969 326 M CB 1.738 34.407 32.600 0.116 0.000 1.694 326 M HN 0.391 nan 8.290 nan 0.000 0.472 327 E N 1.222 121.254 120.200 -0.279 0.000 3.132 327 E HA -0.314 4.036 4.350 -0.000 0.000 0.362 327 E C 0.472 176.977 176.600 -0.159 0.000 1.473 327 E CA 2.345 58.553 56.400 -0.319 0.000 1.471 327 E CB -0.866 28.431 29.700 -0.672 0.000 1.727 327 E HN 0.875 nan 8.360 nan 0.000 0.509 328 H N 1.185 120.174 119.070 -0.134 0.000 2.547 328 H HA 0.135 4.690 4.556 -0.000 0.000 0.266 328 H C 1.581 176.900 175.328 -0.016 0.000 0.988 328 H CA 1.236 57.249 56.048 -0.058 0.000 1.147 328 H CB -0.177 29.559 29.762 -0.044 0.000 1.365 328 H HN 0.261 nan 8.280 nan 0.000 0.589 329 L N 0.720 121.691 121.223 -0.419 0.000 2.910 329 L HA 0.251 4.591 4.340 -0.000 0.000 0.252 329 L C 2.481 179.294 176.870 -0.095 0.000 1.195 329 L CA -0.209 54.506 54.840 -0.208 0.000 1.003 329 L CB 0.154 42.100 42.059 -0.188 0.000 1.328 329 L HN 0.082 nan 8.230 nan 0.000 0.540 330 R N 1.265 121.713 120.500 -0.088 0.000 2.113 330 R HA -0.190 4.150 4.340 -0.000 0.000 0.244 330 R C 1.783 178.074 176.300 -0.016 0.000 1.142 330 R CA 1.997 58.071 56.100 -0.043 0.000 0.953 330 R CB -0.190 30.085 30.300 -0.041 0.000 0.860 330 R HN 0.405 nan 8.270 nan 0.000 0.438 331 G N -1.016 107.776 108.800 -0.012 0.000 3.126 331 G HA2 0.300 4.260 3.960 -0.000 0.000 0.224 331 G HA3 0.300 4.260 3.960 -0.000 0.000 0.224 331 G C -0.132 174.771 174.900 0.005 0.000 1.142 331 G CA 0.185 45.286 45.100 0.001 0.000 0.759 331 G HN 0.456 nan 8.290 nan 0.000 0.550 332 A N 0.419 123.239 122.820 -0.001 0.000 2.450 332 A HA 0.509 4.829 4.320 -0.000 0.000 0.255 332 A C 1.396 178.983 177.584 0.004 0.000 1.096 332 A CA -0.351 51.688 52.037 0.005 0.000 0.778 332 A CB 0.551 19.555 19.000 0.006 0.000 1.031 332 A HN 0.258 nan 8.150 nan 0.000 0.494 333 R N 1.123 121.626 120.500 0.005 0.000 2.080 333 R HA 0.204 4.544 4.340 -0.000 0.000 0.222 333 R C 0.558 176.850 176.300 -0.013 0.000 1.107 333 R CA 1.376 57.479 56.100 0.005 0.000 0.980 333 R CB 0.088 30.395 30.300 0.011 0.000 0.879 333 R HN 0.852 nan 8.270 nan 0.000 0.439 334 A N 0.454 123.256 122.820 -0.031 0.000 2.587 334 A HA 0.473 4.793 4.320 -0.000 0.000 0.293 334 A C -0.925 176.591 177.584 -0.113 0.000 1.087 334 A CA -0.791 51.197 52.037 -0.081 0.000 0.692 334 A CB 1.218 20.191 19.000 -0.045 0.000 1.291 334 A HN -0.053 nan 8.150 nan 0.000 0.407 335 I N 1.230 121.645 120.570 -0.258 0.000 2.575 335 I HA 0.534 4.704 4.170 -0.000 0.000 0.285 335 I C 0.734 176.808 176.117 -0.072 0.000 1.085 335 I CA 0.697 61.898 61.300 -0.164 0.000 1.403 335 I CB 0.684 38.451 38.000 -0.388 0.000 1.409 335 I HN 0.678 nan 8.210 nan 0.000 0.557 336 T N 2.496 117.070 114.554 0.034 0.000 2.762 336 T HA 0.200 4.550 4.350 -0.000 0.000 0.301 336 T C 0.890 175.625 174.700 0.058 0.000 1.299 336 T CA -0.214 61.893 62.100 0.011 0.000 1.005 336 T CB 1.636 70.511 68.868 0.012 0.000 1.377 336 T HN 0.653 nan 8.240 nan 0.000 0.504 337 S N 0.163 115.885 115.700 0.036 0.000 2.428 337 S HA -0.074 4.396 4.470 -0.000 0.000 0.230 337 S C 1.140 175.767 174.600 0.045 0.000 1.014 337 S CA 1.097 59.325 58.200 0.047 0.000 0.957 337 S CB -0.224 62.997 63.200 0.035 0.000 0.784 337 S HN 0.615 nan 8.310 nan 0.000 0.499 338 D N 2.430 122.854 120.400 0.041 0.000 2.277 338 D HA 0.003 4.643 4.640 -0.000 0.000 0.208 338 D C 1.441 177.770 176.300 0.048 0.000 0.962 338 D CA 1.001 55.023 54.000 0.036 0.000 0.865 338 D CB -0.201 40.618 40.800 0.031 0.000 0.939 338 D HN 0.752 nan 8.370 nan 0.000 0.510 339 N N -1.127 117.621 118.700 0.079 0.000 2.181 339 N HA -0.062 4.678 4.740 -0.000 0.000 0.207 339 N C 1.472 177.080 175.510 0.163 0.000 1.182 339 N CA 0.301 53.414 53.050 0.104 0.000 0.893 339 N CB -0.197 38.374 38.487 0.141 0.000 1.032 339 N HN -0.013 nan 8.380 nan 0.000 0.513 340 V N -0.247 119.782 119.914 0.193 0.000 2.324 340 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 340 V C 2.157 178.343 176.094 0.152 0.000 1.060 340 V CA 1.665 64.128 62.300 0.272 0.000 1.042 340 V CB -0.958 30.959 31.823 0.157 0.000 0.650 340 V HN 0.216 nan 8.190 nan 0.000 0.450 341 Q N 0.348 120.164 119.800 0.027 0.000 2.364 341 Q HA -0.183 4.157 4.340 -0.000 0.000 0.209 341 Q C 2.148 178.078 176.000 -0.118 0.000 0.977 341 Q CA 1.374 57.152 55.803 -0.042 0.000 0.885 341 Q CB -0.413 28.304 28.738 -0.034 0.000 0.941 341 Q HN 0.780 nan 8.270 nan 0.000 0.464 342 E N -0.483 119.574 120.200 -0.238 0.000 2.333 342 E HA -0.122 4.228 4.350 -0.000 0.000 0.198 342 E C 0.669 176.939 176.600 -0.551 0.000 1.007 342 E CA 0.503 56.652 56.400 -0.419 0.000 0.845 342 E CB -0.049 29.318 29.700 -0.554 0.000 0.766 342 E HN 0.319 nan 8.360 nan 0.000 0.507 343 F N 0.570 120.513 119.950 -0.011 0.000 2.765 343 F HA 0.119 4.646 4.527 -0.000 0.000 0.302 343 F C 0.598 176.341 175.800 -0.094 0.000 1.111 343 F CA -0.408 57.570 58.000 -0.036 0.000 1.359 343 F CB -0.086 38.881 39.000 -0.054 0.000 1.097 343 F HN -0.196 nan 8.300 nan 0.000 0.577 344 D N 0.230 120.621 120.400 -0.015 0.000 2.487 344 D HA 0.310 4.950 4.640 -0.000 0.000 0.243 344 D C 1.340 177.645 176.300 0.009 0.000 1.154 344 D CA 1.587 55.572 54.000 -0.025 0.000 0.876 344 D CB 0.467 41.243 40.800 -0.040 0.000 1.161 344 D HN 0.417 nan 8.370 nan 0.000 0.478 345 G N 2.831 111.641 108.800 0.017 0.000 2.162 345 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 345 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 345 G C 0.431 175.366 174.900 0.058 0.000 0.976 345 G CA 0.178 45.296 45.100 0.029 0.000 0.655 345 G HN 0.685 nan 8.290 nan 0.000 0.533 346 c N 0.803 119.462 118.600 0.098 0.000 2.555 346 c HA 0.431 5.001 4.570 -0.000 0.000 0.385 346 c C 1.881 176.048 174.090 0.129 0.000 1.296 346 c CA 0.216 56.628 56.329 0.139 0.000 1.757 346 c CB 0.560 43.218 42.510 0.247 0.000 2.445 346 c HN 0.563 nan 8.230 nan 0.000 0.571 347 K N 1.259 121.714 120.400 0.091 0.000 2.186 347 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 347 K C 0.827 177.453 176.600 0.044 0.000 1.052 347 K CA 1.005 57.331 56.287 0.066 0.000 0.965 347 K CB 0.194 32.719 32.500 0.043 0.000 0.746 347 K HN 0.574 nan 8.250 nan 0.000 0.457 348 K N 0.908 121.330 120.400 0.038 0.000 2.471 348 K HA 0.337 4.657 4.320 -0.000 0.000 0.252 348 K C -1.504 175.071 176.600 -0.041 0.000 0.938 348 K CA -0.412 55.836 56.287 -0.065 0.000 0.796 348 K CB 1.295 33.706 32.500 -0.147 0.000 1.161 348 K HN -0.096 nan 8.250 nan 0.000 0.425 349 I N 4.936 125.446 120.570 -0.100 0.000 2.355 349 I HA 0.259 4.429 4.170 -0.000 0.000 0.288 349 I C -0.854 175.171 176.117 -0.153 0.000 0.999 349 I CA -0.799 60.511 61.300 0.017 0.000 1.163 349 I CB 0.774 38.829 38.000 0.091 0.000 1.316 349 I HN 0.510 nan 8.210 nan 0.000 0.454 350 F N 5.910 125.857 119.950 -0.005 0.000 2.434 350 F HA 0.583 5.109 4.527 -0.000 0.000 0.358 350 F C 1.086 176.954 175.800 0.114 0.000 1.136 350 F CA 0.086 58.100 58.000 0.023 0.000 1.157 350 F CB 0.295 39.274 39.000 -0.034 0.000 1.167 350 F HN 0.632 nan 8.300 nan 0.000 0.539 351 G N 1.510 110.395 108.800 0.141 0.000 2.298 351 G HA2 0.156 4.116 3.960 -0.000 0.000 0.309 351 G HA3 0.156 4.116 3.960 -0.000 0.000 0.309 351 G C -1.218 173.620 174.900 -0.105 0.000 1.279 351 G CA -0.964 44.173 45.100 0.062 0.000 1.042 351 G HN 0.554 nan 8.290 nan 0.000 0.480 352 S N -0.971 114.596 115.700 -0.222 0.000 2.638 352 S HA 0.840 5.310 4.470 -0.000 0.000 0.302 352 S C -0.447 173.917 174.600 -0.393 0.000 1.096 352 S CA -0.678 57.232 58.200 -0.482 0.000 0.953 352 S CB 1.645 64.187 63.200 -1.096 0.000 1.107 352 S HN 0.693 nan 8.310 nan 0.000 0.503 353 L N 1.591 122.569 121.223 -0.409 0.000 2.341 353 L HA 0.839 5.179 4.340 -0.000 0.000 0.278 353 L C -0.419 176.310 176.870 -0.235 0.000 1.005 353 L CA -0.667 53.954 54.840 -0.365 0.000 0.818 353 L CB 1.651 43.527 42.059 -0.305 0.000 1.259 353 L HN 0.754 nan 8.230 nan 0.000 0.418 354 A N 3.247 125.872 122.820 -0.324 0.000 2.398 354 A HA 0.834 5.153 4.320 -0.000 0.000 0.301 354 A C -1.463 175.964 177.584 -0.261 0.000 1.041 354 A CA -0.313 51.721 52.037 -0.005 0.000 0.711 354 A CB 0.954 20.003 19.000 0.082 0.000 1.240 354 A HN 0.490 nan 8.150 nan 0.000 0.420 355 F N 2.555 122.671 119.950 0.277 0.000 2.460 355 F HA 0.604 5.131 4.527 -0.000 0.000 0.341 355 F C -0.025 175.955 175.800 0.299 0.000 1.130 355 F CA -0.388 57.767 58.000 0.258 0.000 0.962 355 F CB 1.596 40.878 39.000 0.471 0.000 1.171 355 F HN 0.409 nan 8.300 nan 0.000 0.436 356 L N 3.896 125.307 121.223 0.314 0.000 2.286 356 L HA 0.525 4.865 4.340 -0.000 0.000 0.265 356 L C -1.667 175.364 176.870 0.269 0.000 1.012 356 L CA -2.206 52.807 54.840 0.288 0.000 0.818 356 L CB 1.617 43.789 42.059 0.190 0.000 1.337 356 L HN 0.208 nan 8.230 nan 0.000 0.438 357 P HA -0.224 nan 4.420 nan 0.000 0.217 357 P C 1.128 178.529 177.300 0.169 0.000 1.151 357 P CA 1.419 64.654 63.100 0.225 0.000 0.849 357 P CB 0.079 31.875 31.700 0.160 0.000 0.787 358 E N -0.844 119.421 120.200 0.109 0.000 2.153 358 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 358 E C 1.768 178.371 176.600 0.007 0.000 0.988 358 E CA 1.213 57.649 56.400 0.060 0.000 0.811 358 E CB -1.082 28.645 29.700 0.045 0.000 0.746 358 E HN 0.120 nan 8.360 nan 0.000 0.466 359 S N 0.599 116.260 115.700 -0.065 0.000 2.374 359 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 359 S C 1.382 175.741 174.600 -0.402 0.000 1.037 359 S CA 1.584 59.605 58.200 -0.297 0.000 1.024 359 S CB -0.291 62.591 63.200 -0.531 0.000 0.861 359 S HN 0.365 nan 8.310 nan 0.000 0.456 360 F N 0.524 120.544 119.950 0.117 0.000 2.731 360 F HA 0.234 4.761 4.527 -0.000 0.000 0.298 360 F C 1.686 177.517 175.800 0.052 0.000 1.106 360 F CA -0.233 57.810 58.000 0.072 0.000 1.329 360 F CB 0.241 39.273 39.000 0.055 0.000 1.100 360 F HN 0.043 nan 8.300 nan 0.000 0.592 361 D N -0.053 120.455 120.400 0.180 0.000 2.277 361 D HA 0.183 4.823 4.640 -0.000 0.000 0.209 361 D C 1.700 178.047 176.300 0.079 0.000 0.970 361 D CA 