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 2onn_1_B DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGQE LGEYGLQAYT EVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.590 177.584 0.010 0.000 1.274 7 A CA 0.000 52.059 52.037 0.036 0.000 0.836 7 A CB 0.000 19.025 19.000 0.042 0.000 0.831 8 V N 2.828 122.726 119.914 -0.027 0.000 2.407 8 V HA 0.452 4.572 4.120 -0.000 0.000 0.278 8 V C -1.785 174.235 176.094 -0.123 0.000 1.037 8 V CA -1.231 60.978 62.300 -0.152 0.000 0.900 8 V CB 0.945 32.711 31.823 -0.096 0.000 0.983 8 V HN 0.769 nan 8.190 nan 0.000 0.459 9 P HA 0.325 nan 4.420 nan 0.000 0.271 9 P C -0.265 177.042 177.300 0.011 0.000 1.218 9 P CA -0.168 62.878 63.100 -0.090 0.000 0.780 9 P CB 0.522 32.155 31.700 -0.111 0.000 0.901 10 A N 4.332 127.151 122.820 -0.002 0.000 2.524 10 A HA 0.330 4.650 4.320 -0.000 0.000 0.250 10 A C -1.661 175.852 177.584 -0.119 0.000 1.078 10 A CA -0.682 51.330 52.037 -0.040 0.000 0.761 10 A CB -0.983 17.990 19.000 -0.044 0.000 1.012 10 A HN 0.435 nan 8.150 nan 0.000 0.500 11 P HA 0.171 nan 4.420 nan 0.000 0.278 11 P C -0.898 176.184 177.300 -0.362 0.000 1.258 11 P CA -0.703 62.079 63.100 -0.529 0.000 0.811 11 P CB 0.824 31.834 31.700 -1.149 0.000 1.063 12 N N 1.387 119.904 118.700 -0.304 0.000 2.589 12 N HA 0.038 4.778 4.740 -0.000 0.000 0.232 12 N C 0.818 176.030 175.510 -0.497 0.000 1.015 12 N CA -0.059 52.827 53.050 -0.273 0.000 0.931 12 N CB 0.342 38.764 38.487 -0.107 0.000 1.150 12 N HN 0.237 nan 8.380 nan 0.000 0.512 13 Q N 1.534 120.889 119.800 -0.742 0.000 2.515 13 Q HA -0.123 4.216 4.340 -0.000 0.000 0.215 13 Q C -0.248 175.326 176.000 -0.711 0.000 0.983 13 Q CA 1.032 56.068 55.803 -1.278 0.000 0.905 13 Q CB 0.106 28.247 28.738 -0.995 0.000 0.961 13 Q HN 0.636 nan 8.270 nan 0.000 0.503 14 Q N 0.309 119.879 119.800 -0.382 0.000 3.316 14 Q HA 0.198 4.538 4.340 -0.000 0.000 0.295 14 Q C -2.485 173.428 176.000 -0.147 0.000 0.805 14 Q CA -1.197 54.482 55.803 -0.207 0.000 0.914 14 Q CB 1.397 30.037 28.738 -0.164 0.000 1.514 14 Q HN 0.104 nan 8.270 nan 0.000 0.387 15 P HA -0.061 nan 4.420 nan 0.000 0.268 15 P C -0.335 176.912 177.300 -0.089 0.000 1.205 15 P CA 0.020 63.093 63.100 -0.044 0.000 0.771 15 P CB 1.056 32.727 31.700 -0.048 0.000 0.858 16 E N 1.669 121.784 120.200 -0.143 0.000 2.373 16 E HA 0.170 4.520 4.350 -0.000 0.000 0.267 16 E C -0.748 175.521 176.600 -0.552 0.000 1.032 16 E CA -0.585 55.581 56.400 -0.390 0.000 0.889 16 E CB 0.664 30.023 29.700 -0.567 0.000 0.984 16 E HN 0.156 nan 8.360 nan 0.000 0.425 17 V N 6.305 125.948 119.914 -0.452 0.000 2.364 17 V HA 0.095 4.215 4.120 -0.000 0.000 0.272 17 V C 0.135 176.006 176.094 -0.371 0.000 1.036 17 V CA -0.014 62.101 62.300 -0.308 0.000 0.880 17 V CB 0.591 32.313 31.823 -0.169 0.000 0.991 17 V HN 0.703 nan 8.190 nan 0.000 0.460 18 F N 1.934 121.911 119.950 0.046 0.000 2.656 18 F HA 0.208 4.735 4.527 -0.001 0.000 0.291 18 F C 1.006 176.724 175.800 -0.137 0.000 1.122 18 F CA 0.025 58.021 58.000 -0.005 0.000 1.427 18 F CB 0.346 39.394 39.000 0.079 0.000 1.125 18 F HN 0.388 nan 8.300 nan 0.000 0.583 19 C N 1.655 120.963 119.300 0.014 0.000 2.397 19 C HA 0.416 4.876 4.460 -0.000 0.000 0.325 19 C C 0.233 175.058 174.990 -0.275 0.000 1.201 19 C CA -0.887 57.905 59.018 -0.376 0.000 1.377 19 C CB 0.620 28.082 27.740 -0.464 0.000 2.038 19 C HN 0.521 nan 8.230 nan 0.000 0.457 20 N N 1.035 119.537 118.700 -0.331 0.000 2.381 20 N HA 0.090 4.830 4.740 -0.000 0.000 0.257 20 N C -0.482 174.976 175.510 -0.087 0.000 1.409 20 N CA -0.264 52.685 53.050 -0.168 0.000 0.836 20 N CB 0.058 38.450 38.487 -0.158 0.000 1.384 20 N HN 0.801 nan 8.380 nan 0.000 0.490 21 Q N -0.158 119.621 119.800 -0.036 0.000 2.572 21 Q HA 0.554 4.893 4.340 -0.000 0.000 0.284 21 Q C -0.375 175.963 176.000 0.563 0.000 1.091 21 Q CA -1.064 54.886 55.803 0.245 0.000 0.840 21 Q CB 2.066 30.980 28.738 0.294 0.000 1.433 21 Q HN 0.124 nan 8.270 nan 0.000 0.471 22 I N 1.140 121.995 120.570 0.475 0.000 2.575 22 I HA 0.100 4.270 4.170 -0.000 0.000 0.285 22 I C -0.606 175.748 176.117 0.396 0.000 1.085 22 I CA 0.068 61.595 61.300 0.378 0.000 1.403 22 I CB 0.322 38.443 38.000 0.201 0.000 1.409 22 I HN 0.401 nan 8.210 nan 0.000 0.557 23 F N 7.741 127.677 119.950 -0.023 0.000 2.347 23 F HA 0.593 5.120 4.527 -0.001 0.000 0.366 23 F C -0.530 175.089 175.800 -0.301 0.000 1.107 23 F CA -0.376 57.376 58.000 -0.412 0.000 1.058 23 F CB 0.415 39.049 39.000 -0.610 0.000 1.236 23 F HN 0.156 nan 8.300 nan 0.000 0.456 24 I N 5.375 125.565 120.570 -0.634 0.000 2.619 24 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 24 I C -0.315 175.478 176.117 -0.540 0.000 1.100 24 I CA -1.074 59.903 61.300 -0.539 0.000 1.043 24 I CB 1.868 39.526 38.000 -0.571 0.000 1.239 24 I HN 0.473 nan 8.210 nan 0.000 0.420 25 N N 4.932 123.380 118.700 -0.420 0.000 2.716 25 N HA -0.248 4.492 4.740 -0.000 0.000 0.250 25 N C 0.002 175.258 175.510 -0.424 0.000 1.033 25 N CA 1.258 54.123 53.050 -0.308 0.000 0.727 25 N CB -1.007 37.384 38.487 -0.160 0.000 0.950 25 N HN 0.927 nan 8.380 nan 0.000 0.541 26 N N -1.495 116.722 118.700 -0.805 0.000 2.708 26 N HA -0.239 4.501 4.740 -0.000 0.000 0.251 26 N C -0.932 174.114 175.510 -0.772 0.000 1.123 26 N CA 1.156 53.687 53.050 -0.865 0.000 0.739 26 N CB -0.425 37.915 38.487 -0.246 0.000 1.113 26 N HN 0.614 nan 8.380 nan 0.000 0.561 27 E N -0.759 118.933 120.200 -0.846 0.000 2.317 27 E HA 0.334 4.684 4.350 -0.000 0.000 0.270 27 E C -1.008 175.354 176.600 -0.397 0.000 0.885 27 E CA -0.679 55.451 56.400 -0.450 0.000 0.760 27 E CB 1.115 30.708 29.700 -0.178 0.000 1.227 27 E HN 0.130 nan 8.360 nan 0.000 0.434 28 W N 2.215 123.522 121.300 0.011 0.000 2.338 28 W HA 0.273 4.933 4.660 -0.000 0.000 0.307 28 W C 0.454 176.999 176.519 0.043 0.000 1.167 28 W CA -0.250 57.167 57.345 0.119 0.000 1.208 28 W CB 0.689 30.216 29.460 0.111 0.000 1.228 28 W HN 0.300 nan 8.180 nan 0.000 0.499 29 H N 1.735 120.950 119.070 0.242 0.000 2.731 29 H HA 0.273 4.829 4.556 -0.000 0.000 0.368 29 H C -0.567 174.853 175.328 0.154 0.000 1.168 29 H CA -1.089 55.043 56.048 0.141 0.000 1.181 29 H CB 2.129 31.929 29.762 0.063 0.000 1.743 29 H HN 0.253 nan 8.280 nan 0.000 0.547 30 D N 0.343 120.876 120.400 0.220 0.000 2.388 30 D HA 0.335 4.975 4.640 -0.000 0.000 0.254 30 D C 0.165 176.553 176.300 0.148 0.000 1.111 30 D CA -0.534 53.559 54.000 0.154 0.000 0.993 30 D CB 1.529 42.389 40.800 0.099 0.000 1.118 30 D HN 0.582 nan 8.370 nan 0.000 0.502 31 A N 0.373 123.264 122.820 0.117 0.000 2.425 31 A HA 0.152 4.472 4.320 -0.000 0.000 0.242 31 A C 1.476 179.114 177.584 0.089 0.000 1.077 31 A CA -0.422 51.676 52.037 0.102 0.000 0.781 31 A CB 0.354 19.411 19.000 0.096 0.000 1.020 31 A HN 0.391 nan 8.150 nan 0.000 0.494 32 V N 2.030 121.991 119.914 0.077 0.000 2.343 32 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 32 V C 2.647 178.778 176.094 0.060 0.000 1.051 32 V CA 2.679 65.019 62.300 0.067 0.000 1.036 32 V CB -0.914 30.942 31.823 0.056 0.000 0.654 32 V HN 1.108 nan 8.190 nan 0.000 0.451 33 S N -0.794 114.943 115.700 0.062 0.000 2.603 33 S HA -0.106 4.363 4.470 -0.000 0.000 0.229 33 S C 1.263 175.900 174.600 0.061 0.000 0.972 33 S CA 0.199 58.434 58.200 0.060 0.000 0.935 33 S CB -0.312 62.927 63.200 0.065 0.000 0.769 33 S HN 0.511 nan 8.310 nan 0.000 0.536 34 R N 0.101 120.640 120.500 0.065 0.000 3.946 34 R HA -0.122 4.218 4.340 -0.000 0.000 0.329 34 R C -0.558 175.781 176.300 0.064 0.000 1.209 34 R CA 1.059 57.196 56.100 0.061 0.000 0.909 34 R CB -2.066 28.264 30.300 0.050 0.000 1.355 34 R HN 0.625 nan 8.270 nan 0.000 0.539 35 K N 0.340 120.787 120.400 0.078 0.000 2.107 35 K HA 0.334 4.654 4.320 -0.000 0.000 0.251 35 K C 1.053 177.714 176.600 0.103 0.000 1.012 35 K CA 0.485 56.828 56.287 0.093 0.000 0.920 35 K CB 0.783 33.352 32.500 0.115 0.000 1.033 35 K HN 0.283 nan 8.250 nan 0.000 0.478 36 T N -2.094 112.531 114.554 0.118 0.000 2.618 36 T HA 0.711 5.061 4.350 -0.000 0.000 0.293 36 T C -1.200 173.642 174.700 0.237 0.000 1.093 36 T CA -1.015 61.149 62.100 0.107 0.000 1.061 36 T CB 0.758 69.620 68.868 -0.010 0.000 1.498 36 T HN 0.569 nan 8.240 nan 0.000 0.494 37 F N -1.907 118.049 119.950 0.010 0.000 2.678 37 F HA 0.817 5.343 4.527 -0.000 0.000 0.308 37 F C -3.360 172.461 175.800 0.034 0.000 1.118 37 F CA -2.212 55.821 58.000 0.054 0.000 0.959 37 F CB 1.118 40.152 39.000 0.057 0.000 1.305 37 F HN 0.521 nan 8.300 nan 0.000 0.443 38 P HA 0.252 nan 4.420 nan 0.000 0.286 38 P C -1.089 176.261 177.300 0.083 0.000 1.261 38 P CA -0.221 62.883 63.100 0.007 0.000 0.821 38 P CB 2.089 33.831 31.700 0.071 0.000 1.013 39 T N 1.524 116.068 114.554 -0.017 0.000 2.786 39 T HA 0.379 4.728 4.350 -0.000 0.000 0.283 39 T C -0.469 174.246 174.700 0.025 0.000 0.992 39 T CA -0.508 61.618 62.100 0.042 0.000 0.954 39 T CB 0.209 69.075 68.868 -0.004 0.000 0.934 39 T HN 0.062 nan 8.240 nan 0.000 0.440 40 V N 5.784 125.726 119.914 0.046 0.000 2.644 40 V HA 0.379 4.499 4.120 -0.000 0.000 0.295 40 V C 0.736 176.844 176.094 0.022 0.000 1.053 40 V CA -0.915 61.408 62.300 0.038 0.000 0.987 40 V CB 1.422 33.289 31.823 0.073 0.000 1.006 40 V HN 0.939 nan 8.190 nan 0.000 0.472 41 N N 5.310 124.016 118.700 0.010 0.000 2.437 41 N HA 0.243 4.983 4.740 -0.000 0.000 0.243 41 N C -1.485 174.015 175.510 -0.015 0.000 1.041 41 N CA -1.576 51.473 53.050 -0.002 0.000 0.940 41 N CB 1.344 39.832 38.487 0.002 0.000 1.133 41 N HN 0.426 nan 8.380 nan 0.000 0.506 42 P HA -0.111 nan 4.420 nan 0.000 0.226 42 P C 0.496 177.666 177.300 -0.217 0.000 1.146 42 P CA 1.027 64.129 63.100 0.003 0.000 0.773 42 P CB 0.382 32.066 31.700 -0.026 0.000 0.772 43 S N -0.761 114.853 115.700 -0.143 0.000 2.446 43 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 43 S C 1.800 176.410 174.600 0.017 0.000 1.016 43 S CA 1.652 59.821 58.200 -0.052 0.000 0.943 43 S CB -0.447 62.808 63.200 0.092 0.000 0.786 43 S HN 0.443 nan 8.310 nan 0.000 0.508 44 T N -3.208 111.308 114.554 -0.064 0.000 2.959 44 T HA 0.470 4.820 4.350 -0.000 0.000 0.254 44 T C 1.510 176.117 174.700 -0.155 0.000 1.003 44 T CA 0.788 62.844 62.100 -0.073 0.000 0.950 44 T CB 0.466 69.317 68.868 -0.029 0.000 1.090 44 T HN 0.464 nan 8.240 nan 0.000 0.503 45 G N 1.539 110.217 108.800 -0.203 0.000 2.179 45 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.260 45 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.260 45 G C -0.129 174.731 