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 1w91_1_E DATA FIRST_RESID 4 DATA SEQUENCE VNVPSNGREK FKKNWKFCVG TGRLGLALQK EYLDHLKLVQ EKIGFRYIRG DATA SEQUENCE HGLLSDDVGI YREVEIDGEM KPFYNFTYID RIVDSYLALN IRPFIEFGFM DATA SEQUENCE PKALASGDQT VFYWKGNVTP PKDYNKWRDL IVAVVSHFIE RYGIEEVRTW DATA SEQUENCE LFEVWNEPNL VNFWKDANKQ EYFKLYEVTA RAVKSVDPHL QVGGPAICGG DATA SEQUENCE SDEWITDFLH FCAERRVPVD FVSRHAYTSK APHKKTFEYY YQELEPPEDM DATA SEQUENCE LEQFKTVRAL IRQSPFPHLP LHITEYNTSY SPINPVHDTA LNAAYIARIL DATA SEQUENCE SEGGDYVDSF SYWTFSDVFE EMDVPKALFH GGFGLVALHS IPKPTFHAFT DATA SEQUENCE FFNALGDELL YRDGEMIVTR RKDGSIAAVL WNLVMEKGEG LTKEVQLVIP DATA SEQUENCE VSFSAVFIKR QIVNEQYGNA WRVWKQMGRP RFPSRQAVET LRQVAQPHVM DATA SEQUENCE TEQRRATDGV IHLSIVLSKN EVTLIEIEQV RDETSTYVGL DDGEITSYS 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 175.914 176.094 -0.299 0.000 1.182 4 V CA 0.000 62.122 62.300 -0.297 0.000 1.235 4 V CB 0.000 31.560 31.823 -0.439 0.000 1.184 5 N N 2.906 121.442 118.700 -0.273 0.000 2.434 5 N HA 0.478 5.219 4.740 0.000 0.000 0.272 5 N C -0.469 174.872 175.510 -0.282 0.000 1.040 5 N CA -0.233 52.681 53.050 -0.226 0.000 0.956 5 N CB 2.551 40.957 38.487 -0.135 0.000 1.108 5 N HN 0.443 nan 8.380 nan 0.000 0.481 6 V N 4.685 124.452 119.914 -0.244 0.000 2.364 6 V HA 0.260 4.380 4.120 0.000 0.000 0.272 6 V C -1.901 174.139 176.094 -0.091 0.000 1.036 6 V CA -1.616 60.575 62.300 -0.182 0.000 0.880 6 V CB 1.084 32.807 31.823 -0.166 0.000 0.991 6 V HN 0.495 nan 8.190 nan 0.000 0.460 7 P HA 0.173 nan 4.420 nan 0.000 0.269 7 P C 0.867 178.157 177.300 -0.016 0.000 1.215 7 P CA 0.023 63.115 63.100 -0.014 0.000 0.780 7 P CB 0.724 32.438 31.700 0.022 0.000 0.898 8 S N 0.257 115.944 115.700 -0.021 0.000 2.423 8 S HA -0.014 4.456 4.470 0.000 0.000 0.231 8 S C 0.649 175.250 174.600 0.002 0.000 1.014 8 S CA 0.958 59.146 58.200 -0.020 0.000 0.965 8 S CB -0.452 62.732 63.200 -0.026 0.000 0.785 8 S HN 0.490 nan 8.310 nan 0.000 0.495 9 N N -1.006 117.701 118.700 0.011 0.000 2.229 9 N HA 0.392 5.132 4.740 0.000 0.000 0.298 9 N C 0.448 175.976 175.510 0.031 0.000 1.114 9 N CA -0.113 52.950 53.050 0.022 0.000 0.776 9 N CB 1.947 40.445 38.487 0.019 0.000 1.501 9 N HN 0.203 nan 8.380 nan 0.000 0.474 10 G N 0.017 108.840 108.800 0.038 0.000 2.600 10 G HA2 0.089 4.049 3.960 0.000 0.000 0.225 10 G HA3 0.089 4.049 3.960 0.000 0.000 0.225 10 G C 0.767 175.692 174.900 0.043 0.000 1.623 10 G CA 0.520 45.647 45.100 0.046 0.000 0.903 10 G HN 0.642 nan 8.290 nan 0.000 0.574 11 R N -0.914 119.613 120.500 0.044 0.000 1.225 11 R HA -0.127 4.213 4.340 0.000 0.000 0.035 11 R C 0.213 176.541 176.300 0.048 0.000 0.956 11 R CA 1.186 57.311 56.100 0.041 0.000 1.982 11 R CB -1.538 28.783 30.300 0.034 0.000 0.201 11 R HN 0.508 nan 8.270 nan 0.000 0.728 12 E N 2.437 122.668 120.200 0.051 0.000 2.392 12 E HA 0.081 4.431 4.350 0.000 0.000 0.264 12 E C -0.205 176.448 176.600 0.088 0.000 1.024 12 E CA 0.231 56.669 56.400 0.062 0.000 0.903 12 E CB 0.636 30.372 29.700 0.058 0.000 0.963 12 E HN 0.041 nan 8.360 nan 0.000 0.432 13 K N 2.015 122.472 120.400 0.096 0.000 2.110 13 K HA 0.252 4.572 4.320 0.000 0.000 0.263 13 K C -0.334 176.388 176.600 0.202 0.000 0.975 13 K CA -0.673 55.692 56.287 0.129 0.000 0.895 13 K CB 0.659 33.215 32.500 0.094 0.000 1.060 13 K HN 0.344 nan 8.250 nan 0.000 0.448 14 F N 2.716 122.720 119.950 0.090 0.000 2.421 14 F HA 0.218 4.745 4.527 0.000 0.000 0.358 14 F C 0.137 176.043 175.800 0.177 0.000 1.115 14 F CA -0.579 57.496 58.000 0.125 0.000 1.160 14 F CB 0.456 39.533 39.000 0.128 0.000 1.123 14 F HN 0.295 nan 8.300 nan 0.000 0.508 15 K N 4.828 125.009 120.400 -0.365 0.000 2.107 15 K HA 0.245 4.565 4.320 0.000 0.000 0.251 15 K C 0.403 176.839 176.600 -0.274 0.000 1.012 15 K CA -0.601 55.547 56.287 -0.231 0.000 0.920 15 K CB 0.926 33.356 32.500 -0.117 0.000 1.033 15 K HN 0.541 nan 8.250 nan 0.000 0.478 16 K N 1.194 121.531 120.400 -0.105 0.000 2.469 16 K HA 0.047 4.367 4.320 0.000 0.000 0.201 16 K C 0.351 176.772 176.600 -0.299 0.000 1.028 16 K CA 0.017 56.197 56.287 -0.178 0.000 1.170 16 K CB 0.067 32.489 32.500 -0.131 0.000 0.874 16 K HN 0.397 nan 8.250 nan 0.000 0.507 17 N N 0.762 119.403 118.700 -0.099 0.000 2.381 17 N HA -0.171 4.569 4.740 0.000 0.000 0.182 17 N C 1.116 176.570 175.510 -0.095 0.000 1.025 17 N CA 0.795 53.833 53.050 -0.021 0.000 0.888 17 N CB -0.093 38.464 38.487 0.116 0.000 0.965 17 N HN 0.491 nan 8.380 nan 0.000 0.438 18 W N 2.038 123.264 121.300 -0.123 0.000 2.465 18 W HA -0.018 4.643 4.660 0.000 0.000 0.268 18 W C 0.400 176.829 176.519 -0.150 0.000 1.242 18 W CA 0.616 57.709 57.345 -0.419 0.000 1.248 18 W CB -0.442 28.966 29.460 -0.087 0.000 1.118 18 W HN 0.192 nan 8.180 nan 0.000 0.587 19 K N -0.884 118.976 120.400 -0.899 0.000 2.564 19 K HA 0.127 4.447 4.320 0.000 0.000 0.205 19 K C 1.121 177.634 176.600 -0.146 0.000 1.053 19 K CA -0.560 55.344 56.287 -0.639 0.000 1.072 19 K CB -0.988 30.604 32.500 -1.513 0.000 0.822 19 K HN -0.085 nan 8.250 nan 0.000 0.497 20 F N 1.381 121.218 119.950 -0.188 0.000 2.134 20 F HA -0.031 4.496 4.527 0.000 0.000 0.299 20 F C 0.549 176.411 175.800 0.103 0.000 1.097 20 F CA 0.554 58.537 58.000 -0.029 0.000 1.264 20 F CB 0.294 39.275 39.000 -0.031 0.000 1.001 20 F HN 0.282 nan 8.300 nan 0.000 0.479 21 C N 0.597 120.009 119.300 0.187 0.000 3.170 21 C HA 0.680 5.140 4.460 0.000 0.000 0.319 21 C C -0.953 173.889 174.990 -0.247 0.000 1.260 21 C CA -0.528 58.481 59.018 -0.015 0.000 1.374 21 C CB 0.769 28.567 27.740 0.097 0.000 1.739 21 C HN 0.154 nan 8.230 nan 0.000 0.479 22 V N 2.384 121.966 119.914 -0.553 0.000 2.962 22 V HA 0.930 5.050 4.120 0.000 0.000 0.313 22 V C 0.579 176.431 176.094 -0.403 0.000 1.099 22 V CA -0.082 61.778 62.300 -0.733 0.000 0.971 22 V CB 1.214 32.303 31.823 -1.223 0.000 1.028 22 V HN 1.290 nan 8.190 nan 0.000 0.430 23 G N 0.248 108.883 108.800 -0.274 0.000 2.539 23 G HA2 0.533 4.493 3.960 0.000 0.000 0.258 23 G HA3 0.533 4.493 3.960 0.000 0.000 0.258 23 G C -0.268 174.444 174.900 -0.314 0.000 1.202 23 G CA 0.313 45.281 45.100 -0.219 0.000 0.851 23 G HN 1.153 nan 8.290 nan 0.000 0.556 24 T N -0.854 113.486 114.554 -0.358 0.000 2.896 24 T HA 0.634 4.984 4.350 0.000 0.000 0.297 24 T C 0.771 175.310 174.700 -0.268 0.000 1.108 24 T CA 0.353 62.374 62.100 -0.132 0.000 1.004 24 T CB 1.103 70.116 68.868 0.243 0.000 1.159 24 T HN 0.990 nan 8.240 nan 0.000 0.499 25 G N 1.832 110.638 108.800 0.010 0.000 2.794 25 G HA2 0.323 4.283 3.960 0.000 0.000 0.249 25 G HA3 0.323 4.283 3.960 0.000 0.000 0.249 25 G C 0.172 175.015 174.900 -0.095 0.000 1.236 25 G CA -0.464 44.624 45.100 -0.020 0.000 0.880 25 G HN 1.082 nan 8.290 nan 0.000 0.586 26 R N 0.019 120.363 120.500 -0.260 0.000 2.697 26 R HA 0.050 4.390 4.340 0.000 0.000 0.265 26 R C 1.112 177.256 176.300 -0.261 0.000 1.009 26 R CA -0.396 55.533 56.100 -0.286 0.000 1.099 26 R CB 0.287 30.111 30.300 -0.793 0.000 0.965 26 R HN 0.382 nan 8.270 nan 0.000 0.428 27 L N 2.536 123.654 121.223 -0.174 0.000 2.129 27 L HA -0.152 4.188 4.340 0.000 0.000 0.212 27 L C 2.383 179.087 176.870 -0.277 0.000 1.087 27 L CA 1.926 56.672 54.840 -0.157 0.000 0.757 27 L CB -0.920 41.108 42.059 -0.052 0.000 0.896 27 L HN 1.085 nan 8.230 nan 0.000 0.434 28 G N -0.107 108.510 108.800 -0.306 0.000 2.471 28 G HA2 -0.157 3.803 3.960 0.000 0.000 0.219 28 G HA3 -0.157 3.803 3.960 0.000 0.000 0.219 28 G C 1.619 176.280 174.900 -0.398 0.000 1.125 28 G CA 0.156 45.060 45.100 -0.327 0.000 0.775 28 G HN 0.292 nan 8.290 nan 0.000 0.548 29 L N 0.525 121.496 121.223 -0.420 0.000 2.376 29 L HA 0.081 4.421 4.340 0.000 0.000 0.219 29 L C 3.098 179.534 176.870 -0.723 0.000 1.133 29 L CA 0.516 55.104 54.840 -0.420 0.000 0.816 29 L CB -0.168 41.726 42.059 -0.274 0.000 0.933 29 L HN 0.258 nan 8.230 nan 0.000 0.449 30 A N 0.138 122.337 122.820 -1.034 0.000 2.225 30 A HA -0.077 4.243 4.320 0.000 0.000 0.215 30 A C 2.119 179.330 177.584 -0.623 0.000 1.164 30 A CA 0.949 52.204 52.037 -1.304 0.000 0.710 30 A CB -0.560 17.874 19.000 -0.943 0.000 0.780 30 A HN 0.438 nan 8.150 nan 0.000 0.473 31 L N -0.752 120.179 121.223 -0.487 0.000 2.395 31 L HA -0.058 4.282 4.340 0.000 0.000 0.218 31 L C 0.912 177.634 176.870 -0.247 0.000 1.130 31 L CA 0.134 54.760 54.840 -0.358 0.000 0.826 31 L CB -0.431 41.361 42.059 -0.445 0.000 0.941 31 L HN 0.450 nan 8.230 nan 0.000 0.451 32 Q N 0.763 120.422 119.800 -0.235 0.000 2.337 32 Q HA -0.068 4.272 4.340 0.000 0.000 0.270 32 Q C 0.881 176.845 176.000 -0.059 0.000 1.002 32 Q CA -0.046 55.681 55.803 -0.126 0.000 0.888 32 Q CB 1.155 29.832 28.738 -0.101 0.000 1.222 32 Q HN -0.017 nan 8.270 nan 0.000 0.400 33 K N 2.559 122.925 120.400 -0.058 0.000 2.097 33 K HA -0.255 4.065 4.320 0.000 0.000 0.206 33 K C 1.594 178.166 176.600 -0.047 0.000 1.049 33 K CA 1.815 58.081 56.287 -0.036 0.000 0.933 33 K CB 0.079 32.558 32.500 -0.035 0.000 0.717 33 K HN 0.582 nan 8.250 nan 0.000 0.442 34 E N -0.492 119.647 120.200 -0.101 0.000 2.058 34 E HA -0.234 4.116 4.350 0.000 0.000 0.194 34 E C 1.873 178.251 176.600 -0.369 0.000 0.997 34 E CA 1.654 57.907 56.400 -0.244 0.000 0.801 34 E CB -0.531 29.006 29.700 -0.272 0.000 0.746 34 E HN 0.514 nan 8.360 nan 0.000 0.450 35 Y N 0.335 120.453 120.300 -0.303 0.000 2.181 35 Y HA -0.174 4.376 4.550 0.000 0.000 0.288 35 Y C 1.855 177.760 175.900 0.009 0.000 1.146 35 Y CA 1.832 59.835 58.100 -0.161 0.000 1.164 35 Y CB -0.073 38.352 38.460 -0.058 0.000 0.982 35 Y HN 0.053 nan 8.280 nan 0.000 0.515 36 L N -0.209 121.168 121.223 0.257 0.000 2.141 36 L HA -0.199 4.141 4.340 0.000 0.000 0.209 36 L C 1.930 178.851 176.870 0.085 0.000 1.094 36 L CA 1.133 56.080 54.840 0.178 0.000 0.763 36 L CB -0.553 41.573 42.059 0.112 0.000 0.908 36 L HN 0.222 nan 8.230 nan 0.000 0.437 37 D N -0.571 119.850 120.400 0.035 0.000 2.097 37 D HA -0.180 4.460 4.640 0.000 0.000 0.195 37 D C 2.051 178.457 176.300 0.177 0.000 0.989 37 D CA 1.444 55.486 54.000 0.071 0.000 0.827 37 D CB -0.330 40.504 40.800 0.057 0.000 0.966 37 D HN 0.486 nan 8.370 nan 0.000 0.456 38 H N 0.042 119.147 119.070 0.058 0.000 2.387 38 H HA 0.009 4.565 4.556 0.000 0.000 0.299 38 H C 2.309 177.763 175.328 0.211 0.000 1.090 38 H CA 0.118 56.230 56.048 0.107 0.000 1.332 38 H CB 0.212 29.991 29.762 0.028 0.000 1.386 38 H HN 0.051 nan 8.280 nan 0.000 0.516 39 L N 1.215 122.587 121.223 0.248 0.000 2.093 39 L HA -0.169 4.171 4.340 0.000 0.000 0.208 39 L C 2.535 179.374 176.870 -0.052 0.000 1.085 39 L CA 1.245 55.988 54.840 -0.162 0.000 0.755 39 L CB -0.246 41.621 42.059 -0.321 0.000 0.904 39 L HN 0.244 nan 8.230 nan 0.000 0.435 40 K N 0.092 120.509 120.400 0.029 0.000 2.097 40 K HA -0.210 4.110 4.320 0.000 0.000 0.206 40 K C 2.143 178.781 176.600 0.064 0.000 1.049 40 K CA 1.085 57.391 56.287 0.032 0.000 0.933 40 K CB -0.010 32.514 32.500 0.041 0.000 0.717 40 K HN 0.317 nan 8.250 nan 0.000 0.442 41 L N 0.909 122.199 121.223 0.111 0.000 2.005 41 L HA -0.169 4.171 4.340 0.000 0.000 0.207 41 L C 2.278 179.293 176.870 0.242 0.000 1.072 41 L CA 1.238 56.170 54.840 0.153 0.000 0.744 41 L CB -0.304 41.822 42.059 0.112 0.000 0.895 41 L HN 0.071 nan 8.230 nan 0.000 0.433 42 V N -0.137 119.934 119.914 0.262 0.000 2.332 42 V HA -0.319 3.801 4.120 0.000 0.000 0.248 42 V C 2.629 178.759 176.094 0.060 0.000 1.055 42 V CA 1.649 64.091 62.300 0.237 0.000 1.038 42 V CB -0.551 31.413 31.823 0.236 0.000 0.651 42 V HN 0.534 nan 8.190 nan 0.000 0.450 43 Q N -0.329 119.474 119.800 0.005 0.000 2.079 43 Q HA -0.206 4.134 4.340 0.000 0.000 0.200 43 Q C 2.233 178.213 176.000 -0.033 0.000 0.974 43 Q CA 1.598 57.371 55.803 -0.050 0.000 0.840 43 Q CB -0.324 28.368 28.738 -0.077 0.000 0.898 43 Q HN 0.716 nan 8.270 nan 0.000 0.430 44 E N -0.005 120.205 120.200 0.016 0.000 2.153 44 E HA -0.133 4.217 4.350 0.000 0.000 0.194 44 E C 1.665 178.292 176.600 0.045 0.000 0.988 44 E CA 0.844 57.264 56.400 0.033 0.000 0.811 44 E CB 0.259 29.995 29.700 0.059 0.000 0.746 44 E HN 0.056 nan 8.360 nan 0.000 0.466 45 K N -0.618 119.823 120.400 0.068 0.000 2.348 45 K HA 0.172 4.492 4.320 0.000 0.000 0.194 45 K C 1.635 178.199 176.600 -0.059 0.000 1.052 45 K CA 0.501 56.824 56.287 0.060 0.000 1.004 45 K CB 0.777 33.394 32.500 0.195 0.000 0.873 45 K HN 0.182 nan 8.250 nan 0.000 0.523 46 I N -1.103 119.374 120.570 -0.155 0.000 3.739 46 I HA 0.147 4.317 4.170 0.000 0.000 0.272 46 I C 0.491 176.375 176.117 -0.387 0.000 1.167 46 I CA 0.382 61.499 61.300 -0.306 0.000 1.386 46 I CB 0.378 38.040 38.000 -0.563 0.000 1.490 46 I HN 0.127 nan 8.210 nan 0.000 0.452 47 G N 2.523 111.108 108.800 -0.358 0.000 2.470 47 G HA2 -0.230 3.730 3.960 0.000 0.000 0.286 47 G HA3 -0.230 3.730 3.960 0.000 0.000 0.286 47 G C -0.218 174.440 174.900 -0.404 0.000 1.115 47 G CA -0.535 44.387 45.100 -0.297 0.000 1.122 47 G HN 0.104 nan 8.290 nan 0.000 0.522 48 F N -0.332 119.448 119.950 -0.284 0.000 2.450 48 F HA 0.402 4.929 4.527 0.000 0.000 0.339 48 F C 2.068 177.642 175.800 -0.376 0.000 1.146 48 F CA -0.297 57.503 58.000 -0.334 0.000 1.267 48 F CB 0.608 39.402 39.000 -0.344 0.000 1.178 48 F HN 0.135 nan 8.300 nan 0.000 0.585 49 R N 0.789 121.161 120.500 -0.212 0.000 2.112 49 R HA 0.063 4.403 4.340 0.000 0.000 0.216 49 R C -0.639 175.181 176.300 -0.799 0.000 1.080 49 R CA 0.805 56.625 56.100 -0.467 0.000 0.996 49 R CB 0.082 30.106 30.300 -0.461 0.000 0.902 49 R HN 0.504 nan 8.270 nan 0.000 0.449 50 Y N -0.773 119.206 120.300 -0.534 0.000 2.602 50 Y HA 0.521 5.071 4.550 0.000 0.000 0.342 50 Y C -0.459 175.146 175.900 -0.491 0.000 1.029 50 Y CA -1.058 56.721 58.100 -0.536 0.000 1.080 50 Y CB 1.886 40.020 38.460 -0.543 0.000 1.284 50 Y HN -0.174 nan 8.280 nan 0.000 0.485 51 I N 1.932 122.277 120.570 -0.374 0.000 2.569 51 I HA 0.505 4.675 4.170 0.000 0.000 0.290 51 I C -1.424 174.516 176.117 -0.296 0.000 1.088 51 I CA -0.777 60.246 61.300 -0.462 0.000 1.047 51 I CB 1.194 38.719 38.000 -0.791 0.000 1.237 51 I HN 0.526 nan 8.210 nan 0.000 0.421 52 R N 5.645 126.017 120.500 -0.213 0.000 2.439 52 R HA 0.748 5.088 4.340 0.000 0.000 0.310 52 R C -1.123 175.156 176.300 -0.035 0.000 0.955 52 R CA -0.488 55.533 56.100 -0.131 0.000 0.853 52 R CB 1.675 31.817 30.300 -0.263 0.000 1.171 52 R HN 0.897 nan 8.270 nan 0.000 0.449 53 G N 2.223 111.022 108.800 -0.001 0.000 2.708 53 G HA2 0.393 4.353 3.960 0.000 0.000 0.289 53 G HA3 0.393 4.353 3.960 0.000 0.000 0.289 53 G C -1.149 173.792 174.900 0.068 0.000 1.416 53 G CA -0.518 44.606 45.100 0.039 0.000 0.829 53 G HN 0.546 nan 8.290 nan 0.000 0.480 54 H N -1.055 118.148 119.070 0.221 0.000 2.544 54 H HA 0.510 5.066 4.556 0.000 0.000 0.365 54 H C 1.350 176.700 175.328 0.037 0.000 1.268 54 H CA 0.498 56.614 56.048 0.113 0.000 1.400 54 H CB 1.229 31.241 29.762 0.417 0.000 1.538 54 H HN 1.449 nan 8.280 nan 0.000 0.597 55 G N 0.258 109.137 108.800 0.133 0.000 2.141 55 G HA2 -0.280 3.680 3.960 0.000 0.000 0.231 55 G HA3 -0.280 3.680 3.960 0.000 0.000 0.231 55 G C 1.086 176.046 174.900 0.099 0.000 0.984 55 G CA 0.480 45.652 45.100 0.121 0.000 0.660 55 G HN 0.572 nan 8.290 nan 0.000 0.525 56 L N 0.071 121.369 121.223 0.125 0.000 2.042 56 L HA 0.175 4.515 4.340 0.000 0.000 0.210 56 L C 2.209 179.216 176.870 0.228 0.000 1.076 56 L CA 2.614 57.565 54.840 0.184 0.000 0.749 56 L CB -0.215 41.986 42.059 0.236 0.000 0.893 56 L HN 0.396 nan 8.230 nan 0.000 0.432 57 L N -1.148 120.234 121.223 0.264 0.000 2.640 57 L HA 0.218 4.558 4.340 0.000 0.000 0.230 57 L C 0.795 177.852 176.870 0.310 0.000 1.123 57 L CA -0.371 54.645 54.840 0.294 0.000 0.900 57 L CB -0.101 42.170 42.059 0.353 0.000 1.146 57 L HN 0.053 nan 8.230 nan 0.000 0.484 58 S N -0.334 115.546 115.700 0.300 0.000 2.652 58 S HA 0.093 4.563 4.470 0.000 0.000 0.270 58 S C 0.741 175.491 174.600 0.250 0.000 1.243 58 S CA -0.656 57.749 58.200 0.342 0.000 0.999 58 S CB 1.216 64.712 63.200 0.493 0.000 0.973 58 S HN 0.177 nan 8.310 nan 0.000 0.544 59 D N 1.440 121.990 120.400 0.249 0.000 2.269 59 D HA -0.117 4.523 4.640 0.000 0.000 0.208 59 D C 1.450 177.838 176.300 0.146 0.000 0.963 59 D CA 0.775 54.888 54.000 0.190 0.000 0.864 59 D CB -0.125 40.783 40.800 0.180 0.000 0.936 59 D HN 0.660 nan 8.370 nan 0.000 0.505 60 D N 0.881 121.356 120.400 0.125 0.000 2.178 60 D HA -0.112 4.528 4.640 0.000 0.000 0.202 60 D C 2.076 178.479 176.300 0.172 0.000 0.974 60 D CA 0.435 54.495 54.000 0.101 0.000 0.841 60 D CB -0.551 40.252 40.800 0.005 0.000 0.953 60 D HN 0.086 nan 8.370 nan 0.000 0.478 61 V N 0.439 120.438 119.914 0.141 0.000 2.515 61 V HA 0.056 4.176 4.120 0.000 0.000 0.250 61 V C 2.143 178.361 176.094 0.206 0.000 1.058 61 V CA 1.594 64.021 62.300 0.212 0.000 1.064 61 V CB -0.793 31.108 31.823 0.130 0.000 0.675 61 V HN 0.625 nan 8.190 nan 0.000 0.461 62 G N -0.666 108.214 108.800 0.133 0.000 2.157 62 G HA2 -0.272 3.688 3.960 0.000 0.000 0.239 62 G HA3 -0.272 3.688 3.960 0.000 0.000 0.239 62 G C 0.710 175.611 174.900 0.001 0.000 0.982 62 G CA 0.445 45.575 45.100 0.049 0.000 0.650 62 G HN 0.426 nan 8.290 nan 0.000 0.527 63 I N -0.859 119.728 120.570 0.029 0.000 2.142 63 I HA -0.014 4.156 4.170 0.000 0.000 0.240 63 I C 1.406 177.507 176.117 -0.026 0.000 1.078 63 I CA 1.181 62.433 61.300 -0.080 0.000 1.343 63 I CB -0.058 37.932 38.000 -0.016 0.000 1.046 63 I HN 0.314 nan 8.210 nan 0.000 0.405 64 Y N 2.860 123.158 120.300 -0.003 0.000 2.353 64 Y HA 0.453 5.003 4.550 0.000 0.000 0.340 64 Y C -0.212 175.687 175.900 -0.001 0.000 0.972 64 Y CA -0.777 57.328 58.100 0.009 0.000 1.157 64 Y CB 0.256 