1.362 55.434 54.000 0.119 0.000 0.874 361 D CB -0.249 40.612 40.800 0.100 0.000 0.982 361 D HN 0.228 nan 8.370 nan 0.000 0.504 362 G N 1.005 109.840 108.800 0.059 0.000 2.698 362 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.233 362 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.233 362 G C -0.781 174.142 174.900 0.038 0.000 1.352 362 G CA 0.016 45.139 45.100 0.040 0.000 0.879 362 G HN 0.293 nan 8.290 nan 0.000 0.567 363 D N -0.356 120.063 120.400 0.031 0.000 2.452 363 D HA 0.482 5.122 4.640 -0.000 0.000 0.226 363 D C -1.976 174.339 176.300 0.025 0.000 1.366 363 D CA -1.338 52.679 54.000 0.028 0.000 0.986 363 D CB 1.531 42.346 40.800 0.025 0.000 1.420 363 D HN 0.074 nan 8.370 nan 0.000 0.583 364 P HA 0.067 nan 4.420 nan 0.000 0.242 364 P C 0.729 178.040 177.300 0.018 0.000 1.197 364 P CA 0.424 63.537 63.100 0.021 0.000 0.765 364 P CB 0.412 32.125 31.700 0.021 0.000 0.936 365 S N -1.897 113.813 115.700 0.018 0.000 2.427 365 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 365 S C 1.964 176.573 174.600 0.015 0.000 1.047 365 S CA 0.475 58.685 58.200 0.016 0.000 0.953 365 S CB -0.789 62.421 63.200 0.016 0.000 0.824 365 S HN 0.031 nan 8.310 nan 0.000 0.502 366 S N 0.313 116.022 115.700 0.016 0.000 2.461 366 S HA 0.303 4.773 4.470 -0.000 0.000 0.228 366 S C 1.583 176.191 174.600 0.014 0.000 1.005 366 S CA 0.749 58.958 58.200 0.015 0.000 0.942 366 S CB -0.221 62.989 63.200 0.016 0.000 0.776 366 S HN 0.878 nan 8.310 nan 0.000 0.514 367 G N 1.238 110.047 108.800 0.016 0.000 2.141 367 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.242 367 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.242 367 G C 0.118 175.028 174.900 0.017 0.000 0.982 367 G CA -0.064 45.045 45.100 0.015 0.000 0.662 367 G HN 0.511 nan 8.290 nan 0.000 0.527 368 I N 1.890 122.471 120.570 0.019 0.000 2.576 368 I HA 0.367 4.537 4.170 -0.000 0.000 0.288 368 I C 1.362 177.493 176.117 0.023 0.000 1.126 368 I CA 0.165 61.477 61.300 0.020 0.000 1.362 368 I CB 0.448 38.460 38.000 0.019 0.000 1.419 368 I HN 0.372 nan 8.210 nan 0.000 0.533 369 A N 9.989 132.823 122.820 0.024 0.000 2.540 369 A HA 0.243 4.563 4.320 -0.000 0.000 0.239 369 A C -2.017 175.587 177.584 0.034 0.000 1.061 369 A CA -0.945 51.109 52.037 0.029 0.000 0.758 369 A CB -0.624 18.392 19.000 0.027 0.000 0.991 369 A HN 0.492 nan 8.150 nan 0.000 0.502 370 P HA 0.018 nan 4.420 nan 0.000 0.265 370 P C -0.255 177.089 177.300 0.074 0.000 1.187 370 P CA -0.150 62.990 63.100 0.067 0.000 0.766 370 P CB 0.295 32.052 31.700 0.094 0.000 0.820 371 L N 4.699 125.960 121.223 0.064 0.000 2.562 371 L HA 0.027 4.367 4.340 -0.000 0.000 0.271 371 L C 0.826 177.821 176.870 0.208 0.000 1.167 371 L CA 0.537 55.431 54.840 0.091 0.000 0.917 371 L CB -0.429 41.596 42.059 -0.057 0.000 1.187 371 L HN 0.258 nan 8.230 nan 0.000 0.482 372 R N 6.593 127.167 120.500 0.122 0.000 2.390 372 R HA 0.204 4.544 4.340 -0.000 0.000 0.291 372 R C -1.497 174.831 176.300 0.048 0.000 1.070 372 R CA -1.453 54.694 56.100 0.077 0.000 1.014 372 R CB 0.147 30.467 30.300 0.034 0.000 1.007 372 R HN 0.481 nan 8.270 nan 0.000 0.466 373 P HA -0.220 nan 4.420 nan 0.000 0.217 373 P C 0.283 177.532 177.300 -0.086 0.000 1.148 373 P CA 1.396 64.410 63.100 -0.143 0.000 0.834 373 P CB 0.299 31.878 31.700 -0.201 0.000 0.783 374 E N -0.366 119.805 120.200 -0.047 0.000 2.110 374 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 374 E C 2.137 178.726 176.600 -0.019 0.000 0.988 374 E CA 1.111 57.491 56.400 -0.033 0.000 0.804 374 E CB -0.937 28.748 29.700 -0.024 0.000 0.745 374 E HN 0.378 nan 8.360 nan 0.000 0.458 375 Q N 0.087 119.889 119.800 0.004 0.000 2.226 375 Q HA -0.059 4.281 4.340 -0.000 0.000 0.204 375 Q C 1.939 177.948 176.000 0.015 0.000 0.975 375 Q CA 0.780 56.592 55.803 0.015 0.000 0.866 375 Q CB -0.113 28.655 28.738 0.051 0.000 0.915 375 Q HN 0.314 nan 8.270 nan 0.000 0.440 376 L N 0.335 121.593 121.223 0.058 0.000 2.349 376 L HA -0.234 4.106 4.340 -0.000 0.000 0.220 376 L C 1.973 178.892 176.870 0.081 0.000 1.130 376 L CA 0.968 55.896 54.840 0.147 0.000 0.791 376 L CB -0.310 41.758 42.059 0.015 0.000 0.918 376 L HN 0.319 nan 8.230 nan 0.000 0.444 377 Q N -0.893 118.898 119.800 -0.015 0.000 2.436 377 Q HA -0.112 4.228 4.340 -0.000 0.000 0.209 377 Q C 2.249 178.207 176.000 -0.070 0.000 0.965 377 Q CA 0.437 56.223 55.803 -0.028 0.000 0.910 377 Q CB 0.073 28.792 28.738 -0.032 0.000 0.980 377 Q HN 0.316 nan 8.270 nan 0.000 0.491 378 V N 0.145 119.959 119.914 -0.167 0.000 2.828 378 V HA -0.223 3.897 4.120 -0.000 0.000 0.260 378 V C 1.037 176.936 176.094 -0.326 0.000 1.101 378 V CA 1.591 63.736 62.300 -0.258 0.000 1.123 378 V CB -0.347 31.282 31.823 -0.323 0.000 0.704 378 V HN 0.358 nan 8.190 nan 0.000 0.493 379 F N 0.214 120.182 119.950 0.030 0.000 2.797 379 F HA 0.082 4.609 4.527 -0.000 0.000 0.302 379 F C 2.013 177.811 175.800 -0.003 0.000 1.130 379 F CA 0.406 58.418 58.000 0.020 0.000 1.387 379 F CB -0.210 38.733 39.000 -0.095 0.000 1.107 379 F HN 0.320 nan 8.300 nan 0.000 0.577 380 E N -0.442 119.815 120.200 0.095 0.000 2.267 380 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 380 E C 1.554 178.196 176.600 0.070 0.000 0.998 380 E CA 1.602 58.037 56.400 0.058 0.000 0.830 380 E CB -0.753 28.957 29.700 0.017 0.000 0.751 380 E HN 0.249 nan 8.360 nan 0.000 0.491 381 T N 1.055 115.660 114.554 0.085 0.000 2.985 381 T HA 0.032 4.382 4.350 -0.000 0.000 0.266 381 T C 0.776 175.538 174.700 0.103 0.000 1.076 381 T CA 0.033 62.179 62.100 0.077 0.000 1.135 381 T CB 0.015 68.925 68.868 0.069 0.000 0.890 381 T HN 0.131 nan 8.240 nan 0.000 0.480 382 L N 2.536 123.860 121.223 0.169 0.000 2.513 382 L HA 0.051 4.391 4.340 -0.000 0.000 0.272 382 L C 0.969 177.903 176.870 0.108 0.000 1.187 382 L CA 0.664 55.614 54.840 0.184 0.000 0.895 382 L CB 0.514 42.768 42.059 0.325 0.000 1.147 382 L HN 0.281 nan 8.230 nan 0.000 0.483 383 E N 2.835 123.068 120.200 0.056 0.000 2.399 383 E HA 0.087 4.437 4.350 -0.000 0.000 0.205 383 E C -0.191 176.397 176.600 -0.021 0.000 0.906 383 E CA 0.034 56.441 56.400 0.012 0.000 0.998 383 E CB 1.074 30.776 29.700 0.003 0.000 1.002 383 E HN 0.592 nan 8.360 nan 0.000 0.501 384 E N 0.989 121.168 120.200 -0.034 0.000 2.321 384 E HA 0.390 4.740 4.350 -0.000 0.000 0.278 384 E C -1.567 174.964 176.600 -0.114 0.000 0.902 384 E CA -0.382 55.968 56.400 -0.084 0.000 0.758 384 E CB 1.700 31.332 29.700 -0.114 0.000 1.213 384 E HN -0.057 nan 8.360 nan 0.000 0.426 385 I N 3.771 124.265 120.570 -0.127 0.000 2.418 385 I HA 0.166 4.336 4.170 -0.000 0.000 0.287 385 I C 1.331 177.359 176.117 -0.148 0.000 1.008 385 I CA -0.385 60.827 61.300 -0.146 0.000 1.104 385 I CB 2.030 39.941 38.000 -0.149 0.000 1.264 385 I HN 0.762 nan 8.210 nan 0.000 0.438 386 T N 1.179 115.622 114.554 -0.185 0.000 3.023 386 T HA 0.092 4.442 4.350 -0.000 0.000 0.266 386 T C 1.070 175.728 174.700 -0.070 0.000 1.093 386 T CA 0.650 62.662 62.100 -0.147 0.000 1.129 386 T CB 0.103 68.861 68.868 -0.183 0.000 0.899 386 T HN 0.655 nan 8.240 nan 0.000 0.491 387 G N 0.879 109.633 108.800 -0.078 0.000 3.329 387 G HA2 0.535 4.495 3.960 -0.000 0.000 0.180 387 G HA3 0.535 4.495 3.960 -0.000 0.000 0.180 387 G C -0.500 174.412 174.900 0.021 0.000 1.640 387 G CA -0.523 44.550 45.100 -0.044 0.000 1.018 387 G HN 0.647 nan 8.290 nan 0.000 0.581 388 Y N -1.883 118.426 120.300 0.016 0.000 2.598 388 Y HA 0.784 5.333 4.550 -0.000 0.000 0.340 388 Y C -0.972 174.922 175.900 -0.011 0.000 1.038 388 Y CA -1.891 56.225 58.100 0.028 0.000 1.100 388 Y CB 1.591 40.113 38.460 0.103 0.000 1.281 388 Y HN 0.382 nan 8.280 nan 0.000 0.488 389 L N 3.224 124.555 121.223 0.179 0.000 2.296 389 L HA 0.477 4.817 4.340 -0.000 0.000 0.286 389 L C -1.759 175.262 176.870 0.252 0.000 1.023 389 L CA -0.873 54.006 54.840 0.065 0.000 0.812 389 L CB 0.768 42.717 42.059 -0.183 0.000 1.223 389 L HN 0.751 nan 8.230 nan 0.000 0.421 390 Y N 5.958 126.350 120.300 0.154 0.000 2.329 390 Y HA 0.674 5.224 4.550 -0.000 0.000 0.328 390 Y C -1.183 174.795 175.900 0.130 0.000 0.992 390 Y CA -0.826 57.327 58.100 0.087 0.000 1.151 390 Y CB 1.187 39.692 38.460 0.075 0.000 1.150 390 Y HN 0.510 nan 8.280 nan 0.000 0.450 391 I N 5.496 125.868 120.570 -0.331 0.000 2.439 391 I HA 0.256 4.426 4.170 -0.000 0.000 0.283 391 I C 0.134 176.111 176.117 -0.232 0.000 1.023 391 I CA -0.361 60.899 61.300 -0.066 0.000 1.100 391 I CB 2.014 39.951 38.000 -0.104 0.000 1.238 391 I HN 0.647 nan 8.210 nan 0.000 0.445 392 S N 4.032 119.730 115.700 -0.003 0.000 2.632 392 S HA 0.565 5.034 4.470 -0.000 0.000 0.237 392 S C 0.116 174.817 174.600 0.168 0.000 1.037 392 S CA 0.052 58.254 58.200 0.005 0.000 1.009 392 S CB 0.469 63.780 63.200 0.184 0.000 0.974 392 S HN 0.758 nan 8.310 nan 0.000 0.544 393 A N 0.523 123.542 122.820 0.332 0.000 2.594 393 A HA 0.696 5.016 4.320 -0.000 0.000 0.295 393 A C -1.942 175.964 177.584 0.536 0.000 1.071 393 A CA -0.576 51.690 52.037 0.382 0.000 0.685 393 A CB 1.111 20.388 19.000 0.461 0.000 1.285 393 A HN 0.468 nan 8.150 nan 0.000 0.405 394 W N 1.730 122.970 121.300 -0.100 0.000 3.363 394 W HA 0.462 5.122 4.660 -0.000 0.000 0.306 394 W C -3.115 173.057 176.519 -0.579 0.000 1.253 394 W CA -1.681 55.413 57.345 -0.419 0.000 1.195 394 W CB 1.685 31.038 29.460 -0.180 0.000 1.366 394 W HN 0.573 nan 8.180 nan 0.000 0.551 395 P HA 0.001 nan 4.420 nan 0.000 0.265 395 P C 0.760 177.878 177.300 -0.303 0.000 1.193 395 P CA 0.664 63.338 63.100 -0.710 0.000 0.765 395 P CB 0.659 31.902 31.700 -0.762 0.000 0.823 396 D N 0.993 121.299 120.400 -0.157 0.000 2.264 396 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 396 D C 1.058 177.339 176.300 -0.032 0.000 0.966 396 D CA 1.276 55.255 54.000 -0.036 0.000 0.864 396 D CB -0.400 40.395 40.800 -0.008 0.000 0.933 396 D HN 0.412 nan 8.370 nan 0.000 0.499 397 S N 0.141 115.785 115.700 -0.093 0.000 2.489 397 S HA 0.014 4.483 4.470 -0.000 0.000 0.228 397 