174.900 -0.067 0.000 0.977 45 G CA 0.088 45.069 45.100 -0.199 0.000 0.641 45 G HN 0.589 nan 8.290 nan 0.000 0.533 46 E N 0.086 120.254 120.200 -0.053 0.000 2.349 46 E HA 0.489 4.838 4.350 -0.000 0.000 0.265 46 E C 0.598 177.190 176.600 -0.013 0.000 1.064 46 E CA -0.627 55.756 56.400 -0.028 0.000 0.886 46 E CB 1.590 31.272 29.700 -0.030 0.000 1.036 46 E HN 0.163 nan 8.360 nan 0.000 0.413 47 V N 4.218 124.126 119.914 -0.010 0.000 2.470 47 V HA 0.024 4.144 4.120 -0.000 0.000 0.276 47 V C 1.715 177.793 176.094 -0.026 0.000 1.040 47 V CA 0.153 62.447 62.300 -0.010 0.000 1.008 47 V CB 0.289 32.108 31.823 -0.007 0.000 0.990 47 V HN 0.598 nan 8.190 nan 0.000 0.477 48 I N 4.199 124.751 120.570 -0.030 0.000 2.233 48 I HA -0.017 4.153 4.170 -0.000 0.000 0.243 48 I C 1.014 177.091 176.117 -0.066 0.000 1.093 48 I CA 1.321 62.593 61.300 -0.045 0.000 1.380 48 I CB 0.025 38.000 38.000 -0.042 0.000 1.067 48 I HN 0.880 nan 8.210 nan 0.000 0.413 49 C N -2.116 117.137 119.300 -0.079 0.000 3.056 49 C HA 0.455 4.915 4.460 -0.000 0.000 0.336 49 C C -0.937 173.968 174.990 -0.141 0.000 1.356 49 C CA -1.221 57.736 59.018 -0.101 0.000 1.216 49 C CB 0.971 28.643 27.740 -0.113 0.000 1.391 49 C HN 0.231 nan 8.230 nan 0.000 0.445 50 Q N 0.318 120.025 119.800 -0.154 0.000 2.230 50 Q HA 0.837 5.176 4.340 -0.000 0.000 0.248 50 Q C -0.753 175.063 176.000 -0.307 0.000 0.915 50 Q CA -0.261 55.414 55.803 -0.213 0.000 0.900 50 Q CB 1.635 30.295 28.738 -0.130 0.000 1.229 50 Q HN 0.872 nan 8.270 nan 0.000 0.439 51 V N 1.717 121.310 119.914 -0.534 0.000 2.841 51 V HA 0.690 4.810 4.120 -0.000 0.000 0.310 51 V C -0.788 175.058 176.094 -0.414 0.000 1.090 51 V CA -1.211 60.758 62.300 -0.552 0.000 0.930 51 V CB 1.866 33.197 31.823 -0.819 0.000 1.014 51 V HN 0.950 nan 8.190 nan 0.000 0.425 52 A N 2.561 125.317 122.820 -0.106 0.000 2.566 52 A HA 0.188 4.507 4.320 -0.000 0.000 0.245 52 A C 0.354 178.056 177.584 0.197 0.000 1.056 52 A CA 0.385 52.457 52.037 0.058 0.000 0.757 52 A CB -0.147 18.922 19.000 0.115 0.000 0.979 52 A HN 0.902 nan 8.150 nan 0.000 0.508 53 E N 3.054 123.385 120.200 0.218 0.000 2.014 53 E HA 0.401 4.751 4.350 -0.000 0.000 0.275 53 E C 0.624 177.274 176.600 0.085 0.000 0.997 53 E CA -0.278 56.240 56.400 0.196 0.000 0.804 53 E CB 0.398 30.205 29.700 0.178 0.000 1.090 53 E HN 0.795 nan 8.360 nan 0.000 0.401 54 G N 3.439 112.273 108.800 0.057 0.000 2.539 54 G HA2 0.139 4.099 3.960 -0.000 0.000 0.258 54 G HA3 0.139 4.099 3.960 -0.000 0.000 0.258 54 G C -0.407 174.512 174.900 0.030 0.000 1.202 54 G CA -0.213 44.918 45.100 0.050 0.000 0.851 54 G HN 0.602 nan 8.290 nan 0.000 0.556 55 D N -1.031 119.397 120.400 0.046 0.000 2.812 55 D HA 0.228 4.868 4.640 -0.000 0.000 0.318 55 D C 1.096 177.425 176.300 0.049 0.000 1.234 55 D CA -0.797 53.233 54.000 0.050 0.000 0.989 55 D CB 1.558 42.393 40.800 0.057 0.000 1.442 55 D HN 0.132 nan 8.370 nan 0.000 0.537 56 K N 0.566 120.993 120.400 0.046 0.000 2.032 56 K HA -0.213 4.107 4.320 -0.000 0.000 0.218 56 K C 1.602 178.229 176.600 0.045 0.000 1.054 56 K CA 1.763 58.076 56.287 0.042 0.000 0.941 56 K CB -0.267 32.246 32.500 0.022 0.000 0.720 56 K HN 0.434 nan 8.250 nan 0.000 0.449 57 E N 0.149 120.372 120.200 0.038 0.000 2.118 57 E HA -0.187 4.162 4.350 -0.000 0.000 0.195 57 E C 1.735 178.357 176.600 0.038 0.000 0.992 57 E CA 1.270 57.692 56.400 0.037 0.000 0.804 57 E CB -0.051 29.670 29.700 0.035 0.000 0.741 57 E HN 0.389 nan 8.360 nan 0.000 0.458 58 D N 0.226 120.649 120.400 0.038 0.000 2.149 58 D HA -0.091 4.549 4.640 -0.000 0.000 0.201 58 D C 2.128 178.438 176.300 0.017 0.000 0.972 58 D CA 0.648 54.662 54.000 0.023 0.000 0.835 58 D CB 0.079 40.901 40.800 0.036 0.000 0.966 58 D HN 0.040 nan 8.370 nan 0.000 0.476 59 V N 2.091 122.032 119.914 0.045 0.000 2.295 59 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 59 V C 1.996 178.138 176.094 0.079 0.000 1.049 59 V CA 1.679 64.015 62.300 0.060 0.000 1.024 59 V CB -0.373 31.509 31.823 0.099 0.000 0.648 59 V HN 0.070 nan 8.190 nan 0.000 0.447 60 D N -0.069 120.405 120.400 0.122 0.000 2.149 60 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 60 D C 2.230 178.573 176.300 0.072 0.000 0.990 60 D CA 1.256 55.359 54.000 0.172 0.000 0.839 60 D CB -0.167 40.708 40.800 0.124 0.000 0.948 60 D HN 0.445 nan 8.370 nan 0.000 0.460 61 K N 0.646 121.056 120.400 0.017 0.000 2.057 61 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 61 K C 2.186 178.740 176.600 -0.076 0.000 1.049 61 K CA 1.143 57.408 56.287 -0.036 0.000 0.931 61 K CB -0.060 32.394 32.500 -0.076 0.000 0.714 61 K HN 0.016 nan 8.250 nan 0.000 0.440 62 A N 0.980 123.752 122.820 -0.079 0.000 1.858 62 A HA -0.125 4.194 4.320 -0.000 0.000 0.216 62 A C 2.384 179.912 177.584 -0.092 0.000 1.190 62 A CA 1.456 53.434 52.037 -0.098 0.000 0.617 62 A CB -0.763 18.194 19.000 -0.072 0.000 0.827 62 A HN 0.065 nan 8.150 nan 0.000 0.443 63 V N 0.353 120.206 119.914 -0.103 0.000 2.287 63 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 63 V C 2.481 178.513 176.094 -0.104 0.000 1.053 63 V CA 2.480 64.674 62.300 -0.176 0.000 1.027 63 V CB -0.756 30.798 31.823 -0.448 0.000 0.646 63 V HN 0.550 nan 8.190 nan 0.000 0.447 64 K N 0.057 120.429 120.400 -0.046 0.000 2.103 64 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 64 K C 2.290 178.882 176.600 -0.013 0.000 1.048 64 K CA 1.485 57.768 56.287 -0.007 0.000 0.930 64 K CB -0.418 32.093 32.500 0.018 0.000 0.716 64 K HN 0.498 nan 8.250 nan 0.000 0.444 65 A N 1.462 124.257 122.820 -0.041 0.000 1.898 65 A HA -0.103 4.216 4.320 -0.000 0.000 0.216 65 A C 2.356 179.920 177.584 -0.034 0.000 1.181 65 A CA 1.790 53.797 52.037 -0.049 0.000 0.620 65 A CB -0.610 18.331 19.000 -0.098 0.000 0.819 65 A HN 0.334 nan 8.150 nan 0.000 0.442 66 A N -0.048 122.745 122.820 -0.045 0.000 1.855 66 A HA -0.129 4.190 4.320 -0.000 0.000 0.215 66 A C 2.174 179.788 177.584 0.050 0.000 1.191 66 A CA 2.114 54.135 52.037 -0.027 0.000 0.613 66 A CB -0.505 18.455 19.000 -0.067 0.000 0.829 66 A HN 0.459 nan 8.150 nan 0.000 0.442 67 R N 0.377 120.902 120.500 0.040 0.000 2.103 67 R HA -0.118 4.222 4.340 -0.000 0.000 0.242 67 R C 2.069 178.460 176.300 0.152 0.000 1.142 67 R CA 2.163 58.332 56.100 0.115 0.000 0.960 67 R CB -0.944 29.397 30.300 0.068 0.000 0.858 67 R HN 0.411 nan 8.270 nan 0.000 0.439 68 A N -0.019 122.855 122.820 0.089 0.000 1.933 68 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 68 A C 2.314 179.959 177.584 0.102 0.000 1.175 68 A CA 1.700 53.784 52.037 0.078 0.000 0.628 68 A CB -0.931 18.094 19.000 0.042 0.000 0.814 68 A HN 0.497 nan 8.150 nan 0.000 0.444 69 A N -2.270 120.620 122.820 0.115 0.000 2.119 69 A HA 0.148 4.467 4.320 -0.000 0.000 0.217 69 A C 1.653 179.411 177.584 0.290 0.000 1.153 69 A CA 1.072 53.197 52.037 0.146 0.000 0.692 69 A CB -0.490 18.548 19.000 0.064 0.000 0.799 69 A HN 0.580 nan 8.150 nan 0.000 0.458 70 F N 0.337 120.364 119.950 0.128 0.000 2.727 70 F HA 0.226 4.753 4.527 -0.000 0.000 0.302 70 F C 0.655 176.527 175.800 0.120 0.000 1.097 70 F CA -0.356 57.747 58.000 0.172 0.000 1.330 70 F CB 0.123 39.208 39.000 0.142 0.000 1.084 70 F HN 0.083 nan 8.300 nan 0.000 0.578 71 Q N 1.605 121.432 119.800 0.045 0.000 2.361 71 Q HA 0.035 4.375 4.340 -0.000 0.000 0.276 71 Q C -0.210 175.723 176.000 -0.112 0.000 1.022 71 Q CA -0.203 55.577 55.803 -0.038 0.000 0.898 71 Q CB 0.858 29.609 28.738 0.021 0.000 1.246 71 Q HN 0.254 nan 8.270 nan 0.000 0.410 72 L N 1.832 122.973 121.223 -0.136 0.000 2.628 72 L HA 0.100 4.439 4.340 -0.000 0.000 0.274 72 L C 1.206 178.037 176.870 -0.064 0.000 1.209 72 L CA 2.173 56.938 54.840 -0.125 0.000 0.930 72 L CB -0.124 41.881 42.059 -0.090 0.000 1.183 72 L HN 0.922 nan 8.230 nan 0.000 0.492 73 G N 1.973 110.739 108.800 -0.058 0.000 2.194 73 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.236 73 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.236 73 G C 0.380 175.280 174.900 -0.000 0.000 0.987 73 G CA 0.337 45.422 45.100 -0.025 0.000 0.635 73 G HN 1.125 nan 8.290 nan 0.000 0.520 74 S N 0.615 116.323 115.700 0.012 0.000 2.596 74 S HA 0.502 4.972 4.470 -0.000 0.000 0.260 74 S C -0.609 174.044 174.600 0.088 0.000 1.336 74 S CA -0.023 58.214 58.200 0.062 0.000 0.993 74 S CB 1.582 64.844 63.200 0.104 0.000 0.923 74 S HN 0.019 nan 8.310 nan 0.000 0.567 75 P HA -0.043 nan 4.420 nan 0.000 0.218 75 P C 1.185 178.623 177.300 0.229 0.000 1.149 75 P CA 0.977 64.159 63.100 0.137 0.000 0.817 75 P CB -0.071 31.709 31.700 0.133 0.000 0.785 76 W N 0.150 121.482 121.300 0.054 0.000 2.436 76 W HA -0.082 4.578 4.660 -0.000 0.000 0.284 76 W C 1.563 178.124 176.519 0.070 0.000 1.225 76 W CA 0.408 57.804 57.345 0.086 0.000 1.271 76 W CB 0.030 29.568 29.460 0.131 0.000 1.114 76 W HN -0.163 nan 8.180 nan 0.000 0.559 77 R N 0.424 120.963 120.500 0.065 0.000 2.093 77 R HA -0.016 4.324 4.340 -0.000 0.000 0.224 77 R C 2.081 178.319 176.300 -0.104 0.000 1.101 77 R CA 0.952 56.989 56.100 -0.105 0.000 0.979 77 R CB -0.690 29.535 30.300 -0.126 0.000 0.877 77 R HN 0.291 nan 8.270 nan 0.000 0.441 78 R N -0.030 120.443 120.500 -0.046 0.000 2.193 78 R HA 0.135 4.474 4.340 -0.000 0.000 0.213 78 R C 1.180 177.449 176.300 -0.051 0.000 1.055 78 R CA -0.124 55.950 56.100 -0.043 0.000 0.995 78 R CB -0.117 30.170 30.300 -0.021 0.000 0.893 78 R HN 0.121 nan 8.270 nan 0.000 0.459 79 M N 2.342 121.912 119.600 -0.049 0.000 2.248 79 M HA -0.084 4.396 4.480 -0.000 0.000 0.343 79 M C -0.690 175.572 176.300 -0.064 0.000 1.243 79 M CA 0.566 55.841 55.300 -0.041 0.000 1.025 79 M CB 0.470 33.072 32.600 0.003 0.000 1.759 79 M HN -0.041 nan 8.290 nan 0.000 0.452 80 D N 4.000 124.386 120.400 -0.024 0.000 2.414 80 D HA 0.107 4.747 4.640 -0.000 0.000 0.242 80 D C 0.779 177.080 176.300 0.002 0.000 1.129 80 D CA 0.463 54.459 54.000 -0.007 0.000 0.885 80 D CB 1.155 41.962 40.800 0.012 0.000 1.198 80 D HN 0.761 nan 8.370 nan 0.000 0.437 81 A N 2.287 125.098 122.820 -0.015 0.000 1.940 81 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 81 A C 2.091 179.686 177.584 0.018 0.000 1.176 81 A CA 2.053 54.081 52.037 -0.016 0.000 0.631 81 A CB -0.517 18.491 19.000 0.013 0.000 0.814 81 A HN 0.584 nan 8.150 nan 0.000 0.446 82 S N -1.265 114.458 115.700 0.038 0.000 2.423 82 S HA -0.221 4.249 4.470 -0.000 0.000 0.231 82 S C 1.827 176.460 174.600 0.056 0.000 1.014 82 S CA 1.511 59.737 58.200 0.043 0.000 0.965 82 S CB -0.645 62.581 63.200 