38.771 38.460 0.091 0.000 1.157 64 Y HN -0.057 nan 8.280 nan 0.000 0.495 65 R N 4.402 124.515 120.500 -0.644 0.000 2.725 65 R HA 0.354 4.694 4.340 0.000 0.000 0.277 65 R C -1.235 174.708 176.300 -0.594 0.000 0.987 65 R CA -1.008 54.849 56.100 -0.405 0.000 0.901 65 R CB 2.130 32.336 30.300 -0.156 0.000 1.207 65 R HN 0.783 nan 8.270 nan 0.000 0.463 66 E N 0.865 120.868 120.200 -0.329 0.000 2.166 66 E HA 0.459 4.809 4.350 0.000 0.000 0.275 66 E C -0.964 175.549 176.600 -0.144 0.000 0.941 66 E CA -0.743 55.520 56.400 -0.228 0.000 0.784 66 E CB 2.604 32.244 29.700 -0.099 0.000 1.115 66 E HN 0.037 nan 8.360 nan 0.000 0.399 67 V N 2.937 122.771 119.914 -0.133 0.000 2.656 67 V HA 0.139 4.259 4.120 0.000 0.000 0.307 67 V C -0.624 175.419 176.094 -0.085 0.000 1.051 67 V CA -0.628 61.598 62.300 -0.123 0.000 0.893 67 V CB 2.002 33.727 31.823 -0.164 0.000 0.999 67 V HN 0.669 nan 8.190 nan 0.000 0.426 68 E N 5.337 125.491 120.200 -0.075 0.000 2.052 68 E HA 0.388 4.738 4.350 0.000 0.000 0.283 68 E C -0.689 175.880 176.600 -0.052 0.000 1.071 68 E CA -0.468 55.900 56.400 -0.053 0.000 0.851 68 E CB 0.705 30.380 29.700 -0.043 0.000 1.066 68 E HN 0.647 nan 8.360 nan 0.000 0.396 69 I N 2.511 123.058 120.570 -0.039 0.000 2.354 69 I HA 0.443 4.613 4.170 0.000 0.000 0.286 69 I C 0.179 176.284 176.117 -0.021 0.000 1.007 69 I CA -0.671 60.609 61.300 -0.032 0.000 1.167 69 I CB 1.254 39.237 38.000 -0.027 0.000 1.320 69 I HN 0.538 nan 8.210 nan 0.000 0.458 70 D N 5.333 125.720 120.400 -0.021 0.000 4.230 70 D HA -0.238 4.402 4.640 0.000 0.000 0.138 70 D C 1.165 177.456 176.300 -0.014 0.000 0.772 70 D CA 2.396 56.387 54.000 -0.015 0.000 1.136 70 D CB -1.134 39.660 40.800 -0.010 0.000 0.547 70 D HN 0.932 nan 8.370 nan 0.000 0.537 71 G N 0.709 109.503 108.800 -0.009 0.000 3.605 71 G HA2 0.470 4.430 3.960 0.000 0.000 0.277 71 G HA3 0.470 4.430 3.960 0.000 0.000 0.277 71 G C -0.535 174.362 174.900 -0.005 0.000 1.093 71 G CA 0.635 45.730 45.100 -0.007 0.000 0.821 71 G HN 0.591 nan 8.290 nan 0.000 0.532 72 E N -0.389 119.807 120.200 -0.007 0.000 2.356 72 E HA 0.554 4.904 4.350 0.000 0.000 0.275 72 E C -0.827 175.768 176.600 -0.009 0.000 0.904 72 E CA -1.251 55.147 56.400 -0.003 0.000 0.757 72 E CB 1.302 31.005 29.700 0.004 0.000 1.232 72 E HN -0.196 nan 8.360 nan 0.000 0.442 73 M N 2.313 121.910 119.600 -0.005 0.000 2.143 73 M HA 0.320 4.800 4.480 0.000 0.000 0.348 73 M C -0.571 175.722 176.300 -0.012 0.000 1.375 73 M CA -0.179 55.113 55.300 -0.013 0.000 1.124 73 M CB -0.069 32.530 32.600 -0.002 0.000 1.669 73 M HN 0.429 nan 8.290 nan 0.000 0.469 74 K N 4.763 125.140 120.400 -0.037 0.000 2.259 74 K HA 0.624 4.944 4.320 0.000 0.000 0.249 74 K C -2.530 174.001 176.600 -0.115 0.000 0.942 74 K CA -1.785 54.476 56.287 -0.042 0.000 0.816 74 K CB 1.788 34.271 32.500 -0.028 0.000 1.155 74 K HN 0.302 nan 8.250 nan 0.000 0.428 75 P HA 0.132 nan 4.420 nan 0.000 0.271 75 P C -0.843 176.155 177.300 -0.503 0.000 1.216 75 P CA -0.101 62.745 63.100 -0.422 0.000 0.771 75 P CB 0.306 31.814 31.700 -0.321 0.000 0.864 76 F N 3.790 123.271 119.950 -0.781 0.000 2.529 76 F HA 0.452 4.979 4.527 0.000 0.000 0.320 76 F C -1.222 174.111 175.800 -0.779 0.000 1.118 76 F CA -1.055 56.566 58.000 -0.630 0.000 0.915 76 F CB 1.331 40.105 39.000 -0.378 0.000 1.161 76 F HN 0.191 nan 8.300 nan 0.000 0.445 77 Y N 4.527 124.252 120.300 -0.959 0.000 2.335 77 Y HA 0.321 4.871 4.550 0.000 0.000 0.339 77 Y C 0.036 175.164 175.900 -1.286 0.000 0.987 77 Y CA -0.754 56.782 58.100 -0.940 0.000 1.140 77 Y CB 0.908 38.922 38.460 -0.742 0.000 1.173 77 Y HN 0.513 nan 8.280 nan 0.000 0.486 78 N N 3.634 121.861 118.700 -0.788 0.000 2.476 78 N HA 0.214 4.954 4.740 0.000 0.000 0.257 78 N C -0.867 174.303 175.510 -0.566 0.000 0.970 78 N CA -0.586 52.177 53.050 -0.479 0.000 0.938 78 N CB 0.341 38.789 38.487 -0.065 0.000 1.144 78 N HN 0.545 nan 8.380 nan 0.000 0.500 79 F N 1.074 120.905 119.950 -0.198 0.000 2.693 79 F HA 0.147 4.674 4.527 0.000 0.000 0.303 79 F C 2.057 177.826 175.800 -0.051 0.000 1.097 79 F CA -0.191 57.680 58.000 -0.215 0.000 1.330 79 F CB 0.245 38.836 39.000 -0.682 0.000 1.067 79 F HN 0.352 nan 8.300 nan 0.000 0.565 80 T N -0.191 114.392 114.554 0.049 0.000 2.597 80 T HA -0.271 4.079 4.350 0.000 0.000 0.267 80 T C 1.617 176.428 174.700 0.186 0.000 1.053 80 T CA 1.975 64.112 62.100 0.062 0.000 1.165 80 T CB -0.401 68.409 68.868 -0.097 0.000 0.863 80 T HN 0.180 nan 8.240 nan 0.000 0.427 81 Y N 1.276 121.609 120.300 0.055 0.000 2.153 81 Y HA 0.057 4.607 4.550 0.000 0.000 0.289 81 Y C 2.318 178.253 175.900 0.058 0.000 1.127 81 Y CA -0.251 57.867 58.100 0.030 0.000 1.131 81 Y CB -1.178 37.279 38.460 -0.004 0.000 0.995 81 Y HN 0.273 nan 8.280 nan 0.000 0.505 82 I N -0.870 119.872 120.570 0.287 0.000 2.493 82 I HA -0.161 4.009 4.170 0.000 0.000 0.254 82 I C 1.640 177.955 176.117 0.330 0.000 1.160 82 I CA 1.096 62.564 61.300 0.280 0.000 1.445 82 I CB -0.957 37.293 38.000 0.417 0.000 1.086 82 I HN -0.075 nan 8.210 nan 0.000 0.433 83 D N 1.206 121.829 120.400 0.372 0.000 2.104 83 D HA -0.187 4.453 4.640 0.000 0.000 0.194 83 D C 2.303 178.755 176.300 0.254 0.000 0.994 83 D CA 1.226 55.459 54.000 0.388 0.000 0.830 83 D CB -0.285 40.716 40.800 0.335 0.000 0.959 83 D HN 0.347 nan 8.370 nan 0.000 0.452 84 R N 0.074 120.676 120.500 0.170 0.000 2.066 84 R HA -0.055 4.285 4.340 0.000 0.000 0.232 84 R C 2.406 178.683 176.300 -0.039 0.000 1.131 84 R CA 0.814 56.958 56.100 0.074 0.000 0.955 84 R CB -0.273 30.067 30.300 0.067 0.000 0.851 84 R HN 0.188 nan 8.270 nan 0.000 0.432 85 I N 0.008 120.515 120.570 -0.106 0.000 2.163 85 I HA -0.257 3.913 4.170 0.000 0.000 0.240 85 I C 2.284 178.097 176.117 -0.508 0.000 1.081 85 I CA 1.012 62.093 61.300 -0.366 0.000 1.353 85 I CB -0.173 37.603 38.000 -0.373 0.000 1.054 85 I HN 0.000 nan 8.210 nan 0.000 0.407 86 V N 0.760 120.522 119.914 -0.253 0.000 2.343 86 V HA -0.297 3.823 4.120 0.000 0.000 0.247 86 V C 2.054 178.063 176.094 -0.142 0.000 1.051 86 V CA 1.964 64.106 62.300 -0.265 0.000 1.036 86 V CB -0.773 30.900 31.823 -0.249 0.000 0.654 86 V HN 0.398 nan 8.190 nan 0.000 0.451 87 D N 0.749 121.192 120.400 0.071 0.000 2.149 87 D HA -0.177 4.463 4.640 0.000 0.000 0.194 87 D C 2.429 178.731 176.300 0.004 0.000 1.001 87 D CA 2.006 56.077 54.000 0.117 0.000 0.849 87 D CB -0.379 40.511 40.800 0.149 0.000 0.939 87 D HN 0.625 nan 8.370 nan 0.000 0.449 88 S N -0.533 115.116 115.700 -0.085 0.000 2.406 88 S HA -0.161 4.309 4.470 0.000 0.000 0.228 88 S C 2.059 176.651 174.600 -0.013 0.000 1.020 88 S CA 0.455 58.611 58.200 -0.074 0.000 0.965 88 S CB -0.590 62.538 63.200 -0.120 0.000 0.798 88 S HN 0.151 nan 8.310 nan 0.000 0.488 89 Y N 2.192 122.412 120.300 -0.132 0.000 2.145 89 Y HA 0.141 4.691 4.550 0.000 0.000 0.286 89 Y C 2.357 178.131 175.900 -0.210 0.000 1.145 89 Y CA 0.144 58.120 58.100 -0.205 0.000 1.148 89 Y CB -1.015 37.256 38.460 -0.315 0.000 0.981 89 Y HN 0.233 nan 8.280 nan 0.000 0.507 90 L N -0.864 120.343 121.223 -0.026 0.000 2.131 90 L HA -0.176 4.164 4.340 0.000 0.000 0.210 90 L C 2.568 179.421 176.870 -0.028 0.000 1.092 90 L CA 1.001 55.805 54.840 -0.060 0.000 0.759 90 L CB -0.845 41.192 42.059 -0.035 0.000 0.903 90 L HN 0.152 nan 8.230 nan 0.000 0.435 91 A N -0.102 122.717 122.820 -0.002 0.000 2.019 91 A HA -0.092 4.228 4.320 0.000 0.000 0.219 91 A C 1.953 179.526 177.584 -0.018 0.000 1.164 91 A CA 1.183 53.219 52.037 -0.001 0.000 0.644 91 A CB -0.429 18.577 19.000 0.011 0.000 0.805 91 A HN 0.422 nan 8.150 nan 0.000 0.449 92 L N -0.230 120.977 121.223 -0.028 0.000 2.791 92 L HA 0.128 4.468 4.340 0.000 0.000 0.239 92 L C -0.209 176.601 176.870 -0.100 0.000 1.203 92 L CA -0.307 54.502 54.840 -0.052 0.000 1.002 92 L CB -0.316 41.716 42.059 -0.045 0.000 1.295 92 L HN 0.372 nan 8.230 nan 0.000 0.504 93 N N 1.075 119.711 118.700 -0.107 0.000 2.740 93 N HA -0.224 4.516 4.740 0.000 0.000 0.248 93 N C -0.340 175.027 175.510 -0.238 0.000 1.062 93 N CA 0.911 53.871 53.050 -0.150 0.000 0.704 93 N CB -1.134 37.278 38.487 -0.126 0.000 0.968 93 N HN 0.403 nan 8.380 nan 0.000 0.547 94 I N 0.027 120.427 120.570 -0.284 0.000 2.545 94 I HA 0.331 4.501 4.170 0.000 0.000 0.292 94 I C -0.237 175.554 176.117 -0.543 0.000 1.040 94 I CA -0.777 60.260 61.300 -0.440 0.000 1.068 94 I CB 1.391 39.118 38.000 -0.454 0.000 1.251 94 I HN -0.053 nan 8.210 nan 0.000 0.424 95 R N 6.933 126.964 120.500 -0.782 0.000 2.668 95 R HA 0.516 4.856 4.340 0.000 0.000 0.279 95 R C -2.610 173.167 176.300 -0.871 0.000 0.976 95 R CA -1.836 53.730 56.100 -0.890 0.000 0.978 95 R CB 1.094 30.821 30.300 -0.956 0.000 1.133 95 R HN 0.328 nan 8.270 nan 0.000 0.484 96 P HA 0.022 nan 4.420 nan 0.000 0.276 96 P C -0.983 176.032 177.300 -0.475 0.000 1.235 96 P CA 0.088 62.725 63.100 -0.772 0.000 0.772 96 P CB 0.271 31.363 31.700 -1.014 0.000 0.871 97 F N 4.804 124.533 119.950 -0.368 0.000 2.406 97 F HA 0.249 4.776 4.527 0.000 0.000 0.358 97 F C 0.432 176.045 175.800 -0.312 0.000 1.161 97 F CA -0.997 56.808 58.000 -0.325 0.000 1.185 97 F CB 0.179 39.004 39.000 -0.291 0.000 1.421 97 F HN 0.115 nan 8.300 nan 0.000 0.576 98 I N 4.644 125.101 120.570 -0.189 0.000 2.556 98 I HA 0.029 4.199 4.170 0.000 0.000 0.284 98 I C 0.230 176.326 176.117 -0.034 0.000 1.114 98 I CA 0.344 61.527 61.300 -0.194 0.000 1.418 98 I CB 0.962 38.729 38.000 -0.387 0.000 1.394 98 I HN 0.595 nan 8.210 nan 0.000 0.552 99 E N 7.153 127.344 120.200 -0.016 0.000 2.182 99 E HA 0.282 4.632 4.350 0.000 0.000 0.258 99 E C -1.251 175.402 176.600 0.089 0.000 0.879 99 E CA -0.613 55.828 56.400 0.068 0.000 0.754 99 E CB 0.876 30.640 29.700 0.106 0.000 1.162 99 E HN 0.334 nan 8.360 nan 0.000 0.419 100 F N 3.683 123.861 119.950 0.380 0.000 2.512 100 F HA 0.374 4.902 4.527 0.000 0.000 0.350 100 F C 1.073 177.151 175.800 0.463 0.000 1.212 100 F CA 0.344 58.601 58.000 0.428 0.000 1.099 100 F CB 0.747 40.056 39.000 0.515 0.000 1.238 100 F HN 0.529 nan 8.300 nan 0.000 0.600 101 G N 2.012 111.048 108.800 0.392 0.000 2.356 101 G HA2 0.390 4.350 3.960 0.000 0.000 0.294 101 G HA3 0.390 4.350 3.960 0.000 0.000 0.294 101 G C -1.314 173.536 174.900 -0.083 0.000 1.423 101 G CA -0.891 44.203 45.100 -0.010 0.000 0.806 101 G HN 0.137 nan 8.290 nan 0.000 0.527 102 F N -0.289 119.778 119.950 0.194 0.000 2.219 102 F HA 0.729 5.256 4.527 0.000 0.000 0.249 102 F C 1.112 177.184 175.800 0.453 0.000 0.872 102 F CA -0.549 57.435 58.000 -0.027 0.000 1.132 102 F CB 0.390 39.372 39.000 -0.030 0.000 1.994 102 F HN 0.347 nan 8.300 nan 0.000 0.603 103 M N 2.617 122.713 119.600 0.827 0.000 2.162 103 M HA 0.322 4.802 4.480 0.000 0.000 0.356 103 M C -2.515 174.069 176.300 0.474 0.000 1.303 103 M CA -2.558 53.151 55.300 0.681 0.000 1.116 103 M CB 0.311 33.218 32.600 0.511 0.000 1.632 103 M HN -0.019 nan 8.290 nan 0.000 0.469 104 P HA 0.045 nan 4.420 nan 0.000 0.268 104 P C 0.025 177.483 177.300 0.264 0.000 1.205 104 P CA 0.044 63.337 63.100 0.323 0.000 0.771 104 P CB 0.438 32.311 31.700 0.288 0.000 0.858 105 K N 2.536 123.079 120.400 0.239 0.000 2.059 105 K HA -0.232 4.088 4.320 0.000 0.000 0.212 105 K C 1.778 178.482 176.600 0.173 0.000 1.050 105 K CA 2.228 58.623 56.287 0.180 0.000 0.927 105 K CB -0.693 31.895 32.500 0.146 0.000 0.714 105 K HN 0.507 nan 8.250 nan 0.000 0.447 106 A N 0.766 123.725 122.820 0.233 0.000 2.172 106 A HA -0.054 4.266 4.320 0.000 0.000 0.216 106 A C 1.801 179.509 177.584 0.207 0.000 1.154 106 A CA 0.964 53.144 52.037 0.239 0.000 0.701 106 A CB -0.231 18.964 19.000 0.325 0.000 0.789 106 A HN 0.193 nan 8.150 nan 0.000 0.465 107 L N -1.234 120.074 121.223 0.141 0.000 2.616 107 L HA 0.243 4.584 4.340 0.000 0.000 0.229 107 L C 1.180 178.077 176.870 0.045 0.000 1.110 107 L CA -0.055 54.815 54.840 0.049 0.000 0.884 107 L CB -0.116 41.926 42.059 -0.029 0.000 1.115 107 L HN 0.372 nan 8.230 nan 0.000 0.481 108 A N 0.171 123.035 122.820 0.073 0.000 2.388 108 A HA 0.284 4.604 4.320 0.000 0.000 0.257 108 A C 1.252 178.838 177.584 0.005 0.000 1.095 108 A CA 0.205 52.271 52.037 0.049 0.000 0.791 108 A CB 0.583 19.633 19.000 0.084 0.000 1.029 108 A HN 0.305 nan 8.150 nan 0.000 0.489 109 S N 1.472 117.149 115.700 -0.038 0.000 2.528 109 S HA 0.411 4.882 4.470 0.000 0.000 0.219 109 S C 0.850 175.422 174.600 -0.046 0.000 0.985 109 S CA 0.464 58.634 58.200 -0.050 0.000 0.914 109 S CB -0.121 63.028 63.200 -0.085 0.000 0.776 109 S HN 1.528 nan 8.310 nan 0.000 0.526 110 G N -0.078 108.696 108.800 -0.044 0.000 2.827 110 G HA2 0.496 4.456 3.960 0.000 0.000 0.296 110 G HA3 0.496 4.456 3.960 0.000 0.000 0.296 110 G C -1.163 173.721 174.900 -0.027 0.000 1.362 110 G CA -0.427 44.647 45.100 -0.044 0.000 0.809 110 G HN 0.037 nan 8.290 nan 0.000 0.522 111 D N -0.516 119.863 120.400 -0.035 0.000 2.360 111 D HA 0.054 4.694 4.640 0.000 0.000 0.210 111 D C 0.959 177.230 176.300 -0.048 0.000 1.047 111 D CA 0.194 54.177 54.000 -0.029 0.000 0.854 111 D CB 0.638 41.422 40.800 -0.027 0.000 0.936 111 D HN 0.411 nan 8.370 nan 0.000 0.514 112 Q N 1.837 121.596 119.800 -0.068 0.000 2.271 112 Q HA 0.111 4.451 4.340 0.000 0.000 0.273 112 Q C -0.129 175.799 176.000 -0.120 0.000 1.051 112 Q CA 0.318 56.062 55.803 -0.099 0.000 0.901 112 Q CB 0.478 29.146 28.738 -0.116 0.000 1.174 112 Q HN 0.104 nan 8.270 nan 0.000 0.385 113 T N 0.176 114.632 114.554 -0.163 0.000 2.930 113 T HA 0.684 5.034 4.350 0.000 0.000 0.290 113 T C -0.889 173.576 174.700 -0.391 0.000 1.052 113 T CA -0.842 61.116 62.100 -0.235 0.000 1.017 113 T CB 1.827 70.595 68.868 -0.166 0.000 1.137 113 T HN 0.400 nan 8.240 nan 0.000 0.511 114 V N 2.452 122.002 119.914 -0.607 0.000 2.823 114 V HA 0.834 4.954 4.120 0.000 0.000 0.312 114 V C -1.261 174.347 176.094 -0.810 0.000 1.072 114 V CA -0.869 60.896 62.300 -0.892 0.000 0.937 114 V CB 0.514 31.448 31.823 -1.482 0.000 1.013 114 V HN 1.126 nan 8.190 nan 0.000 0.430 115 F N 3.376 123.045 119.950 -0.468 0.000 2.183 115 F HA -0.236 4.291 4.527 0.000 0.000 0.318 115 F C 0.493 176.142 175.800 -0.252 0.000 1.287 115 F CA 0.499 58.245 58.000 -0.424 0.000 0.912 115 F CB -0.897 37.559 39.000 -0.906 0.000 4.135 115 F HN 0.796 nan 8.300 nan 0.000 0.138 116 Y N 2.675 122.991 120.300 0.026 0.000 2.181 116 Y HA -0.247 4.303 4.550 0.000 0.000 0.284 116 Y C 1.942 177.914 175.900 0.120 0.000 1.179 116 Y CA 2.335 60.471 58.100 0.061 0.000 1.179 116 Y CB -0.293 38.228 38.460 0.102 0.000 0.973 116 Y HN 0.491 nan 8.280 nan 0.000 0.519 117 W N 0.572 121.859 121.300 -0.021 0.000 3.180 117 W HA 0.244 4.904 4.660 0.000 0.000 0.254 117 W C -0.106 176.398 176.519 -0.025 0.000 1.318 117 W CA 0.418 57.678 57.345 -0.143 0.000 1.608 117 W CB -0.807 28.647 29.460 -0.010 0.000 1.124 117 W HN 0.063 nan 8.180 nan 0.000 0.694 118 K N 0.756 121.093 120.400 -0.106 0.000 3.239 118 K HA -0.124 4.196 4.320 0.000 0.000 0.270 118 K C 0.630 177.205 176.600 -0.043 0.000 1.049 118 K CA 0.580 56.801 56.287 -0.110 0.000 0.769 118 K CB -1.757 30.719 32.500 -0.040 0.000 1.305 118 K HN 0.332 nan 8.250 nan 0.000 0.469 119 G N 1.450 110.099 108.800 -0.252 0.000 2.340 119 G HA2 -0.029 3.931 3.960 0.000 0.000 0.245 119 G HA3 -0.029 3.931 3.960 0.000 0.000 0.245 119 G C 0.070 174.885 174.900 -0.141 0.000 1.294 119 G CA -0.367 44.710 45.100 -0.037 0.000 0.896 119 G HN 0.369 nan 8.290 nan 0.000 0.522 120 N N 1.508 120.272 118.700 0.108 0.000 2.514 120 N HA 0.119 4.859 4.740 0.000 0.000 0.277 120 N C 0.145 175.776 175.510 0.202 0.000 1.126 120 N CA -0.369 52.739 53.050 0.098 0.000 0.978 120 N CB 1.722 40.311 38.487 0.170 0.000 1.106 120 N HN 0.091 nan 8.380 nan 0.000 0.461 121 V N 2.466 122.459 119.914 0.131 0.000 3.176 121 V HA 0.046 4.166 4.120 0.000 0.000 0.332 121 V C 0.347 176.602 176.094 0.268 0.000 1.414 121 V CA 0.019 62.513 62.300 0.323 0.000 1.133 121 V CB 0.030 31.837 31.823 -0.026 0.000 1.088 121 V HN 0.831 nan 8.190 nan 0.000 0.473 122 T N -1.320 113.302 114.554 0.113 0.000 2.943 122 T HA 0.624 4.974 4.350 0.000 0.000 0.284 122 T C -2.774 171.811 174.700 -0.191 0.000 1.015 122 T CA -2.254 59.759 62.100 -0.145 0.000 1.042 122 T CB 1.963 70.761 68.868 -0.117 0.000 1.055 122 T HN -0.025 nan 8.240 nan 0.000 0.500 123 P HA 0.227 nan 4.420 nan 0.000 0.270 123 P C -2.409 174.702 177.300 -0.315 0.000 1.223 123 P CA -1.212 61.686 63.100 -0.336 0.000 0.785 123 P CB -0.495 31.036 31.700 -0.283 0.000 0.923 124 P HA 0.020 nan 4.420 nan 0.000 0.269 124 P C 0.393 177.492 177.300 -0.335 0.000 1.209 124 P CA 0.221 63.070 63.100 -0.418 0.000 0.776 124 P CB 0.852 32.198 31.700 -0.590 0.000 0.876 125 K N 0.500 120.812 120.400 -0.148 0.000 2.147 125 K HA -0.111 4.209 4.320 0.000 0.000 0.205 125 K C 0.466 177.049 176.600 -0.028 0.000 1.049 125 K CA 1.285 57.534 56.287 -0.063 0.000 0.936 125 K CB 0.038 32.530 32.500 -0.014 0.000 0.722 125 K HN 0.515 nan 8.250 nan 0.000 0.446 126 D N -1.311 119.057 120.400 -0.052 0.000 2.479 126 D HA 0.079 4.719 4.640 0.000 0.000 0.246 126 D C -0.186 176.139 176.300 0.041 0.000 1.336 126 D CA -0.453 53.572 54.000 0.040 0.000 0.967 126 D CB 0.466 41.302 40.800 0.060 0.000 1.275 126 D HN -0.097 nan 8.370 nan 0.000 0.577 127 Y N 1.974 122.327 120.300 0.087 0.000 2.439 127 Y HA -0.069 4.481 4.550 0.000 0.000 0.292 127 Y C 1.943 177.938 175.900 0.159 0.000 1.130 127 Y CA 0.658 58.835 58.100 0.129 0.000 1.254 127 Y CB 0.086 38.592 38.460 0.076 0.000 1.000 127 Y HN 0.372 nan 8.280 nan 0.000 0.554 128 N N 0.044 118.890 118.700 0.243 0.000 2.244 128 N HA -0.125 4.615 4.740 0.000 0.000 0.183 128 N C 1.548 177.142 175.510 