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 1cgz_1_A DATA FIRST_RESID 3 DATA SEQUENCE SVSEIRKAQR AEGPATILAI GTANPANCVE QSTYPDFYFK ITNSEHKTEL DATA SEQUENCE KEKFQRMCDK SMIKRRYMYL TEEILKENPN VCEYMAPSLD ARQDMVVVEV DATA SEQUENCE PRLGKEAAVK AIKEWGQPKS KITHLIVCTT SGVDMPGADY QLTKLLGLRP DATA SEQUENCE YVKRYMMYQQ GCFAGGTVLR LAKDLAENNK GARVLVVCSE VTAVTFRGPS DATA SEQUENCE DTHLDSLVGQ ALFGDGAAAL IVGSDPVPEI EKPIFEMVWT AQTIAPDSEG DATA SEQUENCE AIDGHLREAG LTFHLLKDVP GIVSKNITKA LVEAFEPLGI SDYNSIFWIA DATA SEQUENCE HPGGPAILDQ VEQKLALKPE KMNATREVLS EYGNMSSACV LFILDEMRKK DATA SEQUENCE STQNGLKTTG EGLEWGVLFG FGPGLTIETV VLRSVAI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.602 174.600 0.003 0.000 1.055 3 S CA 0.000 58.201 58.200 0.002 0.000 1.107 3 S CB 0.000 63.201 63.200 0.002 0.000 0.593 4 V N 3.180 123.096 119.914 0.003 0.000 2.719 4 V HA -0.041 4.080 4.120 0.001 0.000 0.252 4 V C 2.587 178.684 176.094 0.005 0.000 1.065 4 V CA 2.162 64.465 62.300 0.004 0.000 1.086 4 V CB -0.393 31.432 31.823 0.005 0.000 0.700 4 V HN 0.707 nan 8.190 nan 0.000 0.467 5 S N 0.154 115.857 115.700 0.005 0.000 2.402 5 S HA -0.223 4.247 4.470 0.001 0.000 0.229 5 S C 1.770 176.373 174.600 0.005 0.000 1.021 5 S CA 1.615 59.818 58.200 0.005 0.000 0.974 5 S CB -0.355 62.848 63.200 0.004 0.000 0.800 5 S HN 0.704 nan 8.310 nan 0.000 0.484 6 E N 0.912 121.115 120.200 0.005 0.000 2.107 6 E HA 0.039 4.389 4.350 0.001 0.000 0.191 6 E C 2.012 178.615 176.600 0.006 0.000 0.982 6 E CA 1.236 57.639 56.400 0.005 0.000 0.809 6 E CB -0.293 29.409 29.700 0.004 0.000 0.756 6 E HN 0.588 nan 8.360 nan 0.000 0.459 7 I N 0.717 121.291 120.570 0.006 0.000 2.226 7 I HA -0.258 3.912 4.170 0.001 0.000 0.245 7 I C 2.605 178.727 176.117 0.009 0.000 1.100 7 I CA 0.889 62.193 61.300 0.007 0.000 1.374 7 I CB -0.106 37.898 38.000 0.007 0.000 1.057 7 I HN -0.011 nan 8.210 nan 0.000 0.413 8 R N 1.662 122.167 120.500 0.009 0.000 2.073 8 R HA -0.225 4.116 4.340 0.001 0.000 0.234 8 R C 2.184 178.490 176.300 0.010 0.000 1.134 8 R CA 1.814 57.920 56.100 0.010 0.000 0.952 8 R CB -0.320 29.985 30.300 0.008 0.000 0.850 8 R HN 0.101 nan 8.270 nan 0.000 0.433 9 K N -0.255 120.150 120.400 0.008 0.000 2.057 9 K HA -0.017 4.304 4.320 0.001 0.000 0.207 9 K C 1.718 178.324 176.600 0.010 0.000 1.049 9 K CA 1.736 58.028 56.287 0.008 0.000 0.931 9 K CB -0.394 32.111 32.500 0.007 0.000 0.714 9 K HN 0.253 nan 8.250 nan 0.000 0.440 10 A N 0.129 122.955 122.820 0.010 0.000 2.067 10 A HA -0.093 4.227 4.320 0.001 0.000 0.217 10 A C 2.032 179.625 177.584 0.015 0.000 1.156 10 A CA 1.248 53.292 52.037 0.011 0.000 0.683 10 A CB -0.377 18.628 19.000 0.010 0.000 0.808 10 A HN 0.542 nan 8.150 nan 0.000 0.455 11 Q N 0.029 119.839 119.800 0.016 0.000 2.302 11 Q HA -0.035 4.305 4.340 0.001 0.000 0.202 11 Q C 0.906 176.920 176.000 0.023 0.000 0.936 11 Q CA 0.055 55.871 55.803 0.022 0.000 0.886 11 Q CB 0.070 28.822 28.738 0.023 0.000 0.986 11 Q HN 0.790 nan 8.270 nan 0.000 0.487 12 R N -0.262 120.248 120.500 0.017 0.000 2.500 12 R HA 0.614 4.955 4.340 0.001 0.000 0.275 12 R C -0.473 175.833 176.300 0.011 0.000 1.051 12 R CA -0.052 56.055 56.100 0.012 0.000 1.088 12 R CB 0.819 31.123 30.300 0.006 0.000 1.063 12 R HN -0.042 nan 8.270 nan 0.000 0.511 13 A N 0.954 123.776 122.820 0.004 0.000 2.280 13 A HA 0.111 4.431 4.320 0.001 0.000 0.268 13 A C 0.594 178.180 177.584 0.004 0.000 1.111 13 A CA -0.193 51.847 52.037 0.005 0.000 0.814 13 A CB 0.646 19.643 19.000 -0.005 0.000 1.093 13 A HN 0.953 nan 8.150 nan 0.000 0.498 14 E N -0.434 119.770 120.200 0.007 0.000 2.110 14 E HA 0.263 4.614 4.350 0.001 0.000 0.194 14 E C 1.135 177.740 176.600 0.008 0.000 0.944 14 E CA 1.020 57.425 56.400 0.009 0.000 0.899 14 E CB -0.713 28.994 29.700 0.011 0.000 0.907 14 E HN 0.795 nan 8.360 nan 0.000 0.473 15 G N 0.980 109.786 108.800 0.009 0.000 2.543 15 G HA2 0.412 4.372 3.960 0.001 0.000 0.290 15 G HA3 0.412 4.372 3.960 0.001 0.000 0.290 15 G C -2.325 172.580 174.900 0.009 0.000 1.310 15 G CA -1.013 44.094 45.100 0.012 0.000 1.025 15 G HN 0.197 nan 8.290 nan 0.000 0.502 16 P HA 0.279 nan 4.420 nan 0.000 0.271 16 P C -0.153 177.148 177.300 0.003 0.000 1.216 16 P CA -0.048 63.061 63.100 0.016 0.000 0.776 16 P CB 0.923 32.644 31.700 0.035 0.000 0.881 17 A N 3.454 126.267 122.820 -0.012 0.000 2.548 17 A HA 0.312 4.633 4.320 0.001 0.000 0.247 17 A C 0.379 177.958 177.584 -0.009 0.000 1.067 17 A CA 0.686 52.705 52.037 -0.030 0.000 0.757 17 A CB -0.742 18.224 19.000 -0.057 0.000 0.996 17 A HN 0.526 nan 8.150 nan 0.000 0.504 18 T N 3.208 117.754 114.554 -0.014 0.000 2.841 18 T HA 0.478 4.828 4.350 0.001 0.000 0.283 18 T C 0.020 174.715 174.700 -0.008 0.000 1.000 18 T CA -0.227 61.877 62.100 0.006 0.000 0.977 18 T CB 0.989 69.861 68.868 0.006 0.000 0.979 18 T HN 0.465 nan 8.240 nan 0.000 0.446 19 I N 3.724 124.313 120.570 0.030 0.000 2.436 19 I HA 0.143 4.313 4.170 0.001 0.000 0.289 19 I C 0.856 176.969 176.117 -0.008 0.000 1.083 19 I CA 0.019 61.329 61.300 0.017 0.000 1.372 19 I CB 0.623 38.688 38.000 0.108 0.000 1.408 19 I HN 0.569 nan 8.210 nan 0.000 0.516 20 L N 6.460 127.650 121.223 -0.055 0.000 2.556 20 L HA 0.467 4.808 4.340 0.001 0.000 0.226 20 L C 0.642 177.509 176.870 -0.004 0.000 1.089 20 L CA 0.080 54.907 54.840 -0.022 0.000 0.864 20 L CB 0.144 42.187 42.059 -0.026 0.000 1.067 20 L HN 0.724 nan 8.230 nan 0.000 0.477 21 A N 0.554 123.343 122.820 -0.052 0.000 2.594 21 A HA 0.746 5.066 4.320 0.001 0.000 0.296 21 A C -1.425 176.128 177.584 -0.053 0.000 1.061 21 A CA -0.337 51.685 52.037 -0.026 0.000 0.689 21 A CB 1.251 20.259 19.000 0.013 0.000 1.280 21 A HN 0.032 nan 8.150 nan 0.000 0.406 22 I N 1.100 121.643 120.570 -0.046 0.000 2.569 22 I HA 0.670 4.840 4.170 0.001 0.000 0.290 22 I C 0.366 176.423 176.117 -0.101 0.000 1.088 22 I CA -0.573 60.683 61.300 -0.074 0.000 1.047 22 I CB 2.625 40.594 38.000 -0.052 0.000 1.237 22 I HN 0.860 nan 8.210 nan 0.000 0.421 23 G N 2.717 111.433 108.800 -0.140 0.000 2.620 23 G HA2 0.768 4.729 3.960 0.001 0.000 0.301 23 G HA3 0.768 4.729 3.960 0.001 0.000 0.301 23 G C -0.903 173.839 174.900 -0.263 0.000 1.347 23 G CA -0.492 44.512 45.100 -0.160 0.000 0.971 23 G HN 0.597 nan 8.290 nan 0.000 0.488 24 T N -2.012 112.344 114.554 -0.329 0.000 2.887 24 T HA 0.912 5.262 4.350 0.001 0.000 0.292 24 T C -0.395 174.151 174.700 -0.257 0.000 1.087 24 T CA -0.400 61.397 62.100 -0.506 0.000 1.009 24 T CB 2.116 70.265 68.868 -1.199 0.000 1.203 24 T HN 2.033 nan 8.240 nan 0.000 0.518 25 A N 1.108 123.844 122.820 -0.141 0.000 2.605 25 A HA 0.803 5.123 4.320 0.001 0.000 0.294 25 A C -1.569 176.060 177.584 0.075 0.000 1.062 25 A CA -1.075 50.947 52.037 -0.024 0.000 0.682 25 A CB 1.243 20.230 19.000 -0.022 0.000 1.278 25 A HN 0.917 nan 8.150 nan 0.000 0.410 26 N N 0.507 119.216 118.700 0.015 0.000 2.329 26 N HA 0.714 5.455 4.740 0.001 0.000 0.282 26 N C -3.152 172.382 175.510 0.041 0.000 1.198 26 N CA -1.319 51.744 53.050 0.023 0.000 0.790 26 N CB 1.920 40.305 38.487 -0.170 0.000 1.579 26 N HN 0.387 nan 8.380 nan 0.000 0.475 27 P HA 0.040 nan 4.420 nan 0.000 0.267 27 P C -0.064 177.342 177.300 0.175 0.000 1.200 27 P CA -0.050 63.151 63.100 0.167 0.000 0.772 27 P CB 0.530 32.365 31.700 0.225 0.000 0.855 28 A N 2.532 125.430 122.820 0.129 0.000 2.121 28 A HA -0.127 4.194 4.320 0.001 0.000 0.218 28 A C 1.132 178.834 177.584 0.196 0.000 1.154 28 A CA 0.832 52.952 52.037 0.137 0.000 0.679 28 A CB -1.034 18.012 19.000 0.078 0.000 0.795 28 A HN 0.627 nan 8.150 nan 0.000 0.458 29 N N 0.108 118.906 118.700 0.164 0.000 2.399 29 N HA 0.144 4.885 4.740 0.001 0.000 0.259 29 N C -0.759 174.788 175.510 0.062 0.000 1.160 29 N CA -0.200 52.900 53.050 0.083 0.000 0.946 29 N CB 0.124 38.620 38.487 0.016 0.000 1.156 29 N HN 0.225 nan 8.380 nan 0.000 0.489 30 C N 4.961 124.255 119.300 -0.010 0.000 2.325 30 C HA 0.520 4.980 4.460 0.001 0.000 0.347 30 C C -0.288 174.560 174.990 -0.238 0.000 1.263 30 C CA -0.546 58.316 59.018 -0.259 0.000 1.806 30 C CB -1.045 26.582 27.740 -0.188 0.000 2.405 30 C HN 0.496 nan 8.230 nan 0.000 0.537 31 V N 7.853 127.584 119.914 -0.306 0.000 2.313 31 V HA 0.284 4.404 4.120 0.001 0.000 0.278 31 V C 0.087 176.056 176.094 -0.209 0.000 1.017 31 V CA -0.319 61.851 62.300 -0.218 0.000 0.823 31 V CB 1.077 32.774 31.823 -0.209 0.000 1.010 31 V HN 0.886 nan 8.190 nan 0.000 0.443 32 E N 3.033 123.159 120.200 -0.123 0.000 2.384 32 E HA 0.069 4.420 4.350 0.001 0.000 0.266 32 E C 0.550 177.132 176.600 -0.029 0.000 1.012 32 E CA -0.167 56.182 56.400 -0.085 0.000 0.901 32 E CB 1.069 30.744 29.700 -0.042 0.000 0.967 32 E HN 0.597 nan 8.360 nan 0.000 0.435 33 Q N 2.123 121.888 119.800 -0.058 0.000 2.187 33 Q HA -0.137 4.203 4.340 0.001 0.000 0.199 33 Q C 1.883 177.906 176.000 0.038 0.000 0.957 33 Q CA 1.755 57.544 55.803 -0.023 0.000 0.857 33 Q CB 0.023 28.709 28.738 -0.086 0.000 0.929 33 Q HN 0.665 nan 8.270 nan 0.000 0.453 34 S N -0.971 114.737 115.700 0.014 0.000 2.370 34 S HA -0.175 4.295 4.470 0.001 0.000 0.226 34 S C 1.836 176.474 174.600 0.064 0.000 1.033 34 S CA 1.600 59.813 58.200 0.021 0.000 1.011 34 S CB -1.014 62.190 63.200 0.006 0.000 0.852 34 S HN 0.544 nan 8.310 nan 0.000 0.457 35 T N -3.175 111.440 114.554 0.101 0.000 3.105 35 T HA 0.268 4.619 4.350 0.001 0.000 0.253 35 T C 1.128 175.976 174.700 0.246 0.000 1.047 35 T CA -0.308 61.877 62.100 0.142 0.000 0.944 35 T CB -0.492 68.443 68.868 0.112 0.000 1.016 35 T HN 0.349 nan 8.240 nan 0.000 0.544 36 Y N 3.174 123.560 120.300 0.143 0.000 2.181 36 Y HA 0.121 4.671 4.550 0.001 0.000 0.288 36 Y C -1.017 175.161 175.900 0.464 0.000 1.146 36 Y CA 0.713 58.979 58.100 0.277 0.000 1.164 36 Y CB -1.053 37.519 38.460 0.187 0.000 0.982 36 Y HN 0.219 nan 8.280 nan 0.000 0.515 37 P HA -0.157 nan 4.420 nan 0.000 0.216 37 P C 1.217 178.762 177.300 0.408 0.000 1.153 37 P CA 2.293 65.698 63.100 0.508 0.000 0.858 37 P CB 0.065 31.922 31.700 0.262 0.000 0.789 38 D N -2.006 118.545 120.400 0.252 0.000 2.097 38 D HA -0.140 4.500 4.640 0.001 0.000 0.197 38 D C 1.665 178.083 176.300 0.196 0.000 0.984 38 D CA 0.926 55.040 54.000 0.190 0.000 0.826 38 D CB -0.873 40.015 40.800 0.147 0.000 0.973 38 D HN 0.082 nan 8.370 nan 0.000 0.460 39 F N 0.071 120.072 119.950 0.085 0.000 2.102 39 F HA -0.226 4.302 4.527 0.000 0.000 0.298 39 F C 2.261 178.066 175.800 0.010 0.000 1.105 39 F CA 1.173 59.199 58.000 0.044 0.000 1.239 39 F CB -0.538 38.496 39.000 0.055 0.000 0.991 39 F HN -0.016 nan 8.300 nan 0.000 0.474 40 Y N -0.447 119.740 120.300 -0.187 0.000 2.242 40 Y HA -0.183 4.368 4.550 0.001 0.000 0.291 40 Y C 1.882 177.589 175.900 -0.321 0.000 1.137 40 Y CA 1.696 59.593 58.100 -0.338 0.000 1.181 40 Y CB -0.844 37.338 38.460 -0.464 0.000 0.989 40 Y HN 0.080 nan 8.280 nan 0.000 0.527 41 F N 0.573 120.378 119.950 -0.242 0.000 2.325 41 F HA -0.062 4.465 4.527 0.001 0.000 0.299 41 F C 2.161 177.797 175.800 -0.273 0.000 1.090 41 F CA 1.399 59.227 58.000 -0.287 0.000 1.392 41 F CB -0.206 38.733 39.000 -0.103 0.000 1.053 41 F HN -0.030 nan 8.300 nan 0.000 0.521 42 K N -0.492 119.828 120.400 -0.133 0.000 2.044 42 K HA -0.086 4.235 4.320 0.001 0.000 0.204 42 K C 1.917 178.350 176.600 -0.278 0.000 1.049 42 K CA 0.988 57.178 56.287 -0.162 0.000 0.945 42 K CB -0.345 32.080 32.500 -0.126 0.000 0.724 42 K HN 0.085 nan 8.250 nan 0.000 0.440 43 I N 1.720 121.994 120.570 -0.494 0.000 2.493 43 I HA -0.179 3.991 4.170 0.001 0.000 0.254 43 I C 1.796 177.727 176.117 -0.309 0.000 1.160 43 I CA 1.481 62.504 61.300 -0.463 0.000 1.445 43 I CB -0.235 37.309 38.000 -0.759 0.000 1.086 43 I HN 0.202 nan 8.210 nan 0.000 0.433 44 T N -2.894 111.419 114.554 -0.402 0.000 3.144 44 T HA 0.138 4.488 4.350 0.001 0.000 0.249 44 T C 0.765 175.314 174.700 -0.251 0.000 1.089 44 T CA 0.140 62.017 62.100 -0.372 0.000 0.989 44 T CB -0.747 67.698 68.868 -0.706 0.000 0.992 44 T HN 0.322 nan 8.240 nan 0.000 0.540 45 N N 0.655 119.248 118.700 -0.179 0.000 2.725 45 N HA -0.142 4.598 4.740 0.001 0.000 0.251 45 N C 0.074 175.594 175.510 0.016 0.000 1.031 45 N CA 0.888 53.901 53.050 -0.062 0.000 0.720 45 N CB -1.583 36.880 38.487 -0.039 0.000 0.930 45 N HN 0.440 nan 8.380 nan 0.000 0.543 46 S N -0.965 114.697 115.700 -0.063 0.000 2.754 46 S HA 0.122 4.592 4.470 0.001 0.000 0.247 46 S C 1.133 175.784 174.600 0.085 0.000 1.031 46 S CA -0.625 57.525 58.200 -0.083 0.000 1.014 46 S CB 0.535 63.503 63.200 -0.387 0.000 0.918 46 S HN 0.306 nan 8.310 nan 0.000 0.519 47 E N 1.670 121.967 120.200 0.162 0.000 2.209 47 E HA -0.201 4.150 4.350 0.001 0.000 0.196 47 E C 1.519 178.188 176.600 0.115 0.000 0.993 47 E CA 1.113 57.600 56.400 0.147 0.000 0.819 47 E CB -0.249 29.518 29.700 0.111 0.000 0.745 47 E HN 0.761 nan 8.360 nan 0.000 0.477 48 H N 0.842 119.943 119.070 0.051 0.000 2.559 48 H HA 0.088 4.645 4.556 0.001 0.000 0.273 48 H C 0.183 175.539 175.328 0.046 0.000 1.000 48 H CA 0.405 56.473 56.048 0.033 0.000 1.195 48 H CB -0.277 29.495 29.762 0.018 0.000 1.368 48 H HN -0.039 nan 8.280 nan 0.000 0.592 49 K N 1.763 121.952 120.400 -0.351 0.000 2.518 49 K HA 0.144 4.464 4.320 0.001 0.000 0.244 49 K C 0.406 176.962 176.600 -0.074 0.000 1.232 49 K CA -0.163 56.014 56.287 -0.185 0.000 1.189 49 K CB 0.630 33.041 32.500 -0.148 0.000 1.737 49 K HN 0.015 nan 8.250 nan 0.000 0.333 50 T N 1.415 115.927 114.554 -0.070 0.000 2.821 50 T HA -0.130 4.220 4.350 0.001 0.000 0.267 50 T C 1.486 176.127 174.700 -0.099 0.000 1.046 50 T CA 1.379 63.426 62.100 -0.088 0.000 1.139 50 T CB 0.079 68.921 68.868 -0.043 0.000 0.871 50 T