0.044 0.000 0.785 82 S HN 0.726 nan 8.310 nan 0.000 0.495 83 H N 1.929 120.984 119.070 -0.026 0.000 2.395 83 H HA 0.211 4.767 4.556 -0.000 0.000 0.299 83 H C 2.304 177.614 175.328 -0.031 0.000 1.070 83 H CA 1.580 57.610 56.048 -0.030 0.000 1.356 83 H CB -0.103 29.639 29.762 -0.034 0.000 1.401 83 H HN 0.351 nan 8.280 nan 0.000 0.524 84 R N -0.620 119.850 120.500 -0.050 0.000 2.105 84 R HA -0.087 4.253 4.340 -0.000 0.000 0.239 84 R C 2.521 178.813 176.300 -0.012 0.000 1.135 84 R CA 1.068 57.142 56.100 -0.044 0.000 0.967 84 R CB -0.591 29.669 30.300 -0.067 0.000 0.861 84 R HN 0.419 nan 8.270 nan 0.000 0.442 85 G N 1.364 110.161 108.800 -0.004 0.000 2.418 85 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.217 85 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.217 85 G C 1.445 176.331 174.900 -0.023 0.000 1.158 85 G CA 0.220 45.333 45.100 0.021 0.000 0.771 85 G HN 0.119 nan 8.290 nan 0.000 0.545 86 R N 0.277 120.715 120.500 -0.104 0.000 2.091 86 R HA 0.025 4.365 4.340 -0.000 0.000 0.238 86 R C 2.638 178.831 176.300 -0.180 0.000 1.136 86 R CA 0.697 56.709 56.100 -0.147 0.000 0.959 86 R CB -1.145 29.020 30.300 -0.224 0.000 0.856 86 R HN 0.410 nan 8.270 nan 0.000 0.437 87 L N 0.330 121.368 121.223 -0.309 0.000 2.046 87 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 87 L C 2.509 179.388 176.870 0.016 0.000 1.077 87 L CA 1.066 55.691 54.840 -0.358 0.000 0.747 87 L CB -0.516 41.006 42.059 -0.894 0.000 0.896 87 L HN 0.125 nan 8.230 nan 0.000 0.432 88 L N -0.326 120.988 121.223 0.152 0.000 2.046 88 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 88 L C 2.426 179.400 176.870 0.173 0.000 1.077 88 L CA 1.117 56.122 54.840 0.276 0.000 0.747 88 L CB -0.598 41.609 42.059 0.248 0.000 0.896 88 L HN 0.360 nan 8.230 nan 0.000 0.432 89 N N -0.116 118.643 118.700 0.099 0.000 2.223 89 N HA -0.203 4.537 4.740 -0.000 0.000 0.185 89 N C 1.970 177.524 175.510 0.074 0.000 1.016 89 N CA 0.984 54.079 53.050 0.075 0.000 0.863 89 N CB -0.144 38.367 38.487 0.039 0.000 0.983 89 N HN 0.189 nan 8.380 nan 0.000 0.429 90 R N 1.534 122.073 120.500 0.066 0.000 2.066 90 R HA -0.017 4.322 4.340 -0.000 0.000 0.232 90 R C 2.097 178.463 176.300 0.109 0.000 1.131 90 R CA 0.862 57.003 56.100 0.067 0.000 0.955 90 R CB -1.037 29.282 30.300 0.032 0.000 0.851 90 R HN 0.166 nan 8.270 nan 0.000 0.432 91 L N 0.350 121.677 121.223 0.173 0.000 2.083 91 L HA 0.027 4.367 4.340 -0.000 0.000 0.209 91 L C 2.052 178.988 176.870 0.110 0.000 1.083 91 L CA 2.204 57.142 54.840 0.164 0.000 0.752 91 L CB -0.904 41.279 42.059 0.206 0.000 0.899 91 L HN 0.276 nan 8.230 nan 0.000 0.433 92 A N -0.790 122.097 122.820 0.111 0.000 1.898 92 A HA -0.192 4.127 4.320 -0.000 0.000 0.216 92 A C 1.944 179.577 177.584 0.081 0.000 1.181 92 A CA 1.734 53.827 52.037 0.094 0.000 0.620 92 A CB -0.818 18.241 19.000 0.098 0.000 0.819 92 A HN 0.506 nan 8.150 nan 0.000 0.442 93 D N 0.132 120.578 120.400 0.077 0.000 2.144 93 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 93 D C 1.889 178.234 176.300 0.075 0.000 0.984 93 D CA 0.910 54.952 54.000 0.069 0.000 0.834 93 D CB -0.290 40.546 40.800 0.060 0.000 0.955 93 D HN 0.461 nan 8.370 nan 0.000 0.465 94 L N 0.147 121.419 121.223 0.080 0.000 2.027 94 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 94 L C 2.441 179.377 176.870 0.110 0.000 1.074 94 L CA 0.740 55.630 54.840 0.085 0.000 0.745 94 L CB -0.326 41.775 42.059 0.071 0.000 0.898 94 L HN 0.027 nan 8.230 nan 0.000 0.433 95 I N -0.020 120.615 120.570 0.107 0.000 2.286 95 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 95 I C 2.594 178.780 176.117 0.115 0.000 1.115 95 I CA 1.398 62.774 61.300 0.128 0.000 1.392 95 I CB -0.195 37.864 38.000 0.098 0.000 1.065 95 I HN 0.352 nan 8.210 nan 0.000 0.418 96 E N 1.121 121.373 120.200 0.087 0.000 2.150 96 E HA -0.251 4.098 4.350 -0.000 0.000 0.193 96 E C 2.374 179.034 176.600 0.101 0.000 0.985 96 E CA 0.820 57.262 56.400 0.070 0.000 0.814 96 E CB 0.010 29.744 29.700 0.057 0.000 0.752 96 E HN 0.275 nan 8.360 nan 0.000 0.466 97 R N 0.405 120.971 120.500 0.109 0.000 2.073 97 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 97 R C 0.426 176.817 176.300 0.152 0.000 1.134 97 R CA 1.782 57.952 56.100 0.116 0.000 0.952 97 R CB -0.025 30.334 30.300 0.098 0.000 0.850 97 R HN 0.125 nan 8.270 nan 0.000 0.433 98 D N 0.185 120.698 120.400 0.190 0.000 2.434 98 D HA 0.013 4.652 4.640 -0.000 0.000 0.232 98 D C 1.102 177.570 176.300 0.280 0.000 1.166 98 D CA 0.038 54.193 54.000 0.258 0.000 0.830 98 D CB 0.175 41.199 40.800 0.374 0.000 0.960 98 D HN 0.256 nan 8.370 nan 0.000 0.497 99 R N 0.241 120.873 120.500 0.220 0.000 2.070 99 R HA -0.124 4.216 4.340 -0.000 0.000 0.233 99 R C 1.489 177.984 176.300 0.326 0.000 1.137 99 R CA 1.513 57.719 56.100 0.177 0.000 0.945 99 R CB -0.104 30.222 30.300 0.044 0.000 0.845 99 R HN -0.013 nan 8.270 nan 0.000 0.430 100 T N 0.152 114.991 114.554 0.474 0.000 2.759 100 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 100 T C 1.331 176.294 174.700 0.438 0.000 1.042 100 T CA 1.625 64.049 62.100 0.539 0.000 1.140 100 T CB -0.423 68.672 68.868 0.378 0.000 0.864 100 T HN 0.424 nan 8.240 nan 0.000 0.455 101 Y N 1.455 121.882 120.300 0.211 0.000 2.153 101 Y HA 0.042 4.592 4.550 -0.000 0.000 0.289 101 Y C 2.004 177.970 175.900 0.109 0.000 1.127 101 Y CA 0.965 59.135 58.100 0.117 0.000 1.131 101 Y CB -0.543 37.932 38.460 0.025 0.000 0.995 101 Y HN 0.082 nan 8.280 nan 0.000 0.505 102 L N 0.069 121.316 121.223 0.039 0.000 2.083 102 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 102 L C 2.786 179.659 176.870 0.005 0.000 1.083 102 L CA 1.233 56.037 54.840 -0.059 0.000 0.752 102 L CB -0.901 41.234 42.059 0.126 0.000 0.899 102 L HN 0.407 nan 8.230 nan 0.000 0.433 103 A N -0.190 122.717 122.820 0.146 0.000 1.902 103 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 103 A C 2.499 180.264 177.584 0.301 0.000 1.181 103 A CA 1.787 53.938 52.037 0.191 0.000 0.623 103 A CB -0.677 18.476 19.000 0.255 0.000 0.818 103 A HN 0.424 nan 8.150 nan 0.000 0.443 104 A N -0.464 122.585 122.820 0.382 0.000 1.841 104 A HA -0.015 4.304 4.320 -0.000 0.000 0.214 104 A C 2.115 179.793 177.584 0.157 0.000 1.195 104 A CA 1.712 53.975 52.037 0.377 0.000 0.611 104 A CB -0.765 18.352 19.000 0.195 0.000 0.835 104 A HN 0.710 nan 8.150 nan 0.000 0.443 105 L N 0.070 121.218 121.223 -0.126 0.000 2.079 105 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 105 L C 2.221 179.047 176.870 -0.074 0.000 1.081 105 L CA 2.794 57.514 54.840 -0.200 0.000 0.752 105 L CB -0.763 40.994 42.059 -0.503 0.000 0.896 105 L HN 0.553 nan 8.230 nan 0.000 0.433 106 E N -1.051 119.123 120.200 -0.043 0.000 2.051 106 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 106 E C 2.036 178.615 176.600 -0.035 0.000 0.991 106 E CA 2.103 58.491 56.400 -0.020 0.000 0.799 106 E CB -0.405 29.294 29.700 -0.002 0.000 0.748 106 E HN 0.503 nan 8.360 nan 0.000 0.449 107 T N 0.814 115.343 114.554 -0.042 0.000 2.708 107 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 107 T C 1.739 176.349 174.700 -0.150 0.000 1.037 107 T CA 1.243 63.245 62.100 -0.164 0.000 1.146 107 T CB -0.444 68.203 68.868 -0.368 0.000 0.865 107 T HN 0.132 nan 8.240 nan 0.000 0.435 108 L N 1.242 122.462 121.223 -0.005 0.000 2.081 108 L HA -0.124 4.215 4.340 -0.000 0.000 0.212 108 L C 1.942 178.819 176.870 0.012 0.000 1.080 108 L CA 1.865 56.760 54.840 0.091 0.000 0.754 108 L CB -0.342 41.808 42.059 0.152 0.000 0.893 108 L HN 0.120 nan 8.230 nan 0.000 0.433 109 D N -2.044 118.348 120.400 -0.013 0.000 2.338 109 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 109 D C 1.800 178.082 176.300 -0.029 0.000 0.997 109 D CA 0.468 54.459 54.000 -0.014 0.000 0.880 109 D CB 0.093 40.891 40.800 -0.003 0.000 0.980 109 D HN 0.419 nan 8.370 nan 0.000 0.509 110 N N -0.585 118.087 118.700 -0.047 0.000 2.436 110 N HA -0.019 4.721 4.740 -0.000 0.000 0.178 110 N C 1.367 176.814 175.510 -0.105 0.000 1.026 110 N CA 1.599 54.614 53.050 -0.059 0.000 0.880 110 N CB 0.880 39.332 38.487 -0.058 0.000 1.061 110 N HN 0.257 nan 8.380 nan 0.000 0.434 111 G N 1.379 110.101 108.800 -0.130 0.000 2.307 111 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.210 111 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.210 111 G C -0.121 174.678 174.900 -0.168 0.000 1.005 111 G CA 0.260 45.261 45.100 -0.164 0.000 0.634 111 G HN 0.627 nan 8.290 nan 0.000 0.496 112 K N 1.417 121.718 120.400 -0.165 0.000 2.469 112 K HA 0.422 4.742 4.320 -0.000 0.000 0.274 112 K C -2.673 173.845 176.600 -0.137 0.000 0.983 112 K CA -1.018 55.174 56.287 -0.158 0.000 0.974 112 K CB 0.308 32.695 32.500 -0.187 0.000 0.913 112 K HN 0.101 nan 8.250 nan 0.000 0.493 113 P HA -0.129 nan 4.420 nan 0.000 0.262 113 P C -0.347 176.940 177.300 -0.022 0.000 1.182 113 P CA 0.069 63.144 63.100 -0.041 0.000 0.761 113 P CB 0.117 31.832 31.700 0.025 0.000 0.795 114 Y N 4.854 125.055 120.300 -0.165 0.000 2.256 114 Y HA -0.245 4.305 4.550 -0.000 0.000 0.288 114 Y C 1.654 177.593 175.900 0.066 0.000 1.155 114 Y CA 1.656 59.711 58.100 -0.074 0.000 1.203 114 Y CB -0.668 37.775 38.460 -0.029 0.000 0.980 114 Y HN 0.088 nan 8.280 nan 0.000 0.530 115 V N 0.298 120.206 119.914 -0.010 0.000 2.343 115 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 115 V C 2.327 178.413 176.094 -0.013 0.000 1.051 115 V CA 1.707 63.980 62.300 -0.045 0.000 1.036 115 V CB -0.630 31.235 31.823 0.070 0.000 0.654 115 V HN 0.416 nan 8.190 nan 0.000 0.451 116 I N 0.198 120.789 120.570 0.035 0.000 2.286 116 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 116 I C 2.582 178.735 176.117 0.061 0.000 1.104 116 I CA 1.442 62.802 61.300 0.100 0.000 1.397 116 I CB -1.479 36.606 38.000 0.141 0.000 1.072 116 I HN 0.275 nan 8.210 nan 0.000 0.417 117 S N 0.143 115.837 115.700 -0.009 0.000 2.383 117 S HA -0.226 4.243 4.470 -0.000 0.000 0.229 117 S C 2.011 176.588 174.600 -0.039 0.000 1.030 117 S CA 1.327 59.518 58.200 -0.015 0.000 1.002 117 S CB -0.505 62.683 63.200 -0.019 0.000 0.829 117 S HN 0.440 nan 8.310 nan 0.000 0.467 118 Y N 1.724 121.866 120.300 -0.263 0.000 2.130 118 Y HA 0.060 4.610 4.550 -0.000 0.000 0.287 118 Y C 2.005 177.848 175.900 -0.094 0.000 1.124 118 Y CA 1.283 59.242 58.100 -0.236 0.000 1.118 118 Y CB -0.299 37.881 38.460 -0.467 0.000 0.994 118 Y HN 0.090 nan 8.280 nan 0.000 0.497 119 L N -1.249 120.049 121.223 0.125 0.000 2.141 