0.140 0.000 1.016 128 N CA 1.185 54.334 53.050 0.166 0.000 0.866 128 N CB -0.128 38.432 38.487 0.123 0.000 0.980 128 N HN 0.344 nan 8.380 nan 0.000 0.430 129 K N -0.443 120.040 120.400 0.139 0.000 2.044 129 K HA -0.079 4.241 4.320 0.000 0.000 0.204 129 K C 1.867 178.513 176.600 0.077 0.000 1.049 129 K CA 0.381 56.736 56.287 0.113 0.000 0.945 129 K CB -0.142 32.413 32.500 0.090 0.000 0.724 129 K HN 0.263 nan 8.250 nan 0.000 0.440 130 W N 2.931 124.181 121.300 -0.084 0.000 2.298 130 W HA -0.324 4.336 4.660 0.000 0.000 0.328 130 W C 2.006 178.491 176.519 -0.058 0.000 1.259 130 W CA 1.813 59.101 57.345 -0.094 0.000 1.251 130 W CB -0.427 28.960 29.460 -0.122 0.000 1.161 130 W HN 0.085 nan 8.180 nan 0.000 0.466 131 R N 0.576 121.116 120.500 0.067 0.000 2.136 131 R HA -0.250 4.090 4.340 0.000 0.000 0.242 131 R C 1.773 177.988 176.300 -0.143 0.000 1.131 131 R CA 2.696 58.764 56.100 -0.053 0.000 0.937 131 R CB -0.902 29.432 30.300 0.058 0.000 0.863 131 R HN 0.088 nan 8.270 nan 0.000 0.435 132 D N 0.660 121.031 120.400 -0.049 0.000 2.178 132 D HA -0.177 4.463 4.640 0.000 0.000 0.201 132 D C 1.910 178.143 176.300 -0.112 0.000 0.980 132 D CA 0.767 54.751 54.000 -0.028 0.000 0.842 132 D CB -0.246 40.612 40.800 0.096 0.000 0.948 132 D HN 0.300 nan 8.370 nan 0.000 0.472 133 L N 0.503 121.640 121.223 -0.143 0.000 1.994 133 L HA -0.176 4.164 4.340 0.000 0.000 0.208 133 L C 2.103 178.725 176.870 -0.412 0.000 1.071 133 L CA 0.945 55.643 54.840 -0.237 0.000 0.745 133 L CB -0.118 41.759 42.059 -0.303 0.000 0.892 133 L HN -0.025 nan 8.230 nan 0.000 0.431 134 I N -0.485 119.734 120.570 -0.584 0.000 2.151 134 I HA -0.281 3.889 4.170 0.000 0.000 0.243 134 I C 2.655 178.546 176.117 -0.377 0.000 1.080 134 I CA 1.315 62.231 61.300 -0.640 0.000 1.339 134 I CB -1.451 36.070 38.000 -0.799 0.000 1.039 134 I HN 0.113 nan 8.210 nan 0.000 0.409 135 V N 1.289 121.024 119.914 -0.300 0.000 2.295 135 V HA -0.261 3.859 4.120 0.000 0.000 0.246 135 V C 2.838 178.800 176.094 -0.219 0.000 1.049 135 V CA 1.812 63.986 62.300 -0.210 0.000 1.024 135 V CB -1.158 30.573 31.823 -0.153 0.000 0.648 135 V HN 0.478 nan 8.190 nan 0.000 0.447 136 A N -0.236 122.397 122.820 -0.311 0.000 1.883 136 A HA -0.189 4.131 4.320 0.000 0.000 0.217 136 A C 2.396 179.837 177.584 -0.238 0.000 1.186 136 A CA 2.329 54.131 52.037 -0.392 0.000 0.624 136 A CB -0.746 17.621 19.000 -1.054 0.000 0.822 136 A HN 0.343 nan 8.150 nan 0.000 0.444 137 V N -0.463 119.338 119.914 -0.189 0.000 2.307 137 V HA -0.219 3.901 4.120 0.000 0.000 0.245 137 V C 2.582 178.489 176.094 -0.312 0.000 1.045 137 V CA 1.975 64.183 62.300 -0.154 0.000 1.024 137 V CB -0.802 31.025 31.823 0.006 0.000 0.651 137 V HN 0.376 nan 8.190 nan 0.000 0.449 138 V N -0.222 119.644 119.914 -0.080 0.000 2.343 138 V HA -0.238 3.882 4.120 0.000 0.000 0.247 138 V C 2.572 178.653 176.094 -0.022 0.000 1.051 138 V CA 2.248 64.587 62.300 0.065 0.000 1.036 138 V CB -0.752 31.071 31.823 -0.001 0.000 0.654 138 V HN 0.534 nan 8.190 nan 0.000 0.451 139 S N -1.262 114.370 115.700 -0.113 0.000 2.370 139 S HA -0.261 4.209 4.470 0.000 0.000 0.226 139 S C 2.009 176.501 174.600 -0.181 0.000 1.033 139 S CA 1.686 59.811 58.200 -0.126 0.000 1.011 139 S CB -0.525 62.597 63.200 -0.129 0.000 0.852 139 S HN 0.730 nan 8.310 nan 0.000 0.457 140 H N 0.257 119.082 119.070 -0.408 0.000 2.353 140 H HA -0.044 4.512 4.556 0.000 0.000 0.300 140 H C 1.844 177.001 175.328 -0.285 0.000 1.090 140 H CA 1.494 57.191 56.048 -0.585 0.000 1.327 140 H CB -0.348 28.535 29.762 -1.464 0.000 1.383 140 H HN 0.494 nan 8.280 nan 0.000 0.508 141 F N 0.507 120.434 119.950 -0.039 0.000 2.126 141 F HA -0.194 4.333 4.527 0.000 0.000 0.299 141 F C 2.814 178.590 175.800 -0.039 0.000 1.096 141 F CA 0.672 58.759 58.000 0.144 0.000 1.255 141 F CB -0.175 39.004 39.000 0.298 0.000 0.997 141 F HN 0.089 nan 8.300 nan 0.000 0.479 142 I N 0.088 120.699 120.570 0.069 0.000 2.315 142 I HA -0.251 3.919 4.170 0.000 0.000 0.248 142 I C 2.138 178.181 176.117 -0.123 0.000 1.117 142 I CA 1.379 62.650 61.300 -0.048 0.000 1.404 142 I CB -0.458 37.509 38.000 -0.055 0.000 1.071 142 I HN 0.158 nan 8.210 nan 0.000 0.419 143 E N 0.478 120.556 120.200 -0.202 0.000 2.051 143 E HA -0.268 4.082 4.350 0.000 0.000 0.192 143 E C 2.308 178.714 176.600 -0.324 0.000 0.991 143 E CA 1.247 57.496 56.400 -0.251 0.000 0.799 143 E CB -0.125 29.393 29.700 -0.303 0.000 0.748 143 E HN 0.335 nan 8.360 nan 0.000 0.449 144 R N -0.463 119.740 120.500 -0.494 0.000 2.075 144 R HA -0.097 4.243 4.340 0.000 0.000 0.226 144 R C 1.348 177.248 176.300 -0.668 0.000 1.114 144 R CA 1.287 56.986 56.100 -0.668 0.000 0.972 144 R CB 0.086 29.802 30.300 -0.974 0.000 0.869 144 R HN 0.242 nan 8.270 nan 0.000 0.437 145 Y N -1.077 119.184 120.300 -0.065 0.000 2.462 145 Y HA 0.381 4.931 4.550 0.000 0.000 0.253 145 Y C 0.754 176.599 175.900 -0.093 0.000 1.095 145 Y CA 0.256 58.330 58.100 -0.043 0.000 1.283 145 Y CB 1.200 39.663 38.460 0.005 0.000 1.138 145 Y HN 0.300 nan 8.280 nan 0.000 0.522 146 G N 0.685 109.467 108.800 -0.030 0.000 2.675 146 G HA2 -0.217 3.743 3.960 0.000 0.000 0.686 146 G HA3 -0.217 3.743 3.960 0.000 0.000 0.686 146 G C 0.024 174.872 174.900 -0.087 0.000 1.215 146 G CA -0.283 44.783 45.100 -0.057 0.000 0.777 146 G HN 0.133 nan 8.290 nan 0.000 0.638 147 I N 0.457 120.978 120.570 -0.082 0.000 2.315 147 I HA -0.017 4.153 4.170 0.000 0.000 0.248 147 I C 2.301 178.355 176.117 -0.104 0.000 1.117 147 I CA 2.517 63.764 61.300 -0.089 0.000 1.404 147 I CB -0.252 37.715 38.000 -0.055 0.000 1.071 147 I HN 0.793 nan 8.210 nan 0.000 0.419 148 E N 0.113 120.262 120.200 -0.084 0.000 2.038 148 E HA -0.337 4.013 4.350 0.000 0.000 0.195 148 E C 2.109 178.653 176.600 -0.092 0.000 1.000 148 E CA 1.836 58.191 56.400 -0.076 0.000 0.803 148 E CB -0.109 29.560 29.700 -0.051 0.000 0.750 148 E HN 0.547 nan 8.360 nan 0.000 0.448 149 E N 0.158 120.295 120.200 -0.105 0.000 2.058 149 E HA -0.148 4.202 4.350 0.000 0.000 0.194 149 E C 1.983 178.327 176.600 -0.427 0.000 0.997 149 E CA 1.468 57.788 56.400 -0.133 0.000 0.801 149 E CB -0.230 29.446 29.700 -0.040 0.000 0.746 149 E HN 0.110 nan 8.360 nan 0.000 0.450 150 V N 0.744 120.289 119.914 -0.615 0.000 2.548 150 V HA -0.118 4.002 4.120 0.000 0.000 0.249 150 V C 2.301 178.157 176.094 -0.396 0.000 1.055 150 V CA 1.747 63.412 62.300 -1.057 0.000 1.065 150 V CB -0.507 30.880 31.823 -0.726 0.000 0.681 150 V HN 0.231 nan 8.190 nan 0.000 0.462 151 R N 0.615 121.020 120.500 -0.158 0.000 2.200 151 R HA -0.147 4.193 4.340 0.000 0.000 0.234 151 R C 2.260 178.604 176.300 0.073 0.000 1.127 151 R CA 1.783 57.894 56.100 0.017 0.000 0.989 151 R CB -0.483 29.816 30.300 -0.002 0.000 0.869 151 R HN 0.752 nan 8.270 nan 0.000 0.459 152 T N -2.940 111.641 114.554 0.045 0.000 3.088 152 T HA -0.014 4.336 4.350 0.000 0.000 0.259 152 T C 0.431 175.332 174.700 0.335 0.000 1.122 152 T CA -0.201 62.008 62.100 0.180 0.000 1.095 152 T CB 0.025 69.003 68.868 0.183 0.000 0.930 152 T HN 0.050 nan 8.240 nan 0.000 0.508 153 W N 1.231 122.522 121.300 -0.015 0.000 2.086 153 W HA 0.673 5.333 4.660 0.000 0.000 0.355 153 W C 0.170 176.461 176.519 -0.381 0.000 1.313 153 W CA -2.236 54.978 57.345 -0.219 0.000 1.358 153 W CB -0.008 29.169 29.460 -0.471 0.000 1.166 153 W HN 0.077 nan 8.180 nan 0.000 0.630 154 L N 1.339 122.245 121.223 -0.528 0.000 2.362 154 L HA 0.504 4.845 4.340 0.000 0.000 0.271 154 L C -1.176 175.313 176.870 -0.635 0.000 1.002 154 L CA -0.892 53.551 54.840 -0.663 0.000 0.818 154 L CB 1.302 42.347 42.059 -1.690 0.000 1.298 154 L HN 0.084 nan 8.230 nan 0.000 0.420 155 F N 1.008 121.066 119.950 0.180 0.000 2.445 155 F HA 0.389 4.916 4.527 0.000 0.000 0.348 155 F C 0.215 176.290 175.800 0.458 0.000 1.125 155 F CA -0.536 57.598 58.000 0.223 0.000 0.983 155 F CB 1.599 40.743 39.000 0.239 0.000 1.198 155 F HN 0.392 nan 8.300 nan 0.000 0.436 156 E N 2.293 122.866 120.200 0.620 0.000 2.204 156 E HA 0.601 4.951 4.350 0.000 0.000 0.276 156 E C -1.294 175.645 176.600 0.565 0.000 0.974 156 E CA -0.739 56.049 56.400 0.647 0.000 0.815 156 E CB 1.825 31.894 29.700 0.614 0.000 1.119 156 E HN 0.382 nan 8.360 nan 0.000 0.393 157 V N 6.357 126.649 119.914 0.630 0.000 2.333 157 V HA 0.196 4.316 4.120 0.000 0.000 0.274 157 V C 0.110 176.657 176.094 0.755 0.000 1.028 157 V CA -0.356 62.389 62.300 0.743 0.000 0.851 157 V CB -0.189 32.054 31.823 0.700 0.000 1.000 157 V HN 0.807 nan 8.190 nan 0.000 0.456 158 W N 3.592 125.133 121.300 0.400 0.000 3.082 158 W HA -0.257 4.403 4.660 0.000 0.000 0.313 158 W C -0.208 176.367 176.519 0.093 0.000 0.322 158 W CA 0.842 58.327 57.345 0.232 0.000 0.459 158 W CB -0.162 29.394 29.460 0.161 0.000 2.841 158 W HN 0.766 nan 8.180 nan 0.000 0.416 159 N N 0.815 119.468 118.700 -0.077 0.000 2.478 159 N HA 0.238 4.978 4.740 0.000 0.000 0.291 159 N C -1.024 174.332 175.510 -0.256 0.000 1.090 159 N CA 0.337 53.277 53.050 -0.184 0.000 0.911 159 N CB 0.994 39.295 38.487 -0.309 0.000 1.546 159 N HN 0.350 nan 8.380 nan 0.000 0.500 160 E N 1.560 121.517 120.200 -0.405 0.000 2.199 160 E HA -0.169 4.181 4.350 0.000 0.000 0.208 160 E C -1.730 174.712 176.600 -0.264 0.000 1.310 160 E CA 0.350 56.476 56.400 -0.456 0.000 0.709 160 E CB -0.586 28.754 29.700 -0.600 0.000 1.127 160 E HN 0.624 nan 8.360 nan 0.000 0.354 161 P HA -0.168 nan 4.420 nan 0.000 0.230 161 P C 0.766 177.835 177.300 -0.385 0.000 1.158 161 P CA 1.071 63.977 63.100 -0.323 0.000 0.769 161 P CB 0.060 31.211 31.700 -0.916 0.000 0.807 162 N N -0.030 118.108 118.700 -0.936 0.000 2.398 162 N HA -0.006 4.734 4.740 0.000 0.000 0.188 162 N C 0.271 175.604 175.510 -0.294 0.000 1.122 162 N CA 0.184 52.607 53.050 -1.045 0.000 0.866 162 N CB -0.396 37.083 38.487 -1.679 0.000 0.970 162 N HN 0.223 nan 8.380 nan 0.000 0.462 163 L N 0.813 121.968 121.223 -0.112 0.000 2.307 163 L HA 0.314 4.654 4.340 0.000 0.000 0.284 163 L C 1.348 178.288 176.870 0.116 0.000 1.023 163 L CA -0.731 54.130 54.840 0.035 0.000 0.810 163 L CB 2.437 44.576 42.059 0.133 0.000 1.231 163 L HN -0.270 nan 8.230 nan 0.000 0.423 164 V N 2.194 122.141 119.914 0.055 0.000 2.568 164 V HA -0.258 3.862 4.120 0.000 0.000 0.253 164 V C 2.004 178.074 176.094 -0.040 0.000 1.072 164 V CA 1.631 63.945 62.300 0.023 0.000 1.084 164 V CB -0.617 31.198 31.823 -0.013 0.000 0.676 164 V HN 0.799 nan 8.190 nan 0.000 0.469 165 N N -0.536 118.095 118.700 -0.115 0.000 2.364 165 N HA -0.120 4.620 4.740 0.000 0.000 0.183 165 N C 1.539 176.739 175.510 -0.516 0.000 1.022 165 N CA 1.540 54.374 53.050 -0.359 0.000 0.883 165 N CB -0.133 38.040 38.487 -0.523 0.000 0.965 165 N HN 0.519 nan 8.380 nan 0.000 0.438 166 F N -1.852 118.047 119.950 -0.085 0.000 2.727 166 F HA 0.268 4.795 4.527 0.000 0.000 0.302 166 F C 0.541 176.592 175.800 0.419 0.000 1.107 166 F CA -0.360 57.619 58.000 -0.035 0.000 1.277 166 F CB 0.989 39.978 39.000 -0.017 0.000 1.079 166 F HN -0.009 nan 8.300 nan 0.000 0.594 167 W N 2.234 123.681 121.300 0.245 0.000 3.216 167 W HA 0.230 4.890 4.660 0.000 0.000 0.335 167 W C -1.122 175.432 176.519 0.059 0.000 1.077 167 W CA -1.304 56.169 57.345 0.213 0.000 1.252 167 W CB 0.966 30.539 29.460 0.188 0.000 1.312 167 W HN -0.358 nan 8.180 nan 0.000 0.446 168 K N 5.789 125.979 120.400 -0.351 0.000 2.504 168 K HA -0.118 4.202 4.320 0.000 0.000 0.278 168 K C 0.575 176.958 176.600 -0.362 0.000 1.025 168 K CA 1.663 57.734 56.287 -0.359 0.000 1.093 168 K CB 0.410 32.651 32.500 -0.433 0.000 0.873 168 K HN 0.568 nan 8.250 nan 0.000 0.483 169 D N 2.524 122.820 120.400 -0.174 0.000 3.077 169 D HA -0.278 4.362 4.640 0.000 0.000 0.217 169 D C 0.168 176.466 176.300 -0.002 0.000 1.162 169 D CA 1.281 55.223 54.000 -0.098 0.000 0.943 169 D CB -1.573 39.153 40.800 -0.123 0.000 1.122 169 D HN 0.923 nan 8.370 nan 0.000 0.413 170 A N -0.310 122.556 122.820 0.076 0.000 2.665 170 A HA -0.322 3.998 4.320 0.000 0.000 0.301 170 A C 0.467 178.316 177.584 0.442 0.000 1.509 170 A CA 1.176 53.408 52.037 0.325 0.000 0.789 170 A CB -1.558 17.591 19.000 0.248 0.000 1.024 170 A HN 0.453 nan 8.150 nan 0.000 0.460 171 N N 0.312 119.167 118.700 0.258 0.000 2.406 171 N HA 0.106 4.846 4.740 0.000 0.000 0.265 171 N C 0.994 176.647 175.510 0.238 0.000 1.203 171 N CA 0.635 53.766 53.050 0.135 0.000 0.945 171 N CB 0.673 39.115 38.487 -0.074 0.000 1.165 171 N HN 0.638 nan 8.380 nan 0.000 0.485 172 K N 3.007 123.294 120.400 -0.187 0.000 2.002 172 K HA -0.154 4.166 4.320 0.000 0.000 0.209 172 K C 1.156 177.237 176.600 -0.864 0.000 1.048 172 K CA 1.217 56.964 56.287 -0.900 0.000 0.930 172 K CB 0.187 31.837 32.500 -1.417 0.000 0.714 172 K HN 0.529 nan 8.250 nan 0.000 0.438 173 Q N 0.556 120.046 119.800 -0.517 0.000 2.124 173 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 173 Q C 1.958 177.882 176.000 -0.127 0.000 0.977 173 Q CA 1.464 57.078 55.803 -0.314 0.000 0.850 173 Q CB -0.214 28.450 28.738 -0.124 0.000 0.901 173 Q HN 0.371 nan 8.270 nan 0.000 0.429 174 E N 0.078 120.286 120.200 0.014 0.000 2.072 174 E HA -0.170 4.180 4.350 0.000 0.000 0.191 174 E C 1.772 178.585 176.600 0.354 0.000 0.985 174 E CA 0.818 57.332 56.400 0.191 0.000 0.801 174 E CB -0.361 29.452 29.700 0.189 0.000 0.750 174 E HN 0.401 nan 8.360 nan 0.000 0.452 175 Y N -0.032 120.439 120.300 0.285 0.000 2.181 175 Y HA -0.189 4.361 4.550 0.000 0.000 0.288 175 Y C 1.776 177.693 175.900 0.028 0.000 1.146 175 Y CA 1.837 59.868 58.100 -0.115 0.000 1.164 175 Y CB -0.482 37.808 38.460 -0.283 0.000 0.982 175 Y HN 0.105 nan 8.280 nan 0.000 0.515 176 F N 0.311 120.060 119.950 -0.334 0.000 2.161 176 F HA -0.249 4.278 4.527 0.000 0.000 0.300 176 F C 2.601 178.083 175.800 -0.529 0.000 1.089 176 F CA 1.216 58.771 58.000 -0.742 0.000 1.282 176 F CB -0.272 37.894 39.000 -1.390 0.000 1.010 176 F HN 0.019 nan 8.300 nan 0.000 0.485 177 K N 1.043 121.377 120.400 -0.109 0.000 2.025 177 K HA -0.182 4.138 4.320 0.000 0.000 0.207 177 K C 2.166 178.699 176.600 -0.111 0.000 1.049 177 K CA 0.856 57.089 56.287 -0.090 0.000 0.933 177 K CB -0.270 32.103 32.500 -0.212 0.000 0.714 177 K HN 0.247 nan 8.250 nan 0.000 0.438 178 L N 0.660 121.828 121.223 -0.091 0.000 2.017 178 L HA -0.231 4.109 4.340 0.000 0.000 0.208 178 L C 2.319 179.143 176.870 -0.076 0.000 1.073 178 L CA 1.816 56.629 54.840 -0.045 0.000 0.745 178 L CB -0.637 41.247 42.059 -0.290 0.000 0.894 178 L HN 0.311 nan 8.230 nan 0.000 0.432 179 Y N 1.204 121.295 120.300 -0.348 0.000 2.081 179 Y HA -0.365 4.185 4.550 0.000 0.000 0.280 179 Y C 2.703 178.643 175.900 0.066 0.000 1.163 179 Y CA 2.471 60.479 58.100 -0.154 0.000 1.135 179 Y CB -0.321 38.010 38.460 -0.214 0.000 0.970 179 Y HN 0.345 nan 8.280 nan 0.000 0.498 180 E N -0.565 119.713 120.200 0.131 0.000 2.038 180 E HA -0.216 4.134 4.350 0.000 0.000 0.195 180 E C 2.127 178.730 176.600 0.004 0.000 1.000 180 E CA 2.114 58.590 56.400 0.127 0.000 0.803 180 E CB -0.332 29.543 29.700 0.290 0.000 0.750 180 E HN 0.354 nan 8.360 nan 0.000 0.448 181 V N 0.775 120.718 119.914 0.049 0.000 2.282 181 V HA -0.307 3.813 4.120 0.000 0.000 0.249 181 V C 2.395 178.542 176.094 0.089 0.000 1.057 181 V CA 2.313 64.677 62.300 0.108 0.000 1.032 181 V CB -0.857 31.129 31.823 0.272 0.000 0.645 181 V HN 0.426 nan 8.190 nan 0.000 0.447 182 T N 0.146 114.757 114.554 0.095 0.000 2.770 182 T HA -0.056 4.294 4.350 0.000 0.000 0.263 182 T C 2.108 176.729 174.700 -0.132 0.000 1.039 182 T CA 1.388 63.504 62.100 0.027 0.000 1.142 182 T CB -0.468 68.517 68.868 0.195 0.000 0.868 182 T HN 0.556 nan 8.240 nan 0.000 0.435 183 A N 2.179 124.830 122.820 -0.282 0.000 1.892 183 A HA -0.187 4.133 4.320 0.000 0.000 0.218 183 A C 2.398 179.900 177.584 -0.137 0.000 1.188 183 A CA 1.582 53.453 52.037 -0.277 0.000 0.631 183 A CB -0.535 18.172 19.000 -0.488 0.000 0.822 183 A HN 0.410 nan 8.150 nan 0.000 0.447 184 R N -0.762 119.675 120.500 -0.105 0.000 2.092 184 R HA -0.007 4.333 4.340 0.000 0.000 0.231 184 R C 2.519 178.774 176.300 -0.075 0.000 1.119 184 R CA 1.024 57.083 56.100 -0.068 0.000 0.970 184 R CB -0.476 29.799 30.300 -0.042 0.000 0.864 184 R HN 0.525 nan 8.270 nan 0.000 0.440 185 A N 1.002 123.768 122.820 -0.089 0.000 1.883 185 A HA -0.143 4.177 4.320 0.000 0.000 0.217 185 A C 2.385 179.883 177.584 -0.144 0.000 1.186 185 A CA 1.595 53.560 52.037 -0.120 0.000 0.624 185 A CB -0.709 18.188 19.000 -0.172 0.000 0.822 185 A HN 0.103 nan 8.150 nan 0.000 0.444 186 V N 0.574 120.392 119.914 -0.160 0.000 2.287 186 V HA -0.275 3.845 4.120 0.000 0.000 0.248 186 V C 2.498 178.514 176.094 -0.130 0.000 1.053 186 V CA 2.287 64.484 62.300 -0.171 0.000 1.027 186 V CB -0.635 31.091 31.823 -0.161 0.000 0.646 186 V HN 0.450 nan 8.190 nan 0.000 0.447 187 K N 0.735 121.079 120.400 -0.094 0.000 2.211 187 K HA -0.070 4.250 4.320 0.000 0.000 0.203 187 K C 2.435 178.994 176.600 -0.068 0.000 1.050 187 K CA 1.530 57.775 56.287 -0.071 0.000 0.945 187 K CB -0.608 31.858 32.500 -0.057 0.000 0.732 187 K HN 0.690 nan 8.250 nan 0.000 0.451 188 S N 0.461 116.119 115.700 -0.070 0.000 2.423 188 S HA -0.075 4.395 4.470 0.000 0.000 0.231 188 S C 2.162 176.726 174.600 -0.060 0.000 1.014 188 S CA 0.985 59.149 58.200 -0.060 0.000 0.965 188 S CB -0.491 62.674 63.200 -0.057 0.000 0.785 188 S HN -0.017 nan 8.310 nan 0.000 0.495 189 V N 1.352 121.223 119.914 -0.073 0.000 2.283 189 V HA 0.130 4.250 4.120 0.000 0.000 0.243 189 V C 0.721 176.788 176.094 -0.045 0.000 1.039 189 V CA 1.600 63.861 62.300 -0.065 0.000 1.016 189 V CB -0.792 30.982 31.823 -0.081 0.000 0.650 189 V HN 0.630 nan 8.190 