HN 0.488 nan 8.240 nan 0.000 0.454 51 E N 0.302 120.467 120.200 -0.059 0.000 2.072 51 E HA -0.057 4.294 4.350 0.001 0.000 0.190 51 E C 2.104 178.677 176.600 -0.045 0.000 0.982 51 E CA 0.638 57.011 56.400 -0.045 0.000 0.803 51 E CB -0.170 29.516 29.700 -0.023 0.000 0.755 51 E HN 0.204 nan 8.360 nan 0.000 0.453 52 L N 1.817 123.026 121.223 -0.023 0.000 2.083 52 L HA -0.173 4.168 4.340 0.001 0.000 0.209 52 L C 2.157 178.999 176.870 -0.047 0.000 1.083 52 L CA 1.786 56.657 54.840 0.051 0.000 0.752 52 L CB -0.283 41.865 42.059 0.149 0.000 0.899 52 L HN -0.084 nan 8.230 nan 0.000 0.433 53 K N -0.441 119.697 120.400 -0.437 0.000 2.026 53 K HA -0.213 4.108 4.320 0.001 0.000 0.208 53 K C 1.916 178.301 176.600 -0.358 0.000 1.048 53 K CA 1.909 57.606 56.287 -0.984 0.000 0.929 53 K CB -0.072 31.824 32.500 -1.007 0.000 0.713 53 K HN 0.480 nan 8.250 nan 0.000 0.439 54 E N 0.311 120.393 120.200 -0.196 0.000 2.110 54 E HA -0.186 4.165 4.350 0.001 0.000 0.193 54 E C 1.938 178.516 176.600 -0.037 0.000 0.988 54 E CA 1.277 57.620 56.400 -0.095 0.000 0.804 54 E CB 0.077 29.735 29.700 -0.069 0.000 0.745 54 E HN 0.272 nan 8.360 nan 0.000 0.458 55 K N 0.155 120.555 120.400 -0.000 0.000 2.057 55 K HA -0.144 4.176 4.320 0.001 0.000 0.207 55 K C 1.953 178.622 176.600 0.115 0.000 1.049 55 K CA 1.099 57.417 56.287 0.053 0.000 0.931 55 K CB -0.199 32.349 32.500 0.080 0.000 0.714 55 K HN 0.050 nan 8.250 nan 0.000 0.440 56 F N 2.317 122.264 119.950 -0.006 0.000 2.146 56 F HA -0.189 4.338 4.527 0.001 0.000 0.298 56 F C 2.559 178.372 175.800 0.021 0.000 1.096 56 F CA 1.451 59.486 58.000 0.058 0.000 1.275 56 F CB -0.321 38.817 39.000 0.230 0.000 1.008 56 F HN -0.025 nan 8.300 nan 0.000 0.480 57 Q N 0.737 120.528 119.800 -0.015 0.000 2.096 57 Q HA -0.240 4.101 4.340 0.001 0.000 0.204 57 Q C 2.482 178.411 176.000 -0.119 0.000 0.982 57 Q CA 2.125 57.870 55.803 -0.096 0.000 0.850 57 Q CB -0.492 28.214 28.738 -0.054 0.000 0.901 57 Q HN 0.404 nan 8.270 nan 0.000 0.422 58 R N -0.700 119.754 120.500 -0.076 0.000 2.081 58 R HA -0.129 4.211 4.340 0.001 0.000 0.235 58 R C 2.210 178.454 176.300 -0.093 0.000 1.131 58 R CA 1.774 57.834 56.100 -0.067 0.000 0.960 58 R CB -0.224 30.055 30.300 -0.035 0.000 0.856 58 R HN 0.398 nan 8.270 nan 0.000 0.436 59 M N -0.313 119.220 119.600 -0.112 0.000 2.108 59 M HA -0.236 4.244 4.480 0.001 0.000 0.261 59 M C 2.570 178.736 176.300 -0.222 0.000 1.066 59 M CA 1.585 56.801 55.300 -0.139 0.000 1.107 59 M CB -0.288 32.242 32.600 -0.118 0.000 1.356 59 M HN 0.316 nan 8.290 nan 0.000 0.406 60 C N 0.502 119.586 119.300 -0.360 0.000 2.446 60 C HA -0.118 4.342 4.460 0.001 0.000 0.277 60 C C 2.196 177.084 174.990 -0.169 0.000 1.275 60 C CA 0.712 59.543 59.018 -0.312 0.000 1.727 60 C CB -1.019 26.502 27.740 -0.364 0.000 2.010 60 C HN 0.534 nan 8.230 nan 0.000 0.486 61 D N 0.819 121.138 120.400 -0.135 0.000 2.218 61 D HA -0.098 4.543 4.640 0.001 0.000 0.204 61 D C 1.915 178.171 176.300 -0.073 0.000 0.976 61 D CA 1.126 55.075 54.000 -0.085 0.000 0.853 61 D CB -0.346 40.415 40.800 -0.065 0.000 0.939 61 D HN 0.560 nan 8.370 nan 0.000 0.481 62 K N 0.213 120.567 120.400 -0.077 0.000 2.404 62 K HA 0.061 4.381 4.320 0.001 0.000 0.194 62 K C 1.909 178.473 176.600 -0.060 0.000 1.023 62 K CA 0.128 56.380 56.287 -0.059 0.000 1.094 62 K CB 0.405 32.875 32.500 -0.049 0.000 0.841 62 K HN 0.030 nan 8.250 nan 0.000 0.523 63 S N 0.899 116.551 115.700 -0.081 0.000 2.419 63 S HA -0.129 4.341 4.470 0.001 0.000 0.233 63 S C 1.172 175.738 174.600 -0.057 0.000 1.016 63 S CA 0.598 58.752 58.200 -0.077 0.000 0.974 63 S CB -0.222 62.912 63.200 -0.110 0.000 0.786 63 S HN 0.257 nan 8.310 nan 0.000 0.492 64 M N -0.753 118.815 119.600 -0.054 0.000 2.818 64 M HA -0.114 4.366 4.480 0.001 0.000 0.204 64 M C -0.663 175.610 176.300 -0.045 0.000 0.552 64 M CA 0.554 55.829 55.300 -0.041 0.000 0.687 64 M CB -2.616 29.968 32.600 -0.027 0.000 2.512 64 M HN 0.470 nan 8.290 nan 0.000 0.563 65 I N -0.073 120.459 120.570 -0.063 0.000 2.339 65 I HA 0.169 4.339 4.170 0.001 0.000 0.290 65 I C 1.368 177.432 176.117 -0.088 0.000 0.994 65 I CA -0.390 60.865 61.300 -0.075 0.000 1.191 65 I CB 1.567 39.512 38.000 -0.092 0.000 1.343 65 I HN 0.144 nan 8.210 nan 0.000 0.458 66 K N 5.691 126.036 120.400 -0.092 0.000 2.211 66 K HA 0.166 4.487 4.320 0.001 0.000 0.201 66 K C 0.198 176.719 176.600 -0.132 0.000 1.052 66 K CA 0.617 56.846 56.287 -0.096 0.000 0.973 66 K CB 0.360 32.809 32.500 -0.086 0.000 0.766 66 K HN 0.604 nan 8.250 nan 0.000 0.466 67 R N -0.065 120.329 120.500 -0.177 0.000 2.690 67 R HA 0.456 4.797 4.340 0.001 0.000 0.269 67 R C -1.333 174.784 176.300 -0.304 0.000 1.037 67 R CA -0.979 54.967 56.100 -0.258 0.000 0.877 67 R CB 1.455 31.572 30.300 -0.307 0.000 1.255 67 R HN -0.152 nan 8.270 nan 0.000 0.467 68 R N 0.555 120.828 120.500 -0.378 0.000 2.837 68 R HA 0.429 4.770 4.340 0.001 0.000 0.271 68 R C -1.413 174.588 176.300 -0.497 0.000 0.993 68 R CA -0.925 54.992 56.100 -0.305 0.000 0.931 68 R CB 2.007 32.198 30.300 -0.181 0.000 1.206 68 R HN 0.495 nan 8.270 nan 0.000 0.474 69 Y N 1.403 121.716 120.300 0.021 0.000 2.341 69 Y HA 0.478 5.029 4.550 0.001 0.000 0.337 69 Y C 0.191 176.123 175.900 0.054 0.000 1.014 69 Y CA -0.447 57.681 58.100 0.046 0.000 1.111 69 Y CB 1.560 40.084 38.460 0.106 0.000 1.194 69 Y HN 0.182 nan 8.280 nan 0.000 0.462 70 M N 3.133 122.819 119.600 0.143 0.000 2.327 70 M HA 0.184 4.665 4.480 0.001 0.000 0.298 70 M C -0.002 176.393 176.300 0.159 0.000 1.065 70 M CA -0.873 54.514 55.300 0.144 0.000 0.916 70 M CB 1.904 34.558 32.600 0.090 0.000 1.630 70 M HN 0.832 nan 8.290 nan 0.000 0.442 71 Y N 3.335 123.678 120.300 0.072 0.000 2.181 71 Y HA 0.052 4.603 4.550 0.001 0.000 0.288 71 Y C 0.324 176.240 175.900 0.028 0.000 1.146 71 Y CA 1.370 59.501 58.100 0.052 0.000 1.164 71 Y CB 0.241 38.729 38.460 0.047 0.000 0.982 71 Y HN 0.545 nan 8.280 nan 0.000 0.515 72 L N 2.461 123.740 121.223 0.093 0.000 2.499 72 L HA 0.108 4.449 4.340 0.001 0.000 0.273 72 L C 0.587 177.394 176.870 -0.105 0.000 1.195 72 L CA 0.477 55.282 54.840 -0.058 0.000 0.882 72 L CB 0.296 42.329 42.059 -0.043 0.000 1.133 72 L HN 0.303 nan 8.230 nan 0.000 0.483 73 T N -1.991 112.479 114.554 -0.139 0.000 2.910 73 T HA 0.215 4.565 4.350 0.001 0.000 0.287 73 T C 0.687 175.397 174.700 0.017 0.000 1.050 73 T CA -0.748 61.307 62.100 -0.075 0.000 1.011 73 T CB 1.774 70.579 68.868 -0.105 0.000 1.195 73 T HN 0.674 nan 8.240 nan 0.000 0.540 74 E N 0.143 120.403 120.200 0.099 0.000 2.077 74 E HA -0.231 4.120 4.350 0.001 0.000 0.193 74 E C 1.774 178.418 176.600 0.074 0.000 0.989 74 E CA 1.481 58.007 56.400 0.211 0.000 0.800 74 E CB -0.080 29.801 29.700 0.301 0.000 0.746 74 E HN 0.799 nan 8.360 nan 0.000 0.452 75 E N 0.339 120.555 120.200 0.025 0.000 2.051 75 E HA -0.201 4.149 4.350 0.001 0.000 0.192 75 E C 2.206 178.795 176.600 -0.018 0.000 0.991 75 E CA 1.448 57.849 56.400 0.000 0.000 0.799 75 E CB -0.125 29.566 29.700 -0.014 0.000 0.748 75 E HN 0.393 nan 8.360 nan 0.000 0.449 76 I N 0.961 121.503 120.570 -0.047 0.000 2.226 76 I HA -0.309 3.861 4.170 0.001 0.000 0.245 76 I C 2.456 178.550 176.117 -0.038 0.000 1.100 76 I CA 0.924 62.193 61.300 -0.052 0.000 1.374 76 I CB -0.211 37.728 38.000 -0.101 0.000 1.057 76 I HN 0.193 nan 8.210 nan 0.000 0.413 77 L N 0.933 122.125 121.223 -0.053 0.000 2.083 77 L HA -0.220 4.120 4.340 0.001 0.000 0.209 77 L C 2.730 179.580 176.870 -0.033 0.000 1.083 77 L CA 1.258 56.056 54.840 -0.069 0.000 0.752 77 L CB -0.743 41.251 42.059 -0.108 0.000 0.899 77 L HN 0.326 nan 8.230 nan 0.000 0.433 78 K N 1.219 121.609 120.400 -0.017 0.000 2.097 78 K HA -0.209 4.111 4.320 0.001 0.000 0.206 78 K C 1.362 177.957 176.600 -0.008 0.000 1.049 78 K CA 1.707 57.987 56.287 -0.013 0.000 0.933 78 K CB -0.135 32.363 32.500 -0.004 0.000 0.717 78 K HN 0.436 nan 8.250 nan 0.000 0.442 79 E N 0.423 120.619 120.200 -0.006 0.000 2.511 79 E HA 0.028 4.379 4.350 0.001 0.000 0.196 79 E C -0.133 176.470 176.600 0.005 0.000 1.066 79 E CA 0.068 56.468 56.400 0.000 0.000 0.871 79 E CB 0.128 29.830 29.700 0.002 0.000 0.863 79 E HN 0.311 nan 8.360 nan 0.000 0.520 80 N N 0.972 119.674 118.700 0.004 0.000 2.752 80 N HA 0.083 4.823 4.740 0.001 0.000 0.260 80 N C -2.262 173.257 175.510 0.015 0.000 1.562 80 N CA -0.894 52.164 53.050 0.013 0.000 0.788 80 N CB 1.417 39.917 38.487 0.022 0.000 1.192 80 N HN 0.005 nan 8.380 nan 0.000 0.503 81 P HA -0.163 nan 4.420 nan 0.000 0.219 81 P C 1.027 178.340 177.300 0.021 0.000 1.146 81 P CA 1.369 64.474 63.100 0.009 0.000 0.808 81 P CB 0.250 31.950 31.700 -0.000 0.000 0.779 82 N N 0.362 119.076 118.700 0.024 0.000 2.223 82 N HA -0.101 4.640 4.740 0.001 0.000 0.185 82 N C 1.561 177.099 175.510 0.046 0.000 1.016 82 N CA 1.140 54.206 53.050 0.027 0.000 0.863 82 N CB -1.790 36.710 38.487 0.021 0.000 0.983 82 N HN 0.060 nan 8.380 nan 0.000 0.429 83 V N 0.401 120.358 119.914 0.071 0.000 2.667 83 V HA -0.138 3.982 4.120 0.001 0.000 0.252 83 V C 2.152 178.385 176.094 0.232 0.000 1.065 83 V CA 1.101 63.483 62.300 0.136 0.000 1.083 83 V CB -0.564 31.334 31.823 0.124 0.000 0.692 83 V HN 0.447 nan 8.190 nan 0.000 0.468 84 C N -0.688 118.713 119.300 0.168 0.000 2.539 84 C HA 0.095 4.555 4.460 0.001 0.000 0.268 84 C C 1.266 176.279 174.990 0.038 0.000 1.395 84 C CA -0.558 58.564 59.018 0.174 0.000 1.757 84 C CB -1.020 26.761 27.740 0.068 0.000 1.851 84 C HN 0.516 nan 8.230 nan 0.000 0.545 85 E N -0.315 119.904 120.200 0.031 0.000 2.371 85 E HA 0.027 4.378 4.350 0.001 0.000 0.257 85 E C 0.369 176.984 176.600 0.026 0.000 1.134 85 E CA -0.256 56.154 56.400 0.017 0.000 0.919 85 E CB 0.467 30.182 29.700 0.024 0.000 1.025 85 E HN 0.430 nan 8.360 nan 0.000 0.438 86 Y N 1.248 121.511 120.300 -0.062 0.000 2.200 86 Y HA -0.095 4.455 4.550 0.001 0.000 0.290 86 Y C 0.909 176.783 175.900 -0.043 0.000 1.137 86 Y CA 1.361 59.422 58.100 -0.065 0.000 1.163 86 Y CB 0.348 38.775 38.460 -0.056 0.000 0.988 86 Y HN 0.362 nan 8.280 nan 0.000 0.518 87 M N 0.621 120.136 119.600 -0.141 0.000 2.060 87 M HA 0.578 5.058 4.480 0.001 0.000 0.231 87 M C -1.532 174.733 176.300 -0.059 0.000 0.936 87 M CA -0.359 54.818 55.300 -0.205 0.000 0.981 87 M CB 1.048 33.541 32.600 -0.179 0.000 2.216 87 M HN 0.160 nan 8.290 nan 0.000 0.399 88 A N 3.639 126.429 122.820 -0.049 0.000 2.454 88 A HA 1.038 5.358 4.320 0.001 0.000 0.302 88 A C -2.949 174.627 177.584 -0.013 0.000 1.079 88 A CA -1.680 50.349 52.037 -0.014 0.000 0.731 88 A CB 1.105 20.107 19.000 0.003 0.000 1.299 88 A HN 0.460 nan 8.150 nan 0.000 0.413 89 P HA 0.071 nan 4.420 nan 0.000 0.258 89 P C 0.423 177.726 177.300 0.005 0.000 1.187 89 P CA 0.958 64.057 63.100 -0.001 0.000 0.767 89 P CB 0.552 32.252 31.700 0.001 0.000 0.770 90 S N 1.051 116.755 115.700 0.006 0.000 2.631 90 S HA 0.013 4.483 4.470 0.001 0.000 0.248 90 S C 0.978 175.588 174.600 0.016 0.000 0.949 90 S CA -0.333 57.877 58.200 0.017 0.000 1.470 90 S CB -0.930 62.286 63.200 0.028 0.000 1.248 90 S HN 0.231 nan 8.310 nan 0.000 0.662 91 L N 3.044 124.271 121.223 0.007 0.000 2.046 91 L HA 0.018 4.359 4.340 0.001 0.000 0.208 91 L C 1.656 178.527 176.870 0.001 0.000 1.077 91 L CA 2.311 57.153 54.840 0.003 0.000 0.747 91 L CB -0.688 41.368 42.059 -0.005 0.000 0.896 91 L HN 0.159 nan 8.230 nan 0.000 0.432 92 D N 0.043 120.444 120.400 0.001 0.000 2.104 92 D HA -0.190 4.450 4.640 0.001 0.000 0.194 92 D C 2.234 178.538 176.300 0.008 0.000 0.994 92 D CA 1.678 55.678 54.000 0.001 0.000 0.830 92 D CB -0.418 40.383 40.800 0.001 0.000 0.959 92 D HN 0.503 nan 8.370 nan 0.000 0.452 93 A N 0.973 123.803 122.820 0.017 0.000 1.908 93 A HA -0.223 4.098 4.320 0.001 0.000 0.218 93 A C 2.197 179.800 177.584 0.032 0.000 1.181 93 A CA 1.625 53.678 52.037 0.027 0.000 0.627 93 A CB -0.493 18.527 19.000 0.034 0.000 0.818 93 A HN 0.142 nan 8.150 nan 0.000 0.445 94 R N -0.863 119.654 120.500 0.029 0.000 2.075 94 R HA -0.104 4.237 4.340 0.001 0.000 0.232 94 R C 2.506 178.803 176.300 -0.004 0.000 1.126 94 R CA 1.380 57.497 56.100 0.027 0.000 0.963 94 R CB -0.309 30.011 30.300 0.034 0.000 0.858 94 R HN 0.564 nan 8.270 nan 0.000 0.435 95 Q N 0.727 120.521 119.800 -0.010 0.000 2.096 95 Q HA -0.184 4.156 4.340 0.001 0.000 0.204 95 Q C 1.550 177.535 176.000 -0.024 0.000 0.982 95 Q CA 1.467 57.255 55.803 -0.026 0.000 0.850 95 Q CB -0.222 28.498 28.738 -0.030 0.000 0.901 95 Q HN 0.351 nan 8.270 nan 0.000 0.422 96 D N 0.134 120.530 120.400 -0.007 0.000 2.149 96 D HA -0.136 4.505 4.640 0.001 0.000 0.198 96 D C 1.958 178.255 176.300 -0.006 0.000 0.990 96 D CA 1.134 55.136 54.000 0.002 0.000 0.839 96 D CB -0.145 40.666 40.800 0.019 0.000 0.948 96 D HN 0.263 nan 8.370 nan 0.000 0.460 97 M N 0.008 119.597 119.600 -0.019 0.000 2.077 97 M HA -0.114 4.366 4.480 0.001 0.000 0.261 97 M C 2.341 178.494 176.300 -0.245 0.000 1.070 97 M CA 1.092 56.334 55.300 -0.097 0.000 1.125 97 M CB -0.190 32.362 32.600 -0.081 0.000 1.339 97 M HN -0.004 nan 8.290 nan 0.000 0.409 98 V N -3.490 116.314 119.914 -0.183 0.000 3.129 98 V HA 0.008 4.129 4.120 0.001 0.000 0.259 98 V C 1.916 177.959 176.094 -0.086 0.000 1.116 98 V CA 0.643 62.839 62.300 -0.173 0.000 1.127 98 V CB -0.794 30.963 31.823 -0.111 0.000 0.742 98 V HN 0.270 nan 8.190 nan 0.000 0.474 99 V N 0.130 120.015 119.914 -0.049 0.000 2.809 99 V HA -0.100 4.021 4.120 0.001 0.000 0.256 99 V C 2.491 178.585 176.094 0.000 0.000 1.080 99 V CA 1.821 64.119 62.300 -0.003 0.000 1.102 99 V CB 0.274 32.099 31.823 0.003 0.000 0.705 99 V HN 0.492 nan 8.190 nan 0.000 0.475 100 V N -0.227 