119 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 119 L C 1.746 178.644 176.870 0.048 0.000 1.094 119 L CA 0.753 55.652 54.840 0.097 0.000 0.763 119 L CB -0.405 41.732 42.059 0.131 0.000 0.908 119 L HN 0.187 nan 8.230 nan 0.000 0.437 120 V N -0.903 119.054 119.914 0.072 0.000 2.906 120 V HA -0.079 4.040 4.120 -0.000 0.000 0.221 120 V C 1.673 177.811 176.094 0.073 0.000 1.147 120 V CA 0.885 63.250 62.300 0.108 0.000 1.235 120 V CB -0.322 31.639 31.823 0.231 0.000 1.000 120 V HN 0.174 nan 8.190 nan 0.000 0.510 121 D N 0.549 121.008 120.400 0.098 0.000 2.230 121 D HA -0.259 4.380 4.640 -0.000 0.000 0.189 121 D C 1.935 178.229 176.300 -0.009 0.000 1.006 121 D CA 2.045 56.081 54.000 0.059 0.000 0.853 121 D CB -0.276 40.571 40.800 0.077 0.000 0.959 121 D HN 0.227 nan 8.370 nan 0.000 0.449 122 L N -0.153 121.041 121.223 -0.050 0.000 2.201 122 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 122 L C 1.820 178.639 176.870 -0.085 0.000 1.105 122 L CA 1.028 55.816 54.840 -0.085 0.000 0.775 122 L CB -0.173 41.791 42.059 -0.158 0.000 0.913 122 L HN 0.039 nan 8.230 nan 0.000 0.440 123 D N -0.443 119.907 120.400 -0.085 0.000 2.117 123 D HA -0.197 4.442 4.640 -0.000 0.000 0.198 123 D C 2.262 178.566 176.300 0.008 0.000 0.982 123 D CA 1.353 55.325 54.000 -0.046 0.000 0.828 123 D CB 0.090 40.873 40.800 -0.029 0.000 0.967 123 D HN 0.172 nan 8.370 nan 0.000 0.464 124 M N -0.375 119.236 119.600 0.019 0.000 2.175 124 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 124 M C 2.190 178.528 176.300 0.063 0.000 1.063 124 M CA 0.635 55.966 55.300 0.051 0.000 1.119 124 M CB -0.071 32.547 32.600 0.030 0.000 1.377 124 M HN 0.001 nan 8.290 nan 0.000 0.415 125 V N 1.139 121.064 119.914 0.018 0.000 2.261 125 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 125 V C 2.379 178.522 176.094 0.082 0.000 1.047 125 V CA 1.715 64.035 62.300 0.034 0.000 1.015 125 V CB -0.660 31.168 31.823 0.007 0.000 0.642 125 V HN 0.445 nan 8.190 nan 0.000 0.446 126 L N -0.532 120.726 121.223 0.058 0.000 1.989 126 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 126 L C 2.616 179.549 176.870 0.106 0.000 1.071 126 L CA 1.960 56.843 54.840 0.072 0.000 0.749 126 L CB -0.717 41.364 42.059 0.038 0.000 0.890 126 L HN 0.285 nan 8.230 nan 0.000 0.431 127 K N -0.841 119.620 120.400 0.103 0.000 2.097 127 K HA -0.216 4.103 4.320 -0.000 0.000 0.206 127 K C 2.283 179.000 176.600 0.195 0.000 1.049 127 K CA 1.581 57.943 56.287 0.126 0.000 0.933 127 K CB -0.448 32.109 32.500 0.096 0.000 0.717 127 K HN 0.415 nan 8.250 nan 0.000 0.442 128 C N 1.135 120.576 119.300 0.234 0.000 2.436 128 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 128 C C 2.415 177.661 174.990 0.428 0.000 1.241 128 C CA 0.624 59.862 59.018 0.367 0.000 1.721 128 C CB -0.911 27.090 27.740 0.435 0.000 2.043 128 C HN 0.404 nan 8.230 nan 0.000 0.472 129 L N 0.335 121.740 121.223 0.304 0.000 2.046 129 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 129 L C 3.008 180.029 176.870 0.252 0.000 1.077 129 L CA 1.670 56.675 54.840 0.274 0.000 0.747 129 L CB -0.726 41.443 42.059 0.183 0.000 0.896 129 L HN 0.365 nan 8.230 nan 0.000 0.432 130 R N -1.363 119.258 120.500 0.201 0.000 2.148 130 R HA -0.175 4.164 4.340 -0.000 0.000 0.223 130 R C 2.219 178.597 176.300 0.129 0.000 1.088 130 R CA 1.203 57.389 56.100 0.144 0.000 0.985 130 R CB -0.343 30.023 30.300 0.110 0.000 0.880 130 R HN 0.287 nan 8.270 nan 0.000 0.451 131 Y N 0.295 120.624 120.300 0.048 0.000 2.109 131 Y HA -0.252 4.297 4.550 -0.000 0.000 0.285 131 Y C 1.714 177.575 175.900 -0.066 0.000 1.131 131 Y CA 1.427 59.488 58.100 -0.066 0.000 1.121 131 Y CB -0.568 37.822 38.460 -0.117 0.000 0.987 131 Y HN -0.048 nan 8.280 nan 0.000 0.495 132 Y N -0.059 120.351 120.300 0.183 0.000 2.333 132 Y HA -0.169 4.380 4.550 -0.000 0.000 0.290 132 Y C 2.610 178.563 175.900 0.088 0.000 1.144 132 Y CA 0.911 59.105 58.100 0.157 0.000 1.228 132 Y CB -0.633 37.970 38.460 0.239 0.000 0.985 132 Y HN 0.295 nan 8.280 nan 0.000 0.542 133 A N 0.187 123.122 122.820 0.192 0.000 1.908 133 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 133 A C 2.536 180.139 177.584 0.031 0.000 1.181 133 A CA 1.858 53.968 52.037 0.121 0.000 0.627 133 A CB -1.466 17.589 19.000 0.091 0.000 0.818 133 A HN 0.475 nan 8.150 nan 0.000 0.445 134 G N -2.391 106.351 108.800 -0.098 0.000 2.443 134 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.219 134 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.219 134 G C 1.344 176.091 174.900 -0.254 0.000 1.131 134 G CA 0.717 45.679 45.100 -0.231 0.000 0.775 134 G HN 0.694 nan 8.290 nan 0.000 0.547 135 W N 0.628 121.826 121.300 -0.170 0.000 2.584 135 W HA 0.273 4.933 4.660 -0.000 0.000 0.264 135 W C 2.782 179.285 176.519 -0.028 0.000 1.264 135 W CA 0.200 57.471 57.345 -0.123 0.000 1.306 135 W CB 0.253 29.643 29.460 -0.116 0.000 1.110 135 W HN 0.258 nan 8.180 nan 0.000 0.606 136 A N 1.359 124.317 122.820 0.229 0.000 1.909 136 A HA -0.321 3.999 4.320 -0.000 0.000 0.221 136 A C 1.339 179.001 177.584 0.130 0.000 1.223 136 A CA 2.547 54.678 52.037 0.156 0.000 0.658 136 A CB -0.994 18.065 19.000 0.097 0.000 0.831 136 A HN 0.371 nan 8.150 nan 0.000 0.462 137 D N -2.231 118.229 120.400 0.099 0.000 2.643 137 D HA 0.244 4.884 4.640 -0.000 0.000 0.244 137 D C 0.414 176.760 176.300 0.077 0.000 1.257 137 D CA -0.025 54.025 54.000 0.083 0.000 0.831 137 D CB 0.083 40.916 40.800 0.054 0.000 1.043 137 D HN 0.501 nan 8.370 nan 0.000 0.488 138 K N -0.494 119.974 120.400 0.112 0.000 2.533 138 K HA 0.058 4.378 4.320 -0.000 0.000 0.202 138 K C -0.667 175.911 176.600 -0.037 0.000 1.096 138 K CA -0.513 55.772 56.287 -0.004 0.000 1.056 138 K CB 0.831 33.330 32.500 -0.002 0.000 0.890 138 K HN -0.013 nan 8.250 nan 0.000 0.552 139 Y N 2.578 122.837 120.300 -0.067 0.000 2.880 139 Y HA 0.206 4.756 4.550 -0.000 0.000 0.329 139 Y C -0.451 175.398 175.900 -0.085 0.000 1.156 139 Y CA -1.413 56.641 58.100 -0.078 0.000 1.348 139 Y CB -0.679 37.779 38.460 -0.004 0.000 1.280 139 Y HN 0.095 nan 8.280 nan 0.000 0.516 140 H N 1.302 120.321 119.070 -0.085 0.000 2.690 140 H HA 0.424 4.979 4.556 -0.000 0.000 0.365 140 H C 0.884 175.879 175.328 -0.556 0.000 1.142 140 H CA 0.206 56.121 56.048 -0.220 0.000 1.417 140 H CB 0.859 30.557 29.762 -0.106 0.000 1.446 140 H HN 0.741 nan 8.280 nan 0.000 0.599 141 G N 0.509 109.078 108.800 -0.387 0.000 2.531 141 G HA2 0.469 4.429 3.960 -0.000 0.000 0.281 141 G HA3 0.469 4.429 3.960 -0.000 0.000 0.281 141 G C -0.789 173.969 174.900 -0.237 0.000 1.382 141 G CA -0.878 43.853 45.100 -0.615 0.000 1.045 141 G HN 0.532 nan 8.290 nan 0.000 0.533 142 K N -0.657 119.664 120.400 -0.131 0.000 2.385 142 K HA 0.528 4.848 4.320 -0.000 0.000 0.248 142 K C -0.953 175.671 176.600 0.039 0.000 0.955 142 K CA -0.679 55.587 56.287 -0.034 0.000 0.816 142 K CB 2.147 34.635 32.500 -0.020 0.000 1.250 142 K HN 0.586 nan 8.250 nan 0.000 0.434 143 T N -0.605 113.989 114.554 0.067 0.000 2.770 143 T HA 0.512 4.862 4.350 -0.000 0.000 0.297 143 T C 0.013 174.779 174.700 0.110 0.000 0.997 143 T CA -0.718 61.472 62.100 0.149 0.000 0.949 143 T CB -0.255 68.751 68.868 0.229 0.000 0.941 143 T HN 0.367 nan 8.240 nan 0.000 0.457 144 I N 5.802 126.424 120.570 0.087 0.000 2.331 144 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 144 I C -1.663 174.510 176.117 0.094 0.000 0.998 144 I CA -2.710 58.627 61.300 0.062 0.000 1.267 144 I CB 1.891 39.900 38.000 0.014 0.000 1.386 144 I HN 0.468 nan 8.210 nan 0.000 0.476 145 P HA 0.157 nan 4.420 nan 0.000 0.226 145 P C 0.084 177.432 177.300 0.080 0.000 1.783 145 P CA 0.039 63.193 63.100 0.090 0.000 0.980 145 P CB 0.110 31.849 31.700 0.065 0.000 1.967 146 I N 0.880 121.504 120.570 0.090 0.000 2.993 146 I HA 0.015 4.184 4.170 -0.000 0.000 0.286 146 I C 0.270 176.460 176.117 0.122 0.000 1.215 146 I CA 0.088 61.435 61.300 0.079 0.000 1.393 146 I CB 0.610 38.642 38.000 0.053 0.000 1.371 146 I HN 0.021 nan 8.210 nan 0.000 0.602 147 D N 4.568 125.032 120.400 0.108 0.000 2.372 147 D HA 0.457 5.097 4.640 -0.000 0.000 0.243 147 D C 0.323 176.765 176.300 0.238 0.000 1.121 147 D CA 1.130 55.206 54.000 0.128 0.000 0.898 147 D CB 1.069 41.922 40.800 0.089 0.000 1.202 147 D HN 0.931 nan 8.370 nan 0.000 0.428 148 G N 1.869 110.774 108.800 0.175 0.000 2.757 148 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.638 148 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.638 148 G C -0.688 174.212 174.900 0.001 0.000 1.344 148 G CA -0.786 44.401 45.100 0.145 0.000 0.855 148 G HN 0.515 nan 8.290 nan 0.000 0.537 149 D N 0.971 121.174 120.400 -0.329 0.000 2.671 149 D HA 0.437 5.077 4.640 -0.000 0.000 0.228 149 D C -0.089 175.798 176.300 -0.688 0.000 1.102 149 D CA 1.054 54.814 54.000 -0.400 0.000 1.044 149 D CB -0.471 40.120 40.800 -0.349 0.000 1.113 149 D HN 0.253 nan 8.370 nan 0.000 0.480 150 F N 0.307 120.303 119.950 0.075 0.000 2.613 150 F HA 0.415 4.942 4.527 -0.000 0.000 0.314 150 F C -0.407 175.509 175.800 0.193 0.000 1.075 150 F CA -1.463 56.600 58.000 0.106 0.000 0.945 150 F CB 1.684 40.718 39.000 0.058 0.000 1.310 150 F HN -0.145 nan 8.300 nan 0.000 0.467 151 F N 1.869 121.973 119.950 0.257 0.000 2.460 151 F HA 0.681 5.208 4.527 -0.000 0.000 0.341 151 F C -0.784 175.137 175.800 0.201 0.000 1.130 151 F CA -1.055 57.056 58.000 0.185 0.000 0.962 151 F CB 1.261 40.354 39.000 0.155 0.000 1.171 151 F HN 0.258 nan 8.300 nan 0.000 0.436 152 S N 6.616 122.257 115.700 -0.098 0.000 2.502 152 S HA 0.784 5.254 4.470 -0.000 0.000 0.304 152 S C -1.369 173.048 174.600 -0.305 0.000 1.097 152 S CA -0.315 57.704 58.200 -0.302 0.000 1.045 152 S CB 0.643 63.757 63.200 -0.145 0.000 1.019 152 S HN 0.692 nan 8.310 nan 0.000 0.481 153 Y N 0.289 120.306 120.300 -0.473 0.000 2.644 153 Y HA 0.826 5.376 4.550 -0.000 0.000 0.338 153 Y C -0.401 175.379 175.900 -0.199 0.000 1.119 153 Y CA -1.068 56.844 58.100 -0.314 0.000 1.060 153 Y CB 0.925 39.164 38.460 -0.368 0.000 1.294 153 Y HN 0.526 nan 8.280 nan 0.000 0.472 154 T N -0.442 114.113 114.554 0.001 0.000 2.887 154 T HA 0.696 5.046 4.350 -0.000 0.000 0.288 154 T C -0.957 173.763 174.700 0.034 0.000 1.021 154 T CA -1.035 61.036 62.100 -0.048 0.000 1.000 154 T CB 1.907 70.761 68.868 -0.022 0.000 1.034 154 T HN 0.831 nan 8.240 nan 0.000 0.467 155 R N 0.908 121.436 120.500 0.047 0.000 2.494 155 R HA 0.339 4.678 4.340 -0.000 0.000 0.305 155 R C -0.583 175.820 