nan 0.000 0.449 190 D N -1.201 119.173 120.400 -0.043 0.000 2.891 190 D HA 0.298 4.938 4.640 0.000 0.000 0.224 190 D C -2.299 173.988 176.300 -0.022 0.000 1.321 190 D CA -1.367 52.629 54.000 -0.007 0.000 0.929 190 D CB 2.256 43.075 40.800 0.031 0.000 1.551 190 D HN -0.059 nan 8.370 nan 0.000 0.574 191 P HA -0.076 nan 4.420 nan 0.000 0.230 191 P C 0.442 177.631 177.300 -0.185 0.000 1.158 191 P CA 0.893 63.905 63.100 -0.146 0.000 0.769 191 P CB 0.097 31.669 31.700 -0.214 0.000 0.807 192 H N -1.106 117.975 119.070 0.018 0.000 2.551 192 H HA 0.162 4.718 4.556 0.000 0.000 0.266 192 H C 1.017 176.388 175.328 0.072 0.000 0.977 192 H CA -0.184 55.888 56.048 0.041 0.000 1.163 192 H CB -0.507 29.275 29.762 0.033 0.000 1.381 192 H HN 0.098 nan 8.280 nan 0.000 0.581 193 L N 1.449 122.759 121.223 0.146 0.000 2.439 193 L HA 0.092 4.432 4.340 0.000 0.000 0.269 193 L C 0.087 177.093 176.870 0.227 0.000 1.179 193 L CA 0.042 54.990 54.840 0.181 0.000 0.828 193 L CB 0.698 42.771 42.059 0.022 0.000 1.106 193 L HN 0.245 nan 8.230 nan 0.000 0.467 194 Q N 2.132 122.162 119.800 0.384 0.000 2.290 194 Q HA 0.549 4.889 4.340 0.000 0.000 0.259 194 Q C -0.954 175.371 176.000 0.541 0.000 0.941 194 Q CA -0.383 55.659 55.803 0.400 0.000 0.912 194 Q CB 2.735 31.699 28.738 0.377 0.000 1.244 194 Q HN 0.396 nan 8.270 nan 0.000 0.441 195 V N 1.722 121.849 119.914 0.354 0.000 2.789 195 V HA 0.959 5.079 4.120 0.000 0.000 0.311 195 V C -0.608 175.438 176.094 -0.079 0.000 1.073 195 V CA -0.167 62.304 62.300 0.285 0.000 0.921 195 V CB 1.866 33.819 31.823 0.217 0.000 1.009 195 V HN 0.867 nan 8.190 nan 0.000 0.426 196 G N 2.922 111.520 108.800 -0.337 0.000 2.606 196 G HA2 0.867 4.827 3.960 0.000 0.000 0.300 196 G HA3 0.867 4.827 3.960 0.000 0.000 0.300 196 G C -0.494 174.357 174.900 -0.082 0.000 1.360 196 G CA -0.081 44.576 45.100 -0.738 0.000 0.783 196 G HN 1.576 nan 8.290 nan 0.000 0.484 197 G N -1.684 107.036 108.800 -0.134 0.000 2.430 197 G HA2 0.622 4.582 3.960 0.000 0.000 0.300 197 G HA3 0.622 4.582 3.960 0.000 0.000 0.300 197 G C -2.940 171.614 174.900 -0.577 0.000 1.330 197 G CA -0.097 44.886 45.100 -0.195 0.000 0.813 197 G HN 0.515 nan 8.290 nan 0.000 0.487 198 P HA 0.334 nan 4.420 nan 0.000 0.266 198 P C 0.763 177.794 177.300 -0.448 0.000 1.381 198 P CA 0.896 63.604 63.100 -0.653 0.000 0.940 198 P CB 0.988 32.291 31.700 -0.662 0.000 1.435 199 A N 0.677 123.306 122.820 -0.317 0.000 2.783 199 A HA -0.198 4.122 4.320 0.000 0.000 0.292 199 A C 0.510 177.671 177.584 -0.706 0.000 1.495 199 A CA 0.719 52.512 52.037 -0.407 0.000 0.787 199 A CB -2.677 16.209 19.000 -0.191 0.000 1.017 199 A HN 0.522 nan 8.150 nan 0.000 0.516 200 I N -2.171 118.032 120.570 -0.612 0.000 2.662 200 I HA 0.587 4.757 4.170 0.000 0.000 0.291 200 I C 1.092 176.887 176.117 -0.537 0.000 1.046 200 I CA -0.783 60.152 61.300 -0.608 0.000 1.361 200 I CB 0.966 38.642 38.000 -0.541 0.000 1.429 200 I HN 0.704 nan 8.210 nan 0.000 0.558 201 C N 3.302 122.363 119.300 -0.399 0.000 2.470 201 C HA 0.771 5.231 4.460 0.000 0.000 0.350 201 C C 1.241 176.161 174.990 -0.117 0.000 1.341 201 C CA -0.201 58.718 59.018 -0.165 0.000 2.440 201 C CB 0.075 27.783 27.740 -0.053 0.000 2.295 201 C HN 1.075 nan 8.230 nan 0.000 0.645 202 G N -0.471 108.330 108.800 0.002 0.000 2.732 202 G HA2 0.456 4.416 3.960 0.000 0.000 0.244 202 G HA3 0.456 4.416 3.960 0.000 0.000 0.244 202 G C 1.134 176.032 174.900 -0.003 0.000 1.226 202 G CA 0.281 45.394 45.100 0.023 0.000 0.860 202 G HN 2.605 nan 8.290 nan 0.000 0.583 203 G N -1.827 106.986 108.800 0.021 0.000 2.157 203 G HA2 0.005 3.965 3.960 0.000 0.000 0.248 203 G HA3 0.005 3.965 3.960 0.000 0.000 0.248 203 G C 0.534 175.448 174.900 0.023 0.000 0.979 203 G CA 0.974 46.090 45.100 0.026 0.000 0.650 203 G HN 2.174 nan 8.290 nan 0.000 0.529 204 S N -0.908 114.800 115.700 0.012 0.000 2.630 204 S HA 0.378 4.848 4.470 0.000 0.000 0.173 204 S C 0.147 174.821 174.600 0.122 0.000 1.048 204 S CA 0.314 58.556 58.200 0.071 0.000 1.172 204 S CB 0.714 63.940 63.200 0.043 0.000 1.638 204 S HN -0.024 nan 8.310 nan 0.000 0.429 205 D N 2.248 122.710 120.400 0.104 0.000 2.351 205 D HA -0.059 4.581 4.640 0.000 0.000 0.216 205 D C 1.586 177.993 176.300 0.177 0.000 0.968 205 D CA 0.772 54.843 54.000 0.119 0.000 0.899 205 D CB 0.129 40.977 40.800 0.080 0.000 0.907 205 D HN 0.738 nan 8.370 nan 0.000 0.514 206 E N -0.343 119.976 120.200 0.199 0.000 2.147 206 E HA -0.217 4.133 4.350 0.000 0.000 0.199 206 E C 1.746 178.521 176.600 0.292 0.000 1.005 206 E CA 0.942 57.465 56.400 0.205 0.000 0.810 206 E CB -0.171 29.628 29.700 0.165 0.000 0.736 206 E HN 0.416 nan 8.360 nan 0.000 0.460 207 W N 0.668 122.032 121.300 0.106 0.000 2.350 207 W HA -0.110 4.551 4.660 0.000 0.000 0.289 207 W C 1.998 178.649 176.519 0.220 0.000 1.215 207 W CA 0.655 58.103 57.345 0.171 0.000 1.236 207 W CB -0.403 29.099 29.460 0.069 0.000 1.130 207 W HN 0.076 nan 8.180 nan 0.000 0.541 208 I N -0.506 120.287 120.570 0.372 0.000 2.163 208 I HA -0.333 3.837 4.170 0.000 0.000 0.240 208 I C 2.768 179.075 176.117 0.318 0.000 1.081 208 I CA 1.990 63.474 61.300 0.307 0.000 1.353 208 I CB -1.110 37.003 38.000 0.188 0.000 1.054 208 I HN -0.012 nan 8.210 nan 0.000 0.407 209 T N -0.713 113.984 114.554 0.238 0.000 2.759 209 T HA -0.226 4.124 4.350 0.000 0.000 0.269 209 T C 1.567 176.395 174.700 0.214 0.000 1.042 209 T CA 1.998 64.215 62.100 0.194 0.000 1.140 209 T CB -0.332 68.612 68.868 0.127 0.000 0.864 209 T HN 0.214 nan 8.240 nan 0.000 0.455 210 D N -0.083 120.465 120.400 0.247 0.000 2.144 210 D HA 0.021 4.661 4.640 0.000 0.000 0.200 210 D C 1.563 177.996 176.300 0.222 0.000 0.978 210 D CA 0.710 54.868 54.000 0.263 0.000 0.833 210 D CB -0.553 40.420 40.800 0.289 0.000 0.961 210 D HN 0.512 nan 8.370 nan 0.000 0.470 211 F N 1.406 121.403 119.950 0.079 0.000 2.075 211 F HA -0.098 4.429 4.527 0.000 0.000 0.297 211 F C 2.014 177.730 175.800 -0.141 0.000 1.113 211 F CA 1.184 59.041 58.000 -0.239 0.000 1.218 211 F CB -0.380 38.648 39.000 0.047 0.000 0.984 211 F HN -0.127 nan 8.300 nan 0.000 0.472 212 L N -0.524 120.681 121.223 -0.030 0.000 2.131 212 L HA -0.214 4.126 4.340 0.000 0.000 0.210 212 L C 2.475 179.402 176.870 0.096 0.000 1.092 212 L CA 1.603 56.448 54.840 0.008 0.000 0.759 212 L CB -1.067 41.133 42.059 0.235 0.000 0.903 212 L HN 0.290 nan 8.230 nan 0.000 0.435 213 H N -0.032 119.036 119.070 -0.003 0.000 2.299 213 H HA -0.257 4.299 4.556 0.000 0.000 0.302 213 H C 2.079 177.375 175.328 -0.053 0.000 1.078 213 H CA 2.027 58.065 56.048 -0.018 0.000 1.323 213 H CB -0.232 29.539 29.762 0.016 0.000 1.381 213 H HN 0.214 nan 8.280 nan 0.000 0.498 214 F N 0.598 120.409 119.950 -0.232 0.000 2.063 214 F HA -0.338 4.189 4.527 0.000 0.000 0.298 214 F C 2.406 178.006 175.800 -0.335 0.000 1.109 214 F CA 1.954 59.744 58.000 -0.351 0.000 1.212 214 F CB -0.994 37.582 39.000 -0.707 0.000 0.973 214 F HN 0.313 nan 8.300 nan 0.000 0.480 215 C N 0.537 119.678 119.300 -0.266 0.000 2.429 215 C HA -0.109 4.351 4.460 0.000 0.000 0.277 215 C C 3.167 178.106 174.990 -0.085 0.000 1.262 215 C CA 1.162 60.029 59.018 -0.253 0.000 1.733 215 C CB -1.917 25.604 27.740 -0.365 0.000 2.010 215 C HN 0.680 nan 8.230 nan 0.000 0.483 216 A N 0.155 122.954 122.820 -0.034 0.000 1.897 216 A HA -0.147 4.173 4.320 0.000 0.000 0.215 216 A C 2.087 179.506 177.584 -0.274 0.000 1.181 216 A CA 1.340 53.279 52.037 -0.163 0.000 0.620 216 A CB -0.542 18.233 19.000 -0.374 0.000 0.821 216 A HN 0.668 nan 8.150 nan 0.000 0.443 217 E N -0.385 119.576 120.200 -0.399 0.000 2.051 217 E HA -0.166 4.184 4.350 0.000 0.000 0.192 217 E C 1.913 178.318 176.600 -0.325 0.000 0.991 217 E CA 1.096 57.270 56.400 -0.377 0.000 0.799 217 E CB -0.128 29.320 29.700 -0.420 0.000 0.748 217 E HN 0.496 nan 8.360 nan 0.000 0.449 218 R N 0.064 120.295 120.500 -0.448 0.000 2.317 218 R HA 0.163 4.503 4.340 0.000 0.000 0.208 218 R C -0.004 176.130 176.300 -0.277 0.000 0.914 218 R CA -0.083 55.767 56.100 -0.416 0.000 1.060 218 R CB 0.216 30.096 30.300 -0.699 0.000 1.015 218 R HN 0.040 nan 8.270 nan 0.000 0.498 219 R N 0.280 120.653 120.500 -0.212 0.000 3.267 219 R HA -0.126 4.214 4.340 0.000 0.000 0.254 219 R C -0.927 175.319 176.300 -0.089 0.000 0.993 219 R CA 0.214 56.250 56.100 -0.107 0.000 0.670 219 R CB -1.798 28.449 30.300 -0.088 0.000 1.125 219 R HN -0.026 nan 8.270 nan 0.000 0.434 220 V N 1.236 121.085 119.914 -0.108 0.000 2.465 220 V HA 0.296 4.416 4.120 0.000 0.000 0.279 220 V C -1.563 174.528 176.094 -0.004 0.000 1.045 220 V CA -1.765 60.510 62.300 -0.042 0.000 0.938 220 V CB 1.511 33.345 31.823 0.019 0.000 0.986 220 V HN 0.068 nan 8.190 nan 0.000 0.467 221 P HA 0.283 nan 4.420 nan 0.000 0.268 221 P C -0.972 176.350 177.300 0.036 0.000 1.204 221 P CA 0.053 63.153 63.100 0.000 0.000 0.768 221 P CB 0.653 32.355 31.700 0.004 0.000 0.842 222 V N 3.178 123.023 119.914 -0.116 0.000 2.733 222 V HA 0.230 4.350 4.120 0.000 0.000 0.306 222 V C 0.064 176.074 176.094 -0.141 0.000 1.084 222 V CA -0.326 61.894 62.300 -0.132 0.000 0.905 222 V CB 2.278 33.819 31.823 -0.470 0.000 1.010 222 V HN 0.489 nan 8.190 nan 0.000 0.424 223 D N 2.667 123.051 120.400 -0.026 0.000 2.449 223 D HA 0.231 4.871 4.640 0.000 0.000 0.210 223 D C -0.110 176.350 176.300 0.268 0.000 1.094 223 D CA 0.882 54.953 54.000 0.117 0.000 0.846 223 D CB 1.390 42.327 40.800 0.227 0.000 1.003 223 D HN 0.514 nan 8.370 nan 0.000 0.504 224 F N -1.082 118.965 119.950 0.161 0.000 2.713 224 F HA 0.559 5.086 4.527 0.000 0.000 0.311 224 F C -1.647 174.274 175.800 0.202 0.000 1.141 224 F CA -1.385 56.715 58.000 0.168 0.000 0.939 224 F CB 0.922 40.081 39.000 0.265 0.000 1.325 224 F HN -0.388 nan 8.300 nan 0.000 0.453 225 V N 2.054 122.221 119.914 0.422 0.000 2.513 225 V HA 0.767 4.887 4.120 0.000 0.000 0.299 225 V C -0.474 175.848 176.094 0.381 0.000 1.035 225 V CA -0.246 62.228 62.300 0.290 0.000 0.889 225 V CB 1.544 33.482 31.823 0.192 0.000 0.988 225 V HN 1.064 nan 8.190 nan 0.000 0.440 226 S N 5.306 121.157 115.700 0.252 0.000 2.542 226 S HA 0.899 5.370 4.470 0.000 0.000 0.293 226 S C -0.811 173.776 174.600 -0.022 0.000 1.089 226 S CA -0.876 57.447 58.200 0.205 0.000 0.961 226 S CB 2.700 66.121 63.200 0.367 0.000 1.062 226 S HN 0.786 nan 8.310 nan 0.000 0.483 227 R N 0.658 121.133 120.500 -0.040 0.000 2.692 227 R HA 0.353 4.693 4.340 0.000 0.000 0.269 227 R C -1.647 174.652 176.300 -0.002 0.000 1.030 227 R CA -0.531 55.485 56.100 -0.141 0.000 0.882 227 R CB 1.699 31.955 30.300 -0.074 0.000 1.250 227 R HN 1.004 nan 8.270 nan 0.000 0.465 228 H N -0.078 118.930 119.070 -0.104 0.000 2.499 228 H HA 0.672 5.228 4.556 0.000 0.000 0.340 228 H C -0.731 174.573 175.328 -0.040 0.000 1.148 228 H CA -1.007 54.975 56.048 -0.110 0.000 1.215 228 H CB 2.164 31.865 29.762 -0.103 0.000 1.529 228 H HN 0.599 nan 8.280 nan 0.000 0.510 229 A N 2.970 125.811 122.820 0.034 0.000 2.353 229 A HA 0.560 4.880 4.320 0.000 0.000 0.299 229 A C -1.717 175.781 177.584 -0.143 0.000 1.089 229 A CA -0.469 51.626 52.037 0.096 0.000 0.736 229 A CB 0.466 19.656 19.000 0.317 0.000 1.195 229 A HN 0.617 nan 8.150 nan 0.000 0.447 230 Y N 0.014 120.460 120.300 0.244 0.000 2.605 230 Y HA 0.564 5.114 4.550 0.000 0.000 0.343 230 Y C 1.307 177.346 175.900 0.231 0.000 1.036 230 Y CA -0.012 58.244 58.100 0.260 0.000 1.065 230 Y CB 2.609 41.277 38.460 0.346 0.000 1.288 230 Y HN 0.643 nan 8.280 nan 0.000 0.481 231 T N -3.679 111.096 114.554 0.367 0.000 3.091 231 T HA 0.181 4.531 4.350 0.000 0.000 0.277 231 T C -0.042 174.776 174.700 0.196 0.000 0.996 231 T CA -0.217 62.037 62.100 0.258 0.000 0.897 231 T CB -0.377 68.649 68.868 0.263 0.000 1.109 231 T HN 0.454 nan 8.240 nan 0.000 0.534 232 S N 1.064 116.876 115.700 0.187 0.000 2.554 232 S HA 0.585 5.055 4.470 0.000 0.000 0.278 232 S C -0.166 174.515 174.600 0.136 0.000 1.242 232 S CA -0.954 57.281 58.200 0.058 0.000 1.051 232 S CB 1.614 64.720 63.200 -0.157 0.000 0.986 232 S HN 0.344 nan 8.310 nan 0.000 0.502 233 K N 0.971 121.439 120.400 0.113 0.000 2.117 233 K HA 0.570 4.890 4.320 0.000 0.000 0.240 233 K C 0.459 177.150 176.600 0.151 0.000 1.031 233 K CA -0.513 55.865 56.287 0.153 0.000 0.909 233 K CB 0.396 32.973 32.500 0.127 0.000 1.097 233 K HN 0.836 nan 8.250 nan 0.000 0.492 234 A N 2.549 125.476 122.820 0.178 0.000 2.531 234 A HA 0.122 4.442 4.320 0.000 0.000 0.236 234 A C -2.025 175.606 177.584 0.078 0.000 1.062 234 A CA -0.883 51.251 52.037 0.161 0.000 0.760 234 A CB -0.722 18.353 19.000 0.125 0.000 0.995 234 A HN 0.395 nan 8.150 nan 0.000 0.501 235 P HA 0.052 nan 4.420 nan 0.000 0.268 235 P C 0.108 177.364 177.300 -0.072 0.000 1.205 235 P CA 0.351 63.376 63.100 -0.126 0.000 0.771 235 P CB 0.314 31.809 31.700 -0.340 0.000 0.858 236 H N 1.375 120.444 119.070 -0.003 0.000 2.648 236 H HA 0.348 4.904 4.556 0.000 0.000 0.265 236 H C 0.091 175.432 175.328 0.022 0.000 0.961 236 H CA -0.099 55.953 56.048 0.007 0.000 1.185 236 H CB 0.975 30.745 29.762 0.013 0.000 1.449 236 H HN 0.323 nan 8.280 nan 0.000 0.523 237 K N 0.972 121.270 120.400 -0.169 0.000 2.525 237 K HA 0.332 4.652 4.320 0.000 0.000 0.254 237 K C -1.470 175.131 176.600 0.001 0.000 0.934 237 K CA -0.656 55.635 56.287 0.006 0.000 0.802 237 K CB 2.586 35.156 32.500 0.117 0.000 1.295 237 K HN -0.020 nan 8.250 nan 0.000 0.433 238 K N 2.136 122.540 120.400 0.006 0.000 2.345 238 K HA 0.339 4.659 4.320 0.000 0.000 0.255 238 K C -0.913 175.749 176.600 0.103 0.000 0.934 238 K CA -0.768 55.516 56.287 -0.005 0.000 0.801 238 K CB 2.295 34.721 32.500 -0.123 0.000 1.137 238 K HN 0.537 nan 8.250 nan 0.000 0.424 239 T N 1.017 115.644 114.554 0.121 0.000 2.949 239 T HA 0.261 4.611 4.350 0.000 0.000 0.287 239 T C 1.082 175.800 174.700 0.030 0.000 1.034 239 T CA -0.687 61.465 62.100 0.086 0.000 1.018 239 T CB 0.374 69.270 68.868 0.048 0.000 1.135 239 T HN 0.492 nan 8.240 nan 0.000 0.532 240 F N 0.912 120.872 119.950 0.016 0.000 2.307 240 F HA -0.001 4.526 4.527 0.000 0.000 0.301 240 F C 1.433 177.198 175.800 -0.059 0.000 1.076 240 F CA 1.485 59.482 58.000 -0.006 0.000 1.383 240 F CB -0.408 38.584 39.000 -0.013 0.000 1.055 240 F HN 0.689 nan 8.300 nan 0.000 0.526 241 E N -1.750 117.919 120.200 -0.885 0.000 2.601 241 E HA 0.217 4.567 4.350 0.000 0.000 0.219 241 E C -0.647 175.559 176.600 -0.657 0.000 0.964 241 E CA -0.363 55.539 56.400 -0.829 0.000 1.050 241 E CB -0.162 28.803 29.700 -1.225 0.000 1.068 241 E HN 0.508 nan 8.360 nan 0.000 0.496 242 Y N -0.092 120.056 120.300 -0.253 0.000 2.512 242 Y HA 0.470 5.020 4.550 0.000 0.000 0.348 242 Y C -1.037 174.814 175.900 -0.080 0.000 0.990 242 Y CA -1.605 56.316 58.100 -0.298 0.000 1.033 242 Y CB 1.627 39.730 38.460 -0.596 0.000 1.259 242 Y HN -0.079 nan 8.280 nan 0.000 0.461 243 Y N 1.552 121.717 120.300 -0.226 0.000 2.352 243 Y HA 0.408 4.958 4.550 0.000 0.000 0.339 243 Y C -1.044 174.622 175.900 -0.389 0.000 0.992 243 Y CA -1.917 56.048 58.100 -0.226 0.000 1.100 243 Y CB 1.018 39.384 38.460 -0.157 0.000 1.192 243 Y HN 0.472 nan 8.280 nan 0.000 0.458 244 Y N 2.299 122.523 120.300 -0.126 0.000 2.352 244 Y HA 0.568 5.118 4.550 0.000 0.000 0.339 244 Y C -0.173 175.452 175.900 -0.460 0.000 0.992 244 Y CA -0.689 57.237 58.100 -0.291 0.000 1.100 244 Y CB 1.785 40.042 38.460 -0.338 0.000 1.192 244 Y HN 0.453 nan 8.280 nan 0.000 0.458 245 Q N 1.710 121.455 119.800 -0.091 0.000 2.359 245 Q HA 0.248 4.588 4.340 0.000 0.000 0.274 245 Q C -1.329 174.760 176.000 0.149 0.000 1.074 245 Q CA -1.113 54.685 55.803 -0.007 0.000 0.810 245 Q CB 3.016 31.699 28.738 -0.091 0.000 1.342 245 Q HN 0.624 nan 8.270 nan 0.000 0.427 246 E N 2.009 122.349 120.200 0.234 0.000 2.373 246 E HA 0.217 4.567 4.350 0.000 0.000 0.267 246 E C -1.133 175.517 176.600 0.083 0.000 1.032 246 E CA -0.086 56.399 56.400 0.141 0.000 0.889 246 E CB 0.636 30.395 29.700 0.098 0.000 0.984 246 E HN 0.392 nan 8.360 nan 0.000 0.425 247 L N 3.663 124.928 121.223 0.070 0.000 2.317 247 L HA 0.359 4.699 4.340 0.000 0.000 0.281 247 L C 0.088 177.035 176.870 0.128 0.000 1.024 247 L CA -0.760 54.126 54.840 0.076 0.000 0.810 247 L CB 1.667 43.747 42.059 0.035 0.000 1.240 247 L HN 0.604 nan 8.230 nan 0.000 0.427 248 E N 3.603 123.895 120.200 0.153 0.000 2.392 248 E HA 0.187 4.537 4.350 0.000 0.000 0.259 248 E C -2.197 174.548 176.600 0.241 0.000 1.108 248 E CA -1.354 55.143 56.400 0.162 0.000 0.916 248 E CB 0.566 30.350 29.700 0.141 0.000 0.989 248 E HN 0.322 nan 8.360 nan 0.000 0.432 249 P HA 0.052 nan 4.420 nan 0.000 0.274 249 P C -2.324 174.968 177.300 -0.014 0.000 1.246 249 P CA -1.339 61.815 63.100 0.089 0.000 0.795 249 P CB 0.208 31.921 31.700 0.022 0.000 1.006 250 P HA -0.153 nan 4.420 nan 0.000 0.219 250 P C 1.428 178.604 177.300 -0.205 0.000 1.146 250 P CA 1.479 64.314 63.100 -0.441 0.000 0.808 250 P CB -0.079 31.228 31.700 -0.656 0.000 0.779 251 E N -0.453 119.663 120.200 -0.140 0.000 2.153 251 E HA -0.198 4.152 4.350 0.000 0.000 0.194 251 E C 1.587 178.129 176.600 -0.098 0.000 0.988 251 E CA 0.988 57.324 56.400 -0.106 0.000 0.811 251 E CB -0.641 29.023 29.700 -0.060 0.000 0.746 251 E HN 0.263 nan 8.360 nan 0.000 0.466 252 D N 0.269 120.640 120.400 -0.049 0.000 2.178 252 D HA -0.120 4.520 4.640 0.000 0.000 0.201 252 D C 1.894 178.166 176.300 -0.046 0.000 0.980 252 D CA 0.633 54.622 54.000 -0.019 0.000 0.842 252 D CB -0.034 40.791 40.800 0.043 0.000 0.948 252 D HN 0.159 nan 8.370 nan 0.000 0.472 253 M N -0.511 119.036 119.600 -0.087 0.000 2.160 253 M HA -0.068 4.412 4.480 0.000 0.000 0.264 253 M C 