S C 1.228 175.790 174.600 -0.064 0.000 0.995 397 S CA -0.232 57.923 58.200 -0.074 0.000 0.934 397 S CB -0.439 62.706 63.200 -0.091 0.000 0.771 397 S HN 0.210 nan 8.310 nan 0.000 0.522 398 L N 2.244 123.416 121.223 -0.085 0.000 2.259 398 L HA 0.429 4.769 4.340 -0.000 0.000 0.288 398 L C 1.376 178.347 176.870 0.168 0.000 1.051 398 L CA -0.453 54.394 54.840 0.012 0.000 0.824 398 L CB 0.879 42.885 42.059 -0.089 0.000 1.206 398 L HN 0.151 nan 8.230 nan 0.000 0.429 399 R N 1.198 121.778 120.500 0.133 0.000 2.276 399 R HA -0.027 4.313 4.340 -0.000 0.000 0.203 399 R C -0.125 176.295 176.300 0.200 0.000 1.017 399 R CA 0.553 56.758 56.100 0.175 0.000 1.010 399 R CB 0.056 30.389 30.300 0.055 0.000 0.900 399 R HN 0.743 nan 8.270 nan 0.000 0.469 400 D N -1.977 118.534 120.400 0.186 0.000 2.664 400 D HA 0.041 4.681 4.640 -0.000 0.000 0.292 400 D C 0.069 176.443 176.300 0.122 0.000 1.214 400 D CA -0.752 53.322 54.000 0.124 0.000 0.932 400 D CB 0.421 41.263 40.800 0.069 0.000 1.420 400 D HN -0.165 nan 8.370 nan 0.000 0.471 401 L N 0.725 121.928 121.223 -0.034 0.000 2.688 401 L HA 0.174 4.514 4.340 -0.000 0.000 0.234 401 L C 1.629 178.509 176.870 0.017 0.000 1.192 401 L CA -0.200 54.567 54.840 -0.122 0.000 0.984 401 L CB -0.339 41.578 42.059 -0.237 0.000 1.232 401 L HN 0.281 nan 8.230 nan 0.000 0.465 402 S N 0.641 116.366 115.700 0.042 0.000 2.407 402 S HA -0.193 4.277 4.470 -0.000 0.000 0.235 402 S C 2.125 176.717 174.600 -0.012 0.000 1.036 402 S CA 1.750 59.955 58.200 0.008 0.000 1.013 402 S CB -0.222 62.986 63.200 0.013 0.000 0.820 402 S HN 0.561 nan 8.310 nan 0.000 0.476 403 V N -1.256 118.647 119.914 -0.017 0.000 2.828 403 V HA -0.047 4.073 4.120 -0.000 0.000 0.260 403 V C 1.092 177.003 176.094 -0.304 0.000 1.101 403 V CA 1.553 63.762 62.300 -0.153 0.000 1.123 403 V CB -1.047 30.677 31.823 -0.165 0.000 0.704 403 V HN 0.520 nan 8.190 nan 0.000 0.493 404 F N -0.064 119.886 119.950 -0.001 0.000 2.730 404 F HA 0.386 4.913 4.527 -0.000 0.000 0.295 404 F C 2.054 177.779 175.800 -0.125 0.000 1.143 404 F CA -0.031 57.927 58.000 -0.071 0.000 1.367 404 F CB -0.130 38.774 39.000 -0.160 0.000 0.970 404 F HN 0.095 nan 8.300 nan 0.000 0.514 405 Q N 0.832 120.636 119.800 0.008 0.000 2.217 405 Q HA -0.250 4.090 4.340 -0.000 0.000 0.209 405 Q C 1.038 176.991 176.000 -0.078 0.000 0.988 405 Q CA 1.872 57.635 55.803 -0.067 0.000 0.878 405 Q CB -0.162 28.546 28.738 -0.050 0.000 0.909 405 Q HN 0.579 nan 8.270 nan 0.000 0.424 406 N N -0.681 118.007 118.700 -0.020 0.000 2.236 406 N HA 0.086 4.826 4.740 -0.000 0.000 0.196 406 N C -0.739 174.759 175.510 -0.020 0.000 1.114 406 N CA -0.426 52.610 53.050 -0.022 0.000 0.859 406 N CB 0.475 38.965 38.487 0.004 0.000 0.982 406 N HN 0.066 nan 8.380 nan 0.000 0.493 407 L N 1.978 123.193 121.223 -0.012 0.000 2.562 407 L HA 0.057 4.397 4.340 -0.000 0.000 0.271 407 L C 0.965 177.776 176.870 -0.098 0.000 1.167 407 L CA 0.439 55.258 54.840 -0.035 0.000 0.917 407 L CB 0.366 42.400 42.059 -0.042 0.000 1.187 407 L HN 0.058 nan 8.230 nan 0.000 0.482 408 R N 5.216 125.673 120.500 -0.071 0.000 2.175 408 R HA 0.351 4.691 4.340 -0.000 0.000 0.202 408 R C -0.416 175.850 176.300 -0.056 0.000 1.018 408 R CA 0.489 56.548 56.100 -0.068 0.000 1.029 408 R CB 0.196 30.470 30.300 -0.043 0.000 0.959 408 R HN 0.582 nan 8.270 nan 0.000 0.480 409 I N 0.511 121.049 120.570 -0.052 0.000 2.607 409 I HA 0.361 4.531 4.170 -0.000 0.000 0.290 409 I C -0.853 175.237 176.117 -0.045 0.000 1.129 409 I CA -0.785 60.497 61.300 -0.030 0.000 1.042 409 I CB 2.713 40.697 38.000 -0.026 0.000 1.242 409 I HN -0.148 nan 8.210 nan 0.000 0.421 410 I N 5.396 125.957 120.570 -0.016 0.000 2.359 410 I HA 0.399 4.569 4.170 -0.000 0.000 0.284 410 I C 1.293 177.423 176.117 0.022 0.000 1.018 410 I CA -0.577 60.714 61.300 -0.015 0.000 1.173 410 I CB 1.328 39.330 38.000 0.004 0.000 1.326 410 I HN 0.633 nan 8.210 nan 0.000 0.462 411 R N 4.204 124.698 120.500 -0.009 0.000 2.081 411 R HA -0.061 4.278 4.340 -0.000 0.000 0.235 411 R C 1.433 177.755 176.300 0.035 0.000 1.131 411 R CA 1.081 57.181 56.100 0.001 0.000 0.960 411 R CB -0.227 30.040 30.300 -0.056 0.000 0.856 411 R HN 1.010 nan 8.270 nan 0.000 0.436 412 G N 1.128 109.957 108.800 0.048 0.000 2.176 412 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.252 412 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.252 412 G C 0.691 175.622 174.900 0.052 0.000 1.024 412 G CA 0.604 45.757 45.100 0.088 0.000 0.755 412 G HN 0.343 nan 8.290 nan 0.000 0.507 413 R N -1.144 119.361 120.500 0.010 0.000 2.235 413 R HA 0.157 4.497 4.340 -0.000 0.000 0.213 413 R C 0.641 176.954 176.300 0.023 0.000 1.059 413 R CA 0.933 57.012 56.100 -0.034 0.000 0.997 413 R CB 0.095 30.350 30.300 -0.076 0.000 0.884 413 R HN 0.524 nan 8.270 nan 0.000 0.462 414 I N 0.400 121.027 120.570 0.094 0.000 2.545 414 I HA 0.302 4.471 4.170 -0.000 0.000 0.292 414 I C -0.779 175.518 176.117 0.299 0.000 1.040 414 I CA -0.501 60.900 61.300 0.168 0.000 1.068 414 I CB 2.163 40.274 38.000 0.185 0.000 1.251 414 I HN -0.185 nan 8.210 nan 0.000 0.424 415 L N 4.146 125.493 121.223 0.207 0.000 2.408 415 L HA 0.454 4.794 4.340 -0.000 0.000 0.268 415 L C -0.113 176.648 176.870 -0.180 0.000 0.986 415 L CA -0.851 54.039 54.840 0.084 0.000 0.820 415 L CB 1.808 43.868 42.059 0.001 0.000 1.303 415 L HN 0.581 nan 8.230 nan 0.000 0.411 416 H N 3.539 122.190 119.070 -0.699 0.000 2.964 416 H HA -0.061 4.495 4.556 -0.000 0.000 0.328 416 H C -0.294 174.941 175.328 -0.155 0.000 1.030 416 H CA 0.802 56.446 56.048 -0.674 0.000 1.445 416 H CB 0.831 30.197 29.762 -0.660 0.000 1.449 416 H HN 0.690 nan 8.280 nan 0.000 0.581 417 D N 3.609 123.605 120.400 -0.673 0.000 2.860 417 D HA -0.191 4.449 4.640 -0.000 0.000 0.229 417 D C 1.205 177.413 176.300 -0.153 0.000 1.169 417 D CA 1.487 55.293 54.000 -0.324 0.000 0.737 417 D CB -1.475 39.224 40.800 -0.168 0.000 1.080 417 D HN 0.992 nan 8.370 nan 0.000 0.424 418 G N -1.299 107.415 108.800 -0.144 0.000 2.186 418 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.266 418 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.266 418 G C 0.974 175.777 174.900 -0.162 0.000 0.982 418 G CA 1.240 46.280 45.100 -0.099 0.000 0.670 418 G HN 1.075 nan 8.290 nan 0.000 0.533 419 A N -1.599 121.067 122.820 -0.256 0.000 2.009 419 A HA 0.655 4.975 4.320 -0.000 0.000 0.197 419 A C 0.410 177.620 177.584 -0.622 0.000 1.471 419 A CA 0.524 52.244 52.037 -0.528 0.000 0.973 419 A CB 0.587 19.090 19.000 -0.830 0.000 1.020 419 A HN 0.604 nan 8.150 nan 0.000 0.476 420 Y N 0.708 120.983 120.300 -0.042 0.000 2.328 420 Y HA 0.388 4.937 4.550 -0.000 0.000 0.337 420 Y C 1.384 177.297 175.900 0.021 0.000 0.966 420 Y CA -0.115 57.979 58.100 -0.010 0.000 1.136 420 Y CB 1.849 40.328 38.460 0.032 0.000 1.170 420 Y HN 0.189 nan 8.280 nan 0.000 0.470 421 S N 2.287 118.100 115.700 0.188 0.000 2.524 421 S HA 0.185 4.655 4.470 -0.000 0.000 0.216 421 S C -0.137 174.592 174.600 0.216 0.000 0.987 421 S CA 0.045 58.371 58.200 0.211 0.000 0.909 421 S CB 0.213 63.511 63.200 0.165 0.000 0.781 421 S HN 0.471 nan 8.310 nan 0.000 0.521 422 L N 1.509 122.843 121.223 0.184 0.000 2.541 422 L HA 0.593 4.933 4.340 -0.000 0.000 0.266 422 L C -1.495 175.397 176.870 0.037 0.000 0.966 422 L CA 0.120 55.023 54.840 0.105 0.000 0.871 422 L CB 1.809 43.931 42.059 0.105 0.000 1.232 422 L HN 0.046 nan 8.230 nan 0.000 0.408 423 T N 6.237 120.760 114.554 -0.052 0.000 2.824 423 T HA 0.747 5.097 4.350 -0.000 0.000 0.282 423 T C -0.753 173.769 174.700 -0.296 0.000 0.993 423 T CA -0.313 61.653 62.100 -0.223 0.000 0.967 423 T CB 1.265 69.914 68.868 -0.364 0.000 0.960 423 T HN 0.467 nan 8.240 nan 0.000 0.441 424 L N 3.384 124.481 121.223 -0.210 0.000 2.404 424 L HA 0.629 4.969 4.340 -0.000 0.000 0.272 424 L C -0.411 176.388 176.870 -0.119 0.000 0.980 424 L CA -0.749 53.978 54.840 -0.189 0.000 0.836 424 L CB 1.827 43.806 42.059 -0.134 0.000 1.238 424 L HN 0.549 nan 8.230 nan 0.000 0.408 425 Q N 2.432 122.128 119.800 -0.174 0.000 2.305 425 Q HA 0.525 4.865 4.340 -0.000 0.000 0.271 425 Q C 0.539 176.422 176.000 -0.194 0.000 1.046 425 Q CA -0.088 55.595 55.803 -0.200 0.000 0.798 425 Q CB 2.332 30.997 28.738 -0.122 0.000 1.286 425 Q HN 0.821 nan 8.270 nan 0.000 0.435 426 G N 3.583 112.235 108.800 -0.247 0.000 2.305 426 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.287 426 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.287 426 G C -0.245 174.610 174.900 -0.076 0.000 1.036 426 G CA 0.849 45.854 45.100 -0.159 0.000 0.887 426 G HN 0.459 nan 8.290 nan 0.000 0.505 427 L N -1.297 119.885 121.223 -0.069 0.000 2.387 427 L HA 0.664 5.004 4.340 -0.000 0.000 0.266 427 L C 1.639 178.512 176.870 0.006 0.000 1.059 427 L CA -0.276 54.562 54.840 -0.003 0.000 0.801 427 L CB 1.300 43.354 42.059 -0.008 0.000 1.223 427 L HN 0.101 nan 8.230 nan 0.000 0.456 428 G N 0.860 109.708 108.800 0.080 0.000 3.284 428 G HA2 0.230 4.190 3.960 -0.000 0.000 0.236 428 G HA3 0.230 4.190 3.960 -0.000 0.000 0.236 428 G C 0.472 175.470 174.900 0.163 0.000 1.158 428 G CA -0.279 44.909 45.100 0.147 0.000 0.774 428 G HN 0.527 nan 8.290 nan 0.000 0.545 429 I N -2.865 117.779 120.570 0.124 0.000 2.754 429 I HA 0.234 4.404 4.170 -0.000 0.000 0.285 429 I C 0.994 177.189 176.117 0.131 0.000 1.166 429 I CA -0.285 61.111 61.300 0.161 0.000 1.417 429 I CB 0.617 38.666 38.000 0.081 0.000 1.382 429 I HN -0.006 nan 8.210 nan 0.000 0.588 430 H N 3.050 122.210 119.070 0.150 0.000 2.486 430 H HA 0.136 4.692 4.556 -0.000 0.000 0.287 430 H C 0.675 176.152 175.328 0.249 0.000 1.010 430 H CA 0.721 56.880 56.048 0.185 0.000 1.324 430 H CB 0.553 30.408 29.762 0.155 0.000 1.446 430 H HN 0.856 nan 8.280 nan 0.000 0.537 431 S N -0.719 115.174 115.700 0.322 0.000 2.732 431 S HA 0.350 4.819 4.470 -0.000 0.000 0.293 431 S C 0.672 175.382 174.600 0.183 0.000 1.159 431 S CA -0.839 57.537 58.200 0.292 0.000 0.847 431 S CB 1.706 