119.672 119.914 -0.025 0.000 2.374 100 V HA -0.094 4.026 4.120 0.001 0.000 0.241 100 V C 2.424 178.497 176.094 -0.035 0.000 1.034 100 V CA 1.755 64.046 62.300 -0.014 0.000 1.037 100 V CB -0.298 31.528 31.823 0.004 0.000 0.682 100 V HN 0.554 nan 8.190 nan 0.000 0.463 101 E N 0.406 120.539 120.200 -0.111 0.000 2.152 101 E HA -0.125 4.225 4.350 0.001 0.000 0.192 101 E C 1.960 178.516 176.600 -0.073 0.000 0.983 101 E CA 1.088 57.413 56.400 -0.125 0.000 0.818 101 E CB -0.227 29.242 29.700 -0.385 0.000 0.758 101 E HN 0.313 nan 8.360 nan 0.000 0.467 102 V N 1.687 121.560 119.914 -0.068 0.000 2.237 102 V HA -0.169 3.951 4.120 0.001 0.000 0.245 102 V C -0.816 175.270 176.094 -0.013 0.000 1.046 102 V CA 2.365 64.648 62.300 -0.029 0.000 1.007 102 V CB -1.393 30.427 31.823 -0.006 0.000 0.638 102 V HN 0.339 nan 8.190 nan 0.000 0.445 103 P HA -0.117 nan 4.420 nan 0.000 0.220 103 P C 1.634 178.930 177.300 -0.007 0.000 1.152 103 P CA 1.234 64.330 63.100 -0.007 0.000 0.812 103 P CB -0.136 31.566 31.700 0.003 0.000 0.792 104 R N -0.213 120.287 120.500 -0.000 0.000 2.073 104 R HA -0.125 4.216 4.340 0.001 0.000 0.234 104 R C 2.123 178.430 176.300 0.011 0.000 1.134 104 R CA 1.251 57.357 56.100 0.009 0.000 0.952 104 R CB -0.933 29.383 30.300 0.027 0.000 0.850 104 R HN 0.096 nan 8.270 nan 0.000 0.433 105 L N 0.275 121.507 121.223 0.014 0.000 2.109 105 L HA 0.065 4.406 4.340 0.001 0.000 0.207 105 L C 2.134 179.006 176.870 0.004 0.000 1.086 105 L CA 2.059 56.911 54.840 0.020 0.000 0.760 105 L CB -0.779 41.300 42.059 0.033 0.000 0.910 105 L HN 0.270 nan 8.230 nan 0.000 0.437 106 G N -0.755 108.042 108.800 -0.006 0.000 2.418 106 G HA2 -0.321 3.639 3.960 0.001 0.000 0.217 106 G HA3 -0.321 3.639 3.960 0.001 0.000 0.217 106 G C 1.693 176.577 174.900 -0.027 0.000 1.158 106 G CA 0.836 45.923 45.100 -0.020 0.000 0.771 106 G HN 0.424 nan 8.290 nan 0.000 0.545 107 K N 0.477 120.864 120.400 -0.022 0.000 2.032 107 K HA -0.143 4.178 4.320 0.001 0.000 0.209 107 K C 2.299 178.886 176.600 -0.021 0.000 1.048 107 K CA 1.686 57.958 56.287 -0.024 0.000 0.927 107 K CB -0.254 32.234 32.500 -0.020 0.000 0.712 107 K HN 0.426 nan 8.250 nan 0.000 0.441 108 E N -0.306 119.884 120.200 -0.015 0.000 2.058 108 E HA -0.224 4.126 4.350 0.001 0.000 0.194 108 E C 1.816 178.396 176.600 -0.033 0.000 0.997 108 E CA 1.283 57.673 56.400 -0.017 0.000 0.801 108 E CB -0.133 29.563 29.700 -0.006 0.000 0.746 108 E HN 0.475 nan 8.360 nan 0.000 0.450 109 A N 0.911 123.704 122.820 -0.045 0.000 1.898 109 A HA -0.068 4.252 4.320 0.001 0.000 0.216 109 A C 2.343 179.886 177.584 -0.068 0.000 1.181 109 A CA 1.670 53.661 52.037 -0.077 0.000 0.620 109 A CB -0.655 18.288 19.000 -0.095 0.000 0.819 109 A HN 0.383 nan 8.150 nan 0.000 0.442 110 A N -0.599 122.190 122.820 -0.052 0.000 1.933 110 A HA 0.002 4.323 4.320 0.001 0.000 0.218 110 A C 2.217 179.787 177.584 -0.024 0.000 1.175 110 A CA 1.730 53.740 52.037 -0.045 0.000 0.628 110 A CB -0.891 18.084 19.000 -0.042 0.000 0.814 110 A HN 0.365 nan 8.150 nan 0.000 0.444 111 V N 0.133 120.036 119.914 -0.018 0.000 2.343 111 V HA -0.278 3.843 4.120 0.001 0.000 0.247 111 V C 2.477 178.571 176.094 0.001 0.000 1.051 111 V CA 2.367 64.665 62.300 -0.003 0.000 1.036 111 V CB -0.603 31.216 31.823 -0.007 0.000 0.654 111 V HN 0.553 nan 8.190 nan 0.000 0.451 112 K N 0.012 120.401 120.400 -0.019 0.000 2.057 112 K HA -0.139 4.181 4.320 0.001 0.000 0.207 112 K C 2.287 178.881 176.600 -0.009 0.000 1.049 112 K CA 1.510 57.784 56.287 -0.022 0.000 0.931 112 K CB -0.391 32.079 32.500 -0.050 0.000 0.714 112 K HN 0.482 nan 8.250 nan 0.000 0.440 113 A N 1.311 124.119 122.820 -0.020 0.000 1.898 113 A HA -0.119 4.202 4.320 0.001 0.000 0.216 113 A C 2.096 179.723 177.584 0.071 0.000 1.181 113 A CA 1.188 53.220 52.037 -0.008 0.000 0.620 113 A CB -0.508 18.457 19.000 -0.057 0.000 0.819 113 A HN 0.167 nan 8.150 nan 0.000 0.442 114 I N -0.494 120.130 120.570 0.089 0.000 2.252 114 I HA -0.253 3.917 4.170 0.001 0.000 0.245 114 I C 2.501 178.732 176.117 0.190 0.000 1.102 114 I CA 1.800 63.230 61.300 0.218 0.000 1.385 114 I CB -0.198 37.904 38.000 0.170 0.000 1.064 114 I HN 0.376 nan 8.210 nan 0.000 0.414 115 K N 1.207 121.662 120.400 0.092 0.000 2.057 115 K HA -0.275 4.045 4.320 0.001 0.000 0.207 115 K C 2.128 178.763 176.600 0.059 0.000 1.049 115 K CA 1.882 58.200 56.287 0.052 0.000 0.931 115 K CB -0.122 32.391 32.500 0.022 0.000 0.714 115 K HN 0.305 nan 8.250 nan 0.000 0.440 116 E N -0.387 119.857 120.200 0.073 0.000 2.051 116 E HA -0.238 4.112 4.350 0.001 0.000 0.192 116 E C 1.809 178.491 176.600 0.138 0.000 0.991 116 E CA 1.394 57.837 56.400 0.072 0.000 0.799 116 E CB -0.317 29.413 29.700 0.050 0.000 0.748 116 E HN 0.504 nan 8.360 nan 0.000 0.449 117 W N 0.791 122.071 121.300 -0.034 0.000 2.335 117 W HA -0.144 4.516 4.660 0.001 0.000 0.311 117 W C 1.578 178.081 176.519 -0.026 0.000 1.213 117 W CA 2.939 60.267 57.345 -0.029 0.000 1.274 117 W CB -0.626 28.818 29.460 -0.026 0.000 1.148 117 W HN 0.364 nan 8.180 nan 0.000 0.498 118 G N -0.598 108.177 108.800 -0.041 0.000 2.176 118 G HA2 -0.248 3.713 3.960 0.001 0.000 0.253 118 G HA3 -0.248 3.713 3.960 0.001 0.000 0.253 118 G C 0.381 175.042 174.900 -0.399 0.000 0.979 118 G CA 0.373 45.360 45.100 -0.188 0.000 0.641 118 G HN 0.392 nan 8.290 nan 0.000 0.530 119 Q N 0.306 119.607 119.800 -0.831 0.000 2.193 119 Q HA 0.514 4.854 4.340 0.001 0.000 0.246 119 Q C -2.333 173.313 176.000 -0.591 0.000 0.959 119 Q CA -1.870 53.350 55.803 -0.972 0.000 0.904 119 Q CB 0.684 28.307 28.738 -1.857 0.000 1.238 119 Q HN 0.188 nan 8.270 nan 0.000 0.469 120 P HA -0.032 nan 4.420 nan 0.000 0.265 120 P C 0.378 177.669 177.300 -0.015 0.000 1.193 120 P CA 0.238 63.252 63.100 -0.143 0.000 0.765 120 P CB 0.391 32.033 31.700 -0.096 0.000 0.823 121 K N 1.238 121.676 120.400 0.064 0.000 2.360 121 K HA -0.119 4.201 4.320 0.001 0.000 0.201 121 K C 1.367 178.035 176.600 0.112 0.000 1.046 121 K CA 1.662 58.039 56.287 0.150 0.000 0.945 121 K CB -0.508 32.041 32.500 0.082 0.000 0.750 121 K HN 0.396 nan 8.250 nan 0.000 0.464 122 S N 0.908 116.644 115.700 0.060 0.000 2.507 122 S HA -0.007 4.463 4.470 0.001 0.000 0.235 122 S C 1.415 176.077 174.600 0.103 0.000 0.988 122 S CA 0.333 58.560 58.200 0.045 0.000 0.944 122 S CB -0.028 63.192 63.200 0.034 0.000 0.762 122 S HN 0.267 nan 8.310 nan 0.000 0.526 123 K N 0.758 121.257 120.400 0.166 0.000 2.404 123 K HA 0.323 4.643 4.320 0.001 0.000 0.194 123 K C 0.122 176.907 176.600 0.308 0.000 1.023 123 K CA -0.045 56.387 56.287 0.241 0.000 1.094 123 K CB -0.030 32.618 32.500 0.247 0.000 0.841 123 K HN 0.504 nan 8.250 nan 0.000 0.523 124 I N 2.623 123.339 120.570 0.244 0.000 2.436 124 I HA -0.068 4.102 4.170 0.001 0.000 0.289 124 I C 1.622 177.794 176.117 0.092 0.000 1.083 124 I CA 0.101 61.476 61.300 0.125 0.000 1.372 124 I CB 1.061 39.094 38.000 0.055 0.000 1.408 124 I HN 0.110 nan 8.210 nan 0.000 0.516 125 T N 1.841 116.472 114.554 0.130 0.000 3.040 125 T HA 0.144 4.494 4.350 0.001 0.000 0.252 125 T C 0.702 175.366 174.700 -0.061 0.000 1.064 125 T CA 0.456 62.615 62.100 0.099 0.000 1.110 125 T CB 0.081 69.077 68.868 0.213 0.000 0.921 125 T HN 0.479 nan 8.240 nan 0.000 0.480 126 H N -0.148 118.954 119.070 0.054 0.000 2.851 126 H HA 0.676 5.232 4.556 0.001 0.000 0.372 126 H C -1.756 173.606 175.328 0.057 0.000 1.158 126 H CA -1.024 55.086 56.048 0.103 0.000 1.159 126 H CB 2.551 32.367 29.762 0.090 0.000 1.757 126 H HN 0.098 nan 8.280 nan 0.000 0.546 127 L N 3.312 124.666 121.223 0.218 0.000 2.439 127 L HA 0.470 4.810 4.340 0.001 0.000 0.270 127 L C -1.507 175.470 176.870 0.178 0.000 0.972 127 L CA -0.334 54.574 54.840 0.113 0.000 0.836 127 L CB 1.216 43.295 42.059 0.033 0.000 1.255 127 L HN 0.506 nan 8.230 nan 0.000 0.404 128 I N 5.610 126.230 120.570 0.082 0.000 2.378 128 I HA 0.560 4.731 4.170 0.001 0.000 0.291 128 I C -0.789 175.323 176.117 -0.010 0.000 0.992 128 I CA -0.810 60.529 61.300 0.065 0.000 1.154 128 I CB 1.879 39.867 38.000 -0.021 0.000 1.315 128 I HN 0.294 nan 8.210 nan 0.000 0.448 129 V N 5.579 125.471 119.914 -0.037 0.000 2.604 129 V HA 0.420 4.540 4.120 0.001 0.000 0.305 129 V C -0.731 175.283 176.094 -0.133 0.000 1.043 129 V CA -0.592 61.653 62.300 -0.091 0.000 0.888 129 V CB 1.989 33.744 31.823 -0.113 0.000 0.995 129 V HN 0.879 nan 8.190 nan 0.000 0.429 130 C N 4.029 123.258 119.300 -0.119 0.000 2.431 130 C HA 0.877 5.338 4.460 0.001 0.000 0.321 130 C C -0.193 174.735 174.990 -0.103 0.000 1.202 130 C CA 0.079 59.024 59.018 -0.123 0.000 1.398 130 C CB 0.812 28.493 27.740 -0.099 0.000 2.047 130 C HN 1.077 nan 8.230 nan 0.000 0.465 131 T N 2.616 117.118 114.554 -0.087 0.000 2.889 131 T HA 0.513 4.863 4.350 0.001 0.000 0.315 131 T C 0.382 175.080 174.700 -0.004 0.000 1.291 131 T CA -0.121 61.959 62.100 -0.034 0.000 1.028 131 T CB 1.684 70.564 68.868 0.020 0.000 1.235 131 T HN 0.653 nan 8.240 nan 0.000 0.491 132 T N 1.842 116.368 114.554 -0.047 0.000 3.054 132 T HA 0.247 4.597 4.350 0.001 0.000 0.255 132 T C 0.300 174.980 174.700 -0.033 0.000 1.035 132 T CA -0.135 61.928 62.100 -0.061 0.000 0.941 132 T CB 0.009 68.787 68.868 -0.151 0.000 1.026 132 T HN 0.654 nan 8.240 nan 0.000 0.533 133 S N 1.221 116.918 115.700 -0.005 0.000 2.669 133 S HA 0.696 5.166 4.470 0.001 0.000 0.315 133 S C 0.359 174.964 174.600 0.008 0.000 1.106 133 S CA -0.621 57.572 58.200 -0.012 0.000 1.107 133 S CB 1.125 64.308 63.200 -0.028 0.000 0.990 133 S HN 0.657 nan 8.310 nan 0.000 0.471 134 G N 1.202 109.986 108.800 -0.028 0.000 2.733 134 G HA2 0.178 4.139 3.960 0.001 0.000 0.686 134 G HA3 0.178 4.139 3.960 0.001 0.000 0.686 134 G C -0.580 174.205 174.900 -0.192 0.000 1.373 134 G CA -0.468 44.588 45.100 -0.072 0.000 0.838 134 G HN 2.103 nan 8.290 nan 0.000 0.588 135 V N -2.085 117.617 119.914 -0.353 0.000 3.078 135 V HA 1.011 5.131 4.120 0.001 0.000 0.311 135 V C -0.439 175.417 176.094 -0.397 0.000 1.138 135 V CA -0.100 61.698 62.300 -0.838 0.000 1.007 135 V CB 2.245 33.532 31.823 -0.895 0.000 1.045 135 V HN 1.490 nan 8.190 nan 0.000 0.432 136 D N 1.125 121.341 120.400 -0.307 0.000 2.653 136 D HA 0.605 5.246 4.640 0.001 0.000 0.258 136 D C -1.444 174.865 176.300 0.015 0.000 1.252 136 D CA -0.447 53.509 54.000 -0.073 0.000 0.777 136 D CB 2.203 43.009 40.800 0.011 0.000 1.339 136 D HN 0.823 nan 8.370 nan 0.000 0.422 137 M N 1.899 121.496 119.600 -0.006 0.000 2.263 137 M HA 0.425 4.905 4.480 0.001 0.000 0.295 137 M C -2.255 174.009 176.300 -0.060 0.000 1.028 137 M CA -1.590 53.704 55.300 -0.009 0.000 0.921 137 M CB 1.959 34.546 32.600 -0.023 0.000 1.601 137 M HN 0.240 nan 8.290 nan 0.000 0.440 138 P HA 0.161 nan 4.420 nan 0.000 0.267 138 P C 0.130 177.464 177.300 0.056 0.000 1.201 138 P CA -0.189 62.842 63.100 -0.115 0.000 0.775 138 P CB 0.344 31.782 31.700 -0.438 0.000 0.854 139 G N 0.131 109.014 108.800 0.138 0.000 2.588 139 G HA2 0.355 4.315 3.960 0.001 0.000 0.278 139 G HA3 0.355 4.315 3.960 0.001 0.000 0.278 139 G C 1.006 176.017 174.900 0.186 0.000 1.307 139 G CA -0.133 45.108 45.100 0.235 0.000 1.016 139 G HN 0.534 nan 8.290 nan 0.000 0.503 140 A N -0.467 122.435 122.820 0.136 0.000 2.070 140 A HA -0.057 4.263 4.320 0.001 0.000 0.220 140 A C 1.991 179.577 177.584 0.003 0.000 1.159 140 A CA 2.124 54.196 52.037 0.058 0.000 0.656 140 A CB -0.458 18.551 19.000 0.015 0.000 0.800 140 A HN 0.710 nan 8.150 nan 0.000 0.453 141 D N -1.248 119.138 120.400 -0.023 0.000 2.117 141 D HA -0.241 4.399 4.640 0.001 0.000 0.198 141 D C 1.820 178.129 176.300 0.015 0.000 0.982 141 D CA 1.551 55.536 54.000 -0.024 0.000 0.828 141 D CB -0.832 39.943 40.800 -0.042 0.000 0.967 141 D HN 0.577 nan 8.370 nan 0.000 0.464 142 Y N 1.509 121.787 120.300 -0.037 0.000 2.200 142 Y HA -0.184 4.366 4.550 0.001 0.000 0.290 142 Y C 2.485 178.372 175.900 -0.022 0.000 1.137 142 Y CA 1.815 59.898 58.100 -0.028 0.000 1.163 142 Y CB -0.157 38.294 38.460 -0.015 0.000 0.988 142 Y HN -0.180 nan 8.280 nan 0.000 0.518 143 Q N 0.489 120.310 119.800 0.036 0.000 2.084 143 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 143 Q C 2.442 178.364 176.000 -0.131 0.000 0.978 143 Q CA 1.830 57.600 55.803 -0.054 0.000 0.844 143 Q CB -0.648 28.126 28.738 0.059 0.000 0.898 143 Q HN 0.571 nan 8.270 nan 0.000 0.426 144 L N 0.197 121.365 121.223 -0.091 0.000 2.141 144 L HA -0.135 4.205 4.340 0.001 0.000 0.209 144 L C 2.374 179.169 176.870 -0.125 0.000 1.094 144 L CA 1.088 55.874 54.840 -0.089 0.000 0.763 144 L CB -0.433 41.588 42.059 -0.062 0.000 0.908 144 L HN 0.197 nan 8.230 nan 0.000 0.437 145 T N -0.529 113.923 114.554 -0.171 0.000 2.708 145 T HA -0.255 4.095 4.350 0.001 0.000 0.266 145 T C 1.885 176.447 174.700 -0.231 0.000 1.037 145 T CA 1.674 63.659 62.100 -0.192 0.000 1.146 145 T CB -0.081 68.660 68.868 -0.213 0.000 0.865 145 T HN 0.277 nan 8.240 nan 0.000 0.435 146 K N 0.825 121.018 120.400 -0.345 0.000 2.026 146 K HA -0.009 4.311 4.320 0.001 0.000 0.208 146 K C 2.300 178.803 176.600 -0.162 0.000 1.048 146 K CA 1.138 57.254 56.287 -0.286 0.000 0.929 146 K CB -0.371 31.898 32.500 -0.385 0.000 0.713 146 K HN 0.258 nan 8.250 nan 0.000 0.439 147 L N 0.904 122.046 121.223 -0.135 0.000 2.079 147 L HA -0.182 4.158 4.340 0.001 0.000 0.210 147 L C 2.286 179.117 176.870 -0.065 0.000 1.081 147 L CA 1.106 55.898 54.840 -0.079 0.000 0.752 147 L CB -0.216 41.808 42.059 -0.059 0.000 0.896 147 L HN 0.266 nan 8.230 nan 0.000 0.433 148 L N -0.974 120.206 121.223 -0.073 0.000 2.446 148 L HA 0.153 4.493 4.340 0.001 0.000 0.219 148 L C 1.310 178.146 176.870 -0.056 0.000 1.116 148 L CA 0.460 55.268 54.840 -0.054 0.000 0.844 148 L CB -0.276 41.753 42.059 -0.049 0.000 0.970 148 L HN 0.444 nan 8.230 nan 0.000 0.457 149 G N 1.127 109.880 108.800 -0.078 0.000 2.225 149 G HA2 -0.255 3.705 3.960 0.001 0.000 0.264 149 G HA3 -0.255 3.705 3.960 0.001 0.000 0.264 149 G C 0.184 175.034 174.900 -0.084 0.000 1.060 149 G CA -0.150 44.904 45.100 -0.077 0.000 0.833 149 G HN 0.189 nan 8.290 nan 0.000 0.498 150 L N -0.361 120.800 121.223 -0.103 0.000 2.476 150 L HA 0.371 4.711 4.340 0.001 0.000 0.255 150 L C 1.542 178.299 176.870 -0.187 0.000 1.218 150 L CA -0.794 53.975 54.840 -0.118 0.000 0.819 150 L CB 0.221 42.212 42.059 -0.114 0.000 1.119 150 L HN 0.160 nan 8.230 nan 0.000 0.485 151 R N 1.782 122.114 120.500 -0.280 0.000 2.643 151 R HA 0.071 4.411 4.340 0.001 0.000 0.270 151 R C -1.537 174.465 176.300 -0.497 0.000 1.061 151 R CA -1.371 54.419 56.100 -0.516 0.000 1.107 151 R CB 0.014 29.669 30.300 -1.077 0.000 0.999 151 R HN 0.395 nan 8.270 nan 0.000 0.460 152 P HA -0.106 nan 4.420 nan 0.000 0.223 152 P C 0.454 177.679 177.300 -0.124 0.000 1.151 152 P CA 1.346 64.339 63.100 -0.179 0.000 0.787 152 P CB -0.082 31.594 31.700 -0.040 0.000 0.788 153 Y N -2.078 118.208 120.300 -0.023 0.000 2.495 153 Y HA 0.402 4.953 4.550 0.001 0.000 0.293 153 Y C 0.784 176.649 175.900 -0.059 0.000 1.186 153 Y CA -1.445 56.634 58.100 -0.036 0.000 1.266 153 Y CB -1.236 37.206 38.460 -0.030 0.000 1.101 153 Y HN -0.321 nan 8.280 nan 0.000 0.517 154 V N 2.721 122.535 119.914 -0.167 0.000 2.673 154 V HA -0.003 4.117 4.120 0.001 0.000 0.303 154 V C 0.138 176.184 176.094 -0.080 0.000 1.046 154 V CA -0.477 61.758 62.300 -0.107 0.000 1.126 154 V CB 0.539 32.289 31.823 -0.122 0.000 0.934 154 V HN 0.461 nan 8.190 nan 0.000 0.487 155 K N 7.106 127.427 120.400 -0.130 0.000 2.284 155 K HA 0.415 4.736 4.320 0.001 0.000 0.287 155 K C -0.274 176.275 176.600 -0.085 0.000 1.081 155 K CA -0.135 56.062 56.287 -0.150 0.000 0.910 155 K CB 0.766 33.115 32.500 -0.252 0.000 1.088 155 K HN 0.637 nan 8.250 nan 0.000 0.478 156 R N 2.121 122.489 120.500 -0.220 0.000 2.486 156 R HA 0.323 4.664 4.340 0.001 0.000 0.286 156 R C -0.902 175.072 176.300 -0.543 0.000 0.999 156 R CA -0.658 55.327 56.100 -0.192 0.000 0.993 156 R CB 0.864 31.100 30.300 -0.108 0.000 1.084 156 R HN 0.437 nan 8.270 nan 0.000 0.487 157 Y N 1.742 122.030 120.300 -0.021 0.000 2.402 157 Y HA 0.270 4.821 4.550 0.001 0.000 0.325 157 Y C -0.356 175.498 175.900 -0.078 0.000 1.009 157 Y CA -0.847 57.235 58.100 -0.030 0.000 1.278 157 Y CB 1.546 39.996 38.460 -0.017 0.000 1.105 157 Y HN 0.361 nan 8.280 nan 0.000 0.476 158 M N 5.077 124.649 119.600 -0.046 0.000 2.069 158 M HA 0.474 4.954 4.480 0.001 0.000 0.349 158 M C -1.525 174.668 176.300 -0.178 0.000 1.194 158 M CA -0.558 54.637 55.300 -0.175 0.000 1.081 158 M CB 0.382 32.855 32.600 -0.210 0.000 1.500 158 M HN 0.360 nan 8.290 nan 0.000 0.438 159 M N 6.035 125.515 119.600 -0.201 0.000 2.080 159 M HA 0.308 4.789 4.480 0.001 0.000 0.350 159 M C -1.456 174.763 176.300 -0.135 0.000 1.143 159 M CA -0.264 54.969 55.300 -0.111 0.000 1.064 159 M CB -0.419 32.142 32.600 -0.066 0.000 1.429 159 M HN 0.496 nan 8.290 nan 0.000 0.418 160 Y N 1.132 121.424 120.300 -0.013 0.000 2.457 160 Y HA 0.331 4.882 4.550 0.001 0.000 0.333 160 Y C 1.081 176.959 175.900 -0.037 0.000 1.119 160 Y CA -0.423 57.660 58.100 -0.027 0.000 1.143 160 Y CB 1.219 39.672 38.460 -0.013 0.000 1.230 160 Y HN 0.682 nan 8.280 nan 0.000 0.469 161 Q N 0.663 120.563 119.800 0.166 0.000 2.457 161 Q HA -0.249 4.091 4.340 0.001 0.000 0.283 161 Q C 0.510 176.500 176.000 -0.018 0.000 1.234 161 Q CA 0.926 56.756 55.803 0.045 0.000 0.877 161 Q CB -0.689 28.077 28.738 0.046 0.000 1.250 161 Q HN 0.799 nan 8.270 nan 0.000 0.481 162 Q N -1.248 118.495 119.800 -0.096 0.000 2.204 162 Q HA 0.273 4.613 4.340 0.001 0.000 0.198 162 Q C 1.279 176.984 176.000 -0.492 0.000 0.946 162 Q CA 1.184 56.840 55.803 -0.245 0.000 0.859 162 Q CB 0.378 28.939 28.738 -0.295 0.000 0.946 162 Q HN 0.646 nan 8.270 nan 0.000 0.474 163 G N -0.081 108.474 108.800 -0.408 0.000 2.631 163 G HA2 -0.228 3.732 3.960 0.001 0.000 0.504 163 G HA3 -0.228 3.732 3.960 0.001 0.000 0.504 163 G C 0.472 175.039 174.900 -0.555 0.000 1.306 163 G CA -0.448 44.400 45.100 -0.420 0.000 0.897 163 G HN 0.250 nan 8.290 nan 0.000 0.520 164 C N 0.268 119.333 119.300 -0.392 0.000 2.437 164 C HA 0.110 4.570 4.460 0.001 0.000 0.283 164 C C 2.450 177.148 174.990 -0.487 0.000 1.424 164 C CA 1.679 60.416 59.018 -0.469 0.000 1.782 164 C CB -2.132 25.355 27.740 -0.422 0.000 1.833 164 C HN 0.663 nan 8.230 nan 0.000 0.532 165 F N 0.986 120.818 119.950 -0.196 0.000 2.780 165 F HA 0.404 4.931 4.527 0.001 0.000 0.299 165 F C 1.884 177.599 175.800 -0.142 0.000 1.146 165 F CA 0.382 58.287 58.000 -0.159 0.000 1.428 165 F CB -0.973 37.998 39.000 -0.049 0.000 1.115 165 F HN 0.026 nan 8.300 nan 0.000 0.583 166 A N 1.088 123.707 122.820 -0.335 0.000 2.206 166 A HA 0.275 4.596 4.320 0.001 0.000 0.211 166 A C 2.360 179.883 177.584 -0.101 0.000 1.158 166 A CA 0.767 52.694 52.037 -0.183 0.000 0.761 166 A CB -1.481 17.320 19.000 -0.333 0.000 0.801 166 A HN 0.489 nan 8.150 nan 0.000 0.473 167 G N 0.095 108.829 108.800 -0.108 0.000 2.418 167 G HA2 0.011 3.971 3.960 0.001 0.000 0.217 167 G HA3 0.011 3.971 3.960 0.001 0.000 0.217 167 G C 1.472 176.342 174.900 -0.050 0.000 1.158 167 G CA 1.120 46.180 45.100 -0.066 0.000 0.771 167 G HN 0.588 nan 8.290 nan 0.000 0.545 168 G N 0.452 109.232 108.800 -0.033 0.000 2.421 168 G HA2 -0.156 3.805 3.960 0.001 0.000 0.216 168 G HA3 -0.156 3.805 3.960 0.001 0.000 0.216 168 G C 1.867 176.755 174.900 -0.021 0.000 1.171 168 G CA 1.780 46.860 45.100 -0.034 0.000 0.775 168 G HN 0.376 nan 8.290 nan 0.000 0.543 169 T N 1.315 115.894 114.554 0.042 0.000 2.720 169 T HA -0.178 4.172 4.350 0.001 0.000 0.268 169 T C 2.656 177.336 174.700 -0.033 0.000 1.037 169 T CA 1.918 64.038 62.100 0.032 0.000 1.144 169 T CB -0.561 68.380 68.868 0.123 0.000 0.864 169 T HN 0.371 nan 8.240 nan 0.000 0.444 170 V N 0.138 120.022 119.914 -0.049 0.000 2.515 170 V HA -0.014 4.106 4.120 0.001 0.000 0.250 170 V C 2.251 178.286 176.094 -0.098 0.000 1.058 170 V CA 1.298 63.552 62.300 -0.077 0.000 1.064 170 V CB -1.142 30.635 31.823 -0.076 0.000 0.675 170 V HN 0.419 nan 8.190 nan 0.000 0.461 171 L N -0.025 121.144 121.223 -0.090 0.000 2.072 171 L HA -0.046 4.294 4.340 0.001 0.000 0.205 171 L C 2.990 179.790 176.870 -0.115 0.000 1.079 171 L CA 2.081 56.861 54.840 -0.100 0.000 0.752 171 L CB -0.550 41.453 42.059 -0.092 0.000 0.906 171 L HN 0.311 nan 8.230 nan 0.000 0.436 172 R N 0.250 120.680 120.500 -0.116 0.000 2.096 172 R HA -0.212 4.128 4.340 0.001 0.000 0.235 172 R C 2.273 178.486 176.300 -0.146 0.000 1.127 172 R CA 1.425 57.442 56.100 -0.138 0.000 0.968 172 R CB -0.187 30.032 30.300 -0.135 0.000 0.861 172 R HN 0.199 nan 8.270 nan 0.000 0.440 173 L N 0.493 121.630 121.223 -0.143 0.000 2.023 173 L HA 0.077 4.417 4.340 0.001 0.000 0.205 173 L C 2.270 178.997 176.870 -0.239 0.000 1.073 173 L CA 2.148 56.875 54.840 -0.188 0.000 0.745 173 L CB -0.872 41.077 42.059 -0.184 0.000 0.900 173 L HN 0.217 nan 8.230 nan 0.000 0.435 174 A N -0.364 122.326 122.820 -0.216 0.000 1.940 174 A HA -0.287 4.033 4.320 0.001 0.000 0.219 174 A C 2.445 179.908 177.584 -0.202 0.000 1.176 174 A CA 2.045 53.946 52.037 -0.226 0.000 0.631 174 A CB -0.710 18.184 19.000 -0.175 0.000 0.814 174 A HN 0.556 nan 8.150 nan 0.000 0.446 175 K N -0.500 119.804 120.400 -0.160 0.000 2.032 175 K HA -0.237 4.083 4.320 0.001 0.000 0.209 175 K C 1.322 177.836 176.600 -0.143 0.000 1.048 175 K CA 1.943 58.151 56.287 -0.131 0.000 0.927 175 K CB -0.241 32.191 32.500 -0.114 0.000 0.712 175 K HN 0.394 nan 8.250 nan 0.000 0.441 176 D N 0.680 120.985 120.400 -0.159 0.000 2.149 176 D HA -0.104 4.536 4.640 0.001 0.000 0.201 176 D C 2.053 178.246 176.300 -0.177 0.000 0.972 176 D CA 0.858 54.771 54.000 -0.145 0.000 0.835 176 D CB -0.095 40.626 40.800 -0.132 0.000 0.966 176 D HN 0.243 nan 8.370 nan 0.000 0.476 177 L N 0.718 121.782 121.223 -0.266 0.000 2.017 177 L HA -0.162 4.179 4.340 0.001 0.000 0.208 177 L C 2.571 179.222 176.870 -0.365 0.000 1.073 177 L CA 1.315 55.923 54.840 -0.386 0.000 0.745 177 L CB -0.546 41.154 42.059 -0.598 0.000 0.894 177 L HN -0.020 nan 8.230 nan 0.000 0.432 178 A N -0.015 122.634 122.820 -0.285 0.000 1.873 178 A HA -0.196 4.124 4.320 0.001 0.000 0.215 178 A C 2.161 179.674 177.584 -0.119 0.000 1.186 178 A CA 1.583 53.502 52.037 -0.195 0.000 0.616 178 A CB -0.427 18.482 19.000 -0.151 0.000 0.823 178 A HN 0.449 nan 8.150 nan 0.000 0.442 179 E N -0.802 119.336 120.200 -0.102 0.000 2.208 179 E HA -0.138 4.213 4.350 0.001 0.000 0.193 179 E C 1.340 177.911 176.600 -0.049 0.000 0.988 179 E CA 0.980 57.343 56.400 -0.061 0.000 0.828 179 E CB -0.107 29.560 29.700 -0.055 0.000 0.763 179 E HN 0.588 nan 8.360 nan 0.000 0.478 180 N N 0.464 119.127 118.700 -0.061 0.000 2.336 180 N HA -0.003 4.737 4.740 0.001 0.000 0.189 180 N C -0.822 174.680 175.510 -0.013 0.000 1.113 180 N CA 0.160 53.191 53.050 -0.033 0.000 0.858 180 N CB 0.474 38.942 38.487 -0.032 0.000 0.970 180 N HN -0.047 nan 8.380 nan 0.000 0.471 181 N N 0.872 119.559 118.700 -0.021 0.000 2.576 181 N HA 0.029 4.769 4.740 0.001 0.000 0.269 181 N C -1.328 174.198 175.510 0.028 0.000 1.058 181 N CA -0.381 52.682 53.050 0.022 0.000 0.860 181 N CB 1.666 40.187 38.487 0.056 0.000 1.249 181 N HN 0.142 nan 8.380 nan 0.000 0.525 182 K N 0.696 121.116 120.400 0.034 0.000 2.472 182 K HA 0.080 4.400 4.320 0.001 0.000 0.280 182 K C 1.027 177.660 176.600 0.055 0.000 1.028 182 K CA 1.259 57.567 56.287 0.035 0.000 1.045 182 K CB 0.118 32.636 32.500 0.031 0.000 0.902 182 K HN 0.754 nan 8.250 nan 0.000 0.478 183 G N 2.179 111.013 108.800 0.056 0.000 2.225 183 G HA2 -0.324 3.636 3.960 0.001 0.000 0.254 183 G HA3 -0.324 3.636 3.960 0.001 0.000 0.254 183 G C 0.202 175.164 174.900 0.104 0.000 0.988 183 G CA 0.180 45.328 45.100 0.080 0.000 0.625 183 G HN 0.976 nan 8.290 nan 0.000 0.527 184 A N 0.458 123.332 122.820 0.090 0.000 2.498 184 A HA 0.591 4.912 4.320 0.001 0.000 0.239 184 A C 0.666 178.288 177.584 0.063 0.000 1.068 184 A CA 0.551 52.657 52.037 0.116 0.000 0.766 184 A CB 0.239 19.246 19.000 0.012 0.000 1.003 184 A HN 0.428 nan 8.150 nan 0.000 0.497 185 R N 1.956 122.510 120.500 0.091 0.000 2.483 185 R HA 0.410 4.751 4.340 0.001 0.000 0.303 185 R C -1.640 174.620 176.300 -0.068 0.000 0.987 185 R CA -0.536 55.544 56.100 -0.035 0.000 0.881 185 R CB 1.484 31.778 30.300 -0.009 0.000 1.177 185 R HN 0.443 nan 8.270 nan 0.000 0.451 186 V N 4.575 124.396 119.914 -0.154 0.000 2.350 186 V HA 0.279 4.399 4.120 0.001 0.000 0.276 186 V C 0.116 176.103 176.094 -0.178 0.000 1.028 186 V CA -0.937 61.296 62.300 -0.112 0.000 0.860 186 V CB 1.463 33.193 31.823 -0.155 0.000 0.990 186 V HN 0.477 nan 8.190 nan 0.000 0.453 187 L N 7.302 128.447 121.223 -0.130 0.000 2.290 187 L HA 0.539 4.880 4.340 0.001 0.000 0.284 187 L C -0.258 176.555 176.870 -0.096 0.000 1.078 187 L CA 0.503 55.258 54.840 -0.143 0.000 0.815 187 L CB 1.268 43.263 42.059 -0.107 0.000 1.162 187 L HN 0.453 nan 8.230 nan 0.000 0.435 188 V N 6.082 125.930 119.914 -0.110 0.000 2.448 188 V HA 0.551 4.671 4.120 0.001 0.000 0.295 188 V C -0.522 175.524 176.094 -0.081 0.000 1.025 188 V CA -0.638 61.608 62.300 -0.089 0.000 0.859 188 V CB 1.758 33.520 31.823 -0.101 0.000 0.988 188 V HN 0.522 nan 8.190 nan 0.000 0.431 189 V N 3.910 123.783 119.914 -0.068 0.000 2.482 189 V HA 0.383 4.503 4.120 0.001 0.000 0.295 189 V C -0.339 175.721 176.094 -0.058 0.000 1.026 189 V CA -0.431 61.831 62.300 -0.063 0.000 0.856 189 V CB 1.781 33.570 31.823 -0.058 0.000 1.001 189 V HN 0.967 nan 8.190 nan 0.000 0.424 190 C N 3.415 122.688 119.300 -0.046 0.000 2.329 190 C HA 0.808 5.268 4.460 0.001 0.000 0.329 190 C C 0.548 175.529 174.990 -0.015 0.000 1.275 190 C CA -0.311 58.683 59.018 -0.039 0.000 1.726 190 C CB 0.989 28.711 27.740 -0.030 0.000 2.291 190 C HN 0.877 nan 8.230 nan 0.000 0.514 191 S N 2.688 118.374 115.700 -0.024 0.000 2.668 191 S HA 0.536 5.006 4.470 0.001 0.000 0.277 191 S C -1.502 173.087 174.600 -0.018 0.000 1.170 191 S CA -0.343 57.854 58.200 -0.005 0.000 0.994 191 S CB 0.633 63.827 63.200 -0.010 0.000 1.051 191 S HN 0.761 nan 8.310 nan 0.000 0.484 192 E N 2.669 122.862 120.200 -0.012 0.000 2.256 192 E HA 0.546 4.897 4.350 0.001 0.000 0.268 192 E C -1.344 175.245 176.600 -0.018 0.000 0.877 192 E CA -0.621 55.757 56.400 -0.038 0.000 0.757 192 E CB 2.135 31.793 29.700 -0.070 0.000 1.183 192 E HN 0.429 nan 8.360 nan 0.000 0.418 193 V N 1.938 121.837 119.914 -0.026 0.000 2.569 193 V HA 0.175 4.295 4.120 0.001 0.000 0.301 193 V C 1.066 177.171 176.094 0.018 0.000 1.044 193 V CA -0.639 61.660 62.300 -0.002 0.000 0.874 193 V CB 1.833 33.616 31.823 -0.067 0.000 1.002 193 V HN 0.848 nan 8.190 nan 0.000 0.424 194 T N 0.447 115.051 114.554 0.083 0.000 3.160 194 T HA 0.029 4.380 4.350 0.001 0.000 0.257 194 T C 1.699 176.511 174.700 0.187 0.000 1.147 194 T CA 0.779 62.962 62.100 0.138 0.000 1.064 194 T CB 0.131 69.130 68.868 0.218 0.000 0.949 194 T HN 0.790 nan 8.240 nan 0.000 0.526 195 A N 1.021 123.925 122.820 0.141 0.000 1.986 195 A HA -0.005 4.316 4.320 0.001 0.000 0.220 195 A C 2.452 180.117 177.584 0.134 0.000 1.171 195 A CA 1.493 53.621 52.037 0.150 0.000 0.640 195 A CB -1.027 18.021 19.000 0.081 0.000 0.811 195 A HN 0.473 nan 8.150 nan 0.000 0.451 196 V N 0.188 120.151 119.914 0.083 