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 3opf_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVRGFYLRFG EGVSEEANRR ALALAEALLR APPPGLLDAV PAYGVLYLEY DATA SEQUENCE DPRRLSRGRL LRLLKGLPQE RAEEGRVVEI PVRYDGEDLP EVASRLGLSL DATA SEQUENCE EAVKALHQKP LYRVYALGFT PGFPFLAEVE PALRLPRKPH PRPRVPAHAV DATA SEQUENCE AVAGVQTGIY PLPSPGGWNL LGTSLVAVYD PHRETPFLLR PGDRVRFLEA DATA SEQUENCE EGPTPPEPRP LELLPEEPRL PALLVEEPGL MDLVVDGGRF LGGHLGLARS DATA SEQUENCE GPLDAPSARL ANRLVGNGAG APLLEFAYKG PVLTALRDLV AAFAGYGFVA DATA SEQUENCE LLEGEEIPPG QSFLWPRGKT LRFRPRGPGV RGYLAVAGGL EVRPFLGSAS DATA SEQUENCE PDLRGRIGRP LWAGDVLGLE ALRPVRPGRA FPQRPLPEAF RLRLLPGPQF DATA SEQUENCE AGEAFRALCS GPFRVARADR VGVELLGPEV PGGEGLSEPT PLGGVQVPPS DATA SEQUENCE GRPLVLLADK GSLGGYAKPA LVDPRDLWLL GQARPGVEIH FTS 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.253 176.300 -0.078 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 1 M CB 0.000 32.578 32.600 -0.037 0.000 1.302 2 V N 3.484 123.347 119.914 -0.086 0.000 2.588 2 V HA 0.672 4.792 4.120 0.001 0.000 0.304 2 V C -0.544 175.416 176.094 -0.223 0.000 1.042 2 V CA -0.692 61.516 62.300 -0.152 0.000 0.877 2 V CB 2.218 34.003 31.823 -0.063 0.000 0.996 2 V HN 0.806 nan 8.190 nan 0.000 0.425 3 R N 1.914 122.124 120.500 -0.482 0.000 2.892 3 R HA 0.899 5.239 4.340 0.001 0.000 0.265 3 R C -0.218 175.737 176.300 -0.574 0.000 1.025 3 R CA -0.739 55.058 56.100 -0.505 0.000 0.982 3 R CB 2.556 32.499 30.300 -0.594 0.000 1.185 3 R HN 0.900 nan 8.270 nan 0.000 0.484 4 G N 0.555 109.218 108.800 -0.230 0.000 2.660 4 G HA2 0.680 4.640 3.960 0.001 0.000 0.290 4 G HA3 0.680 4.640 3.960 0.001 0.000 0.290 4 G C -1.666 173.234 174.900 -0.000 0.000 1.432 4 G CA -0.617 44.307 45.100 -0.295 0.000 0.807 4 G HN 0.428 nan 8.290 nan 0.000 0.485 5 F N -2.119 117.794 119.950 -0.062 0.000 2.693 5 F HA 0.727 5.255 4.527 0.001 0.000 0.309 5 F C -2.077 173.725 175.800 0.004 0.000 1.129 5 F CA -2.382 55.672 58.000 0.090 0.000 0.948 5 F CB 0.949 40.015 39.000 0.110 0.000 1.315 5 F HN 0.469 nan 8.300 nan 0.000 0.447 6 Y N 2.006 122.614 120.300 0.514 0.000 2.328 6 Y HA 0.662 5.213 4.550 0.001 0.000 0.337 6 Y C -0.562 175.496 175.900 0.264 0.000 1.008 6 Y CA -0.817 57.516 58.100 0.388 0.000 1.129 6 Y CB 1.599 40.226 38.460 0.280 0.000 1.185 6 Y HN 0.472 nan 8.280 nan 0.000 0.476 7 L N 4.672 126.095 121.223 0.333 0.000 2.325 7 L HA 0.581 4.921 4.340 0.001 0.000 0.279 7 L C -0.340 176.529 176.870 -0.002 0.000 1.054 7 L CA -0.532 54.348 54.840 0.066 0.000 0.804 7 L CB 1.187 43.271 42.059 0.042 0.000 1.200 7 L HN 0.568 nan 8.230 nan 0.000 0.436 8 R N 2.355 122.697 120.500 -0.263 0.000 2.628 8 R HA 0.442 4.782 4.340 0.001 0.000 0.288 8 R C -0.797 175.261 176.300 -0.402 0.000 0.980 8 R CA -0.449 55.566 56.100 -0.142 0.000 0.891 8 R CB 1.555 31.851 30.300 -0.007 0.000 1.188 8 R HN 0.416 nan 8.270 nan 0.000 0.450 9 F N 0.257 120.273 119.950 0.111 0.000 2.724 9 F HA 0.426 4.954 4.527 0.001 0.000 0.310 9 F C 0.644 176.494 175.800 0.083 0.000 1.107 9 F CA -0.254 57.800 58.000 0.090 0.000 1.218 9 F CB 1.995 41.050 39.000 0.093 0.000 1.042 9 F HN 0.774 nan 8.300 nan 0.000 0.540 10 G N 1.113 110.027 108.800 0.190 0.000 2.312 10 G HA2 0.143 4.103 3.960 0.001 0.000 0.322 10 G HA3 0.143 4.103 3.960 0.001 0.000 0.322 10 G C -1.069 173.903 174.900 0.121 0.000 1.645 10 G CA -1.208 43.976 45.100 0.141 0.000 0.919 10 G HN 0.159 nan 8.290 nan 0.000 0.699 11 E N 0.984 121.227 120.200 0.071 0.000 2.392 11 E HA 0.603 4.953 4.350 0.001 0.000 0.256 11 E C 0.956 177.572 176.600 0.027 0.000 1.145 11 E CA 0.112 56.536 56.400 0.040 0.000 0.929 11 E CB 1.346 31.052 29.700 0.011 0.000 0.998 11 E HN 2.446 nan 8.360 nan 0.000 0.442 12 G N -0.187 108.597 108.800 -0.027 0.000 2.698 12 G HA2 -0.251 3.709 3.960 0.001 0.000 0.233 12 G HA3 -0.251 3.709 3.960 0.001 0.000 0.233 12 G C -0.396 174.459 174.900 -0.075 0.000 1.352 12 G CA -0.302 44.748 45.100 -0.083 0.000 0.879 12 G HN 0.700 nan 8.290 nan 0.000 0.567 13 V N 1.390 121.227 119.914 -0.128 0.000 2.276 13 V HA 0.528 4.648 4.120 0.001 0.000 0.249 13 V C 0.802 176.851 176.094 -0.075 0.000 1.160 13 V CA 0.824 63.028 62.300 -0.161 0.000 1.042 13 V CB 0.407 32.056 31.823 -0.290 0.000 1.224 13 V HN 1.146 nan 8.190 nan 0.000 0.496 14 S N 2.625 118.392 115.700 0.113 0.000 2.478 14 S HA 0.341 4.811 4.470 0.001 0.000 0.312 14 S C 0.875 175.694 174.600 0.364 0.000 1.094 14 S CA -0.604 57.707 58.200 0.186 0.000 1.081 14 S CB 1.794 65.086 63.200 0.152 0.000 1.007 14 S HN 0.810 nan 8.310 nan 0.000 0.475 15 E N 2.763 123.165 120.200 0.336 0.000 2.051 15 E HA -0.193 4.157 4.350 0.001 0.000 0.192 15 E C 1.475 178.171 176.600 0.159 0.000 0.991 15 E CA 1.523 58.107 56.400 0.306 0.000 0.799 15 E CB -0.101 29.724 29.700 0.208 0.000 0.748 15 E HN 0.790 nan 8.360 nan 0.000 0.449 16 E N 0.613 120.888 120.200 0.125 0.000 2.051 16 E HA -0.151 4.199 4.350 0.001 0.000 0.192 16 E C 1.749 178.396 176.600 0.078 0.000 0.991 16 E CA 1.630 58.075 56.400 0.076 0.000 0.799 16 E CB -0.423 29.319 29.700 0.070 0.000 0.748 16 E HN 0.319 nan 8.360 nan 0.000 0.449 17 A N 1.015 123.920 122.820 0.142 0.000 1.940 17 A HA -0.249 4.072 4.320 0.001 0.000 0.219 17 A C 2.240 179.912 177.584 0.147 0.000 1.176 17 A CA 1.790 53.939 52.037 0.187 0.000 0.631 17 A CB -0.982 18.167 19.000 0.248 0.000 0.814 17 A HN 0.486 nan 8.150 nan 0.000 0.446 18 N N -0.487 118.319 118.700 0.176 0.000 2.142 18 N HA -0.188 4.552 4.740 0.001 0.000 0.186 18 N C 2.075 177.564 175.510 -0.035 0.000 1.023 18 N CA 1.255 54.373 53.050 0.113 0.000 0.852 18 N CB -0.246 38.322 38.487 0.137 0.000 0.998 18 N HN 0.556 nan 8.380 nan 0.000 0.424 19 R N 0.918 121.387 120.500 -0.053 0.000 2.105 19 R HA -0.074 4.267 4.340 0.001 0.000 0.239 19 R C 2.202 178.399 176.300 -0.173 0.000 1.135 19 R CA 1.226 57.267 56.100 -0.098 0.000 0.967 19 R CB 0.003 30.264 30.300 -0.066 0.000 0.861 19 R HN 0.294 nan 8.270 nan 0.000 0.442 20 R N -0.400 119.941 120.500 -0.264 0.000 2.073 20 R HA -0.004 4.337 4.340 0.001 0.000 0.229 20 R C 2.364 178.195 176.300 -0.782 0.000 1.120 20 R CA 1.078 56.849 56.100 -0.549 0.000 0.967 20 R CB -0.270 29.599 30.300 -0.718 0.000 0.862 20 R HN 0.218 nan 8.270 nan 0.000 0.436 21 A N 1.592 124.048 122.820 -0.607 0.000 1.883 21 A HA -0.152 4.168 4.320 0.001 0.000 0.217 21 A C 2.204 179.709 177.584 -0.131 0.000 1.186 21 A CA 1.233 53.128 52.037 -0.237 0.000 0.624 21 A CB -0.629 18.429 19.000 0.096 0.000 0.822 21 A HN 0.161 nan 8.150 nan 0.000 0.444 22 L N -0.806 120.343 121.223 -0.124 0.000 2.012 22 L HA -0.231 4.110 4.340 0.001 0.000 0.210 22 L C 3.151 179.955 176.870 -0.109 0.000 1.073 22 L CA 1.152 55.933 54.840 -0.099 0.000 0.748 22 L CB -0.657 41.344 42.059 -0.096 0.000 0.891 22 L HN 0.454 nan 8.230 nan 0.000 0.431 23 A N -0.031 122.707 122.820 -0.136 0.000 1.917 23 A HA -0.229 4.091 4.320 0.001 0.000 0.219 23 A C 2.278 179.807 177.584 -0.093 0.000 1.182 23 A CA 1.788 53.757 52.037 -0.113 0.000 0.633 23 A CB -0.752 18.172 19.000 -0.127 0.000 0.819 23 A HN 0.385 nan 8.150 nan 0.000 0.448 24 L N -1.326 119.837 121.223 -0.100 0.000 2.072 24 L HA -0.121 4.220 4.340 0.001 0.000 0.205 24 L C 3.125 179.971 176.870 -0.040 0.000 1.079 24 L CA 0.939 55.755 54.840 -0.041 0.000 0.752 24 L CB -0.502 41.571 42.059 0.023 0.000 0.906 24 L HN 0.459 nan 8.230 nan 0.000 0.436 25 A N -0.082 122.708 122.820 -0.051 0.000 1.902 25 A HA -0.232 4.088 4.320 0.001 0.000 0.217 25 A C 2.092 179.604 177.584 -0.120 0.000 1.181 25 A CA 1.710 53.700 52.037 -0.078 0.000 0.623 25 A CB -0.412 18.543 19.000 -0.075 0.000 0.818 25 A HN 0.452 nan 8.150 nan 0.000 0.443 26 E N -0.343 119.794 120.200 -0.107 0.000 2.106 26 E HA -0.040 4.311 4.350 0.001 0.000 0.192 26 E C 2.330 178.879 176.600 -0.086 0.000 0.984 26 E CA 0.779 57.116 56.400 -0.106 0.000 0.806 26 E CB -0.276 29.373 29.700 -0.085 0.000 0.750 26 E HN 0.614 nan 8.360 nan 0.000 0.458 27 A N 1.269 124.048 122.820 -0.069 0.000 1.883 27 A HA -0.181 4.140 4.320 0.001 0.000 0.217 27 A C 2.187 179.737 177.584 -0.057 0.000 1.186 27 A CA 1.156 53.160 52.037 -0.054 0.000 0.624 27 A CB -0.657 18.317 19.000 -0.042 0.000 0.822 27 A HN 0.133 nan 8.150 nan 0.000 0.444 28 L N -0.860 120.325 121.223 -0.064 0.000 2.056 28 L HA -0.126 4.214 4.340 0.001 0.000 0.207 28 L C 2.458 179.279 176.870 -0.081 0.000 1.078 28 L CA 0.960 55.760 54.840 -0.067 0.000 0.749 28 L CB -0.422 41.596 42.059 -0.068 0.000 0.901 28 L HN 0.357 nan 8.230 nan 0.000 0.433 29 L N -0.956 120.199 121.223 -0.112 0.000 2.291 29 L HA -0.116 4.224 4.340 0.001 0.000 0.214 29 L C 2.719 179.539 176.870 -0.083 0.000 1.120 29 L CA 0.710 55.474 54.840 -0.127 0.000 0.799 29 L CB -0.369 41.549 42.059 -0.236 0.000 0.925 29 L HN 0.194 nan 8.230 nan 0.000 0.446 30 R N 0.165 120.623 120.500 -0.071 0.000 2.073 30 R HA 0.038 4.378 4.340 0.001 0.000 0.229 30 R C 0.759 177.035 176.300 -0.040 0.000 1.120 30 R CA 1.142 57.213 56.100 -0.049 0.000 0.967 30 R CB 0.012 30.286 30.300 -0.044 0.000 0.862 30 R HN 0.230 nan 8.270 nan 0.000 0.436 31 A N 1.714 124.509 122.820 -0.042 0.000 3.216 31 A HA 0.308 4.628 4.320 0.001 0.000 0.321 31 A C -2.505 175.054 177.584 -0.041 0.000 1.042 31 A CA -1.296 50.719 52.037 -0.037 0.000 0.838 31 A CB 0.520 19.501 19.000 -0.032 0.000 1.136 31 A HN -0.040 nan 8.150 nan 0.000 0.483 32 P HA 0.299 nan 4.420 nan 0.000 0.276 32 P C -2.621 174.650 177.300 -0.048 0.000 1.243 32 P CA -0.721 62.349 63.100 -0.049 0.000 0.768 32 P CB 0.521 32.192 31.700 -0.047 0.000 0.856 33 P HA 0.266 nan 4.420 nan 0.000 0.274 33 P C -2.580 174.685 177.300 -0.058 0.000 1.231 33 P CA -1.827 61.243 63.100 -0.050 0.000 0.790 33 P CB -0.853 30.816 31.700 -0.051 0.000 0.951 34 P HA 0.078 nan 4.420 nan 0.000 0.261 34 P C 1.040 178.298 177.300 -0.070 0.000 1.183 34 P CA 1.334 64.394 63.100 -0.067 0.000 0.761 34 P CB -0.212 31.455 31.700 -0.055 0.000 0.785 35 G N 1.972 110.712 108.800 -0.099 0.000 2.213 35 G HA2 -0.226 3.735 3.960 0.001 0.000 0.226 35 G HA3 -0.226 3.735 3.960 0.001 0.000 0.226 35 G C -0.242 174.618 174.900 -0.067 0.000 0.992 35 G CA -0.332 44.718 45.100 -0.083 0.000 0.632 35 G HN 0.588 nan 8.290 nan 0.000 0.511 36 L N 1.663 122.839 121.223 -0.079 0.000 2.361 36 L HA 0.666 5.007 4.340 0.001 0.000 0.278 36 L C 1.221 178.032 176.870 -0.098 0.000 1.113 36 L CA -0.311 54.487 54.840 -0.070 0.000 0.849 36 L CB 0.870 42.884 42.059 -0.074 0.000 1.155 36 L HN 0.008 nan 8.230 nan 0.000 0.452 37 L N 3.328 124.506 121.223 -0.075 0.000 2.515 37 L HA 0.439 4.780 4.340 0.001 0.000 0.223 37 L C -0.044 176.874 176.870 0.081 0.000 1.079 37 L CA 0.508 55.343 54.840 -0.008 0.000 0.857 37 L CB -0.600 41.474 42.059 0.025 0.000 1.050 37 L HN 0.613 nan 8.230 nan 0.000 0.476 38 D N -1.624 118.770 120.400 -0.011 0.000 2.685 38 D HA 0.640 5.280 4.640 0.001 0.000 0.236 38 D C -1.385 174.864 176.300 -0.086 0.000 1.233 38 D CA -0.131 53.867 54.000 -0.004 0.000 0.760 38 D CB 2.273 43.092 40.800 0.032 0.000 1.410 38 D HN -0.130 nan 8.370 nan 0.000 0.439 39 A N 1.414 124.203 122.820 -0.052 0.000 2.679 39 A HA 0.551 4.871 4.320 0.001 0.000 0.288 39 A C -1.336 176.238 177.584 -0.017 0.000 1.160 39 A CA -0.490 51.501 52.037 -0.077 0.000 0.763 39 A CB 0.689 19.627 19.000 -0.103 0.000 1.270 39 A HN 0.187 nan 8.150 nan 0.000 0.417 40 V N 4.474 124.421 119.914 0.055 0.000 2.334 40 V HA 0.486 4.607 4.120 0.001 0.000 0.281 40 V C -2.384 173.793 176.094 0.138 0.000 1.016 40 V CA -1.572 60.800 62.300 0.120 0.000 0.832 40 V CB 1.442 33.366 31.823 0.168 0.000 0.999 40 V HN 0.747 nan 8.190 nan 0.000 0.439 41 P HA 0.642 nan 4.420 nan 0.000 0.294 41 P C -0.961 176.402 177.300 0.105 0.000 1.294 41 P CA -0.533 62.638 63.100 0.118 0.000 0.827 41 P CB 2.027 33.762 31.700 0.058 0.000 0.992 42 A N 3.654 126.570 122.820 0.160 0.000 2.442 42 A HA 0.671 4.991 4.320 0.001 0.000 0.284 42 A C -0.720 177.012 177.584 0.248 0.000 1.058 42 A CA -0.501 51.596 52.037 0.101 0.000 0.738 42 A CB 0.223 19.346 19.000 0.204 0.000 1.242 42 A HN 0.485 nan 8.150 nan 0.000 0.421 43 Y N 0.506 120.983 120.300 0.295 0.000 2.877 43 Y HA -0.412 4.139 4.550 0.001 0.000 0.467 43 Y C 1.978 178.049 175.900 0.285 0.000 1.184 43 Y CA 1.790 60.088 58.100 0.330 0.000 2.567 43 Y CB -1.393 37.200 38.460 0.222 0.000 1.217 43 Y HN 1.001 nan 8.280 nan 0.000 0.629 44 G N 0.228 109.302 108.800 0.455 0.000 3.088 44 G HA2 0.395 4.355 3.960 0.001 0.000 0.212 44 G HA3 0.395 4.355 3.960 0.001 0.000 0.212 44 G C -0.542 174.616 174.900 0.430 0.000 1.173 44 G CA 0.691 46.023 45.100 0.388 0.000 0.779 44 G HN 0.309 nan 8.290 nan 0.000 0.540 45 V N 0.662 120.812 119.914 0.395 0.000 2.547 45 V HA 0.602 4.722 4.120 0.001 0.000 0.299 45 V C -0.683 175.639 176.094 0.381 0.000 1.040 45 V CA -0.990 61.542 62.300 0.386 0.000 0.913 45 V CB 1.957 34.005 31.823 0.374 0.000 0.992 45 V HN 0.094 nan 8.190 nan 0.000 0.449 46 L N 4.874 126.332 121.223 0.393 0.000 2.404 46 L HA 0.546 4.886 4.340 0.001 0.000 0.272 46 L C -1.333 175.699 176.870 0.269 0.000 0.980 46 L CA -0.434 54.593 54.840 0.313 0.000 0.836 46 L CB 1.368 43.630 42.059 0.338 0.000 1.238 46 L HN 0.648 nan 8.230 nan 0.000 0.408 47 Y N 5.523 125.837 120.300 0.024 0.000 2.328 47 Y HA 0.690 5.240 4.550 0.001 0.000 0.337 47 Y C -1.426 174.351 175.900 -0.204 0.000 1.008 47 Y CA -0.698 57.269 58.100 -0.222 0.000 1.129 47 Y CB 1.193 39.455 38.460 -0.331 0.000 1.185 47 Y HN 0.586 nan 8.280 nan 0.000 0.476 48 L N 5.993 126.672 121.223 -0.907 0.000 2.322 48 L HA 0.474 4.814 4.340 0.001 0.000 0.281 48 L C -0.586 175.633 176.870 -1.085 0.000 1.014 48 L CA -0.762 53.589 54.840 -0.816 0.000 0.815 48 L CB 1.768 43.389 42.059 -0.729 0.000 1.247 48 L HN 0.683 nan 8.230 nan 0.000 0.421 49 E N 2.394 122.204 120.200 -0.649 0.000 2.238 49 E HA 0.629 4.979 4.350 0.001 0.000 0.267 49 E C -1.771 174.738 176.600 -0.151 0.000 0.887 49 E CA -0.594 55.543 56.400 -0.438 0.000 0.769 49 E CB 2.287 31.813 29.700 -0.291 0.000 1.187 49 E HN 0.477 nan 8.360 nan 0.000 0.416 50 Y N -0.136 120.004 120.300 -0.267 0.000 2.638 50 Y HA 0.439 4.990 4.550 0.001 0.000 0.335 50 Y C -1.285 174.539 175.900 -0.127 0.000 1.155 50 Y CA -1.379 56.606 58.100 -0.192 0.000 1.046 50 Y CB 1.100 39.445 38.460 -0.191 0.000 1.303 50 Y HN 0.236 nan 8.280 nan 0.000 0.460 51 D N 3.026 123.402 120.400 -0.040 0.000 2.359 51 D HA 0.338 4.979 4.640 0.001 0.000 0.230 51 D C -2.009 174.318 176.300 0.045 0.000 1.118 51 D CA -2.571 51.379 54.000 -0.083 0.000 0.844 51 D CB 1.851 42.595 40.800 -0.093 0.000 1.059 51 D HN 0.362 nan 8.370 nan 0.000 0.493 52 P HA -0.146 nan 4.420 nan 0.000 0.218 52 P C 1.333 178.680 177.300 0.078 0.000 1.148 52 P CA 1.513 64.689 63.100 0.128 0.000 0.822 52 P CB 0.181 31.910 31.700 0.049 0.000 0.784 53 R N 0.215 120.727 120.500 0.021 0.000 2.189 53 R HA 0.002 4.343 4.340 0.001 0.000 0.223 53 R C 2.148 178.449 176.300 0.001 0.000 1.092 53 R CA 1.522 57.625 56.100 0.005 0.000 0.989 53 R CB -1.561 28.729 30.300 -0.017 0.000 0.876 53 R HN 0.264 nan 8.270 nan 0.000 0.457 54 R N -1.964 118.538 120.500 0.002 0.000 2.225 54 R HA 0.314 4.654 4.340 0.001 0.000 0.194 54 R C -0.401 175.901 176.300 0.003 0.000 0.957 54 R CA 0.171 56.264 56.100 -0.011 0.000 1.042 54 R CB 0.487 30.762 30.300 -0.040 0.000 1.004 54 R HN 0.314 nan 8.270 nan 0.000 0.509 55 L N 0.972 122.222 121.223 0.045 0.000 2.482 55 L HA 0.343 4.684 4.340 0.001 0.000 0.269 55 L C -0.616 176.293 176.870 0.064 0.000 0.967 55 L CA -0.648 54.211 54.840 0.031 0.000 0.851 55 L CB 1.820 43.886 42.059 0.012 0.000 1.242 55 L HN 0.062 nan 8.230 nan 0.000 0.404 56 S N 3.853 119.557 115.700 0.007 0.000 2.592 56 S HA 0.352 4.823 4.470 0.001 0.000 0.271 56 S C 1.181 175.718 174.600 -0.105 0.000 1.326 56 S CA -0.153 58.058 58.200 0.018 0.000 1.024 56 S CB 1.186 64.392 63.200 0.009 0.000 0.921 56 S HN 0.844 nan 8.310 nan 0.000 0.527 57 R N 1.743 122.211 120.500 -0.053 0.000 2.091 57 R HA -0.092 4.248 4.340 0.001 0.000 0.238 57 R C 2.258 178.493 176.300 -0.107 0.000 1.136 57 R CA 1.789 57.818 56.100 -0.117 0.000 0.959 57 R CB -1.290 29.063 30.300 0.087 0.000 0.856 57 R HN 0.904 nan 8.270 nan 0.000 0.437 58 G N 0.387 109.149 108.800 -0.063 0.000 2.433 58 G HA2 -0.318 3.642 3.960 0.001 0.000 0.216 58 G HA3 -0.318 3.642 3.960 0.001 0.000 0.216 58 G C 1.512 176.370 174.900 -0.069 0.000 1.186 58 G CA 0.811 45.873 45.100 -0.064 0.000 0.779 58 G HN 0.333 nan 8.290 nan 0.000 0.543 59 R N -0.531 119.930 120.500 -0.065 0.000 2.115 59 R HA 0.035 4.375 4.340 0.001 0.000 0.230 59 R C 2.413 178.669 176.300 -0.073 0.000 1.111 59 R CA 1.002 57.066 56.100 -0.061 0.000 0.976 59 R CB -0.312 29.957 30.300 -0.051 0.000 0.870 59 R HN 0.351 nan 8.270 nan 0.000 0.445 60 L N 0.768 121.927 121.223 -0.108 0.000 2.056 60 L HA -0.072 4.269 4.340 0.001 0.000 0.207 60 L C 1.851 178.698 176.870 -0.040 0.000 1.078 60 L CA 1.601 56.383 