176.300 0.172 0.000 0.959 155 R CA -0.719 55.431 56.100 0.082 0.000 0.864 155 R CB 1.230 31.592 30.300 0.104 0.000 1.159 155 R HN 0.763 nan 8.270 nan 0.000 0.446 156 H N 2.433 121.519 119.070 0.027 0.000 2.818 156 H HA 0.128 4.683 4.556 -0.000 0.000 0.269 156 H C -0.381 175.002 175.328 0.092 0.000 1.277 156 H CA -0.443 55.633 56.048 0.045 0.000 1.290 156 H CB 0.821 30.588 29.762 0.008 0.000 1.479 156 H HN 0.386 nan 8.280 nan 0.000 0.507 157 E N 3.674 123.993 120.200 0.199 0.000 2.283 157 E HA 0.207 4.557 4.350 -0.000 0.000 0.267 157 E C -2.447 174.267 176.600 0.190 0.000 1.045 157 E CA -2.265 54.236 56.400 0.168 0.000 0.884 157 E CB 0.762 30.544 29.700 0.136 0.000 1.106 157 E HN 0.353 nan 8.360 nan 0.000 0.408 158 P HA -0.084 nan 4.420 nan 0.000 0.271 158 P C 0.571 177.998 177.300 0.213 0.000 1.218 158 P CA 0.016 63.267 63.100 0.252 0.000 0.780 158 P CB 0.696 32.634 31.700 0.397 0.000 0.901 159 V N 2.014 121.993 119.914 0.110 0.000 2.515 159 V HA 0.047 4.167 4.120 -0.000 0.000 0.250 159 V C 1.089 177.152 176.094 -0.052 0.000 1.058 159 V CA 2.764 65.091 62.300 0.045 0.000 1.064 159 V CB -1.066 30.767 31.823 0.016 0.000 0.675 159 V HN 0.962 nan 8.190 nan 0.000 0.461 160 G N -1.093 107.527 108.800 -0.300 0.000 2.254 160 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.193 160 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.193 160 G C -0.538 173.948 174.900 -0.690 0.000 1.233 160 G CA -0.203 44.357 45.100 -0.900 0.000 1.290 160 G HN 0.522 nan 8.290 nan 0.000 0.517 161 V N 1.202 120.859 119.914 -0.428 0.000 2.405 161 V HA 0.413 4.532 4.120 -0.000 0.000 0.264 161 V C 0.341 176.356 176.094 -0.130 0.000 1.048 161 V CA -0.227 61.926 62.300 -0.244 0.000 0.966 161 V CB 0.332 32.050 31.823 -0.175 0.000 1.015 161 V HN 0.807 nan 8.190 nan 0.000 0.477 162 C N 4.931 124.185 119.300 -0.076 0.000 2.264 162 C HA 0.663 5.123 4.460 -0.000 0.000 0.324 162 C C 1.098 176.097 174.990 0.015 0.000 1.267 162 C CA -0.952 58.074 59.018 0.014 0.000 1.618 162 C CB 0.142 27.960 27.740 0.131 0.000 2.278 162 C HN 0.996 nan 8.230 nan 0.000 0.499 163 G N 3.211 112.024 108.800 0.022 0.000 2.339 163 G HA2 0.506 4.465 3.960 -0.000 0.000 0.287 163 G HA3 0.506 4.465 3.960 -0.000 0.000 0.287 163 G C -0.723 174.217 174.900 0.067 0.000 1.163 163 G CA -0.122 44.995 45.100 0.029 0.000 0.872 163 G HN 0.815 nan 8.290 nan 0.000 0.464 164 Q N 1.689 121.525 119.800 0.060 0.000 2.310 164 Q HA 0.413 4.753 4.340 -0.000 0.000 0.270 164 Q C -0.727 175.313 176.000 0.067 0.000 1.025 164 Q CA -0.439 55.409 55.803 0.074 0.000 0.772 164 Q CB 2.687 31.461 28.738 0.060 0.000 1.253 164 Q HN 0.541 nan 8.270 nan 0.000 0.450 165 I N 4.791 125.412 120.570 0.085 0.000 2.330 165 I HA 0.440 4.610 4.170 -0.000 0.000 0.289 165 I C -0.083 176.010 176.117 -0.040 0.000 1.001 165 I CA -0.787 60.562 61.300 0.081 0.000 1.193 165 I CB 0.773 38.915 38.000 0.237 0.000 1.345 165 I HN 0.522 nan 8.210 nan 0.000 0.461 166 I N 5.516 126.065 120.570 -0.034 0.000 2.603 166 I HA 0.710 4.879 4.170 -0.000 0.000 0.300 166 I C -2.551 173.513 176.117 -0.089 0.000 1.017 166 I CA -2.220 59.030 61.300 -0.083 0.000 1.098 166 I CB 2.041 40.022 38.000 -0.032 0.000 1.279 166 I HN 0.247 nan 8.210 nan 0.000 0.437 167 P HA 0.097 nan 4.420 nan 0.000 0.293 167 P C -0.107 177.101 177.300 -0.152 0.000 1.298 167 P CA -0.018 62.922 63.100 -0.268 0.000 0.757 167 P CB 0.540 31.964 31.700 -0.460 0.000 1.262 168 W N -0.035 121.264 121.300 -0.002 0.000 3.058 168 W HA 0.054 4.714 4.660 -0.000 0.000 0.306 168 W C 0.997 177.457 176.519 -0.099 0.000 1.188 168 W CA 0.318 57.646 57.345 -0.028 0.000 1.651 168 W CB -1.700 27.751 29.460 -0.016 0.000 1.051 168 W HN 0.212 nan 8.180 nan 0.000 0.592 169 N N 2.235 120.709 118.700 -0.377 0.000 2.223 169 N HA -0.199 4.541 4.740 -0.000 0.000 0.185 169 N C -0.075 174.962 175.510 -0.789 0.000 1.016 169 N CA 1.091 53.847 53.050 -0.489 0.000 0.863 169 N CB -1.172 36.916 38.487 -0.666 0.000 0.983 169 N HN 0.121 nan 8.380 nan 0.000 0.429 170 F N -0.874 118.982 119.950 -0.157 0.000 2.872 170 F HA 0.418 4.945 4.527 -0.000 0.000 0.365 170 F C -1.876 173.828 175.800 -0.161 0.000 1.296 170 F CA -2.058 55.831 58.000 -0.184 0.000 1.199 170 F CB 2.190 41.009 39.000 -0.302 0.000 1.687 170 F HN -0.179 nan 8.300 nan 0.000 0.604 171 P HA -0.204 nan 4.420 nan 0.000 0.210 171 P C 1.935 179.237 177.300 0.003 0.000 1.185 171 P CA 1.629 64.744 63.100 0.026 0.000 0.924 171 P CB 0.416 32.143 31.700 0.045 0.000 0.786 172 L N -1.915 119.311 121.223 0.004 0.000 2.046 172 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 172 L C 2.485 179.311 176.870 -0.073 0.000 1.077 172 L CA 1.026 55.859 54.840 -0.011 0.000 0.747 172 L CB -0.950 41.115 42.059 0.009 0.000 0.896 172 L HN -0.006 nan 8.230 nan 0.000 0.432 173 L N -0.876 120.265 121.223 -0.136 0.000 2.056 173 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 173 L C 2.482 179.061 176.870 -0.485 0.000 1.078 173 L CA 1.738 56.359 54.840 -0.366 0.000 0.749 173 L CB -0.391 41.341 42.059 -0.546 0.000 0.901 173 L HN 0.159 nan 8.230 nan 0.000 0.433 174 M N -0.868 118.540 119.600 -0.321 0.000 2.159 174 M HA -0.239 4.241 4.480 -0.000 0.000 0.263 174 M C 2.258 178.525 176.300 -0.055 0.000 1.063 174 M CA 1.571 56.759 55.300 -0.187 0.000 1.110 174 M CB -1.172 31.377 32.600 -0.085 0.000 1.374 174 M HN 0.512 nan 8.290 nan 0.000 0.411 175 Q N -0.256 119.510 119.800 -0.058 0.000 2.050 175 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 175 Q C 2.015 178.008 176.000 -0.012 0.000 0.980 175 Q CA 1.912 57.698 55.803 -0.028 0.000 0.840 175 Q CB 0.007 28.727 28.738 -0.030 0.000 0.898 175 Q HN 0.484 nan 8.270 nan 0.000 0.424 176 A N 0.057 122.870 122.820 -0.012 0.000 1.902 176 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 176 A C 1.549 179.245 177.584 0.188 0.000 1.181 176 A CA 1.224 53.298 52.037 0.061 0.000 0.623 176 A CB -1.121 17.919 19.000 0.067 0.000 0.818 176 A HN 0.622 nan 8.150 nan 0.000 0.443 177 W N 0.284 121.579 121.300 -0.009 0.000 2.421 177 W HA -0.029 4.631 4.660 -0.000 0.000 0.270 177 W C 1.983 178.457 176.519 -0.076 0.000 1.233 177 W CA 1.233 58.573 57.345 -0.009 0.000 1.226 177 W CB -0.152 29.314 29.460 0.010 0.000 1.121 177 W HN 0.252 nan 8.180 nan 0.000 0.579 178 K N -0.580 119.898 120.400 0.130 0.000 2.190 178 K HA 0.131 4.451 4.320 -0.000 0.000 0.202 178 K C 2.073 178.570 176.600 -0.171 0.000 1.045 178 K CA 0.499 56.783 56.287 -0.004 0.000 0.976 178 K CB -0.850 31.671 32.500 0.034 0.000 0.849 178 K HN 0.175 nan 8.250 nan 0.000 0.468 179 L N 0.476 121.627 121.223 -0.119 0.000 2.056 179 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 179 L C 2.445 179.211 176.870 -0.174 0.000 1.078 179 L CA 1.431 56.176 54.840 -0.158 0.000 0.749 179 L CB -1.129 40.851 42.059 -0.131 0.000 0.901 179 L HN 0.258 nan 8.230 nan 0.000 0.433 180 G N 1.391 110.108 108.800 -0.139 0.000 2.672 180 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 180 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 180 G C -0.501 174.125 174.900 -0.458 0.000 1.238 180 G CA 1.248 46.244 45.100 -0.173 0.000 0.791 180 G HN 0.318 nan 8.290 nan 0.000 0.606 181 P HA -0.008 nan 4.420 nan 0.000 0.217 181 P C 2.073 179.069 177.300 -0.508 0.000 1.151 181 P CA 2.037 64.703 63.100 -0.724 0.000 0.828 181 P CB -0.192 31.130 31.700 -0.629 0.000 0.788 182 A N 0.623 122.988 122.820 -0.759 0.000 1.858 182 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 182 A C 2.454 179.962 177.584 -0.126 0.000 1.190 182 A CA 1.590 53.237 52.037 -0.650 0.000 0.617 182 A CB -1.642 16.935 19.000 -0.705 0.000 0.827 182 A HN 0.121 nan 8.150 nan 0.000 0.443 183 L N -0.919 120.301 121.223 -0.005 0.000 2.156 183 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 183 L C 2.993 180.041 176.870 0.297 0.000 1.095 183 L CA 0.805 55.837 54.840 0.320 0.000 0.770 183 L CB -0.530 41.744 42.059 0.359 0.000 0.914 183 L HN 0.437 nan 8.230 nan 0.000 0.439 184 A N 0.167 123.075 122.820 0.147 0.000 1.969 184 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 184 A C 2.264 179.910 177.584 0.104 0.000 1.169 184 A CA 2.009 54.138 52.037 0.153 0.000 0.635 184 A CB -0.729 18.394 19.000 0.205 0.000 0.810 184 A HN 0.494 nan 8.150 nan 0.000 0.445 185 T N -4.881 109.716 114.554 0.072 0.000 3.107 185 T HA 0.424 4.774 4.350 -0.000 0.000 0.249 185 T C 1.237 175.989 174.700 0.087 0.000 1.096 185 T CA 1.014 63.165 62.100 0.084 0.000 1.012 185 T CB 0.151 69.070 68.868 0.085 0.000 0.977 185 T HN 1.654 nan 8.240 nan 0.000 0.527 186 G N 1.366 110.205 108.800 0.065 0.000 2.157 186 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.239 186 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.239 186 G C 0.038 175.150 174.900 0.353 0.000 0.982 186 G CA -0.231 44.861 45.100 -0.013 0.000 0.650 186 G HN 0.581 nan 8.290 nan 0.000 0.527 187 N N -0.316 118.596 118.700 0.354 0.000 2.347 187 N HA 0.549 5.289 4.740 -0.000 0.000 0.253 187 N C 0.554 176.285 175.510 0.368 0.000 1.274 187 N CA 0.688 53.888 53.050 0.251 0.000 0.941 187 N CB 1.512 40.050 38.487 0.084 0.000 1.200 187 N HN 0.741 nan 8.380 nan 0.000 0.514 188 V N -2.078 117.874 119.914 0.064 0.000 2.815 188 V HA 0.709 4.829 4.120 -0.000 0.000 0.314 188 V C -0.138 175.913 176.094 -0.071 0.000 1.064 188 V CA -0.823 61.473 62.300 -0.006 0.000 0.952 188 V CB 1.702 33.511 31.823 -0.024 0.000 1.020 188 V HN 0.233 nan 8.190 nan 0.000 0.439 189 V N 2.934 122.792 119.914 -0.094 0.000 2.656 189 V HA 0.547 4.667 4.120 -0.000 0.000 0.307 189 V C -0.437 175.614 176.094 -0.071 0.000 1.051 189 V CA -0.517 61.734 62.300 -0.081 0.000 0.893 189 V CB 2.099 33.864 31.823 -0.096 0.000 0.999 189 V HN 0.764 nan 8.190 nan 0.000 0.426 190 V N 5.679 125.562 119.914 -0.051 0.000 2.289 190 V HA 0.405 4.525 4.120 -0.000 0.000 0.272 190 V C -0.086 176.001 176.094 -0.011 0.000 1.026 190 V CA -0.174 62.103 62.300 -0.038 0.000 0.807 190 V CB 1.199 32.990 31.823 -0.055 0.000 1.044 190 V HN 0.896 nan 8.190 nan 0.000 0.443 191 M N 4.792 124.389 119.600 -0.006 0.000 2.209 191 M HA 0.525 5.005 4.480 -0.000 0.000 0.355 191 M C -0.423 175.897 176.300 0.033 0.000 1.171 191 M CA -0.412 54.894 55.300 0.010 0.000 1.069 191 M CB 0.995 33.588 32.600 -0.011 0.000 1.622 191 M HN 0.321 nan 8.290 nan 0.000 0.459 192 K N 5.657 126.085 120.400 0.048 0.000 2.316 192 K HA 0.391 4.711 4.320 -0.000 0.000 0.267 192 K C -1.201 175.439 176.600 0.066 0.000 1.025 192 K CA -0.375 