64.962 63.200 0.094 0.000 1.169 431 S HN 0.021 nan 8.310 nan 0.000 0.501 432 L N 0.242 121.584 121.223 0.198 0.000 2.189 432 L HA 0.374 4.714 4.340 -0.000 0.000 0.199 432 L C 2.258 179.176 176.870 0.080 0.000 1.074 432 L CA 0.786 55.734 54.840 0.180 0.000 0.783 432 L CB -1.029 41.258 42.059 0.379 0.000 0.955 432 L HN 1.157 nan 8.230 nan 0.000 0.460 433 G N 0.455 109.311 108.800 0.093 0.000 2.220 433 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.269 433 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.269 433 G C 0.598 175.373 174.900 -0.209 0.000 0.977 433 G CA 0.235 45.319 45.100 -0.027 0.000 0.634 433 G HN 0.247 nan 8.290 nan 0.000 0.539 434 L N 1.596 122.585 121.223 -0.389 0.000 3.240 434 L HA 0.067 4.407 4.340 -0.000 0.000 0.241 434 L C 2.373 178.370 176.870 -1.455 0.000 1.473 434 L CA 0.329 54.675 54.840 -0.824 0.000 1.114 434 L CB -0.255 41.225 42.059 -0.965 0.000 1.479 434 L HN 0.340 nan 8.230 nan 0.000 0.451 435 R N -0.133 119.864 120.500 -0.839 0.000 2.285 435 R HA -0.091 4.249 4.340 -0.000 0.000 0.213 435 R C 1.063 177.098 176.300 -0.443 0.000 1.068 435 R CA 1.229 56.939 56.100 -0.651 0.000 1.004 435 R CB 0.187 30.356 30.300 -0.217 0.000 0.873 435 R HN 0.391 nan 8.270 nan 0.000 0.467 436 S N 0.525 115.970 115.700 -0.426 0.000 2.523 436 S HA 0.121 4.591 4.470 -0.000 0.000 0.217 436 S C 0.143 174.601 174.600 -0.237 0.000 0.996 436 S CA -0.613 57.445 58.200 -0.236 0.000 0.921 436 S CB 0.186 63.295 63.200 -0.150 0.000 0.829 436 S HN 0.158 nan 8.310 nan 0.000 0.495 437 L N 3.068 124.036 121.223 -0.426 0.000 2.597 437 L HA 0.204 4.544 4.340 -0.000 0.000 0.271 437 L C 0.946 177.779 176.870 -0.063 0.000 1.157 437 L CA 0.667 55.337 54.840 -0.284 0.000 0.928 437 L CB 0.047 41.822 42.059 -0.474 0.000 1.216 437 L HN -0.016 nan 8.230 nan 0.000 0.481 438 R N 2.145 122.624 120.500 -0.036 0.000 2.419 438 R HA 0.271 4.611 4.340 -0.000 0.000 0.235 438 R C -0.384 175.916 176.300 0.000 0.000 0.899 438 R CA 0.097 56.196 56.100 -0.003 0.000 1.048 438 R CB 0.552 30.848 30.300 -0.007 0.000 1.182 438 R HN 0.756 nan 8.270 nan 0.000 0.544 439 E N 0.334 120.542 120.200 0.014 0.000 2.291 439 E HA 0.233 4.583 4.350 -0.000 0.000 0.276 439 E C -1.588 175.060 176.600 0.080 0.000 0.896 439 E CA -0.479 55.950 56.400 0.049 0.000 0.774 439 E CB 1.231 30.972 29.700 0.068 0.000 1.227 439 E HN 0.003 nan 8.360 nan 0.000 0.413 440 L N 4.810 126.111 121.223 0.131 0.000 2.277 440 L HA 0.435 4.775 4.340 -0.000 0.000 0.284 440 L C 1.332 178.327 176.870 0.209 0.000 1.028 440 L CA -0.433 54.519 54.840 0.187 0.000 0.835 440 L CB 1.475 43.709 42.059 0.292 0.000 1.215 440 L HN 0.933 nan 8.230 nan 0.000 0.425 441 G N 2.026 110.930 108.800 0.174 0.000 2.432 441 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.219 441 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.219 441 G C 0.553 175.584 174.900 0.219 0.000 1.135 441 G CA 0.967 46.200 45.100 0.222 0.000 0.767 441 G HN 0.625 nan 8.290 nan 0.000 0.550 442 S N -3.229 112.566 115.700 0.158 0.000 2.655 442 S HA 0.623 5.093 4.470 -0.000 0.000 0.266 442 S C -0.109 174.539 174.600 0.078 0.000 1.149 442 S CA 0.314 58.585 58.200 0.118 0.000 0.818 442 S CB 1.222 64.486 63.200 0.107 0.000 1.130 442 S HN 1.986 nan 8.310 nan 0.000 0.476 443 G N -0.297 108.508 108.800 0.008 0.000 2.829 443 G HA2 0.016 3.976 3.960 -0.000 0.000 0.628 443 G HA3 0.016 3.976 3.960 -0.000 0.000 0.628 443 G C -0.968 173.888 174.900 -0.074 0.000 1.412 443 G CA -0.391 44.677 45.100 -0.053 0.000 0.864 443 G HN 1.151 nan 8.290 nan 0.000 0.544 444 L N 0.160 121.307 121.223 -0.127 0.000 2.387 444 L HA 0.760 5.100 4.340 -0.000 0.000 0.266 444 L C 1.002 177.937 176.870 0.109 0.000 1.059 444 L CA -0.546 54.234 54.840 -0.100 0.000 0.801 444 L CB 1.630 43.578 42.059 -0.185 0.000 1.223 444 L HN 1.189 nan 8.230 nan 0.000 0.456 445 A N 1.969 124.838 122.820 0.081 0.000 2.317 445 A HA 0.747 5.067 4.320 -0.000 0.000 0.327 445 A C -1.157 176.403 177.584 -0.041 0.000 1.178 445 A CA -0.392 51.666 52.037 0.034 0.000 0.817 445 A CB 1.389 20.325 19.000 -0.107 0.000 1.189 445 A HN 0.512 nan 8.150 nan 0.000 0.489 446 L N 2.918 124.085 121.223 -0.093 0.000 2.406 446 L HA 0.757 5.096 4.340 -0.000 0.000 0.272 446 L C -1.447 175.317 176.870 -0.177 0.000 0.980 446 L CA -0.103 54.608 54.840 -0.215 0.000 0.831 446 L CB 1.180 42.930 42.059 -0.516 0.000 1.253 446 L HN 0.578 nan 8.230 nan 0.000 0.406 447 I N 5.871 126.379 120.570 -0.104 0.000 2.503 447 I HA 0.462 4.632 4.170 -0.000 0.000 0.282 447 I C -1.076 175.114 176.117 0.122 0.000 1.059 447 I CA -0.396 60.899 61.300 -0.008 0.000 1.081 447 I CB 1.237 39.200 38.000 -0.063 0.000 1.210 447 I HN 0.860 nan 8.210 nan 0.000 0.450 448 H N 3.946 122.964 119.070 -0.086 0.000 3.037 448 H HA 0.600 5.156 4.556 -0.000 0.000 0.355 448 H C -0.383 174.904 175.328 -0.069 0.000 1.263 448 H CA -1.113 54.899 56.048 -0.061 0.000 1.129 448 H CB 1.286 31.006 29.762 -0.071 0.000 1.861 448 H HN 0.400 nan 8.280 nan 0.000 0.546 449 R N 0.255 120.628 120.500 -0.212 0.000 3.758 449 R HA -0.165 4.175 4.340 -0.000 0.000 0.299 449 R C -0.983 175.195 176.300 -0.204 0.000 1.182 449 R CA 0.719 56.666 56.100 -0.254 0.000 0.809 449 R CB -2.030 28.040 30.300 -0.383 0.000 1.249 449 R HN 0.702 nan 8.270 nan 0.000 0.497 450 N N 0.586 119.199 118.700 -0.146 0.000 2.678 450 N HA 0.268 5.008 4.740 -0.000 0.000 0.231 450 N C 0.906 176.310 175.510 -0.176 0.000 1.038 450 N CA 0.533 53.501 53.050 -0.137 0.000 0.932 450 N CB 1.566 40.007 38.487 -0.077 0.000 1.176 450 N HN 0.283 nan 8.380 nan 0.000 0.511 451 A N 1.193 123.828 122.820 -0.308 0.000 2.019 451 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 451 A C 0.939 178.276 177.584 -0.413 0.000 1.164 451 A CA 1.264 53.064 52.037 -0.396 0.000 0.644 451 A CB -0.402 18.286 19.000 -0.520 0.000 0.805 451 A HN 0.675 nan 8.150 nan 0.000 0.449 452 H N -2.385 116.595 119.070 -0.150 0.000 2.594 452 H HA 0.361 4.917 4.556 -0.000 0.000 0.279 452 H C -0.258 174.953 175.328 -0.195 0.000 1.042 452 H CA -0.616 55.279 56.048 -0.254 0.000 1.177 452 H CB 0.343 29.756 29.762 -0.581 0.000 1.524 452 H HN 0.331 nan 8.280 nan 0.000 0.537 453 L N 1.781 122.991 121.223 -0.022 0.000 2.325 453 L HA 0.209 4.549 4.340 -0.000 0.000 0.284 453 L C -0.363 176.546 176.870 0.065 0.000 1.089 453 L CA -0.111 54.758 54.840 0.049 0.000 0.836 453 L CB -0.389 41.692 42.059 0.037 0.000 1.184 453 L HN 0.267 nan 8.230 nan 0.000 0.444 454 C N 3.291 122.659 119.300 0.113 0.000 2.604 454 C HA 0.484 4.944 4.460 -0.000 0.000 0.416 454 C C 0.421 175.485 174.990 0.123 0.000 1.566 454 C CA -0.620 58.384 59.018 -0.025 0.000 1.812 454 C CB 0.568 28.153 27.740 -0.257 0.000 2.028 454 C HN 0.869 nan 8.230 nan 0.000 0.489 455 F N -0.595 119.396 119.950 0.068 0.000 3.090 455 F HA -0.187 4.340 4.527 -0.000 0.000 0.282 455 F C 0.983 176.795 175.800 0.020 0.000 0.923 455 F CA 0.319 58.341 58.000 0.037 0.000 0.977 455 F CB -1.853 37.175 39.000 0.048 0.000 0.954 455 F HN 0.329 nan 8.300 nan 0.000 0.695 456 V N -1.203 118.785 119.914 0.124 0.000 2.575 456 V HA -0.127 3.993 4.120 -0.000 0.000 0.242 456 V C 2.079 178.148 176.094 -0.041 0.000 1.045 456 V CA 1.769 64.116 62.300 0.078 0.000 1.065 456 V CB -0.273 31.545 31.823 -0.009 0.000 0.717 456 V HN 0.504 nan 8.190 nan 0.000 0.467 457 H N 0.308 119.391 119.070 0.022 0.000 2.539 457 H HA 0.048 4.604 4.556 -0.000 0.000 0.267 457 H C 2.164 177.472 175.328 -0.034 0.000 0.982 457 H CA 1.287 57.338 56.048 0.006 0.000 1.146 457 H CB 0.202 29.933 29.762 -0.052 0.000 1.382 457 H HN 0.574 nan 8.280 nan 0.000 0.577 458 T N -1.576 112.975 114.554 -0.004 0.000 3.088 458 T HA 0.066 4.416 4.350 -0.000 0.000 0.259 458 T C 0.995 175.539 174.700 -0.260 0.000 1.122 458 T CA -0.045 62.040 62.100 -0.025 0.000 1.095 458 T CB -0.299 68.614 68.868 0.075 0.000 0.930 458 T HN -0.145 nan 8.240 nan 0.000 0.508 459 V N 4.534 124.102 119.914 -0.576 0.000 2.530 459 V HA 0.320 4.440 4.120 -0.000 0.000 0.282 459 V C -2.109 173.334 176.094 -1.084 0.000 1.048 459 V CA -2.014 59.560 62.300 -1.210 0.000 0.997 459 V CB 1.011 31.668 31.823 -1.944 0.000 0.987 459 V HN 0.263 nan 8.190 nan 0.000 0.477 460 P HA 0.154 nan 4.420 nan 0.000 0.241 460 P C 0.082 176.983 177.300 -0.665 0.000 1.780 460 P CA -0.329 62.258 63.100 -0.856 0.000 1.111 460 P CB 0.106 31.189 31.700 -1.029 0.000 1.852 461 W N 2.022 123.045 121.300 -0.462 0.000 2.374 461 W HA -0.168 4.492 4.660 -0.000 0.000 0.288 461 W C 1.985 178.059 176.519 -0.741 0.000 1.218 461 W CA 1.316 58.295 57.345 -0.610 0.000 1.245 461 W CB -0.673 28.494 29.460 -0.487 0.000 1.126 461 W HN 0.288 nan 8.180 nan 0.000 0.545 462 D N 0.245 120.572 120.400 -0.122 0.000 2.228 462 D HA -0.244 4.396 4.640 -0.000 0.000 0.203 462 D C 1.494 177.748 176.300 -0.077 0.000 0.988 462 D CA 1.463 55.475 54.000 0.019 0.000 0.864 462 D CB -0.948 39.892 40.800 0.067 0.000 0.928 462 D HN 0.368 nan 8.370 nan 0.000 0.469 463 Q N -0.224 119.461 119.800 -0.191 0.000 2.269 463 Q HA 0.119 4.459 4.340 -0.000 0.000 0.201 463 Q C 2.476 178.386 176.000 -0.149 0.000 0.946 463 Q CA 0.377 56.087 55.803 -0.155 0.000 0.877 463 Q CB 0.137 28.765 28.738 -0.184 0.000 0.963 463 Q HN 0.408 nan 8.270 nan 0.000 0.472 464 L N -1.075 120.001 121.223 -0.246 0.000 2.270 464 L HA 0.144 4.484 4.340 -0.000 0.000 0.210 464 L C 0.816 177.655 176.870 -0.053 0.000 1.104 464 L CA 0.001 54.743 54.840 -0.162 0.000 0.804 464 L CB -0.431 41.541 42.059 -0.146 0.000 0.937 464 L HN 0.010 nan 8.230 nan 0.000 0.450 465 F N 0.685 120.671 119.950 0.059 0.000 2.535 465 F HA 0.115 4.642 4.527 -0.000 0.000 0.332 465 F C 1.524 177.304 175.800 -0.034 0.000 1.208 465 F CA -0.444 57.572 58.000 0.026 0.000 1.330 465 F CB 0.407 39.417 39.000 0.017 0.000 1.167 465 F HN -0.091 nan 8.300 nan 0.000 0.597 466 R N 0.434 121.032 120.500 0.164 0.000 2.582 466 R HA 0.125 4.465 4.340 -0.000 0.000 0.285 466 R C -0.798 175.450 176.300 -0.086 0.000 0.940 