54.840 -0.095 0.000 0.749 60 L CB -0.371 41.577 42.059 -0.185 0.000 0.901 60 L HN 0.224 nan 8.230 nan 0.000 0.433 61 L N -0.935 120.247 121.223 -0.068 0.000 2.083 61 L HA -0.189 4.151 4.340 0.001 0.000 0.209 61 L C 2.784 179.621 176.870 -0.056 0.000 1.083 61 L CA 1.080 55.868 54.840 -0.087 0.000 0.752 61 L CB -0.507 41.453 42.059 -0.166 0.000 0.899 61 L HN 0.257 nan 8.230 nan 0.000 0.433 62 R N 0.067 120.535 120.500 -0.053 0.000 2.080 62 R HA -0.168 4.173 4.340 0.001 0.000 0.236 62 R C 2.305 178.588 176.300 -0.027 0.000 1.137 62 R CA 1.342 57.419 56.100 -0.038 0.000 0.943 62 R CB -0.611 29.667 30.300 -0.037 0.000 0.846 62 R HN 0.322 nan 8.270 nan 0.000 0.431 63 L N 0.544 121.750 121.223 -0.029 0.000 2.042 63 L HA -0.238 4.102 4.340 0.001 0.000 0.210 63 L C 2.313 179.178 176.870 -0.009 0.000 1.076 63 L CA 0.956 55.782 54.840 -0.022 0.000 0.749 63 L CB -0.447 41.594 42.059 -0.030 0.000 0.893 63 L HN 0.136 nan 8.230 nan 0.000 0.432 64 L N 0.469 121.694 121.223 0.002 0.000 2.079 64 L HA -0.226 4.114 4.340 0.001 0.000 0.210 64 L C 3.025 179.911 176.870 0.025 0.000 1.081 64 L CA 2.371 57.227 54.840 0.028 0.000 0.752 64 L CB -1.294 40.797 42.059 0.054 0.000 0.896 64 L HN 0.233 nan 8.230 nan 0.000 0.433 65 K N -0.362 120.043 120.400 0.008 0.000 2.103 65 K HA 0.069 4.389 4.320 0.001 0.000 0.204 65 K C 2.151 178.754 176.600 0.005 0.000 1.052 65 K CA 1.175 57.467 56.287 0.008 0.000 0.945 65 K CB -1.600 30.897 32.500 -0.006 0.000 0.722 65 K HN 0.461 nan 8.250 nan 0.000 0.443 66 G N 0.219 109.018 108.800 -0.003 0.000 2.572 66 G HA2 0.192 4.152 3.960 0.001 0.000 0.216 66 G HA3 0.192 4.152 3.960 0.001 0.000 0.216 66 G C 0.713 175.609 174.900 -0.006 0.000 1.133 66 G CA -0.024 45.072 45.100 -0.006 0.000 0.791 66 G HN 0.418 nan 8.290 nan 0.000 0.538 67 L N 1.842 123.063 121.223 -0.003 0.000 2.417 67 L HA 0.269 4.609 4.340 0.001 0.000 0.268 67 L C -1.532 175.333 176.870 -0.008 0.000 1.158 67 L CA -1.779 53.056 54.840 -0.008 0.000 0.819 67 L CB 0.736 42.791 42.059 -0.008 0.000 1.112 67 L HN 0.018 nan 8.230 nan 0.000 0.458 68 P HA 0.064 nan 4.420 nan 0.000 0.271 68 P C -0.802 176.482 177.300 -0.027 0.000 1.218 68 P CA -0.321 62.767 63.100 -0.019 0.000 0.780 68 P CB 0.722 32.409 31.700 -0.023 0.000 0.901 69 Q N -0.482 119.302 119.800 -0.026 0.000 2.320 69 Q HA 0.142 4.483 4.340 0.001 0.000 0.201 69 Q C 0.721 176.687 176.000 -0.056 0.000 0.910 69 Q CA 0.238 56.016 55.803 -0.042 0.000 0.946 69 Q CB 0.412 29.136 28.738 -0.022 0.000 1.062 69 Q HN 0.698 nan 8.270 nan 0.000 0.503 70 E N 1.319 121.491 120.200 -0.046 0.000 2.207 70 E HA 0.416 4.767 4.350 0.001 0.000 0.270 70 E C -0.778 175.792 176.600 -0.050 0.000 0.927 70 E CA -0.778 55.594 56.400 -0.046 0.000 0.799 70 E CB 0.932 30.613 29.700 -0.032 0.000 1.172 70 E HN 0.169 nan 8.360 nan 0.000 0.404 71 R N 0.268 120.735 120.500 -0.054 0.000 2.641 71 R HA 0.443 4.783 4.340 0.001 0.000 0.269 71 R C 1.519 177.795 176.300 -0.040 0.000 1.074 71 R CA 0.461 56.529 56.100 -0.052 0.000 1.133 71 R CB 0.982 31.249 30.300 -0.056 0.000 1.029 71 R HN 0.758 nan 8.270 nan 0.000 0.488 72 A N 1.487 124.284 122.820 -0.038 0.000 1.933 72 A HA -0.061 4.259 4.320 0.001 0.000 0.218 72 A C 0.955 178.523 177.584 -0.026 0.000 1.175 72 A CA 2.253 54.272 52.037 -0.030 0.000 0.628 72 A CB -0.364 18.619 19.000 -0.030 0.000 0.814 72 A HN 0.862 nan 8.150 nan 0.000 0.444 73 E N -1.911 118.273 120.200 -0.028 0.000 2.271 73 E HA 0.502 4.852 4.350 0.001 0.000 0.262 73 E C -1.423 175.161 176.600 -0.026 0.000 1.352 73 E CA -0.221 56.165 56.400 -0.024 0.000 0.906 73 E CB 0.001 29.690 29.700 -0.018 0.000 1.492 73 E HN 0.381 nan 8.360 nan 0.000 0.429 74 E N -0.278 119.909 120.200 -0.022 0.000 2.165 74 E HA 0.554 4.905 4.350 0.001 0.000 0.266 74 E C 0.355 176.946 176.600 -0.015 0.000 0.889 74 E CA -0.426 55.961 56.400 -0.021 0.000 0.756 74 E CB 1.886 31.574 29.700 -0.021 0.000 1.131 74 E HN 0.819 nan 8.360 nan 0.000 0.411 75 G N 1.593 110.385 108.800 -0.013 0.000 2.570 75 G HA2 0.346 4.307 3.960 0.001 0.000 0.276 75 G HA3 0.346 4.307 3.960 0.001 0.000 0.276 75 G C 0.309 175.205 174.900 -0.007 0.000 1.346 75 G CA -0.280 44.815 45.100 -0.008 0.000 1.034 75 G HN 0.594 nan 8.290 nan 0.000 0.512 76 R N -1.665 118.833 120.500 -0.004 0.000 2.738 76 R HA 0.435 4.775 4.340 0.001 0.000 0.268 76 R C 0.406 176.704 176.300 -0.004 0.000 1.062 76 R CA -0.207 55.891 56.100 -0.003 0.000 1.158 76 R CB -0.325 29.974 30.300 -0.001 0.000 1.046 76 R HN 0.696 nan 8.270 nan 0.000 0.493 77 V N 2.001 121.913 119.914 -0.004 0.000 2.599 77 V HA 0.120 4.240 4.120 0.001 0.000 0.300 77 V C 0.431 176.517 176.094 -0.013 0.000 1.034 77 V CA -0.282 62.014 62.300 -0.006 0.000 1.115 77 V CB 1.399 33.221 31.823 -0.001 0.000 0.934 77 V HN 0.610 nan 8.190 nan 0.000 0.485 78 V N 5.702 125.601 119.914 -0.024 0.000 2.408 78 V HA 0.216 4.336 4.120 0.001 0.000 0.267 78 V C 0.379 176.431 176.094 -0.070 0.000 1.047 78 V CA -0.426 61.852 62.300 -0.038 0.000 0.937 78 V CB 0.759 32.559 31.823 -0.037 0.000 0.999 78 V HN 0.884 nan 8.190 nan 0.000 0.472 79 E N 5.398 125.569 120.200 -0.050 0.000 2.146 79 E HA 0.471 4.822 4.350 0.001 0.000 0.282 79 E C -0.827 175.736 176.600 -0.062 0.000 0.989 79 E CA -0.334 56.034 56.400 -0.053 0.000 0.799 79 E CB 1.858 31.554 29.700 -0.007 0.000 1.088 79 E HN 0.562 nan 8.360 nan 0.000 0.397 80 I N 5.940 126.442 120.570 -0.113 0.000 2.354 80 I HA 0.231 4.402 4.170 0.001 0.000 0.286 80 I C -2.139 174.014 176.117 0.061 0.000 1.007 80 I CA -2.417 58.845 61.300 -0.063 0.000 1.167 80 I CB 1.379 39.272 38.000 -0.178 0.000 1.320 80 I HN 0.199 nan 8.210 nan 0.000 0.458 81 P HA 0.189 nan 4.420 nan 0.000 0.275 81 P C -0.845 176.494 177.300 0.066 0.000 1.227 81 P CA -0.122 63.024 63.100 0.076 0.000 0.781 81 P CB 1.659 33.382 31.700 0.038 0.000 0.906 82 V N 3.948 123.886 119.914 0.040 0.000 2.623 82 V HA 0.379 4.500 4.120 0.001 0.000 0.304 82 V C 0.365 176.335 176.094 -0.205 0.000 1.054 82 V CA -0.799 61.419 62.300 -0.136 0.000 0.882 82 V CB 2.177 33.806 31.823 -0.323 0.000 1.002 82 V HN 0.511 nan 8.190 nan 0.000 0.424 83 R N 2.898 123.289 120.500 -0.182 0.000 2.221 83 R HA 0.354 4.694 4.340 0.001 0.000 0.327 83 R C -1.212 174.969 176.300 -0.198 0.000 1.033 83 R CA -0.464 55.575 56.100 -0.101 0.000 0.887 83 R CB 0.503 30.781 30.300 -0.036 0.000 1.057 83 R HN 0.698 nan 8.270 nan 0.000 0.455 84 Y N 3.902 124.213 120.300 0.018 0.000 2.735 84 Y HA 0.049 4.600 4.550 0.001 0.000 0.354 84 Y C 0.396 176.292 175.900 -0.006 0.000 1.288 84 Y CA -0.266 57.830 58.100 -0.006 0.000 1.836 84 Y CB 0.229 38.688 38.460 -0.001 0.000 1.920 84 Y HN 0.602 nan 8.280 nan 0.000 0.438 85 D N -1.054 119.380 120.400 0.058 0.000 2.538 85 D HA 0.139 4.780 4.640 0.001 0.000 0.231 85 D C 0.844 177.158 176.300 0.024 0.000 1.229 85 D CA -0.296 53.729 54.000 0.043 0.000 0.828 85 D CB -0.065 40.749 40.800 0.023 0.000 1.035 85 D HN 0.366 nan 8.370 nan 0.000 0.495 86 G N 0.620 109.436 108.800 0.026 0.000 2.432 86 G HA2 0.007 3.968 3.960 0.001 0.000 0.239 86 G HA3 0.007 3.968 3.960 0.001 0.000 0.239 86 G C 0.656 175.564 174.900 0.013 0.000 1.291 86 G CA -0.395 44.709 45.100 0.008 0.000 0.863 86 G HN 0.209 nan 8.290 nan 0.000 0.560 87 E N 0.705 120.906 120.200 0.002 0.000 2.160 87 E HA -0.155 4.196 4.350 0.001 0.000 0.195 87 E C 0.848 177.455 176.600 0.011 0.000 0.991 87 E CA 1.341 57.744 56.400 0.005 0.000 0.810 87 E CB 0.172 29.870 29.700 -0.004 0.000 0.742 87 E HN 0.538 nan 8.360 nan 0.000 0.466 88 D N 0.127 120.535 120.400 0.014 0.000 2.339 88 D HA -0.041 4.599 4.640 0.001 0.000 0.217 88 D C 1.666 177.977 176.300 0.018 0.000 1.050 88 D CA -0.054 53.956 54.000 0.018 0.000 0.856 88 D CB 0.257 41.071 40.800 0.024 0.000 0.922 88 D HN 0.184 nan 8.370 nan 0.000 0.518 89 L N 1.685 122.921 121.223 0.022 0.000 2.012 89 L HA -0.089 4.251 4.340 0.001 0.000 0.210 89 L C -0.873 176.006 176.870 0.015 0.000 1.073 89 L CA 2.141 56.995 54.840 0.024 0.000 0.748 89 L CB -1.131 40.953 42.059 0.043 0.000 0.891 89 L HN -0.040 nan 8.230 nan 0.000 0.431 90 P HA -0.173 nan 4.420 nan 0.000 0.217 90 P C 1.418 178.722 177.300 0.007 0.000 1.151 90 P CA 1.311 64.417 63.100 0.010 0.000 0.828 90 P CB -0.020 31.686 31.700 0.011 0.000 0.788 91 E N -0.035 120.170 120.200 0.009 0.000 2.077 91 E HA -0.145 4.205 4.350 0.001 0.000 0.193 91 E C 1.753 178.356 176.600 0.004 0.000 0.989 91 E CA 1.272 57.676 56.400 0.007 0.000 0.800 91 E CB -0.323 29.383 29.700 0.011 0.000 0.746 91 E HN -0.051 nan 8.360 nan 0.000 0.452 92 V N 1.186 121.102 119.914 0.004 0.000 2.427 92 V HA -0.228 3.892 4.120 0.001 0.000 0.248 92 V C 2.451 178.543 176.094 -0.003 0.000 1.051 92 V CA 1.648 63.948 62.300 -0.001 0.000 1.048 92 V CB -0.691 31.132 31.823 0.001 0.000 0.666 92 V HN 0.432 nan 8.190 nan 0.000 0.456 93 A N 1.004 123.822 122.820 -0.002 0.000 1.858 93 A HA -0.225 4.095 4.320 0.001 0.000 0.216 93 A C 2.576 180.157 177.584 -0.004 0.000 1.190 93 A CA 2.506 54.541 52.037 -0.005 0.000 0.617 93 A CB -0.928 18.070 19.000 -0.004 0.000 0.827 93 A HN 0.670 nan 8.150 nan 0.000 0.443 94 S N -0.308 115.391 115.700 -0.002 0.000 2.382 94 S HA -0.205 4.266 4.470 0.001 0.000 0.228 94 S C 2.022 176.620 174.600 -0.003 0.000 1.027 94 S CA 1.378 59.577 58.200 -0.002 0.000 0.991 94 S CB -0.439 62.761 63.200 0.001 0.000 0.823 94 S HN 0.591 nan 8.310 nan 0.000 0.469 95 R N 0.801 121.298 120.500 -0.004 0.000 2.115 95 R HA 0.205 4.546 4.340 0.001 0.000 0.230 95 R C 1.755 178.049 176.300 -0.010 0.000 1.111 95 R CA 1.051 57.147 56.100 -0.007 0.000 0.976 95 R CB -0.251 30.043 30.300 -0.009 0.000 0.870 95 R HN 0.461 nan 8.270 nan 0.000 0.445 96 L N -0.575 120.643 121.223 -0.009 0.000 2.607 96 L HA 0.299 4.640 4.340 0.001 0.000 0.228 96 L C 0.749 177.614 176.870 -0.009 0.000 1.123 96 L CA 0.288 55.122 54.840 -0.011 0.000 0.890 96 L CB 0.668 42.721 42.059 -0.010 0.000 1.103 96 L HN 0.493 nan 8.230 nan 0.000 0.468 97 G N 1.294 110.089 108.800 -0.007 0.000 2.246 97 G HA2 -0.263 3.698 3.960 0.001 0.000 0.273 97 G HA3 -0.263 3.698 3.960 0.001 0.000 0.273 97 G C -0.151 174.745 174.900 -0.006 0.000 1.055 97 G CA 0.094 45.191 45.100 -0.006 0.000 0.851 97 G HN 0.249 nan 8.290 nan 0.000 0.500 98 L N 0.275 121.494 121.223 -0.007 0.000 2.319 98 L HA 0.720 5.061 4.340 0.001 0.000 0.267 98 L C 1.180 178.045 176.870 -0.009 0.000 1.011 98 L CA -0.623 54.212 54.840 -0.008 0.000 0.818 98 L CB 1.930 43.984 42.059 -0.009 0.000 1.316 98 L HN 0.380 nan 8.230 nan 0.000 0.432 99 S N 0.479 116.173 115.700 -0.010 0.000 2.614 99 S HA 0.191 4.661 4.470 0.001 0.000 0.265 99 S C 1.005 175.595 174.600 -0.017 0.000 1.303 99 S CA -0.631 57.562 58.200 -0.011 0.000 1.000 99 S CB 0.924 64.118 63.200 -0.010 0.000 0.935 99 S HN 0.458 nan 8.310 nan 0.000 0.551 100 L N 1.226 122.441 121.223 -0.015 0.000 2.012 100 L HA -0.059 4.282 4.340 0.001 0.000 0.210 100 L C 2.747 179.591 176.870 -0.044 0.000 1.073 100 L CA 1.826 56.653 54.840 -0.021 0.000 0.748 100 L CB -1.513 40.541 42.059 -0.007 0.000 0.891 100 L HN 0.736 nan 8.230 nan 0.000 0.431 101 E N -0.685 119.493 120.200 -0.037 0.000 2.153 101 E HA -0.139 4.211 4.350 0.001 0.000 0.194 101 E C 2.262 178.827 176.600 -0.059 0.000 0.988 101 E CA 1.211 57.581 56.400 -0.050 0.000 0.811 101 E CB -0.284 29.400 29.700 -0.027 0.000 0.746 101 E HN 0.475 nan 8.360 nan 0.000 0.466 102 A N 0.879 123.675 122.820 -0.041 0.000 1.898 102 A HA -0.111 4.209 4.320 0.001 0.000 0.216 102 A C 2.605 180.164 177.584 -0.041 0.000 1.181 102 A CA 1.227 53.244 52.037 -0.033 0.000 0.620 102 A CB -0.571 18.418 19.000 -0.019 0.000 0.819 102 A HN 0.133 nan 8.150 nan 0.000 0.442 103 V N 0.432 120.316 119.914 -0.050 0.000 2.295 103 V HA -0.291 3.830 4.120 0.001 0.000 0.246 103 V C 2.465 178.493 176.094 -0.109 0.000 1.049 103 V CA 2.358 64.628 62.300 -0.050 0.000 1.024 103 V CB -0.691 31.106 31.823 -0.043 0.000 0.648 103 V HN 0.540 nan 8.190 nan 0.000 0.447 104 K N 0.290 120.548 120.400 -0.236 0.000 2.026 104 K HA -0.152 4.168 4.320 0.001 0.000 0.208 104 K C 2.340 178.770 176.600 -0.283 0.000 1.048 104 K CA 1.566 57.533 56.287 -0.533 0.000 0.929 104 K CB -0.472 31.679 32.500 -0.582 0.000 0.713 104 K HN 0.472 nan 8.250 nan 0.000 0.439 105 A N 1.620 124.360 122.820 -0.133 0.000 1.877 105 A HA -0.135 4.185 4.320 0.001 0.000 0.216 105 A C 2.187 179.773 177.584 0.004 0.000 1.186 105 A CA 1.264 53.276 52.037 -0.043 0.000 0.620 105 A CB -0.683 18.301 19.000 -0.027 0.000 0.822 105 A HN 0.160 nan 8.150 nan 0.000 0.443 106 L N -1.387 119.841 121.223 0.008 0.000 2.083 106 L HA -0.210 4.130 4.340 0.001 0.000 0.209 106 L C 2.711 179.641 176.870 0.100 0.000 1.083 106 L CA 1.604 56.468 54.840 0.040 0.000 0.752 106 L CB -0.589 41.490 42.059 0.035 0.000 0.899 106 L HN 0.621 nan 8.230 nan 0.000 0.433 107 H N 0.244 119.340 119.070 0.043 0.000 2.389 107 H HA -0.131 4.425 4.556 0.001 0.000 0.299 107 H C 1.936 177.445 175.328 0.302 0.000 1.081 107 H CA 1.443 57.579 56.048 0.146 0.000 1.345 107 H CB 0.354 30.163 29.762 0.079 0.000 1.393 107 H HN 0.467 nan 8.280 nan 0.000 0.520 108 Q N 0.292 120.216 119.800 0.206 0.000 2.378 108 Q HA -0.063 4.278 4.340 0.001 0.000 0.205 108 Q C 2.236 178.332 176.000 0.161 0.000 0.954 108 Q CA 0.419 56.375 55.803 0.256 0.000 0.901 108 Q CB 0.326 29.198 28.738 0.223 0.000 0.981 108 Q HN 0.339 nan 8.270 nan 0.000 0.483 109 K N 0.802 121.246 120.400 0.074 0.000 2.026 109 K HA -0.056 4.265 4.320 0.001 0.000 0.208 109 K C -1.455 175.107 176.600 -0.063 0.000 1.048 109 K CA 0.599 56.892 56.287 0.009 0.000 0.929 109 K CB -0.528 31.967 32.500 -0.008 0.000 0.713 109 K HN 0.111 nan 8.250 nan 0.000 0.439 110 P HA 0.015 nan 4.420 nan 0.000 0.274 110 P C -1.239 175.863 177.300 -0.330 0.000 1.237 110 P CA -0.307 62.555 63.100 -0.398 0.000 0.793 110 P CB 0.564 31.738 31.700 -0.877 0.000 0.977 111 L N 3.088 124.181 121.223 -0.217 0.000 2.282 111 L HA 0.306 4.646 4.340 0.001 0.000 0.287 111 L C -0.995 175.825 176.870 -0.084 0.000 1.075 111 L CA -0.530 54.258 54.840 -0.087 0.000 0.839 111 L CB -1.257 40.784 42.059 -0.029 0.000 1.219 111 L HN 0.192 nan 8.230 nan 0.000 0.434 112 Y N 4.002 124.358 120.300 0.093 0.000 2.314 112 Y HA 0.432 4.982 4.550 0.001 0.000 0.334 112 Y C 0.741 176.703 175.900 0.104 0.000 1.266 112 Y CA -0.111 58.076 58.100 0.145 0.000 1.391 112 Y CB 0.670 39.259 38.460 0.216 0.000 1.306 112 Y HN 0.524 nan 8.280 nan 0.000 0.558 113 R N 0.525 121.215 120.500 0.317 0.000 2.711 113 R HA 0.613 4.953 4.340 0.001 0.000 0.284 113 R C -1.819 174.561 176.300 0.134 0.000 0.968 113 R CA -0.820 55.337 56.100 0.095 0.000 0.924 113 R CB 1.292 31.495 30.300 -0.162 0.000 1.162 113 R HN 0.544 nan 8.270 nan 0.000 0.465 114 V N 5.870 125.798 119.914 0.025 0.000 2.370 114 V HA 0.061 4.181 4.120 0.001 0.000 0.257 114 V C 0.100 176.157 176.094 -0.061 0.000 1.064 114 V CA 0.213 62.550 62.300 0.061 0.000 0.975 114 V CB 0.329 32.172 31.823 0.034 0.000 1.067 114 V HN 0.826 nan 8.190 nan 0.000 0.485 115 Y N 3.133 123.448 120.300 0.025 0.000 2.448 115 Y HA 0.459 5.009 4.550 0.001 0.000 0.289 115 Y C 1.220 176.924 175.900 -0.326 0.000 1.114 115 Y CA 0.849 58.874 58.100 -0.125 0.000 1.235 115 Y CB 0.447 38.838 38.460 -0.115 0.000 1.045 115 Y HN 0.666 nan 8.280 nan 0.000 0.554 116 A N -0.170 122.591 122.820 -0.098 0.000 2.594 116 A HA 0.657 4.977 4.320 0.001 0.000 0.295 116 A C -2.279 175.213 177.584 -0.153 0.000 1.071 116 A CA -0.571 51.370 52.037 -0.160 0.000 0.685 116 A CB 1.378 20.253 19.000 -0.208 0.000 1.285 116 A HN 0.008 nan 8.150 nan 0.000 0.405 117 L N 1.041 122.156 121.223 -0.180 0.000 2.476 117 L HA 0.744 5.085 4.340 0.001 0.000 0.269 117 L C 0.472 177.210 176.870 -0.220 0.000 0.965 117 L CA 1.314 56.043 54.840 -0.184 0.000 0.845 117 L CB 1.948 43.940 42.059 -0.112 0.000 1.259 117 L HN 2.067 nan 8.230 nan 0.000 0.403 118 G N 3.256 111.912 108.800 -0.239 0.000 2.145 118 G HA2 -0.291 3.669 3.960 0.001 0.000 0.145 118 G HA3 -0.291 3.669 3.960 0.001 0.000 0.145 118 G C 0.513 175.283 174.900 -0.216 0.000 1.017 118 G CA 0.225 45.206 45.100 -0.198 0.000 0.682 118 G HN 0.668 nan 8.290 nan 0.000 0.504 119 F N 2.193 121.828 119.950 -0.526 0.000 2.120 119 F HA 0.060 4.588 4.527 0.001 0.000 0.300 119 F C 1.847 177.497 175.800 -0.249 0.000 1.095 119 F CA 2.589 60.293 58.000 -0.493 0.000 1.249 119 F CB 0.184 38.651 39.000 -0.888 0.000 0.995 119 F HN 0.415 nan 8.300 nan 0.000 0.480 120 T N -2.330 112.210 114.554 -0.024 0.000 2.932 120 T HA 0.466 4.816 4.350 0.001 0.000 0.289 120 T C -2.812 171.863 174.700 -0.042 0.000 1.039 120 T CA -2.554 59.533 62.100 -0.020 0.000 1.024 120 T CB 1.633 70.580 68.868 0.131 0.000 1.090 120 T HN -0.298 nan 8.240 nan 0.000 0.496 121 P HA 0.228 nan 4.420 nan 0.000 0.260 121 P C 1.132 178.305 177.300 -0.211 0.000 1.185 121 P CA 1.516 64.460 63.100 -0.261 0.000 0.763 121 P CB -0.017 31.349 31.700 -0.557 