0.000 2.871 196 V HA -0.094 4.027 4.120 0.001 0.000 0.256 196 V C 2.472 178.622 176.094 0.093 0.000 1.082 196 V CA 2.473 64.812 62.300 0.064 0.000 1.105 196 V CB -0.375 31.457 31.823 0.016 0.000 0.713 196 V HN 0.842 nan 8.190 nan 0.000 0.473 197 T N -3.362 111.274 114.554 0.137 0.000 3.015 197 T HA 0.144 4.495 4.350 0.001 0.000 0.250 197 T C 0.628 175.445 174.700 0.194 0.000 1.057 197 T CA -0.220 61.971 62.100 0.153 0.000 1.066 197 T CB -0.345 68.634 68.868 0.186 0.000 0.959 197 T HN 0.255 nan 8.240 nan 0.000 0.488 198 F N 4.904 124.932 119.950 0.129 0.000 2.608 198 F HA 0.350 4.877 4.527 0.001 0.000 0.380 198 F C 0.654 176.527 175.800 0.122 0.000 1.083 198 F CA -0.576 57.521 58.000 0.162 0.000 1.266 198 F CB 0.399 39.514 39.000 0.192 0.000 1.076 198 F HN 0.329 nan 8.300 nan 0.000 0.574 199 R N 3.956 124.231 120.500 -0.374 0.000 2.716 199 R HA 0.645 4.986 4.340 0.001 0.000 0.271 199 R C -0.586 175.541 176.300 -0.289 0.000 1.028 199 R CA -0.922 55.077 56.100 -0.169 0.000 0.883 199 R CB 0.434 30.669 30.300 -0.107 0.000 1.250 199 R HN 0.782 nan 8.270 nan 0.000 0.465 200 G N 0.835 109.548 108.800 -0.145 0.000 2.634 200 G HA2 0.446 4.406 3.960 0.001 0.000 0.255 200 G HA3 0.446 4.406 3.960 0.001 0.000 0.255 200 G C -2.269 172.599 174.900 -0.054 0.000 1.205 200 G CA -1.187 43.766 45.100 -0.247 0.000 0.884 200 G HN 0.498 nan 8.290 nan 0.000 0.549 201 P HA 0.323 nan 4.420 nan 0.000 0.282 201 P C -0.781 176.420 177.300 -0.164 0.000 1.249 201 P CA -0.320 62.674 63.100 -0.176 0.000 0.806 201 P CB 1.901 33.360 31.700 -0.402 0.000 0.984 202 S N 0.764 116.341 115.700 -0.205 0.000 2.575 202 S HA 0.319 4.790 4.470 0.001 0.000 0.278 202 S C 0.466 174.979 174.600 -0.145 0.000 1.139 202 S CA -0.621 57.428 58.200 -0.252 0.000 0.954 202 S CB 0.625 63.472 63.200 -0.587 0.000 1.054 202 S HN 0.439 nan 8.310 nan 0.000 0.483 203 D N 2.647 122.987 120.400 -0.099 0.000 2.371 203 D HA -0.050 4.590 4.640 0.001 0.000 0.221 203 D C 1.347 177.576 176.300 -0.119 0.000 0.986 203 D CA 1.160 55.118 54.000 -0.069 0.000 0.899 203 D CB -0.402 40.374 40.800 -0.039 0.000 0.902 203 D HN 0.532 nan 8.370 nan 0.000 0.530 204 T N -3.924 110.493 114.554 -0.227 0.000 3.105 204 T HA 0.162 4.513 4.350 0.001 0.000 0.253 204 T C -0.025 174.338 174.700 -0.563 0.000 1.047 204 T CA -0.399 61.482 62.100 -0.365 0.000 0.944 204 T CB -0.563 68.060 68.868 -0.408 0.000 1.016 204 T HN 0.228 nan 8.240 nan 0.000 0.544 205 H N 0.504 119.487 119.070 -0.144 0.000 2.535 205 H HA 0.476 5.032 4.556 0.001 0.000 0.232 205 H C 1.019 176.332 175.328 -0.024 0.000 1.405 205 H CA -0.504 55.490 56.048 -0.090 0.000 1.224 205 H CB 0.177 29.819 29.762 -0.199 0.000 1.763 205 H HN 0.080 nan 8.280 nan 0.000 0.529 206 L N 0.540 121.801 121.223 0.063 0.000 2.131 206 L HA -0.197 4.144 4.340 0.001 0.000 0.210 206 L C 2.054 178.993 176.870 0.114 0.000 1.092 206 L CA 1.343 56.233 54.840 0.082 0.000 0.759 206 L CB -0.159 41.932 42.059 0.055 0.000 0.903 206 L HN 0.603 nan 8.230 nan 0.000 0.435 207 D N -0.846 119.619 120.400 0.109 0.000 2.123 207 D HA -0.238 4.403 4.640 0.001 0.000 0.196 207 D C 2.162 178.563 176.300 0.169 0.000 0.992 207 D CA 1.625 55.684 54.000 0.098 0.000 0.833 207 D CB -0.494 40.325 40.800 0.032 0.000 0.954 207 D HN 0.206 nan 8.370 nan 0.000 0.455 208 S N -0.305 115.523 115.700 0.213 0.000 2.370 208 S HA -0.163 4.307 4.470 0.001 0.000 0.226 208 S C 1.983 176.734 174.600 0.252 0.000 1.033 208 S CA 0.927 59.310 58.200 0.305 0.000 1.011 208 S CB -0.566 62.849 63.200 0.359 0.000 0.852 208 S HN 0.240 nan 8.310 nan 0.000 0.457 209 L N 1.743 123.071 121.223 0.175 0.000 2.079 209 L HA -0.021 4.319 4.340 0.001 0.000 0.210 209 L C 2.361 179.320 176.870 0.148 0.000 1.081 209 L CA 1.510 56.419 54.840 0.116 0.000 0.752 209 L CB -0.770 41.372 42.059 0.139 0.000 0.896 209 L HN 0.242 nan 8.230 nan 0.000 0.433 210 V N -0.073 119.935 119.914 0.156 0.000 2.324 210 V HA -0.307 3.814 4.120 0.001 0.000 0.250 210 V C 2.585 178.589 176.094 -0.151 0.000 1.060 210 V CA 1.946 64.296 62.300 0.082 0.000 1.042 210 V CB -1.601 30.314 31.823 0.153 0.000 0.650 210 V HN 0.654 nan 8.190 nan 0.000 0.450 211 G N -0.943 107.693 108.800 -0.274 0.000 2.450 211 G HA2 -0.243 3.717 3.960 0.001 0.000 0.220 211 G HA3 -0.243 3.717 3.960 0.001 0.000 0.220 211 G C 1.415 175.867 174.900 -0.747 0.000 1.130 211 G CA 0.551 44.925 45.100 -1.209 0.000 0.760 211 G HN 0.510 nan 8.290 nan 0.000 0.557 212 Q N 0.346 119.984 119.800 -0.271 0.000 2.297 212 Q HA 0.111 4.451 4.340 0.001 0.000 0.204 212 Q C 2.689 178.731 176.000 0.071 0.000 0.962 212 Q CA 1.108 56.822 55.803 -0.149 0.000 0.879 212 Q CB -0.363 28.131 28.738 -0.407 0.000 0.947 212 Q HN 0.503 nan 8.270 nan 0.000 0.462 213 A N -0.051 122.815 122.820 0.077 0.000 2.021 213 A HA 0.075 4.395 4.320 0.001 0.000 0.216 213 A C 1.961 179.448 177.584 -0.162 0.000 1.163 213 A CA 0.510 52.510 52.037 -0.062 0.000 0.676 213 A CB -0.036 18.853 19.000 -0.185 0.000 0.818 213 A HN 0.270 nan 8.150 nan 0.000 0.453 214 L N -1.843 119.232 121.223 -0.248 0.000 2.500 214 L HA 0.278 4.618 4.340 0.001 0.000 0.219 214 L C -0.168 176.694 176.870 -0.014 0.000 1.057 214 L CA -0.319 54.411 54.840 -0.183 0.000 0.854 214 L CB -0.098 41.817 42.059 -0.240 0.000 1.078 214 L HN 0.157 nan 8.230 nan 0.000 0.480 215 F N 1.230 121.120 119.950 -0.101 0.000 2.443 215 F HA 0.509 5.036 4.527 0.001 0.000 0.353 215 F C 0.946 176.714 175.800 -0.054 0.000 1.101 215 F CA -1.108 56.841 58.000 -0.085 0.000 1.226 215 F CB 0.283 39.216 39.000 -0.112 0.000 1.140 215 F HN -0.180 nan 8.300 nan 0.000 0.557 216 G N 1.647 110.544 108.800 0.160 0.000 2.733 216 G HA2 0.550 4.510 3.960 0.001 0.000 0.288 216 G HA3 0.550 4.510 3.960 0.001 0.000 0.288 216 G C -1.722 173.223 174.900 0.075 0.000 1.373 216 G CA -0.802 44.352 45.100 0.091 0.000 0.895 216 G HN 0.368 nan 8.290 nan 0.000 0.479 217 D N -0.960 119.506 120.400 0.109 0.000 2.228 217 D HA 0.739 5.380 4.640 0.001 0.000 0.247 217 D C 0.423 176.770 176.300 0.079 0.000 0.995 217 D CA 0.291 54.349 54.000 0.096 0.000 0.903 217 D CB 1.853 42.740 40.800 0.145 0.000 1.205 217 D HN 0.841 nan 8.370 nan 0.000 0.459 218 G N -1.125 107.704 108.800 0.048 0.000 2.355 218 G HA2 0.616 4.576 3.960 0.001 0.000 0.296 218 G HA3 0.616 4.576 3.960 0.001 0.000 0.296 218 G C -1.943 173.045 174.900 0.147 0.000 1.507 218 G CA -0.345 44.810 45.100 0.091 0.000 0.823 218 G HN 0.583 nan 8.290 nan 0.000 0.569 219 A N -0.923 122.041 122.820 0.239 0.000 2.498 219 A HA 1.094 5.415 4.320 0.001 0.000 0.298 219 A C -0.187 177.454 177.584 0.095 0.000 1.075 219 A CA 0.091 52.218 52.037 0.150 0.000 0.714 219 A CB 1.758 20.783 19.000 0.043 0.000 1.299 219 A HN 2.513 nan 8.150 nan 0.000 0.407 220 A N 0.170 122.994 122.820 0.007 0.000 2.449 220 A HA 0.920 5.240 4.320 0.001 0.000 0.302 220 A C -0.368 177.150 177.584 -0.111 0.000 1.048 220 A CA 0.067 52.004 52.037 -0.166 0.000 0.708 220 A CB 1.441 20.339 19.000 -0.170 0.000 1.274 220 A HN 2.469 nan 8.150 nan 0.000 0.410 221 A N 1.556 124.292 122.820 -0.141 0.000 2.401 221 A HA 0.862 5.182 4.320 0.001 0.000 0.310 221 A C -0.975 176.540 177.584 -0.115 0.000 1.075 221 A CA -0.458 51.513 52.037 -0.109 0.000 0.746 221 A CB 0.964 19.906 19.000 -0.097 0.000 1.277 221 A HN 0.923 nan 8.150 nan 0.000 0.425 222 L N 1.704 122.857 121.223 -0.116 0.000 2.333 222 L HA 0.612 4.953 4.340 0.001 0.000 0.263 222 L C -0.965 175.792 176.870 -0.188 0.000 1.014 222 L CA -0.912 53.852 54.840 -0.127 0.000 0.820 222 L CB 1.850 43.843 42.059 -0.109 0.000 1.352 222 L HN 0.456 nan 8.230 nan 0.000 0.421 223 I N 2.219 122.641 120.570 -0.245 0.000 2.378 223 I HA 0.461 4.631 4.170 0.001 0.000 0.291 223 I C -0.325 175.601 176.117 -0.318 0.000 0.992 223 I CA -0.505 60.541 61.300 -0.424 0.000 1.154 223 I CB 1.908 39.428 38.000 -0.800 0.000 1.315 223 I HN 0.186 nan 8.210 nan 0.000 0.448 224 V N 4.884 124.631 119.914 -0.278 0.000 2.604 224 V HA 0.941 5.061 4.120 0.001 0.000 0.305 224 V C 0.257 176.244 176.094 -0.179 0.000 1.043 224 V CA -0.440 61.749 62.300 -0.184 0.000 0.888 224 V CB 2.024 33.757 31.823 -0.150 0.000 0.995 224 V HN 0.967 nan 8.190 nan 0.000 0.429 225 G N 1.946 110.678 108.800 -0.114 0.000 2.703 225 G HA2 0.571 4.531 3.960 0.001 0.000 0.294 225 G HA3 0.571 4.531 3.960 0.001 0.000 0.294 225 G C -1.115 173.765 174.900 -0.034 0.000 1.451 225 G CA -0.447 44.611 45.100 -0.070 0.000 0.869 225 G HN 0.589 nan 8.290 nan 0.000 0.516 226 S N 0.245 115.930 115.700 -0.024 0.000 2.672 226 S HA 0.543 5.013 4.470 0.001 0.000 0.276 226 S C -0.429 174.180 174.600 0.015 0.000 1.207 226 S CA -0.356 57.840 58.200 -0.007 0.000 1.002 226 S CB 0.977 64.169 63.200 -0.013 0.000 0.998 226 S HN 0.711 nan 8.310 nan 0.000 0.542 227 D N 1.375 121.785 120.400 0.017 0.000 2.812 227 D HA -0.091 4.550 4.640 0.001 0.000 0.237 227 D C -2.481 173.842 176.300 0.038 0.000 1.162 227 D CA 0.177 54.192 54.000 0.025 0.000 0.740 227 D CB -1.392 39.422 40.800 0.025 0.000 1.000 227 D HN 0.274 nan 8.370 nan 0.000 0.416 228 P HA 0.056 nan 4.420 nan 0.000 0.268 228 P C 0.200 177.527 177.300 0.045 0.000 1.205 228 P CA -0.328 62.806 63.100 0.057 0.000 0.771 228 P CB 0.840 32.567 31.700 0.045 0.000 0.858 229 V N 5.927 125.872 119.914 0.052 0.000 2.405 229 V HA 0.127 4.247 4.120 0.001 0.000 0.264 229 V C -1.836 174.266 176.094 0.014 0.000 1.048 229 V CA -1.604 60.712 62.300 0.027 0.000 0.966 229 V CB 0.204 32.039 31.823 0.020 0.000 1.015 229 V HN 0.540 nan 8.190 nan 0.000 0.477 230 P HA 0.043 nan 4.420 nan 0.000 0.261 230 P C 0.419 177.714 177.300 -0.007 0.000 1.183 230 P CA 0.403 63.502 63.100 -0.000 0.000 0.761 230 P CB 0.124 31.823 31.700 -0.003 0.000 0.785 231 E N 1.057 121.252 120.200 -0.010 0.000 2.883 231 E HA -0.238 4.112 4.350 0.001 0.000 0.271 231 E C 0.559 177.145 176.600 -0.024 0.000 1.049 231 E CA 0.443 56.833 56.400 -0.017 0.000 0.817 231 E CB -1.760 27.929 29.700 -0.019 0.000 1.407 231 E HN 0.519 nan 8.360 nan 0.000 0.434 232 I N -0.544 120.012 120.570 -0.023 0.000 3.673 232 I HA 0.091 4.261 4.170 0.001 0.000 0.281 232 I C 0.814 176.909 176.117 -0.037 0.000 1.182 232 I CA 0.090 61.362 61.300 -0.046 0.000 1.391 232 I CB 0.408 38.373 38.000 -0.058 0.000 1.383 232 I HN -0.011 nan 8.210 nan 0.000 0.456 233 E N 2.150 122.355 120.200 0.008 0.000 2.202 233 E HA 0.322 4.672 4.350 0.001 0.000 0.272 233 E C -0.523 176.110 176.600 0.055 0.000 0.951 233 E CA -0.585 55.860 56.400 0.075 0.000 0.813 233 E CB 2.269 32.061 29.700 0.154 0.000 1.151 233 E HN -0.031 nan 8.360 nan 0.000 0.398 234 K N 3.677 124.117 120.400 0.067 0.000 2.572 234 K HA 0.338 4.658 4.320 0.001 0.000 0.244 234 K C -2.785 173.815 176.600 -0.001 0.000 0.965 234 K CA -2.042 54.255 56.287 0.016 0.000 0.943 234 K CB 1.097 33.598 32.500 0.002 0.000 1.154 234 K HN 0.126 nan 8.250 nan 0.000 0.447 235 P HA -0.050 nan 4.420 nan 0.000 0.263 235 P C -0.175 177.059 177.300 -0.110 0.000 1.175 235 P CA 0.301 63.374 63.100 -0.044 0.000 0.761 235 P CB 0.576 32.251 31.700 -0.042 0.000 0.794 236 I N 0.816 121.298 120.570 -0.146 0.000 3.673 236 I HA 0.199 4.370 4.170 0.001 0.000 0.281 236 I C 0.157 175.930 176.117 -0.574 0.000 1.182 236 I CA 0.548 61.639 61.300 -0.349 0.000 1.391 236 I CB 0.206 38.038 38.000 -0.281 0.000 1.383 236 I HN 0.175 nan 8.210 nan 0.000 0.456 237 F N 0.383 120.315 119.950 -0.030 0.000 2.619 237 F HA 0.433 4.960 4.527 0.001 0.000 0.308 237 F C -0.494 175.305 175.800 -0.001 0.000 1.097 237 F CA -0.931 57.068 58.000 -0.002 0.000 0.953 237 F CB 1.647 40.669 39.000 0.037 0.000 1.287 237 F HN -0.223 nan 8.300 nan 0.000 0.446 238 E N 2.426 122.756 120.200 0.216 0.000 2.183 238 E HA 0.538 4.889 4.350 0.001 0.000 0.271 238 E C -0.975 175.697 176.600 0.120 0.000 0.919 238 E CA -0.840 55.628 56.400 0.114 0.000 0.781 238 E CB 2.229 31.962 29.700 0.054 0.000 1.140 238 E HN 0.477 nan 8.360 nan 0.000 0.402 239 M N 2.450 122.095 119.600 0.076 0.000 2.233 239 M HA 0.185 4.665 4.480 0.001 0.000 0.355 239 M C 0.333 176.685 176.300 0.086 0.000 1.191 239 M CA -0.214 55.122 55.300 0.061 0.000 1.101 239 M CB 1.496 34.100 32.600 0.007 0.000 1.592 239 M HN 0.394 nan 8.290 nan 0.000 0.461 240 V N 1.891 121.885 119.914 0.133 0.000 3.219 240 V HA 0.224 4.344 4.120 0.001 0.000 0.240 240 V C -0.462 175.757 176.094 0.207 0.000 1.222 240 V CA 0.250 62.659 62.300 0.182 0.000 1.181 240 V CB 0.542 32.547 31.823 0.305 0.000 0.941 240 V HN 0.914 nan 8.190 nan 0.000 0.471 241 W N 0.148 121.399 121.300 -0.082 0.000 3.363 241 W HA 0.550 5.210 4.660 0.001 0.000 0.306 241 W C -1.102 175.324 176.519 -0.155 0.000 1.253 241 W CA 0.045 57.314 57.345 -0.126 0.000 1.195 241 W CB 1.536 30.889 29.460 -0.178 0.000 1.366 241 W HN 0.024 nan 8.180 nan 0.000 0.551 242 T N 1.446 115.565 114.554 -0.724 0.000 2.883 242 T HA 0.914 5.265 4.350 0.001 0.000 0.301 242 T C -1.050 172.948 174.700 -1.169 0.000 1.158 242 T CA -0.409 61.290 62.100 -0.668 0.000 1.007 242 T CB 1.611 70.249 68.868 -0.384 0.000 1.186 242 T HN 1.358 nan 8.240 nan 0.000 0.499 243 A N 1.121 123.514 122.820 -0.712 0.000 2.606 243 A HA 0.826 5.146 4.320 0.001 0.000 0.293 243 A C -1.321 176.122 177.584 -0.235 0.000 1.082 243 A CA -0.848 50.872 52.037 -0.528 0.000 0.685 243 A CB 2.107 20.870 19.000 -0.394 0.000 1.284 243 A HN 1.013 nan 8.150 nan 0.000 0.408 244 Q N 0.413 120.106 119.800 -0.177 0.000 2.331 244 Q HA 0.696 5.036 4.340 0.001 0.000 0.272 244 Q C -1.301 174.641 176.000 -0.098 0.000 1.062 244 Q CA -0.329 55.394 55.803 -0.134 0.000 0.806 244 Q CB 2.359 30.997 28.738 -0.166 0.000 1.312 244 Q HN 0.910 nan 8.270 nan 