466 R CA 0.005 56.065 56.100 -0.068 0.000 1.072 466 R CB -0.152 30.023 30.300 -0.207 0.000 1.527 466 R HN 0.758 nan 8.270 nan 0.000 0.538 467 N N 0.010 118.703 118.700 -0.012 0.000 2.455 467 N HA 0.340 5.080 4.740 -0.000 0.000 0.278 467 N C -2.578 172.882 175.510 -0.084 0.000 1.291 467 N CA -1.453 51.575 53.050 -0.036 0.000 0.780 467 N CB 2.838 41.341 38.487 0.026 0.000 1.520 467 N HN -0.356 nan 8.380 nan 0.000 0.486 468 P HA 0.116 nan 4.420 nan 0.000 0.253 468 P C 0.374 177.525 177.300 -0.247 0.000 1.260 468 P CA 0.570 63.555 63.100 -0.191 0.000 0.800 468 P CB -0.108 31.464 31.700 -0.213 0.000 1.162 469 H N -0.666 118.336 119.070 -0.112 0.000 2.562 469 H HA 0.197 4.753 4.556 -0.000 0.000 0.267 469 H C 0.707 175.875 175.328 -0.266 0.000 0.959 469 H CA 0.392 56.357 56.048 -0.139 0.000 1.204 469 H CB 0.241 29.925 29.762 -0.130 0.000 1.430 469 H HN 0.350 nan 8.280 nan 0.000 0.545 470 Q N 0.265 119.885 119.800 -0.300 0.000 2.299 470 Q HA 0.595 4.935 4.340 -0.000 0.000 0.246 470 Q C -0.457 174.892 176.000 -1.085 0.000 0.935 470 Q CA -0.402 55.001 55.803 -0.668 0.000 0.887 470 Q CB 2.046 30.323 28.738 -0.769 0.000 1.223 470 Q HN 0.235 nan 8.270 nan 0.000 0.439 471 A N 1.397 123.536 122.820 -1.136 0.000 2.599 471 A HA 0.614 4.934 4.320 -0.000 0.000 0.290 471 A C -2.045 175.284 177.584 -0.424 0.000 1.101 471 A CA -0.731 50.760 52.037 -0.911 0.000 0.674 471 A CB 1.146 19.401 19.000 -1.241 0.000 1.277 471 A HN 0.569 nan 8.150 nan 0.000 0.419 472 L N 0.808 121.943 121.223 -0.147 0.000 2.282 472 L HA 0.775 5.115 4.340 -0.000 0.000 0.288 472 L C -1.343 175.437 176.870 -0.150 0.000 1.033 472 L CA -0.212 54.501 54.840 -0.211 0.000 0.807 472 L CB 0.768 42.479 42.059 -0.581 0.000 1.209 472 L HN 0.560 nan 8.230 nan 0.000 0.423 473 L N 5.697 126.834 121.223 -0.142 0.000 2.317 473 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 473 L C -0.964 175.848 176.870 -0.095 0.000 1.024 473 L CA -0.731 54.027 54.840 -0.136 0.000 0.810 473 L CB 1.389 43.385 42.059 -0.104 0.000 1.240 473 L HN 0.832 nan 8.230 nan 0.000 0.427 474 H N 0.405 119.431 119.070 -0.074 0.000 3.046 474 H HA 0.825 5.381 4.556 -0.000 0.000 0.363 474 H C -1.086 174.258 175.328 0.026 0.000 1.203 474 H CA -0.970 55.060 56.048 -0.032 0.000 1.169 474 H CB 1.920 31.665 29.762 -0.028 0.000 1.851 474 H HN 0.503 nan 8.280 nan 0.000 0.546 475 S N 1.410 117.208 115.700 0.162 0.000 2.580 475 S HA 0.464 4.934 4.470 -0.000 0.000 0.281 475 S C 0.580 175.244 174.600 0.107 0.000 1.129 475 S CA 0.175 58.440 58.200 0.108 0.000 0.862 475 S CB 0.657 63.883 63.200 0.044 0.000 1.090 475 S HN 2.162 nan 8.310 nan 0.000 0.451 476 G N 2.897 111.735 108.800 0.062 0.000 2.168 476 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 476 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 476 G C 0.042 174.936 174.900 -0.011 0.000 0.997 476 G CA 0.577 45.683 45.100 0.010 0.000 0.708 476 G HN 0.870 nan 8.290 nan 0.000 0.520 477 N N -0.481 118.238 118.700 0.031 0.000 2.495 477 N HA 0.365 5.105 4.740 -0.000 0.000 0.294 477 N C 0.495 176.003 175.510 -0.003 0.000 1.276 477 N CA -0.654 52.400 53.050 0.006 0.000 0.973 477 N CB 0.373 38.885 38.487 0.042 0.000 1.143 477 N HN 0.217 nan 8.380 nan 0.000 0.589 478 R N 0.981 121.475 120.500 -0.010 0.000 2.401 478 R HA 0.200 4.540 4.340 -0.000 0.000 0.299 478 R C -2.035 174.259 176.300 -0.010 0.000 1.064 478 R CA -1.166 54.926 56.100 -0.013 0.000 1.000 478 R CB 0.062 30.357 30.300 -0.010 0.000 0.973 478 R HN 0.342 nan 8.270 nan 0.000 0.438 479 P HA -0.088 nan 4.420 nan 0.000 0.264 479 P C 0.097 177.364 177.300 -0.054 0.000 1.183 479 P CA 0.272 63.354 63.100 -0.030 0.000 0.763 479 P CB 0.707 32.392 31.700 -0.025 0.000 0.807 480 E N 3.444 123.591 120.200 -0.088 0.000 2.153 480 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 480 E C 1.487 178.033 176.600 -0.089 0.000 0.988 480 E CA 1.779 58.118 56.400 -0.103 0.000 0.811 480 E CB -0.277 29.331 29.700 -0.153 0.000 0.746 480 E HN 0.648 nan 8.360 nan 0.000 0.466 481 E N -0.675 119.481 120.200 -0.073 0.000 2.482 481 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 481 E C 0.712 177.286 176.600 -0.044 0.000 1.047 481 E CA 1.123 57.491 56.400 -0.055 0.000 0.869 481 E CB 0.087 29.760 29.700 -0.044 0.000 0.836 481 E HN 0.220 nan 8.360 nan 0.000 0.520 482 D N -0.023 120.350 120.400 -0.044 0.000 2.301 482 D HA 0.022 4.662 4.640 -0.000 0.000 0.206 482 D C 1.390 177.666 176.300 -0.039 0.000 0.979 482 D CA 0.449 54.430 54.000 -0.031 0.000 0.874 482 D CB -0.201 40.587 40.800 -0.020 0.000 0.968 482 D HN 0.277 nan 8.370 nan 0.000 0.510 483 C N 0.607 119.865 119.300 -0.070 0.000 2.476 483 C HA 0.073 4.533 4.460 -0.000 0.000 0.278 483 C C 2.642 177.569 174.990 -0.106 0.000 1.274 483 C CA 0.897 59.847 59.018 -0.114 0.000 1.713 483 C CB -1.144 26.468 27.740 -0.213 0.000 2.039 483 C HN 0.426 nan 8.230 nan 0.000 0.484 484 G N -0.307 108.437 108.800 -0.094 0.000 2.708 484 G HA2 0.064 4.024 3.960 -0.000 0.000 0.210 484 G HA3 0.064 4.024 3.960 -0.000 0.000 0.210 484 G C 1.093 175.969 174.900 -0.039 0.000 1.141 484 G CA 0.356 45.415 45.100 -0.069 0.000 0.788 484 G HN 0.571 nan 8.290 nan 0.000 0.531 485 L N -1.044 120.160 121.223 -0.032 0.000 2.959 485 L HA 0.375 4.715 4.340 -0.000 0.000 0.259 485 L C 1.522 178.387 176.870 -0.008 0.000 1.185 485 L CA 0.166 54.996 54.840 -0.017 0.000 0.998 485 L CB 0.832 42.883 42.059 -0.014 0.000 1.337 485 L HN 0.126 nan 8.230 nan 0.000 0.555 486 E N -0.390 119.805 120.200 -0.009 0.000 2.660 486 E HA 0.195 4.544 4.350 -0.000 0.000 0.216 486 E C 1.217 177.828 176.600 0.018 0.000 0.986 486 E CA 0.438 56.842 56.400 0.007 0.000 1.037 486 E CB 0.691 30.398 29.700 0.012 0.000 1.041 486 E HN 0.283 nan 8.360 nan 0.000 0.480 487 G N 1.367 110.174 108.800 0.012 0.000 2.162 487 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 487 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 487 G C 0.237 175.176 174.900 0.066 0.000 0.976 487 G CA 0.322 45.441 45.100 0.033 0.000 0.655 487 G HN 0.241 nan 8.290 nan 0.000 0.533 488 L N 1.297 122.537 121.223 0.028 0.000 2.395 488 L HA 0.525 4.865 4.340 -0.000 0.000 0.268 488 L C 0.678 177.454 176.870 -0.157 0.000 1.223 488 L CA -0.657 54.196 54.840 0.021 0.000 1.093 488 L CB 0.249 42.252 42.059 -0.093 0.000 1.349 488 L HN 0.237 nan 8.230 nan 0.000 0.427 489 V N -1.918 118.057 119.914 0.102 0.000 3.040 489 V HA 0.473 4.593 4.120 -0.000 0.000 0.312 489 V C 0.320 176.596 176.094 0.303 0.000 1.115 489 V CA -1.283 61.084 62.300 0.112 0.000 0.998 489 V CB 1.523 33.375 31.823 0.049 0.000 1.042 489 V HN 0.420 nan 8.190 nan 0.000 0.433 490 c N 2.786 121.531 118.600 0.241 0.000 2.538 490 c HA 0.114 4.684 4.570 -0.000 0.000 0.408 490 c C 1.174 175.325 174.090 0.101 0.000 1.421 490 c CA 0.334 56.769 56.329 0.177 0.000 1.642 490 c CB -1.472 41.100 42.510 0.104 0.000 2.553 490 c HN 1.094 nan 8.230 nan 0.000 0.604 491 N N 1.658 120.401 118.700 0.070 0.000 2.345 491 N HA -0.044 4.696 4.740 -0.000 0.000 0.243 491 N C 1.246 176.766 175.510 0.016 0.000 1.246 491 N CA 0.885 53.954 53.050 0.032 0.000 0.863 491 N CB 0.696 39.190 38.487 0.012 0.000 1.096 491 N HN 0.777 nan 8.380 nan 0.000 0.446 492 S N 2.775 118.475 115.700 -0.000 0.000 2.561 492 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 492 S C 1.407 175.997 174.600 -0.016 0.000 0.977 492 S CA 0.282 58.475 58.200 -0.010 0.000 0.926 492 S CB -0.303 62.887 63.200 -0.016 0.000 0.769 492 S HN 0.600 nan 8.310 nan 0.000 0.533 493 L N 0.917 122.127 121.223 -0.023 0.000 2.509 493 L HA 0.230 4.569 4.340 -0.000 0.000 0.222 493 L C 0.577 177.478 176.870 0.052 0.000 1.123 493 L CA -0.408 54.427 54.840 -0.009 0.000 0.856 493 L CB -0.449 41.571 42.059 -0.066 0.000 0.985 493 L HN 0.335 nan 8.230 nan 0.000 0.456 494 c N 2.103 120.718 118.600 0.025 0.000 2.629 494 c HA 0.415 4.985 4.570 -0.000 0.000 0.410 494 c C 1.315 175.407 174.090 0.003 0.000 1.339 494 c CA -1.432 54.914 56.329 0.027 0.000 1.810 494 c CB -0.275 42.250 42.510 0.026 0.000 2.549 494 c HN 0.437 nan 8.230 nan 0.000 0.589 495 A N 4.231 127.061 122.820 0.016 0.000 2.520 495 A HA 0.225 4.545 4.320 -0.000 0.000 0.245 495 A C 0.966 178.536 177.584 -0.023 0.000 1.072 495 A CA 0.368 52.399 52.037 -0.010 0.000 0.761 495 A CB -0.204 18.859 19.000 0.104 0.000 1.004 495 A HN 1.153 nan 8.150 nan 0.000 0.499 496 H N 1.003 119.955 119.070 -0.197 0.000 3.047 496 H HA -0.234 4.322 4.556 -0.000 0.000 0.263 496 H C 1.379 176.398 175.328 -0.517 0.000 1.168 496 H CA 1.356 57.187 56.048 -0.362 0.000 1.152 496 H CB -1.590 27.887 29.762 -0.475 0.000 1.278 496 H HN 2.165 nan 8.280 nan 0.000 0.339 497 G N 0.541 109.213 108.800 -0.213 0.000 2.179 497 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 497 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 497 G C -0.184 174.670 174.900 -0.077 0.000 1.010 497 G CA 0.763 45.785 45.100 -0.130 0.000 0.736 497 G HN 0.673 nan 8.290 nan 0.000 0.513 498 H N -0.024 119.036 119.070 -0.017 0.000 2.594 498 H HA 0.627 5.183 4.556 -0.000 0.000 0.304 498 H C 0.847 176.096 175.328 -0.131 0.000 1.068 498 H CA -0.334 55.644 56.048 -0.117 0.000 1.308 498 H CB 0.602 30.270 29.762 -0.157 0.000 1.409 498 H HN 0.815 nan 8.280 nan 0.000 0.460 499 c N 0.928 119.488 118.600 -0.067 0.000 3.332 499 c HA 0.460 5.030 4.570 -0.000 0.000 0.329 499 c C -0.021 173.930 174.090 -0.232 0.000 1.434 499 c CA -0.991 55.291 56.329 -0.077 0.000 1.314 499 c CB 0.911 43.437 42.510 0.027 0.000 1.664 499 c HN 0.880 nan 8.230 nan 0.000 0.457 500 W N 0.857 122.099 121.300 -0.096 0.000 3.008 500 W HA 0.567 5.227 4.660 -0.000 0.000 0.355 500 W C 1.019 177.419 176.519 -0.198 0.000 1.095 500 W CA 0.726 58.001 57.345 -0.117 0.000 1.738 500 W CB 0.910 30.289 29.460 -0.135 0.000 1.091 500 W HN 1.354 nan 8.180 nan 0.000 0.574 501 G N -0.190 108.422 108.800 -0.313 0.000 2.322 501 G HA2 0.282 4.242 3.960 -0.000 0.000 0.295 501 G HA3 0.282 4.242 3.960 -0.000 