55.950 56.287 0.062 0.000 0.896 192 K CB 0.797 33.342 32.500 0.075 0.000 1.124 192 K HN 0.680 nan 8.250 nan 0.000 0.451 193 V N 0.897 120.856 119.914 0.074 0.000 2.997 193 V HA 0.677 4.797 4.120 -0.000 0.000 0.311 193 V C 0.429 176.585 176.094 0.105 0.000 1.066 193 V CA -1.131 61.219 62.300 0.084 0.000 1.039 193 V CB 1.110 32.989 31.823 0.094 0.000 1.081 193 V HN 0.715 nan 8.190 nan 0.000 0.467 194 A N 2.055 124.954 122.820 0.132 0.000 2.477 194 A HA 0.269 4.589 4.320 -0.000 0.000 0.246 194 A C 1.239 178.927 177.584 0.172 0.000 1.078 194 A CA 0.356 52.505 52.037 0.186 0.000 0.770 194 A CB -0.190 18.994 19.000 0.305 0.000 1.011 194 A HN 1.166 nan 8.150 nan 0.000 0.494 195 E N 1.640 121.914 120.200 0.123 0.000 2.265 195 E HA -0.287 4.063 4.350 -0.000 0.000 0.196 195 E C 1.100 177.831 176.600 0.217 0.000 0.996 195 E CA 1.682 58.125 56.400 0.073 0.000 0.832 195 E CB -0.197 29.471 29.700 -0.052 0.000 0.756 195 E HN 0.821 nan 8.360 nan 0.000 0.491 196 Q N 0.684 120.567 119.800 0.137 0.000 2.212 196 Q HA 0.009 4.349 4.340 -0.000 0.000 0.199 196 Q C 0.569 176.622 176.000 0.088 0.000 0.950 196 Q CA 1.592 57.425 55.803 0.049 0.000 0.863 196 Q CB 0.693 29.326 28.738 -0.175 0.000 0.944 196 Q HN 0.418 nan 8.270 nan 0.000 0.465 197 T N -2.982 111.661 114.554 0.149 0.000 3.418 197 T HA 0.317 4.667 4.350 -0.000 0.000 0.315 197 T C -2.507 172.271 174.700 0.130 0.000 1.447 197 T CA -1.356 60.820 62.100 0.126 0.000 1.641 197 T CB 1.321 70.273 68.868 0.141 0.000 0.904 197 T HN -0.040 nan 8.240 nan 0.000 0.640 198 P HA 0.280 nan 4.420 nan 0.000 0.252 198 P C 1.571 178.934 177.300 0.106 0.000 1.211 198 P CA -0.227 62.956 63.100 0.139 0.000 0.824 198 P CB 0.484 32.305 31.700 0.200 0.000 1.077 199 L N 0.707 121.973 121.223 0.071 0.000 1.970 199 L HA -0.156 4.183 4.340 -0.000 0.000 0.212 199 L C 2.834 179.769 176.870 0.108 0.000 1.071 199 L CA 2.829 57.706 54.840 0.061 0.000 0.751 199 L CB -2.135 39.931 42.059 0.012 0.000 0.889 199 L HN 0.100 nan 8.230 nan 0.000 0.432 200 T N -1.828 112.777 114.554 0.085 0.000 2.720 200 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 200 T C 1.977 176.770 174.700 0.155 0.000 1.037 200 T CA 1.154 63.325 62.100 0.117 0.000 1.144 200 T CB -0.585 68.320 68.868 0.063 0.000 0.864 200 T HN 0.342 nan 8.240 nan 0.000 0.444 201 A N 1.878 124.763 122.820 0.108 0.000 1.908 201 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 201 A C 2.514 180.152 177.584 0.089 0.000 1.181 201 A CA 1.663 53.745 52.037 0.076 0.000 0.627 201 A CB -0.990 18.048 19.000 0.062 0.000 0.818 201 A HN 0.573 nan 8.150 nan 0.000 0.445 202 L N -2.419 118.901 121.223 0.162 0.000 2.056 202 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 202 L C 2.600 179.650 176.870 0.299 0.000 1.078 202 L CA 1.705 56.709 54.840 0.272 0.000 0.749 202 L CB -0.661 41.558 42.059 0.268 0.000 0.901 202 L HN 0.575 nan 8.230 nan 0.000 0.433 203 Y N 0.377 120.774 120.300 0.161 0.000 2.224 203 Y HA -0.209 4.340 4.550 -0.000 0.000 0.289 203 Y C 2.373 178.355 175.900 0.136 0.000 1.146 203 Y CA 1.376 59.594 58.100 0.196 0.000 1.182 203 Y CB -0.215 38.410 38.460 0.276 0.000 0.983 203 Y HN -0.160 nan 8.280 nan 0.000 0.524 204 V N 0.260 120.208 119.914 0.056 0.000 2.407 204 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 204 V C 2.634 178.576 176.094 -0.252 0.000 1.055 204 V CA 1.639 63.891 62.300 -0.080 0.000 1.049 204 V CB -1.498 30.314 31.823 -0.019 0.000 0.662 204 V HN 0.557 nan 8.190 nan 0.000 0.455 205 A N 0.162 122.781 122.820 -0.335 0.000 2.019 205 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 205 A C 2.054 179.186 177.584 -0.753 0.000 1.164 205 A CA 2.141 53.680 52.037 -0.830 0.000 0.644 205 A CB -0.711 17.522 19.000 -1.279 0.000 0.805 205 A HN 0.575 nan 8.150 nan 0.000 0.449 206 N N -0.034 118.508 118.700 -0.264 0.000 2.188 206 N HA -0.021 4.719 4.740 -0.000 0.000 0.184 206 N C 1.520 176.942 175.510 -0.147 0.000 1.018 206 N CA 1.159 54.188 53.050 -0.035 0.000 0.858 206 N CB -0.325 38.148 38.487 -0.023 0.000 0.989 206 N HN 0.490 nan 8.380 nan 0.000 0.426 207 L N -0.022 121.043 121.223 -0.263 0.000 2.141 207 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 207 L C 1.973 178.800 176.870 -0.071 0.000 1.094 207 L CA 0.607 55.352 54.840 -0.157 0.000 0.763 207 L CB -0.298 41.676 42.059 -0.141 0.000 0.908 207 L HN 0.206 nan 8.230 nan 0.000 0.437 208 I N 0.142 120.614 120.570 -0.164 0.000 2.286 208 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 208 I C 2.722 178.880 176.117 0.067 0.000 1.115 208 I CA 1.343 62.536 61.300 -0.178 0.000 1.392 208 I CB -0.227 37.510 38.000 -0.439 0.000 1.065 208 I HN 0.271 nan 8.210 nan 0.000 0.418 209 K N 1.207 121.654 120.400 0.079 0.000 2.025 209 K HA -0.248 4.071 4.320 -0.000 0.000 0.207 209 K C 2.101 178.779 176.600 0.129 0.000 1.049 209 K CA 1.663 58.048 56.287 0.163 0.000 0.933 209 K CB -0.110 32.512 32.500 0.205 0.000 0.714 209 K HN 0.237 nan 8.250 nan 0.000 0.438 210 E N -0.138 120.115 120.200 0.088 0.000 2.153 210 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 210 E C 1.627 178.284 176.600 0.095 0.000 0.988 210 E CA 0.864 57.307 56.400 0.071 0.000 0.811 210 E CB -0.070 29.649 29.700 0.032 0.000 0.746 210 E HN 0.458 nan 8.360 nan 0.000 0.466 211 A N 0.158 123.068 122.820 0.151 0.000 2.015 211 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 211 A C 1.868 179.519 177.584 0.112 0.000 1.163 211 A CA 1.423 53.568 52.037 0.180 0.000 0.646 211 A CB -0.439 18.788 19.000 0.380 0.000 0.806 211 A HN 0.513 nan 8.150 nan 0.000 0.448 212 G N -2.882 106.011 108.800 0.154 0.000 2.154 212 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.186 212 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.186 212 G C -0.081 174.857 174.900 0.063 0.000 1.000 212 G CA -0.219 44.929 45.100 0.080 0.000 0.664 212 G HN 0.256 nan 8.290 nan 0.000 0.513 213 F N 1.459 121.414 119.950 0.009 0.000 2.529 213 F HA 0.421 4.948 4.527 -0.001 0.000 0.365 213 F C -1.128 174.635 175.800 -0.062 0.000 1.102 213 F CA -1.570 56.401 58.000 -0.049 0.000 1.271 213 F CB 0.412 39.323 39.000 -0.149 0.000 1.120 213 F HN -0.103 nan 8.300 nan 0.000 0.579 214 P HA 0.026 nan 4.420 nan 0.000 0.267 214 P C -2.512 174.777 177.300 -0.019 0.000 1.200 214 P CA -0.687 62.441 63.100 0.045 0.000 0.772 214 P CB 0.054 31.808 31.700 0.089 0.000 0.855 215 P HA 0.040 nan 4.420 nan 0.000 0.265 215 P C 0.965 178.207 177.300 -0.097 0.000 1.193 215 P CA 1.257 64.310 63.100 -0.077 0.000 0.765 215 P CB 0.154 31.812 31.700 -0.069 0.000 0.823 216 G N 1.214 109.931 108.800 -0.138 0.000 2.205 216 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.261 216 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.261 216 G C 1.028 175.840 174.900 -0.145 0.000 0.980 216 G CA 0.303 45.328 45.100 -0.126 0.000 0.632 216 G HN 0.405 nan 8.290 nan 0.000 0.533 217 V N -0.282 119.496 119.914 -0.225 0.000 2.358 217 V HA 0.047 4.167 4.120 -0.000 0.000 0.246 217 V C 1.488 177.410 176.094 -0.288 0.000 1.047 217 V CA 2.024 64.074 62.300 -0.417 0.000 1.035 217 V CB 0.052 31.401 31.823 -0.790 0.000 0.658 217 V HN 0.398 nan 8.190 nan 0.000 0.452 218 V N 1.600 121.393 119.914 -0.201 0.000 2.483 218 V HA 0.482 4.602 4.120 -0.000 0.000 0.297 218 V C -0.836 175.269 176.094 0.017 0.000 1.027 218 V CA -0.755 61.460 62.300 -0.142 0.000 0.855 218 V CB 1.701 33.377 31.823 -0.245 0.000 0.995 218 V HN 0.430 nan 8.190 nan 0.000 0.424 219 N N 5.448 124.148 118.700 0.001 0.000 2.399 219 N HA 0.601 5.341 4.740 -0.000 0.000 0.284 219 N C -1.129 174.412 175.510 0.051 0.000 1.025 219 N CA -0.365 52.720 53.050 0.058 0.000 0.885 219 N CB 2.879 41.338 38.487 -0.046 0.000 1.339 219 N HN 0.515 nan 8.380 nan 0.000 0.487 220 I N 1.290 121.931 120.570 0.117 0.000 2.377 220 I HA 0.395 4.565 4.170 -0.000 0.000 0.293 220 I C -0.182 176.003 176.117 0.113 0.000 0.987 220 I CA -1.035 60.313 61.300 0.081 0.000 1.185 220 I CB 1.884 39.917 38.000 0.054 0.000 1.341 220 I HN 0.037 nan 8.210 nan 0.000 0.455 221 V N 7.298 127.265 119.914 0.088 0.000 2.340 221 V HA 0.278 4.397 4.120 -0.000 0.000 0.277 221 V C -2.172 173.980 176.094 0.097 0.000 1.017 221 V CA -1.494 60.861 62.300 0.092 0.000 0.820 221 V CB 1.159 33.015 31.823 0.055 0.000 1.028 221 V HN 0.599 nan 8.190 nan 0.000 0.436 222 P HA 0.548 nan 4.420 nan 0.000 0.271 222 P C 0.250 177.592 177.300 0.071 0.000 1.218 222 P CA 0.629 63.824 63.100 0.158 0.000 0.780 222 P CB 2.100 33.955 31.700 0.259 0.000 0.901 223 G N 0.863 109.577 108.800 -0.143 0.000 2.367 223 G HA2 0.293 4.253 3.960 -0.000 0.000 0.272 223 G HA3 0.293 4.253 3.960 -0.000 0.000 0.272 223 G C -1.739 172.759 174.900 -0.671 0.000 1.271 223 G CA -0.827 43.948 45.100 -0.541 0.000 0.893 223 G HN 0.309 nan 8.290 nan 0.000 0.485 224 F N 0.706 120.535 119.950 -0.203 0.000 2.432 224 F HA 0.540 5.066 4.527 -0.000 0.000 0.329 224 F C 1.747 177.518 175.800 -0.048 0.000 1.076 224 F CA 0.039 57.949 58.000 -0.150 0.000 1.018 224 F CB 1.997 40.906 39.000 -0.150 0.000 1.201 224 F HN 0.664 nan 8.300 nan 0.000 0.489 225 G N 1.031 109.953 108.800 0.204 0.000 2.421 225 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 225 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 225 G C -0.958 174.000 174.900 0.097 0.000 1.171 225 G CA 0.708 45.893 45.100 0.142 0.000 0.775 225 G HN 0.463 nan 8.290 nan 0.000 0.543 226 P HA -0.069 nan 4.420 nan 0.000 0.218 226 P C 2.158 179.489 177.300 0.052 0.000 1.148 226 P CA 2.212 65.336 63.100 0.039 0.000 0.822 226 P CB -0.104 31.603 31.700 0.013 0.000 0.784 227 T N -3.166 111.443 114.554 0.091 0.000 2.896 227 T HA 0.179 4.529 4.350 -0.000 0.000 0.238 227 T C 1.995 176.735 174.700 0.067 0.000 1.045 227 T CA 0.771 62.921 62.100 0.083 0.000 1.248 227 T CB -1.297 67.643 68.868 0.119 0.000 0.955 227 T HN -0.073 nan 8.240 nan 0.000 0.416 228 A N 1.809 124.669 122.820 0.066 0.000 1.877 228 A HA 0.222 4.542 4.320 -0.000 0.000 0.216 228 A C 2.673 180.296 177.584 0.065 0.000 1.186 228 A CA 2.010 54.079 52.037 0.055 0.000 0.620 228 A CB -1.779 17.241 19.000 0.033 0.000 0.822 228 A HN 0.706 nan 8.150 nan 0.000 0.443 229 G N -0.437 108.408 108.800 0.076 0.000 2.480 229 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.216 229 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.216 229 G C 1.778 176.712 174.900 0.058 0.000 1.200 229 G CA 1.653 46.805 45.100 0.087 0.000 0.782 229 G HN 0.884 nan 8.290 nan 0.000 0.554 230 A N 