2.019 178.028 176.300 -0.485 0.000 1.073 253 M CA 0.874 56.061 55.300 -0.188 0.000 1.142 253 M CB 0.071 32.566 32.600 -0.175 0.000 1.358 253 M HN -0.040 nan 8.290 nan 0.000 0.422 254 L N 0.142 121.046 121.223 -0.532 0.000 2.127 254 L HA -0.229 4.111 4.340 0.000 0.000 0.211 254 L C 2.094 178.730 176.870 -0.390 0.000 1.089 254 L CA 1.425 55.921 54.840 -0.574 0.000 0.757 254 L CB -0.740 41.133 42.059 -0.311 0.000 0.899 254 L HN 0.365 nan 8.230 nan 0.000 0.434 255 E N -0.273 119.777 120.200 -0.249 0.000 2.110 255 E HA -0.264 4.086 4.350 0.000 0.000 0.193 255 E C 2.255 178.789 176.600 -0.110 0.000 0.988 255 E CA 1.141 57.436 56.400 -0.176 0.000 0.804 255 E CB -0.101 29.541 29.700 -0.097 0.000 0.745 255 E HN 0.559 nan 8.360 nan 0.000 0.458 256 Q N -0.214 119.560 119.800 -0.044 0.000 2.050 256 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 256 Q C 2.015 178.116 176.000 0.169 0.000 0.980 256 Q CA 1.203 57.051 55.803 0.076 0.000 0.840 256 Q CB -0.168 28.657 28.738 0.144 0.000 0.898 256 Q HN 0.241 nan 8.270 nan 0.000 0.424 257 F N 1.307 121.174 119.950 -0.139 0.000 2.095 257 F HA -0.202 4.325 4.527 0.000 0.000 0.298 257 F C 2.322 178.005 175.800 -0.194 0.000 1.104 257 F CA 1.241 59.161 58.000 -0.133 0.000 1.232 257 F CB -0.747 38.184 39.000 -0.116 0.000 0.987 257 F HN 0.025 nan 8.300 nan 0.000 0.475 258 K N -0.335 119.929 120.400 -0.227 0.000 2.026 258 K HA -0.157 4.163 4.320 0.000 0.000 0.208 258 K C 2.062 178.582 176.600 -0.132 0.000 1.048 258 K CA 1.920 57.963 56.287 -0.407 0.000 0.929 258 K CB -0.302 31.786 32.500 -0.686 0.000 0.713 258 K HN 0.167 nan 8.250 nan 0.000 0.439 259 T N 0.665 115.169 114.554 -0.084 0.000 2.684 259 T HA -0.121 4.229 4.350 0.000 0.000 0.267 259 T C 1.826 176.532 174.700 0.011 0.000 1.036 259 T CA 1.568 63.653 62.100 -0.024 0.000 1.148 259 T CB -0.122 68.741 68.868 -0.009 0.000 0.863 259 T HN 0.011 nan 8.240 nan 0.000 0.436 260 V N 1.569 121.498 119.914 0.025 0.000 2.427 260 V HA -0.108 4.012 4.120 0.000 0.000 0.248 260 V C 2.543 178.659 176.094 0.037 0.000 1.051 260 V CA 1.509 63.831 62.300 0.036 0.000 1.048 260 V CB -0.622 31.220 31.823 0.030 0.000 0.666 260 V HN 0.242 nan 8.190 nan 0.000 0.456 261 R N 1.468 121.987 120.500 0.032 0.000 2.127 261 R HA -0.134 4.206 4.340 0.000 0.000 0.238 261 R C 2.015 178.341 176.300 0.043 0.000 1.134 261 R CA 1.935 58.062 56.100 0.046 0.000 0.975 261 R CB -0.823 29.525 30.300 0.081 0.000 0.865 261 R HN 0.471 nan 8.270 nan 0.000 0.447 262 A N -0.195 122.643 122.820 0.031 0.000 2.016 262 A HA 0.073 4.393 4.320 0.000 0.000 0.217 262 A C 2.124 179.730 177.584 0.035 0.000 1.162 262 A CA 0.768 52.822 52.037 0.029 0.000 0.662 262 A CB -0.298 18.712 19.000 0.017 0.000 0.812 262 A HN 0.338 nan 8.150 nan 0.000 0.450 263 L N -0.525 120.725 121.223 0.045 0.000 2.141 263 L HA -0.134 4.206 4.340 0.000 0.000 0.209 263 L C 2.277 179.190 176.870 0.071 0.000 1.094 263 L CA 1.050 55.926 54.840 0.060 0.000 0.763 263 L CB -0.459 41.646 42.059 0.077 0.000 0.908 263 L HN 0.381 nan 8.230 nan 0.000 0.437 264 I N -0.738 119.875 120.570 0.071 0.000 2.353 264 I HA -0.213 3.957 4.170 0.000 0.000 0.248 264 I C 2.611 178.756 176.117 0.046 0.000 1.119 264 I CA 0.966 62.315 61.300 0.081 0.000 1.417 264 I CB -0.294 37.755 38.000 0.082 0.000 1.078 264 I HN 0.141 nan 8.210 nan 0.000 0.421 265 R N 0.461 120.978 120.500 0.028 0.000 2.152 265 R HA -0.160 4.180 4.340 0.000 0.000 0.232 265 R C 2.163 178.455 176.300 -0.013 0.000 1.117 265 R CA 1.011 57.111 56.100 -0.001 0.000 0.981 265 R CB -0.200 30.105 30.300 0.009 0.000 0.870 265 R HN 0.465 nan 8.270 nan 0.000 0.451 266 Q N 0.384 120.188 119.800 0.007 0.000 2.436 266 Q HA -0.036 4.304 4.340 0.000 0.000 0.209 266 Q C 0.532 176.532 176.000 0.000 0.000 0.965 266 Q CA 0.683 56.489 55.803 0.006 0.000 0.910 266 Q CB 0.342 29.094 28.738 0.024 0.000 0.980 266 Q HN 0.231 nan 8.270 nan 0.000 0.491 267 S N -0.835 114.869 115.700 0.008 0.000 2.738 267 S HA 0.292 4.762 4.470 0.000 0.000 0.284 267 S C -2.123 172.436 174.600 -0.069 0.000 1.146 267 S CA -1.371 56.839 58.200 0.017 0.000 0.997 267 S CB 0.919 64.179 63.200 0.100 0.000 1.081 267 S HN -0.168 nan 8.310 nan 0.000 0.553 268 P HA 0.138 nan 4.420 nan 0.000 0.228 268 P C -0.516 176.394 177.300 -0.650 0.000 1.151 268 P CA 0.904 63.743 63.100 -0.436 0.000 0.770 268 P CB -0.234 31.082 31.700 -0.639 0.000 0.786 269 F N -1.035 118.883 119.950 -0.054 0.000 2.531 269 F HA 0.346 4.873 4.527 0.000 0.000 0.333 269 F C -1.682 174.058 175.800 -0.100 0.000 1.292 269 F CA -2.273 55.703 58.000 -0.040 0.000 1.184 269 F CB 0.992 39.991 39.000 -0.002 0.000 1.426 269 F HN -0.121 nan 8.300 nan 0.000 0.559 270 P HA -0.133 nan 4.420 nan 0.000 0.222 270 P C 0.712 177.875 177.300 -0.227 0.000 1.147 270 P CA 1.605 64.551 63.100 -0.257 0.000 0.790 270 P CB -0.063 31.381 31.700 -0.426 0.000 0.780 271 H N -1.641 117.496 119.070 0.112 0.000 2.547 271 H HA 0.169 4.725 4.556 0.000 0.000 0.266 271 H C 0.809 176.192 175.328 0.091 0.000 0.988 271 H CA -0.407 55.694 56.048 0.090 0.000 1.147 271 H CB -0.620 29.194 29.762 0.087 0.000 1.365 271 H HN 0.080 nan 8.280 nan 0.000 0.589 272 L N 2.839 124.168 121.223 0.176 0.000 2.455 272 L HA 0.116 4.456 4.340 0.000 0.000 0.272 272 L C -1.878 175.047 176.870 0.091 0.000 1.174 272 L CA -2.000 52.927 54.840 0.146 0.000 0.869 272 L CB 0.318 42.457 42.059 0.134 0.000 1.130 272 L HN 0.015 nan 8.230 nan 0.000 0.474 273 P HA 0.081 nan 4.420 nan 0.000 0.269 273 P C -0.897 176.332 177.300 -0.118 0.000 1.215 273 P CA -0.193 62.856 63.100 -0.085 0.000 0.780 273 P CB 0.643 32.258 31.700 -0.141 0.000 0.898 274 L N 3.338 124.398 121.223 -0.273 0.000 2.376 274 L HA 0.363 4.703 4.340 0.000 0.000 0.275 274 L C -0.978 175.676 176.870 -0.361 0.000 0.987 274 L CA -0.592 54.136 54.840 -0.186 0.000 0.828 274 L CB 0.916 42.916 42.059 -0.097 0.000 1.249 274 L HN 0.471 nan 8.230 nan 0.000 0.409 275 H N 6.348 125.435 119.070 0.028 0.000 2.587 275 H HA 0.344 4.900 4.556 0.000 0.000 0.325 275 H C -0.189 175.112 175.328 -0.046 0.000 1.012 275 H CA -0.697 55.339 56.048 -0.021 0.000 1.213 275 H CB 2.194 31.962 29.762 0.011 0.000 1.431 275 H HN 0.401 nan 8.280 nan 0.000 0.492 276 I N 4.265 124.834 120.570 -0.001 0.000 2.311 276 I HA -0.042 4.128 4.170 0.000 0.000 0.297 276 I C 1.658 177.798 176.117 0.038 0.000 1.131 276 I CA 0.082 61.351 61.300 -0.051 0.000 1.289 276 I CB -0.257 37.559 38.000 -0.306 0.000 1.446 276 I HN 0.550 nan 8.210 nan 0.000 0.524 277 T N 1.829 116.391 114.554 0.014 0.000 3.148 277 T HA 0.163 4.513 4.350 0.000 0.000 0.253 277 T C 0.535 175.071 174.700 -0.274 0.000 1.134 277 T CA 0.273 62.269 62.100 -0.173 0.000 1.051 277 T CB 0.072 68.766 68.868 -0.291 0.000 0.959 277 T HN 0.584 nan 8.240 nan 0.000 0.525 278 E N 0.213 120.242 120.200 -0.285 0.000 2.321 278 E HA 0.526 4.876 4.350 0.000 0.000 0.281 278 E C -1.745 174.691 176.600 -0.274 0.000 0.910 278 E CA -1.170 54.945 56.400 -0.475 0.000 0.770 278 E CB 2.137 31.162 29.700 -1.126 0.000 1.225 278 E HN 0.564 nan 8.360 nan 0.000 0.417 279 Y N 0.865 120.926 120.300 -0.398 0.000 2.581 279 Y HA 0.722 5.272 4.550 0.000 0.000 0.337 279 Y C -1.299 174.354 175.900 -0.412 0.000 1.108 279 Y CA -0.651 57.163 58.100 -0.476 0.000 1.033 279 Y CB 1.954 40.423 38.460 0.014 0.000 1.318 279 Y HN 0.633 nan 8.280 nan 0.000 0.459 280 N N -0.900 117.556 118.700 -0.406 0.000 3.356 280 N HA 0.212 4.952 4.740 0.000 0.000 0.246 280 N C 0.130 175.762 175.510 0.202 0.000 1.480 280 N CA -0.114 52.851 53.050 -0.142 0.000 0.877 280 N CB 1.462 39.865 38.487 -0.140 0.000 1.431 280 N HN 0.892 nan 8.380 nan 0.000 0.500 281 T N -1.595 113.075 114.554 0.194 0.000 2.668 281 T HA -0.014 4.337 4.350 0.000 0.000 0.262 281 T C 1.016 175.837 174.700 0.201 0.000 1.045 281 T CA 1.056 63.151 62.100 -0.007 0.000 1.152 281 T CB -0.374 68.301 68.868 -0.320 0.000 0.864 281 T HN 0.298 nan 8.240 nan 0.000 0.419 282 S N 0.648 116.531 115.700 0.306 0.000 2.537 282 S HA 0.462 4.932 4.470 0.000 0.000 0.301 282 S C 0.287 175.106 174.600 0.364 0.000 1.092 282 S CA -1.005 57.282 58.200 0.144 0.000 1.048 282 S CB 1.049 64.134 63.200 -0.191 0.000 1.053 282 S HN 0.525 nan 8.310 nan 0.000 0.501 283 Y N 2.216 122.539 120.300 0.039 0.000 2.471 283 Y HA 0.455 5.005 4.550 0.000 0.000 0.286 283 Y C 0.771 176.811 175.900 0.233 0.000 1.188 283 Y CA -0.587 57.304 58.100 -0.349 0.000 1.286 283 Y CB -0.679 37.209 38.460 -0.954 0.000 1.072 283 Y HN 0.436 nan 8.280 nan 0.000 0.517 284 S N 3.342 119.117 115.700 0.125 0.000 2.480 284 S HA 0.323 4.793 4.470 0.000 0.000 0.286 284 S C -1.756 172.539 174.600 -0.508 0.000 1.180 284 S CA -1.778 56.390 58.200 -0.054 0.000 1.075 284 S CB 1.123 64.204 63.200 -0.198 0.000 0.996 284 S HN 0.159 nan 8.310 nan 0.000 0.487 285 P HA 0.125 nan 4.420 nan 0.000 0.249 285 P C 0.438 177.443 177.300 -0.491 0.000 1.241 285 P CA 0.362 62.777 63.100 -1.141 0.000 0.781 285 P CB -0.526 30.847 31.700 -0.546 0.000 1.088 286 I N -4.314 116.045 120.570 -0.351 0.000 3.241 286 I HA 0.448 4.618 4.170 0.000 0.000 0.333 286 I C -0.366 175.646 176.117 -0.174 0.000 1.534 286 I CA -0.745 60.446 61.300 -0.182 0.000 0.979 286 I CB -0.164 37.731 38.000 -0.174 0.000 1.497 286 I HN -0.290 nan 8.210 nan 0.000 0.530 287 N N 2.909 121.450 118.700 -0.264 0.000 2.469 287 N HA 0.402 5.142 4.740 0.000 0.000 0.253 287 N C -1.950 173.296 175.510 -0.439 0.000 0.970 287 N CA -2.256 50.572 53.050 -0.371 0.000 0.940 287 N CB 2.008 40.249 38.487 -0.409 0.000 1.128 287 N HN -0.058 nan 8.380 nan 0.000 0.503 288 P HA -0.159 nan 4.420 nan 0.000 0.220 288 P C 1.477 178.476 177.300 -0.502 0.000 1.144 288 P CA 0.834 63.666 63.100 -0.446 0.000 0.800 288 P CB 0.172 31.634 31.700 -0.397 0.000 0.772 289 V N -2.703 116.938 119.914 -0.455 0.000 2.439 289 V HA -0.311 3.809 4.120 0.000 0.000 0.253 289 V C 2.056 177.896 176.094 -0.423 0.000 1.074 289 V CA 2.032 64.068 62.300 -0.440 0.000 1.076 289 V CB -1.959 29.623 31.823 -0.403 0.000 0.664 289 V HN 0.234 nan 8.190 nan 0.000 0.461 290 H N 0.559 119.456 119.070 -0.289 0.000 2.518 290 H HA -0.028 4.528 4.556 0.000 0.000 0.289 290 H C 1.631 176.806 175.328 -0.255 0.000 1.051 290 H CA 1.607 57.528 56.048 -0.212 0.000 1.280 290 H CB -0.217 29.429 29.762 -0.193 0.000 1.380 290 H HN 0.550 nan 8.280 nan 0.000 0.566 291 D N 0.695 120.891 120.400 -0.341 0.000 2.340 291 D HA -0.012 4.628 4.640 0.000 0.000 0.220 291 D C 1.039 176.987 176.300 -0.588 0.000 1.039 291 D CA 0.323 54.040 54.000 -0.471 0.000 0.866 291 D CB 0.354 40.733 40.800 -0.703 0.000 0.913 291 D HN 0.411 nan 8.370 nan 0.000 0.523 292 T N -3.560 110.687 114.554 -0.512 0.000 2.950 292 T HA 0.617 4.967 4.350 0.000 0.000 0.288 292 T C 1.423 176.050 174.700 -0.121 0.000 1.035 292 T CA -0.418 61.428 62.100 -0.423 0.000 1.028 292 T CB 2.216 70.784 68.868 -0.501 0.000 1.109 292 T HN -0.153 nan 8.240 nan 0.000 0.514 293 A N 0.813 123.629 122.820 -0.008 0.000 1.940 293 A HA -0.008 4.312 4.320 0.000 0.000 0.219 293 A C 2.177 179.805 177.584 0.073 0.000 1.176 293 A CA 1.720 53.800 52.037 0.072 0.000 0.631 293 A CB -1.159 17.908 19.000 0.112 0.000 0.814 293 A HN 0.947 nan 8.150 nan 0.000 0.446 294 L N -0.108 121.139 121.223 0.039 0.000 2.042 294 L HA -0.233 4.107 4.340 0.000 0.000 0.210 294 L C 2.322 179.251 176.870 0.098 0.000 1.076 294 L CA 2.112 56.996 54.840 0.073 0.000 0.749 294 L CB -0.427 41.655 42.059 0.039 0.000 0.893 294 L HN 0.545 nan 8.230 nan 0.000 0.432 295 N N -0.319 118.400 118.700 0.031 0.000 2.120 295 N HA -0.201 4.539 4.740 0.000 0.000 0.188 295 N C 1.780 177.370 175.510 0.133 0.000 1.024 295 N CA 1.361 54.450 53.050 0.064 0.000 0.852 295 N CB 0.023 38.535 38.487 0.042 0.000 1.003 295 N HN 0.530 nan 8.380 nan 0.000 0.424 296 A N 0.873 123.753 122.820 0.100 0.000 1.898 296 A HA 0.044 4.364 4.320 0.000 0.000 0.216 296 A C 2.345 179.985 177.584 0.093 0.000 1.181 296 A CA 1.663 53.753 52.037 0.089 0.000 0.620 296 A CB -0.744 18.311 19.000 0.092 0.000 0.819 296 A HN 0.416 nan 8.150 nan 0.000 0.442 297 A N -1.700 121.205 122.820 0.142 0.000 1.930 297 A HA -0.089 4.231 4.320 0.000 0.000 0.217 297 A C 2.122 179.747 177.584 0.069 0.000 1.175 297 A CA 1.522 53.652 52.037 0.156 0.000 0.627 297 A CB -0.779 18.355 19.000 0.224 0.000 0.815 297 A HN 0.678 nan 8.150 nan 0.000 0.443 298 Y N 0.412 120.719 120.300 0.011 0.000 2.114 298 Y HA -0.211 4.339 4.550 0.000 0.000 0.284 298 Y C 2.156 178.014 175.900 -0.069 0.000 1.143 298 Y CA 1.837 59.937 58.100 -0.001 0.000 1.135 298 Y CB -0.018 38.474 38.460 0.054 0.000 0.980 298 Y HN 0.230 nan 8.280 nan 0.000 0.499 299 I N 0.293 121.012 120.570 0.249 0.000 2.315 299 I HA -0.282 3.888 4.170 0.000 0.000 0.248 299 I C 2.691 178.669 176.117 -0.231 0.000 1.117 299 I CA 1.388 62.775 61.300 0.145 0.000 1.404 299 I CB -1.957 36.160 38.000 0.195 0.000 1.071 299 I HN 0.362 nan 8.210 nan 0.000 0.419 300 A N 0.836 123.422 122.820 -0.390 0.000 1.927 300 A HA -0.282 4.038 4.320 0.000 0.000 0.220 300 A C 2.533 179.448 177.584 -1.115 0.000 1.185 300 A CA 1.968 53.580 52.037 -0.708 0.000 0.639 300 A CB -0.792 17.898 19.000 -0.517 0.000 0.820 300 A HN 0.333 nan 8.150 nan 0.000 0.451 301 R N -0.779 119.071 120.500 -1.083 0.000 2.120 301 R HA -0.065 4.275 4.340 0.000 0.000 0.234 301 R C 1.926 178.002 176.300 -0.374 0.000 1.123 301 R CA 1.534 57.214 56.100 -0.701 0.000 0.975 301 R CB -0.347 29.784 30.300 -0.282 0.000 0.866 301 R HN 0.631 nan 8.270 nan 0.000 0.446 302 I N 0.555 120.934 120.570 -0.319 0.000 2.286 302 I HA -0.263 3.907 4.170 0.000 0.000 0.245 302 I C 2.052 178.094 176.117 -0.126 0.000 1.104 302 I CA 0.950 62.120 61.300 -0.217 0.000 1.397 302 I CB -0.118 37.828 38.000 -0.090 0.000 1.072 302 I HN 0.135 nan 8.210 nan 0.000 0.417 303 L N -0.467 120.609 121.223 -0.246 0.000 2.131 303 L HA -0.202 4.138 4.340 0.000 0.000 0.210 303 L C 2.635 179.428 176.870 -0.129 0.000 1.092 303 L CA 0.975 55.623 54.840 -0.321 0.000 0.759 303 L CB -0.591 40.563 42.059 -1.508 0.000 0.903 303 L HN 0.199 nan 8.230 nan 0.000 0.435 304 S N -0.580 115.035 115.700 -0.142 0.000 2.368 304 S HA -0.130 4.340 4.470 0.000 0.000 0.224 304 S C 1.738 176.492 174.600 0.256 0.000 1.029 304 S CA 1.354 59.675 58.200 0.202 0.000 0.988 304 S CB 0.090 63.380 63.200 0.151 0.000 0.838 304 S HN 0.505 nan 8.310 nan 0.000 0.462 305 E N -0.800 119.451 120.200 0.086 0.000 2.453 305 E HA 0.178 4.528 4.350 0.000 0.000 0.211 305 E C 2.130 178.672 176.600 -0.098 0.000 0.897 305 E CA 0.398 56.812 56.400 0.022 0.000 1.063 305 E CB -0.316 29.400 29.700 0.027 0.000 1.080 305 E HN 0.470 nan 8.360 nan 0.000 0.512 306 G N 2.051 110.734 108.800 -0.195 0.000 2.556 306 G HA2 -0.344 3.616 3.960 0.000 0.000 0.220 306 G HA3 -0.344 3.616 3.960 0.000 0.000 0.220 306 G C 1.590 176.285 174.900 -0.342 0.000 1.156 306 G CA 1.206 46.016 45.100 -0.485 0.000 0.766 306 G HN 0.381 nan 8.290 nan 0.000 0.583 307 G N 0.682 109.441 108.800 -0.068 0.000 2.499 307 G HA2 -0.204 3.756 3.960 0.000 0.000 0.221 307 G HA3 -0.204 3.756 3.960 0.000 0.000 0.221 307 G C 1.356 176.174 174.900 -0.137 0.000 1.109 307 G CA 1.325 46.470 45.100 0.075 0.000 0.749 307 G HN 0.400 nan 8.290 nan 0.000 0.568 308 D N -0.664 119.511 120.400 -0.375 0.000 2.263 308 D HA -0.051 4.589 4.640 0.000 0.000 0.208 308 D C 1.466 177.385 176.300 -0.634 0.000 0.971 308 D CA 0.900 54.526 54.000 -0.623 0.000 0.867 308 D CB -0.107 40.067 40.800 -1.043 0.000 0.929 308 D HN 0.643 nan 8.370 nan 0.000 0.492 309 Y N -0.865 119.444 120.300 0.013 0.000 2.512 309 Y HA 0.162 4.712 4.550 0.000 0.000 0.268 309 Y C 0.802 176.673 175.900 -0.048 0.000 1.102 309 Y CA -0.517 57.588 58.100 0.008 0.000 1.261 309 Y CB 0.918 39.421 38.460 0.072 0.000 1.250 309 Y HN -0.223 nan 8.280 nan 0.000 0.506 310 V N -2.914 117.011 119.914 0.018 0.000 2.914 310 V HA 0.423 4.543 4.120 0.000 0.000 0.314 310 V C -0.520 175.529 176.094 -0.075 0.000 1.084 310 V CA -0.947 61.303 62.300 -0.084 0.000 0.963 310 V CB 1.996 33.672 31.823 -0.246 0.000 1.025 310 V HN 0.034 nan 8.190 nan 0.000 0.432 311 D N 1.748 122.040 120.400 -0.180 0.000 2.219 311 D HA 0.108 4.748 4.640 0.000 0.000 0.205 311 D C 0.878 177.058 176.300 -0.200 0.000 0.970 311 D CA 1.867 55.713 54.000 -0.256 0.000 0.851 311 D CB 0.114 40.638 40.800 -0.460 0.000 0.943 311 D HN 1.011 nan 8.370 nan 0.000 0.488 312 S N -0.540 115.164 115.700 0.006 0.000 2.567 312 S HA 0.589 5.059 4.470 0.000 0.000 0.270 312 S C -1.759 173.040 174.600 0.332 0.000 1.152 312 S CA -1.245 57.063 58.200 0.182 0.000 0.835 312 S CB 0.832 64.149 63.200 0.195 0.000 1.115 312 S HN 0.125 nan 8.310 nan 0.000 0.459 313 F N -0.764 119.241 119.950 0.091 0.000 2.607 313 F HA 0.811 5.338 4.527 0.000 0.000 0.322 313 F C -0.471 175.543 175.800 0.356 0.000 1.176 313 F CA -1.067 56.970 58.000 0.061 0.000 0.977 313 F CB 1.454 40.330 39.000 -0.206 0.000 1.242 313 F HN 0.617 nan 8.300 nan 0.000 0.465 314 S N 3.849 119.778 115.700 0.382 0.000 2.461 314 S HA 0.350 4.820 4.470 0.000 0.000 0.322 314 S C -1.064 173.658 174.600 0.204 0.000 1.063 314 S CA -0.399 57.923 58.200 0.203 0.000 1.120 314 S CB -0.013 63.181 63.200 -0.010 0.000 0.968 314 S HN 0.655 nan 8.310 nan 0.000 0.467 315 Y N 5.572 125.866 120.300 -0.010 0.000 2.632 315 Y HA 0.162 4.712 4.550 0.000 0.000 0.329 315 Y C -0.109 175.606 175.900 -0.308 0.000 1.174 315 Y CA 0.070 57.928 58.100 -0.404 0.000 1.469 315 Y CB 0.378 38.680 38.460 -0.263 0.000 1.242 315 Y HN 0.739 nan 8.280 nan 0.000 0.540 316 W N 9.858 130.479 121.300 -1.133 0.000 2.295 316 W HA 0.368 5.028 4.660 0.000 