0.000 0.431 245 T N 2.628 117.137 114.554 -0.076 0.000 2.816 245 T HA 0.610 4.961 4.350 0.001 0.000 0.299 245 T C -1.438 173.226 174.700 -0.060 0.000 1.230 245 T CA -0.476 61.594 62.100 -0.049 0.000 1.007 245 T CB 1.115 69.984 68.868 0.003 0.000 1.289 245 T HN 0.545 nan 8.240 nan 0.000 0.508 246 I N 2.653 123.198 120.570 -0.041 0.000 2.362 246 I HA 0.574 4.744 4.170 0.001 0.000 0.289 246 I C 0.651 176.764 176.117 -0.006 0.000 0.994 246 I CA -0.999 60.281 61.300 -0.033 0.000 1.158 246 I CB 1.552 39.533 38.000 -0.032 0.000 1.315 246 I HN 0.776 nan 8.210 nan 0.000 0.451 247 A N 9.104 131.926 122.820 0.003 0.000 2.462 247 A HA 0.450 4.770 4.320 0.001 0.000 0.243 247 A C -2.260 175.327 177.584 0.006 0.000 1.076 247 A CA -0.978 51.063 52.037 0.007 0.000 0.773 247 A CB -0.469 18.535 19.000 0.006 0.000 1.010 247 A HN 0.434 nan 8.150 nan 0.000 0.493 248 P HA 0.146 nan 4.420 nan 0.000 0.272 248 P C -0.683 176.620 177.300 0.005 0.000 1.223 248 P CA 0.119 63.222 63.100 0.006 0.000 0.784 248 P CB 0.393 32.097 31.700 0.006 0.000 0.923 249 D N -0.097 120.307 120.400 0.006 0.000 2.772 249 D HA -0.126 4.514 4.640 0.001 0.000 0.233 249 D C 0.322 176.627 176.300 0.008 0.000 1.143 249 D CA 1.573 55.577 54.000 0.006 0.000 0.700 249 D CB -1.894 38.908 40.800 0.003 0.000 1.076 249 D HN 0.555 nan 8.370 nan 0.000 0.430 250 S N -1.643 114.064 115.700 0.012 0.000 2.846 250 S HA 0.136 4.607 4.470 0.001 0.000 0.249 250 S C 0.341 174.955 174.600 0.024 0.000 1.028 250 S CA -0.569 57.641 58.200 0.016 0.000 1.043 250 S CB 0.962 64.173 63.200 0.018 0.000 0.990 250 S HN 0.274 nan 8.310 nan 0.000 0.564 251 E N 1.531 121.744 120.200 0.022 0.000 2.465 251 E HA 0.355 4.706 4.350 0.001 0.000 0.260 251 E C 1.159 177.777 176.600 0.031 0.000 0.980 251 E CA 1.031 57.448 56.400 0.028 0.000 0.927 251 E CB -0.252 29.463 29.700 0.024 0.000 0.934 251 E HN 0.656 nan 8.360 nan 0.000 0.459 252 G N 2.966 111.792 108.800 0.042 0.000 2.160 252 G HA2 -0.365 3.595 3.960 0.001 0.000 0.251 252 G HA3 -0.365 3.595 3.960 0.001 0.000 0.251 252 G C 0.816 175.737 174.900 0.036 0.000 1.008 252 G CA 0.596 45.722 45.100 0.044 0.000 0.724 252 G HN 0.761 nan 8.290 nan 0.000 0.514 253 A N -0.884 121.959 122.820 0.039 0.000 1.902 253 A HA 0.460 4.781 4.320 0.001 0.000 0.217 253 A C 1.165 178.767 177.584 0.029 0.000 1.181 253 A CA 1.547 53.605 52.037 0.034 0.000 0.623 253 A CB 0.062 19.088 19.000 0.042 0.000 0.818 253 A HN 0.982 nan 8.150 nan 0.000 0.443 254 I N 0.604 121.204 120.570 0.050 0.000 2.478 254 I HA 0.369 4.540 4.170 0.001 0.000 0.287 254 I C -2.034 174.107 176.117 0.041 0.000 1.042 254 I CA -0.734 60.587 61.300 0.035 0.000 1.067 254 I CB 2.244 40.327 38.000 0.139 0.000 1.233 254 I HN 0.186 nan 8.210 nan 0.000 0.431 255 D N 4.351 124.747 120.400 -0.006 0.000 2.934 255 D HA 0.682 5.322 4.640 0.001 0.000 0.230 255 D C -0.448 175.762 176.300 -0.150 0.000 1.204 255 D CA -0.484 53.502 54.000 -0.022 0.000 0.873 255 D CB 2.187 43.002 40.800 0.025 0.000 1.645 255 D HN 0.641 nan 8.370 nan 0.000 0.502 256 G N 0.685 109.310 108.800 -0.291 0.000 2.723 256 G HA2 0.522 4.482 3.960 0.001 0.000 0.295 256 G HA3 0.522 4.482 3.960 0.001 0.000 0.295 256 G C -1.281 173.431 174.900 -0.313 0.000 1.464 256 G CA -0.652 44.292 45.100 -0.261 0.000 1.012 256 G HN 0.396 nan 8.290 nan 0.000 0.522 257 H N 1.805 120.941 119.070 0.110 0.000 2.524 257 H HA 0.404 4.960 4.556 0.001 0.000 0.353 257 H C -0.864 174.493 175.328 0.049 0.000 1.136 257 H CA -0.845 55.257 56.048 0.090 0.000 1.193 257 H CB 2.659 32.491 29.762 0.116 0.000 1.558 257 H HN 0.401 nan 8.280 nan 0.000 0.515 258 L N 4.178 125.488 121.223 0.144 0.000 2.259 258 L HA 0.285 4.626 4.340 0.001 0.000 0.288 258 L C -0.179 176.727 176.870 0.060 0.000 1.051 258 L CA -0.176 54.705 54.840 0.067 0.000 0.824 258 L CB -0.250 41.824 42.059 0.026 0.000 1.206 258 L HN 0.434 nan 8.230 nan 0.000 0.429 259 R N 2.852 123.382 120.500 0.049 0.000 3.029 259 R HA 0.359 4.699 4.340 0.001 0.000 0.239 259 R C 0.748 177.054 176.300 0.010 0.000 1.351 259 R CA -0.723 55.397 56.100 0.033 0.000 1.052 259 R CB 0.492 30.818 30.300 0.043 0.000 1.354 259 R HN 0.542 nan 8.270 nan 0.000 0.499 260 E N 0.690 120.891 120.200 0.003 0.000 2.265 260 E HA -0.092 4.258 4.350 0.001 0.000 0.196 260 E C 0.861 177.457 176.600 -0.006 0.000 0.996 260 E CA 1.435 57.834 56.400 -0.003 0.000 0.832 260 E CB 0.109 29.807 29.700 -0.003 0.000 0.756 260 E HN 0.542 nan 8.360 nan 0.000 0.491 261 A N 0.753 123.565 122.820 -0.015 0.000 2.415 261 A HA 0.446 4.766 4.320 0.001 0.000 0.248 261 A C 0.839 178.408 177.584 -0.025 0.000 1.299 261 A CA 0.567 52.585 52.037 -0.031 0.000 0.899 261 A CB -0.149 18.808 19.000 -0.073 0.000 0.997 261 A HN 0.253 nan 8.150 nan 0.000 0.506 262 G N -1.058 107.739 108.800 -0.005 0.000 2.582 262 G HA2 0.078 4.039 3.960 0.001 0.000 0.222 262 G HA3 0.078 4.039 3.960 0.001 0.000 0.222 262 G C -0.616 174.290 174.900 0.009 0.000 1.311 262 G CA -0.286 44.818 45.100 0.007 0.000 0.915 262 G HN 1.156 nan 8.290 nan 0.000 0.528 263 L N 1.612 122.846 121.223 0.018 0.000 2.281 263 L HA 0.669 5.009 4.340 0.001 0.000 0.285 263 L C 1.428 178.307 176.870 0.016 0.000 1.074 263 L CA 0.652 55.505 54.840 0.022 0.000 0.817 263 L CB 0.681 42.751 42.059 0.019 0.000 1.168 263 L HN 1.289 nan 8.230 nan 0.000 0.434 264 T N 1.831 116.379 114.554 -0.011 0.000 2.847 264 T HA 0.575 4.926 4.350 0.001 0.000 0.279 264 T C -0.512 174.111 174.700 -0.130 0.000 0.984 264 T CA -0.490 61.551 62.100 -0.098 0.000 0.988 264 T CB 1.127 69.931 68.868 -0.106 0.000 1.040 264 T HN 0.443 nan 8.240 nan 0.000 0.528 265 F N 1.479 121.139 119.950 -0.483 0.000 2.588 265 F HA 0.467 4.995 4.527 0.001 0.000 0.318 265 F C -1.330 174.193 175.800 -0.462 0.000 1.155 265 F CA -0.803 56.986 58.000 -0.351 0.000 0.967 265 F CB 1.435 40.438 39.000 0.005 0.000 1.236 265 F HN 0.766 nan 8.300 nan 0.000 0.455 266 H N 6.763 125.462 119.070 -0.618 0.000 2.717 266 H HA 0.555 5.111 4.556 0.001 0.000 0.366 266 H C -1.280 173.696 175.328 -0.587 0.000 1.132 266 H CA -0.976 54.800 56.048 -0.455 0.000 1.180 266 H CB 2.648 32.315 29.762 -0.159 0.000 1.678 266 H HN 0.612 nan 8.280 nan 0.000 0.537 267 L N 3.685 124.736 121.223 -0.288 0.000 2.345 267 L HA 0.274 4.614 4.340 0.001 0.000 0.274 267 L C 0.748 177.591 176.870 -0.045 0.000 0.999 267 L CA -0.230 54.507 54.840 -0.171 0.000 0.849 267 L CB 1.333 43.315 42.059 -0.129 0.000 1.220 267 L HN 0.461 nan 8.230 nan 0.000 0.422 268 L N 1.768 122.981 121.223 -0.017 0.000 2.616 268 L HA 0.296 4.636 4.340 0.001 0.000 0.229 268 L C 0.515 177.387 176.870 0.004 0.000 1.110 268 L CA 0.335 55.176 54.840 0.001 0.000 0.884 268 L CB 0.032 42.095 42.059 0.006 0.000 1.115 268 L HN 0.528 nan 8.230 nan 0.000 0.481 269 K N -0.469 119.934 120.400 0.006 0.000 2.439 269 K HA 0.244 4.565 4.320 0.001 0.000 0.260 269 K C -1.140 175.466 176.600 0.009 0.000 1.032 269 K CA -0.953 55.338 56.287 0.008 0.000 0.882 269 K CB 1.879 34.384 32.500 0.010 0.000 1.420 269 K HN -0.312 nan 8.250 nan 0.000 0.455 270 D N 1.814 122.217 120.400 0.004 0.000 2.416 270 D HA 0.058 4.698 4.640 0.001 0.000 0.240 270 D C 0.653 176.951 176.300 -0.004 0.000 1.250 270 D CA 0.058 54.058 54.000 0.001 0.000 0.967 270 D CB 0.532 41.328 40.800 -0.006 0.000 1.059 270 D HN 0.247 nan 8.370 nan 0.000 0.512 271 V N 5.531 125.451 119.914 0.009 0.000 2.358 271 V HA -0.116 4.004 4.120 0.001 0.000 0.246 271 V C -0.734 175.333 176.094 -0.046 0.000 1.047 271 V CA 1.350 63.653 62.300 0.004 0.000 1.035 271 V CB -1.046 30.812 31.823 0.058 0.000 0.658 271 V HN 0.503 nan 8.190 nan 0.000 0.452 272 P HA -0.121 nan 4.420 nan 0.000 0.215 272 P C 1.714 178.961 177.300 -0.088 0.000 1.153 272 P CA 1.900 64.953 63.100 -0.078 0.000 0.853 272 P CB -0.306 31.367 31.700 -0.045 0.000 0.788 273 G N -0.520 108.245 108.800 -0.058 0.000 2.408 273 G HA2 -0.193 3.767 3.960 0.001 0.000 0.217 273 G HA3 -0.193 3.767 3.960 0.001 0.000 0.217 273 G C 1.539 176.403 174.900 -0.061 0.000 1.150 273 G CA 0.414 45.483 45.100 -0.052 0.000 0.776 273 G HN 0.230 nan 8.290 nan 0.000 0.542 274 I N 0.312 120.847 120.570 -0.059 0.000 2.252 274 I HA -0.127 4.044 4.170 0.001 0.000 0.245 274 I C 2.746 178.803 176.117 -0.099 0.000 1.102 274 I CA 0.386 61.652 61.300 -0.057 0.000 1.385 274 I CB -0.177 37.803 38.000 -0.035 0.000 1.064 274 I HN 0.016 nan 8.210 nan 0.000 0.414 275 V N 0.919 120.732 119.914 -0.168 0.000 2.295 275 V HA -0.276 3.844 4.120 0.001 0.000 0.246 275 V C 2.638 178.587 176.094 -0.242 0.000 1.049 275 V CA 2.326 64.443 62.300 -0.304 0.000 1.024 275 V CB -0.806 30.653 31.823 -0.607 0.000 0.648 275 V HN 0.600 nan 8.190 nan 0.000 0.447 276 S N -0.261 115.329 115.700 -0.184 0.000 2.423 276 S HA -0.195 4.276 4.470 0.001 0.000 0.231 276 S C 1.871 176.423 174.600 -0.078 0.000 1.014 276 S CA 1.271 59.396 58.200 -0.126 0.000 0.965 276 S CB -0.401 62.740 63.200 -0.098 0.000 0.785 276 S HN 0.611 nan 8.310 nan 0.000 0.495 277 K N 1.085 121.445 120.400 -0.066 0.000 2.296 277 K HA 0.194 4.514 4.320 0.001 0.000 0.200 277 K C 1.324 177.906 176.600 -0.030 0.000 1.048 277 K CA 0.759 57.024 56.287 -0.037 0.000 0.966 277 K CB -0.034 32.448 32.500 -0.029 0.000 0.754 277 K HN 0.393 nan 8.250 nan 0.000 0.466 278 N N 0.204 118.876 118.700 -0.047 0.000 2.197 278 N HA 0.023 4.763 4.740 0.001 0.000 0.201 278 N C 1.304 176.794 175.510 -0.035 0.000 1.148 278 N CA 0.196 53.230 53.050 -0.028 0.000 0.883 278 N CB 0.523 38.995 38.487 -0.025 0.000 1.012 278 N HN 0.051 nan 8.380 nan 0.000 0.507 279 I N 1.434 121.957 120.570 -0.078 0.000 2.394 279 I HA -0.168 4.003 4.170 0.001 0.000 0.251 279 I C 1.907 178.003 176.117 -0.035 0.000 1.136 279 I CA 1.376 62.607 61.300 -0.115 0.000 1.425 279 I CB -0.163 37.739 38.000 -0.163 0.000 1.079 279 I HN -0.031 nan 8.210 nan 0.000 0.425 280 T N 0.927 115.482 114.554 0.001 0.000 2.708 280 T HA -0.261 4.089 4.350 0.001 0.000 0.266 280 T C 1.816 176.548 174.700 0.053 0.000 1.037 280 T CA 1.918 64.039 62.100 0.035 0.000 1.146 280 T CB -0.325 68.591 68.868 0.081 0.000 0.865 280 T HN 0.467 nan 8.240 nan 0.000 0.435 281 K N 1.847 122.278 120.400 0.053 0.000 2.074 281 K HA -0.068 4.253 4.320 0.001 0.000 0.209 281 K C 2.403 179.056 176.600 0.088 0.000 1.048 281 K CA 1.623 57.949 56.287 0.065 0.000 0.926 281 K CB -0.511 32.020 32.500 0.051 0.000 0.713 281 K HN 0.246 nan 8.250 nan 0.000 0.444 282 A N 1.341 124.227 122.820 0.109 0.000 1.902 282 A HA -0.062 4.258 4.320 0.001 0.000 0.217 282 A C 2.239 179.945 177.584 0.203 0.000 1.181 282 A CA 1.546 53.703 52.037 0.202 0.000 0.623 282 A CB -0.685 18.485 19.000 0.284 0.000 0.818 282 A HN 0.351 nan 8.150 nan 0.000 0.443 283 L N -0.314 120.999 121.223 0.150 0.000 2.083 283 L HA -0.144 4.196 4.340 0.001 0.000 0.209 283 L C 2.653 179.595 176.870 0.120 0.000 1.083 283 L CA 1.448 56.335 54.840 0.078 0.000 0.752 283 L CB -0.480 41.322 42.059 -0.428 0.000 0.899 283 L HN 0.439 nan 8.230 nan 0.000 0.433 284 V N -1.678 118.303 119.914 0.113 0.000 2.719 284 V HA -0.186 3.935 4.120 0.001 0.000 0.252 284 V C 2.190 178.277 176.094 -0.011 0.000 1.065 284 V CA 1.731 64.100 62.300 0.116 0.000 1.086 284 V CB -0.175 31.722 31.823 0.124 0.000 0.700 284 V HN 0.563 nan 8.190 nan 0.000 0.467 285 E N 0.957 121.145 120.200 -0.019 0.000 2.058 285 E HA -0.197 4.154 4.350 0.001 0.000 0.194 285 E C 2.139 178.459 176.600 -0.467 0.000 0.997 285 E CA 1.940 58.291 56.400 -0.082 0.000 0.801 285 E CB -0.479 29.290 29.700 0.115 0.000 0.746 285 E HN 0.726 nan 8.360 nan 0.000 0.450 286 A N -0.439 122.023 122.820 -0.598 0.000 1.897 286 A HA -0.047 4.273 4.320 0.001 0.000 0.215 286 A C 1.661 178.531 177.584 -1.190 0.000 1.181 286 A CA 1.108 52.361 52.037 -1.306 0.000 0.620 286 A CB -0.381 18.054 19.000 -0.942 0.000 0.821 286 A HN 0.382 nan 8.150 nan 0.000 0.443 287 F N -1.436 118.276 119.950 -0.398 0.000 2.720 287 F HA 0.233 4.760 4.527 0.001 0.000 0.301 287 F C 1.941 177.597 175.800 -0.240 0.000 1.103 287 F CA 0.472 58.284 58.000 -0.313 0.000 1.291 287 F CB 0.213 39.148 39.000 -0.108 0.000 1.086 287 F HN 0.182 nan 8.300 nan 0.000 0.592 288 E N 1.401 121.569 120.200 -0.053 0.000 2.110 288 E HA -0.122 4.228 4.350 0.001 0.000 0.193 288 E C -0.769 175.751 176.600 -0.133 0.000 0.988 288 E CA 1.353 57.717 56.400 -0.061 0.000 0.804 288 E CB -1.094 28.589 29.700 -0.029 0.000 0.745 288 E HN 0.146 nan 8.360 nan 0.000 0.458 289 P HA -0.077 nan 4.420 nan 0.000 0.226 289 P C 0.595 177.753 177.300 -0.237 0.000 1.153 289 P CA 0.964 63.929 63.100 -0.225 0.000 0.777 289 P CB 0.100 31.621 31.700 -0.297 0.000 0.794 290 L N -2.434 118.615 121.223 -0.290 0.000 2.607 290 L HA 0.299 4.639 4.340 0.001 0.000 0.228 290 L C 1.300 178.048 176.870 -0.203 0.000 1.123 290 L CA 0.433 55.081 54.840 -0.320 0.000 0.890 290 L CB -0.739 40.994 42.059 -0.543 0.000 1.103 290 L HN 0.074 nan 8.230 nan 0.000 0.468 291 G N 1.970 110.690 108.800 -0.134 0.000 2.176 291 G HA2 -0.310 3.650 3.960 0.001 0.000 0.252 291 G HA3 -0.310 3.650 3.960 0.001 0.000 0.252 291 G C -0.020 174.835 174.900 -0.076 0.000 1.024 291 G CA 0.554 45.603 45.100 -0.085 0.000 0.755 291 G HN 0.381 nan 8.290 nan 0.000 0.507 292 I N -1.042 119.490 120.570 -0.063 0.000 2.433 292 I HA 0.808 4.979 4.170 0.001 0.000 0.292 292 I C 0.651 176.722 176.117 -0.077 0.000 1.001 292 I CA 0.039 61.294 61.300 -0.074 0.000 1.119 292 I CB 2.131 40.071 38.000 -0.099 0.000 1.289 292 I HN 0.339 nan 8.210 nan 0.000 0.438 293 S N 2.251 117.823 115.700 -0.213 0.000 2.687 293 S HA 0.237 4.707 4.470 0.001 0.000 0.247 293 S C 0.228 174.349 174.600 -0.799 0.000 