0.000 0.295 501 G C -3.154 170.985 174.900 -1.269 0.000 1.369 501 G CA -1.086 43.428 45.100 -0.977 0.000 0.821 501 G HN -0.422 nan 8.290 nan 0.000 0.536 502 P HA 0.518 nan 4.420 nan 0.000 0.274 502 P C 0.678 177.862 177.300 -0.194 0.000 1.237 502 P CA 1.289 64.122 63.100 -0.444 0.000 0.793 502 P CB 1.318 32.944 31.700 -0.123 0.000 0.977 503 G N 2.285 111.045 108.800 -0.066 0.000 2.757 503 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.638 503 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.638 503 G C -2.192 172.687 174.900 -0.035 0.000 1.344 503 G CA -0.233 44.843 45.100 -0.041 0.000 0.855 503 G HN 0.437 nan 8.290 nan 0.000 0.537 504 P HA 0.054 nan 4.420 nan 0.000 0.249 504 P C 1.489 178.783 177.300 -0.010 0.000 1.229 504 P CA 1.777 64.869 63.100 -0.013 0.000 0.788 504 P CB -0.025 31.668 31.700 -0.012 0.000 1.072 505 T N -4.558 109.983 114.554 -0.021 0.000 3.081 505 T HA 0.073 4.423 4.350 -0.000 0.000 0.250 505 T C 1.366 176.062 174.700 -0.006 0.000 1.100 505 T CA 0.376 62.467 62.100 -0.016 0.000 1.038 505 T CB -0.381 68.472 68.868 -0.026 0.000 0.962 505 T HN -0.017 nan 8.240 nan 0.000 0.516 506 Q N 0.358 120.155 119.800 -0.005 0.000 2.198 506 Q HA 0.270 4.610 4.340 -0.000 0.000 0.209 506 Q C 0.165 176.225 176.000 0.099 0.000 0.848 506 Q CA -0.200 55.620 55.803 0.030 0.000 0.974 506 Q CB -0.035 28.678 28.738 -0.041 0.000 1.115 506 Q HN 0.551 nan 8.270 nan 0.000 0.494 507 c N 0.554 119.198 118.600 0.073 0.000 2.662 507 c HA 0.071 4.641 4.570 -0.000 0.000 0.420 507 c C 2.436 176.610 174.090 0.140 0.000 1.314 507 c CA -0.444 55.935 56.329 0.085 0.000 1.963 507 c CB 0.348 42.892 42.510 0.056 0.000 2.686 507 c HN 0.230 nan 8.230 nan 0.000 0.609 508 V N 2.814 122.809 119.914 0.135 0.000 2.307 508 V HA -0.069 4.051 4.120 -0.000 0.000 0.245 508 V C 0.981 177.132 176.094 0.095 0.000 1.045 508 V CA 1.779 64.169 62.300 0.151 0.000 1.024 508 V CB -0.329 31.545 31.823 0.085 0.000 0.651 508 V HN 0.811 nan 8.190 nan 0.000 0.449 509 N N -2.009 116.738 118.700 0.078 0.000 2.225 509 N HA 0.298 5.038 4.740 -0.000 0.000 0.298 509 N C -1.371 174.166 175.510 0.046 0.000 1.076 509 N CA -0.379 52.703 53.050 0.053 0.000 0.792 509 N CB 2.132 40.648 38.487 0.048 0.000 1.498 509 N HN 0.147 nan 8.380 nan 0.000 0.474 510 c N 0.927 119.544 118.600 0.028 0.000 2.527 510 c HA 0.170 4.740 4.570 -0.000 0.000 0.396 510 c C 1.903 175.994 174.090 0.001 0.000 1.289 510 c CA 0.035 56.382 56.329 0.030 0.000 2.047 510 c CB -0.285 42.237 42.510 0.019 0.000 2.568 510 c HN 0.721 nan 8.230 nan 0.000 0.573 511 S N 1.533 117.259 115.700 0.044 0.000 2.558 511 S HA 0.062 4.532 4.470 -0.000 0.000 0.217 511 S C 0.310 174.711 174.600 -0.331 0.000 0.975 511 S CA 0.663 58.820 58.200 -0.072 0.000 0.912 511 S CB -0.135 63.067 63.200 0.004 0.000 0.776 511 S HN 0.882 nan 8.310 nan 0.000 0.526 512 H N -1.349 117.613 119.070 -0.179 0.000 4.337 512 H HA 0.521 5.077 4.556 -0.000 0.000 0.419 512 H C -0.921 174.121 175.328 -0.476 0.000 1.241 512 H CA -0.788 55.074 56.048 -0.311 0.000 0.804 512 H CB 0.171 29.899 29.762 -0.057 0.000 0.983 512 H HN 0.056 nan 8.280 nan 0.000 0.755 513 F N 0.585 120.626 119.950 0.151 0.000 2.432 513 F HA 0.459 4.986 4.527 -0.000 0.000 0.329 513 F C -0.388 175.429 175.800 0.028 0.000 1.076 513 F CA -0.671 57.361 58.000 0.054 0.000 1.018 513 F CB 0.900 39.917 39.000 0.028 0.000 1.201 513 F HN -0.033 nan 8.300 nan 0.000 0.489 514 L N 2.403 123.728 121.223 0.171 0.000 2.307 514 L HA 0.544 4.884 4.340 -0.000 0.000 0.284 514 L C -0.228 176.678 176.870 0.060 0.000 1.023 514 L CA -0.769 54.123 54.840 0.086 0.000 0.810 514 L CB 1.869 43.953 42.059 0.041 0.000 1.231 514 L HN 0.578 nan 8.230 nan 0.000 0.423 515 R N 2.442 122.960 120.500 0.030 0.000 2.272 515 R HA 0.519 4.859 4.340 -0.000 0.000 0.323 515 R C 0.608 176.900 176.300 -0.014 0.000 1.002 515 R CA 0.575 56.671 56.100 -0.007 0.000 0.900 515 R CB 0.844 31.134 30.300 -0.016 0.000 1.151 515 R HN 0.859 nan 8.270 nan 0.000 0.507 516 G N 3.333 112.120 108.800 -0.022 0.000 2.574 516 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.301 516 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.301 516 G C 0.190 175.083 174.900 -0.012 0.000 1.166 516 G CA 0.525 45.612 45.100 -0.021 0.000 0.971 516 G HN 0.577 nan 8.290 nan 0.000 0.542 517 Q N 1.130 120.923 119.800 -0.012 0.000 2.172 517 Q HA 0.448 4.788 4.340 -0.000 0.000 0.217 517 Q C 0.416 176.413 176.000 -0.005 0.000 0.832 517 Q CA 0.380 56.178 55.803 -0.009 0.000 1.010 517 Q CB 0.996 29.725 28.738 -0.016 0.000 1.133 517 Q HN 0.621 nan 8.270 nan 0.000 0.489 518 E N 0.076 120.275 120.200 -0.002 0.000 2.175 518 E HA 0.233 4.583 4.350 -0.000 0.000 0.278 518 E C -1.028 175.583 176.600 0.018 0.000 0.969 518 E CA -0.589 55.812 56.400 0.002 0.000 0.796 518 E CB 1.166 30.863 29.700 -0.005 0.000 1.104 518 E HN 0.184 nan 8.360 nan 0.000 0.395 519 c N 5.779 124.392 118.600 0.020 0.000 2.482 519 c HA 0.464 5.034 4.570 -0.000 0.000 0.378 519 c C -0.064 174.045 174.090 0.031 0.000 1.284 519 c CA -0.355 55.996 56.329 0.037 0.000 1.826 519 c CB -1.207 41.321 42.510 0.031 0.000 2.473 519 c HN 0.473 nan 8.230 nan 0.000 0.562 520 V N 3.434 123.390 119.914 0.070 0.000 2.962 520 V HA 0.550 4.670 4.120 -0.000 0.000 0.313 520 V C 0.511 176.662 176.094 0.095 0.000 1.099 520 V CA -0.536 61.796 62.300 0.053 0.000 0.971 520 V CB 1.775 33.628 31.823 0.050 0.000 1.028 520 V HN 0.851 nan 8.190 nan 0.000 0.430 521 E N 1.335 121.537 120.200 0.004 0.000 2.106 521 E HA 0.014 4.364 4.350 -0.000 0.000 0.192 521 E C 0.597 177.334 176.600 0.229 0.000 0.984 521 E CA 1.442 57.834 56.400 -0.013 0.000 0.806 521 E CB 0.312 29.963 29.700 -0.082 0.000 0.750 521 E HN 0.844 nan 8.360 nan 0.000 0.458 522 E N -1.089 119.186 120.200 0.124 0.000 2.356 522 E HA 0.267 4.617 4.350 -0.000 0.000 0.275 522 E C -1.503 175.012 176.600 -0.142 0.000 0.904 522 E CA -0.895 55.502 56.400 -0.006 0.000 0.757 522 E CB 1.731 31.439 29.700 0.013 0.000 1.232 522 E HN 0.095 nan 8.360 nan 0.000 0.442 523 c N 1.323 119.687 118.600 -0.394 0.000 2.520 523 c HA 0.278 4.848 4.570 -0.000 0.000 0.376 523 c C 0.800 174.747 174.090 -0.238 0.000 1.268 523 c CA -0.309 55.825 56.329 -0.325 0.000 2.414 523 c CB -0.206 42.024 42.510 -0.467 0.000 2.521 523 c HN 0.681 nan 8.230 nan 0.000 0.618 524 R N 1.628 122.016 120.500 -0.186 0.000 4.556 524 R HA 0.155 4.495 4.340 -0.000 0.000 0.197 524 R C 0.732 176.896 176.300 -0.226 0.000 1.791 524 R CA -0.185 55.827 56.100 -0.147 0.000 1.526 524 R CB -0.192 30.052 30.300 -0.094 0.000 1.410 524 R HN 0.619 nan 8.270 nan 0.000 0.826 525 V N -0.793 118.884 119.914 -0.396 0.000 2.535 525 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 525 V C 1.007 176.654 176.094 -0.746 0.000 1.045 525 V CA 1.372 63.247 62.300 -0.708 0.000 1.058 525 V CB -0.152 31.022 31.823 -1.082 0.000 0.689 525 V HN 0.686 nan 8.190 nan 0.000 0.461 526 W N -0.940 120.345 121.300 -0.026 0.000 2.866 526 W HA 0.384 5.044 4.660 -0.000 0.000 0.258 526 W C 0.998 177.508 176.519 -0.016 0.000 1.183 526 W CA -0.333 57.003 57.345 -0.015 0.000 1.451 526 W CB 0.634 30.085 29.460 -0.015 0.000 0.959 526 W HN -0.180 nan 8.180 nan 0.000 0.622 527 K N 0.880 121.381 120.400 0.168 0.000 2.427 527 K HA 0.577 4.897 4.320 -0.000 0.000 0.252 527 K C -0.694 175.926 176.600 0.032 0.000 0.931 527 K CA -0.398 55.950 56.287 0.102 0.000 0.793 527 K CB 1.746 34.313 32.500 0.111 0.000 1.211 527 K HN 0.021 nan 8.250 nan 0.000 0.426 528 G N 3.850 112.660 108.800 0.017 0.000 2.944 528 G HA2 0.027 3.986 3.960 -0.000 0.000 0.471 528 G HA3 0.027 3.986 3.960 -0.000 0.000 0.471 528 G C -0.107 174.785 174.900 -0.014 0.000 1.388 528 G CA -0.437 44.659 45.100 -0.006 0.000 1.087 528 G HN 0.715 nan 8.290 nan 0.000 0.596 529 L N -0.303 120.914 121.223 -0.011 0.000 4.529 529 L HA -0.221 4.119 4.340 -0.000 0.000 0.053 529 L C -0.720 176.137 176.870 -0.021 0.000 3.271 529 L CA 2.071 56.901 54.840 -0.016 0.000 1.529 529 L CB -1.992 40.055 42.059 -0.020 0.000 2.937 529 L HN 0.669 nan 8.230 nan 0.000 0.814 530 P HA 0.272 nan 4.420 nan 0.000 0.286 530 P C -0.848 176.428 177.300 -0.040 0.000 1.269 530 P CA -0.228 62.853 63.100 -0.033 0.000 0.787 530 P CB 0.992 32.670 31.700 -0.037 0.000 0.920 531 R N 2.000 122.477 120.500 -0.037 0.000 2.637 531 R HA 0.387 4.727 4.340 -0.000 0.000 0.269 531 R C 0.364 176.632 176.300 -0.052 0.000 1.089 531 R CA -0.115 55.954 56.100 -0.052 0.000 1.177 531 R CB 0.630 30.902 30.300 -0.047 0.000 1.091 531 R HN 0.575 nan 8.270 nan 0.000 0.540 532 E N 0.038 120.186 120.200 -0.087 0.000 2.393 532 E HA 0.318 4.667 4.350 -0.000 0.000 0.273 532 E C -1.352 175.212 176.600 -0.061 0.000 0.918 532 E CA -0.756 55.588 56.400 -0.094 0.000 0.773 532 E CB 2.290 31.891 29.700 -0.165 0.000 1.275 532 E HN 0.504 nan 8.360 nan 0.000 0.451 533 Y N -1.553 118.661 120.300 -0.144 0.000 2.598 533 Y HA 0.754 5.304 4.550 -0.000 0.000 0.340 533 Y C -0.943 174.892 175.900 -0.110 0.000 1.038 533 Y CA -1.190 56.827 58.100 -0.139 0.000 1.100 533 Y CB 0.687 39.095 38.460 -0.087 0.000 1.281 533 Y HN 0.161 nan 8.280 nan 0.000 0.488 534 V N 1.796 121.687 119.914 -0.038 0.000 2.617 534 V HA 0.622 4.742 4.120 -0.000 0.000 0.298 534 V C -0.376 175.754 176.094 0.061 0.000 1.048 534 V CA -0.502 61.762 62.300 -0.061 0.000 0.964 534 V CB 1.274 33.084 31.823 -0.021 0.000 1.004 534 V HN 0.807 nan 8.190 nan 0.000 0.466 535 S N 2.112 117.832 115.700 0.033 0.000 2.392 535 S HA 0.350 4.820 4.470 -0.000 0.000 0.246 535 S C -0.826 173.810 174.600 0.061 0.000 0.999 535 S CA -0.543 57.704 58.200 0.078 0.000 1.059 535 S CB -0.005 63.251 63.200 0.095 0.000 1.194 535 S HN 0.923 nan 8.310 nan 0.000 0.421 536 D N 3.327 123.774 120.400 0.077 0.000 2.739 536 D HA -0.084 4.556 4.640 -0.000 0.000 0.240 536 D C 0.005 176.334 176.300 0.048 0.000 1.114 536 D CA 1.210 55.240 54.000 0.050 0.000 0.695 536 D CB -0.382 40.438 40.800 0.033 0.000 1.078 536 D HN 0.634 