0.000 0.333 316 W C -1.153 174.709 176.519 -1.095 0.000 0.990 316 W CA -0.224 56.557 57.345 -0.940 0.000 1.453 316 W CB 0.831 29.749 29.460 -0.904 0.000 1.263 316 W HN 0.776 nan 8.180 nan 0.000 0.380 317 T N 1.119 115.195 114.554 -0.796 0.000 2.754 317 T HA 0.324 4.674 4.350 0.000 0.000 0.296 317 T C 0.425 174.969 174.700 -0.260 0.000 1.205 317 T CA -0.663 61.047 62.100 -0.650 0.000 1.009 317 T CB 1.132 69.415 68.868 -0.975 0.000 1.368 317 T HN 0.300 nan 8.240 nan 0.000 0.509 318 F N -0.005 119.717 119.950 -0.380 0.000 2.558 318 F HA 0.495 5.022 4.527 0.000 0.000 0.298 318 F C 0.610 176.281 175.800 -0.216 0.000 1.119 318 F CA 0.235 58.051 58.000 -0.306 0.000 1.451 318 F CB -0.080 38.696 39.000 -0.374 0.000 1.091 318 F HN 0.673 nan 8.300 nan 0.000 0.563 319 S N -0.419 114.639 115.700 -1.070 0.000 2.536 319 S HA 0.264 4.734 4.470 0.000 0.000 0.271 319 S C -0.287 174.000 174.600 -0.521 0.000 1.134 319 S CA -0.738 56.892 58.200 -0.951 0.000 0.897 319 S CB 1.221 63.439 63.200 -1.637 0.000 1.094 319 S HN 0.107 nan 8.310 nan 0.000 0.473 320 D N 1.750 121.977 120.400 -0.289 0.000 2.363 320 D HA 0.089 4.729 4.640 0.000 0.000 0.226 320 D C 0.365 176.662 176.300 -0.004 0.000 1.020 320 D CA 0.503 54.427 54.000 -0.127 0.000 0.892 320 D CB 0.007 40.768 40.800 -0.064 0.000 0.900 320 D HN 0.347 nan 8.370 nan 0.000 0.531 321 V N 1.846 121.726 119.914 -0.057 0.000 2.403 321 V HA 0.125 4.245 4.120 0.000 0.000 0.265 321 V C -0.249 175.932 176.094 0.144 0.000 1.034 321 V CA 0.278 62.583 62.300 0.008 0.000 1.036 321 V CB -0.652 31.161 31.823 -0.016 0.000 1.032 321 V HN -0.031 nan 8.190 nan 0.000 0.478 322 F N 3.300 123.202 119.950 -0.080 0.000 2.704 322 F HA 0.358 4.885 4.527 0.000 0.000 0.312 322 F C 0.279 176.073 175.800 -0.010 0.000 1.108 322 F CA -0.538 57.434 58.000 -0.048 0.000 1.005 322 F CB 1.943 40.909 39.000 -0.057 0.000 1.277 322 F HN 0.448 nan 8.300 nan 0.000 0.445 323 E N 2.393 122.475 120.200 -0.196 0.000 2.789 323 E HA 0.076 4.426 4.350 0.000 0.000 0.217 323 E C 0.639 177.359 176.600 0.200 0.000 0.970 323 E CA 0.015 56.453 56.400 0.063 0.000 1.201 323 E CB 0.707 30.538 29.700 0.218 0.000 1.069 323 E HN 0.712 nan 8.360 nan 0.000 0.499 324 E N 0.737 120.903 120.200 -0.057 0.000 2.085 324 E HA -0.092 4.258 4.350 0.000 0.000 0.194 324 E C 0.960 177.632 176.600 0.121 0.000 0.994 324 E CA 0.923 57.269 56.400 -0.090 0.000 0.801 324 E CB 0.181 29.733 29.700 -0.246 0.000 0.743 324 E HN 0.150 nan 8.360 nan 0.000 0.453 325 M N 1.536 121.200 119.600 0.107 0.000 2.989 325 M HA 0.162 4.642 4.480 0.000 0.000 0.307 325 M C -0.594 175.629 176.300 -0.129 0.000 1.224 325 M CA 0.070 55.384 55.300 0.023 0.000 0.984 325 M CB -0.360 32.222 32.600 -0.030 0.000 1.264 325 M HN -0.048 nan 8.290 nan 0.000 0.525 326 D N -0.235 119.983 120.400 -0.302 0.000 10.639 326 D HA -0.149 4.491 4.640 0.000 0.000 0.356 326 D C -0.813 175.220 176.300 -0.444 0.000 3.104 326 D CA 0.222 53.705 54.000 -0.863 0.000 2.568 326 D CB 0.547 40.950 40.800 -0.660 0.000 1.215 326 D HN 0.085 nan 8.370 nan 0.000 0.959 327 V N 2.367 122.026 119.914 -0.426 0.000 2.617 327 V HA 0.135 4.255 4.120 0.000 0.000 0.304 327 V C -1.418 174.548 176.094 -0.213 0.000 1.040 327 V CA -0.356 61.816 62.300 -0.215 0.000 1.149 327 V CB 0.161 31.902 31.823 -0.137 0.000 0.914 327 V HN 0.430 nan 8.190 nan 0.000 0.487 328 P HA 0.001 nan 4.420 nan 0.000 0.261 328 P C 0.461 177.639 177.300 -0.203 0.000 1.165 328 P CA 0.440 63.244 63.100 -0.494 0.000 0.759 328 P CB 0.312 31.535 31.700 -0.795 0.000 0.772 329 K N 1.462 121.776 120.400 -0.144 0.000 2.361 329 K HA 0.368 4.688 4.320 0.000 0.000 0.194 329 K C 0.549 177.158 176.600 0.014 0.000 1.032 329 K CA 0.211 56.518 56.287 0.034 0.000 1.048 329 K CB 0.522 33.031 32.500 0.014 0.000 0.842 329 K HN 0.520 nan 8.250 nan 0.000 0.526 330 A N 0.232 123.046 122.820 -0.010 0.000 2.599 330 A HA 0.228 4.549 4.320 0.000 0.000 0.290 330 A C 0.212 177.811 177.584 0.025 0.000 1.101 330 A CA -0.712 51.316 52.037 -0.016 0.000 0.674 330 A CB 0.438 19.541 19.000 0.172 0.000 1.277 330 A HN 0.014 nan 8.150 nan 0.000 0.419 331 L N -0.431 120.749 121.223 -0.071 0.000 1.989 331 L HA 0.057 4.397 4.340 0.000 0.000 0.211 331 L C -0.082 176.416 176.870 -0.620 0.000 1.071 331 L CA 1.902 56.559 54.840 -0.306 0.000 0.749 331 L CB -0.329 41.501 42.059 -0.382 0.000 0.890 331 L HN 0.650 nan 8.230 nan 0.000 0.431 332 F N 0.277 119.777 119.950 -0.749 0.000 2.388 332 F HA 0.239 4.766 4.527 0.000 0.000 0.358 332 F C 1.006 176.596 175.800 -0.350 0.000 1.122 332 F CA -0.596 56.994 58.000 -0.684 0.000 1.056 332 F CB 0.841 39.331 39.000 -0.849 0.000 1.155 332 F HN 0.165 nan 8.300 nan 0.000 0.461 333 H N 1.098 120.160 119.070 -0.014 0.000 3.182 333 H HA 0.318 4.874 4.556 0.000 0.000 0.254 333 H C 1.109 176.470 175.328 0.055 0.000 1.197 333 H CA 0.130 56.226 56.048 0.081 0.000 1.061 333 H CB 0.608 30.352 29.762 -0.030 0.000 1.722 333 H HN 0.798 nan 8.280 nan 0.000 0.662 334 G N 1.027 109.661 108.800 -0.277 0.000 2.141 334 G HA2 -0.252 3.708 3.960 0.000 0.000 0.242 334 G HA3 -0.252 3.708 3.960 0.000 0.000 0.242 334 G C 0.718 175.447 174.900 -0.285 0.000 0.982 334 G CA 0.093 45.044 45.100 -0.250 0.000 0.662 334 G HN 0.847 nan 8.290 nan 0.000 0.527 335 G N -0.989 107.482 108.800 -0.548 0.000 2.614 335 G HA2 0.415 4.375 3.960 0.000 0.000 0.239 335 G HA3 0.415 4.375 3.960 0.000 0.000 0.239 335 G C 0.806 175.398 174.900 -0.513 0.000 1.240 335 G CA -0.104 44.704 45.100 -0.486 0.000 0.842 335 G HN 0.259 nan 8.290 nan 0.000 0.584 336 F N 1.107 120.685 119.950 -0.619 0.000 2.451 336 F HA 0.058 4.585 4.527 0.000 0.000 0.299 336 F C 2.313 177.782 175.800 -0.553 0.000 1.101 336 F CA 0.245 57.730 58.000 -0.858 0.000 1.436 336 F CB 0.048 38.459 39.000 -0.981 0.000 1.074 336 F HN 0.500 nan 8.300 nan 0.000 0.553 337 G N 0.266 108.901 108.800 -0.276 0.000 2.491 337 G HA2 0.214 4.174 3.960 0.000 0.000 0.242 337 G HA3 0.214 4.174 3.960 0.000 0.000 0.242 337 G C 0.827 175.670 174.900 -0.095 0.000 1.266 337 G CA -0.552 44.405 45.100 -0.238 0.000 0.844 337 G HN 0.208 nan 8.290 nan 0.000 0.571 338 L N 1.052 122.241 121.223 -0.057 0.000 2.141 338 L HA 0.002 4.342 4.340 0.000 0.000 0.209 338 L C 0.549 177.379 176.870 -0.066 0.000 1.094 338 L CA 0.629 55.447 54.840 -0.036 0.000 0.763 338 L CB -0.389 41.654 42.059 -0.027 0.000 0.908 338 L HN 0.179 nan 8.230 nan 0.000 0.437 339 V N -0.113 119.677 119.914 -0.207 0.000 2.487 339 V HA 0.570 4.691 4.120 0.000 0.000 0.298 339 V C 0.341 176.159 176.094 -0.461 0.000 1.028 339 V CA -0.930 61.128 62.300 -0.403 0.000 0.860 339 V CB 1.377 32.859 31.823 -0.568 0.000 0.991 339 V HN 0.142 nan 8.190 nan 0.000 0.427 340 A N 4.890 127.468 122.820 -0.404 0.000 2.296 340 A HA 0.699 5.019 4.320 0.000 0.000 0.264 340 A C 0.136 177.496 177.584 -0.373 0.000 1.097 340 A CA -0.505 51.300 52.037 -0.386 0.000 0.811 340 A CB 0.205 18.903 19.000 -0.504 0.000 1.072 340 A HN 0.837 nan 8.150 nan 0.000 0.495 341 L N 0.061 121.163 121.223 -0.202 0.000 2.529 341 L HA 0.034 4.374 4.340 0.000 0.000 0.287 341 L C 0.867 177.683 176.870 -0.091 0.000 1.241 341 L CA 1.025 55.804 54.840 -0.101 0.000 0.857 341 L CB -0.263 41.685 42.059 -0.186 0.000 1.113 341 L HN 1.073 nan 8.230 nan 0.000 0.504 342 H N 0.018 119.130 119.070 0.070 0.000 3.428 342 H HA -0.197 4.359 4.556 0.000 0.000 0.204 342 H C 1.012 176.332 175.328 -0.014 0.000 1.078 342 H CA 0.767 56.830 56.048 0.025 0.000 1.183 342 H CB -1.291 28.455 29.762 -0.027 0.000 1.132 342 H HN 0.860 nan 8.280 nan 0.000 0.323 343 S N -1.486 114.198 115.700 -0.027 0.000 3.698 343 S HA -0.238 4.232 4.470 0.000 0.000 0.338 343 S C 0.042 174.492 174.600 -0.249 0.000 1.089 343 S CA 0.829 58.879 58.200 -0.251 0.000 0.991 343 S CB -2.356 60.852 63.200 0.013 0.000 0.909 343 S HN 0.529 nan 8.310 nan 0.000 0.485 344 I N 2.685 123.114 120.570 -0.234 0.000 2.337 344 I HA 0.360 4.530 4.170 0.000 0.000 0.291 344 I C -1.769 174.186 176.117 -0.270 0.000 1.046 344 I CA -2.379 58.818 61.300 -0.173 0.000 1.324 344 I CB 0.816 38.774 38.000 -0.070 0.000 1.409 344 I HN 0.139 nan 8.210 nan 0.000 0.494 345 P HA 0.152 nan 4.420 nan 0.000 0.275 345 P C -0.914 176.242 177.300 -0.240 0.000 1.227 345 P CA -0.339 62.422 63.100 -0.565 0.000 0.781 345 P CB 0.689 31.826 31.700 -0.938 0.000 0.906 346 K N 3.892 124.198 120.400 -0.157 0.000 2.090 346 K HA 0.243 4.563 4.320 0.000 0.000 0.250 346 K C -1.639 174.920 176.600 -0.068 0.000 1.004 346 K CA -1.790 54.483 56.287 -0.023 0.000 0.919 346 K CB -0.203 32.301 32.500 0.008 0.000 1.045 346 K HN 0.165 nan 8.250 nan 0.000 0.471 347 P HA -0.223 nan 4.420 nan 0.000 0.218 347 P C 0.758 178.094 177.300 0.060 0.000 1.154 347 P CA 1.614 64.790 63.100 0.127 0.000 0.872 347 P CB 0.110 31.878 31.700 0.114 0.000 0.790 348 T N -1.453 113.121 114.554 0.032 0.000 2.833 348 T HA -0.176 4.174 4.350 0.000 0.000 0.269 348 T C 1.423 176.161 174.700 0.064 0.000 1.054 348 T CA 0.910 63.029 62.100 0.033 0.000 1.135 348 T CB -1.037 67.840 68.868 0.015 0.000 0.869 348 T HN 0.090 nan 8.240 nan 0.000 0.466 349 F N 1.793 121.641 119.950 -0.170 0.000 2.091 349 F HA -0.225 4.302 4.527 0.000 0.000 0.299 349 F C 2.239 177.955 175.800 -0.140 0.000 1.103 349 F CA 1.641 59.526 58.000 -0.191 0.000 1.228 349 F CB -0.420 38.369 39.000 -0.352 0.000 0.984 349 F HN 0.337 nan 8.300 nan 0.000 0.477 350 H N -0.684 118.408 119.070 0.037 0.000 2.387 350 H HA -0.047 4.509 4.556 0.000 0.000 0.299 350 H C 2.379 177.241 175.328 -0.776 0.000 1.090 350 H CA 0.732 56.546 56.048 -0.390 0.000 1.332 350 H CB -0.351 29.173 29.762 -0.397 0.000 1.386 350 H HN 0.388 nan 8.280 nan 0.000 0.516 351 A N 0.858 123.509 122.820 -0.282 0.000 1.908 351 A HA -0.189 4.131 4.320 0.000 0.000 0.218 351 A C 1.924 179.465 177.584 -0.071 0.000 1.181 351 A CA 1.437 53.385 52.037 -0.148 0.000 0.627 351 A CB -0.900 18.041 19.000 -0.098 0.000 0.818 351 A HN 0.313 nan 8.150 nan 0.000 0.445 352 F N 0.799 120.661 119.950 -0.147 0.000 2.102 352 F HA -0.186 4.342 4.527 0.000 0.000 0.298 352 F C 3.056 178.844 175.800 -0.021 0.000 1.105 352 F CA 2.069 60.029 58.000 -0.068 0.000 1.239 352 F CB -0.709 38.209 39.000 -0.136 0.000 0.991 352 F HN 0.392 nan 8.300 nan 0.000 0.474 353 T N -1.842 112.704 114.554 -0.014 0.000 2.867 353 T HA -0.210 4.140 4.350 0.000 0.000 0.268 353 T C 1.989 176.853 174.700 0.273 0.000 1.057 353 T CA 1.195 63.330 62.100 0.058 0.000 1.136 353 T CB -1.186 67.690 68.868 0.013 0.000 0.874 353 T HN 0.321 nan 8.240 nan 0.000 0.466 354 F N 0.196 120.197 119.950 0.085 0.000 2.134 354 F HA 0.059 4.586 4.527 0.000 0.000 0.299 354 F C 2.153 177.868 175.800 -0.141 0.000 1.097 354 F CA 0.568 58.560 58.000 -0.013 0.000 1.264 354 F CB -0.461 38.526 39.000 -0.021 0.000 1.001 354 F HN 0.110 nan 8.300 nan 0.000 0.479 355 F N 0.475 120.357 119.950 -0.113 0.000 2.293 355 F HA -0.169 4.358 4.527 0.000 0.000 0.300 355 F C 2.008 177.686 175.800 -0.204 0.000 1.086 355 F CA 1.063 58.788 58.000 -0.457 0.000 1.375 355 F CB -0.840 37.437 39.000 -1.206 0.000 1.045 355 F HN -0.079 nan 8.300 nan 0.000 0.516 356 N N 0.185 119.047 118.700 0.269 0.000 2.512 356 N HA -0.042 4.698 4.740 0.000 0.000 0.183 356 N C 1.565 177.227 175.510 0.253 0.000 1.073 356 N CA 0.843 54.165 53.050 0.454 0.000 0.911 356 N CB -0.102 38.628 38.487 0.404 0.000 0.964 356 N HN 0.150 nan 8.380 nan 0.000 0.447 357 A N -0.310 122.605 122.820 0.158 0.000 2.218 357 A HA 0.215 4.535 4.320 0.000 0.000 0.209 357 A C 0.621 178.237 177.584 0.054 0.000 1.168 357 A CA -0.156 51.937 52.037 0.092 0.000 0.804 357 A CB -0.145 18.886 19.000 0.051 0.000 0.834 357 A HN 0.210 nan 8.150 nan 0.000 0.482 358 L N -0.109 121.145 121.223 0.051 0.000 2.452 358 L HA 0.404 4.744 4.340 0.000 0.000 0.267 358 L C 1.202 178.151 176.870 0.132 0.000 1.188 358 L CA -0.370 54.482 54.840 0.020 0.000 0.821 358 L CB 0.673 42.682 42.059 -0.083 0.000 1.102 358 L HN 0.312 nan 8.230 nan 0.000 0.470 359 G N 0.067 108.928 108.800 0.100 0.000 2.535 359 G HA2 0.152 4.112 3.960 0.000 0.000 0.303 359 G HA3 0.152 4.112 3.960 0.000 0.000 0.303 359 G C 0.135 175.153 174.900 0.198 0.000 1.237 359 G CA -0.384 44.795 45.100 0.131 0.000 0.986 359 G HN 0.693 nan 8.290 nan 0.000 0.494 360 D N -0.897 119.607 120.400 0.174 0.000 2.213 360 D HA -0.037 4.603 4.640 0.000 0.000 0.205 360 D C 0.890 177.298 176.300 0.181 0.000 0.961 360 D CA 0.668 54.784 54.000 0.194 0.000 0.853 360 D CB 0.279 41.159 40.800 0.134 0.000 0.967 360 D HN 0.537 nan 8.370 nan 0.000 0.496 361 E N 1.030 121.308 120.200 0.130 0.000 2.180 361 E HA 0.154 4.505 4.350 0.000 0.000 0.283 361 E C -0.770 175.890 176.600 0.100 0.000 1.061 361 E CA -0.475 55.987 56.400 0.104 0.000 0.861 361 E CB 0.521 30.266 29.700 0.074 0.000 1.056 361 E HN -0.086 nan 8.360 nan 0.000 0.407 362 L N 6.049 127.337 121.223 0.108 0.000 2.265 362 L HA 0.179 4.519 4.340 0.000 0.000 0.288 362 L C 0.166 177.073 176.870 0.061 0.000 1.058 362 L CA 0.192 55.083 54.840 0.083 0.000 0.809 362 L CB 0.796 42.922 42.059 0.112 0.000 1.179 362 L HN 0.774 nan 8.230 nan 0.000 0.429 363 L N 5.165 126.420 121.223 0.054 0.000 2.253 363 L HA 0.195 4.535 4.340 0.000 0.000 0.205 363 L C -0.439 176.517 176.870 0.142 0.000 1.078 363 L CA 0.213 55.098 54.840 0.074 0.000 0.805 363 L CB -0.010 42.081 42.059 0.054 0.000 0.963 363 L HN 0.618 nan 8.230 nan 0.000 0.459 364 Y N -0.425 119.852 120.300 -0.040 0.000 2.558 364 Y HA 0.541 5.091 4.550 0.000 0.000 0.333 364 Y C -1.069 174.799 175.900 -0.053 0.000 1.125 364 Y CA -1.224 56.849 58.100 -0.045 0.000 1.039 364 Y CB 1.356 39.779 38.460 -0.062 0.000 1.331 364 Y HN -0.155 nan 8.280 nan 0.000 0.456 365 R N 3.729 123.772 120.500 -0.761 0.000 2.584 365 R HA 0.475 4.815 4.340 0.000 0.000 0.276 365 R C -1.931 173.914 176.300 -0.759 0.000 1.046 365 R CA -0.454 55.318 56.100 -0.546 0.000 0.906 365 R CB 1.573 31.741 30.300 -0.219 0.000 1.215 365 R HN 0.895 nan 8.270 nan 0.000 0.449 366 D N 1.221 121.379 120.400 -0.403 0.000 2.867 366 D HA 0.228 4.868 4.640 0.000 0.000 0.308 366 D C 0.692 176.956 176.300 -0.061 0.000 1.202 366 D CA -0.385 53.490 54.000 -0.208 0.000 1.035 366 D CB 0.085 40.817 40.800 -0.114 0.000 1.427 366 D HN 0.431 nan 8.370 nan 0.000 0.570 367 G N -1.277 107.508 108.800 -0.024 0.000 2.598 367 G HA2 -0.051 3.909 3.960 0.000 0.000 0.215 367 G HA3 -0.051 3.909 3.960 0.000 0.000 0.215 367 G C 0.644 175.562 174.900 0.031 0.000 1.131 367 G CA 0.374 45.519 45.100 0.075 0.000 0.785 367 G HN 0.517 nan 8.290 nan 0.000 0.539 368 E N -0.870 119.104 120.200 -0.377 0.000 2.630 368 E HA 0.313 4.663 4.350 0.000 0.000 0.218 368 E C 0.410 176.076 176.600 -1.557 0.000 0.977 368 E CA -0.195 55.565 56.400 -1.068 0.000 1.038 368 E CB 0.498 29.860 29.700 -0.564 0.000 1.051 368 E HN 0.564 nan 8.360 nan 0.000 0.487 369 M N -0.758 118.192 119.600 -1.083 0.000 2.694 369 M HA 0.497 4.977 4.480 0.000 0.000 0.276 369 M C -2.175 173.999 176.300 -0.211 0.000 1.167 369 M CA -0.910 53.967 55.300 -0.706 0.000 0.849 369 M CB 2.192 34.594 32.600 -0.330 0.000 1.705 369 M HN -0.019 nan 8.290 nan 0.000 0.504 370 I N 2.229 122.751 120.570 -0.080 0.000 2.619 370 I HA 0.771 4.941 4.170 0.000 0.000 0.292 370 I C -1.900 174.143 176.117 -0.122 0.000 1.100 370 I CA -0.883 60.371 61.300 -0.077 0.000 1.043 370 I CB 2.302 40.224 38.000 -0.130 0.000 1.239 370 I HN 0.673 nan 8.210 nan 0.000 0.420 371 V N 5.428 125.303 119.914 -0.065 0.000 2.525 371 V HA 0.589 4.709 4.120 0.000 0.000 0.299 371 V C -0.128 175.937 176.094 -0.049 0.000 1.034 371 V CA -0.399 61.871 62.300 -0.051 0.000 0.863 371 V CB 1.750 33.583 31.823 0.016 0.000 0.999 371 V HN 0.834 nan 8.190 nan 0.000 0.423 372 T N 1.874 116.387 114.554 -0.068 0.000 2.916 372 T HA 0.770 5.120 4.350 0.000 0.000 0.292 372 T C -0.661 174.038 174.700 -0.002 0.000 1.055 372 T CA -0.926 61.159 62.100 -0.026 0.000 1.009 372 T CB 2.453 71.302 68.868 -0.033 0.000 1.118 372 T HN 0.652 nan 8.240 nan 0.000 0.497 373 R N 0.620 121.137 120.500 0.028 0.000 2.514 373 R HA 0.643 4.983 4.340 0.000 0.000 0.301 373 R C -0.277 176.053 176.300 0.050 0.000 0.962 373 R CA -0.814 55.307 56.100 0.036 0.000 0.882 373 R CB 1.151 31.475 30.300 0.041 0.000 1.143 373 R HN 0.687 nan 8.270 nan 0.000 0.452 374 R N 1.606 122.135 120.500 0.047 0.000 2.549 374 R HA 0.257 4.597 4.340 0.000 0.000 0.259 374 R C 0.996 177.326 176.300 0.051 0.000 1.095 374 R CA -0.680 55.453 56.100 0.054 0.000 1.148 374 R CB 0.654 30.982 30.300 0.047 0.000 1.181 374 R HN 0.495 nan 8.270 nan 0.000 0.571 375 K N 1.103 121.533 120.400 0.049 0.000 2.057 375 K HA -0.138 4.182 4.320 0.000 0.000 0.206 375 K C 1.033 177.654 176.600 0.035 0.000 1.050 375 K CA 1.585 57.898 56.287 0.043 0.000 0.935 375 K CB -0.121 32.403 32.500 0.040 0.000 0.715 375 K HN 0.693 nan 8.250 nan 0.000 0.439 376 D N -0.212 120.206 120.400 0.029 0.000 2.390 376 D HA -0.061 4.580 4.640 0.000 0.000 0.235 376 D C 1.100 177.414 176.300 0.023 0.000 1.040 376 D CA 1.046 55.057 54.000 0.018 0.000 0.923 376 D CB -0.133 40.671 40.800 0.007 0.000 0.886 376 D HN 0.364 nan 8.370 nan 0.000 0.532 377 G N 0.017 108.842 108.800 0.042 0.000 2.217 377 G HA2 -0.309 3.651 3.960 0.000 0.000 0.246 377 G HA3 -0.309 3.651 3.960 0.000 0.000 0.246 377 G C 0.454 175.405 174.900 0.086 0.000 0.990 377 G CA 0.485 45.626 45.100 0.068 0.000 0.627 377 G HN 0.853 nan 8.290 nan 0.000 0.522 378 S N 0.750 116.486 115.700 0.061 0.000 2.593 378 S HA 0.696 5.166 4.470 0.000 0.000 0.269 378 S C 0.348 174.978 174.600 0.051 0.000 1.334 378 S CA -0.508 57.732 58.200 0.067 0.000 