0.000 0.776 122 G N 2.961 111.796 108.800 0.057 0.000 2.179 122 G HA2 -0.294 3.666 3.960 0.001 0.000 0.260 122 G HA3 -0.294 3.666 3.960 0.001 0.000 0.260 122 G C 0.042 175.033 174.900 0.152 0.000 0.977 122 G CA -0.569 44.679 45.100 0.246 0.000 0.641 122 G HN 0.500 nan 8.290 nan 0.000 0.533 123 F N 4.376 124.266 119.950 -0.100 0.000 2.494 123 F HA 0.492 5.019 4.527 0.001 0.000 0.369 123 F C -1.581 174.068 175.800 -0.251 0.000 1.098 123 F CA -2.779 55.120 58.000 -0.168 0.000 1.154 123 F CB 0.863 39.713 39.000 -0.251 0.000 1.103 123 F HN 0.033 nan 8.300 nan 0.000 0.549 124 P HA 0.199 nan 4.420 nan 0.000 0.294 124 P C -1.200 176.323 177.300 0.372 0.000 1.294 124 P CA -0.323 62.895 63.100 0.195 0.000 0.827 124 P CB 0.889 32.704 31.700 0.193 0.000 0.992 125 F N 3.126 123.195 119.950 0.199 0.000 2.385 125 F HA 0.415 4.942 4.527 0.001 0.000 0.360 125 F C 0.478 176.453 175.800 0.291 0.000 1.122 125 F CA -0.788 57.362 58.000 0.250 0.000 1.090 125 F CB 0.449 39.557 39.000 0.179 0.000 1.150 125 F HN 0.071 nan 8.300 nan 0.000 0.472 126 L N 2.882 124.428 121.223 0.538 0.000 2.333 126 L HA 0.946 5.287 4.340 0.001 0.000 0.269 126 L C -0.167 177.001 176.870 0.496 0.000 1.010 126 L CA -0.674 54.455 54.840 0.482 0.000 0.818 126 L CB 1.944 44.215 42.059 0.354 0.000 1.306 126 L HN 0.675 nan 8.230 nan 0.000 0.430 127 A N 1.098 124.285 122.820 0.611 0.000 2.587 127 A HA 0.780 5.101 4.320 0.001 0.000 0.293 127 A C -1.429 176.459 177.584 0.507 0.000 1.087 127 A CA -0.613 51.708 52.037 0.472 0.000 0.692 127 A CB 1.545 20.621 19.000 0.127 0.000 1.291 127 A HN 0.659 nan 8.150 nan 0.000 0.407 128 E N 0.463 120.815 120.200 0.253 0.000 2.171 128 E HA 0.483 4.834 4.350 0.001 0.000 0.271 128 E C -0.895 175.789 176.600 0.140 0.000 0.916 128 E CA -0.844 55.653 56.400 0.161 0.000 0.774 128 E CB 2.238 31.973 29.700 0.058 0.000 1.128 128 E HN 0.412 nan 8.360 nan 0.000 0.403 129 V N 3.487 123.531 119.914 0.217 0.000 2.740 129 V HA -0.050 4.070 4.120 0.001 0.000 0.303 129 V C 0.683 176.815 176.094 0.064 0.000 1.054 129 V CA -0.032 62.387 62.300 0.198 0.000 1.106 129 V CB 0.588 32.501 31.823 0.151 0.000 0.957 129 V HN 0.622 nan 8.190 nan 0.000 0.486 130 E N 5.780 126.007 120.200 0.044 0.000 2.413 130 E HA 0.029 4.379 4.350 0.001 0.000 0.263 130 E C -1.510 175.095 176.600 0.009 0.000 1.015 130 E CA -1.477 54.928 56.400 0.009 0.000 0.916 130 E CB 0.540 30.245 29.700 0.008 0.000 0.947 130 E HN 0.411 nan 8.360 nan 0.000 0.440 131 P HA -0.228 nan 4.420 nan 0.000 0.216 131 P C 0.948 178.243 177.300 -0.009 0.000 1.154 131 P CA 2.158 65.252 63.100 -0.010 0.000 0.865 131 P CB 0.174 31.866 31.700 -0.012 0.000 0.789 132 A N -1.546 121.272 122.820 -0.004 0.000 2.121 132 A HA -0.092 4.228 4.320 0.001 0.000 0.218 132 A C 1.890 179.473 177.584 -0.000 0.000 1.154 132 A CA 1.010 53.044 52.037 -0.004 0.000 0.679 132 A CB -1.179 17.819 19.000 -0.002 0.000 0.795 132 A HN 0.186 nan 8.150 nan 0.000 0.458 133 L N -0.635 120.594 121.223 0.010 0.000 2.640 133 L HA 0.279 4.619 4.340 0.001 0.000 0.230 133 L C 0.578 177.449 176.870 0.001 0.000 1.123 133 L CA 0.004 54.856 54.840 0.019 0.000 0.900 133 L CB -0.229 41.865 42.059 0.059 0.000 1.146 133 L HN 0.184 nan 8.230 nan 0.000 0.484 134 R N 0.817 121.307 120.500 -0.016 0.000 2.296 134 R HA 0.454 4.795 4.340 0.001 0.000 0.323 134 R C -1.071 175.194 176.300 -0.058 0.000 1.067 134 R CA -0.225 55.847 56.100 -0.046 0.000 0.946 134 R CB 0.584 30.855 30.300 -0.048 0.000 0.991 134 R HN 0.108 nan 8.270 nan 0.000 0.448 135 L N 4.933 126.107 121.223 -0.083 0.000 2.445 135 L HA 0.561 4.901 4.340 0.001 0.000 0.262 135 L C -2.712 174.084 176.870 -0.124 0.000 0.974 135 L CA -2.236 52.555 54.840 -0.082 0.000 0.822 135 L CB 2.301 44.325 42.059 -0.059 0.000 1.339 135 L HN 0.346 nan 8.230 nan 0.000 0.409 136 P HA 0.238 nan 4.420 nan 0.000 0.271 136 P C -1.062 176.153 177.300 -0.143 0.000 1.233 136 P CA -0.403 62.614 63.100 -0.139 0.000 0.789 136 P CB 0.297 31.938 31.700 -0.098 0.000 0.951 137 R N 1.129 121.527 120.500 -0.171 0.000 2.861 137 R HA 0.107 4.448 4.340 0.001 0.000 0.268 137 R C -0.165 176.119 176.300 -0.027 0.000 1.027 137 R CA -0.028 56.020 56.100 -0.087 0.000 1.163 137 R CB -0.049 30.244 30.300 -0.013 0.000 1.060 137 R HN 0.338 nan 8.270 nan 0.000 0.483 138 K N 1.573 121.989 120.400 0.027 0.000 2.414 138 K HA 0.022 4.343 4.320 0.001 0.000 0.272 138 K C -1.602 174.969 176.600 -0.047 0.000 0.993 138 K CA -1.172 55.119 56.287 0.007 0.000 0.964 138 K CB 0.467 32.999 32.500 0.053 0.000 0.925 138 K HN 0.486 nan 8.250 nan 0.000 0.487 139 P HA -0.150 nan 4.420 nan 0.000 0.216 139 P C -0.241 176.753 177.300 -0.510 0.000 1.154 139 P CA 1.610 64.493 63.100 -0.361 0.000 0.865 139 P CB 0.162 31.570 31.700 -0.486 0.000 0.789 140 H N -1.845 117.256 119.070 0.052 0.000 2.589 140 H HA 0.311 4.868 4.556 0.001 0.000 0.351 140 H C -2.261 173.110 175.328 0.071 0.000 1.074 140 H CA -2.452 53.631 56.048 0.059 0.000 1.203 140 H CB 1.002 30.792 29.762 0.046 0.000 1.558 140 H HN 0.048 nan 8.280 nan 0.000 0.522 141 P HA 0.201 nan 4.420 nan 0.000 0.274 141 P C -0.059 177.317 177.300 0.127 0.000 1.231 141 P CA -0.532 62.661 63.100 0.155 0.000 0.790 141 P CB 1.533 33.329 31.700 0.160 0.000 0.951 142 R N 2.611 123.168 120.500 0.096 0.000 2.543 142 R HA 0.141 4.481 4.340 0.001 0.000 0.277 142 R C -1.181 175.156 176.300 0.063 0.000 1.074 142 R CA -1.242 54.894 56.100 0.059 0.000 1.076 142 R CB 0.126 30.436 30.300 0.017 0.000 0.993 142 R HN 0.432 nan 8.270 nan 0.000 0.459 143 P HA -0.100 nan 4.420 nan 0.000 0.221 143 P C -0.165 177.162 177.300 0.045 0.000 1.150 143 P CA 1.133 64.266 63.100 0.055 0.000 0.800 143 P CB 0.450 32.176 31.700 0.043 0.000 0.787 144 R N 0.093 120.604 120.500 0.019 0.000 2.518 144 R HA 0.420 4.760 4.340 0.001 0.000 0.296 144 R C -1.561 174.705 176.300 -0.056 0.000 1.080 144 R CA -0.510 55.589 56.100 -0.002 0.000 0.922 144 R CB 1.739 32.038 30.300 -0.001 0.000 1.184 144 R HN -0.241 nan 8.270 nan 0.000 0.445 145 V N 6.450 126.293 119.914 -0.117 0.000 2.439 145 V HA 0.382 4.502 4.120 0.001 0.000 0.282 145 V C -1.780 174.188 176.094 -0.211 0.000 1.039 145 V CA -1.765 60.370 62.300 -0.274 0.000 0.913 145 V CB 1.433 32.820 31.823 -0.728 0.000 0.983 145 V HN 0.712 nan 8.190 nan 0.000 0.460 146 P HA 0.172 nan 4.420 nan 0.000 0.272 146 P C -0.337 176.878 177.300 -0.141 0.000 1.223 146 P CA -0.174 62.855 63.100 -0.118 0.000 0.784 146 P CB 0.642 32.294 31.700 -0.080 0.000 0.923 147 A N 2.771 125.488 122.820 -0.172 0.000 2.531 147 A HA 0.033 4.353 4.320 0.001 0.000 0.236 147 A C 0.720 178.075 177.584 -0.382 0.000 1.062 147 A CA 0.387 52.200 52.037 -0.373 0.000 0.760 147 A CB -0.978 17.685 19.000 -0.563 0.000 0.995 147 A HN 0.845 nan 8.150 nan 0.000 0.501 148 H N -1.479 117.596 119.070 0.008 0.000 3.237 148 H HA -0.195 4.361 4.556 0.001 0.000 0.231 148 H C 0.606 175.934 175.328 -0.002 0.000 1.148 148 H CA 0.741 56.790 56.048 0.002 0.000 1.155 148 H CB -2.253 27.507 29.762 -0.003 0.000 1.210 148 H HN 1.338 nan 8.280 nan 0.000 0.317 149 A N 1.401 124.253 122.820 0.053 0.000 2.488 149 A HA 0.447 4.767 4.320 0.001 0.000 0.249 149 A C 0.772 178.421 177.584 0.110 0.000 1.083 149 A CA 0.199 52.253 52.037 0.028 0.000 0.768 149 A CB 0.581 19.517 19.000 -0.106 0.000 1.017 149 A HN 0.146 nan 8.150 nan 0.000 0.496 150 V N 2.377 122.314 119.914 0.038 0.000 2.370 150 V HA 0.649 4.769 4.120 0.001 0.000 0.283 150 V C 0.534 176.634 176.094 0.011 0.000 1.023 150 V CA 0.336 62.640 62.300 0.007 0.000 0.857 150 V CB 0.797 32.527 31.823 -0.155 0.000 0.985 150 V HN 1.242 nan 8.190 nan 0.000 0.443 151 A N 4.669 127.589 122.820 0.166 0.000 2.515 151 A HA 0.991 5.311 4.320 0.001 0.000 0.296 151 A C -0.802 176.971 177.584 0.315 0.000 1.094 151 A CA -0.575 51.635 52.037 0.288 0.000 0.718 151 A CB 2.337 21.687 19.000 0.584 0.000 1.307 151 A HN 1.397 nan 8.150 nan 0.000 0.408 152 V N -2.626 117.401 119.914 0.187 0.000 2.876 152 V HA 1.003 5.124 4.120 0.001 0.000 0.312 152 V C -0.306 175.606 176.094 -0.304 0.000 1.085 152 V CA -0.351 61.942 62.300 -0.010 0.000 0.945 152 V CB 1.298 33.125 31.823 0.007 0.000 1.017 152 V HN 2.346 nan 8.190 nan 0.000 0.428 153 A N 2.075 124.474 122.820 -0.701 0.000 2.485 153 A HA 0.879 5.200 4.320 0.001 0.000 0.285 153 A C 0.472 177.684 177.584 -0.619 0.000 1.045 153 A CA 0.358 51.898 52.037 -0.829 0.000 0.792 153 A CB 0.809 18.830 19.000 -1.631 0.000 1.307 153 A HN 2.812 nan 8.150 nan 0.000 0.406 154 G N 0.624 109.212 108.800 -0.353 0.000 2.611 154 G HA2 -0.118 3.842 3.960 0.001 0.000 0.301 154 G HA3 -0.118 3.842 3.960 0.001 0.000 0.301 154 G C 1.278 176.069 174.900 -0.183 0.000 1.233 154 G CA 0.978 45.933 45.100 -0.241 0.000 0.993 154 G HN 2.013 nan 8.290 nan 0.000 0.553 155 V N 2.242 122.062 119.914 -0.157 0.000 3.510 155 V HA 0.235 4.355 4.120 0.001 0.000 0.270 155 V C 1.178 177.251 176.094 -0.034 0.000 1.201 155 V CA 2.408 64.662 62.300 -0.078 0.000 1.166 155 V CB -0.492 31.285 31.823 -0.076 0.000 0.825 155 V HN 0.525 nan 8.190 nan 0.000 0.484 156 Q N -0.177 119.539 119.800 -0.140 0.000 2.266 156 Q HA 0.464 4.805 4.340 0.001 0.000 0.261 156 Q C -0.464 175.505 176.000 -0.051 0.000 0.985 156 Q CA -0.216 55.549 55.803 -0.063 0.000 0.873 156 Q CB 2.124 30.776 28.738 -0.143 0.000 1.306 156 Q HN 0.284 nan 8.270 nan 0.000 0.447 157 T N -0.212 114.454 114.554 0.187 0.000 2.916 157 T HA 0.829 5.179 4.350 0.001 0.000 0.292 157 T C -0.852 174.179 174.700 0.552 0.000 1.055 157 T CA -0.412 61.855 62.100 0.277 0.000 1.009 157 T CB 1.569 70.465 68.868 0.048 0.000 1.118 157 T HN 0.754 nan 8.240 nan 0.000 0.497 158 G N 1.498 110.667 108.800 0.615 0.000 2.684 158 G HA2 0.688 4.649 3.960 0.001 0.000 0.290 158 G HA3 0.688 4.649 3.960 0.001 0.000 0.290 158 G C -1.817 173.256 174.900 0.288 0.000 1.425 158 G CA -0.690 44.762 45.100 0.587 0.000 0.822 158 G HN 0.821 nan 8.290 nan 0.000 0.482 159 I N 0.503 121.079 120.570 0.009 0.000 2.468 159 I HA 0.245 4.415 4.170 0.001 0.000 0.285 159 I C -1.137 174.497 176.117 -0.804 0.000 1.039 159 I CA -0.718 60.489 61.300 -0.155 0.000 1.074 159 I CB 2.042 40.074 38.000 0.053 0.000 1.228 159 I HN 0.416 nan 8.210 nan 0.000 0.436 160 Y N 7.458 127.326 120.300 -0.720 0.000 2.531 160 Y HA 0.152 4.703 4.550 0.001 0.000 0.347 160 Y C -1.543 174.107 175.900 -0.416 0.000 1.024 160 Y CA -1.383 56.236 58.100 -0.801 0.000 1.306 160 Y CB 0.490 38.734 38.460 -0.360 0.000 1.149 160 Y HN 0.458 nan 8.280 nan 0.000 0.527 161 P HA -0.021 nan 4.420 nan 0.000 0.224 161 P C -0.438 176.821 177.300 -0.068 0.000 1.157 161 P CA 1.184 64.264 63.100 -0.035 0.000 0.799 161 P CB 0.737 32.484 31.700 0.077 0.000 0.809 162 L N -2.284 118.920 121.223 -0.030 0.000 2.409 162 L HA 0.489 4.830 4.340 0.001 0.000 0.255 162 L C -2.710 174.168 176.870 0.013 0.000 1.027 162 L CA -2.999 51.825 54.840 -0.026 0.000 0.834 162 L CB 2.237 44.336 42.059 0.067 0.000 1.426 162 L HN -0.427 nan 8.230 nan 0.000 0.411 163 P HA 0.120 nan 4.420 nan 0.000 0.265 163 P C -1.089 176.266 177.300 0.092 0.000 1.193 163 P CA 0.022 63.134 63.100 0.019 0.000 0.765 163 P CB 0.805 32.504 31.700 -0.002 0.000 0.823 164 S N 2.254 118.039 115.700 0.143 0.000 2.615 164 S HA 0.724 5.195 4.470 0.001 0.000 0.269 164 S C -3.246 171.468 174.600 0.190 0.000 1.161 164 S CA -1.888 56.432 58.200 0.199 0.000 0.817 164 S CB 1.122 64.511 63.200 0.315 0.000 1.131 164 S HN 0.047 nan 8.310 nan 0.000 0.467 165 P HA 0.618 nan 4.420 nan 0.000 0.274 165 P C -0.070 177.386 177.300 0.259 0.000 1.231 165 P CA 0.168 63.373 63.100 0.175 0.000 0.790 165 P CB 0.676 32.472 31.700 0.160 0.000 0.951 166 G N -0.357 108.561 108.800 0.196 0.000 2.442 166 G HA2 0.465 4.425 3.960 0.001 0.000 0.296 166 G HA3 0.465 4.425 3.960 0.001 0.000 0.296 166 G C -0.432 174.587 174.900 0.199 0.000 1.564 166 G CA -0.297 44.953 45.100 0.250 0.000 0.828 166 G HN 0.537 nan 8.290 nan 0.000 0.571 167 G N -0.744 108.220 108.800 0.274 0.000 3.735 167 G HA2 0.393 4.354 3.960 0.001 0.000 0.283 167 G HA3 0.393 4.354 3.960 0.001 0.000 0.283 167 G C -0.076 175.061 174.900 0.395 0.000 1.007 167 G CA -0.433 44.827 45.100 0.267 0.000 0.821 167 G HN 0.371 nan 8.290 nan 0.000 0.505 168 W N 1.433 122.820 121.300 0.145 0.000 2.126 168 W HA 0.343 5.003 4.660 0.001 0.000 0.346 168 W C 0.289 176.858 176.519 0.084 0.000 1.279 168 W CA -1.250 56.172 57.345 0.129 0.000 1.259 168 W CB 0.276 29.878 29.460 0.237 0.000 1.133 168 W HN -0.039 nan 8.180 nan 0.000 0.592 169 N N 3.019 121.856 118.700 0.229 0.000 2.411 169 N HA 0.153 4.894 4.740 0.001 0.000 0.259 169 N C -0.692 174.887 175.510 0.115 0.000 1.103 169 N CA -0.210 52.908 53.050 0.114 0.000 0.954 169 N CB 0.624 39.133 38.487 0.036 0.000 1.085 169 N HN 0.138 nan 8.380 nan 0.000 0.485 170 L N 3.492 124.760 121.223 0.076 0.000 2.325 170 L HA 0.208 4.549 4.340 0.001 0.000 0.284 170 L C 1.510 178.388 176.870 0.013 0.000 1.089 170 L CA -0.201 54.663 54.840 0.040 0.000 0.836 170 L CB 0.571 42.627 42.059 -0.006 0.000 1.184 170 L HN 0.419 nan 8.230 nan 0.000 0.444 171 L N 2.737 123.951 121.223 -0.014 0.000 2.408 171 L HA 0.378 4.718 4.340 0.001 0.000 0.215 171 L C 1.056 177.928 176.870 0.003 0.000 1.081 171 L CA 0.276 55.114 54.840 -0.003 0.000 0.840 171 L CB 0.154 42.175 42.059 -0.064 0.000 1.002 171 L HN 0.777 nan 8.230 nan 0.000 0.468 172 G N -0.897 107.837 108.800 -0.109 0.000 2.561 172 G HA2 0.429 4.389 3.960 0.001 0.000 0.310 172 G HA3 0.429 4.389 3.960 0.001 0.000 0.310 172 G C -1.441 173.378 174.900 -0.135 0.000 1.292 172 G CA -0.266 44.724 45.100 -0.183 0.000 0.811 172 G HN -0.224 nan 8.290 nan 0.000 0.482 173 T N 0.523 114.993 114.554 -0.141 0.000 2.840 173 T HA 0.568 4.918 4.350 0.001 0.000 0.287 173 T C 0.004 174.674 174.700 -0.050 0.000 0.991 173 T CA -0.247 61.824 62.100 -0.048 0.000 0.964 173 T CB 1.426 70.283 68.868 -0.018 0.000 0.954 173 T HN 0.699 nan 8.240 nan 0.000 0.438 174 S N 2.526 118.238 115.700 0.020 0.000 2.533 174 S HA 0.228 4.698 4.470 0.001 0.000 0.282 174 S C 0.974 175.541 174.600 -0.054 0.000 1.304 174 S CA -0.603 57.611 58.200 0.023 0.000 1.063 174 S CB -0.033 63.222 63.200 0.091 0.000 0.881 174 S HN 0.628 nan 8.310 nan 0.000 0.493 175 L N 5.033 126.224 121.223 -0.053 0.000 2.653 175 L HA 0.382 4.723 4.340 0.001 0.000 0.231 175 L C 0.122 176.931 176.870 -0.103 0.000 1.153 175 L CA -0.168 54.623 54.840 -0.082 0.000 0.933 175 L CB 0.380 42.415 42.059 -0.041 0.000 1.175 175 L HN 0.418 nan 8.230 nan 0.000 0.473 176 V N -0.047 119.801 119.914 -0.111 0.000 2.841 176 V HA 0.713 4.834 4.120 0.001 0.000 0.310 176 V C -0.542 175.465 176.094 -0.145 0.000 1.090 176 V CA -0.632 61.604 62.300 -0.107 0.000 0.930 176 V CB 2.071 33.870 31.823 -0.041 0.000 1.014 176 V HN 0.062 nan 8.190 nan 0.000 0.425 177 A N 4.865 127.592 122.820 -0.154 0.000 2.354 177 A HA 0.494 4.815 4.320 0.001 0.000 0.281 177 A C 0.987 178.608 177.584 0.061 0.000 1.174 177 A CA 0.271 52.279 52.037 -0.049 0.000 0.828 177 A CB 0.872 19.872 19.000 -0.000 0.000 1.099 177 A HN 1.915 nan 8.150 nan 0.000 0.516 178 V N 0.855 120.855 119.914 0.142 0.000 3.041 178 V HA 0.102 4.223 4.120 0.001 0.000 0.260 178 V C 0.371 176.582 176.094 0.194 0.000 1.105 178 V CA 1.046 63.432 62.300 0.143 0.000 1.125 178 V CB -1.223 30.684 31.823 0.141 0.000 0.730 178 V HN 0.808 nan 8.190 nan 0.000 0.479 179 Y N 1.002 121.306 120.300 0.007 0.000 2.361 179 Y HA 0.682 5.232 4.550 0.001 0.000 0.328 179 Y C -1.676 174.161 175.900 -0.106 0.000 1.044 179 Y CA -2.050 55.974 58.100 -0.126 0.000 1.085 179 Y CB 1.734 40.137 38.460 -0.095 0.000 1.194 179 Y HN 0.239 nan 8.280 nan 0.000 0.438 180 D N 8.671 128.683 120.400 -0.648 0.000 2.375 180 D HA 0.347 4.987 4.640 0.001 0.000 0.241 180 D C -2.498 173.444 176.300 -0.595 0.000 1.361 180 D CA -2.022 51.642 54.000 -0.561 0.000 0.995 180 D CB 2.426 43.106 40.800 -0.201 0.000 1.312 180 D HN 0.305 nan 8.370 nan 0.000 0.576 181 P HA -0.033 nan 4.420 nan 0.000 0.237 181 P C 0.615 177.653 177.300 -0.436 0.000 1.178 181 P CA 0.539 63.278 63.100 -0.602 0.000 0.766 181 P CB 0.155 31.327 31.700 -0.880 0.000 0.876 182 H N -0.337 118.611 119.070 -0.203 0.000 2.539 182 H HA 0.149 4.705 4.556 0.001 0.000 0.269 182 H C 1.179 176.468 175.328 -0.065 0.000 0.980 182 H CA 0.095 56.078 56.048 -0.108 0.000 1.152 182 H CB 0.507 30.204 29.762 -0.107 0.000 1.407 182 H HN 0.314 nan 8.280 nan 0.000 0.564 183 R N 0.649 121.154 120.500 0.009 0.000 2.828 183 R HA 0.223 4.564 4.340 0.001 0.000 0.264 183 R C 0.820 177.129 176.300 0.016 0.000 1.022 183 R CA -0.626 55.480 56.100 0.010 0.000 1.021 183 R CB 1.565 31.858 30.300 -0.012 0.000 1.163 183 R HN -0.029 nan 8.270 nan 0.000 0.494 184 E N 0.753 120.965 120.200 0.020 0.000 2.097 184 E HA -0.111 4.239 4.350 0.001 0.000 0.196 184 E C -0.386 176.231 176.600 0.029 0.000 1.000 184 E CA 1.466 57.881 56.400 0.025 0.000 0.804 184 