nan 8.370 nan 0.000 0.434 537 K N -1.767 118.693 120.400 0.100 0.000 3.088 537 K HA -0.254 4.066 4.320 -0.000 0.000 0.273 537 K C -0.164 176.565 176.600 0.215 0.000 1.111 537 K CA 0.778 57.136 56.287 0.117 0.000 0.803 537 K CB -1.321 31.092 32.500 -0.145 0.000 1.226 537 K HN 0.530 nan 8.250 nan 0.000 0.485 538 R N -0.050 120.544 120.500 0.156 0.000 2.409 538 R HA 0.250 4.590 4.340 -0.000 0.000 0.313 538 R C -0.438 175.833 176.300 -0.048 0.000 0.953 538 R CA -0.511 55.619 56.100 0.050 0.000 0.849 538 R CB 1.189 31.480 30.300 -0.016 0.000 1.171 538 R HN 0.096 nan 8.270 nan 0.000 0.458 539 c N 5.673 124.243 118.600 -0.051 0.000 2.667 539 c HA 0.226 4.796 4.570 -0.000 0.000 0.392 539 c C 0.627 174.576 174.090 -0.234 0.000 1.332 539 c CA -0.237 55.995 56.329 -0.161 0.000 1.594 539 c CB -1.312 41.134 42.510 -0.107 0.000 2.345 539 c HN 0.510 nan 8.230 nan 0.000 0.594 540 L N 7.427 128.392 121.223 -0.430 0.000 2.341 540 L HA 0.464 4.804 4.340 -0.000 0.000 0.278 540 L C -2.037 174.627 176.870 -0.345 0.000 1.005 540 L CA -1.797 52.753 54.840 -0.484 0.000 0.818 540 L CB 2.046 43.611 42.059 -0.823 0.000 1.259 540 L HN 0.356 nan 8.230 nan 0.000 0.418 541 P HA 0.046 nan 4.420 nan 0.000 0.271 541 P C -0.406 176.955 177.300 0.103 0.000 1.220 541 P CA -0.408 62.676 63.100 -0.027 0.000 0.768 541 P CB 0.666 32.342 31.700 -0.041 0.000 0.848 542 c N 3.110 121.772 118.600 0.104 0.000 2.703 542 c HA 0.041 4.611 4.570 -0.000 0.000 0.411 542 c C 1.550 175.676 174.090 0.060 0.000 1.290 542 c CA 0.193 56.578 56.329 0.094 0.000 2.054 542 c CB -1.565 40.967 42.510 0.036 0.000 2.732 542 c HN 0.635 nan 8.230 nan 0.000 0.650 543 H N 3.357 122.407 119.070 -0.034 0.000 2.972 543 H HA 0.073 4.628 4.556 -0.000 0.000 0.343 543 H C -1.290 174.019 175.328 -0.031 0.000 1.054 543 H CA -0.309 55.717 56.048 -0.036 0.000 1.412 543 H CB 0.701 30.426 29.762 -0.061 0.000 1.385 543 H HN 0.410 nan 8.280 nan 0.000 0.600 544 P HA -0.142 nan 4.420 nan 0.000 0.225 544 P C 0.457 177.799 177.300 0.070 0.000 1.148 544 P CA 1.060 64.105 63.100 -0.092 0.000 0.779 544 P CB 0.383 31.984 31.700 -0.164 0.000 0.780 545 E N -1.170 119.222 120.200 0.319 0.000 2.489 545 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 545 E C 0.391 177.020 176.600 0.048 0.000 1.057 545 E CA 0.030 56.552 56.400 0.204 0.000 0.866 545 E CB -0.685 29.156 29.700 0.235 0.000 0.916 545 E HN 0.243 nan 8.360 nan 0.000 0.500 546 c N 2.153 120.787 118.600 0.056 0.000 2.637 546 c HA 0.144 4.714 4.570 -0.000 0.000 0.418 546 c C 0.917 174.978 174.090 -0.049 0.000 1.319 546 c CA -0.685 55.636 56.329 -0.013 0.000 1.949 546 c CB -0.293 42.213 42.510 -0.007 0.000 2.639 546 c HN 0.232 nan 8.230 nan 0.000 0.594 547 Q N 4.627 124.389 119.800 -0.063 0.000 2.295 547 Q HA 0.311 4.651 4.340 -0.000 0.000 0.259 547 Q C -2.439 173.540 176.000 -0.034 0.000 0.976 547 Q CA -1.330 54.432 55.803 -0.069 0.000 0.923 547 Q CB 0.530 29.223 28.738 -0.074 0.000 1.185 547 Q HN 0.444 nan 8.270 nan 0.000 0.410 548 P HA -0.031 nan 4.420 nan 0.000 0.264 548 P C -1.003 176.302 177.300 0.009 0.000 1.193 548 P CA 0.221 63.316 63.100 -0.008 0.000 0.763 548 P CB 0.559 32.254 31.700 -0.008 0.000 0.810 549 Q N 2.705 122.523 119.800 0.030 0.000 2.243 549 Q HA 0.176 4.516 4.340 -0.000 0.000 0.252 549 Q C 0.845 176.888 176.000 0.073 0.000 0.909 549 Q CA -0.269 55.565 55.803 0.051 0.000 0.922 549 Q CB 0.893 29.673 28.738 0.070 0.000 1.215 549 Q HN 0.303 nan 8.270 nan 0.000 0.427 550 N N -0.002 118.735 118.700 0.061 0.000 2.409 550 N HA -0.025 4.715 4.740 -0.000 0.000 0.179 550 N C 0.544 176.103 175.510 0.081 0.000 1.032 550 N CA 0.713 53.801 53.050 0.063 0.000 0.898 550 N CB 0.593 39.102 38.487 0.037 0.000 0.971 550 N HN 0.376 nan 8.380 nan 0.000 0.441 551 S N -1.627 114.129 115.700 0.092 0.000 2.665 551 S HA 0.159 4.629 4.470 -0.000 0.000 0.240 551 S C 0.780 175.476 174.600 0.158 0.000 1.081 551 S CA -0.400 57.849 58.200 0.082 0.000 0.887 551 S CB 0.555 63.782 63.200 0.046 0.000 0.805 551 S HN 0.340 nan 8.310 nan 0.000 0.486 552 S N 0.856 116.684 115.700 0.213 0.000 2.751 552 S HA 0.610 5.080 4.470 -0.000 0.000 0.310 552 S C -0.804 173.984 174.600 0.314 0.000 1.128 552 S CA -0.860 57.531 58.200 0.319 0.000 0.931 552 S CB 1.061 64.372 63.200 0.185 0.000 1.177 552 S HN 0.150 nan 8.310 nan 0.000 0.530 553 E N 0.210 120.546 120.200 0.228 0.000 2.467 553 E HA 0.113 4.463 4.350 -0.000 0.000 0.264 553 E C 0.354 176.964 176.600 0.017 0.000 1.020 553 E CA 0.444 56.826 56.400 -0.031 0.000 0.945 553 E CB 0.360 30.033 29.700 -0.045 0.000 0.942 553 E HN 0.636 nan 8.360 nan 0.000 0.449 554 T N 1.215 115.750 114.554 -0.032 0.000 3.035 554 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 554 T C 0.229 174.922 174.700 -0.011 0.000 1.078 554 T CA 0.639 62.734 62.100 -0.008 0.000 1.132 554 T CB -0.125 68.730 68.868 -0.022 0.000 0.900 554 T HN 0.703 nan 8.240 nan 0.000 0.480 555 c N 0.420 119.007 118.600 -0.022 0.000 3.321 555 c HA 0.766 5.336 4.570 -0.000 0.000 0.329 555 c C -0.029 174.027 174.090 -0.057 0.000 1.394 555 c CA -1.588 54.687 56.329 -0.090 0.000 1.291 555 c CB 0.255 42.661 42.510 -0.173 0.000 1.606 555 c HN 0.405 nan 8.230 nan 0.000 0.463 556 F N -0.320 119.490 119.950 -0.234 0.000 2.729 556 F HA 0.746 5.273 4.527 -0.000 0.000 0.315 556 F C 0.398 175.836 175.800 -0.604 0.000 1.102 556 F CA 0.222 58.052 58.000 -0.284 0.000 1.204 556 F CB 0.061 38.970 39.000 -0.152 0.000 1.052 556 F HN 1.151 nan 8.300 nan 0.000 0.551 557 G N -0.199 107.882 108.800 -1.198 0.000 2.634 557 G HA2 0.341 4.301 3.960 -0.000 0.000 0.309 557 G HA3 0.341 4.301 3.960 -0.000 0.000 0.309 557 G C -0.446 173.877 174.900 -0.962 0.000 1.299 557 G CA -0.078 44.172 45.100 -1.415 0.000 0.798 557 G HN -0.148 nan 8.290 nan 0.000 0.490 558 S N -0.162 115.309 115.700 -0.382 0.000 2.486 558 S HA 0.179 4.649 4.470 -0.000 0.000 0.220 558 S C 0.566 175.164 174.600 -0.004 0.000 1.011 558 S CA 0.292 58.494 58.200 0.003 0.000 0.921 558 S CB 0.007 63.292 63.200 0.142 0.000 0.785 558 S HN 0.449 nan 8.310 nan 0.000 0.517 559 E N 0.915 121.046 120.200 -0.117 0.000 2.319 559 E HA 0.405 4.755 4.350 -0.000 0.000 0.268 559 E C 0.975 177.441 176.600 -0.224 0.000 1.050 559 E CA -0.136 56.206 56.400 -0.098 0.000 0.878 559 E CB 0.645 30.271 29.700 -0.123 0.000 1.066 559 E HN 0.128 nan 8.360 nan 0.000 0.406 560 A N 2.435 124.992 122.820 -0.438 0.000 2.093 560 A HA -0.234 4.086 4.320 -0.000 0.000 0.222 560 A C 1.009 178.406 177.584 -0.312 0.000 1.162 560 A CA 1.940 53.607 52.037 -0.618 0.000 0.655 560 A CB -0.405 18.140 19.000 -0.757 0.000 0.805 560 A HN 0.458 nan 8.150 nan 0.000 0.461 561 D N -0.542 119.712 120.400 -0.244 0.000 2.347 561 D HA -0.022 4.618 4.640 -0.000 0.000 0.215 561 D C 1.187 177.351 176.300 -0.228 0.000 0.976 561 D CA 0.774 54.668 54.000 -0.177 0.000 0.884 561 D CB -0.224 40.499 40.800 -0.128 0.000 0.915 561 D HN 0.690 nan 8.370 nan 0.000 0.526 562 Q N -0.131 119.447 119.800 -0.370 0.000 2.175 562 Q HA 0.230 4.569 4.340 -0.000 0.000 0.225 562 Q C -0.397 175.259 176.000 -0.574 0.000 0.837 562 Q CA -0.230 55.132 55.803 -0.735 0.000 1.032 562 Q CB 0.703 28.807 28.738 -1.057 0.000 1.137 562 Q HN 0.149 nan 8.270 nan 0.000 0.483 563 c N 0.233 118.684 118.600 -0.248 0.000 2.466 563 c HA 0.485 5.055 4.570 -0.000 0.000 0.379 563 c C 2.075 176.164 174.090 -0.002 0.000 1.251 563 c CA -0.381 55.880 56.329 -0.113 0.000 2.263 563 c CB 0.746 43.208 42.510 -0.080 0.000 2.511 563 c HN 0.629 nan 8.230 nan 0.000 0.573 564 A N 1.942 124.785 122.820 0.040 0.000 1.908 564 A HA 0.313 4.633 4.320 -0.000 0.000 0.218 564 A C 1.018 178.622 177.584 0.032 0.000 1.181 564 A CA 2.111 54.187 52.037 0.065 0.000 0.627 564 A CB -0.303 18.733 19.000 0.059 0.000 0.818 564 A HN 1.523 nan 8.150 nan 0.000 0.445 565 A N -3.344 119.478 122.820 0.004 0.000 2.601 565 A HA 0.510 4.830 4.320 -0.000 0.000 0.291 565 A C -0.829 176.736 177.584 -0.032 0.000 1.075 565 A CA -0.230 51.802 52.037 -0.008 0.000 0.671 565 A CB 0.203 19.202 19.000 -0.002 0.000 1.277 565 A HN 0.486 nan 8.150 nan 0.000 0.417 566 c N 1.263 119.841 118.600 -0.035 0.000 2.435 566 c HA 0.554 5.124 4.570 -0.000 0.000 0.375 566 c C 1.979 175.996 174.090 -0.120 0.000 1.281 566 c CA 0.344 56.638 56.329 -0.058 0.000 1.963 566 c CB 0.248 42.746 42.510 -0.021 0.000 2.490 566 c HN 1.107 nan 8.230 nan 0.000 0.557 567 A N 2.121 124.806 122.820 -0.225 0.000 1.968 567 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 567 A C 1.246 178.430 177.584 -0.666 0.000 1.169 567 A CA 1.553 53.315 52.037 -0.460 0.000 0.638 567 A CB -0.307 18.321 19.000 -0.621 0.000 0.812 567 A HN 1.027 nan 8.150 nan 0.000 0.446 568 H N -3.888 115.104 119.070 -0.130 0.000 4.862 568 H HA 0.465 5.021 4.556 -0.000 0.000 0.106 568 H C -0.244 174.952 175.328 -0.220 0.000 1.287 568 H CA -0.150 55.709 56.048 -0.314 0.000 0.795 568 H CB 0.261 29.738 29.762 -0.475 0.000 1.576 568 H HN 0.337 nan 8.280 nan 0.000 0.231 569 Y N 0.035 120.422 120.300 0.146 0.000 2.631 569 Y HA 0.467 5.017 4.550 -0.000 0.000 0.328 569 Y C -0.260 175.652 175.900 0.021 0.000 1.118 569 Y CA -1.131 57.005 58.100 0.061 0.000 1.206 569 Y CB 1.786 40.275 38.460 0.049 0.000 1.337 569 Y HN 0.013 nan 8.280 nan 0.000 0.515 570 K N 1.227 121.734 120.400 0.180 0.000 2.443 570 K HA 0.241 4.561 4.320 -0.000 0.000 0.252 570 K C -2.222 174.393 176.600 0.025 0.000 0.933 570 K CA -0.632 55.695 56.287 0.068 0.000 0.792 570 K CB 1.586 34.108 32.500 0.036 0.000 1.185 570 K HN 0.597 nan 8.250 nan 0.000 0.425 571 D N 2.472 122.873 120.400 0.002 0.000 2.505 571 D HA 0.254 4.894 4.640 -0.000 0.000 0.250 571 D C 0.116 176.395 176.300 -0.034 0.000 1.164 571 D CA 0.493 54.479 54.000 -0.024 0.000 0.870 571 D CB 1.274 42.061 40.800 -0.021 0.000 1.160 571 D HN 0.663 nan 8.370 nan 0.000 0.549 572 S N 3.212 118.889 115.700 -0.037 0.000 4.150 572 S HA -0.341 4.129 4.470 -0.000 0.000 0.575 572 S C 1.182 175.764 174.600 -0.030 