1.015 378 S CB 1.468 64.694 63.200 0.043 0.000 0.912 378 S HN 0.516 nan 8.310 nan 0.000 0.541 379 I N 1.320 121.913 120.570 0.039 0.000 2.412 379 I HA 0.591 4.761 4.170 0.000 0.000 0.296 379 I C 0.222 176.322 176.117 -0.028 0.000 0.987 379 I CA -0.676 60.626 61.300 0.002 0.000 1.180 379 I CB 0.929 38.921 38.000 -0.014 0.000 1.340 379 I HN 0.927 nan 8.210 nan 0.000 0.455 380 A N 5.100 127.891 122.820 -0.048 0.000 2.343 380 A HA 0.893 5.214 4.320 0.000 0.000 0.308 380 A C -0.678 176.828 177.584 -0.131 0.000 1.092 380 A CA -0.507 51.478 52.037 -0.088 0.000 0.751 380 A CB 1.556 20.514 19.000 -0.070 0.000 1.203 380 A HN 0.835 nan 8.150 nan 0.000 0.452 381 A N 1.793 124.515 122.820 -0.163 0.000 2.414 381 A HA 0.752 5.072 4.320 0.000 0.000 0.306 381 A C -0.976 176.472 177.584 -0.226 0.000 1.054 381 A CA -0.486 51.440 52.037 -0.185 0.000 0.724 381 A CB 1.465 20.376 19.000 -0.148 0.000 1.267 381 A HN 1.206 nan 8.150 nan 0.000 0.418 382 V N 2.454 122.221 119.914 -0.246 0.000 2.555 382 V HA 0.631 4.751 4.120 0.000 0.000 0.302 382 V C -0.776 175.308 176.094 -0.018 0.000 1.038 382 V CA -0.368 61.831 62.300 -0.168 0.000 0.887 382 V CB 1.243 32.822 31.823 -0.408 0.000 0.991 382 V HN 0.755 nan 8.190 nan 0.000 0.434 383 L N 4.265 125.505 121.223 0.028 0.000 2.388 383 L HA 0.792 5.132 4.340 0.000 0.000 0.264 383 L C -0.945 176.018 176.870 0.156 0.000 0.998 383 L CA -0.124 54.636 54.840 -0.133 0.000 0.817 383 L CB 2.027 43.986 42.059 -0.166 0.000 1.338 383 L HN 0.852 nan 8.230 nan 0.000 0.414 384 W N 0.469 121.793 121.300 0.040 0.000 3.107 384 W HA 0.605 5.265 4.660 0.000 0.000 0.331 384 W C -0.929 175.620 176.519 0.050 0.000 1.204 384 W CA -0.783 56.604 57.345 0.070 0.000 1.184 384 W CB 1.274 30.791 29.460 0.095 0.000 1.421 384 W HN 0.489 nan 8.180 nan 0.000 0.544 385 N N 3.391 122.219 118.700 0.213 0.000 2.804 385 N HA 0.145 4.885 4.740 0.000 0.000 0.251 385 N C -1.313 174.302 175.510 0.176 0.000 1.250 385 N CA -0.415 52.706 53.050 0.118 0.000 0.820 385 N CB 0.701 39.228 38.487 0.067 0.000 1.156 385 N HN 0.650 nan 8.380 nan 0.000 0.512 386 L N 3.961 125.325 121.223 0.235 0.000 2.361 386 L HA 0.335 4.675 4.340 0.000 0.000 0.278 386 L C -1.076 175.874 176.870 0.133 0.000 1.113 386 L CA 0.075 55.037 54.840 0.204 0.000 0.849 386 L CB 0.917 43.105 42.059 0.216 0.000 1.155 386 L HN 0.159 nan 8.230 nan 0.000 0.452 387 V N 7.396 127.381 119.914 0.118 0.000 2.409 387 V HA 0.229 4.349 4.120 0.000 0.000 0.290 387 V C 0.727 176.875 176.094 0.090 0.000 1.017 387 V CA -0.319 62.033 62.300 0.088 0.000 0.841 387 V CB 1.629 33.494 31.823 0.070 0.000 1.003 387 V HN 0.876 nan 8.190 nan 0.000 0.426 388 M N 1.595 121.247 119.600 0.086 0.000 2.502 388 M HA 0.202 4.682 4.480 0.000 0.000 0.243 388 M C 0.522 176.858 176.300 0.061 0.000 1.130 388 M CA 0.353 55.705 55.300 0.088 0.000 1.055 388 M CB 0.305 32.970 32.600 0.108 0.000 1.457 388 M HN 0.587 nan 8.290 nan 0.000 0.488 389 E N 1.693 121.922 120.200 0.049 0.000 2.349 389 E HA 0.268 4.618 4.350 0.000 0.000 0.262 389 E C -0.422 176.197 176.600 0.032 0.000 1.088 389 E CA -0.180 56.241 56.400 0.034 0.000 0.899 389 E CB 0.718 30.434 29.700 0.027 0.000 1.044 389 E HN 0.174 nan 8.360 nan 0.000 0.420 390 K N 0.235 120.648 120.400 0.021 0.000 2.202 390 K HA 0.536 4.856 4.320 0.000 0.000 0.264 390 K C 0.469 177.079 176.600 0.016 0.000 1.010 390 K CA 0.028 56.326 56.287 0.019 0.000 0.940 390 K CB 0.860 33.365 32.500 0.009 0.000 0.983 390 K HN 0.739 nan 8.250 nan 0.000 0.475 391 G N 0.595 109.404 108.800 0.015 0.000 2.534 391 G HA2 -0.056 3.904 3.960 0.000 0.000 0.142 391 G HA3 -0.056 3.904 3.960 0.000 0.000 0.142 391 G C -0.896 174.009 174.900 0.008 0.000 1.178 391 G CA -0.369 44.737 45.100 0.010 0.000 1.037 391 G HN 0.598 nan 8.290 nan 0.000 0.474 392 E N -1.042 119.163 120.200 0.007 0.000 4.087 392 E HA 0.508 4.858 4.350 0.000 0.000 0.195 392 E C 0.776 177.379 176.600 0.005 0.000 0.963 392 E CA -0.222 56.180 56.400 0.003 0.000 1.167 392 E CB 0.632 30.331 29.700 -0.001 0.000 1.838 392 E HN 0.817 nan 8.360 nan 0.000 0.390 393 G N 1.643 110.444 108.800 0.002 0.000 2.716 393 G HA2 0.311 4.271 3.960 0.000 0.000 0.296 393 G HA3 0.311 4.271 3.960 0.000 0.000 0.296 393 G C -0.450 174.455 174.900 0.007 0.000 0.811 393 G CA 0.031 45.133 45.100 0.003 0.000 1.758 393 G HN 0.195 nan 8.290 nan 0.000 0.512 394 L N 3.331 124.562 121.223 0.014 0.000 2.923 394 L HA 0.218 4.558 4.340 0.000 0.000 0.231 394 L C 1.289 178.171 176.870 0.019 0.000 1.300 394 L CA -0.430 54.420 54.840 0.017 0.000 1.184 394 L CB 0.291 42.363 42.059 0.023 0.000 1.511 394 L HN 0.535 nan 8.230 nan 0.000 0.448 395 T N -2.329 112.233 114.554 0.013 0.000 2.897 395 T HA 0.251 4.601 4.350 0.000 0.000 0.294 395 T C -0.103 174.599 174.700 0.003 0.000 1.004 395 T CA -0.590 61.517 62.100 0.012 0.000 1.106 395 T CB 1.439 70.313 68.868 0.010 0.000 0.949 395 T HN 0.198 nan 8.240 nan 0.000 0.520 396 K N 2.324 122.723 120.400 -0.001 0.000 2.159 396 K HA 0.322 4.642 4.320 0.000 0.000 0.266 396 K C -0.241 176.346 176.600 -0.023 0.000 0.975 396 K CA -0.556 55.721 56.287 -0.016 0.000 0.865 396 K CB 0.900 33.383 32.500 -0.028 0.000 1.087 396 K HN 0.725 nan 8.250 nan 0.000 0.446 397 E N 2.111 122.295 120.200 -0.027 0.000 2.216 397 E HA 0.311 4.661 4.350 0.000 0.000 0.279 397 E C -1.134 175.439 176.600 -0.046 0.000 0.997 397 E CA -0.905 55.476 56.400 -0.032 0.000 0.817 397 E CB 1.905 31.589 29.700 -0.026 0.000 1.096 397 E HN 0.169 nan 8.360 nan 0.000 0.393 398 V N 3.020 122.901 119.914 -0.054 0.000 2.577 398 V HA 0.209 4.330 4.120 0.000 0.000 0.303 398 V C -0.822 175.231 176.094 -0.068 0.000 1.042 398 V CA -0.961 61.295 62.300 -0.073 0.000 0.872 398 V CB 1.666 33.432 31.823 -0.096 0.000 0.998 398 V HN 0.626 nan 8.190 nan 0.000 0.423 399 Q N 3.731 123.490 119.800 -0.069 0.000 2.372 399 Q HA 0.679 5.019 4.340 0.000 0.000 0.259 399 Q C -1.219 174.728 176.000 -0.088 0.000 0.993 399 Q CA -0.199 55.569 55.803 -0.058 0.000 0.854 399 Q CB 1.878 30.595 28.738 -0.034 0.000 1.231 399 Q HN 0.610 nan 8.270 nan 0.000 0.462 400 L N 2.883 124.047 121.223 -0.098 0.000 2.313 400 L HA 0.538 4.878 4.340 0.000 0.000 0.283 400 L C -1.085 175.693 176.870 -0.153 0.000 1.013 400 L CA -0.551 54.200 54.840 -0.148 0.000 0.816 400 L CB 1.991 43.954 42.059 -0.161 0.000 1.236 400 L HN 0.379 nan 8.230 nan 0.000 0.419 401 V N 5.424 125.219 119.914 -0.199 0.000 2.357 401 V HA 0.510 4.630 4.120 0.000 0.000 0.284 401 V C -0.103 175.839 176.094 -0.253 0.000 1.018 401 V CA -0.565 61.564 62.300 -0.285 0.000 0.841 401 V CB 1.347 33.002 31.823 -0.280 0.000 0.991 401 V HN 0.584 nan 8.190 nan 0.000 0.437 402 I N 3.564 123.982 120.570 -0.253 0.000 2.447 402 I HA 0.618 4.788 4.170 0.000 0.000 0.287 402 I C -2.706 173.288 176.117 -0.205 0.000 1.023 402 I CA -2.538 58.644 61.300 -0.196 0.000 1.083 402 I CB 2.520 40.427 38.000 -0.155 0.000 1.245 402 I HN 0.335 nan 8.210 nan 0.000 0.434 403 P HA 0.112 nan 4.420 nan 0.000 0.268 403 P C -0.605 176.556 177.300 -0.232 0.000 1.205 403 P CA -0.008 62.983 63.100 -0.182 0.000 0.771 403 P CB 1.900 33.521 31.700 -0.132 0.000 0.858 404 V N 2.930 122.658 119.914 -0.310 0.000 2.624 404 V HA 0.007 4.128 4.120 0.000 0.000 0.294 404 V C 1.381 177.108 176.094 -0.612 0.000 1.077 404 V CA -0.112 61.841 62.300 -0.578 0.000 0.905 404 V CB 1.597 33.054 31.823 -0.609 0.000 1.025 404 V HN 0.566 nan 8.190 nan 0.000 0.440 405 S N 4.812 120.133 115.700 -0.631 0.000 2.374 405 S HA -0.102 4.368 4.470 0.000 0.000 0.227 405 S C 0.629 175.111 174.600 -0.197 0.000 1.037 405 S CA 1.691 59.730 58.200 -0.268 0.000 1.024 405 S CB -0.334 62.889 63.200 0.037 0.000 0.861 405 S HN 0.716 nan 8.310 nan 0.000 0.456 406 F N 1.114 121.061 119.950 -0.005 0.000 2.410 406 F HA 0.665 5.192 4.527 0.000 0.000 0.324 406 F C 1.462 177.263 175.800 0.000 0.000 1.093 406 F CA -1.021 56.979 58.000 -0.000 0.000 1.028 406 F CB 0.256 39.258 39.000 0.004 0.000 1.309 406 F HN -0.070 nan 8.300 nan 0.000 0.499 407 S N -0.704 115.130 115.700 0.223 0.000 2.470 407 S HA 0.545 5.015 4.470 0.000 0.000 0.225 407 S C 0.475 175.159 174.600 0.140 0.000 1.006 407 S CA 0.275 58.546 58.200 0.119 0.000 0.934 407 S CB -0.359 62.892 63.200 0.085 0.000 0.778 407 S HN 0.957 nan 8.310 nan 0.000 0.517 408 A N 0.384 123.348 122.820 0.239 0.000 2.515 408 A HA 0.770 5.090 4.320 0.000 0.000 0.298 408 A C -1.286 176.462 177.584 0.274 0.000 1.059 408 A CA -0.634 51.520 52.037 0.195 0.000 0.698 408 A CB 1.933 21.002 19.000 0.115 0.000 1.289 408 A HN 0.241 nan 8.150 nan 0.000 0.404 409 V N 1.713 121.752 119.914 0.208 0.000 2.638 409 V HA 0.535 4.656 4.120 0.000 0.000 0.306 409 V C -1.472 174.727 176.094 0.174 0.000 1.052 409 V CA -0.422 62.013 62.300 0.224 0.000 0.885 409 V CB 1.779 33.721 31.823 0.199 0.000 0.999 409 V HN 0.874 nan 8.190 nan 0.000 0.424 410 F N 6.913 126.878 119.950 0.025 0.000 2.391 410 F HA 0.648 5.175 4.527 0.000 0.000 0.359 410 F C -0.243 175.551 175.800 -0.010 0.000 1.122 410 F CA -0.519 57.478 58.000 -0.005 0.000 1.120 410 F CB 0.700 39.685 39.000 -0.025 0.000 1.142 410 F HN 0.330 nan 8.300 nan 0.000 0.483 411 I N 6.823 127.000 120.570 -0.654 0.000 2.354 411 I HA 0.314 4.484 4.170 0.000 0.000 0.292 411 I C -0.521 175.121 176.117 -0.792 0.000 0.989 411 I CA -0.738 60.246 61.300 -0.527 0.000 1.188 411 I CB 1.517 39.338 38.000 -0.298 0.000 1.342 411 I HN 0.500 nan 8.210 nan 0.000 0.457 412 K N 7.387 127.465 120.400 -0.537 0.000 2.323 412 K HA 0.508 4.828 4.320 0.000 0.000 0.259 412 K C -0.903 175.542 176.600 -0.259 0.000 0.947 412 K CA -0.759 55.300 56.287 -0.381 0.000 0.819 412 K CB 1.614 33.999 32.500 -0.191 0.000 1.109 412 K HN 0.571 nan 8.250 nan 0.000 0.429 413 R N 3.678 124.034 120.500 -0.240 0.000 2.437 413 R HA 0.220 4.560 4.340 0.000 0.000 0.310 413 R C -1.034 175.131 176.300 -0.224 0.000 0.955 413 R CA -0.432 55.535 56.100 -0.221 0.000 0.851 413 R CB 1.298 31.494 30.300 -0.174 0.000 1.161 413 R HN 0.638 nan 8.270 nan 0.000 0.446 414 Q N 4.577 124.200 119.800 -0.296 0.000 2.312 414 Q HA 0.439 4.779 4.340 0.000 0.000 0.263 414 Q C -0.653 175.240 176.000 -0.178 0.000 0.995 414 Q CA -0.796 54.854 55.803 -0.255 0.000 0.853 414 Q CB 2.663 31.223 28.738 -0.297 0.000 1.300 414 Q HN 0.534 nan 8.270 nan 0.000 0.448 415 I N 0.717 121.323 120.570 0.060 0.000 2.582 415 I HA 0.593 4.763 4.170 0.000 0.000 0.292 415 I C -1.657 174.660 176.117 0.333 0.000 1.066 415 I CA -0.909 60.517 61.300 0.210 0.000 1.053 415 I CB 1.886 40.007 38.000 0.201 0.000 1.241 415 I HN 0.418 nan 8.210 nan 0.000 0.421 416 V N 8.194 128.340 119.914 0.386 0.000 2.487 416 V HA 0.562 4.682 4.120 0.000 0.000 0.298 416 V C -0.057 176.204 176.094 0.278 0.000 1.028 416 V CA -0.418 62.077 62.300 0.325 0.000 0.860 416 V CB 1.617 33.621 31.823 0.302 0.000 0.991 416 V HN 1.033 nan 8.190 nan 0.000 0.427 417 N N 2.281 121.121 118.700 0.233 0.000 3.635 417 N HA 0.302 5.042 4.740 0.000 0.000 0.347 417 N C -0.015 175.563 175.510 0.113 0.000 1.596 417 N CA -0.729 52.420 53.050 0.165 0.000 0.778 417 N CB 1.100 39.674 38.487 0.146 0.000 2.436 417 N HN 0.259 nan 8.380 nan 0.000 0.569 418 E N -0.003 120.236 120.200 0.065 0.000 2.338 418 E HA -0.158 4.192 4.350 0.000 0.000 0.197 418 E C 1.087 177.671 176.600 -0.026 0.000 1.007 418 E CA 1.161 57.589 56.400 0.047 0.000 0.849 418 E CB 0.070 29.794 29.700 0.041 0.000 0.774 418 E HN 0.521 nan 8.360 nan 0.000 0.506 419 Q N -0.925 118.792 119.800 -0.138 0.000 2.462 419 Q HA 0.064 4.404 4.340 0.000 0.000 0.224 419 Q C -0.054 175.788 176.000 -0.262 0.000 0.911 419 Q CA 0.153 55.759 55.803 -0.328 0.000 0.925 419 Q CB 0.675 29.007 28.738 -0.678 0.000 1.063 419 Q HN 0.205 nan 8.270 nan 0.000 0.572 420 Y N -1.069 119.263 120.300 0.053 0.000 2.387 420 Y HA 0.413 4.963 4.550 0.000 0.000 0.336 420 Y C 0.956 176.924 175.900 0.115 0.000 1.067 420 Y CA -0.278 57.864 58.100 0.070 0.000 1.114 420 Y CB 2.125 40.628 38.460 0.072 0.000 1.208 420 Y HN 0.336 nan 8.280 nan 0.000 0.458 421 G N 2.315 111.296 108.800 0.301 0.000 2.153 421 G HA2 -0.372 3.588 3.960 0.000 0.000 0.252 421 G HA3 -0.372 3.588 3.960 0.000 0.000 0.252 421 G C -0.297 174.765 174.900 0.270 0.000 0.994 421 G CA 0.389 45.633 45.100 0.241 0.000 0.698 421 G HN 0.739 nan 8.290 nan 0.000 0.521 422 N N -0.345 118.482 118.700 0.212 0.000 2.776 422 N HA 0.631 5.371 4.740 0.000 0.000 0.245 422 N C 1.370 176.964 175.510 0.140 0.000 1.121 422 N CA 0.368 53.521 53.050 0.172 0.000 0.852 422 N CB 0.320 38.898 38.487 0.151 0.000 1.142 422 N HN 0.315 nan 8.380 nan 0.000 0.514 423 A N 2.136 125.044 122.820 0.146 0.000 2.015 423 A HA -0.125 4.195 4.320 0.000 0.000 0.219 423 A C 1.792 179.383 177.584 0.013 0.000 1.163 423 A CA 0.578 52.715 52.037 0.167 0.000 0.646 423 A CB -0.645 18.560 19.000 0.342 0.000 0.806 423 A HN 0.899 nan 8.150 nan 0.000 0.448 424 W N 0.938 121.922 121.300 -0.526 0.000 2.335 424 W HA -0.217 4.443 4.660 0.000 0.000 0.311 424 W C 2.307 178.762 176.519 -0.106 0.000 1.213 424 W CA 2.040 58.979 57.345 -0.677 0.000 1.274 424 W CB -0.278 28.781 29.460 -0.669 0.000 1.148 424 W HN 0.317 nan 8.180 nan 0.000 0.498 425 R N -0.085 120.377 120.500 -0.063 0.000 2.073 425 R HA -0.179 4.161 4.340 0.000 0.000 0.234 425 R C 1.982 178.202 176.300 -0.134 0.000 1.134 425 R CA 2.480 58.465 56.100 -0.192 0.000 0.952 425 R CB -0.778 29.488 30.300 -0.056 0.000 0.850 425 R HN 0.167 nan 8.270 nan 0.000 0.433 426 V N -0.393 119.514 119.914 -0.012 0.000 2.427 426 V HA -0.217 3.903 4.120 0.000 0.000 0.248 426 V C 1.882 178.015 176.094 0.065 0.000 1.051 426 V CA 1.726 64.043 62.300 0.028 0.000 1.048 426 V CB -0.755 31.120 31.823 0.087 0.000 0.666 426 V HN 0.570 nan 8.190 nan 0.000 0.456 427 W N 1.634 122.902 121.300 -0.053 0.000 2.342 427 W HA -0.183 4.477 4.660 0.000 0.000 0.297 427 W C 2.318 178.784 176.519 -0.089 0.000 1.213 427 W CA 1.771 59.123 57.345 0.012 0.000 1.251 427 W CB -0.148 29.425 29.460 0.188 0.000 1.136 427 W HN 0.116 nan 8.180 nan 0.000 0.526 428 K N -0.133 120.079 120.400 -0.314 0.000 2.057 428 K HA -0.204 4.116 4.320 0.000 0.000 0.206 428 K C 2.059 178.449 176.600 -0.350 0.000 1.050 428 K CA 1.889 57.867 56.287 -0.515 0.000 0.935 428 K CB -0.483 31.698 32.500 -0.531 0.000 0.715 428 K HN 0.319 nan 8.250 nan 0.000 0.439 429 Q N 0.321 119.986 119.800 -0.225 0.000 2.170 429 Q HA -0.072 4.268 4.340 0.000 0.000 0.203 429 Q C 1.852 177.768 176.000 -0.139 0.000 0.976 429 Q CA 1.237 56.947 55.803 -0.155 0.000 0.858 429 Q CB -0.123 28.556 28.738 -0.098 0.000 0.907 429 Q HN 0.342 nan 8.270 nan 0.000 0.433 430 M N -0.872 118.642 119.600 -0.143 0.000 2.630 430 M HA 0.042 4.522 4.480 0.000 0.000 0.254 430 M C 0.681 176.875 176.300 -0.177 0.000 1.092 430 M CA 0.867 56.097 55.300 -0.116 0.000 1.087 430 M CB 0.424 32.994 32.600 -0.050 0.000 1.453 430 M HN 0.421 nan 8.290 nan 0.000 0.509 431 G N 1.308 109.945 108.800 -0.273 0.000 2.141 431 G HA2 -0.239 3.721 3.960 0.000 0.000 0.195 431 G HA3 -0.239 3.721 3.960 0.000 0.000 0.195 431 G C -0.054 174.602 174.900 -0.407 0.000 1.012 431 G CA -0.322 44.612 45.100 -0.276 0.000 0.696 431 G HN 0.487 nan 8.290 nan 0.000 0.508 432 R N -1.554 118.484 120.500 -0.769 0.000 3.092 432 R HA -0.160 4.180 4.340 0.000 0.000 0.245 432 R C -2.134 173.838 176.300 -0.546 0.000 0.881 432 R CA 0.849 56.164 56.100 -1.307 0.000 0.614 432 R CB -1.535 28.125 30.300 -1.066 0.000 1.128 432 R HN 0.525 nan 8.270 nan 0.000 0.483 433 P HA -0.015 nan 4.420 nan 0.000 0.271 433 P C 0.230 177.638 177.300 0.181 0.000 1.220 433 P CA 0.141 63.255 63.100 0.024 0.000 0.768 433 P CB 0.670 32.426 31.700 0.093 0.000 0.848 434 R N 2.069 122.496 120.500 -0.122 0.000 2.092 434 R HA 0.021 4.361 4.340 0.000 0.000 0.231 434 R C 0.397 176.313 176.300 -0.639 0.000 1.119 434 R CA 1.346 57.132 56.100 -0.524 0.000 0.970 434 R CB -0.177 29.399 30.300 -1.208 0.000 0.864 434 R HN 0.503 nan 8.270 nan 0.000 0.440 435 F N 1.405 121.460 119.950 0.175 0.000 2.584 435 F HA 0.334 4.861 4.527 0.000 0.000 0.328 435 F C -2.032 173.834 175.800 0.110 0.000 1.407 435 F CA -2.243 55.835 58.000 0.131 0.000 1.145 435 F CB 0.780 39.836 39.000 0.094 0.000 1.440 435 F HN -0.126 nan 8.300 nan 0.000 0.580 436 P HA 0.196 nan 4.420 nan 0.000 0.274 436 P C 0.053 177.393 177.300 0.067 0.000 1.246 436 P CA -0.228 62.947 63.100 0.124 0.000 0.795 436 P CB 1.154 32.922 31.700 0.113 0.000 1.006 437 S N 0.655 116.383 115.700 0.046 0.000 2.624 437 S HA 0.244 4.714 4.470 0.000 0.000 0.263 437 S C 1.311 175.894 174.600 -0.029 0.000 1.287 437 S CA -0.611 57.603 58.200 0.024 0.000 0.990 437 S CB 0.862 64.081 63.200 0.032 0.000 0.950 437 S HN 0.342 nan 8.310 nan 0.000 0.561 438 R N 0.518 121.004 120.500 -0.023 0.000 2.091 438 R HA -0.148 4.192 4.340 0.000 0.000 0.238 438 R C 2.607 178.892 176.300 -0.026 0.000 1.136 438 R CA 2.130 58.207 56.100 -0.038 0.000 0.959 438 R CB -0.479 29.819 30.300 -0.003 0.000 0.856 438 R HN 0.739 nan 8.270 nan 0.000 0.437 439 Q N -0.291 119.507 119.800 -0.002 0.000 2.119 439 Q HA -0.069 4.271 4.340 0.000 0.000 0.201 439 Q C 2.185 178.193 176.000 0.013 0.000 0.972 439 Q CA 1.424 57.233 55.803 0.009 0.000 0.847 439 Q CB -0.056 28.692 28.738 0.017 0.000 0.903 439 Q HN 0.372 nan 8.270 nan 0.000 0.433 440 A N 0.344 123.172 122.820 0.013 0.000 1.898 440 A HA -0.118 4.202 4.320 0.000 0.000 0.216 440 A C 2.338 179.937 177.584 0.025 0.000 1.181 440 A CA 1.092 53.149 52.037 0.034 0.000 0.620 440 A CB -0.724 18.308 19.000 0.053 0.000 0.819 440 A HN 0.197 nan 8.150 nan 0.000 0.442 441 V N 0.311 120.200 119.914 -0.041 0.000 2.282 441 V HA -0.349 3.771 4.120 0.000 0.000 0.249 441 V C 2.448 178.532 176.094 -0.016 0.000 1.057 441 V CA 2.588 64.835 62.300 -0.089 0.000 1.032 441 V CB -0.929 30.718 31.823 -0.294 0.000 0.645 441 V HN 0.677 nan 8.190 nan 0.000 0.447 442 E N -0.464 119.734 120.200 -0.004 0.000 2.077 442 E HA -0.178 4.172 4.350 0.000 0.000 0.193 442 E C 2.291 178.916 176.600 0.041 0.000 0.989 442 E CA 1.723 58.135 56.400 0.020 0.000 0.800 442 E CB -0.358 29.355 29.700 0.021 0.000 0.746 442 E HN 0.572 nan 8.360 nan 0.000 0.452 443 T N 1.353 115.935 114.554 0.046 0.000 2.720 443 T HA -0.144 4.206 4.350 0.000 0.000 0.268 443 T C 1.857 176.610 174.700 0.088 0.000 1.037 443 T CA 0.932 63.071 62.100 0.064 0.000 1.144 443 T CB -0.192 68.714 68.868 0.062 0.000 0.864 443 T HN 0.093 nan 8.240 nan 0.000 0.444 444 L N 0.353 121.637 121.223 0.102 0.000 2.093 444 L HA -0.029 4.311 4.340 0.000 0.000 0.208 444 L C 2.834 179.781 176.870 0.129 0.000 1.085 444 L CA 1.165 56.093 54.840 0.147 0.000 0.755 444 L CB -0.482 41.689 42.059 0.187 0.000 0.904 444 L HN 0.173 nan 8.230 nan 0.000 0.435 445 R N 0.277 120.828 120.500 0.086 0.000 2.081 445 R HA -0.236 4.104 4.340 0.000 0.000 0.235 445 R C 2.334 178.685 176.300 0.086 0.000 1.131 445 R CA 1.801 57.944 56.100 0.071 0.000 0.960 445 R CB -0.167 30.159 30.300 0.044 0.000 0.856 445 R HN 0.372 nan 8.270 nan 0.000 0.436 446 Q N -0.073 119.777 119.800 0.083 0.000 2.084 446 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 446 Q C 1.887 177.952 176.000 0.108 0.000 0.978 446 Q CA 1.679 57.534 55.803 0.086 0.000 0.844 446 Q CB 0.145 28.927 28.738 0.074 0.000 0.898 446 Q HN 0.275 nan 8.270 nan 0.000 0.426 447 V N 0.718 120.705 119.914 0.121 0.000 2.667 447 V HA -0.129 3.991 4.120 0.000 0.000 0.252 447 V C 2.028 178.226 176.094 0.173 0.000 1.065 447 V CA 1.383 63.769 62.300 0.144 0.000 1.083 447 V CB -0.423 31.481 31.823 0.135 0.000 0.692 447 V HN 0.481 nan 8.190 nan 0.000 0.468 448 A N -1.052 121.875 122.820 0.178 0.000 2.239 448 A HA -0.008 4.312 4.320 0.000 0.000 0.209 448 A C 1.138 178.884 177.584 0.271 0.000 1.171 448 A CA 0.411 52.588 52.037 0.233 0.000 0.768 448 A CB -0.224 18.896 19.000 0.200 0.000 0.790 448 A HN 0.508 nan 8.150 nan 0.000 0.478 449 Q N 0.443 120.344 119.800 0.168 0.000 2.293 449 Q HA 0.325 4.665 4.340 0.000 0.000 0.251 449 Q C -2.563 173.445 176.000 0.015 0.000 0.930 449 Q CA -2.312 53.547 55.803 0.094 0.000 0.893 449 Q CB 0.028 28.821 28.738 0.093 0.000 1.215 449 Q HN 0.173 nan 8.270 nan 0.000 0.425 450 P HA -0.014 nan 4.420 nan 0.000 0.270 450 P C -0.385 176.945 177.300 0.049 0.000 1.223 450 P CA -0.006 63.081 63.100 -0.023 0.000 0.785 450 P CB 0.451 32.181 31.700 0.051 0.000 0.923 451 H N 1.419 120.445 119.070 -0.073 0.000 2.646 451 H HA 0.253 4.809 4.556 0.000 0.000 0.325 451 H C -0.986 174.236 175.328 -0.177 0.000 1.075 451 H CA -0.291 55.600 56.048 -0.262 0.000 1.421 451 H CB 0.594 29.884 29.762 -0.787 0.000 1.461 451 H HN 0.043 nan 8.280 nan 0.000 0.525 452 V N 7.710 127.264 119.914 -0.601 0.000 2.384 452 V HA 0.273 4.393 4.120 0.000 0.000 0.287 452 V C 0.081 175.862 176.094 -0.522 0.000 1.020 452 V CA -0.537 61.520 62.300 -0.406 0.000 0.850 452 V CB 1.252 32.945 31.823 -0.217 0.000 0.987 452 V HN 0.732 nan 8.190 nan 0.000 0.436 453 M N 4.360 123.753 119.600 -0.345 0.000 2.535 453 M HA 0.756 5.236 4.480 0.000 0.000 0.314 453 M C -0.274 175.902 176.300 -0.207 0.000 1.153 453 M CA -0.423 54.731 55.300 -0.244 0.000 0.924 453 M CB 2.590 35.092 32.600 -0.163 0.000 1.710 453 M HN 0.743 nan 8.290 nan 0.000 0.451 454 T N -0.865 113.583 114.554 -0.176 0.000 2.883 454 T HA 0.844 5.194 4.350 0.000 0.000 0.301 454 T C -1.239 173.346 174.700 -0.192 0.000 1.158 454 T CA -0.850 61.096 62.100 -0.257 0.000 1.007 454 T CB 2.643 71.443 68.868 -0.113 0.000 1.186 454 T HN 0.879 nan 8.240 nan 0.000 0.499 455 E N 0.576 120.602 120.200 -0.290 0.000 2.416 455 E HA 0.398 4.748 4.350 0.000 0.000 0.280 455 E C -1.482 175.049 176.600 -0.115 0.000 1.055 455 E CA -1.116 55.207 56.400 -0.128 0.000 0.825 455 E CB 1.664 31.302 29.700 -0.105 0.000 1.312 455 E HN 0.757 nan 8.360 nan 0.000 0.452 456 Q N 1.196 121.012 119.800 0.027 0.000 2.256 456 Q HA 0.508 4.848 4.340 0.000 0.000 0.257 456 Q C -1.217 174.801 176.000 0.029 0.000 0.936 456 Q CA -0.890 54.959 55.803 0.077 0.000 0.903 456 Q CB 1.510 30.318 28.738 0.116 0.000 1.263 456 Q HN 0.465 nan 8.270 nan 0.000 0.440 457 R N 2.015 122.536 120.500 0.035 0.000 2.502 457 R HA 0.336 4.676 4.340 0.000 0.000 0.300 457 R C -1.613 174.712 176.300 0.043 0.000 0.984 457 R CA -0.759 55.354 56.100 0.022 0.000 0.882 457 R CB 1.039 31.338 30.300 -0.002 0.000 1.180 457 R HN 0.594 nan 8.270 nan 0.000 0.444 458 R N 3.189 123.711 120.500 0.036 0.000 2.401 458 R HA 0.461 4.802 4.340 0.000 0.000 0.299 458 R C -1.048 175.268 176.300 0.027 0.000 1.064 458 R CA 0.356 56.479 56.100 0.039 0.000 1.000 458 R CB 0.768 31.087 30.300 0.030 0.000 0.973 458 R HN 0.676 nan 8.270 nan 0.000 0.438 459 A N 4.349 127.182 122.820 0.022 0.000 2.294 459 A HA 0.262 4.582 4.320 0.000 0.000 0.316 459 A C -0.218 177.351 177.584 -0.025 0.000 1.359 459 A CA -0.356 51.669 52.037 -0.020 0.000 0.956 459 A CB 0.424 19.381 19.000 -0.072 0.000 1.155 459 A HN 0.796 nan 8.150 nan 0.000 0.544 460 T N 1.978 116.527 114.554 -0.008 0.000 2.737 460 T HA 0.361 4.712 4.350 0.000 0.000 0.296 460 T C -0.019 174.667 174.700 -0.023 0.000 0.922 460 T CA 0.304 62.404 62.100 -0.001 0.000 1.079 460 T CB -0.365 68.522 68.868 0.031 0.000 0.892 460 T HN 0.693 nan 8.240 nan 0.000 0.514 461 D N 3.461 123.840 120.400 -0.035 0.000 3.051 461 D HA -0.142 4.498 4.640 0.000 0.000 0.218 461 D C 0.846 177.102 176.300 -0.075 0.000 1.129 461 D CA 1.670 55.646 54.000 -0.040 0.000 0.868 461 D CB -1.543 39.248 40.800 -0.016 0.000 1.100 461 D HN 1.392 nan 8.370 nan 0.000 0.429 462 G N -1.353 107.380 108.800 -0.112 0.000 2.160 462 G HA2 -0.127 3.833 3.960 0.000 0.000 0.244 462 G HA3 -0.127 3.833 3.960 0.000 0.000 0.244 462 G C 0.041 174.829 174.900 -0.187 0.000 1.022 462 G CA 0.280 45.285 45.100 -0.159 0.000 0.741 462 G HN 0.856 nan 8.290 nan 0.000 0.508 463 V N 0.816 120.618 119.914 -0.186 0.000 2.852 463 V HA 0.608 4.728 4.120 0.000 0.000 0.300 463 V C -0.017 175.950 176.094 -0.211 0.000 1.205 463 V CA -0.483 61.681 62.300 -0.226 0.000 0.940 463 V CB 2.083 33.755 31.823 -0.252 0.000 1.047 463 V HN 0.893 nan 8.190 nan 0.000 0.429 464 I N 1.087 121.517 120.570 -0.234 0.000 2.493 464 I HA 0.724 4.894 4.170 0.000 0.000 0.298 464 I C -0.706 175.253 176.117 -0.263 0.000 0.998 464 I CA -0.562 60.640 61.300 -0.164 0.000 1.137 464 I CB 1.834 39.779 38.000 -0.091 0.000 1.310 464 I HN 0.625 nan 8.210 nan 0.000 0.445 465 H N 5.832 124.859 119.070 -0.072 0.000 2.517 465 H HA 0.610 5.166 4.556 0.000 0.000 0.317 465 H C -0.782 174.502 175.328 -0.073 0.000 1.080 465 H CA -0.351 55.653 56.048 -0.074 0.000 1.301 465 H CB 1.478 31.202 29.762 -0.064 0.000 1.425 465 H HN 0.430 nan 8.280 nan 0.000 0.471 466 L N 2.592 123.816 121.223 0.002 0.000 2.325 466 L HA 0.379 4.719 4.340 0.000 0.000 0.281 466 L C -0.365 176.488 176.870 -0.029 0.000 1.004 466 L CA -0.577 54.245 54.840 -0.030 0.000 0.823 466 L CB 1.678 43.694 42.059 -0.072 0.000 1.236 466 L HN 0.563 nan 8.230 nan 0.000 0.415 467 S N 4.878 120.563 115.700 -0.025 0.000 2.448 467 S HA 0.546 5.016 4.470 0.000 0.000 0.320 467 S C -0.177 174.401 174.600 -0.037 0.000 1.071 467 S CA -0.513 57.669 58.200 -0.030 0.000 1.113 467 S CB 0.648 63.834 63.200 -0.023 0.000 0.972 467 S HN 0.281 nan 8.310 nan 0.000 0.465 468 I N 3.623 124.166 120.570 -0.045 0.000 2.355 468 I HA 0.351 4.521 4.170 0.000 0.000 0.288 468 I C -0.183 175.915 176.117 -0.031 0.000 0.999 468 I CA -0.762 60.511 61.300 -0.044 0.000 1.163 468 I CB 0.961 38.923 38.000 -0.063 0.000 1.316 468 I HN 0.202 nan 8.210 nan 0.000 0.454 469 V N 7.479 127.384 119.914 -0.015 0.000 2.465 469 V HA 0.359 4.479 4.120 0.000 0.000 0.279 469 V C 0.281 176.381 176.094 0.010 0.000 1.045 469 V CA -0.455 61.843 62.300 -0.004 0.000 0.938 469 V CB 1.783 33.609 31.823 0.005 0.000 0.986 469 V HN 0.466 nan 8.190 nan 0.000 0.467 470 L N 5.279 126.507 121.223 0.009 0.000 2.319 470 L HA 0.463 4.803 4.340 0.000 0.000 0.281 470 L C 0.685 177.578 176.870 0.038 0.000 1.005 470 L CA -0.186 54.672 54.840 0.029 0.000 0.828 470 L CB 1.870 43.937 42.059 0.013 0.000 1.227 470 L HN 0.824 nan 8.230 nan 0.000 0.415 471 S N 2.224 117.957 115.700 0.055 0.000 2.633 471 S HA 0.184 4.654 4.470 0.000 0.000 0.257 471 S C 0.074 174.709 174.600 0.058 0.000 1.265 471 S CA -0.730 57.498 58.200 0.046 0.000 0.980 471 S CB 0.695 63.919 63.200 0.040 0.000 1.017 471 S HN 0.569 nan 8.310 nan 0.000 0.577 472 K N 1.035 121.465 120.400 0.050 0.000 2.436 472 K HA -0.034 4.287 4.320 0.000 0.000 0.282 472 K C -0.301 176.352 176.600 0.087 0.000 1.044 472 K CA 0.328 56.652 56.287 0.062 0.000 1.028 472 K CB -0.467 32.062 32.500 0.049 0.000 0.919 472 K HN 0.624 nan 8.250 nan 0.000 0.474 473 N N 2.122 120.887 118.700 0.109 0.000 2.725 473 N HA -0.216 4.524 4.740 0.000 0.000 0.249 473 N C -0.683 174.926 175.510 0.165 0.000 1.103 473 N CA 1.075 54.210 53.050 0.141 0.000 0.707 473 N CB -0.884 37.678 38.487 0.125 0.000 1.043 473 N HN 0.782 nan 8.380 nan 0.000 0.553 474 E N 0.435 120.734 120.200 0.164 0.000 2.354 474 E HA 0.341 4.691 4.350 0.000 0.000 0.269 474 E C -0.469 176.283 176.600 0.254 0.000 1.036 474 E CA -0.398 56.116 56.400 0.191 0.000 0.876 474 E CB 0.857 30.649 29.700 0.153 0.000 1.009 474 E HN 0.048 nan 8.360 nan 0.000 0.416 475 V N 3.531 123.625 119.914 0.301 0.000 2.495 475 V HA 0.446 4.566 4.120 0.000 0.000 0.298 475 V C -0.069 176.272 176.094 0.411 0.000 1.031 475 V CA -0.727 61.807 62.300 0.390 0.000 0.871 475 V CB 1.709 33.780 31.823 0.413 0.000 0.988 475 V HN 0.755 nan 8.190 nan 0.000 0.432 476 T N 4.548 119.261 114.554 0.264 0.000 2.916 476 T HA 0.639 4.989 4.350 0.000 0.000 0.298 476 T C -1.487 173.057 174.700 -0.260 0.000 1.031 476 T CA -0.393 61.706 62.100 -0.002 0.000 0.993 476 T CB 1.388 70.251 68.868 -0.009 0.000 1.045 476 T HN 0.577 nan 8.240 nan 0.000 0.454 477 L N 6.050 126.829 121.223 -0.740 0.000 2.295 477 L HA 0.780 5.120 4.340 0.000 0.000 0.285 477 L C -1.247 175.385 176.870 -0.397 0.000 1.035 477 L CA -0.317 54.140 54.840 -0.639 0.000 0.806 477 L CB 0.795 42.269 42.059 -0.975 0.000 1.214 477 L HN 0.668 nan 8.230 nan 0.000 0.426 478 I N 4.418 124.824 120.570 -0.273 0.000 2.436 478 I HA 0.412 4.582 4.170 0.000 0.000 0.289 478 I C -0.603 175.410 176.117 -0.173 0.000 1.010 478 I CA -0.459 60.714 61.300 -0.211 0.000 1.098 478 I CB 1.788 39.684 38.000 -0.174 0.000 1.266 478 I HN 0.609 nan 8.210 nan 0.000 0.434 479 E N 6.796 126.903 120.200 -0.155 0.000 2.176 479 E HA 0.608 4.958 4.350 0.000 0.000 0.267 479 E C -1.165 175.381 176.600 -0.089 0.000 0.893 479 E CA -0.613 55.728 56.400 -0.098 0.000 0.761 479 E CB 2.780 32.441 29.700 -0.066 0.000 1.133 479 E HN 0.422 nan 8.360 nan 0.000 0.409 480 I N 3.044 123.591 120.570 -0.039 0.000 2.411 480 I HA 0.236 4.406 4.170 0.000 0.000 0.284 480 I C -0.267 175.893 176.117 0.073 0.000 1.012 480 I CA -0.394 60.904 61.300 -0.004 0.000 1.119 480 I CB 1.194 39.191 38.000 -0.005 0.000 1.261 480 I HN 0.303 nan 8.210 nan 0.000 0.448 481 E N 5.156 125.421 120.200 0.108 0.000 2.256 481 E HA 0.288 4.638 4.350 0.000 0.000 0.267 481 E C -0.971 175.660 176.600 0.052 0.000 0.892 481 E CA -1.037 55.420 56.400 0.094 0.000 0.775 481 E CB 2.541 32.308 29.700 0.112 0.000 1.207 481 E HN 0.491 nan 8.360 nan 0.000 0.420 482 Q N 1.569 121.248 119.800 -0.202 0.000 2.274 482 Q HA 0.101 4.441 4.340 0.000 0.000 0.280 482 Q C -1.044 174.796 176.000 -0.268 0.000 1.047 482 Q CA -0.039 55.391 55.803 -0.622 0.000 0.907 482 Q CB 0.623 28.721 28.738 -1.066 0.000 1.171 482 Q HN 0.240 nan 8.270 nan 0.000 0.381 483 V N 6.272 126.097 119.914 -0.149 0.000 2.406 483 V HA 0.295 4.415 4.120 0.000 0.000 0.272 483 V C -0.062 175.974 176.094 -0.096 0.000 1.043 483 V CA -0.458 61.802 62.300 -0.067 0.000 0.915 483 V CB 1.047 32.883 31.823 0.022 0.000 0.988 483 V HN 0.809 nan 8.190 nan 0.000 0.466 484 R N 3.065 123.508 120.500 -0.094 0.000 2.280 484 R HA 0.334 4.674 4.340 0.000 0.000 0.326 484 R C -0.772 175.507 176.300 -0.034 0.000 1.080 484 R CA -0.726 55.336 56.100 -0.064 0.000 1.002 484 R CB 0.768 31.025 30.300 -0.072 0.000 1.136 484 R HN 0.598 nan 8.270 nan 0.000 0.509 485 D N 2.350 122.743 120.400 -0.012 0.000 2.390 485 D HA -0.010 4.630 4.640 0.000 0.000 0.249 485 D C 0.335 176.652 176.300 0.028 0.000 1.144 485 D CA 0.172 54.174 54.000 0.003 0.000 0.880 485 D CB 0.967 41.774 40.800 0.012 0.000 1.182 485 D HN 0.478 nan 8.370 nan 0.000 0.451 486 E N 1.349 121.586 120.200 0.061 0.000 2.481 486 E HA 0.012 4.362 4.350 0.000 0.000 0.198 486 E C 1.349 178.094 176.600 0.242 0.000 1.027 486 E CA 0.028 56.506 56.400 0.129 0.000 0.900 486 E CB 0.391 30.180 29.700 0.148 0.000 0.993 486 E HN 0.455 nan 8.360 nan 0.000 0.482 487 T N 1.035 115.679 114.554 0.151 0.000 2.699 487 T HA -0.235 4.115 4.350 0.000 0.000 0.268 487 T C 2.176 176.987 174.700 0.185 0.000 1.036 487 T CA 1.779 63.952 62.100 0.122 0.000 1.147 487 T CB -0.317 68.540 68.868 -0.018 0.000 0.862 487 T HN 0.316 nan 8.240 nan 0.000 0.446 488 S N 0.918 116.685 115.700 0.112 0.000 2.420 488 S HA -0.172 4.298 4.470 0.000 0.000 0.237 488 S C 2.076 176.725 174.600 0.082 0.000 1.023 488 S CA 1.680 59.928 58.200 0.081 0.000 0.991 488 S CB -1.057 62.171 63.200 0.046 0.000 0.792 488 S HN 0.422 nan 8.310 nan 0.000 0.488 489 T N 0.607 115.214 114.554 0.087 0.000 2.962 489 T HA 0.045 4.395 4.350 0.000 0.000 0.270 489 T C -0.269 174.402 174.700 -0.048 0.000 1.088 489 T CA 0.738 62.832 62.100 -0.010 0.000 1.127 489 T CB -0.413 68.419 68.868 -0.059 0.000 0.883 489 T HN 0.574 nan 8.240 nan 0.000 0.493 490 Y N 1.980 122.271 120.300 -0.016 0.000 2.736 490 Y HA 0.373 4.923 4.550 0.000 0.000 0.339 490 Y C 0.210 176.103 175.900 -0.012 0.000 1.301 490 Y CA -1.087 57.003 58.100 -0.016 0.000 1.676 490 Y CB -0.594 37.854 38.460 -0.019 0.000 1.725 490 Y HN -0.148 nan 8.280 nan 0.000 0.466 491 V N 1.756 121.718 119.914 0.079 0.000 2.585 491 V HA 0.231 4.351 4.120 0.000 0.000 0.296 491 V C 1.248 177.375 176.094 0.055 0.000 1.035 491 V CA 1.130 63.463 62.300 0.054 0.000 1.084 491 V CB 0.445 32.281 31.823 0.022 0.000 0.953 491 V HN 0.992 nan 8.190 nan 0.000 0.483 492 G N 3.867 112.696 108.800 0.048 0.000 2.199 492 G HA2 -0.252 3.708 3.960 0.000 0.000 0.254 492 G HA3 -0.252 3.708 3.960 0.000 0.000 0.254 492 G C 0.159 175.085 174.900 0.043 0.000 0.982 492 G CA 0.212 45.336 45.100 0.039 0.000 0.632 492 G HN 0.805 nan 8.290 nan 0.000 0.529 493 L N 1.146 122.405 121.223 0.061 0.000 2.540 493 L HA 0.484 4.824 4.340 0.000 0.000 0.276 493 L C -0.401 176.476 176.870 0.012 0.000 1.212 493 L CA 0.590 55.454 54.840 0.039 0.000 0.893 493 L CB 0.638 42.715 42.059 0.031 0.000 1.138 493 L HN 0.179 nan 8.230 nan 0.000 0.491 494 D N 3.104 123.506 120.400 0.004 0.000 2.365 494 D HA 0.123 4.763 4.640 0.000 0.000 0.235 494 D C 0.077 176.379 176.300 0.004 0.000 1.368 494 D CA -0.427 53.575 54.000 0.004 0.000 1.001 494 D CB 1.048 41.857 40.800 0.014 0.000 1.364 494 D HN 0.540 nan 8.370 nan 0.000 0.577 495 D N 2.049 122.445 120.400 -0.007 0.000 2.265 495 D HA -0.074 4.566 4.640 0.000 0.000 0.208 495 D C 1.969 178.312 176.300 0.073 0.000 0.977 495 D CA 0.937 54.939 54.000 0.005 0.000 0.871 495 D CB 0.073 40.860 40.800 -0.022 0.000 0.925 495 D HN 0.633 nan 8.370 nan 0.000 0.485 496 G N 0.842 109.677 108.800 0.059 0.000 2.501 496 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 496 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 496 G C 1.302 176.236 174.900 0.057 0.000 1.114 496 G CA 0.304 45.441 45.100 0.062 0.000 0.757 496 G HN 0.205 nan 8.290 nan 0.000 0.559 497 E N -0.110 120.119 120.200 0.049 0.000 2.476 497 E HA 0.145 4.495 4.350 0.000 0.000 0.191 497 E C 0.405 177.040 176.600 0.058 0.000 1.064 497 E CA -0.054 56.372 56.400 0.043 0.000 0.866 497 E CB 0.404 30.122 29.700 0.030 0.000 0.952 497 E HN 0.459 nan 8.360 nan 0.000 0.492 498 I N 1.412 122.039 120.570 0.095 0.000 2.359 498 I HA 0.037 4.207 4.170 0.000 0.000 0.294 498 I C 0.844 177.072 176.117 0.184 0.000 0.987 498 I CA -0.710 60.673 61.300 0.138 0.000 1.225 498 I CB 1.484 39.575 38.000 0.151 0.000 1.366 498 I HN -0.209 nan 8.210 nan 0.000 0.466 499 T N 3.693 118.327 114.554 0.133 0.000 2.849 499 T HA -0.019 4.331 4.350 0.000 0.000 0.289 499 T C 1.046 175.768 174.700 0.038 0.000 1.010 499 T CA 0.713 62.861 62.100 0.078 0.000 1.161 499 T CB 0.137 69.034 68.868 0.048 0.000 0.989 499 T HN 1.232 nan 8.240 nan 0.000 0.523 500 S N 1.716 117.366 115.700 -0.083 0.000 2.596 500 S HA -0.194 4.276 4.470 0.000 0.000 0.260 500 S C -0.016 174.307 174.600 -0.461 0.000 1.282 500 S CA 0.997 59.030 58.200 -0.278 0.000 1.357 500 S CB -2.637 60.338 63.200 -0.374 0.000 1.674 500 S HN 0.906 nan 8.310 nan 0.000 0.641 501 Y N 2.784 123.081 120.300 -0.003 0.000 2.480 501 Y HA 0.765 5.315 4.550 0.000 0.000 0.323 501 Y C 1.198 177.095 175.900 -0.006 0.000 1.267 501 Y CA 0.084 58.181 58.100 -0.006 0.000 1.336 501 Y CB 1.339 39.794 38.460 -0.009 0.000 1.361 501 Y HN 0.566 nan 8.280 nan 0.000 0.518 502 S N 0.000 115.756 115.700 0.094 0.000 2.498 502 S HA 0.000 4.470 4.470 0.000 0.000 0.327 502 S CA 0.000 58.259 58.200 0.099 0.000 1.107 502 S CB 0.000 63.247 63.200 0.079 0.000 0.593 502 S HN 0.000 nan 8.310 nan 0.000 0.517