E CB 0.154 29.866 29.700 0.020 0.000 0.740 184 E HN 0.650 nan 8.360 nan 0.000 0.454 185 T N 2.761 117.332 114.554 0.028 0.000 3.042 185 T HA 0.179 4.529 4.350 0.001 0.000 0.356 185 T C -2.093 172.627 174.700 0.033 0.000 1.233 185 T CA -1.416 60.713 62.100 0.049 0.000 1.038 185 T CB 1.612 70.513 68.868 0.055 0.000 1.089 185 T HN 0.143 nan 8.240 nan 0.000 0.531 186 P HA -0.031 nan 4.420 nan 0.000 0.218 186 P C 0.001 177.150 177.300 -0.253 0.000 1.149 186 P CA 0.795 63.794 63.100 -0.168 0.000 0.817 186 P CB 0.056 31.654 31.700 -0.171 0.000 0.785 187 F N -0.469 119.577 119.950 0.161 0.000 2.388 187 F HA 0.223 4.750 4.527 0.001 0.000 0.358 187 F C 1.592 177.444 175.800 0.087 0.000 1.122 187 F CA -0.807 57.285 58.000 0.152 0.000 1.056 187 F CB 0.976 40.038 39.000 0.103 0.000 1.155 187 F HN -0.290 nan 8.300 nan 0.000 0.461 188 L N 3.638 124.988 121.223 0.212 0.000 2.141 188 L HA 0.071 4.412 4.340 0.001 0.000 0.209 188 L C 0.112 177.055 176.870 0.121 0.000 1.094 188 L CA 1.816 56.733 54.840 0.128 0.000 0.763 188 L CB -0.121 41.991 42.059 0.089 0.000 0.908 188 L HN 0.403 nan 8.230 nan 0.000 0.437 189 L N -0.385 120.930 121.223 0.153 0.000 2.330 189 L HA 0.478 4.819 4.340 0.001 0.000 0.271 189 L C -0.211 176.710 176.870 0.085 0.000 1.013 189 L CA -0.755 54.143 54.840 0.098 0.000 0.816 189 L CB 1.717 43.826 42.059 0.084 0.000 1.287 189 L HN -0.059 nan 8.230 nan 0.000 0.435 190 R N 1.378 121.904 120.500 0.044 0.000 2.854 190 R HA 0.502 4.843 4.340 0.001 0.000 0.271 190 R C -2.616 173.687 176.300 0.005 0.000 0.996 190 R CA -2.068 54.046 56.100 0.023 0.000 0.961 190 R CB 1.098 31.414 30.300 0.027 0.000 1.182 190 R HN 0.268 nan 8.270 nan 0.000 0.479 191 P HA -0.039 nan 4.420 nan 0.000 0.264 191 P C 0.537 177.812 177.300 -0.042 0.000 1.183 191 P CA 1.058 64.147 63.100 -0.018 0.000 0.763 191 P CB 0.474 32.176 31.700 0.003 0.000 0.807 192 G N 1.675 110.428 108.800 -0.078 0.000 2.179 192 G HA2 -0.217 3.743 3.960 0.001 0.000 0.260 192 G HA3 -0.217 3.743 3.960 0.001 0.000 0.260 192 G C 0.124 174.979 174.900 -0.075 0.000 0.977 192 G CA -0.191 44.846 45.100 -0.106 0.000 0.641 192 G HN 0.493 nan 8.290 nan 0.000 0.533 193 D N 0.462 120.837 120.400 -0.041 0.000 2.400 193 D HA 0.403 5.043 4.640 0.001 0.000 0.238 193 D C 1.121 177.412 176.300 -0.015 0.000 1.157 193 D CA 0.244 54.232 54.000 -0.020 0.000 0.889 193 D CB 0.391 41.190 40.800 -0.001 0.000 1.199 193 D HN 0.431 nan 8.370 nan 0.000 0.436 194 R N 0.465 120.961 120.500 -0.007 0.000 2.407 194 R HA 0.616 4.956 4.340 0.001 0.000 0.303 194 R C -0.840 175.467 176.300 0.011 0.000 0.981 194 R CA -0.860 55.248 56.100 0.014 0.000 0.905 194 R CB 1.604 31.908 30.300 0.006 0.000 1.099 194 R HN 0.101 nan 8.270 nan 0.000 0.459 195 V N 3.190 123.128 119.914 0.041 0.000 2.709 195 V HA 0.492 4.612 4.120 0.001 0.000 0.308 195 V C -0.320 175.781 176.094 0.011 0.000 1.062 195 V CA -0.920 61.352 62.300 -0.047 0.000 0.901 195 V CB 2.273 34.000 31.823 -0.161 0.000 1.003 195 V HN 0.698 nan 8.190 nan 0.000 0.425 196 R N 2.811 123.262 120.500 -0.082 0.000 2.561 196 R HA 0.611 4.951 4.340 0.001 0.000 0.297 196 R C -1.583 174.659 176.300 -0.096 0.000 0.969 196 R CA -0.490 55.625 56.100 0.025 0.000 0.879 196 R CB 2.202 32.537 30.300 0.058 0.000 1.178 196 R HN 0.537 nan 8.270 nan 0.000 0.445 197 F N 2.920 122.993 119.950 0.204 0.000 2.385 197 F HA 0.443 4.970 4.527 0.001 0.000 0.336 197 F C 0.292 176.224 175.800 0.220 0.000 1.100 197 F CA -0.526 57.599 58.000 0.209 0.000 1.116 197 F CB 0.963 40.139 39.000 0.293 0.000 1.166 197 F HN 0.108 nan 8.300 nan 0.000 0.511 198 L N 2.124 123.565 121.223 0.363 0.000 2.409 198 L HA 0.330 4.671 4.340 0.001 0.000 0.272 198 L C -0.288 176.766 176.870 0.306 0.000 0.980 198 L CA -0.840 54.168 54.840 0.279 0.000 0.826 198 L CB 2.073 44.230 42.059 0.164 0.000 1.268 198 L HN 0.598 nan 8.230 nan 0.000 0.407 199 E N 2.511 122.925 120.200 0.357 0.000 2.415 199 E HA 0.467 4.817 4.350 0.001 0.000 0.263 199 E C -0.792 175.925 176.600 0.196 0.000 0.995 199 E CA -0.012 56.607 56.400 0.364 0.000 0.915 199 E CB 0.920 30.831 29.700 0.352 0.000 0.951 199 E HN 0.656 nan 8.360 nan 0.000 0.449 200 A N 4.360 127.266 122.820 0.144 0.000 2.606 200 A HA 0.408 4.729 4.320 0.001 0.000 0.293 200 A C -1.281 176.339 177.584 0.060 0.000 1.082 200 A CA -0.835 51.254 52.037 0.087 0.000 0.685 200 A CB 1.405 20.445 19.000 0.067 0.000 1.284 200 A HN 0.704 nan 8.150 nan 0.000 0.408 201 E N -0.306 119.921 120.200 0.045 0.000 2.214 201 E HA 0.663 5.013 4.350 0.001 0.000 0.274 201 E C 0.090 176.699 176.600 0.016 0.000 0.977 201 E CA -0.266 56.152 56.400 0.030 0.000 0.827 201 E CB 2.081 31.799 29.700 0.030 0.000 1.130 201 E HN 1.359 nan 8.360 nan 0.000 0.394 202 G N 1.837 110.640 108.800 0.006 0.000 2.339 202 G HA2 0.150 4.111 3.960 0.001 0.000 0.302 202 G HA3 0.150 4.111 3.960 0.001 0.000 0.302 202 G C -2.997 171.895 174.900 -0.012 0.000 1.425 202 G CA -1.039 44.059 45.100 -0.004 0.000 0.899 202 G HN 0.372 nan 8.290 nan 0.000 0.619 203 P HA 0.369 nan 4.420 nan 0.000 0.275 203 P C 0.107 177.385 177.300 -0.037 0.000 1.228 203 P CA 0.064 63.151 63.100 -0.021 0.000 0.786 203 P CB 0.687 32.374 31.700 -0.021 0.000 0.927 204 T N 4.352 118.890 114.554 -0.027 0.000 2.853 204 T HA 0.203 4.554 4.350 0.001 0.000 0.298 204 T C -2.008 172.656 174.700 -0.060 0.000 0.978 204 T CA -0.468 61.612 62.100 -0.033 0.000 1.152 204 T CB -0.646 68.231 68.868 0.015 0.000 0.914 204 T HN 0.347 nan 8.240 nan 0.000 0.539 205 P HA 0.170 nan 4.420 nan 0.000 0.268 205 P C -2.161 175.131 177.300 -0.013 0.000 1.205 205 P CA -1.160 61.823 63.100 -0.195 0.000 0.771 205 P CB -0.228 31.172 31.700 -0.500 0.000 0.858 206 P HA 0.018 nan 4.420 nan 0.000 0.271 206 P C -0.330 177.075 177.300 0.175 0.000 1.233 206 P CA 0.022 63.164 63.100 0.070 0.000 0.789 206 P CB 0.594 32.299 31.700 0.009 0.000 0.951 207 E N 1.834 122.100 120.200 0.109 0.000 2.129 207 E HA 0.194 4.544 4.350 0.001 0.000 0.283 207 E C -1.913 174.708 176.600 0.034 0.000 1.080 207 E CA -2.105 54.334 56.400 0.065 0.000 0.867 207 E CB -0.126 29.578 29.700 0.006 0.000 1.056 207 E HN 0.245 nan 8.360 nan 0.000 0.404 208 P HA -0.057 nan 4.420 nan 0.000 0.264 208 P C -0.628 176.694 177.300 0.036 0.000 1.183 208 P CA 0.021 63.134 63.100 0.021 0.000 0.763 208 P CB 0.554 32.230 31.700 -0.041 0.000 0.807 209 R N 3.245 123.778 120.500 0.056 0.000 2.553 209 R HA 0.498 4.839 4.340 0.001 0.000 0.263 209 R C -2.175 174.243 176.300 0.197 0.000 1.066 209 R CA -1.706 54.442 56.100 0.080 0.000 1.135 209 R CB -0.996 29.309 30.300 0.009 0.000 1.148 209 R HN 0.444 nan 8.270 nan 0.000 0.558 210 P HA 0.081 nan 4.420 nan 0.000 0.267 210 P C -0.738 176.585 177.300 0.039 0.000 1.200 210 P CA -0.323 62.796 63.100 0.032 0.000 0.772 210 P CB 0.310 32.014 31.700 0.006 0.000 0.855 211 L N 2.468 123.565 121.223 -0.210 0.000 2.265 211 L HA 0.305 4.645 4.340 0.001 0.000 0.288 211 L C 0.162 176.940 176.870 -0.153 0.000 1.058 211 L CA -0.480 54.172 54.840 -0.314 0.000 0.809 211 L CB 0.342 42.041 42.059 -0.600 0.000 1.179 211 L HN 0.207 nan 8.230 nan 0.000 0.429 212 E N 3.736 123.905 120.200 -0.052 0.000 2.259 212 E HA 0.217 4.568 4.350 0.001 0.000 0.281 212 E C 0.096 176.670 176.600 -0.044 0.000 1.037 212 E CA 0.296 56.671 56.400 -0.043 0.000 0.854 212 E CB 0.744 30.451 29.700 0.012 0.000 1.051 212 E HN 0.730 nan 8.360 nan 0.000 0.409 213 L N 3.658 124.849 121.223 -0.053 0.000 2.470 213 L HA 0.237 4.577 4.340 0.001 0.000 0.219 213 L C 0.356 177.220 176.870 -0.010 0.000 1.071 213 L CA -0.113 54.713 54.840 -0.023 0.000 0.850 213 L CB -0.013 42.032 42.059 -0.024 0.000 1.040 213 L HN 0.423 nan 8.230 nan 0.000 0.475 214 L N 2.799 124.008 121.223 -0.023 0.000 2.319 214 L HA 0.263 4.604 4.340 0.001 0.000 0.280 214 L C -1.967 174.907 176.870 0.007 0.000 1.099 214 L CA -1.816 53.018 54.840 -0.010 0.000 0.828 214 L CB 0.466 42.510 42.059 -0.025 0.000 1.150 214 L HN -0.154 nan 8.230 nan 0.000 0.442 215 P HA 0.129 nan 4.420 nan 0.000 0.271 215 P C 0.437 177.753 177.300 0.026 0.000 1.216 215 P CA -0.100 63.012 63.100 0.020 0.000 0.776 215 P CB 0.917 32.627 31.700 0.016 0.000 0.881 216 E N 2.047 122.266 120.200 0.031 0.000 2.051 216 E HA -0.086 4.264 4.350 0.001 0.000 0.192 216 E C 1.351 177.967 176.600 0.028 0.000 0.991 216 E CA 1.903 58.326 56.400 0.038 0.000 0.799 216 E CB -1.097 28.627 29.700 0.039 0.000 0.748 216 E HN 0.740 nan 8.360 nan 0.000 0.449 217 E N 2.011 122.223 120.200 0.020 0.000 2.400 217 E HA 0.474 4.825 4.350 0.001 0.000 0.232 217 E C -2.480 174.126 176.600 0.009 0.000 0.988 217 E CA -1.600 54.808 56.400 0.013 0.000 0.823 217 E CB 0.164 29.870 29.700 0.011 0.000 1.246 217 E HN 0.432 nan 8.360 nan 0.000 0.441 218 P HA 0.175 nan 4.420 nan 0.000 0.269 218 P C 0.426 177.726 177.300 -0.001 0.000 1.215 218 P CA -0.309 62.793 63.100 0.004 0.000 0.780 218 P CB 1.210 32.911 31.700 0.002 0.000 0.898 219 R N 0.955 121.454 120.500 -0.001 0.000 2.120 219 R HA 0.027 4.368 4.340 0.001 0.000 0.234 219 R C 0.573 176.867 176.300 -0.010 0.000 1.123 219 R CA 1.042 57.140 56.100 -0.004 0.000 0.975 219 R CB -0.273 30.026 30.300 -0.002 0.000 0.866 219 R HN 0.448 nan 8.270 nan 0.000 0.446 220 L N 1.133 122.347 121.223 -0.014 0.000 2.502 220 L HA 0.339 4.680 4.340 0.001 0.000 0.249 220 L C -2.502 174.349 176.870 -0.032 0.000 1.446 220 L CA -2.098 52.728 54.840 -0.022 0.000 0.887 220 L CB 1.702 43.748 42.059 -0.022 0.000 1.126 220 L HN -0.264 nan 8.230 nan 0.000 0.509 221 P HA -0.049 nan 4.420 nan 0.000 0.260 221 P C 0.265 177.522 177.300 -0.072 0.000 1.172 221 P CA 0.496 63.570 63.100 -0.042 0.000 0.760 221 P CB 1.337 33.015 31.700 -0.037 0.000 0.773 222 A N 4.238 127.006 122.820 -0.087 0.000 1.988 222 A HA 0.382 4.702 4.320 0.001 0.000 0.198 222 A C 0.262 177.711 177.584 -0.226 0.000 1.507 222 A CA 0.818 52.769 52.037 -0.143 0.000 0.901 222 A CB -0.154 18.781 19.000 -0.107 0.000 1.007 222 A HN 0.515 nan 8.150 nan 0.000 0.502 223 L N -2.545 118.584 121.223 -0.156 0.000 2.466 223 L HA 0.846 5.187 4.340 0.001 0.000 0.258 223 L C -1.095 175.745 176.870 -0.049 0.000 0.973 223 L CA -0.867 53.874 54.840 -0.164 0.000 0.826 223 L CB 1.670 43.626 42.059 -0.172 0.000 1.372 223 L HN 0.064 nan 8.230 nan 0.000 0.409 224 L N 2.446 123.654 121.223 -0.026 0.000 2.309 224 L HA 0.726 5.067 4.340 0.001 0.000 0.282 224 L C -0.643 176.262 176.870 0.058 0.000 1.036 224 L CA -0.305 54.545 54.840 0.018 0.000 0.806 224 L CB 1.841 43.906 42.059 0.011 0.000 1.220 224 L HN 0.541 nan 8.230 nan 0.000 0.429 225 V N 6.464 126.419 119.914 0.068 0.000 2.372 225 V HA 0.196 4.316 4.120 0.001 0.000 0.261 225 V C 1.043 177.180 176.094 0.071 0.000 1.055 225 V CA -0.311 62.037 62.300 0.082 0.000 0.930 225 V CB 0.236 32.112 31.823 0.089 0.000 1.031 225 V HN 0.864 nan 8.190 nan 0.000 0.479 226 E N 3.437 123.676 120.200 0.064 0.000 2.046 226 E HA -0.007 4.344 4.350 0.001 0.000 0.190 226 E C 0.294 176.923 176.600 0.049 0.000 0.982 226 E CA 0.919 57.348 56.400 0.049 0.000 0.800 226 E CB 0.497 30.222 29.700 0.042 0.000 0.756 226 E HN 0.765 nan 8.360 nan 0.000 0.449 227 E N 0.590 120.820 120.200 0.050 0.000 2.290 227 E HA 0.282 4.632 4.350 0.001 0.000 0.274 227 E C -2.632 174.001 176.600 0.055 0.000 0.889 227 E CA -2.105 54.325 56.400 0.051 0.000 0.760 227 E CB 2.831 32.553 29.700 0.036 0.000 1.206 227 E HN -0.044 nan 8.360 nan 0.000 0.419 228 P HA 0.131 nan 4.420 nan 0.000 0.276 228 P C -0.004 177.328 177.300 0.053 0.000 1.244 228 P CA -0.157 62.986 63.100 0.071 0.000 0.801 228 P CB 1.015 32.785 31.700 0.116 0.000 1.006 229 G N 0.792 109.612 108.800 0.033 0.000 2.516 229 G HA2 0.139 4.099 3.960 0.001 0.000 0.276 229 G HA3 0.139 4.099 3.960 0.001 0.000 0.276 229 G C 0.783 175.735 174.900 0.088 0.000 1.390 229 G CA -0.517 44.612 45.100 0.048 0.000 1.050 229 G HN 0.487 nan 8.290 nan 0.000 0.519 230 L N -1.036 120.261 121.223 0.123 0.000 2.046 230 L HA 0.263 4.603 4.340 0.001 0.000 0.208 230 L C 1.415 178.346 176.870 0.102 0.000 1.077 230 L CA 1.666 56.576 54.840 0.118 0.000 0.747 230 L CB -0.151 41.999 42.059 0.151 0.000 0.896 230 L HN 0.465 nan 8.230 nan 0.000 0.432 231 M N 0.196 119.865 119.600 0.114 0.000 2.302 231 M HA 0.209 4.689 4.480 0.001 0.000 0.207 231 M C -1.807 174.537 176.300 0.072 0.000 1.016 231 M CA -0.419 54.929 55.300 0.080 0.000 0.941 231 M CB 0.474 33.121 32.600 0.077 0.000 2.701 231 M HN -0.078 nan 8.290 nan 0.000 0.377 232 D N 4.959 125.392 120.400 0.054 0.000 2.295 232 D HA 0.438 5.079 4.640 0.001 0.000 0.248 232 D C -0.638 175.671 176.300 0.015 0.000 1.154 232 D CA 0.204 54.235 54.000 0.052 0.000 0.857 232 D CB 1.455 42.280 40.800 0.041 0.000 1.117 232 D HN 0.550 nan 8.370 nan 0.000 0.468 233 L N 1.668 122.902 121.223 0.020 0.000 2.362 233 L HA 0.334 4.674 4.340 0.001 0.000 0.275 233 L C -0.171 176.714 176.870 0.025 0.000 0.998 233 L CA -1.239 53.603 54.840 0.004 0.000 0.820 233 L CB 2.274 44.336 42.059 0.005 0.000 1.270 233 L HN -0.007 nan 8.230 nan 0.000 0.415 234 V N 4.148 124.070 119.914 0.014 0.000 2.427 234 V HA 0.226 4.347 4.120 0.001 0.000 0.268 234 V C 0.136 176.249 176.094 0.032 0.000 1.046 234 V CA -0.371 61.949 62.300 0.033 0.000 0.970 234 V CB 1.183 33.017 31.823 0.019 0.000 1.001 234 V HN 0.514 nan 8.190 nan 0.000 0.476 235 V N 2.243 122.192 119.914 0.058 0.000 2.656 235 V HA 0.803 4.923 4.120 0.001 0.000 0.307 235 V C -0.414 175.709 176.094 0.048 0.000 1.051 235 V CA -0.857 61.472 62.300 0.049 0.000 0.893 235 V CB 1.970 33.836 31.823 0.072 0.000 0.999 235 V HN 0.758 nan 8.190 nan 0.000 0.426 236 D N 3.707 124.120 120.400 0.023 0.000 2.511 236 D HA 0.414 5.054 4.640 0.001 0.000 0.283 236 D C 1.469 177.777 176.300 0.013 0.000 1.198 236 D CA 0.258 54.273 54.000 0.024 0.000 1.097 236 D CB 0.454 41.269 40.800 0.026 0.000 1.160 236 D HN 0.690 nan 8.370 nan 0.000 0.589 237 G N -2.163 106.662 108.800 0.040 0.000 2.498 237 G HA2 0.370 4.330 3.960 0.001 0.000 0.219 237 G HA3 0.370 4.330 3.960 0.001 0.000 0.219 237 G C 0.842 175.726 174.900 -0.028 0.000 1.119 237 G CA 0.603 45.755 45.100 0.087 0.000 0.766 237 G HN 1.018 nan 8.290 nan 0.000 0.552 238 G N -1.461 107.195 108.800 -0.240 0.000 2.340 238 G HA2 0.170 4.130 3.960 0.001 0.000 0.527 238 G HA3 0.170 4.130 3.960 0.001 0.000 0.527 238 G C -0.910 173.501 174.900 -0.814 0.000 1.381 238 G CA -0.516 44.261 45.100 -0.539 0.000 1.001 238 G HN 0.454 nan 8.290 nan 0.000 0.626 239 R N 0.111 120.234 120.500 -0.629 0.000 2.207 239 R HA 0.677 5.018 4.340 0.001 0.000 0.334 239 R C -0.672 175.338 176.300 -0.483 0.000 1.013 239 R CA -0.545 55.300 56.100 -0.426 0.000 0.858 239 R CB 0.169 30.381 30.300 -0.146 0.000 1.094 239 R HN 0.312 nan 8.270 nan 0.000 0.457 240 F N 4.524 124.480 119.950 0.010 0.000 2.483 240 F HA 0.367 4.894 4.527 0.001 0.000 0.329 240 F C 0.888 176.693 175.800 0.009 0.000 1.064 240 F CA -1.039 56.962 58.000 0.003 0.000 0.986 240 F CB 1.218 40.214 39.000 -0.006 0.000 1.218 240 F HN 0.389 nan 8.300 nan 0.000 0.484 241 L N 1.258 122.613 121.223 0.220 0.000 3.717 241 L HA -0.237 4.104 4.340 0.001 0.000 0.414 241 L C 0.780 177.762 176.870 0.186 0.000 1.228 241 L CA 0.726 55.660 54.840 0.158 0.000 0.918 241 L CB -1.811 40.316 42.059 0.114 0.000 1.865 241 L HN 1.004 nan 8.230 nan 0.000 0.922 242 G N -1.567 107.291 108.800 0.096 0.000 3.342 242 G HA2 0.374 4.334 3.960 0.001 0.000 0.252 242 G HA3 0.374 4.334 3.960 0.001 0.000 0.252 242 G C 1.099 175.896 174.900 -0.171 0.000 1.011 242 G CA 0.454 45.502 45.100 -0.086 0.000 0.869 242 G HN 0.426 nan 8.290 nan 0.000 0.514 243 G N 1.208 110.006 108.800 -0.003 0.000 2.448 243 G HA2 -0.192 3.768 3.960 0.001 0.000 0.219 243 G HA3 -0.192 3.768 3.960 0.001 0.000 0.219 243 G C 1.548 176.418 174.900 -0.049 0.000 1.127 243 G CA 1.254 46.344 45.100 -0.016 0.000 0.766 243 G HN 0.622 nan 8.290 nan 0.000 0.552 244 H N 0.111 119.122 119.070 -0.098 0.000 2.561 244 H HA 0.141 4.697 4.556 0.001 0.000 0.278 244 H C 1.678 176.879 175.328 -0.212 0.000 1.014 244 H CA 0.499 56.474 56.048 -0.121 0.000 1.211 244 H CB -0.286 29.414 29.762 -0.102 0.000 1.365 244 H HN 0.393 nan 8.280 nan 0.000 0.594 245 L N -0.474 120.317 121.223 -0.720 0.000 2.766 245 L HA 0.330 4.670 4.340 0.001 0.000 0.242 245 L C 1.499 178.073 176.870 -0.493 0.000 1.136 245 L CA 0.346 54.693 54.840 -0.821 0.000 0.933 245 L CB 0.658 41.865 42.059 -1.421 0.000 1.241 245 L HN 0.483 nan 8.230 nan 0.000 0.522 246 G N 0.871 109.484 108.800 -0.311 0.000 2.157 246 G HA2 -0.250 3.711 3.960 0.001 0.000 0.239 246 G HA3 -0.250 3.711 3.960 0.001 0.000 0.239 246 G C 0.117 174.925 174.900 -0.153 0.000 0.982 246 G CA -0.352 44.626 45.100 -0.204 0.000 0.650 246 G HN 0.180 nan 8.290 nan 0.000 0.527 247 L N 1.336 122.474 121.223 -0.141 0.000 2.313 247 L HA 0.622 4.963 4.340 0.001 0.000 0.282 247 L C 1.225 178.062 176.870 -0.056 0.000 1.092 247 L CA -0.120 54.688 54.840 -0.052 0.000 0.831 247 L CB 1.135 43.198 42.059 0.007 0.000 1.159 247 L HN 0.353 nan 8.230 nan 0.000 0.442 248 A N 3.143 125.934 122.820 -0.047 0.000 2.406 248 A HA 0.172 4.493 4.320 0.001 0.000 0.243 248 A C 1.229 178.779 177.584 -0.057 0.000 1.082 248 A CA -0.294 51.714 52.037 -0.048 0.000 0.786 248 A CB 0.426 19.399 19.000 -0.045 0.000 1.029 248 A HN 0.855 nan 8.150 nan 0.000 0.495 249 R N 1.351 121.817 120.500 -0.056 0.000 2.091 249 R HA -0.052 4.289 4.340 0.001 0.000 0.238 249 R C 1.292 177.506 176.300 -0.142 0.000 1.136 249 R CA 1.955 57.992 56.100 -0.105 0.000 0.959 249 R CB -0.799 29.475 30.300 -0.043 0.000 0.856 249 R HN 1.295 nan 8.270 nan 0.000 0.437 250 S N -2.942 112.713 115.700 -0.075 0.000 3.236 250 S HA -0.122 4.349 4.470 0.001 0.000 0.629 250 S C 0.640 175.202 174.600 -0.064 0.000 2.873 250 S CA 2.322 60.488 58.200 -0.056 0.000 3.603 250 S CB -1.611 61.556 63.200 -0.055 0.000 0.287 250 S HN 1.582 nan 8.310 nan 0.000 1.458 251 G N 0.453 109.221 108.800 -0.052 0.000 2.681 251 G HA2 -0.078 3.883 3.960 0.001 0.000 0.220 251 G HA3 -0.078 3.883 3.960 0.001 0.000 0.220 251 G C -2.917 172.006 174.900 0.038 0.000 1.353 251 G CA -0.024 45.061 45.100 -0.026 0.000 0.872 251 G HN 1.100 nan 8.290 nan 0.000 0.557 252 P HA 0.340 nan 4.420 nan 0.000 0.276 252 P C 0.852 178.226 177.300 0.124 0.000 1.230 252 P CA -0.417 62.767 63.100 0.139 0.000 0.776 252 P CB 1.403 33.097 31.700 -0.010 0.000 0.888 253 L N 1.961 123.303 121.223 0.197 0.000 2.217 253 L HA 0.034 4.375 4.340 0.001 0.000 0.211 253 L C 0.778 177.746 176.870 0.163 0.000 1.107 253 L CA 1.796 56.725 54.840 0.149 0.000 0.783 253 L CB -0.554 41.584 42.059 0.133 0.000 0.919 253 L HN 0.343 nan 8.230 nan 0.000 0.442 254 D N -1.170 119.363 120.400 0.223 0.000 2.460 254 D HA 0.321 4.961 4.640 0.001 0.000 0.268 254 D C 1.012 177.267 176.300 -0.074 0.000 1.153 254 D CA 0.396 54.501 54.000 0.175 0.000 0.929 254 D CB 1.147 42.145 40.800 0.330 0.000 1.015 254 D HN 0.130 nan 8.370 nan 0.000 0.502 255 A N 4.152 126.946 122.820 -0.043 0.000 1.898 255 A HA 0.008 4.328 4.320 0.001 0.000 0.216 255 A C -0.545 176.924 177.584 -0.191 0.000 1.181 255 A CA 0.896 52.855 52.037 -0.129 0.000 0.620 255 A CB -0.935 18.042 19.000 -0.038 0.000 0.819 255 A HN 0.440 nan 8.150 nan 0.000 0.442 256 P HA -0.077 nan 4.420 nan 0.000 0.217 256 P C 1.663 178.814 177.300 -0.248 0.000 1.150 256 P CA 1.669 64.645 63.100 -0.206 0.000 0.832 256 P CB -0.075 31.459 31.700 -0.276 0.000 0.787 257 S N -0.489 115.049 115.700 -0.270 0.000 2.368 257 S HA -0.103 4.368 4.470 0.001 0.000 0.224 257 S C 2.051 176.368 174.600 -0.472 0.000 1.029 257 S CA 1.308 59.317 58.200 -0.319 0.000 0.988 257 S CB -1.013 62.062 63.200 -0.209 0.000 0.838 257 S HN 0.136 nan 8.310 nan 0.000 0.462 258 A N 2.043 124.398 122.820 -0.776 0.000 1.877 258 A HA -0.106 4.215 4.320 0.001 0.000 0.216 258 A C 2.154 179.562 177.584 -0.293 0.000 1.186 258 A CA 1.221 52.853 52.037 -0.676 0.000 0.620 258 A CB -0.454 18.125 19.000 -0.701 0.000 0.822 258 A HN 0.393 nan 8.150 nan 0.000 0.443 259 R N -1.210 119.140 120.500 -0.250 0.000 2.081 259 R HA -0.103 4.237 4.340 0.001 0.000 0.235 259 R C 2.116 178.308 176.300 -0.180 0.000 1.131 259 R CA 1.357 57.352 56.100 -0.175 0.000 0.960 259 R CB -0.641 29.562 30.300 -0.162 0.000 0.856 259 R HN 0.479 nan 8.270 nan 0.000 0.436 260 L N 1.045 122.144 121.223 -0.205 0.000 2.042 260 L HA -0.166 4.174 4.340 0.001 0.000 0.210 260 L C 2.251 179.047 176.870 -0.122 0.000 1.076 260 L CA 2.053 56.779 54.840 -0.191 0.000 0.749 260 L CB -0.740 41.227 42.059 -0.153 0.000 0.893 260 L HN 0.140 nan 8.230 nan 0.000 0.432 261 A N -0.697 122.063 122.820 -0.099 0.000 1.902 261 A HA -0.209 4.111 4.320 0.001 0.000 0.217 261 A C 2.141 179.720 177.584 -0.010 0.000 1.181 261 A CA 1.781 53.807 52.037 -0.019 0.000 0.623 261 A CB -0.760 18.261 19.000 0.035 0.000 0.818 261 A HN 0.595 nan 8.150 nan 0.000 0.443 262 N N -0.247 118.432 118.700 -0.036 0.000 2.120 262 N HA -0.108 4.633 4.740 0.001 0.000 0.188 262 N C 1.858 177.341 175.510 -0.044 0.000 1.024 262 N CA 1.184 54.218 53.050 -0.027 0.000 0.852 262 N CB -0.384 38.083 38.487 -0.034 0.000 1.003 262 N HN 0.501 nan 8.380 nan 0.000 0.424 263 R N 0.486 120.937 120.500 -0.081 0.000 2.092 263 R HA 0.043 4.383 4.340 0.001 0.000 0.231 263 R C 2.243 178.502 176.300 -0.069 0.000 1.119 263 R CA 0.520 56.561 56.100 -0.098 0.000 0.970 263 R CB -0.351 29.844 30.300 -0.174 0.000 0.864 263 R HN 0.224 nan 8.270 nan 0.000 0.440 264 L N 0.738 121.932 121.223 -0.048 0.000 2.127 264 L HA -0.130 4.210 4.340 0.001 0.000 0.211 264 L C 1.990 178.862 176.870 0.003 0.000 1.089 264 L CA 0.992 55.830 54.840 -0.004 0.000 0.757 264 L CB -0.244 41.834 42.059 0.032 0.000 0.899 264 L HN 0.126 nan 8.230 nan 0.000 0.434 265 V N -3.713 116.199 119.914 -0.004 0.000 3.514 265 V HA 0.489 4.609 4.120 0.001 0.000 0.301 265 V C 1.243 177.332 176.094 -0.009 0.000 1.346 265 V CA 0.257 62.554 62.300 -0.006 0.000 1.156 265 V CB -0.369 31.451 31.823 -0.005 0.000 1.029 265 V HN 0.478 nan 8.190 nan 0.000 0.428 266 G N 0.839 109.630 108.800 -0.016 0.000 2.143 266 G HA2 -0.258 3.702 3.960 0.001 0.000 0.249 266 G HA3 -0.258 3.702 3.960 0.001 0.000 0.249 266 G C -0.020 174.869 174.900 -0.018 0.000 0.981 266 G CA 0.286 45.376 45.100 -0.018 0.000 0.665 266 G HN 0.619 nan 8.290 nan 0.000 0.528 267 N N 0.645 119.334 118.700 -0.018 0.000 2.445 267 N HA 0.527 5.267 4.740 0.001 0.000 0.264 267 N C 0.972 176.467 175.510 -0.025 0.000 1.227 267 N CA 0.449 53.490 53.050 -0.015 0.000 0.963 267 N CB 0.472 38.956 38.487 -0.005 0.000 1.188 267 N HN 0.494 nan 8.380 nan 0.000 0.491 268 G N -0.709 108.080 108.800 -0.019 0.000 2.432 268 G HA2 0.287 4.247 3.960 0.001 0.000 0.239 268 G HA3 0.287 4.247 3.960 0.001 0.000 0.239 268 G C 1.008 175.892 174.900 -0.027 0.000 1.291 268 G CA 0.068 45.154 45.100 -0.023 0.000 0.863 268 G HN 0.623 nan 8.290 nan 0.000 0.560 269 A N 1.873 124.668 122.820 -0.042 0.000 1.986 269 A HA 0.019 4.339 4.320 0.001 0.000 0.220 269 A C 2.341 179.904 177.584 -0.035 0.000 1.171 269 A CA 2.112 54.115 52.037 -0.056 0.000 0.640 269 A CB -0.312 18.644 19.000 -0.073 0.000 0.811 269 A HN 1.157 nan 8.150 nan 0.000 0.451 270 G N -1.271 107.526 108.800 -0.005 0.000 3.189 270 G HA2 0.442 4.402 3.960 0.001 0.000 0.225 270 G HA3 0.442 4.402 3.960 0.001 0.000 0.225 270 G C 0.566 175.483 174.900 0.028 0.000 1.159 270 G CA 0.510 45.625 45.100 0.025 0.000 0.763 270 G HN 0.759 nan 8.290 nan 0.000 0.549 271 A N 0.983 123.813 122.820 0.016 0.000 2.520 271 A HA 0.483 4.803 4.320 0.001 0.000 0.235 271 A C -2.179 175.425 177.584 0.033 0.000 1.065 271 A CA -0.697 51.354 52.037 0.023 0.000 0.764 271 A CB 0.133 19.142 19.000 0.016 0.000 1.002 271 A HN 0.150 nan 8.150 nan 0.000 0.502 272 P HA 0.323 nan 4.420 nan 0.000 0.267 272 P C -0.908 176.431 177.300 0.064 0.000 1.209 272 P CA 0.267 63.395 63.100 0.047 0.000 0.763 272 P CB 0.387 32.111 31.700 0.040 0.000 0.816 273 L N 2.181 123.457 121.223 0.088 0.000 2.301 273 L HA 0.722 5.063 4.340 0.001 0.000 0.249 273 L C -1.051 175.907 176.870 0.146 0.000 1.069 273 L CA -1.324 53.591 54.840 0.126 0.000 0.865 273 L CB -0.118 42.028 42.059 0.146 0.000 1.467 273 L HN -0.007 nan 8.230 nan 0.000 0.419 274 L N 1.041 122.372 121.223 0.180 0.000 2.275 274 L HA 0.569 4.909 4.340 0.001 0.000 0.288 274 L C -0.123 176.822 176.870 0.126 0.000 1.046 274 L CA 0.252 55.191 54.840 0.165 0.000 0.805 274 L CB 0.809 42.987 42.059 0.198 0.000 1.193 274 L HN 0.878 nan 8.230 nan 0.000 0.426 275 E N 4.652 124.859 120.200 0.011 0.000 2.179 275 E HA 0.537 4.888 4.350 0.001 0.000 0.275 275 E C -1.719 174.772 176.600 -0.182 0.000 0.945 275 E CA -0.642 55.554 56.400 -0.340 0.000 0.792 275 E CB 1.134 30.688 29.700 -0.243 0.000 1.125 275 E HN 0.440 nan 8.360 nan 0.000 0.397 276 F N 1.119 120.833 119.950 -0.395 0.000 2.599 276 F HA 0.851 5.378 4.527 0.001 0.000 0.311 276 F C -1.230 174.459 175.800 -0.185 0.000 1.076 276 F CA -1.096 56.736 58.000 -0.280 0.000 0.937 276 F CB 1.413 40.176 39.000 -0.394 0.000 1.282 276 F HN 0.409 nan 8.300 nan 0.000 0.460 277 A N 1.933 124.847 122.820 0.156 0.000 2.422 277 A HA 0.740 5.060 4.320 0.001 0.000 0.302 277 A C -0.758 177.123 177.584 0.496 0.000 1.041 277 A CA -0.750 51.422 52.037 0.225 0.000 0.708 277 A CB 0.265 19.384 19.000 0.200 0.000 1.257 277 A HN 1.190 nan 8.150 nan 0.000 0.414 278 Y N 0.168 120.734 120.300 0.442 0.000 2.742 278 Y HA -0.296 4.254 4.550 0.001 0.000 0.485 278 Y C 0.817 177.017 175.900 0.499 0.000 1.119 278 Y CA 2.437 60.739 58.100 0.336 0.000 2.917 278 Y CB -0.934 37.631 38.460 0.175 0.000 0.951 278 Y HN 0.714 nan 8.280 nan 0.000 0.562 279 K N 1.605 122.351 120.400 0.575 0.000 2.471 279 K HA 0.580 4.900 4.320 0.001 0.000 0.252 279 K C 0.014 176.723 176.600 0.182 0.000 0.938 279 K CA 0.033 56.559 56.287 0.398 0.000 0.796 279 K CB 1.711 34.362 32.500 0.251 0.000 1.161 279 K HN 0.321 nan 8.250 nan 0.000 0.425 280 G N 3.528 112.301 108.800 -0.045 0.000 2.528 280 G HA2 0.428 4.389 3.960 0.001 0.000 0.289 280 G HA3 0.428 4.389 3.960 0.001 0.000 0.289 280 G C -2.479 172.289 174.900 -0.219 0.000 1.192 280 G CA -1.136 43.673 45.100 -0.484 0.000 0.921 280 G HN 0.430 nan 8.290 nan 0.000 0.512 281 P HA 0.320 nan 4.420 nan 0.000 0.276 281 P C -0.667 176.623 177.300 -0.017 0.000 1.261 281 P CA -0.457 62.595 63.100 -0.079 0.000 0.800 281 P CB 1.471 33.134 31.700 -0.063 0.000 1.066 282 V N 1.841 121.757 119.914 0.005 0.000 2.347 282 V HA 0.351 4.471 4.120 0.001 0.000 0.280 282 V C 0.321 176.448 176.094 0.055 0.000 1.021 282 V CA -0.393 61.905 62.300 -0.003 0.000 0.847 282 V CB 0.655 32.476 31.823 -0.003 0.000 0.990 282 V HN 0.330 nan 8.190 nan 0.000 0.444 283 L N 4.110 125.391 121.223 0.097 0.000 2.365 283 L HA 0.680 5.020 4.340 0.001 0.000 0.273 283 L C -0.104 176.978 176.870 0.353 0.000 1.000 283 L CA -0.312 54.675 54.840 0.246 0.000 0.819 283 L CB 2.484 44.794 42.059 0.419 0.000 1.284 283 L HN 0.516 nan 8.230 nan 0.000 0.418 284 T N 1.765 116.459 114.554 0.234 0.000 2.792 284 T HA 0.538 4.888 4.350 0.001 0.000 0.280 284 T C 0.031 174.683 174.700 -0.080 0.000 0.990 284 T CA -0.483 61.715 62.100 0.162 0.000 0.960 284 T CB 1.736 70.648 68.868 0.073 0.000 0.939 284 T HN 0.648 nan 8.240 nan 0.000 0.439 285 A N 3.349 125.973 122.820 -0.327 0.000 2.492 285 A HA 0.403 4.723 4.320 0.001 0.000 0.254 285 A C 1.068 178.445 177.584 -0.345 0.000 1.091 285 A CA -0.235 51.355 52.037 -0.745 0.000 0.768 285 A CB -0.165 18.108 19.000 -1.213 0.000 1.028 285 A HN 0.990 nan 8.150 nan 0.000 0.498 286 L N 1.847 122.895 121.223 -0.292 0.000 2.567 286 L HA 0.177 4.517 4.340 0.001 0.000 0.225 286 L C 1.191 177.968 176.870 -0.155 0.000 1.119 286 L CA 0.382 55.121 54.840 -0.168 0.000 0.871 286 L CB -0.492 41.493 42.059 -0.122 0.000 1.036 286 L HN 0.944 nan 8.230 nan 0.000 0.459 287 R N -2.661 117.713 120.500 -0.210 0.000 2.747 287 R HA 0.344 4.684 4.340 0.001 0.000 0.272 287 R C -1.481 174.708 176.300 -0.184 0.000 1.032 287 R CA -1.016 54.991 56.100 -0.155 0.000 0.896 287 R CB 0.666 30.895 30.300 -0.118 0.000 1.253 287 R HN -0.300 nan 8.270 nan 0.000 0.461 288 D N 1.157 121.492 120.400 -0.109 0.000 2.417 288 D HA 0.276 4.916 4.640 0.001 0.000 0.250 288 D C -0.344 175.905 176.300 -0.086 0.000 1.166 288 D CA 0.430 54.385 54.000 -0.075 0.000 0.881 288 D CB 0.639 41.423 40.800 -0.027 0.000 1.164 288 D HN 0.298 nan 8.370 nan 0.000 0.467 289 L N 1.257 122.435 121.223 -0.075 0.000 2.309 289 L HA 0.559 4.900 4.340 0.001 0.000 0.261 289 L C -0.492 176.383 176.870 0.008 0.000 1.021 289 L CA -1.252 53.557 54.840 -0.052 0.000 0.823 289 L CB 2.076 44.073 42.059 -0.105 0.000 1.366 289 L HN -0.022 nan 8.230 nan 0.000 0.423 290 V N 1.130 121.030 119.914 -0.023 0.000 2.384 290 V HA 0.791 4.911 4.120 0.001 0.000 0.287 290 V C 0.003 176.020 176.094 -0.129 0.000 1.020 290 V CA -0.359 61.895 62.300 -0.076 0.000 0.850 290 V CB 1.188 32.984 31.823 -0.045 0.000 0.987 290 V HN 0.854 nan 8.190 nan 0.000 0.436 291 A N 3.991 126.582 122.820 -0.381 0.000 2.387 291 A HA 1.067 5.388 4.320 0.001 0.000 0.303 291 A C -0.425 176.880 177.584 -0.464 0.000 1.145 291 A CA -0.365 51.439 52.037 -0.388 0.000 0.801 291 A CB 2.047 20.842 19.000 -0.343 0.000 1.342 291 A HN 1.503 nan 8.150 nan 0.000 0.440 292 A N -0.161 122.637 122.820 -0.037 0.000 2.488 292 A HA 0.664 4.984 4.320 0.001 0.000 0.298 292 A C -1.309 176.538 177.584 0.438 0.000 1.044 292 A CA -0.330 51.847 52.037 0.232 0.000 0.693 292 A CB 0.798 19.879 19.000 0.134 0.000 1.272 292 A HN 1.623 nan 8.150 nan 0.000 0.402 293 F N 2.306 122.482 119.950 0.378 0.000 2.436 293 F HA 0.753 5.281 4.527 0.000 0.000 0.340 293 F C 0.088 175.999 175.800 0.185 0.000 1.113 293 F CA -0.004 58.187 58.000 0.319 0.000 1.022 293 F CB 1.249 40.467 39.000 0.363 0.000 1.128 293 F HN 0.928 nan 8.300 nan 0.000 0.466 294 A N 4.020 126.565 122.820 -0.458 0.000 2.569 294 A HA 0.946 5.266 4.320 0.001 0.000 0.290 294 A C -0.083 177.117 177.584 -0.640 0.000 1.136 294 A CA -0.278 51.416 52.037 -0.573 0.000 0.710 294 A CB 1.041 19.897 19.000 -0.240 0.000 1.303 294 A HN 1.939 nan 8.150 nan 0.000 0.413 295 G N -1.392 107.046 108.800 -0.603 0.000 2.472 295 G HA2 0.276 4.236 3.960 0.001 0.000 0.205 295 G HA3 0.276 4.236 3.960 0.001 0.000 0.205 295 G C -0.980 173.491 174.900 -0.715 0.000 1.270 295 G CA -0.067 44.769 45.100 -0.441 0.000 0.974 295 G HN 1.601 nan 8.290 nan 0.000 0.542 296 Y N -1.149 119.193 120.300 0.069 0.000 2.644 296 Y HA 0.584 5.134 4.550 0.000 0.000 0.338 296 Y C 1.250 177.219 175.900 0.115 0.000 1.119 296 Y CA 0.287 58.451 58.100 0.107 0.000 1.060 296 Y CB 1.694 40.208 38.460 0.091 0.000 1.294 296 Y HN 2.211 nan 8.280 nan 0.000 0.472 297 G N -0.199 108.704 108.800 0.170 0.000 2.217 297 G HA2 -0.250 3.710 3.960 0.001 0.000 0.246 297 G HA3 -0.250 3.710 3.960 0.001 0.000 0.246 297 G C -0.544 174.040 174.900 -0.527 0.000 0.990 297 G CA -0.003 44.946 45.100 -0.252 0.000 0.627 297 G HN 0.419 nan 8.290 nan 0.000 0.522 298 F N -0.582 119.556 119.950 0.313 0.000 2.643 298 F HA 0.686 5.213 4.527 0.001 0.000 0.314 298 F C 0.187 176.197 175.800 0.350 0.000 1.096 298 F CA -0.831 57.362 58.000 0.321 0.000 0.953 298 F CB 2.039 41.273 39.000 0.390 0.000 1.345 298 F HN 0.391 nan 8.300 nan 0.000 0.468 299 V N -0.106 120.033 119.914 0.375 0.000 2.513 299 V HA 0.922 5.042 4.120 0.001 0.000 0.299 299 V C -0.191 175.855 176.094 -0.080 0.000 1.035 299 V CA -1.105 61.311 62.300 0.194 0.000 0.889 299 V CB 0.927 32.817 31.823 0.111 0.000 0.988 299 V HN 1.015 nan 8.190 nan 0.000 0.440 300 A N 5.408 128.004 122.820 -0.374 0.000 2.440 300 A HA 0.705 5.026 4.320 0.001 0.000 0.251 300 A C -0.259 177.014 177.584 -0.519 0.000 1.089 300 A CA -0.355 51.287 52.037 -0.658 0.000 0.779 300 A CB 0.071 18.610 19.000 -0.769 0.000 1.022 300 A HN 0.979 nan 8.150 nan 0.000 0.492 301 L N 3.193 124.055 121.223 -0.602 0.000 2.316 301 L HA 0.426 4.767 4.340 0.001 0.000 0.280 301 L C -1.016 175.572 176.870 -0.471 0.000 1.006 301 L CA -0.601 53.983 54.840 -0.426 0.000 0.836 301 L CB 1.445 43.319 42.059 -0.307 0.000 1.221 301 L HN 0.660 nan 8.230 nan 0.000 0.418 302 L N 3.885 124.864 121.223 -0.407 0.000 2.343 302 L HA 0.377 4.717 4.340 0.001 0.000 0.278 302 L C 0.177 176.936 176.870 -0.185 0.000 0.996 302 L CA 0.248 54.888 54.840 -0.333 0.000 0.831 302 L CB 1.077 42.896 42.059 -0.401 0.000 1.232 302 L HN 0.621 nan 8.230 nan 0.000 0.413 303 E N 3.770 123.899 120.200 -0.119 0.000 2.389 303 E HA -0.234 4.116 4.350 0.001 0.000 0.243 303 E C 1.042 177.598 176.600 -0.074 0.000 1.154 303 E CA 0.714 57.074 56.400 -0.066 0.000 0.723 303 E CB -1.570 28.110 29.700 -0.033 0.000 1.261 303 E HN 1.266 nan 8.360 nan 0.000 0.390 304 G N -1.899 106.843 108.800 -0.097 0.000 2.196 304 G HA2 -0.369 3.591 3.960 0.001 0.000 0.268 304 G HA3 -0.369 3.591 3.960 0.001 0.000 0.268 304 G C 0.133 174.978 174.900 -0.091 0.000 0.975 304 G CA 0.951 45.999 45.100 -0.086 0.000 0.648 304 G HN 0.876 nan 8.290 nan 0.000 0.538 305 E N 0.683 120.814 120.200 -0.114 0.000 2.197 305 E HA 0.653 5.004 4.350 0.001 0.000 0.281 305 E C -0.015 176.492 176.600 -0.155 0.000 0.995 305 E CA -0.307 56.026 56.400 -0.111 0.000 0.808 305 E CB 0.586 30.227 29.700 -0.098 0.000 1.093 305 E HN 0.604 nan 8.360 nan 0.000 0.394 306 E N 0.868 120.998 120.200 -0.117 0.000 2.290 306 E HA 0.345 4.696 4.350 0.001 0.000 0.277 306 E C -0.358 176.164 176.600 -0.130 0.000 1.035 306 E CA -0.083 56.245 56.400 -0.120 0.000 0.873 306 E CB 0.866 30.532 29.700 -0.057 0.000 1.029 306 E HN 0.560 nan 8.360 nan 0.000 0.419 307 I N 5.770 126.230 120.570 -0.183 0.000 2.382 307 I HA 0.263 4.433 4.170 0.001 0.000 0.285 307 I C -2.295 173.841 176.117 0.031 0.000 1.007 307 I CA -2.467 58.739 61.300 -0.157 0.000 1.142 307 I CB 1.289 39.032 