1.050 293 S CA -0.155 57.779 58.200 -0.443 0.000 1.063 293 S CB -0.324 62.724 63.200 -0.254 0.000 1.039 293 S HN 0.738 nan 8.310 nan 0.000 0.580 294 D N 1.461 121.579 120.400 -0.470 0.000 2.393 294 D HA 0.217 4.857 4.640 0.001 0.000 0.232 294 D C -0.196 175.945 176.300 -0.265 0.000 1.192 294 D CA -0.604 53.178 54.000 -0.363 0.000 0.882 294 D CB 0.180 40.887 40.800 -0.154 0.000 1.038 294 D HN 0.219 nan 8.370 nan 0.000 0.499 295 Y N 2.081 122.400 120.300 0.032 0.000 2.578 295 Y HA 0.083 4.633 4.550 0.001 0.000 0.297 295 Y C 1.669 177.712 175.900 0.239 0.000 1.176 295 Y CA -0.049 58.127 58.100 0.127 0.000 1.315 295 Y CB -0.343 38.274 38.460 0.261 0.000 1.031 295 Y HN 0.422 nan 8.280 nan 0.000 0.524 296 N N -1.256 117.565 118.700 0.202 0.000 2.412 296 N HA -0.028 4.713 4.740 0.001 0.000 0.184 296 N C 1.404 177.008 175.510 0.156 0.000 1.101 296 N CA 0.416 53.564 53.050 0.164 0.000 0.881 296 N CB 0.248 38.782 38.487 0.078 0.000 0.969 296 N HN 0.145 nan 8.380 nan 0.000 0.459 297 S N 0.634 116.405 115.700 0.118 0.000 2.528 297 S HA 0.163 4.633 4.470 0.001 0.000 0.219 297 S C 1.040 175.726 174.600 0.144 0.000 0.985 297 S CA -0.113 58.150 58.200 0.106 0.000 0.914 297 S CB 0.225 63.457 63.200 0.054 0.000 0.776 297 S HN 0.354 nan 8.310 nan 0.000 0.526 298 I N -1.035 119.612 120.570 0.129 0.000 2.793 298 I HA 0.651 4.821 4.170 0.001 0.000 0.313 298 I C -0.375 175.861 176.117 0.198 0.000 0.998 298 I CA -1.430 59.903 61.300 0.054 0.000 1.140 298 I CB 0.992 38.823 38.000 -0.283 0.000 1.327 298 I HN 0.001 nan 8.210 nan 0.000 0.491 299 F N 0.822 120.866 119.950 0.157 0.000 2.379 299 F HA 0.680 5.207 4.527 0.001 0.000 0.332 299 F C -1.193 174.692 175.800 0.143 0.000 1.096 299 F CA -0.897 57.229 58.000 0.210 0.000 1.105 299 F CB 0.436 39.543 39.000 0.179 0.000 1.189 299 F HN 0.430 nan 8.300 nan 0.000 0.515 300 W N 3.750 125.201 121.300 0.251 0.000 2.632 300 W HA 0.704 5.364 4.660 0.001 0.000 0.328 300 W C -1.472 175.159 176.519 0.188 0.000 1.044 300 W CA -0.664 56.779 57.345 0.164 0.000 1.225 300 W CB 2.007 31.568 29.460 0.169 0.000 1.396 300 W HN 0.311 nan 8.180 nan 0.000 0.499 301 I N 3.578 124.323 120.570 0.292 0.000 2.500 301 I HA 0.603 4.774 4.170 0.001 0.000 0.286 301 I C -0.279 176.012 176.117 0.291 0.000 1.063 301 I CA -0.634 60.812 61.300 0.243 0.000 1.062 301 I CB 1.529 39.586 38.000 0.095 0.000 1.223 301 I HN 0.407 nan 8.210 nan 0.000 0.435 302 A N 3.791 126.826 122.820 0.358 0.000 2.393 302 A HA 0.639 4.959 4.320 0.001 0.000 0.306 302 A C -0.995 176.757 177.584 0.279 0.000 1.050 302 A CA -0.676 51.601 52.037 0.400 0.000 0.724 302 A CB 0.641 20.018 19.000 0.629 0.000 1.248 302 A HN 0.736 nan 8.150 nan 0.000 0.424 303 H N 3.796 122.903 119.070 0.062 0.000 3.046 303 H HA 0.283 4.839 4.556 0.001 0.000 0.303 303 H C -2.057 173.444 175.328 0.289 0.000 1.002 303 H CA -0.975 55.141 56.048 0.114 0.000 1.460 303 H CB 0.799 30.571 29.762 0.017 0.000 1.493 303 H HN 0.313 nan 8.280 nan 0.000 0.559 304 P HA 0.125 nan 4.420 nan 0.000 0.219 304 P C 0.955 178.076 177.300 -0.299 0.000 1.832 304 P CA -0.011 62.984 63.100 -0.174 0.000 1.014 304 P CB 0.286 31.939 31.700 -0.079 0.000 1.939 305 G N 1.691 110.375 108.800 -0.193 0.000 2.505 305 G HA2 -0.048 3.912 3.960 0.001 0.000 0.220 305 G HA3 -0.048 3.912 3.960 0.001 0.000 0.220 305 G C 0.710 175.667 174.900 0.094 0.000 1.145 305 G CA 0.786 45.936 45.100 0.084 0.000 0.761 305 G HN 0.627 nan 8.290 nan 0.000 0.571 306 G N -2.008 106.827 108.800 0.057 0.000 2.660 306 G HA2 0.535 4.496 3.960 0.001 0.000 0.290 306 G HA3 0.535 4.496 3.960 0.001 0.000 0.290 306 G C -2.081 172.826 174.900 0.013 0.000 1.432 306 G CA -0.042 45.075 45.100 0.028 0.000 0.807 306 G HN -0.122 nan 8.290 nan 0.000 0.485 307 P HA -0.101 nan 4.420 nan 0.000 0.218 307 P C 1.861 179.157 177.300 -0.007 0.000 1.148 307 P CA 1.740 64.837 63.100 -0.005 0.000 0.822 307 P CB 0.203 31.893 31.700 -0.016 0.000 0.784 308 A N -0.112 122.704 122.820 -0.008 0.000 1.972 308 A HA -0.124 4.196 4.320 0.001 0.000 0.219 308 A C 2.343 179.910 177.584 -0.028 0.000 1.169 308 A CA 1.086 53.113 52.037 -0.016 0.000 0.635 308 A CB -1.450 17.544 19.000 -0.011 0.000 0.810 308 A HN 0.136 nan 8.150 nan 0.000 0.446 309 I N -0.269 120.288 120.570 -0.023 0.000 2.179 309 I HA -0.270 3.900 4.170 0.001 0.000 0.242 309 I C 2.306 178.392 176.117 -0.050 0.000 1.088 309 I CA 1.204 62.467 61.300 -0.062 0.000 1.357 309 I CB -0.388 37.583 38.000 -0.049 0.000 1.051 309 I HN 0.303 nan 8.210 nan 0.000 0.409 310 L N 0.113 121.335 121.223 -0.003 0.000 2.056 310 L HA -0.205 4.135 4.340 0.001 0.000 0.207 310 L C 2.130 178.975 176.870 -0.041 0.000 1.078 310 L CA 1.179 56.021 54.840 0.003 0.000 0.749 310 L CB -0.784 41.289 42.059 0.024 0.000 0.901 310 L HN 0.234 nan 8.230 nan 0.000 0.433 311 D N -0.093 120.285 120.400 -0.037 0.000 2.117 311 D HA -0.173 4.468 4.640 0.001 0.000 0.198 311 D C 2.333 178.599 176.300 -0.057 0.000 0.982 311 D CA 1.117 55.090 54.000 -0.045 0.000 0.828 311 D CB -0.090 40.689 40.800 -0.034 0.000 0.967 311 D HN 0.384 nan 8.370 nan 0.000 0.464 312 Q N -0.017 119.747 119.800 -0.059 0.000 2.172 312 Q HA -0.026 4.315 4.340 0.001 0.000 0.200 312 Q C 2.279 178.232 176.000 -0.080 0.000 0.964 312 Q CA 0.387 56.152 55.803 -0.064 0.000 0.855 312 Q CB 0.309 29.008 28.738 -0.064 0.000 0.918 312 Q HN 0.121 nan 8.270 nan 0.000 0.444 313 V N 1.353 121.209 119.914 -0.097 0.000 2.307 313 V HA -0.278 3.842 4.120 0.001 0.000 0.245 313 V C 2.256 178.269 176.094 -0.136 0.000 1.045 313 V CA 2.182 64.415 62.300 -0.111 0.000 1.024 313 V CB -0.500 31.263 31.823 -0.101 0.000 0.651 313 V HN 0.455 nan 8.190 nan 0.000 0.449 314 E N -0.204 119.904 120.200 -0.153 0.000 2.085 314 E HA -0.310 4.041 4.350 0.001 0.000 0.194 314 E C 2.177 178.715 176.600 -0.104 0.000 0.994 314 E CA 1.797 58.096 56.400 -0.168 0.000 0.801 314 E CB -0.151 29.462 29.700 -0.145 0.000 0.743 314 E HN 0.688 nan 8.360 nan 0.000 0.453 315 Q N 0.241 119.996 119.800 -0.075 0.000 2.050 315 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 315 Q C 2.167 178.145 176.000 -0.037 0.000 0.980 315 Q CA 1.832 57.606 55.803 -0.050 0.000 0.840 315 Q CB -0.101 28.611 28.738 -0.042 0.000 0.898 315 Q HN 0.037 nan 8.270 nan 0.000 0.424 316 K N 0.957 121.333 120.400 -0.039 0.000 2.032 316 K HA -0.137 4.184 4.320 0.001 0.000 0.209 316 K C 1.550 178.154 176.600 0.007 0.000 1.048 316 K CA 1.461 57.737 56.287 -0.018 0.000 0.927 316 K CB -0.197 32.288 32.500 -0.024 0.000 0.712 316 K HN 0.169 nan 8.250 nan 0.000 0.441 317 L N -0.405 120.820 121.223 0.003 0.000 2.509 317 L HA 0.270 4.610 4.340 0.001 0.000 0.222 317 L C 0.611 177.503 176.870 0.037 0.000 1.123 317 L CA 0.279 55.155 54.840 0.059 0.000 0.856 317 L CB -0.242 41.866 42.059 0.083 0.000 0.985 317 L HN 0.355 nan 8.230 nan 0.000 0.456 318 A N 0.671 123.485 122.820 -0.010 0.000 2.846 318 A HA -0.191 4.129 4.320 0.001 0.000 0.287 318 A C 0.270 177.834 177.584 -0.035 0.000 1.469 318 A CA 0.258 52.283 52.037 -0.019 0.000 0.757 318 A CB -2.455 16.544 19.000 -0.002 0.000 1.033 318 A HN 0.301 nan 8.150 nan 0.000 0.516 319 L N 0.105 121.274 121.223 -0.090 0.000 2.426 319 L HA 0.179 4.520 4.340 0.001 0.000 0.271 319 L C 1.220 178.032 176.870 -0.096 0.000 1.169 319 L CA -0.127 54.631 54.840 -0.137 0.000 0.836 319 L CB 0.436 42.294 42.059 -0.336 0.000 1.112 319 L HN 0.388 nan 8.230 nan 0.000 0.465 320 K N 3.249 123.611 120.400 -0.063 0.000 2.469 320 K HA 0.019 4.339 4.320 0.001 0.000 0.274 320 K C -1.590 174.977 176.600 -0.054 0.000 0.983 320 K CA -1.234 55.029 56.287 -0.039 0.000 0.974 320 K CB 0.233 32.728 32.500 -0.009 0.000 0.913 320 K HN 0.317 nan 8.250 nan 0.000 0.493 321 P HA -0.167 nan 4.420 nan 0.000 0.218 321 P C 0.356 177.643 177.300 -0.021 0.000 1.148 321 P CA 1.291 64.370 63.100 -0.035 0.000 0.822 321 P CB 0.251 31.939 31.700 -0.020 0.000 0.784 322 E N -0.561 119.637 120.200 -0.003 0.000 2.338 322 E HA -0.124 4.226 4.350 0.001 0.000 0.197 322 E C 1.804 178.426 176.600 0.036 0.000 1.007 322 E CA 0.746 57.160 56.400 0.023 0.000 0.849 322 E CB -0.564 29.159 29.700 0.037 0.000 0.774 322 E HN 0.175 nan 8.360 nan 0.000 0.506 323 K N 0.045 120.445 120.400 -0.000 0.000 2.063 323 K HA -0.054 4.266 4.320 0.001 0.000 0.208 323 K C 1.419 178.057 176.600 0.064 0.000 1.048 323 K CA 0.983 57.281 56.287 0.018 0.000 0.928 323 K CB -0.154 32.243 32.500 -0.171 0.000 0.713 323 K HN 0.250 nan 8.250 nan 0.000 0.442 324 M N 1.387 120.988 119.600 0.003 0.000 2.568 324 M HA 0.018 4.499 4.480 0.001 0.000 0.226 324 M C 0.771 177.121 176.300 0.084 0.000 1.148 324 M CA 0.271 55.606 55.300 0.058 0.000 1.007 324 M CB -0.803 31.797 32.600 -0.001 0.000 1.651 324 M HN 0.016 nan 8.290 nan 0.000 0.488 325 N N 1.810 120.560 118.700 0.083 0.000 2.069 325 N HA -0.115 4.626 4.740 0.001 0.000 0.191 325 N C 1.780 177.352 175.510 0.103 0.000 1.031 325 N CA 1.897 54.995 53.050 0.080 0.000 0.852 325 N CB -0.176 38.356 38.487 0.074 0.000 1.018 325 N HN 0.404 nan 8.380 nan 0.000 0.423 326 A N 0.010 122.910 122.820 0.133 0.000 1.902 326 A HA -0.116 4.205 4.320 0.001 0.000 0.217 326 A C 2.364 180.041 177.584 0.155 0.000 1.181 326 A CA 2.041 54.166 52.037 0.148 0.000 0.623 326 A CB -1.113 17.988 19.000 0.168 0.000 0.818 326 A HN 0.330 nan 8.150 nan 0.000 0.443 327 T N -0.082 114.570 114.554 0.163 0.000 2.684 327 T HA -0.158 4.192 4.350 0.001 0.000 0.267 327 T C 2.022 176.792 174.700 0.117 0.000 1.036 327 T CA 1.693 63.885 62.100 0.153 0.000 1.148 327 T CB -0.257 68.716 68.868 0.175 0.000 0.863 327 T HN 0.540 nan 8.240 nan 0.000 0.436 328 R N 0.609 121.166 120.500 0.095 0.000 2.148 328 R HA -0.018 4.322 4.340 0.001 0.000 0.223 328 R C 2.507 178.848 176.300 0.068 0.000 1.088 328 R CA 1.099 57.238 56.100 0.065 0.000 0.985 328 R CB -0.152 30.175 30.300 0.045 0.000 0.880 328 R HN 0.373 nan 8.270 nan 0.000 0.451 329 E N 0.987 121.240 120.200 0.089 0.000 2.072 329 E HA -0.117 4.234 4.350 0.001 0.000 0.191 329 E C 1.798 178.478 176.600 0.133 0.000 0.985 329 E CA 1.145 57.601 56.400 0.093 0.000 0.801 329 E CB -0.037 29.727 29.700 0.107 0.000 0.750 329 E HN 0.019 nan 8.360 nan 0.000 0.452 330 V N 0.836 120.867 119.914 0.194 0.000 2.343 330 V HA -0.203 3.918 4.120 0.001 0.000 0.247 330 V C 2.426 178.647 176.094 0.211 0.000 1.051 330 V CA 1.610 64.093 62.300 0.305 0.000 1.036 330 V CB -0.614 31.367 31.823 0.263 0.000 0.654 330 V HN 0.346 nan 8.190 nan 0.000 0.451 331 L N 0.097 121.385 121.223 0.108 0.000 2.083 331 L HA -0.122 4.218 4.340 0.001 0.000 0.209 331 L C 2.591 179.474 176.870 0.022 0.000 1.083 331 L CA 2.382 57.252 54.840 0.051 0.000 0.752 331 L CB -0.765 41.308 42.059 0.023 0.000 0.899 331 L HN 0.308 nan 8.230 nan 0.000 0.433 332 S N -0.900 114.809 115.700 0.014 0.000 2.368 332 S HA -0.210 4.260 4.470 0.001 0.000 0.225 332 S C 1.925 176.474 174.600 -0.085 0.000 1.030 332 S CA 1.704 59.886 58.200 -0.030 0.000 0.999 332 S CB -0.250 62.939 63.200 -0.018 0.000 0.844 332 S HN 0.658 nan 8.310 nan 0.000 0.459 333 E N -1.489 118.634 120.200 -0.129 0.000 2.112 333 E HA -0.023 4.328 4.350 0.001 0.000 0.190 333 E C 0.984 177.323 176.600 -0.435 0.000 0.979 333 E CA 1.046 57.225 56.400 -0.368 0.000 0.814 333 E CB 0.061 29.357 29.700 -0.674 0.000 0.762 333 E HN 0.692 nan 8.360 nan 0.000 0.460 334 Y N -1.165 119.147 120.300 0.021 0.000 2.448 334 Y HA 0.300 4.850 4.550 0.001 0.000 0.257 334 Y C 0.906 176.768 175.900 -0.062 0.000 1.089 334 Y CA 0.179 58.281 58.100 0.004 0.000 1.245 334 Y CB 1.291 39.660 38.460 -0.151 0.000 1.282 334 Y HN 0.061 nan 8.280 nan 0.000 0.529 335 G N 1.615 110.452 108.800 0.062 0.000 2.698 335 G HA2 -0.321 3.640 3.960 0.001 0.000 0.233 335 G HA3 -0.321 3.640 3.960 0.001 0.000 0.233 335 G C -0.581 174.342 174.900 0.038 0.000 1.352 335 G CA -0.350 44.764 45.100 0.022 0.000 0.879 335 G HN 0.309 nan 8.290 nan 0.000 0.567 336 N N 0.463 119.206 118.700 0.071 0.000 2.402 336 N HA 0.407 5.147 4.740 0.001 0.000 0.252 336 N C 0.995 176.559 175.510 0.090 0.000 1.118 336 N CA -0.180 52.931 53.050 0.102 0.000 0.945 336 N CB 0.098 38.723 38.487 0.230 0.000 1.147 336 N HN 0.480 nan 8.380 nan 0.000 0.495 337 M N 2.444 122.053 119.600 0.016 0.000 2.723 337 M HA 0.070 4.550 4.480 0.001 0.000 0.270 337 M C 1.034 177.303 176.300 -0.052 0.000 1.282 337 M CA -0.263 55.002 55.300 -0.057 0.000 0.995 337 M CB -0.484 32.002 32.600 -0.190 0.000 1.430 337 M HN 0.698 nan 8.290 nan 0.000 0.477 338 S N 1.083 116.770 115.700 -0.022 0.000 4.050 338 S HA -0.331 4.139 4.470 0.001 0.000 0.602 338 S C 1.560 176.078 174.600 -0.136 0.000 2.030 338 S CA 2.275 60.395 58.200 -0.133 0.000 4.208 338 S CB -1.238 61.793 63.200 -0.282 0.000 0.290 338 S HN 0.746 nan 8.310 nan 0.000 0.615 339 S N 1.734 117.319 115.700 -0.191 0.000 2.400 339 S HA 0.003 4.474 4.470 0.001 0.000 0.232 339 S C 2.086 176.653 174.600 -0.056 0.000 1.025 339 S CA 2.114 60.215 58.200 -0.166 0.000 0.993 339 S CB -1.205 61.893 63.200 -0.169 0.000 0.808 339 S HN 1.625 nan 8.310 nan 0.000 0.478 340 A N 0.526 123.343 122.820 -0.004 0.000 2.015 340 A HA -0.001 4.320 4.320 0.001 0.000 0.219 340 A C 2.471 180.157 177.584 0.170 0.000 1.163 340 A CA 1.070 53.167 52.037 0.100 0.000 0.646 340 A CB -1.576 17.517 19.000 0.156 0.000 0.806 340 A HN 0.673 nan 8.150 nan 0.000 0.448 341 C N -1.409 117.951 119.300 0.099 0.000 2.376 341 C HA -0.172 4.288 4.460 0.001 0.000 0.275 341 C C 2.692 177.791 174.990 0.182 0.000 1.200 341 C CA 1.634 60.718 59.018 0.111 0.000 1.756 341 C CB -1.237 26.637 27.740 0.223 0.000 2.050 341 C HN 0.467 nan 8.230 nan 0.000 0.460 