0.000 1.878 572 S CA 2.385 60.565 58.200 -0.034 0.000 4.245 572 S CB -1.634 61.544 63.200 -0.036 0.000 0.231 572 S HN 0.892 nan 8.310 nan 0.000 0.469 573 S N 1.201 116.881 115.700 -0.034 0.000 2.539 573 S HA 0.535 5.005 4.470 -0.000 0.000 0.221 573 S C 0.223 174.793 174.600 -0.051 0.000 0.987 573 S CA 0.747 58.927 58.200 -0.032 0.000 0.929 573 S CB 0.049 63.235 63.200 -0.024 0.000 0.832 573 S HN 1.637 nan 8.310 nan 0.000 0.492 574 S N 0.194 115.856 115.700 -0.063 0.000 2.532 574 S HA 0.693 5.163 4.470 -0.000 0.000 0.301 574 S C -0.240 174.310 174.600 -0.082 0.000 1.083 574 S CA -0.830 57.310 58.200 -0.099 0.000 1.025 574 S CB 0.833 63.951 63.200 -0.136 0.000 1.056 574 S HN 0.323 nan 8.310 nan 0.000 0.494 575 c N 2.857 121.386 118.600 -0.118 0.000 2.514 575 c HA 0.746 5.316 4.570 -0.000 0.000 0.392 575 c C 0.528 174.591 174.090 -0.044 0.000 1.294 575 c CA -0.517 55.775 56.329 -0.062 0.000 1.957 575 c CB -0.539 41.929 42.510 -0.070 0.000 2.541 575 c HN 0.808 nan 8.230 nan 0.000 0.569 576 V N 1.132 121.073 119.914 0.044 0.000 2.925 576 V HA 0.832 4.952 4.120 -0.000 0.000 0.311 576 V C 0.356 176.523 176.094 0.122 0.000 1.104 576 V CA -0.346 62.001 62.300 0.078 0.000 0.954 576 V CB 1.306 33.173 31.823 0.073 0.000 1.022 576 V HN 0.882 nan 8.190 nan 0.000 0.427 577 A N 2.428 125.303 122.820 0.092 0.000 2.014 577 A HA 0.302 4.622 4.320 -0.000 0.000 0.218 577 A C 1.108 178.693 177.584 0.002 0.000 1.163 577 A CA 0.936 52.965 52.037 -0.013 0.000 0.652 577 A CB -0.100 18.878 19.000 -0.037 0.000 0.808 577 A HN 0.799 nan 8.150 nan 0.000 0.449 578 R N -2.147 118.437 120.500 0.140 0.000 2.643 578 R HA 0.334 4.674 4.340 -0.000 0.000 0.269 578 R C -1.530 174.887 176.300 0.195 0.000 1.037 578 R CA -0.666 55.577 56.100 0.238 0.000 0.894 578 R CB 1.357 31.727 30.300 0.117 0.000 1.238 578 R HN 0.268 nan 8.270 nan 0.000 0.459 579 c N 3.295 121.992 118.600 0.161 0.000 2.662 579 c HA 0.184 4.754 4.570 -0.000 0.000 0.420 579 c C -1.643 172.463 174.090 0.028 0.000 1.314 579 c CA -0.760 55.594 56.329 0.042 0.000 1.963 579 c CB -0.034 42.450 42.510 -0.044 0.000 2.686 579 c HN 0.450 nan 8.230 nan 0.000 0.609 580 P HA 0.097 nan 4.420 nan 0.000 0.265 580 P C -0.800 176.459 177.300 -0.070 0.000 1.222 580 P CA 0.458 63.519 63.100 -0.064 0.000 0.767 580 P CB 0.363 32.006 31.700 -0.095 0.000 0.801 581 S N 1.795 117.437 115.700 -0.096 0.000 2.566 581 S HA 0.567 5.037 4.470 -0.000 0.000 0.324 581 S C 0.916 175.064 174.600 -0.752 0.000 1.081 581 S CA -0.241 57.886 58.200 -0.123 0.000 1.105 581 S CB 1.018 64.377 63.200 0.266 0.000 0.981 581 S HN 0.794 nan 8.310 nan 0.000 0.464 582 G N 1.817 109.489 108.800 -1.880 0.000 2.272 582 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.280 582 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.280 582 G C -0.189 174.270 174.900 -0.736 0.000 1.067 582 G CA -0.132 43.891 45.100 -1.795 0.000 0.902 582 G HN 0.843 nan 8.290 nan 0.000 0.500 583 V N 0.300 119.886 119.914 -0.546 0.000 2.407 583 V HA 0.425 4.545 4.120 -0.000 0.000 0.278 583 V C 0.630 176.574 176.094 -0.250 0.000 1.037 583 V CA -0.434 61.685 62.300 -0.301 0.000 0.900 583 V CB 1.644 33.343 31.823 -0.208 0.000 0.983 583 V HN 0.341 nan 8.190 nan 0.000 0.459 584 K N 5.529 125.821 120.400 -0.181 0.000 2.240 584 K HA 0.487 4.807 4.320 -0.000 0.000 0.271 584 K C -2.435 174.107 176.600 -0.097 0.000 1.018 584 K CA -1.552 54.652 56.287 -0.139 0.000 0.874 584 K CB 1.583 34.021 32.500 -0.103 0.000 1.098 584 K HN 0.452 nan 8.250 nan 0.000 0.458 585 P HA -0.034 nan 4.420 nan 0.000 0.268 585 P C 0.220 177.495 177.300 -0.042 0.000 1.208 585 P CA -0.140 62.922 63.100 -0.063 0.000 0.777 585 P CB 0.635 32.297 31.700 -0.063 0.000 0.875 586 D N 0.943 121.325 120.400 -0.030 0.000 2.564 586 D HA -0.202 4.438 4.640 -0.000 0.000 0.209 586 D C 0.683 176.979 176.300 -0.007 0.000 1.075 586 D CA 1.672 55.662 54.000 -0.017 0.000 0.922 586 D CB -0.286 40.507 40.800 -0.012 0.000 1.186 586 D HN 0.280 nan 8.370 nan 0.000 0.487 587 L N -0.150 121.073 121.223 0.000 0.000 3.001 587 L HA 0.294 4.634 4.340 -0.000 0.000 0.234 587 L C 0.017 176.907 176.870 0.033 0.000 1.321 587 L CA -0.363 54.487 54.840 0.016 0.000 1.138 587 L CB 0.160 42.228 42.059 0.016 0.000 1.503 587 L HN -0.050 nan 8.230 nan 0.000 0.487 588 S N -0.972 114.743 115.700 0.025 0.000 2.536 588 S HA 0.301 4.771 4.470 -0.000 0.000 0.287 588 S C 0.375 175.004 174.600 0.048 0.000 1.101 588 S CA -0.663 57.558 58.200 0.035 0.000 0.950 588 S CB 1.148 64.324 63.200 -0.040 0.000 1.056 588 S HN 0.383 nan 8.310 nan 0.000 0.481 589 Y N 3.554 123.854 120.300 0.001 0.000 2.519 589 Y HA 0.444 4.994 4.550 -0.000 0.000 0.287 589 Y C 0.586 176.494 175.900 0.013 0.000 1.128 589 Y CA -0.035 58.069 58.100 0.008 0.000 1.282 589 Y CB 0.021 38.490 38.460 0.016 0.000 1.027 589 Y HN 0.522 nan 8.280 nan 0.000 0.551 590 M N 4.046 123.131 119.600 -0.859 0.000 2.156 590 M HA 0.429 4.909 4.480 -0.000 0.000 0.345 590 M C -2.995 173.109 176.300 -0.327 0.000 1.398 590 M CA -2.626 52.212 55.300 -0.770 0.000 1.148 590 M CB 0.536 32.686 32.600 -0.750 0.000 1.663 590 M HN -0.087 nan 8.290 nan 0.000 0.464 591 P HA 0.342 nan 4.420 nan 0.000 0.282 591 P C -1.015 176.100 177.300 -0.308 0.000 1.249 591 P CA -0.222 62.710 63.100 -0.280 0.000 0.806 591 P CB 0.694 32.212 31.700 -0.304 0.000 0.984 592 I N 2.569 122.920 120.570 -0.365 0.000 2.342 592 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 592 I C -0.443 175.436 176.117 -0.398 0.000 1.010 592 I CA -0.124 61.023 61.300 -0.255 0.000 1.308 592 I CB 0.564 38.465 38.000 -0.164 0.000 1.400 592 I HN 0.264 nan 8.210 nan 0.000 0.488 593 W N 7.138 128.431 121.300 -0.013 0.000 2.475 593 W HA 0.550 5.209 4.660 -0.000 0.000 0.320 593 W C -0.277 176.258 176.519 0.025 0.000 1.022 593 W CA -0.615 56.736 57.345 0.010 0.000 1.240 593 W CB 1.311 30.783 29.460 0.020 0.000 1.328 593 W HN 0.207 nan 8.180 nan 0.000 0.439 594 K N 2.131 122.664 120.400 0.222 0.000 2.433 594 K HA 0.616 4.936 4.320 -0.000 0.000 0.252 594 K C -1.495 175.201 176.600 0.161 0.000 1.015 594 K CA -1.348 55.008 56.287 0.116 0.000 0.860 594 K CB 3.001 35.483 32.500 -0.030 0.000 1.359 594 K HN 0.456 nan 8.250 nan 0.000 0.452 595 Y N -1.745 118.547 120.300 -0.013 0.000 2.534 595 Y HA 0.499 5.049 4.550 -0.000 0.000 0.345 595 Y C -3.088 172.725 175.900 -0.144 0.000 1.031 595 Y CA -2.948 55.111 58.100 -0.068 0.000 1.022 595 Y CB 1.402 39.838 38.460 -0.039 0.000 1.292 595 Y HN 0.312 nan 8.280 nan 0.000 0.459 596 P HA 0.083 nan 4.420 nan 0.000 0.282 596 P C -0.445 176.759 177.300 -0.160 0.000 1.262 596 P CA 0.109 62.975 63.100 -0.390 0.000 0.773 596 P CB 1.249 32.452 31.700 -0.829 0.000 0.879 597 D N 1.733 122.018 120.400 -0.192 0.000 2.351 597 D HA -0.148 4.492 4.640 -0.000 0.000 0.232 597 D C 1.664 177.975 176.300 0.020 0.000 1.275 597 D CA 0.382 54.356 54.000 -0.044 0.000 0.882 597 D CB 0.548 41.316 40.800 -0.052 0.000 1.221 597 D HN 0.496 nan 8.370 nan 0.000 0.485 598 E N 0.391 120.621 120.200 0.050 0.000 2.265 598 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 598 E C 0.508 177.140 176.600 0.054 0.000 0.996 598 E CA 1.016 57.448 56.400 0.053 0.000 0.832 598 E CB 0.046 29.775 29.700 0.048 0.000 0.756 598 E HN 0.348 nan 8.360 nan 0.000 0.491 599 E N 0.009 120.235 120.200 0.043 0.000 2.499 599 E HA 0.112 4.462 4.350 -0.000 0.000 0.199 599 E C 0.575 177.219 176.600 0.074 0.000 1.016 599 E CA 0.352 56.784 56.400 0.052 0.000 0.933 599 E CB 1.064 30.785 29.700 0.035 0.000 1.050 599 E HN 0.491 nan 8.360 nan 0.000 0.462 600 G N 1.609 110.457 108.800 0.080 0.000 2.132 600 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.234 600 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.234 600 G C 0.204 175.141 174.900 0.062 0.000 0.989 600 G CA -0.196 44.996 45.100 0.153 0.000 0.676 600 G HN 0.162 nan 8.290 nan 0.000 0.522 601 I N 1.146 121.698 120.570 -0.029 0.000 2.342 601 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 601 I C 1.218 177.232 176.117 -0.172 0.000 1.010 601 I CA -1.484 59.777 61.300 -0.066 0.000 1.308 601 I CB 0.606 38.572 38.000 -0.056 0.000 1.400 601 I HN 0.117 nan 8.210 nan 0.000 0.488 602 c N 6.673 125.177 118.600 -0.159 0.000 2.657 602 c HA 0.175 4.745 4.570 -0.000 0.000 0.404 602 c C 0.755 174.674 174.090 -0.285 0.000 1.369 602 c CA -0.478 55.710 56.329 -0.235 0.000 1.665 602 c CB -0.830 41.601 42.510 -0.132 0.000 2.453 602 c HN 0.573 nan 8.230 nan 0.000 0.599 603 Q N 3.731 123.217 119.800 -0.523 0.000 2.306 603 Q HA 0.431 4.771 4.340 -0.000 0.000 0.265 603 Q C -2.444 173.326 176.000 -0.383 0.000 1.022 603 Q CA -2.640 52.858 55.803 -0.508 0.000 0.853 603 Q CB 1.204 29.482 28.738 -0.766 0.000 1.327 603 Q HN 0.383 nan 8.270 nan 0.000 0.449 604 P HA 0.059 nan 4.420 nan 0.000 0.267 604 P C -0.408 177.022 177.300 0.218 0.000 1.209 604 P CA -0.089 63.034 63.100 0.038 0.000 0.763 604 P CB 0.365 32.089 31.700 0.040 0.000 0.816 605 C N 6.889 126.366 119.300 0.294 0.000 2.657 605 C HA 0.070 4.530 4.460 -0.000 0.000 0.420 605 C C -0.435 174.649 174.990 0.156 0.000 1.323 605 C CA -0.255 58.937 59.018 0.290 0.000 1.894 605 C CB -0.506 27.377 27.740 0.238 0.000 2.681 605 C HN 0.592 nan 8.230 nan 0.000 0.613 606 P HA 0.154 nan 4.420 nan 0.000 0.241 606 P C -0.087 177.223 177.300 0.017 0.000 1.191 606 P CA 1.057 64.186 63.100 0.048 0.000 0.771 606 P CB 0.089 31.798 31.700 0.016 0.000 0.929 607 I N -0.580 119.985 120.570 -0.008 0.000 2.689 607 I HA 0.254 4.424 4.170 -0.000 0.000 0.299 607 I C 0.351 176.436 176.117 -0.055 0.000 1.059 607 I CA -0.974 60.298 61.300 -0.047 0.000 1.055 607 I CB 2.056 39.995 38.000 -0.102 0.000 1.243 607 I HN -0.236 nan 8.210 nan 0.000 0.425 608 N N 0.000 118.686 118.700 -0.023 0.000 1.763 608 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 608 N CA 0.000 53.081 53.050 0.052 0.000 0.885 608 N CB 0.000 38.553 38.487 0.109 0.000 1.341 608 N HN 0.000 nan 8.380 nan 0.000 0.667