38.000 -0.428 0.000 1.289 307 I HN 0.186 nan 8.210 nan 0.000 0.453 308 P HA 0.183 nan 4.420 nan 0.000 0.272 308 P C -2.440 175.014 177.300 0.257 0.000 1.223 308 P CA -1.214 61.996 63.100 0.184 0.000 0.784 308 P CB -0.167 31.594 31.700 0.101 0.000 0.923 309 P HA 0.074 nan 4.420 nan 0.000 0.269 309 P C 0.574 177.826 177.300 -0.080 0.000 1.215 309 P CA 0.607 63.626 63.100 -0.136 0.000 0.780 309 P CB 0.250 31.614 31.700 -0.560 0.000 0.898 310 G N 0.653 109.406 108.800 -0.079 0.000 2.131 310 G HA2 -0.125 3.835 3.960 0.001 0.000 0.201 310 G HA3 -0.125 3.835 3.960 0.001 0.000 0.201 310 G C -0.257 174.693 174.900 0.082 0.000 1.000 310 G CA 0.114 45.210 45.100 -0.006 0.000 0.680 310 G HN 0.878 nan 8.290 nan 0.000 0.514 311 Q N -0.713 119.172 119.800 0.142 0.000 2.416 311 Q HA 0.739 5.080 4.340 0.001 0.000 0.281 311 Q C -0.271 175.891 176.000 0.270 0.000 1.067 311 Q CA -0.389 55.520 55.803 0.177 0.000 0.809 311 Q CB 1.662 30.494 28.738 0.158 0.000 1.418 311 Q HN 0.865 nan 8.270 nan 0.000 0.411 312 S N 1.030 116.859 115.700 0.215 0.000 2.578 312 S HA 0.843 5.313 4.470 0.001 0.000 0.283 312 S C -0.481 174.280 174.600 0.269 0.000 1.195 312 S CA -0.553 57.756 58.200 0.182 0.000 1.050 312 S CB 0.345 63.585 63.200 0.066 0.000 1.012 312 S HN 0.608 nan 8.310 nan 0.000 0.511 313 F N -0.846 119.156 119.950 0.087 0.000 2.631 313 F HA 0.620 5.147 4.527 0.001 0.000 0.308 313 F C -1.314 174.550 175.800 0.106 0.000 1.097 313 F CA -1.647 56.398 58.000 0.075 0.000 0.952 313 F CB 0.708 39.733 39.000 0.043 0.000 1.307 313 F HN 0.490 nan 8.300 nan 0.000 0.450 314 L N 2.663 124.009 121.223 0.206 0.000 2.410 314 L HA 0.063 4.403 4.340 0.001 0.000 0.273 314 L C -0.935 176.138 176.870 0.337 0.000 1.152 314 L CA 0.085 55.027 54.840 0.170 0.000 0.855 314 L CB 0.525 42.671 42.059 0.146 0.000 1.129 314 L HN 0.702 nan 8.230 nan 0.000 0.463 315 W N 8.134 129.455 121.300 0.034 0.000 2.322 315 W HA 0.432 5.093 4.660 0.001 0.000 0.321 315 W C -2.502 174.046 176.519 0.048 0.000 0.991 315 W CA -3.307 54.099 57.345 0.100 0.000 1.448 315 W CB 0.534 30.021 29.460 0.045 0.000 1.239 315 W HN 0.213 nan 8.180 nan 0.000 0.399 316 P HA 0.100 nan 4.420 nan 0.000 0.271 316 P C -0.101 177.225 177.300 0.043 0.000 1.216 316 P CA -0.111 63.073 63.100 0.141 0.000 0.776 316 P CB 0.552 32.333 31.700 0.134 0.000 0.881 317 R N 2.263 122.742 120.500 -0.035 0.000 2.523 317 R HA 0.144 4.485 4.340 0.001 0.000 0.281 317 R C 1.156 177.437 176.300 -0.032 0.000 0.969 317 R CA 1.555 57.606 56.100 -0.082 0.000 1.093 317 R CB -1.006 29.257 30.300 -0.062 0.000 0.917 317 R HN 0.847 nan 8.270 nan 0.000 0.408 318 G N 2.848 111.618 108.800 -0.049 0.000 2.199 318 G HA2 -0.230 3.731 3.960 0.001 0.000 0.254 318 G HA3 -0.230 3.731 3.960 0.001 0.000 0.254 318 G C -0.318 174.615 174.900 0.055 0.000 0.982 318 G CA 0.181 45.280 45.100 -0.002 0.000 0.632 318 G HN 0.526 nan 8.290 nan 0.000 0.529 319 K N 1.243 121.716 120.400 0.123 0.000 2.144 319 K HA 0.594 4.914 4.320 0.001 0.000 0.270 319 K C 0.032 176.840 176.600 0.346 0.000 1.005 319 K CA -0.114 56.302 56.287 0.215 0.000 0.932 319 K CB 1.197 33.859 32.500 0.271 0.000 1.021 319 K HN 0.131 nan 8.250 nan 0.000 0.462 320 T N 2.594 117.270 114.554 0.204 0.000 2.767 320 T HA 0.320 4.671 4.350 0.001 0.000 0.284 320 T C -0.341 174.365 174.700 0.011 0.000 0.973 320 T CA -0.596 61.602 62.100 0.164 0.000 0.996 320 T CB 0.700 69.604 68.868 0.059 0.000 0.927 320 T HN 0.234 nan 8.240 nan 0.000 0.456 321 L N 4.470 125.649 121.223 -0.073 0.000 2.295 321 L HA 0.628 4.968 4.340 0.001 0.000 0.285 321 L C -0.097 176.447 176.870 -0.543 0.000 1.035 321 L CA -0.103 54.430 54.840 -0.511 0.000 0.806 321 L CB 0.702 42.175 42.059 -0.978 0.000 1.214 321 L HN 0.566 nan 8.230 nan 0.000 0.426 322 R N 3.500 123.573 120.500 -0.711 0.000 2.912 322 R HA 0.635 4.975 4.340 0.001 0.000 0.262 322 R C -1.630 174.049 176.300 -1.035 0.000 1.057 322 R CA -0.703 55.008 56.100 -0.649 0.000 0.981 322 R CB 1.827 31.939 30.300 -0.313 0.000 1.201 322 R HN 0.417 nan 8.270 nan 0.000 0.484 323 F N 0.469 120.230 119.950 -0.315 0.000 2.507 323 F HA 0.443 4.971 4.527 0.000 0.000 0.328 323 F C 0.165 175.961 175.800 -0.007 0.000 1.136 323 F CA -0.733 57.095 58.000 -0.287 0.000 0.930 323 F CB 1.717 40.361 39.000 -0.593 0.000 1.166 323 F HN 0.133 nan 8.300 nan 0.000 0.436 324 R N 4.471 125.096 120.500 0.208 0.000 2.255 324 R HA 0.484 4.825 4.340 0.001 0.000 0.326 324 R C -2.780 173.707 176.300 0.311 0.000 0.986 324 R CA -1.855 54.370 56.100 0.208 0.000 0.847 324 R CB 1.108 31.455 30.300 0.078 0.000 1.111 324 R HN 0.219 nan 8.270 nan 0.000 0.452 325 P HA -0.034 nan 4.420 nan 0.000 0.261 325 P C -1.303 176.006 177.300 0.014 0.000 1.183 325 P CA 0.463 63.585 63.100 0.037 0.000 0.761 325 P CB 0.481 32.201 31.700 0.033 0.000 0.785 326 R N 2.713 123.191 120.500 -0.037 0.000 2.633 326 R HA 0.513 4.853 4.340 0.001 0.000 0.256 326 R C -0.341 175.965 176.300 0.011 0.000 1.131 326 R CA 0.050 56.159 56.100 0.015 0.000 0.994 326 R CB 0.966 31.308 30.300 0.070 0.000 1.261 326 R HN 0.709 nan 8.270 nan 0.000 0.446 327 G N 3.378 112.186 108.800 0.014 0.000 2.741 327 G HA2 -0.202 3.758 3.960 0.001 0.000 0.222 327 G HA3 -0.202 3.758 3.960 0.001 0.000 0.222 327 G C -2.509 172.394 174.900 0.005 0.000 1.364 327 G CA -0.394 44.725 45.100 0.030 0.000 0.866 327 G HN 0.583 nan 8.290 nan 0.000 0.555 328 P HA 0.568 nan 4.420 nan 0.000 0.274 328 P C 0.605 177.918 177.300 0.021 0.000 1.237 328 P CA 1.402 64.505 63.100 0.005 0.000 0.793 328 P CB 0.925 32.633 31.700 0.012 0.000 0.977 329 G N -0.634 108.159 108.800 -0.012 0.000 2.612 329 G HA2 0.079 4.040 3.960 0.001 0.000 0.686 329 G HA3 0.079 4.040 3.960 0.001 0.000 0.686 329 G C -0.006 174.820 174.900 -0.123 0.000 1.274 329 G CA -0.311 44.792 45.100 0.006 0.000 0.849 329 G HN 0.840 nan 8.290 nan 0.000 0.595 330 V N -3.524 116.304 119.914 -0.143 0.000 3.392 330 V HA 0.622 4.742 4.120 0.001 0.000 0.285 330 V C 0.534 176.563 176.094 -0.110 0.000 1.582 330 V CA 1.149 63.238 62.300 -0.351 0.000 1.034 330 V CB 0.584 31.960 31.823 -0.744 0.000 0.846 330 V HN 0.927 nan 8.190 nan 0.000 0.431 331 R N 0.660 121.172 120.500 0.021 0.000 2.476 331 R HA 0.710 5.050 4.340 0.001 0.000 0.305 331 R C -0.072 176.108 176.300 -0.201 0.000 0.965 331 R CA 0.163 56.214 56.100 -0.082 0.000 0.867 331 R CB 1.747 32.010 30.300 -0.061 0.000 1.176 331 R HN 0.530 nan 8.270 nan 0.000 0.447 332 G N 2.250 110.575 108.800 -0.792 0.000 2.473 332 G HA2 0.528 4.489 3.960 0.001 0.000 0.321 332 G HA3 0.528 4.489 3.960 0.001 0.000 0.321 332 G C -1.723 172.225 174.900 -1.587 0.000 1.200 332 G CA -0.344 44.145 45.100 -1.018 0.000 0.963 332 G HN 0.438 nan 8.290 nan 0.000 0.483 333 Y N -0.688 119.352 120.300 -0.435 0.000 2.442 333 Y HA 0.591 5.141 4.550 0.001 0.000 0.344 333 Y C -0.486 175.536 175.900 0.204 0.000 0.976 333 Y CA -0.887 57.128 58.100 -0.141 0.000 1.040 333 Y CB 2.743 41.131 38.460 -0.120 0.000 1.228 333 Y HN 0.470 nan 8.280 nan 0.000 0.451 334 L N 3.093 124.553 121.223 0.396 0.000 2.372 334 L HA 0.896 5.236 4.340 0.001 0.000 0.273 334 L C -0.804 176.248 176.870 0.304 0.000 0.989 334 L CA -0.552 54.547 54.840 0.432 0.000 0.841 334 L CB 0.945 43.294 42.059 0.484 0.000 1.225 334 L HN 0.701 nan 8.230 nan 0.000 0.414 335 A N 4.478 127.445 122.820 0.245 0.000 2.312 335 A HA 0.831 5.151 4.320 0.001 0.000 0.328 335 A C -0.787 176.879 177.584 0.137 0.000 1.158 335 A CA -0.223 51.909 52.037 0.159 0.000 0.821 335 A CB 1.369 20.430 19.000 0.100 0.000 1.170 335 A HN 1.088 nan 8.150 nan 0.000 0.490 336 V N -0.785 119.193 119.914 0.105 0.000 2.735 336 V HA 0.836 4.956 4.120 0.001 0.000 0.310 336 V C 0.327 176.441 176.094 0.033 0.000 1.061 336 V CA -0.607 61.738 62.300 0.075 0.000 0.913 336 V CB 0.939 32.815 31.823 0.089 0.000 1.005 336 V HN 1.696 nan 8.190 nan 0.000 0.428 337 A N 3.090 125.915 122.820 0.009 0.000 2.545 337 A HA 0.555 4.876 4.320 0.001 0.000 0.253 337 A C 1.571 179.156 177.584 0.000 0.000 1.074 337 A CA 0.853 52.890 52.037 -0.001 0.000 0.760 337 A CB -0.710 18.284 19.000 -0.011 0.000 1.005 337 A HN 2.824 nan 8.150 nan 0.000 0.506 338 G N 1.521 110.322 108.800 0.002 0.000 2.232 338 G HA2 0.269 4.229 3.960 0.001 0.000 0.226 338 G HA3 0.269 4.229 3.960 0.001 0.000 0.226 338 G C 1.649 176.555 174.900 0.009 0.000 0.996 338 G CA 0.600 45.701 45.100 0.002 0.000 0.626 338 G HN 3.091 nan 8.290 nan 0.000 0.509 339 G N -0.909 107.902 108.800 0.018 0.000 2.860 339 G HA2 0.093 4.053 3.960 0.001 0.000 0.553 339 G HA3 0.093 4.053 3.960 0.001 0.000 0.553 339 G C -0.203 174.714 174.900 0.028 0.000 1.439 339 G CA -0.120 44.996 45.100 0.027 0.000 0.879 339 G HN 1.273 nan 8.290 nan 0.000 0.545 340 L N 0.162 121.405 121.223 0.035 0.000 2.322 340 L HA 0.515 4.856 4.340 0.001 0.000 0.279 340 L C 0.890 177.774 176.870 0.024 0.000 1.036 340 L CA -0.678 54.181 54.840 0.032 0.000 0.807 340 L CB 1.705 43.791 42.059 0.044 0.000 1.226 340 L HN 0.762 nan 8.230 nan 0.000 0.433 341 E N 2.554 122.765 120.200 0.017 0.000 2.223 341 E HA 0.385 4.735 4.350 0.001 0.000 0.282 341 E C -1.406 175.204 176.600 0.016 0.000 1.046 341 E CA -0.233 56.176 56.400 0.015 0.000 0.857 341 E CB 1.521 31.227 29.700 0.010 0.000 1.055 341 E HN 0.374 nan 8.360 nan 0.000 0.409 342 V N 5.010 124.935 119.914 0.019 0.000 2.924 342 V HA 0.384 4.504 4.120 0.001 0.000 0.300 342 V C -1.217 174.892 176.094 0.024 0.000 1.227 342 V CA -0.834 61.476 62.300 0.018 0.000 0.954 342 V CB 1.950 33.783 31.823 0.017 0.000 1.055 342 V HN 0.739 nan 8.190 nan 0.000 0.429 343 R N 6.322 126.837 120.500 0.026 0.000 2.491 343 R HA 0.404 4.745 4.340 0.001 0.000 0.283 343 R C -2.397 173.936 176.300 0.056 0.000 1.072 343 R CA -1.316 54.806 56.100 0.038 0.000 1.048 343 R CB 1.004 31.327 30.300 0.039 0.000 0.983 343 R HN 0.606 nan 8.270 nan 0.000 0.450 344 P HA 0.090 nan 4.420 nan 0.000 0.281 344 P C -1.188 176.199 177.300 0.146 0.000 1.249 344 P CA -0.210 62.939 63.100 0.081 0.000 0.810 344 P CB 0.676 32.405 31.700 0.048 0.000 1.008 345 F N 4.488 124.436 119.950 -0.003 0.000 2.477 345 F HA 0.344 4.872 4.527 0.001 0.000 0.335 345 F C -0.057 175.757 175.800 0.024 0.000 1.130 345 F CA -0.998 57.004 58.000 0.003 0.000 0.948 345 F CB 0.637 39.630 39.000 -0.010 0.000 1.154 345 F HN 0.040 nan 8.300 nan 0.000 0.439 346 L N 6.291 127.193 121.223 -0.534 0.000 3.762 346 L HA -0.133 4.207 4.340 0.001 0.000 0.460 346 L C 1.121 177.915 176.870 -0.127 0.000 1.255 346 L CA 1.326 55.935 54.840 -0.385 0.000 0.783 346 L CB -1.705 40.035 42.059 -0.532 0.000 1.600 346 L HN 1.191 nan 8.230 nan 0.000 0.862 347 G N -1.665 107.100 108.800 -0.059 0.000 2.176 347 G HA2 -0.189 3.771 3.960 0.001 0.000 0.253 347 G HA3 -0.189 3.771 3.960 0.001 0.000 0.253 347 G C 0.337 175.255 174.900 0.031 0.000 0.979 347 G CA 0.751 45.855 45.100 0.006 0.000 0.641 347 G HN 1.275 nan 8.290 nan 0.000 0.530 348 S N -1.316 114.401 115.700 0.028 0.000 2.541 348 S HA 0.768 5.239 4.470 0.001 0.000 0.271 348 S C 0.680 175.312 174.600 0.053 0.000 1.133 348 S CA 0.547 58.761 58.200 0.024 0.000 0.876 348 S CB 1.547 64.725 63.200 -0.037 0.000 1.105 348 S HN 1.658 nan 8.310 nan 0.000 0.470 349 A N 2.354 125.195 122.820 0.035 0.000 2.275 349 A HA 0.449 4.769 4.320 0.001 0.000 0.212 349 A C 0.792 178.388 177.584 0.020 0.000 1.201 349 A CA 0.020 52.079 52.037 0.036 0.000 0.843 349 A CB -0.313 18.705 19.000 0.030 0.000 0.873 349 A HN 0.659 nan 8.150 nan 0.000 0.492 350 S N 2.098 117.801 115.700 0.005 0.000 2.576 350 S HA 0.390 4.860 4.470 0.001 0.000 0.276 350 S C -2.357 172.240 174.600 -0.006 0.000 1.339 350 S CA -0.769 57.425 58.200 -0.010 0.000 1.039 350 S CB 0.672 63.846 63.200 -0.043 0.000 0.902 350 S HN 0.389 nan 8.310 nan 0.000 0.516 351 P HA 0.279 nan 4.420 nan 0.000 0.276 351 P C -1.145 176.141 177.300 -0.023 0.000 1.244 351 P CA -0.334 62.747 63.100 -0.030 0.000 0.801 351 P CB 0.617 32.293 31.700 -0.040 0.000 1.006 352 D N 2.048 122.431 120.400 -0.029 0.000 2.346 352 D HA 0.167 4.807 4.640 0.001 0.000 0.255 352 D C 1.090 177.376 176.300 -0.024 0.000 1.276 352 D CA -0.363 53.626 54.000 -0.018 0.000 0.941 352 D CB 0.471 41.275 40.800 0.008 0.000 1.199 352 D HN 0.132 nan 8.370 nan 0.000 0.537 353 L N 2.072 123.282 121.223 -0.022 0.000 2.141 353 L HA -0.007 4.333 4.340 0.001 0.000 0.209 353 L C 2.572 179.439 176.870 -0.005 0.000 1.094 353 L CA 0.515 55.344 54.840 -0.018 0.000 0.763 353 L CB -0.156 41.896 42.059 -0.012 0.000 0.908 353 L HN 0.276 nan 8.230 nan 0.000 0.437 354 R N 0.736 121.231 120.500 -0.008 0.000 2.083 354 R HA -0.146 4.194 4.340 0.001 0.000 0.237 354 R C 2.034 178.343 176.300 0.015 0.000 1.137 354 R CA 1.627 57.724 56.100 -0.005 0.000 0.951 354 R CB -0.402 29.877 30.300 -0.035 0.000 0.851 354 R HN 0.378 nan 8.270 nan 0.000 0.434 355 G N -0.314 108.494 108.800 0.014 0.000 2.920 355 G HA2 -0.074 3.887 3.960 0.001 0.000 0.208 355 G HA3 -0.074 3.887 3.960 0.001 0.000 0.208 355 G C -0.169 174.806 174.900 0.124 0.000 1.159 355 G CA -0.097 45.051 45.100 0.080 0.000 0.784 355 G HN 0.394 nan 8.290 nan 0.000 0.535 356 R N -0.845 119.673 120.500 0.029 0.000 3.416 356 R HA -0.145 4.195 4.340 0.001 0.000 0.263 356 R C -0.628 175.592 176.300 -0.134 0.000 1.053 356 R CA 0.420 56.503 56.100 -0.029 0.000 0.705 356 R CB -1.981 28.318 30.300 -0.002 0.000 1.124 356 R HN 0.224 nan 8.270 nan 0.000 0.444 357 I N 0.958 121.439 120.570 -0.148 0.000 2.330 357 I HA 0.412 4.582 4.170 0.001 0.000 0.289 357 I C 1.472 177.497 176.117 -0.154 0.000 1.001 357 I CA 0.776 61.928 61.300 -0.247 0.000 1.193 357 I CB 0.596 38.435 38.000 -0.268 0.000 1.345 357 I HN 0.534 nan 8.210 nan 0.000 0.461 358 G N 7.066 115.770 108.800 -0.161 0.000 2.750 358 G HA2 -0.172 3.788 3.960 0.001 0.000 0.228 358 G HA3 -0.172 3.788 3.960 0.001 0.000 0.228 358 G C -0.385 174.426 174.900 -0.148 0.000 1.367 358 G CA -0.118 44.902 45.100 -0.133 0.000 0.871 358 G HN 1.021 nan 8.290 nan 0.000 0.560 359 R N -1.926 118.467 120.500 -0.179 0.000 2.728 359 R HA 0.646 4.986 4.340 0.001 0.000 0.274 359 R C -3.325 172.830 176.300 -0.242 0.000 1.032 359 R CA -1.435 54.525 56.100 -0.234 0.000 0.866 359 R CB 0.570 30.632 30.300 -0.396 0.000 1.263 359 R HN 0.571 nan 8.270 nan 0.000 0.475 360 P HA 0.154 nan 4.420 nan 0.000 0.272 360 P C -0.332 176.786 177.300 -0.303 0.000 1.230 360 P CA -0.510 62.482 63.100 -0.181 0.000 0.788 360 P CB 0.452 32.098 31.700 -0.090 0.000 0.949 361 L N 1.131 122.257 121.223 -0.162 0.000 2.485 361 L HA 0.114 4.455 4.340 0.001 0.000 0.275 361 L C 0.359 177.206 176.870 -0.039 0.000 1.207 361 L CA 0.147 54.912 54.840 -0.124 0.000 0.855 361 L CB 0.024 42.077 42.059 -0.011 0.000 1.114 361 L HN 0.286 nan 8.230 nan 0.000 0.485 362 W N 0.758 122.072 121.300 0.023 0.000 2.578 362 W HA 0.535 5.196 4.660 0.001 0.000 0.353 362 W C 0.080 176.610 176.519 0.018 0.000 1.088 362 W CA -1.489 55.868 57.345 0.019 0.000 1.235 362 W CB 1.512 30.981 29.460 0.015 0.000 1.362 362 W HN 0.470 nan 8.180 nan 0.000 0.592 363 A N 1.117 124.093 122.820 0.258 0.000 2.546 363 A HA 0.440 4.761 4.320 0.001 0.000 0.243 363 A C 1.129 178.790 177.584 0.129 0.000 1.063 363 A CA 1.449 53.569 52.037 0.140 0.000 0.757 363 A CB -0.487 18.561 19.000 0.080 0.000 0.991 363 A HN 1.609 nan 8.150 nan 0.000 0.503 364 G N 1.984 110.843 108.800 0.099 0.000 2.175 364 G HA2 -0.186 3.774 3.960 0.001 0.000 0.244 364 G HA3 -0.186 3.774 3.960 0.001 0.000 0.244 364 G C -0.081 174.880 174.900 0.101 0.000 0.982 364 G CA 0.243 45.392 45.100 0.082 0.000 0.641 364 G HN 0.840 nan 8.290 nan 0.000 0.527 365 D N 0.432 120.911 120.400 0.131 0.000 2.425 365 D HA 0.434 5.074 4.640 0.001 0.000 0.247 365 D C 0.467 176.809 176.300 0.069 0.000 1.147 365 D CA 0.274 54.342 54.000 0.113 0.000 0.879 365 D CB 1.674 42.538 40.800 0.107 0.000 1.179 365 D HN 0.159 nan 8.370 nan 0.000 0.456 366 V N 4.354 124.299 119.914 0.051 0.000 2.347 366 V HA 0.309 4.430 4.120 0.001 0.000 0.280 366 V C 0.323 176.429 176.094 0.021 0.000 1.021 366 V CA -0.723 61.593 62.300 0.027 0.000 0.847 366 V CB 1.088 32.921 31.823 0.016 0.000 0.990 366 V HN 0.294 nan 8.190 nan 0.000 0.444 367 L N 4.260 125.492 121.223 0.014 0.000 2.322 367 L HA 0.862 5.202 4.340 0.001 0.000 0.279 367 L C 0.722 177.589 176.870 -0.006 0.000 1.036 367 L CA -0.298 54.550 54.840 0.012 0.000 0.807 367 L CB 1.727 43.804 42.059 0.030 0.000 1.226 367 L HN 0.730 nan 8.230 nan 0.000 0.433 368 G N 1.878 110.676 108.800 -0.003 0.000 2.511 368 G HA2 0.668 4.628 3.960 0.001 0.000 0.318 368 G HA3 0.668 4.628 3.960 0.001 0.000 0.318 368 G C -0.815 174.080 174.900 -0.008 0.000 1.210 368 G CA -0.852 44.240 45.100 -0.014 0.000 0.969 368 G HN 0.369 nan 8.290 nan 0.000 0.484 369 L N 0.542 121.755 121.223 -0.016 0.000 2.397 369 L HA 0.212 4.552 4.340 0.001 0.000 0.271 369 L C 1.655 178.524 176.870 -0.002 0.000 1.148 369 L CA -0.459 54.375 