0.934 123.776 122.820 0.037 0.000 2.019 230 A HA 0.290 4.610 4.320 -0.000 0.000 0.219 230 A C 2.770 180.371 177.584 0.029 0.000 1.164 230 A CA 2.137 54.182 52.037 0.014 0.000 0.644 230 A CB -0.632 18.369 19.000 0.002 0.000 0.805 230 A HN 0.801 nan 8.150 nan 0.000 0.449 231 A N 0.147 122.994 122.820 0.046 0.000 1.877 231 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 231 A C 2.123 179.766 177.584 0.098 0.000 1.186 231 A CA 1.545 53.618 52.037 0.060 0.000 0.620 231 A CB -0.574 18.467 19.000 0.068 0.000 0.822 231 A HN 0.486 nan 8.150 nan 0.000 0.443 232 I N -0.294 120.330 120.570 0.091 0.000 2.179 232 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 232 I C 2.939 179.106 176.117 0.084 0.000 1.088 232 I CA 1.128 62.483 61.300 0.091 0.000 1.357 232 I CB -0.317 37.724 38.000 0.068 0.000 1.051 232 I HN 0.359 nan 8.210 nan 0.000 0.409 233 A N -0.423 122.432 122.820 0.058 0.000 2.019 233 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 233 A C 2.365 179.969 177.584 0.034 0.000 1.164 233 A CA 2.066 54.124 52.037 0.034 0.000 0.644 233 A CB -0.398 18.602 19.000 0.000 0.000 0.805 233 A HN 0.418 nan 8.150 nan 0.000 0.449 234 S N -1.498 114.228 115.700 0.044 0.000 2.497 234 S HA 0.075 4.545 4.470 -0.000 0.000 0.218 234 S C 0.743 175.375 174.600 0.053 0.000 1.023 234 S CA -0.550 57.668 58.200 0.029 0.000 0.913 234 S CB -0.248 62.954 63.200 0.002 0.000 0.800 234 S HN 0.698 nan 8.310 nan 0.000 0.505 235 H N 3.174 122.244 119.070 -0.000 0.000 3.140 235 H HA -0.012 4.544 4.556 -0.000 0.000 0.316 235 H C 0.869 176.197 175.328 0.001 0.000 0.986 235 H CA 0.722 56.771 56.048 0.002 0.000 1.397 235 H CB 0.507 30.271 29.762 0.004 0.000 1.377 235 H HN 0.185 nan 8.280 nan 0.000 0.585 236 E N 3.254 123.554 120.200 0.168 0.000 2.418 236 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 236 E C 0.757 177.486 176.600 0.215 0.000 1.026 236 E CA 0.647 57.134 56.400 0.145 0.000 0.862 236 E CB 0.262 29.987 29.700 0.042 0.000 0.799 236 E HN 0.578 nan 8.360 nan 0.000 0.518 237 D N -0.375 120.270 120.400 0.408 0.000 2.433 237 D HA 0.038 4.678 4.640 -0.000 0.000 0.211 237 D C -0.415 175.872 176.300 -0.022 0.000 1.114 237 D CA -0.018 54.061 54.000 0.132 0.000 0.837 237 D CB 0.716 41.580 40.800 0.105 0.000 0.984 237 D HN -0.194 nan 8.370 nan 0.000 0.505 238 V N 1.819 121.723 119.914 -0.017 0.000 2.461 238 V HA 0.102 4.222 4.120 -0.000 0.000 0.275 238 V C 0.959 177.042 176.094 -0.018 0.000 1.047 238 V CA -0.160 62.104 62.300 -0.060 0.000 0.955 238 V CB 1.670 33.469 31.823 -0.039 0.000 0.988 238 V HN 0.081 nan 8.190 nan 0.000 0.471 239 D N 3.393 123.769 120.400 -0.040 0.000 2.249 239 D HA 0.044 4.683 4.640 -0.000 0.000 0.205 239 D C 0.743 177.027 176.300 -0.028 0.000 0.962 239 D CA 0.858 54.841 54.000 -0.029 0.000 0.860 239 D CB 0.734 41.507 40.800 -0.046 0.000 0.955 239 D HN 0.503 nan 8.370 nan 0.000 0.505 240 K N 0.505 120.888 120.400 -0.028 0.000 2.543 240 K HA 0.377 4.696 4.320 -0.000 0.000 0.255 240 K C -2.071 174.528 176.600 -0.001 0.000 0.934 240 K CA -0.563 55.708 56.287 -0.028 0.000 0.810 240 K CB 3.058 35.525 32.500 -0.056 0.000 1.315 240 K HN -0.201 nan 8.250 nan 0.000 0.433 241 V N 2.770 122.686 119.914 0.003 0.000 2.540 241 V HA 0.827 4.947 4.120 -0.000 0.000 0.302 241 V C -1.358 174.767 176.094 0.051 0.000 1.035 241 V CA -0.341 61.983 62.300 0.040 0.000 0.873 241 V CB 1.512 33.364 31.823 0.048 0.000 0.992 241 V HN 0.894 nan 8.190 nan 0.000 0.428 242 A N 6.757 129.630 122.820 0.089 0.000 2.285 242 A HA 0.766 5.086 4.320 -0.000 0.000 0.310 242 A C -1.148 176.523 177.584 0.146 0.000 1.266 242 A CA -0.415 51.679 52.037 0.095 0.000 0.832 242 A CB 0.623 19.686 19.000 0.104 0.000 1.163 242 A HN 1.028 nan 8.150 nan 0.000 0.499 243 F N 2.509 122.466 119.950 0.012 0.000 2.450 243 F HA 0.727 5.253 4.527 -0.000 0.000 0.332 243 F C -0.187 175.622 175.800 0.015 0.000 1.093 243 F CA -0.013 57.996 58.000 0.015 0.000 1.003 243 F CB 2.138 41.142 39.000 0.006 0.000 1.151 243 F HN 0.371 nan 8.300 nan 0.000 0.474 244 T N 4.588 118.517 114.554 -1.043 0.000 2.965 244 T HA 0.721 5.070 4.350 -0.000 0.000 0.306 244 T C -0.180 173.915 174.700 -1.008 0.000 0.991 244 T CA -0.349 61.314 62.100 -0.727 0.000 1.001 244 T CB 0.986 69.683 68.868 -0.286 0.000 0.984 244 T HN 1.097 nan 8.240 nan 0.000 0.446 245 G N 1.948 110.310 108.800 -0.729 0.000 2.485 245 G HA2 0.499 4.458 3.960 -0.000 0.000 0.182 245 G HA3 0.499 4.458 3.960 -0.000 0.000 0.182 245 G C -0.580 174.286 174.900 -0.057 0.000 1.172 245 G CA -0.244 44.624 45.100 -0.386 0.000 0.996 245 G HN 0.913 nan 8.290 nan 0.000 0.496 246 S N -0.257 115.489 115.700 0.077 0.000 2.572 246 S HA 0.379 4.849 4.470 -0.000 0.000 0.279 246 S C 1.246 175.949 174.600 0.173 0.000 1.341 246 S CA 1.006 59.242 58.200 0.061 0.000 1.043 246 S CB 1.251 64.480 63.200 0.049 0.000 0.887 246 S HN 0.789 nan 8.310 nan 0.000 0.516 247 T N 1.030 115.667 114.554 0.138 0.000 2.977 247 T HA -0.092 4.258 4.350 -0.000 0.000 0.271 247 T C 1.497 176.248 174.700 0.085 0.000 1.105 247 T CA 1.548 63.742 62.100 0.155 0.000 1.116 247 T CB -0.326 68.674 68.868 0.220 0.000 0.878 247 T HN 0.842 nan 8.240 nan 0.000 0.509 248 E N 0.607 120.847 120.200 0.066 0.000 2.051 248 E HA -0.069 4.280 4.350 -0.000 0.000 0.189 248 E C 1.911 178.490 176.600 -0.035 0.000 0.979 248 E CA 0.618 57.029 56.400 0.017 0.000 0.803 248 E CB 0.069 29.783 29.700 0.023 0.000 0.761 248 E HN 0.274 nan 8.360 nan 0.000 0.451 249 I N 1.218 121.764 120.570 -0.041 0.000 2.493 249 I HA -0.100 4.070 4.170 -0.000 0.000 0.254 249 I C 2.491 178.318 176.117 -0.484 0.000 1.160 249 I CA 1.251 62.426 61.300 -0.209 0.000 1.445 249 I CB -1.752 36.162 38.000 -0.144 0.000 1.086 249 I HN 0.208 nan 8.210 nan 0.000 0.433 250 G N 1.450 110.042 108.800 -0.347 0.000 2.442 250 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 250 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 250 G C 1.867 176.639 174.900 -0.212 0.000 1.141 250 G CA 0.371 45.276 45.100 -0.325 0.000 0.763 250 G HN 0.359 nan 8.290 nan 0.000 0.554 251 R N -0.073 120.347 120.500 -0.133 0.000 2.081 251 R HA -0.012 4.327 4.340 -0.000 0.000 0.235 251 R C 2.599 178.828 176.300 -0.119 0.000 1.131 251 R CA 1.133 57.175 56.100 -0.097 0.000 0.960 251 R CB -0.698 29.563 30.300 -0.065 0.000 0.856 251 R HN 0.300 nan 8.270 nan 0.000 0.436 252 V N 1.805 121.627 119.914 -0.153 0.000 2.287 252 V HA -0.255 3.864 4.120 -0.000 0.000 0.248 252 V C 2.374 178.376 176.094 -0.153 0.000 1.053 252 V CA 1.594 63.809 62.300 -0.142 0.000 1.027 252 V CB -0.460 31.269 31.823 -0.156 0.000 0.646 252 V HN 0.240 nan 8.190 nan 0.000 0.447 253 I N -0.121 120.308 120.570 -0.235 0.000 2.226 253 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 253 I C 2.524 178.574 176.117 -0.111 0.000 1.100 253 I CA 1.744 62.925 61.300 -0.199 0.000 1.374 253 I CB -1.266 36.542 38.000 -0.320 0.000 1.057 253 I HN 0.451 nan 8.210 nan 0.000 0.413 254 Q N 0.517 120.256 119.800 -0.102 0.000 2.224 254 Q HA -0.118 4.221 4.340 -0.000 0.000 0.203 254 Q C 2.270 178.238 176.000 -0.053 0.000 0.970 254 Q CA 1.082 56.848 55.803 -0.062 0.000 0.865 254 Q CB 0.333 29.039 28.738 -0.052 0.000 0.922 254 Q HN 0.338 nan 8.270 nan 0.000 0.445 255 V N 0.222 120.099 119.914 -0.062 0.000 2.346 255 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 255 V C 2.207 178.276 176.094 -0.043 0.000 1.037 255 V CA 1.571 63.842 62.300 -0.049 0.000 1.029 255 V CB -0.694 31.098 31.823 -0.052 0.000 0.663 255 V HN 0.440 nan 8.190 nan 0.000 0.454 256 A N -0.208 122.583 122.820 -0.048 0.000 2.070 256 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 256 A C 2.262 179.831 177.584 -0.024 0.000 1.159 256 A CA 1.866 53.881 52.037 -0.036 0.000 0.656 256 A CB -0.450 18.526 19.000 -0.040 0.000 0.800 256 A HN 0.551 nan 8.150 nan 0.000 0.453 257 A N -0.927 121.877 122.820 -0.026 0.000 1.943 257 A HA 0.332 4.652 4.320 -0.000 0.000 0.213 257 A C 2.217 179.792 177.584 -0.015 0.000 1.181 257 A CA 1.272 53.300 52.037 -0.015 0.000 0.653 257 A CB -0.862 18.128 19.000 -0.017 0.000 0.833 257 A HN 0.654 nan 8.150 nan 0.000 0.451 258 G N -1.090 107.696 108.800 -0.022 0.000 2.712 258 G HA2 0.119 4.078 3.960 -0.000 0.000 0.212 258 G HA3 0.119 4.078 3.960 -0.000 0.000 0.212 258 G C 1.242 176.131 174.900 -0.018 0.000 1.142 258 G CA 1.083 46.171 45.100 -0.021 0.000 0.789 258 G HN 0.450 nan 8.290 nan 0.000 0.535 259 S N -0.016 115.673 115.700 -0.019 0.000 2.524 259 S HA 0.076 4.546 4.470 -0.000 0.000 0.215 259 S C 2.327 176.919 174.600 -0.013 0.000 0.986 259 S CA 0.516 58.706 58.200 -0.017 0.000 0.911 259 S CB 0.424 63.611 63.200 -0.021 0.000 0.805 259 S HN 0.537 nan 8.310 nan 0.000 0.501 260 S N 3.127 118.821 115.700 -0.009 0.000 2.432 260 S HA 0.077 4.547 4.470 -0.000 0.000 0.203 260 S C 1.054 175.656 174.600 0.003 0.000 0.987 260 S CA 0.578 58.776 58.200 -0.003 0.000 0.908 260 S CB -0.331 62.872 63.200 0.005 0.000 0.883 260 S HN 0.508 nan 8.310 nan 0.000 0.577 261 N N 0.673 119.378 118.700 0.008 0.000 2.217 261 N HA 0.221 4.961 4.740 -0.000 0.000 0.239 261 N C -0.008 175.505 175.510 0.005 0.000 1.330 261 N CA -0.025 53.032 53.050 0.012 0.000 0.838 261 N CB -0.514 37.989 38.487 0.027 0.000 1.287 261 N HN 0.473 nan 8.380 nan 0.000 0.498 262 L N 0.213 121.435 121.223 -0.002 0.000 3.717 262 L HA -0.287 4.052 4.340 -0.000 0.000 0.411 262 L C -0.070 176.794 176.870 -0.009 0.000 1.233 262 L CA 0.803 55.638 54.840 -0.008 0.000 0.917 262 L CB -1.659 40.395 42.059 -0.009 0.000 1.902 262 L HN 0.450 nan 8.230 nan 0.000 0.894 263 K N 0.325 120.721 120.400 -0.006 0.000 2.319 263 K HA 0.374 4.694 4.320 -0.000 0.000 0.265 263 K C 0.515 177.102 176.600 -0.022 0.000 1.000 263 K CA -0.657 55.625 56.287 -0.009 0.000 0.943 263 K CB 0.789 33.289 32.500 -0.001 0.000 0.950 263 K HN 0.127 nan 8.250 nan 0.000 0.485 264 R N 1.295 121.775 120.500 -0.034 0.000 2.491 264 R HA 0.134 4.474 4.340 -0.000 0.000 0.283 264 R C -1.012 175.257 176.300 -0.051 0.000 1.072 264 R CA -0.290 55.779 56.100 -0.051 0.000 1.048 264 R CB 0.644 30.900 30.300 -0.074 0.000 0.983 264 R HN 0.513 nan 8.270 nan 0.000 0.450 265 V N 3.139 123.022 119.914 -0.051 0.000 2.525 265 V HA 0.293 4.413 4.120 -0.000 0.000 0.299 265 V C -0.305 175.763 176.094 -0.043 0.000 1.034 265 V CA -0.874 61.404 62.300 -0.036 0.000 0.863 265 V CB 1.904 33.714 31.823 -0.021 0.000 0.999 265 V HN 0.947 nan 8.190 nan 0.000 0.423 266 T N 3.262 117.794 