342 V N 0.625 120.646 119.914 0.178 0.000 2.490 342 V HA -0.195 3.925 4.120 0.001 0.000 0.250 342 V C 2.156 178.312 176.094 0.102 0.000 1.061 342 V CA 2.043 64.421 62.300 0.129 0.000 1.064 342 V CB -0.401 31.474 31.823 0.086 0.000 0.670 342 V HN 0.575 nan 8.190 nan 0.000 0.461 343 L N -2.099 119.187 121.223 0.106 0.000 2.156 343 L HA -0.088 4.252 4.340 0.001 0.000 0.208 343 L C 2.342 179.255 176.870 0.073 0.000 1.095 343 L CA 1.241 56.116 54.840 0.058 0.000 0.770 343 L CB -0.632 41.437 42.059 0.016 0.000 0.914 343 L HN 0.256 nan 8.230 nan 0.000 0.439 344 F N 0.591 120.508 119.950 -0.055 0.000 2.171 344 F HA -0.191 4.337 4.527 0.001 0.000 0.300 344 F C 2.338 178.138 175.800 -0.000 0.000 1.090 344 F CA 1.407 59.358 58.000 -0.082 0.000 1.293 344 F CB -0.393 38.490 39.000 -0.196 0.000 1.013 344 F HN -0.056 nan 8.300 nan 0.000 0.486 345 I N -0.712 119.991 120.570 0.222 0.000 2.315 345 I HA -0.284 3.887 4.170 0.001 0.000 0.248 345 I C 2.219 178.418 176.117 0.138 0.000 1.117 345 I CA 1.011 62.417 61.300 0.177 0.000 1.404 345 I CB -0.520 37.580 38.000 0.166 0.000 1.071 345 I HN 0.098 nan 8.210 nan 0.000 0.419 346 L N 0.330 121.608 121.223 0.092 0.000 2.046 346 L HA -0.243 4.098 4.340 0.001 0.000 0.208 346 L C 2.263 179.246 176.870 0.189 0.000 1.077 346 L CA 1.417 56.310 54.840 0.088 0.000 0.747 346 L CB -0.587 41.476 42.059 0.007 0.000 0.896 346 L HN 0.263 nan 8.230 nan 0.000 0.432 347 D N -0.042 120.420 120.400 0.102 0.000 2.097 347 D HA -0.240 4.400 4.640 0.001 0.000 0.195 347 D C 2.038 178.388 176.300 0.084 0.000 0.989 347 D CA 1.186 55.221 54.000 0.059 0.000 0.827 347 D CB 0.164 40.928 40.800 -0.060 0.000 0.966 347 D HN 0.190 nan 8.370 nan 0.000 0.456 348 E N -0.014 120.255 120.200 0.115 0.000 2.085 348 E HA -0.195 4.155 4.350 0.001 0.000 0.194 348 E C 2.187 178.857 176.600 0.117 0.000 0.994 348 E CA 1.197 57.675 56.400 0.130 0.000 0.801 348 E CB -0.491 29.313 29.700 0.173 0.000 0.743 348 E HN 0.414 nan 8.360 nan 0.000 0.453 349 M N 0.203 119.888 119.600 0.141 0.000 2.099 349 M HA -0.187 4.293 4.480 0.001 0.000 0.262 349 M C 2.182 178.540 176.300 0.096 0.000 1.067 349 M CA 2.239 57.619 55.300 0.134 0.000 1.124 349 M CB -0.149 32.555 32.600 0.173 0.000 1.353 349 M HN 0.131 nan 8.290 nan 0.000 0.410 350 R N 0.066 120.637 120.500 0.119 0.000 2.092 350 R HA -0.050 4.291 4.340 0.001 0.000 0.231 350 R C 1.823 178.102 176.300 -0.036 0.000 1.119 350 R CA 1.583 57.665 56.100 -0.030 0.000 0.970 350 R CB -0.750 29.467 30.300 -0.138 0.000 0.864 350 R HN 0.314 nan 8.270 nan 0.000 0.440 351 K N 0.432 120.836 120.400 0.006 0.000 2.057 351 K HA -0.061 4.260 4.320 0.001 0.000 0.206 351 K C 2.032 178.636 176.600 0.007 0.000 1.050 351 K CA 1.499 57.787 56.287 0.002 0.000 0.935 351 K CB -0.021 32.491 32.500 0.019 0.000 0.715 351 K HN -0.007 nan 8.250 nan 0.000 0.439 352 K N 0.488 120.903 120.400 0.026 0.000 2.148 352 K HA 0.011 4.332 4.320 0.001 0.000 0.204 352 K C 1.993 178.598 176.600 0.009 0.000 1.050 352 K CA 1.166 57.469 56.287 0.027 0.000 0.942 352 K CB 0.025 32.554 32.500 0.049 0.000 0.724 352 K HN -0.037 nan 8.250 nan 0.000 0.446 353 S N -0.382 115.314 115.700 -0.006 0.000 2.368 353 S HA -0.134 4.337 4.470 0.001 0.000 0.224 353 S C 1.902 176.478 174.600 -0.040 0.000 1.029 353 S CA 1.751 59.934 58.200 -0.029 0.000 0.988 353 S CB -0.545 62.615 63.200 -0.067 0.000 0.838 353 S HN 0.647 nan 8.310 nan 0.000 0.462 354 T N 0.439 114.964 114.554 -0.049 0.000 2.857 354 T HA -0.098 4.253 4.350 0.001 0.000 0.266 354 T C 1.815 176.498 174.700 -0.028 0.000 1.048 354 T CA 1.230 63.301 62.100 -0.048 0.000 1.139 354 T CB -0.432 68.402 68.868 -0.056 0.000 0.874 354 T HN 0.380 nan 8.240 nan 0.000 0.455 355 Q N 1.363 121.153 119.800 -0.016 0.000 2.084 355 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 355 Q C 1.428 177.426 176.000 -0.004 0.000 0.978 355 Q CA 1.526 57.325 55.803 -0.006 0.000 0.844 355 Q CB -0.155 28.586 28.738 0.004 0.000 0.898 355 Q HN 0.427 nan 8.270 nan 0.000 0.426 356 N N -0.623 118.076 118.700 -0.003 0.000 2.383 356 N HA 0.092 4.832 4.740 0.001 0.000 0.192 356 N C 0.147 175.654 175.510 -0.005 0.000 1.141 356 N CA 0.911 53.962 53.050 0.000 0.000 0.851 356 N CB 0.688 39.179 38.487 0.007 0.000 0.976 356 N HN 0.425 nan 8.380 nan 0.000 0.465 357 G N 0.750 109.543 108.800 -0.012 0.000 2.249 357 G HA2 -0.280 3.680 3.960 0.001 0.000 0.273 357 G HA3 -0.280 3.680 3.960 0.001 0.000 0.273 357 G C 0.079 174.969 174.900 -0.017 0.000 1.036 357 G CA 0.061 45.151 45.100 -0.016 0.000 0.824 357 G HN 0.284 nan 8.290 nan 0.000 0.504 358 L N -1.114 120.097 121.223 -0.020 0.000 2.476 358 L HA 0.288 4.628 4.340 0.001 0.000 0.255 358 L C 1.882 178.733 176.870 -0.032 0.000 1.218 358 L CA -0.666 54.162 54.840 -0.020 0.000 0.819 358 L CB 0.204 42.251 42.059 -0.019 0.000 1.119 358 L HN -0.103 nan 8.230 nan 0.000 0.485 359 K N 0.040 120.423 120.400 -0.027 0.000 2.296 359 K HA 0.021 4.342 4.320 0.001 0.000 0.200 359 K C 0.658 177.224 176.600 -0.057 0.000 1.048 359 K CA 0.620 56.887 56.287 -0.034 0.000 0.966 359 K CB -0.178 32.311 32.500 -0.018 0.000 0.754 359 K HN 0.872 nan 8.250 nan 0.000 0.466 360 T N -3.614 110.895 114.554 -0.075 0.000 2.865 360 T HA 0.204 4.554 4.350 0.001 0.000 0.294 360 T C 1.015 175.607 174.700 -0.180 0.000 1.119 360 T CA -0.400 61.627 62.100 -0.123 0.000 1.007 360 T CB 1.649 70.452 68.868 -0.109 0.000 1.225 360 T HN 0.029 nan 8.240 nan 0.000 0.515 361 T N -2.117 112.265 114.554 -0.287 0.000 3.072 361 T HA 0.201 4.551 4.350 0.001 0.000 0.266 361 T C 1.480 175.951 174.700 -0.382 0.000 1.127 361 T CA 0.670 62.532 62.100 -0.395 0.000 1.107 361 T CB -0.593 67.827 68.868 -0.746 0.000 0.910 361 T HN 1.021 nan 8.240 nan 0.000 0.513 362 G N 1.125 109.638 108.800 -0.478 0.000 3.943 362 G HA2 0.408 4.368 3.960 0.001 0.000 0.275 362 G HA3 0.408 4.368 3.960 0.001 0.000 0.275 362 G C -0.076 174.631 174.900 -0.322 0.000 1.234 362 G CA -0.685 43.844 45.100 -0.951 0.000 1.522 362 G HN 0.524 nan 8.290 nan 0.000 0.636 363 E N -1.026 119.092 120.200 -0.136 0.000 2.722 363 E HA -0.288 4.062 4.350 0.001 0.000 0.265 363 E C 1.546 178.163 176.600 0.027 0.000 1.081 363 E CA 0.586 56.988 56.400 0.003 0.000 0.781 363 E CB -1.367 28.392 29.700 0.097 0.000 1.372 363 E HN 1.265 nan 8.360 nan 0.000 0.423 364 G N -0.775 108.020 108.800 -0.009 0.000 2.199 364 G HA2 -0.323 3.638 3.960 0.001 0.000 0.254 364 G HA3 -0.323 3.638 3.960 0.001 0.000 0.254 364 G C 0.287 175.222 174.900 0.058 0.000 0.982 364 G CA 0.510 45.620 45.100 0.016 0.000 0.632 364 G HN 0.242 nan 8.290 nan 0.000 0.529 365 L N -0.123 121.172 121.223 0.120 0.000 2.387 365 L HA 0.602 4.942 4.340 0.001 0.000 0.266 365 L C 1.528 178.534 176.870 0.226 0.000 1.059 365 L CA -0.396 54.570 54.840 0.210 0.000 0.801 365 L CB 1.302 43.563 42.059 0.337 0.000 1.223 365 L HN 0.225 nan 8.230 nan 0.000 0.456 366 E N 0.865 121.169 120.200 0.174 0.000 2.042 366 E HA -0.027 4.323 4.350 0.001 0.000 0.189 366 E C -0.398 176.170 176.600 -0.055 0.000 0.974 366 E CA 0.551 56.942 56.400 -0.015 0.000 0.806 366 E CB 0.215 29.820 29.700 -0.158 0.000 0.769 366 E HN 0.485 nan 8.360 nan 0.000 0.451 367 W N -0.410 121.016 121.300 0.211 0.000 2.578 367 W HA 0.612 5.272 4.660 0.001 0.000 0.346 367 W C 0.245 176.506 176.519 -0.429 0.000 1.075 367 W CA -0.358 57.016 57.345 0.049 0.000 1.233 367 W CB 1.835 31.349 29.460 0.090 0.000 1.358 367 W HN 0.099 nan 8.180 nan 0.000 0.574 368 G N 0.007 108.469 108.800 -0.563 0.000 2.682 368 G HA2 0.583 4.543 3.960 0.001 0.000 0.290 368 G HA3 0.583 4.543 3.960 0.001 0.000 0.290 368 G C -2.301 172.261 174.900 -0.564 0.000 1.425 368 G CA -0.777 43.487 45.100 -1.393 0.000 0.807 368 G HN 0.501 nan 8.290 nan 0.000 0.482 369 V N 0.036 119.562 119.914 -0.648 0.000 2.789 369 V HA 0.838 4.958 4.120 0.001 0.000 0.311 369 V C -1.234 174.504 176.094 -0.593 0.000 1.073 369 V CA -0.892 61.069 62.300 -0.565 0.000 0.921 369 V CB 1.726 33.137 31.823 -0.687 0.000 1.009 369 V HN 0.897 nan 8.190 nan 0.000 0.426 370 L N 5.816 126.700 121.223 -0.566 0.000 2.362 370 L HA 0.750 5.090 4.340 0.001 0.000 0.275 370 L C -1.834 174.717 176.870 -0.531 0.000 0.998 370 L CA -0.301 54.304 54.840 -0.392 0.000 0.820 370 L CB 1.766 43.681 42.059 -0.239 0.000 1.270 370 L HN 0.631 nan 8.230 nan 0.000 0.415 371 F N 2.409 122.259 119.950 -0.167 0.000 2.520 371 F HA 0.747 5.274 4.527 0.001 0.000 0.322 371 F C 0.660 176.161 175.800 -0.498 0.000 1.103 371 F CA -0.656 57.158 58.000 -0.311 0.000 0.926 371 F CB 2.263 41.061 39.000 -0.336 0.000 1.154 371 F HN 0.458 nan 8.300 nan 0.000 0.453 372 G N 2.076 110.728 108.800 -0.246 0.000 2.416 372 G HA2 0.677 4.638 3.960 0.001 0.000 0.329 372 G HA3 0.677 4.638 3.960 0.001 0.000 0.329 372 G C -1.907 172.808 174.900 -0.309 0.000 1.173 372 G CA -0.422 44.518 45.100 -0.268 0.000 0.929 372 G HN 0.286 nan 8.290 nan 0.000 0.475 373 F N 0.298 120.401 119.950 0.255 0.000 2.540 373 F HA 0.864 5.392 4.527 0.001 0.000 0.317 373 F C 0.638 176.603 175.800 0.273 0.000 1.104 373 F CA -0.768 57.380 58.000 0.247 0.000 0.913 373 F CB 2.465 41.608 39.000 0.238 0.000 1.170 373 F HN 0.870 nan 8.300 nan 0.000 0.450 374 G N 1.046 110.155 108.800 0.515 0.000 2.494 374 G HA2 0.528 4.488 3.960 0.001 0.000 0.308 374 G HA3 0.528 4.488 3.960 0.001 0.000 0.308 374 G C -3.407 171.762 174.900 0.448 0.000 1.263 374 G CA -1.221 44.169 45.100 0.485 0.000 0.840 374 G HN 0.244 nan 8.290 nan 0.000 0.479 375 P HA 0.334 nan 4.420 nan 0.000 0.264 375 P C 0.814 178.264 177.300 0.251 0.000 1.183 375 P CA 1.905 65.185 63.100 0.299 0.000 0.763 375 P CB 1.088 32.947 31.700 0.265 0.000 0.807 376 G N 2.530 111.413 108.800 0.138 0.000 4.220 376 G HA2 -0.141 3.819 3.960 0.001 0.000 0.197 376 G HA3 -0.141 3.819 3.960 0.001 0.000 0.197 376 G C -0.386 174.543 174.900 0.048 0.000 1.518 376 G CA -0.462 44.677 45.100 0.065 0.000 0.955 376 G HN 0.580 nan 8.290 nan 0.000 0.353 377 L N 3.373 124.625 121.223 0.047 0.000 2.418 377 L HA 0.598 4.938 4.340 0.001 0.000 0.274 377 L C -0.159 176.729 176.870 0.030 0.000 1.135 377 L CA 0.209 55.090 54.840 0.068 0.000 0.870 377 L CB 0.952 43.050 42.059 0.066 0.000 1.154 377 L HN 0.251 nan 8.230 nan 0.000 0.462 378 T N 6.540 121.098 114.554 0.007 0.000 2.837 378 T HA 0.516 4.866 4.350 0.001 0.000 0.285 378 T C -0.095 174.604 174.700 -0.002 0.000 0.984 378 T CA -0.197 61.807 62.100 -0.159 0.000 1.049 378 T CB 0.959 69.397 68.868 -0.716 0.000 0.947 378 T HN 0.388 nan 8.240 nan 0.000 0.472 379 I N 2.986 123.569 120.570 0.022 0.000 2.389 379 I HA 0.326 4.497 4.170 0.001 0.000 0.288 379 I C 0.192 176.348 176.117 0.064 0.000 0.999 379 I CA -0.787 60.618 61.300 0.174 0.000 1.129 379 I CB 1.502 39.649 38.000 0.246 0.000 1.288 379 I HN 0.410 nan 8.210 nan 0.000 0.444 380 E N 4.670 124.912 120.200 0.070 0.000 2.191 380 E HA 0.465 4.815 4.350 0.001 0.000 0.278 380 E C -0.873 175.774 176.600 0.078 0.000 0.972 380 E CA -0.418 55.993 56.400 0.018 0.000 0.804 380 E CB 2.420 32.124 29.700 0.007 0.000 1.110 380 E HN 0.438 nan 8.360 nan 0.000 0.394 381 T N 1.398 115.954 114.554 0.003 0.000 2.841 381 T HA 0.448 4.798 4.350 0.001 0.000 0.283 381 T C -0.500 174.101 174.700 -0.165 0.000 1.000 381 T CA -0.567 61.473 62.100 -0.100 0.000 0.977 381 T CB 1.423 70.346 68.868 0.092 0.000 0.979 381 T HN 0.098 nan 8.240 nan 0.000 0.446 382 V N 3.414 123.177 119.914 -0.252 0.000 2.525 382 V HA 0.407 4.527 4.120 0.001 0.000 0.299 382 V C -0.237 175.749 176.094 -0.180 0.000 1.034 382 V CA -0.864 61.335 62.300 -0.169 0.000 0.863 382 V CB 1.908 33.635 31.823 -0.161 0.000 0.999 382 V HN 0.723 nan 8.190 nan 0.000 0.423 383 V N 6.755 126.633 119.914 -0.059 0.000 2.432 383 V HA 0.473 4.593 4.120 0.001 0.000 0.275 383 V C -0.036 176.081 176.094 0.039 0.000 1.043 383 V CA -0.178 62.066 62.300 -0.094 0.000 0.925 383 V CB 1.299 33.006 31.823 -0.194 0.000 0.985 383 V HN 0.628 nan 8.190 nan 0.000 0.466 384 L N 5.136 126.385 121.223 0.044 0.000 2.333 384 L HA 0.711 5.052 4.340 0.001 0.000 0.269 384 L C -0.091 176.918 176.870 0.232 0.000 1.010 384 L CA -0.752 54.164 54.840 0.127 0.000 0.818 384 L CB 2.097 44.205 42.059 0.082 0.000 1.306 384 L HN 0.545 nan 8.230 nan 0.000 0.430 385 R N 0.743 121.357 120.500 0.190 0.000 2.534 385 R HA 0.497 4.838 4.340 0.001 0.000 0.301 385 R C -0.217 176.217 176.300 0.223 0.000 0.961 385 R CA -0.390 55.687 56.100 -0.039 0.000 0.871 385 R CB 1.857 31.880 30.300 -0.462 0.000 1.170 385 R HN 0.842 nan 8.270 nan 0.000 0.446 386 S N 1.873 117.732 115.700 0.266 0.000 2.626 386 S HA 0.363 4.833 4.470 0.001 0.000 0.257 386 S C -0.077 174.470 174.600 -0.088 0.000 1.288 386 S CA -0.644 57.617 58.200 0.103 0.000 0.980 386 S CB 1.237 64.419 63.200 -0.031 0.000 0.975 386 S HN 0.292 nan 8.310 nan 0.000 0.577 387 V N 0.692 120.483 119.914 -0.205 0.000 2.680 387 V HA 0.698 4.819 4.120 0.001 0.000 0.309 387 V C 0.421 176.418 176.094 -0.162 0.000 1.052 387 V CA -0.749 61.445 62.300 -0.176 0.000 0.908 387 V CB 1.430 33.134 31.823 -0.198 0.000 1.001 387 V HN 1.213 nan 8.190 nan 0.000 0.431 388 A N 4.247 126.999 122.820 -0.114 0.000 2.492 388 A HA 0.606 4.927 4.320 0.001 0.000 0.254 388 A C -0.100 177.426 177.584 -0.096 0.000 1.091 388 A CA 0.375 52.356 52.037 -0.092 0.000 0.768 388 A CB -0.530 18.430 19.000 -0.066 0.000 1.028 388 A HN 1.047 nan 8.150 nan 0.000 0.498 389 I N 0.000 120.515 120.570 -0.092 0.000 2.984 389 I HA 0.000 4.170 4.170 0.001 0.000 0.288 389 I CA 0.000 61.249 61.300 -0.085 0.000 1.566 389 I CB 0.000 37.962 38.000 -0.064 0.000 1.214 389 I HN 0.000 nan 8.210 nan 0.000 0.494