54.840 -0.009 0.000 0.825 369 L CB 1.564 43.612 42.059 -0.018 0.000 1.117 369 L HN 0.746 nan 8.230 nan 0.000 0.456 370 E N 2.451 122.653 120.200 0.004 0.000 2.106 370 E HA 0.001 4.352 4.350 0.001 0.000 0.192 370 E C 0.049 176.650 176.600 0.002 0.000 0.984 370 E CA 1.158 57.561 56.400 0.006 0.000 0.806 370 E CB 0.363 30.069 29.700 0.010 0.000 0.750 370 E HN 0.682 nan 8.360 nan 0.000 0.458 371 A N -0.653 122.167 122.820 -0.001 0.000 2.604 371 A HA 0.499 4.819 4.320 0.001 0.000 0.295 371 A C -1.443 176.136 177.584 -0.007 0.000 1.067 371 A CA -0.786 51.249 52.037 -0.003 0.000 0.683 371 A CB 0.841 19.840 19.000 -0.002 0.000 1.281 371 A HN 0.103 nan 8.150 nan 0.000 0.407 372 L N 1.298 122.516 121.223 -0.009 0.000 2.407 372 L HA 0.552 4.892 4.340 0.001 0.000 0.282 372 L C 1.066 177.931 176.870 -0.008 0.000 1.110 372 L CA -0.015 54.818 54.840 -0.011 0.000 0.863 372 L CB 0.235 42.287 42.059 -0.012 0.000 1.207 372 L HN 0.945 nan 8.230 nan 0.000 0.454 373 R N 4.929 125.424 120.500 -0.008 0.000 2.639 373 R HA 0.423 4.764 4.340 0.001 0.000 0.273 373 R C -2.836 173.459 176.300 -0.007 0.000 1.732 373 R CA -1.312 54.784 56.100 -0.007 0.000 1.586 373 R CB -0.357 29.940 30.300 -0.005 0.000 1.263 373 R HN 0.394 nan 8.270 nan 0.000 0.615 374 P HA 0.402 nan 4.420 nan 0.000 0.271 374 P C -0.504 176.794 177.300 -0.003 0.000 1.216 374 P CA -0.179 62.918 63.100 -0.006 0.000 0.776 374 P CB 1.812 33.509 31.700 -0.005 0.000 0.881 375 V N 1.595 121.508 119.914 -0.002 0.000 3.078 375 V HA 0.720 4.841 4.120 0.001 0.000 0.311 375 V C -0.023 176.075 176.094 0.006 0.000 1.138 375 V CA -0.774 61.527 62.300 0.001 0.000 1.007 375 V CB 2.151 33.973 31.823 -0.001 0.000 1.045 375 V HN 0.844 nan 8.190 nan 0.000 0.432 376 R N 5.088 125.595 120.500 0.012 0.000 2.491 376 R HA 0.596 4.937 4.340 0.001 0.000 0.283 376 R C -2.564 173.751 176.300 0.026 0.000 1.072 376 R CA -0.689 55.422 56.100 0.020 0.000 1.048 376 R CB -0.684 29.629 30.300 0.021 0.000 0.983 376 R HN 0.773 nan 8.270 nan 0.000 0.450 377 P HA 0.426 nan 4.420 nan 0.000 0.279 377 P C 0.484 177.823 177.300 0.064 0.000 1.276 377 P CA 0.763 63.893 63.100 0.050 0.000 0.801 377 P CB 1.098 32.837 31.700 0.064 0.000 1.127 378 G N -0.396 108.457 108.800 0.088 0.000 2.137 378 G HA2 -0.215 3.746 3.960 0.001 0.000 0.237 378 G HA3 -0.215 3.746 3.960 0.001 0.000 0.237 378 G C 0.081 175.026 174.900 0.075 0.000 1.002 378 G CA -0.292 44.859 45.100 0.085 0.000 0.702 378 G HN 0.604 nan 8.290 nan 0.000 0.515 379 R N 0.030 120.576 120.500 0.078 0.000 2.410 379 R HA 0.733 5.073 4.340 0.001 0.000 0.288 379 R C 0.226 176.585 176.300 0.098 0.000 1.051 379 R CA 0.484 56.630 56.100 0.077 0.000 1.021 379 R CB 1.437 31.775 30.300 0.063 0.000 1.032 379 R HN 0.828 nan 8.270 nan 0.000 0.481 380 A N 2.775 125.659 122.820 0.107 0.000 2.517 380 A HA 0.583 4.903 4.320 0.001 0.000 0.297 380 A C -1.803 175.879 177.584 0.164 0.000 1.050 380 A CA -0.544 51.563 52.037 0.116 0.000 0.694 380 A CB 1.105 20.150 19.000 0.076 0.000 1.277 380 A HN 0.634 nan 8.150 nan 0.000 0.400 381 F N 3.754 123.696 119.950 -0.013 0.000 2.556 381 F HA 0.731 5.259 4.527 0.001 0.000 0.314 381 F C -2.322 173.453 175.800 -0.042 0.000 1.106 381 F CA -1.836 56.146 58.000 -0.029 0.000 0.911 381 F CB 2.634 41.609 39.000 -0.042 0.000 1.190 381 F HN 0.422 nan 8.300 nan 0.000 0.448 382 P HA 0.150 nan 4.420 nan 0.000 0.275 382 P C -1.555 175.676 177.300 -0.114 0.000 1.227 382 P CA -0.235 62.723 63.100 -0.237 0.000 0.781 382 P CB 1.046 32.561 31.700 -0.307 0.000 0.906 383 Q N 0.693 120.462 119.800 -0.052 0.000 2.235 383 Q HA 0.471 4.812 4.340 0.001 0.000 0.250 383 Q C 0.675 176.684 176.000 0.016 0.000 0.909 383 Q CA -0.593 55.194 55.803 -0.026 0.000 0.910 383 Q CB 0.808 29.496 28.738 -0.083 0.000 1.223 383 Q HN 0.498 nan 8.270 nan 0.000 0.432 384 R N 2.903 123.402 120.500 -0.002 0.000 2.590 384 R HA 0.218 4.558 4.340 0.001 0.000 0.274 384 R C -2.372 174.038 176.300 0.183 0.000 1.061 384 R CA -1.147 54.961 56.100 0.013 0.000 1.081 384 R CB -1.327 28.876 30.300 -0.162 0.000 0.984 384 R HN 0.466 nan 8.270 nan 0.000 0.448 385 P HA 0.146 nan 4.420 nan 0.000 0.271 385 P C -0.913 176.481 177.300 0.156 0.000 1.216 385 P CA -0.570 62.638 63.100 0.180 0.000 0.776 385 P CB 0.837 32.605 31.700 0.113 0.000 0.881 386 L N 5.955 127.190 121.223 0.020 0.000 2.255 386 L HA 0.410 4.751 4.340 0.001 0.000 0.289 386 L C -2.095 174.770 176.870 -0.009 0.000 1.046 386 L CA -2.219 52.529 54.840 -0.152 0.000 0.816 386 L CB 0.247 41.982 42.059 -0.541 0.000 1.197 386 L HN 0.266 nan 8.230 nan 0.000 0.427 387 P HA 0.161 nan 4.420 nan 0.000 0.274 387 P C -0.058 177.303 177.300 0.102 0.000 1.237 387 P CA -0.290 62.856 63.100 0.078 0.000 0.793 387 P CB 0.904 32.658 31.700 0.090 0.000 0.977 388 E N 0.116 120.336 120.200 0.032 0.000 2.150 388 E HA -0.007 4.343 4.350 0.001 0.000 0.193 388 E C 0.707 177.224 176.600 -0.139 0.000 0.985 388 E CA 0.966 57.342 56.400 -0.040 0.000 0.814 388 E CB -0.172 29.506 29.700 -0.037 0.000 0.752 388 E HN 0.584 nan 8.360 nan 0.000 0.466 389 A N 0.827 123.609 122.820 -0.063 0.000 2.342 389 A HA 0.545 4.865 4.320 0.001 0.000 0.323 389 A C -0.919 176.720 177.584 0.092 0.000 1.125 389 A CA -0.590 51.382 52.037 -0.110 0.000 0.785 389 A CB 0.700 19.701 19.000 0.003 0.000 1.221 389 A HN -0.094 nan 8.150 nan 0.000 0.463 390 F N 1.040 120.925 119.950 -0.109 0.000 2.408 390 F HA 0.507 5.034 4.527 0.000 0.000 0.344 390 F C 0.966 176.701 175.800 -0.107 0.000 1.112 390 F CA -0.917 56.988 58.000 -0.158 0.000 1.096 390 F CB 1.375 40.231 39.000 -0.241 0.000 1.129 390 F HN 0.451 nan 8.300 nan 0.000 0.486 391 R N 4.033 124.594 120.500 0.102 0.000 2.229 391 R HA 0.642 4.982 4.340 0.001 0.000 0.332 391 R C -0.455 175.843 176.300 -0.004 0.000 0.989 391 R CA -0.701 55.429 56.100 0.049 0.000 0.842 391 R CB 0.701 31.026 30.300 0.042 0.000 1.119 391 R HN 0.601 nan 8.270 nan 0.000 0.456 392 L N 3.173 124.382 121.223 -0.024 0.000 2.305 392 L HA 0.574 4.915 4.340 0.001 0.000 0.284 392 L C 0.521 177.479 176.870 0.147 0.000 1.013 392 L CA -0.834 54.023 54.840 0.027 0.000 0.819 392 L CB 1.613 43.681 42.059 0.016 0.000 1.227 392 L HN 0.386 nan 8.230 nan 0.000 0.417 393 R N 3.398 123.969 120.500 0.119 0.000 2.442 393 R HA 0.483 4.823 4.340 0.001 0.000 0.291 393 R C -0.762 175.629 176.300 0.153 0.000 1.069 393 R CA -0.235 55.946 56.100 0.134 0.000 1.022 393 R CB 0.740 31.103 30.300 0.106 0.000 0.976 393 R HN 0.493 nan 8.270 nan 0.000 0.443 394 L N 4.554 125.864 121.223 0.144 0.000 2.325 394 L HA 0.495 4.835 4.340 0.001 0.000 0.278 394 L C -0.421 176.607 176.870 0.263 0.000 1.023 394 L CA -0.736 54.171 54.840 0.111 0.000 0.811 394 L CB 1.246 43.205 42.059 -0.166 0.000 1.249 394 L HN 0.395 nan 8.230 nan 0.000 0.431 395 L N 3.441 124.825 121.223 0.268 0.000 2.319 395 L HA 0.569 4.909 4.340 0.001 0.000 0.267 395 L C -2.282 174.791 176.870 0.338 0.000 1.011 395 L CA -2.163 52.837 54.840 0.266 0.000 0.818 395 L CB 1.905 44.055 42.059 0.150 0.000 1.316 395 L HN 0.323 nan 8.230 nan 0.000 0.432 396 P HA 0.055 nan 4.420 nan 0.000 0.267 396 P C -0.259 177.118 177.300 0.128 0.000 1.205 396 P CA 0.041 63.141 63.100 -0.000 0.000 0.765 396 P CB 0.619 32.020 31.700 -0.499 0.000 0.828 397 G N 3.778 112.712 108.800 0.224 0.000 2.535 397 G HA2 0.374 4.334 3.960 0.001 0.000 0.303 397 G HA3 0.374 4.334 3.960 0.001 0.000 0.303 397 G C -1.615 173.352 174.900 0.111 0.000 1.237 397 G CA -1.402 43.794 45.100 0.160 0.000 0.986 397 G HN 0.256 nan 8.290 nan 0.000 0.494 398 P HA -0.030 nan 4.420 nan 0.000 0.226 398 P C 0.411 177.687 177.300 -0.041 0.000 1.153 398 P CA 0.952 63.999 63.100 -0.088 0.000 0.777 398 P CB 0.421 31.871 31.700 -0.418 0.000 0.794 399 Q N -0.634 119.170 119.800 0.006 0.000 2.302 399 Q HA 0.252 4.592 4.340 0.001 0.000 0.332 399 Q C -0.249 175.792 176.000 0.068 0.000 0.913 399 Q CA -0.706 55.110 55.803 0.022 0.000 1.098 399 Q CB -0.975 27.760 28.738 -0.004 0.000 1.236 399 Q HN 0.143 nan 8.270 nan 0.000 0.436 400 F N 1.342 121.275 119.950 -0.029 0.000 2.623 400 F HA 0.187 4.715 4.527 0.000 0.000 0.383 400 F C -0.036 175.751 175.800 -0.023 0.000 1.077 400 F CA -0.059 57.923 58.000 -0.030 0.000 1.268 400 F CB 0.390 39.330 39.000 -0.101 0.000 1.053 400 F HN 0.179 nan 8.300 nan 0.000 0.571 401 A N 5.035 127.364 122.820 -0.818 0.000 2.427 401 A HA 0.526 4.847 4.320 0.001 0.000 0.298 401 A C 0.713 177.769 177.584 -0.880 0.000 1.036 401 A CA -0.217 51.399 52.037 -0.701 0.000 0.701 401 A CB 1.015 19.845 19.000 -0.284 0.000 1.250 401 A HN 1.095 nan 8.150 nan 0.000 0.412 402 G N 0.825 109.201 108.800 -0.708 0.000 2.476 402 G HA2 -0.251 3.709 3.960 0.001 0.000 0.218 402 G HA3 -0.251 3.709 3.960 0.001 0.000 0.218 402 G C 1.168 175.993 174.900 -0.126 0.000 1.164 402 G CA 1.735 46.624 45.100 -0.350 0.000 0.768 402 G HN 0.808 nan 8.290 nan 0.000 0.560 403 E N 1.059 121.192 120.200 -0.112 0.000 2.072 403 E HA 0.061 4.412 4.350 0.001 0.000 0.191 403 E C 2.719 179.303 176.600 -0.027 0.000 0.985 403 E CA 1.489 57.863 56.400 -0.042 0.000 0.801 403 E CB -0.722 28.954 29.700 -0.041 0.000 0.750 403 E HN 0.284 nan 8.360 nan 0.000 0.452 404 A N -0.071 122.710 122.820 -0.064 0.000 1.883 404 A HA -0.175 4.145 4.320 0.001 0.000 0.217 404 A C 2.298 179.878 177.584 -0.007 0.000 1.186 404 A CA 1.590 53.602 52.037 -0.041 0.000 0.624 404 A CB -1.156 17.804 19.000 -0.068 0.000 0.822 404 A HN 0.445 nan 8.150 nan 0.000 0.444 405 F N -0.071 119.781 119.950 -0.164 0.000 2.216 405 F HA -0.121 4.406 4.527 0.001 0.000 0.300 405 F C 2.487 178.289 175.800 0.003 0.000 1.085 405 F CA 1.837 59.794 58.000 -0.071 0.000 1.326 405 F CB -0.031 38.959 39.000 -0.018 0.000 1.027 405 F HN 0.172 nan 8.300 nan 0.000 0.497 406 R N 0.038 120.625 120.500 0.145 0.000 2.073 406 R HA -0.089 4.251 4.340 0.001 0.000 0.229 406 R C 2.362 178.700 176.300 0.064 0.000 1.120 406 R CA 1.092 57.256 56.100 0.106 0.000 0.967 406 R CB -0.504 29.853 30.300 0.095 0.000 0.862 406 R HN 0.307 nan 8.270 nan 0.000 0.436 407 A N 1.303 124.155 122.820 0.052 0.000 1.908 407 A HA -0.152 4.168 4.320 0.001 0.000 0.218 407 A C 2.198 179.882 177.584 0.167 0.000 1.181 407 A CA 1.181 53.266 52.037 0.080 0.000 0.627 407 A CB -0.589 18.453 19.000 0.069 0.000 0.818 407 A HN 0.329 nan 8.150 nan 0.000 0.445 408 L N -0.886 120.389 121.223 0.087 0.000 2.042 408 L HA -0.244 4.096 4.340 0.001 0.000 0.210 408 L C 2.192 179.223 176.870 0.269 0.000 1.076 408 L CA 1.264 56.159 54.840 0.092 0.000 0.749 408 L CB -0.425 41.378 42.059 -0.427 0.000 0.893 408 L HN 0.488 nan 8.230 nan 0.000 0.432 409 C N -0.973 118.383 119.300 0.094 0.000 2.626 409 C HA 0.023 4.484 4.460 0.001 0.000 0.266 409 C C 2.861 177.947 174.990 0.160 0.000 1.317 409 C CA 0.432 59.538 59.018 0.146 0.000 1.716 409 C CB -1.222 26.551 27.740 0.054 0.000 1.819 409 C HN 0.630 nan 8.230 nan 0.000 0.578 410 S N 0.293 116.082 115.700 0.148 0.000 2.453 410 S HA 0.331 4.802 4.470 0.001 0.000 0.231 410 S C 0.839 175.480 174.600 0.068 0.000 1.005 410 S CA 0.917 59.170 58.200 0.088 0.000 0.949 410 S CB 0.083 63.315 63.200 0.053 0.000 0.774 410 S HN 0.705 nan 8.310 nan 0.000 0.510 411 G N 0.677 109.528 108.800 0.085 0.000 2.441 411 G HA2 0.491 4.451 3.960 0.001 0.000 0.294 411 G HA3 0.491 4.451 3.960 0.001 0.000 0.294 411 G C -3.549 171.346 174.900 -0.008 0.000 1.393 411 G CA -0.974 44.148 45.100 0.036 0.000 0.796 411 G HN 0.076 nan 8.290 nan 0.000 0.494 412 P HA 0.486 nan 4.420 nan 0.000 0.271 412 P C -1.056 176.060 177.300 -0.307 0.000 1.216 412 P CA 0.004 62.929 63.100 -0.292 0.000 0.776 412 P CB 0.706 32.199 31.700 -0.345 0.000 0.881 413 F N 1.945 121.741 119.950 -0.257 0.000 2.497 413 F HA 0.512 5.040 4.527 0.001 0.000 0.331 413 F C 1.321 176.998 175.800 -0.205 0.000 1.060 413 F CA -0.508 57.394 58.000 -0.162 0.000 0.989 413 F CB 1.255 40.200 39.000 -0.091 0.000 1.245 413 F HN 0.013 nan 8.300 nan 0.000 0.486 414 R N 0.705 121.237 120.500 0.053 0.000 2.599 414 R HA 0.466 4.806 4.340 0.001 0.000 0.295 414 R C -1.460 174.842 176.300 0.004 0.000 0.963 414 R CA -0.968 55.114 56.100 -0.031 0.000 0.883 414 R CB 1.968 32.236 30.300 -0.053 0.000 1.171 414 R HN 0.365 nan 8.270 nan 0.000 0.450 415 V N 3.289 123.175 119.914 -0.046 0.000 2.450 415 V HA -0.005 4.115 4.120 0.001 0.000 0.281 415 V C 1.403 177.496 176.094 -0.002 0.000 1.019 415 V CA 0.593 62.881 62.300 -0.019 0.000 1.062 415 V CB 0.739 32.535 31.823 -0.044 0.000 0.979 415 V HN 0.952 nan 8.190 nan 0.000 0.477 416 A N 5.117 127.949 122.820 0.020 0.000 1.871 416 A HA 0.493 4.813 4.320 0.001 0.000 0.211 416 A C 1.404 179.000 177.584 0.021 0.000 1.207 416 A CA 1.239 53.286 52.037 0.018 0.000 0.620 416 A CB -0.016 19.000 19.000 0.027 0.000 0.860 416 A HN 0.927 nan 8.150 nan 0.000 0.450 417 R N -0.939 119.579 120.500 0.030 0.000 2.725 417 R HA 0.776 5.117 4.340 0.001 0.000 0.277 417 R C -0.751 175.581 176.300 0.053 0.000 0.987 417 R CA -0.143 55.978 56.100 0.036 0.000 0.901 417 R CB 0.769 31.087 30.300 0.029 0.000 1.207 417 R HN 1.690 nan 8.270 nan 0.000 0.463 418 A N 2.048 124.913 122.820 0.075 0.000 2.437 418 A HA 0.801 5.121 4.320 0.001 0.000 0.293 418 A C -1.449 176.209 177.584 0.124 0.000 1.038 418 A CA 0.009 52.106 52.037 0.100 0.000 0.708 418 A CB 1.401 20.475 19.000 0.123 0.000 1.251 418 A HN 1.216 nan 8.150 nan 0.000 0.409 419 D N 0.678 121.139 120.400 0.102 0.000 3.057 419 D HA 0.303 4.943 4.640 0.001 0.000 0.328 419 D C 0.497 176.849 176.300 0.086 0.000 1.317 419 D CA -0.643 53.420 54.000 0.107 0.000 0.973 419 D CB 0.259 41.103 40.800 0.074 0.000 1.424 419 D HN 0.232 nan 8.370 nan 0.000 0.569 420 R N -0.581 119.963 120.500 0.073 0.000 2.235 420 R HA 0.117 4.457 4.340 0.001 0.000 0.213 420 R C 1.721 178.045 176.300 0.040 0.000 1.059 420 R CA 0.604 56.739 56.100 0.057 0.000 0.997 420 R CB -0.192 30.138 30.300 0.049 0.000 0.884 420 R HN 0.236 nan 8.270 nan 0.000 0.462 421 V N -0.397 119.537 119.914 0.034 0.000 2.407 421 V HA 0.083 4.203 4.120 0.001 0.000 0.245 421 V C 1.178 177.288 176.094 0.026 0.000 1.041 421 V CA 1.522 63.834 62.300 0.020 0.000 1.040 421 V CB 0.145 31.976 31.823 0.013 0.000 0.671 421 V HN 0.546 nan 8.190 nan 0.000 0.455 422 G N -1.439 107.384 108.800 0.038 0.000 2.441 422 G HA2 0.467 4.427 3.960 0.001 0.000 0.294 422 G HA3 0.467 4.427 3.960 0.001 0.000 0.294 422 G C -2.026 172.904 174.900 0.050 0.000 1.393 422 G CA -0.327 44.799 45.100 0.042 0.000 0.796 422 G HN -0.062 nan 8.290 nan 0.000 0.494 423 V N 0.903 120.846 119.914 0.050 0.000 2.350 423 V HA 0.480 4.601 4.120 0.001 0.000 0.285 423 V C 0.109 176.230 176.094 0.045 0.000 1.014 423 V CA -0.616 61.716 62.300 0.053 0.000 0.831 423 V CB 1.237 33.095 31.823 0.059 0.000 1.000 423 V HN 0.782 nan 8.190 nan 0.000 0.433 424 E N 4.163 124.389 120.200 0.044 0.000 2.259 424 E HA 0.468 4.819 4.350 0.001 0.000 0.281 424 E C -1.533 175.097 176.600 0.049 0.000 1.027 424 E CA -0.704 55.721 56.400 0.041 0.000 0.838 424 E CB 1.218 30.942 29.700 0.040 0.000 1.066 424 E HN 0.383 nan 8.360 nan 0.000 0.401 425 L N 4.807 126.069 121.223 0.063 0.000 2.341 425 L HA 0.396 4.737 4.340 0.001 0.000 0.278 425 L C -0.841 176.149 176.870 0.199 0.000 1.005 425 L CA -0.739 54.175 54.840 0.122 0.000 0.818 425 L CB 1.390 43.492 42.059 0.072 0.000 1.259 425 L HN 0.549 nan 8.230 nan 0.000 0.418 426 L N 3.053 124.393 121.223 0.195 0.000 2.313 426 L HA 0.937 5.277 4.340 0.001 0.000 0.283 426 L C 0.111 177.043 176.870 0.103 0.000 1.013 426 L CA 0.507 55.428 54.840 0.135 0.000 0.816 426 L CB 1.115 43.201 42.059 0.045 0.000 1.236 426 L HN 0.704 nan 8.230 nan 0.000 0.419 427 G N 3.834 112.622 108.800 -0.020 0.000 2.392 427 G HA2 0.237 4.197 3.960 0.001 0.000 0.260 427 G HA3 0.237 4.197 3.960 0.001 0.000 0.260 427 G C -3.050 171.588 174.900 -0.437 0.000 1.226 427 G CA -0.640 44.189 45.100 -0.451 0.000 0.913 427 G HN 0.410 nan 8.290 nan 0.000 0.483 428 P HA 0.211 nan 4.420 nan 0.000 0.264 428 P C -0.119 177.145 177.300 -0.060 0.000 1.183 428 P CA 0.244 63.154 63.100 -0.316 0.000 0.763 428 P CB 0.536 32.044 31.700 -0.320 0.000 0.807 429 E N 2.021 122.208 120.200 -0.020 0.000 2.465 429 E HA 0.124 4.474 4.350 0.001 0.000 0.260 429 E C -0.996 175.640 176.600 0.059 0.000 0.980 429 E CA -0.097 56.320 56.400 0.027 0.000 0.927 429 E CB 0.355 30.055 29.700 0.001 0.000 0.934 429 E HN 0.109 nan 8.360 nan 0.000 0.459 430 V N 7.418 127.376 119.914 0.072 0.000 2.531 430 V HA 0.326 4.447 4.120 0.001 0.000 0.301 430 V C -2.096 174.002 176.094 0.006 0.000 1.034 430 V CA -1.709 60.622 62.300 0.052 0.000 0.865 430 V CB 1.521 33.384 31.823 0.067 0.000 0.995 430 V HN 0.754 nan 8.190 nan 0.000 0.424 431 P HA 0.326 nan 4.420 nan 0.000 0.271 431 P C 0.018 177.298 177.300 -0.034 0.000 1.216 431 P CA 0.412 63.498 63.100 -0.024 0.000 0.771 431 P CB 1.422 33.105 31.700 -0.028 0.000 0.864 432 G N 0.716 109.494 108.800 -0.037 0.000 3.175 432 G HA2 0.812 4.773 3.960 0.001 0.000 0.255 432 G HA3 0.812 4.773 3.960 0.001 0.000 0.255 432 G C -0.787 174.099 174.900 -0.023 0.000 1.352 432 G CA -0.714 44.361 45.100 -0.042 0.000 1.037 432 G HN 0.754 nan 8.290 nan 0.000 0.556 433 G N -1.536 107.263 108.800 -0.002 0.000 2.466 433 G HA2 0.521 4.481 3.960 0.001 0.000 0.291 433 G HA3 0.521 4.481 3.960 0.001 0.000 0.291 433 G C -2.009 172.965 174.900 0.124 0.000 1.460 433 G CA -0.429 44.693 45.100 0.037 0.000 0.791 433 G HN 0.604 nan 8.290 nan 0.000 0.505 434 E N -0.652 119.625 120.200 0.128 0.000 2.290 434 E HA 0.645 4.996 4.350 0.001 0.000 0.274 434 E C -0.105 176.531 176.600 0.060 0.000 0.889 434 E CA -0.569 55.937 56.400 0.175 0.000 0.760 434 E CB 2.056 31.905 29.700 0.248 0.000 1.206 434 E HN 0.964 nan 8.360 nan 0.000 0.419 435 G N 2.692 111.507 108.800 0.024 0.000 3.021 435 G HA2 0.385 4.345 3.960 0.001 0.000 0.290 435 G HA3 0.385 4.345 3.960 0.001 0.000 0.290 435 G C -0.788 174.072 174.900 -0.066 0.000 1.291 435 G CA -0.868 44.213 45.100 -0.031 0.000 0.834 435 G HN 0.486 nan 8.290 nan 0.000 0.564 436 L N 1.192 122.341 121.223 -0.123 0.000 2.543 436 L HA 0.103 4.444 4.340 0.001 0.000 0.285 436 L C 0.891 177.741 176.870 -0.033 0.000 1.236 436 L CA 0.020 54.745 54.840 -0.193 0.000 0.871 436 L CB 0.715 42.528 42.059 -0.411 0.000 1.121 436 L HN 0.363 nan 8.230 nan 0.000 0.501 437 S N 2.210 117.971 115.700 0.101 0.000 2.549 437 S HA 0.135 4.606 4.470 0.001 0.000 0.286 437 S C -0.135 174.664 174.600 0.331 0.000 1.314 437 S CA -0.403 57.955 58.200 0.264 0.000 1.062 437 S CB 0.410 63.883 63.200 0.455 0.000 0.865 437 S HN 0.610 nan 8.310 nan 0.000 0.498 438 E N 2.367 122.708 120.200 0.235 0.000 2.416 438 E HA 0.563 4.914 4.350 0.001 0.000 0.273 438 E C -3.288 173.430 176.600 0.198 0.000 0.935 438 E CA -2.821 53.728 56.400 0.248 0.000 0.784 438 E CB 0.942 30.755 29.700 0.189 0.000 1.301 438 E HN 0.153 nan 8.360 nan 0.000 0.454 439 P HA 0.014 nan 4.420 nan 0.000 0.265 439 P C -0.500 176.767 177.300 -0.055 0.000 1.193 439 P CA 0.102 63.253 63.100 0.085 0.000 0.765 439 P CB 0.391 32.164 31.700 0.122 0.000 0.823 440 T N 1.893 116.401 114.554 -0.078 0.000 2.832 440 T HA 0.436 4.786 4.350 0.001 0.000 0.296 440 T C -2.309 172.255 174.700 -0.227 0.000 0.968 440 T CA -1.888 60.154 62.100 -0.097 0.000 1.107 440 T CB 0.256 69.100 68.868 -0.041 0.000 0.916 440 T HN 0.204 nan 8.240 nan 0.000 0.517 441 P HA 0.367 nan 4.420 nan 0.000 0.290 441 P C -0.595 176.720 177.300 0.025 0.000 1.275 441 P CA -1.068 61.943 63.100 -0.148 0.000 0.841 441 P CB 0.903 32.563 31.700 -0.067 0.000 1.042 442 L N 2.513 123.790 121.223 0.088 0.000 2.410 442 L HA 0.376 4.716 4.340 0.001 0.000 0.273 442 L C 1.404 178.313 176.870 0.064 0.000 1.144 442 L CA 1.679 56.559 54.840 0.068 0.000 0.863 442 L CB -0.877 41.225 42.059 0.071 0.000 1.140 442 L HN 0.858 nan 8.230 nan 0.000 0.463 443 G N 2.616 111.447 108.800 0.051 0.000 2.157 443 G HA2 -0.213 3.747 3.960 0.001 0.000 0.248 443 G HA3 -0.213 3.747 3.960 0.001 0.000 0.248 443 G C 0.602 175.531 174.900 0.047 0.000 0.979 443 G CA -0.047 45.084 45.100 0.052 0.000 0.650 443 G HN 1.195 nan 8.290 nan 0.000 0.529 444 G N -0.468 108.358 108.800 0.044 0.000 2.340 444 G HA2 0.496 4.456 3.960 0.001 0.000 0.245 444 G HA3 0.496 4.456 3.960 0.001 0.000 0.245 444 G C 0.255 175.163 174.900 0.013 0.000 1.294 444 G CA 0.389 45.512 45.100 0.037 0.000 0.896 444 G HN 1.009 nan 8.290 nan 0.000 0.522 445 V N 3.804 123.708 119.914 -0.016 0.000 2.304 445 V HA 0.161 4.282 4.120 0.001 0.000 0.262 445 V C 0.534 176.603 176.094 -0.042 0.000 1.061 445 V CA -0.257 61.999 62.300 -0.072 0.000 0.872 445 V CB 0.662 32.362 31.823 -0.205 0.000 1.077 445 V HN 0.828 nan 8.190 nan 0.000 0.480 446 Q N 4.084 123.879 119.800 -0.009 0.000 2.274 446 Q HA 0.530 4.870 4.340 0.001 0.000 0.256 446 Q C -1.286 174.711 176.000 -0.005 0.000 0.927 446 Q CA -0.337 55.485 55.803 0.031 0.000 0.939 446 Q CB 1.607 30.396 28.738 0.085 0.000 1.201 446 Q HN 0.586 nan 8.270 nan 0.000 0.426 447 V N 7.616 127.521 119.914 -0.015 0.000 2.409 447 V HA 0.413 4.534 4.120 0.001 0.000 0.290 447 V C -2.187 173.826 176.094 -0.134 0.000 1.017 447 V CA -1.600 60.657 62.300 -0.072 0.000 0.841 447 V CB 1.210 32.996 31.823 -0.061 0.000 1.003 447 V HN 0.814 nan 8.190 nan 0.000 0.426 448 P HA 0.329 nan 4.420 nan 0.000 0.276 448 P C -2.351 174.787 177.300 -0.270 0.000 1.261 448 P CA -1.765 60.976 63.100 -0.597 0.000 0.800 448 P CB 0.901 31.955 31.700 -1.077 0.000 1.066 449 P HA -0.115 nan 4.420 nan 0.000 0.216 449 P C 0.336 177.592 177.300 -0.074 0.000 1.153 449 P CA 1.845 64.898 63.100 -0.078 0.000 0.858 449 P CB -0.166 31.518 31.700 -0.026 0.000 0.789 450 S N -1.507 114.137 115.700 -0.092 0.000 2.524 450 S HA 0.720 5.190 4.470 0.001 0.000 0.227 450 S C -0.164 174.389 174.600 -0.078 0.000 1.304 450 S CA -0.272 57.892 58.200 -0.060 0.000 1.185 450 S CB 0.960 64.145 63.200 -0.026 0.000 1.104 450 S HN 0.328 nan 8.310 nan 0.000 0.475 451 G N 2.105 110.859 108.800 -0.078 0.000 2.322 451 G HA2 0.414 4.375 3.960 0.001 0.000 0.295 451 G HA3 0.414 4.375 3.960 0.001 0.000 0.295 451 G C -1.650 173.223 174.900 -0.046 0.000 1.369 451 G CA -1.153 43.906 45.100 -0.069 0.000 0.821 451 G HN 0.626 nan 8.290 nan 0.000 0.536 452 R N 0.432 120.919 120.500 -0.021 0.000 2.490 452 R HA 0.452 4.792 4.340 0.001 0.000 0.278 452 R C -2.331 173.966 176.300 -0.004 0.000 1.069 452 R CA -1.239 54.871 56.100 0.017 0.000 1.080 452 R CB 0.745 31.067 30.300 0.037 0.000 1.030 452 R HN 0.238 nan 8.270 nan 0.000 0.491 453 P HA -0.034 nan 4.420 nan 0.000 0.265 453 P C -1.160 176.129 177.300 -0.019 0.000 1.193 453 P CA -0.034 63.041 63.100 -0.043 0.000 0.765 453 P CB 0.495 32.122 31.700 -0.121 0.000 0.823 454 L N 5.020 126.236 121.223 -0.013 0.000 2.343 454 L HA 0.352 4.692 4.340 0.001 0.000 0.278 454 L C -1.001 175.877 176.870 0.013 0.000 0.996 454 L CA -0.638 54.211 54.840 0.015 0.000 0.831 454 L CB 1.757 43.839 42.059 0.037 0.000 1.232 454 L HN 0.024 nan 8.230 nan 0.000 0.413 455 V N 6.409 126.338 119.914 0.024 0.000 2.432 455 V HA 0.269 4.389 4.120 0.001 0.000 0.271 455 V C 0.344 176.459 176.094 0.035 0.000 1.046 455 V CA -0.394 61.925 62.300 0.031 0.000 0.945 455 V CB 0.986 32.844 31.823 0.059 0.000 0.992 455 V HN 0.574 nan 8.190 nan 0.000 0.471 456 L N 6.753 127.995 121.223 0.031 0.000 2.290 456 L HA 0.477 4.817 4.340 0.001 0.000 0.284 456 L C 0.014 176.902 176.870 0.030 0.000 1.078 456 L CA 0.066 54.923 54.840 0.028 0.000 0.815 456 L CB 0.626 42.698 42.059 0.022 0.000 1.162 456 L HN 0.487 nan 8.230 nan 0.000 0.435 457 L N 1.710 122.951 121.223 0.029 0.000 2.464 457 L HA 0.544 4.884 4.340 0.001 0.000 0.264 457 L C 1.552 178.437 176.870 0.025 0.000 1.062 457 L CA -0.618 54.242 54.840 0.033 0.000 0.935 457 L CB 0.843 42.926 42.059 0.040 0.000 1.603 457 L HN 0.648 nan 8.230 nan 0.000 0.528 458 A N -0.558 122.279 122.820 0.029 0.000 1.978 458 A HA -0.177 4.143 4.320 0.001 0.000 0.220 458 A C 1.217 178.801 177.584 -0.000 0.000 1.170 458 A CA 1.919 53.966 52.037 0.017 0.000 0.636 458 A CB -0.534 18.478 19.000 0.020 0.000 0.810 458 A HN 0.765 nan 8.150 nan 0.000 0.448 459 D N -0.183 120.218 120.400 0.002 0.000 2.325 459 D HA 0.079 4.720 4.640 0.001 0.000 0.225 459 D C 0.456 176.741 176.300 -0.025 0.000 1.096 459 D CA 0.065 54.059 54.000 -0.012 0.000 0.844 459 D CB -0.059 40.739 40.800 -0.002 0.000 0.925 459 D HN 0.715 nan 8.370 nan 0.000 0.513 460 K N 0.166 120.553 120.400 -0.022 0.000 2.469 460 K HA 0.210 4.530 4.320 0.001 0.000 0.274 460 K C 0.777 177.330 176.600 -0.080 0.000 0.983 460 K CA -0.231 56.032 56.287 -0.040 0.000 0.974 460 K CB 0.503 32.989 32.500 -0.023 0.000 0.913 460 K HN -0.097 nan 8.250 nan 0.000 0.493 461 G N 1.387 110.108 108.800 -0.132 0.000 2.491 461 G HA2 -0.007 3.953 3.960 0.001 0.000 0.238 461 G HA3 -0.007 3.953 3.960 0.001 0.000 0.238 461 G C 0.434 175.235 174.900 -0.164 0.000 1.277 461 G CA -0.668 44.303 45.100 -0.216 0.000 0.851 461 G HN 0.673 nan 8.290 nan 0.000 0.573 462 S N 0.377 115.979 115.700 -0.164 0.000 2.428 462 S HA 0.064 4.534 4.470 0.001 0.000 0.230 462 S C 0.929 175.496 174.600 -0.056 0.000 1.014 462 S CA 0.541 58.685 58.200 -0.092 0.000 0.957 462 S CB -0.198 62.946 63.200 -0.094 0.000 0.784 462 S HN 0.367 nan 8.310 nan 0.000 0.499 463 L N -0.081 121.096 121.223 -0.077 0.000 2.341 463 L HA 0.767 5.107 4.340 0.001 0.000 0.267 463 L C -0.049 176.870 176.870 0.082 0.000 1.009 463 L CA -0.712 54.160 54.840 0.055 0.000 0.819 463 L CB 2.184 44.337 42.059 0.156 0.000 1.323 463 L HN 0.148 nan 8.230 nan 0.000 0.425 464 G N -0.395 108.494 108.800 0.148 0.000 2.755 464 G HA2 0.447 4.407 3.960 0.001 0.000 0.297 464 G HA3 0.447 4.407 3.960 0.001 0.000 0.297 464 G C 0.027 174.983 174.900 0.092 0.000 1.441 464 G CA 0.027 45.204 45.100 0.130 0.000 0.964 464 G HN 0.728 nan 8.290 nan 0.000 0.540 465 G N -0.316 108.480 108.800 -0.006 0.000 2.744 465 G HA2 0.230 4.191 3.960 0.001 0.000 0.211 465 G HA3 0.230 4.191 3.960 0.001 0.000 0.211 465 G C 0.190 175.102 174.900 0.021 0.000 1.146 465 G CA 0.151 45.230 45.100 -0.035 0.000 0.787 465 G HN 0.443 nan 8.290 nan 0.000 0.534 466 Y N 1.115 121.455 120.300 0.067 0.000 2.397 466 Y HA 0.499 5.049 4.550 0.001 0.000 0.335 466 Y C 0.974 176.884 175.900 0.017 0.000 1.213 466 Y CA -1.416 56.707 58.100 0.039 0.000 1.391 466 Y CB 0.538 39.025 38.460 0.045 0.000 1.293 466 Y HN 0.142 nan 8.280 nan 0.000 0.557 467 A N 3.684 126.612 122.820 0.180 0.000 2.445 467 A HA 0.331 4.652 4.320 0.001 0.000 0.242 467 A C -0.109 177.509 177.584 0.056 0.000 1.075 467 A CA -0.518 51.564 52.037 0.076 0.000 0.777 467 A CB -0.045 18.978 19.000 0.039 0.000 1.013 467 A HN 0.771 nan 8.150 nan 0.000 0.493 468 K N 3.195 123.613 120.400 0.030 0.000 2.540 468 K HA 0.267 4.588 4.320 0.001 0.000 0.218 468 K C -2.327 174.301 176.600 0.046 0.000 1.017 468 K CA -1.502 54.802 56.287 0.029 0.000 1.029 468 K CB 1.824 34.341 32.500 0.028 0.000 1.348 468 K HN 0.461 nan 8.250 nan 0.000 0.508 469 P HA -0.115 nan 4.420 nan 0.000 0.223 469 P C -0.135 177.316 177.300 0.252 0.000 1.151 469 P CA 0.751 63.913 63.100 0.103 0.000 0.787 469 P CB 0.440 32.161 31.700 0.034 0.000 0.788 470 A N -0.654 122.262 122.820 0.161 0.000 2.566 470 A HA 0.734 5.055 4.320 0.001 0.000 0.292 470 A C -1.387 176.255 177.584 0.097 0.000 1.112 470 A CA -0.689 51.477 52.037 0.215 0.000 0.707 470 A CB 1.012 20.022 19.000 0.017 0.000 1.302 470 A HN -0.026 nan 8.150 nan 0.000 0.409 471 L N 0.954 122.253 121.223 0.126 0.000 2.386 471 L HA 0.496 4.836 4.340 0.001 0.000 0.271 471 L C -0.638 176.277 176.870 0.074 0.000 0.993 471 L CA -1.161 53.732 54.840 0.090 0.000 0.819 471 L CB 1.960 44.095 42.059 0.126 0.000 1.294 471 L HN 0.447 nan 8.230 nan 0.000 0.414 472 V N 1.601 121.551 119.914 0.059 0.000 2.572 472 V HA -0.032 4.088 4.120 0.001 0.000 0.291 472 V C 0.525 176.671 176.094 0.086 0.000 1.039 472 V CA -0.154 62.198 62.300 0.087 0.000 1.055 472 V CB 0.880 32.761 31.823 0.097 0.000 0.969 472 V HN 0.718 nan 8.190 nan 0.000 0.482 473 D N 7.996 128.453 120.400 0.094 0.000 2.586 473 D HA -0.025 4.616 4.640 0.001 0.000 0.234 473 D C -1.200 175.144 176.300 0.073 0.000 1.132 473 D CA -1.000 53.051 54.000 0.086 0.000 0.860 473 D CB 1.654 42.507 40.800 0.089 0.000 1.159 473 D HN 0.302 nan 8.370 nan 0.000 0.490 474 P HA -0.144 nan 4.420 nan 0.000 0.219 474 P C 1.013 178.364 177.300 0.085 0.000 1.146 474 P CA 1.000 64.135 63.100 0.057 0.000 0.808 474 P CB 0.172 31.887 31.700 0.024 0.000 0.779 475 R N -0.387 120.170 120.500 0.094 0.000 2.237 475 R HA -0.056 4.284 4.340 0.001 0.000 0.219 475 R C 0.944 177.384 176.300 0.232 0.000 1.080 475 R CA 0.953 57.137 56.100 0.140 0.000 0.995 475 R CB -0.350 30.016 30.300 0.110 0.000 0.875 475 R HN 0.224 nan 8.270 nan 0.000 0.462 476 D N -0.243 120.233 120.400 0.126 0.000 2.398 476 D HA 0.060 4.700 4.640 0.001 0.000 0.210 476 D C 1.511 177.731 176.300 -0.134 0.000 1.094 476 D CA 0.044 54.035 54.000 -0.015 0.000 0.839 476 D CB 0.344 41.119 40.800 -0.042 0.000 0.963 476 D HN 0.115 nan 8.370 nan 0.000 0.506 477 L N 1.223 122.456 121.223 0.017 0.000 2.079 477 L HA -0.126 4.214 4.340 0.001 0.000 0.210 477 L C 2.553 179.406 176.870 -0.029 0.000 1.081 477 L CA 1.055 55.896 54.840 0.002 0.000 0.752 477 L CB -0.311 41.787 42.059 0.064 0.000 0.896 477 L HN 0.321 nan 8.230 nan 0.000 0.433 478 W N -0.003 121.252 121.300 -0.076 0.000 2.342 478 W HA -0.209 4.451 4.660 0.000 0.000 0.297 478 W C 1.742 178.165 176.519 -0.159 0.000 1.213 478 W CA 0.641 57.936 57.345 -0.084 0.000 1.251 478 W CB -1.279 28.141 29.460 -0.067 0.000 1.136 478 W HN 0.141 nan 8.180 nan 0.000 0.526 479 L N 1.110 121.588 121.223 -1.241 0.000 2.043 479 L HA -0.257 4.083 4.340 0.001 0.000 0.212 479 L C 2.877 179.253 176.870 -0.824 0.000 1.075 479 L CA 1.531 55.467 54.840 -1.507 0.000 0.752 479 L CB -1.000 40.019 42.059 -1.734 0.000 0.891 479 L HN -0.048 nan 8.230 nan 0.000 0.432 480 L N -0.527 120.444 121.223 -0.420 0.000 2.275 480 L HA -0.086 4.254 4.340 0.001 0.000 0.215 480 L C 2.512 179.367 176.870 -0.026 0.000 1.119 480 L CA 0.828 55.600 54.840 -0.112 0.000 0.790 480 L CB -0.920 41.113 42.059 -0.043 0.000 0.919 480 L HN 0.320 nan 8.230 nan 0.000 0.443 481 G N -1.039 107.741 108.800 -0.033 0.000 2.509 481 G HA2 -0.164 3.797 3.960 0.001 0.000 0.218 481 G HA3 -0.164 3.797 3.960 0.001 0.000 0.218 481 G C 1.373 176.312 174.900 0.065 0.000 1.124 481 G CA 0.236 45.371 45.100 0.059 0.000 0.776 481 G HN 0.290 nan 8.290 nan 0.000 0.547 482 Q N -0.157 119.647 119.800 0.007 0.000 2.179 482 Q HA 0.401 4.741 4.340 0.001 0.000 0.213 482 Q C 0.749 176.824 176.000 0.125 0.000 0.833 482 Q CA -0.181 55.646 55.803 0.040 0.000 0.990 482 Q CB 0.964 29.693 28.738 -0.015 0.000 1.132 482 Q HN 0.373 nan 8.270 nan 0.000 0.493 483 A N 2.226 125.147 122.820 0.167 0.000 2.407 483 A HA 0.516 4.836 4.320 0.001 0.000 0.248 483 A C 0.378 178.018 177.584 0.094 0.000 1.082 483 A CA -0.157 52.011 52.037 0.219 0.000 0.785 483 A CB 0.329 19.456 19.000 0.212 0.000 1.020 483 A HN 0.349 nan 8.150 nan 0.000 0.489 484 R N 1.083 121.606 120.500 0.038 0.000 2.739 484 R HA 0.611 4.952 4.340 0.001 0.000 0.271 484 R C -3.344 172.976 176.300 0.033 0.000 1.010 484 R CA -1.976 54.179 56.100 0.091 0.000 0.897 484 R CB 0.819 31.170 30.300 0.085 0.000 1.236 484 R HN 0.331 nan 8.270 nan 0.000 0.466 485 P HA 0.013 nan 4.420 nan 0.000 0.263 485 P C 0.542 177.830 177.300 -0.021 0.000 1.175 485 P CA 1.892 65.002 63.100 0.017 0.000 0.761 485 P CB 0.654 32.371 31.700 0.028 0.000 0.794 486 G N 1.141 109.910 108.800 -0.051 0.000 2.254 486 G HA2 -0.227 3.733 3.960 0.001 0.000 0.225 486 G HA3 -0.227 3.733 3.960 0.001 0.000 0.225 486 G C 0.108 174.928 174.900 -0.133 0.000 1.003 486 G CA -0.165 44.890 45.100 -0.075 0.000 0.622 486 G HN 0.550 nan 8.290 nan 0.000 0.507 487 V N 2.100 121.900 119.914 -0.190 0.000 2.585 487 V HA 0.325 4.446 4.120 0.001 0.000 0.296 487 V C 0.917 176.810 176.094 -0.335 0.000 1.035 487 V CA 0.422 62.517 62.300 -0.342 0.000 1.084 487 V CB 1.481 32.962 31.823 -0.569 0.000 0.953 487 V HN 0.481 nan 8.190 nan 0.000 0.483 488 E N 4.778 124.778 120.200 -0.333 0.000 2.338 488 E HA 0.432 4.782 4.350 0.001 0.000 0.272 488 E C -0.933 175.447 176.600 -0.365 0.000 1.029 488 E CA -0.369 55.850 56.400 -0.301 0.000 0.872 488 E CB 0.740 30.302 29.700 -0.229 0.000 1.015 488 E HN 0.582 nan 8.360 nan 0.000 0.417 489 I N 3.951 124.298 120.570 -0.372 0.000 2.466 489 I HA 0.244 4.414 4.170 0.001 0.000 0.289 489 I C -1.049 174.762 176.117 -0.510 0.000 1.026 489 I CA -0.760 60.309 61.300 -0.385 0.000 1.078 489 I CB 1.614 39.373 38.000 -0.402 0.000 1.249 489 I HN 0.587 nan 8.210 nan 0.000 0.429 490 H N 5.407 124.332 119.070 -0.241 0.000 2.539 490 H HA 0.468 5.025 4.556 0.001 0.000 0.332 490 H C -1.092 174.087 175.328 -0.248 0.000 1.031 490 H CA -0.384 55.571 56.048 -0.155 0.000 1.206 490 H CB 1.241 30.972 29.762 -0.053 0.000 1.446 490 H HN 0.272 nan 8.280 nan 0.000 0.496 491 F N 1.792 121.821 119.950 0.131 0.000 2.394 491 F HA 0.398 4.925 4.527 0.001 0.000 0.340 491 F C 0.930 176.750 175.800 0.033 0.000 1.105 491 F CA -0.534 57.480 58.000 0.024 0.000 1.124 491 F CB 1.401 40.350 39.000 -0.085 0.000 1.145 491 F HN 0.469 nan 8.300 nan 0.000 0.505 492 T N -1.161 113.520 114.554 0.211 0.000 2.901 492 T HA 0.838 5.188 4.350 0.001 0.000 0.293 492 T C -0.460 174.316 174.700 0.126 0.000 1.084 492 T CA -0.739 61.444 62.100 0.138 0.000 1.008 492 T CB 1.770 70.703 68.868 0.108 0.000 1.170 492 T HN 0.677 nan 8.240 nan 0.000 0.509 493 S N 0.000 115.787 115.700 0.145 0.000 2.498 493 S HA 0.000 4.470 4.470 0.001 0.000 0.327 493 S CA 0.000 58.329 58.200 0.215 0.000 1.107 493 S CB 0.000 63.449 63.200 0.416 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517