114.554 -0.037 0.000 2.807 266 T HA 0.844 5.194 4.350 -0.000 0.000 0.279 266 T C -0.819 173.895 174.700 0.024 0.000 0.993 266 T CA -0.632 61.444 62.100 -0.040 0.000 0.970 266 T CB 1.543 70.352 68.868 -0.098 0.000 0.950 266 T HN 0.364 nan 8.240 nan 0.000 0.441 267 L N 2.558 123.799 121.223 0.029 0.000 2.346 267 L HA 0.563 4.903 4.340 -0.000 0.000 0.276 267 L C -0.265 176.626 176.870 0.035 0.000 1.006 267 L CA -0.895 54.001 54.840 0.094 0.000 0.817 267 L CB 1.917 44.046 42.059 0.116 0.000 1.272 267 L HN 0.662 nan 8.230 nan 0.000 0.421 268 E N 5.522 125.738 120.200 0.027 0.000 2.255 268 E HA 0.444 4.794 4.350 -0.000 0.000 0.245 268 E C -0.788 175.801 176.600 -0.017 0.000 0.909 268 E CA -0.245 56.129 56.400 -0.044 0.000 0.747 268 E CB 1.966 31.625 29.700 -0.069 0.000 1.215 268 E HN 0.455 nan 8.360 nan 0.000 0.424 269 L N 0.204 121.446 121.223 0.031 0.000 2.492 269 L HA 0.613 4.953 4.340 -0.000 0.000 0.263 269 L C 1.348 178.245 176.870 0.046 0.000 1.062 269 L CA -1.006 53.881 54.840 0.077 0.000 0.817 269 L CB 0.520 42.673 42.059 0.158 0.000 1.441 269 L HN 0.434 nan 8.230 nan 0.000 0.493 270 G N -1.384 107.436 108.800 0.032 0.000 2.489 270 G HA2 0.551 4.511 3.960 -0.000 0.000 0.271 270 G HA3 0.551 4.511 3.960 -0.000 0.000 0.271 270 G C -0.405 174.278 174.900 -0.361 0.000 1.427 270 G CA 0.202 45.241 45.100 -0.102 0.000 1.057 270 G HN 0.890 nan 8.290 nan 0.000 0.532 271 G N -2.230 106.152 108.800 -0.697 0.000 2.466 271 G HA2 0.451 4.411 3.960 -0.000 0.000 0.291 271 G HA3 0.451 4.411 3.960 -0.000 0.000 0.291 271 G C -1.427 173.128 174.900 -0.575 0.000 1.460 271 G CA -0.576 43.972 45.100 -0.920 0.000 0.791 271 G HN 0.531 nan 8.290 nan 0.000 0.505 272 K N 0.811 121.061 120.400 -0.249 0.000 3.163 272 K HA 0.486 4.806 4.320 -0.000 0.000 0.186 272 K C 0.246 176.911 176.600 0.108 0.000 1.111 272 K CA -0.391 55.897 56.287 0.002 0.000 0.918 272 K CB 0.058 32.652 32.500 0.157 0.000 1.059 272 K HN 0.427 nan 8.250 nan 0.000 0.558 273 S N 3.781 119.553 115.700 0.121 0.000 2.546 273 S HA 0.079 4.549 4.470 -0.000 0.000 0.290 273 S C -2.270 172.476 174.600 0.244 0.000 1.262 273 S CA -0.558 57.767 58.200 0.207 0.000 1.083 273 S CB 0.112 63.499 63.200 0.312 0.000 0.859 273 S HN 0.386 nan 8.310 nan 0.000 0.495 274 P HA 0.194 nan 4.420 nan 0.000 0.290 274 P C -1.028 176.475 177.300 0.338 0.000 1.276 274 P CA -0.664 62.632 63.100 0.326 0.000 0.808 274 P CB 0.601 32.472 31.700 0.284 0.000 0.966 275 N N 3.855 122.756 118.700 0.335 0.000 2.564 275 N HA 0.283 5.023 4.740 -0.000 0.000 0.248 275 N C -0.691 174.985 175.510 0.276 0.000 0.986 275 N CA -0.580 52.662 53.050 0.321 0.000 0.921 275 N CB 0.502 39.085 38.487 0.160 0.000 1.136 275 N HN 0.310 nan 8.380 nan 0.000 0.509 276 I N 4.276 125.010 120.570 0.274 0.000 2.352 276 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 276 I C -0.051 176.235 176.117 0.281 0.000 1.036 276 I CA -0.562 60.871 61.300 0.221 0.000 1.336 276 I CB 1.000 39.024 38.000 0.040 0.000 1.407 276 I HN 0.343 nan 8.210 nan 0.000 0.497 277 I N 7.158 127.879 120.570 0.252 0.000 2.359 277 I HA 0.310 4.480 4.170 -0.000 0.000 0.284 277 I C 0.162 176.424 176.117 0.241 0.000 1.018 277 I CA -0.607 60.790 61.300 0.162 0.000 1.173 277 I CB 0.903 38.765 38.000 -0.230 0.000 1.326 277 I HN 0.482 nan 8.210 nan 0.000 0.462 278 M N 3.605 123.370 119.600 0.275 0.000 2.228 278 M HA 0.124 4.604 4.480 -0.000 0.000 0.326 278 M C 1.725 178.102 176.300 0.128 0.000 1.122 278 M CA 0.025 55.465 55.300 0.234 0.000 1.161 278 M CB 0.544 33.274 32.600 0.216 0.000 1.437 278 M HN 0.670 nan 8.290 nan 0.000 0.465 279 S N 0.422 116.162 115.700 0.067 0.000 2.440 279 S HA -0.168 4.302 4.470 -0.000 0.000 0.238 279 S C 0.809 175.455 174.600 0.076 0.000 1.010 279 S CA 1.457 59.683 58.200 0.044 0.000 0.972 279 S CB -0.542 62.664 63.200 0.010 0.000 0.774 279 S HN 0.748 nan 8.310 nan 0.000 0.501 280 D N 1.542 121.999 120.400 0.095 0.000 2.339 280 D HA 0.379 5.019 4.640 -0.000 0.000 0.217 280 D C 0.662 177.042 176.300 0.132 0.000 1.050 280 D CA 0.224 54.283 54.000 0.098 0.000 0.856 280 D CB -0.383 40.466 40.800 0.080 0.000 0.922 280 D HN 0.533 nan 8.370 nan 0.000 0.518 281 A N 0.544 123.468 122.820 0.173 0.000 2.448 281 A HA 0.181 4.501 4.320 -0.000 0.000 0.239 281 A C 0.146 177.873 177.584 0.238 0.000 1.080 281 A CA -0.250 51.934 52.037 0.244 0.000 0.779 281 A CB 0.102 19.297 19.000 0.326 0.000 1.026 281 A HN 0.115 nan 8.150 nan 0.000 0.499 282 D N 1.502 122.079 120.400 0.294 0.000 2.342 282 D HA 0.155 4.795 4.640 -0.000 0.000 0.260 282 D C 1.024 177.502 176.300 0.297 0.000 1.278 282 D CA -0.180 53.980 54.000 0.266 0.000 0.910 282 D CB 0.338 41.308 40.800 0.284 0.000 1.079 282 D HN 0.415 nan 8.370 nan 0.000 0.496 283 M N 3.590 123.320 119.600 0.217 0.000 2.088 283 M HA -0.224 4.256 4.480 -0.000 0.000 0.256 283 M C 1.041 177.439 176.300 0.165 0.000 1.071 283 M CA 1.888 57.306 55.300 0.198 0.000 1.097 283 M CB -0.412 32.272 32.600 0.140 0.000 1.315 283 M HN 0.379 nan 8.290 nan 0.000 0.406 284 D N -1.013 119.480 120.400 0.155 0.000 2.092 284 D HA -0.237 4.402 4.640 -0.000 0.000 0.193 284 D C 1.763 178.186 176.300 0.204 0.000 0.994 284 D CA 1.668 55.747 54.000 0.132 0.000 0.828 284 D CB -0.655 40.224 40.800 0.132 0.000 0.963 284 D HN 0.650 nan 8.370 nan 0.000 0.450 285 W N 1.515 122.862 121.300 0.078 0.000 2.355 285 W HA -0.240 4.419 4.660 -0.001 0.000 0.309 285 W C 2.173 178.788 176.519 0.160 0.000 1.206 285 W CA 1.576 58.996 57.345 0.125 0.000 1.284 285 W CB -0.148 29.413 29.460 0.168 0.000 1.145 285 W HN 0.007 nan 8.180 nan 0.000 0.502 286 A N 0.472 123.409 122.820 0.196 0.000 1.865 286 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 286 A C 2.036 179.538 177.584 -0.136 0.000 1.191 286 A CA 2.518 54.504 52.037 -0.084 0.000 0.623 286 A CB -1.319 17.786 19.000 0.175 0.000 0.826 286 A HN 0.160 nan 8.150 nan 0.000 0.444 287 V N 0.138 120.021 119.914 -0.053 0.000 2.252 287 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 287 V C 2.675 178.635 176.094 -0.223 0.000 1.056 287 V CA 2.633 64.743 62.300 -0.315 0.000 1.022 287 V CB -0.797 30.782 31.823 -0.406 0.000 0.641 287 V HN 0.749 nan 8.190 nan 0.000 0.445 288 E N -0.258 119.835 120.200 -0.177 0.000 2.110 288 E HA -0.211 4.138 4.350 -0.000 0.000 0.193 288 E C 2.252 178.755 176.600 -0.162 0.000 0.988 288 E CA 1.392 57.701 56.400 -0.151 0.000 0.804 288 E CB -0.243 29.388 29.700 -0.114 0.000 0.745 288 E HN 0.534 nan 8.360 nan 0.000 0.458 289 Q N -0.368 119.210 119.800 -0.371 0.000 2.083 289 Q HA 0.007 4.347 4.340 -0.000 0.000 0.198 289 Q C 2.176 178.052 176.000 -0.206 0.000 0.969 289 Q CA 1.353 56.943 55.803 -0.355 0.000 0.838 289 Q CB -0.430 27.979 28.738 -0.547 0.000 0.900 289 Q HN 0.393 nan 8.270 nan 0.000 0.436 290 A N 0.254 122.911 122.820 -0.271 0.000 1.933 290 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 290 A C 1.902 179.457 177.584 -0.048 0.000 1.175 290 A CA 1.954 53.885 52.037 -0.178 0.000 0.628 290 A CB -0.759 18.265 19.000 0.041 0.000 0.814 290 A HN 0.483 nan 8.150 nan 0.000 0.444 291 H N -1.718 117.331 119.070 -0.035 0.000 2.321 291 H HA -0.134 4.421 4.556 -0.000 0.000 0.300 291 H C 1.712 177.163 175.328 0.206 0.000 1.087 291 H CA 2.144 58.272 56.048 0.133 0.000 1.319 291 H CB -0.394 29.379 29.762 0.017 0.000 1.379 291 H HN 0.468 nan 8.280 nan 0.000 0.501 292 F N 0.779 120.752 119.950 0.038 0.000 2.134 292 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 292 F C 2.510 178.243 175.800 -0.111 0.000 1.097 292 F CA 1.366 59.361 58.000 -0.009 0.000 1.264 292 F CB -0.636 38.315 39.000 -0.083 0.000 1.001 292 F HN 0.301 nan 8.300 nan 0.000 0.479 293 A N 0.342 122.989 122.820 -0.288 0.000 1.948 293 A HA -0.212 4.107 4.320 -0.000 0.000 0.220 293 A C 2.171 179.415 177.584 -0.567 0.000 1.177 293 A CA 2.215 53.816 52.037 -0.727 0.000 0.636 293 A CB -0.982 17.390 19.000 -1.045 0.000 0.815 293 A HN 0.613 nan 8.150 nan 0.000 0.449 294 L N -3.085 117.883 121.223 -0.424 0.000 2.356 294 L HA 0.254 4.593 4.340 -0.000 0.000 0.193 294 L C 2.109 178.693 176.870 -0.475 0.000 1.087 294 L CA 0.612 55.178 54.840 -0.456 0.000 0.817 294 L CB -0.065 41.658 42.059 -0.559 0.000 1.035 294 L HN 0.297 nan 8.230 nan 0.000 0.482 295 F N -0.167 119.580 119.950 -0.338 0.000 2.408 295 F HA -0.139 4.387 4.527 -0.000 0.000 0.300 295 F C 1.050 176.727 175.800 -0.204 0.000 1.090 295 F CA 0.444 58.264 58.000 -0.299 0.000 1.427 295 F CB -0.608 38.113 39.000 -0.465 0.000 1.070 295 F HN -0.028 nan 8.300 nan 0.000 0.549 296 F N 1.987 121.765 119.950 -0.286 0.000 2.629 296 F HA -0.066 4.461 4.527 -0.000 0.000 0.377 296 F C 1.208 176.898 175.800 -0.184 0.000 1.101 296 F CA -0.123 57.693 58.000 -0.308 0.000 1.301 296 F CB 0.087 38.679 39.000 -0.681 0.000 1.062 296 F HN 0.078 nan 8.300 nan 0.000 0.583 297 N N 3.574 121.683 118.700 -0.984 0.000 2.725 297 N HA -0.297 4.442 4.740 -0.000 0.000 0.251 297 N C -0.110 175.126 175.510 -0.457 0.000 1.031 297 N CA 1.357 53.890 53.050 -0.862 0.000 0.720 297 N CB -0.965 36.854 38.487 -1.114 0.000 0.930 297 N HN 0.765 nan 8.380 nan 0.000 0.543 298 Q N -1.990 117.654 119.800 -0.259 0.000 2.480 298 Q HA -0.174 4.166 4.340 -0.000 0.000 0.265 298 Q C 1.210 177.105 176.000 -0.175 0.000 1.072 298 Q CA 2.195 57.917 55.803 -0.136 0.000 1.018 298 Q CB -1.842 26.823 28.738 -0.121 0.000 1.433 298 Q HN 1.172 nan 8.270 nan 0.000 0.513 299 G N -0.998 107.654 108.800 -0.246 0.000 2.168 299 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.263 299 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.263 299 G C 0.163 174.777 174.900 -0.477 0.000 0.977 299 G CA 0.496 45.404 45.100 -0.320 0.000 0.659 299 G HN 0.482 nan 8.290 nan 0.000 0.533 300 Q N -0.063 119.402 119.800 -0.558 0.000 3.247 300 Q HA 0.444 4.784 4.340 -0.000 0.000 0.326 300 Q C -0.088 175.314 176.000 -0.997 0.000 1.402 300 Q CA -0.100 55.107 55.803 -0.993 0.000 0.994 300 Q CB 0.230 28.701 28.738 -0.446 0.000 1.647 300 Q HN 0.411 nan 8.270 nan 0.000 0.523 301 C N -0.413 118.410 119.300 -0.795 0.000 2.441 301 C HA 0.205 4.664 4.460 -0.000 0.000 0.318 301 C C 1.980 176.984 174.990 0.023 0.000 1.222 301 C CA -1.077 57.844 59.018 -0.160 0.000 1.474 301 C CB 0.627 28.451 27.740 0.140 0.000 2.125 301 C HN 0.887 nan 8.230 nan 0.000 0.479 302 C N 0.163 119.655 119.300 0.320 0.000 2.413 302 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 302 C C 1.987 177.173 174.990 0.326 0.000 1.265 302 C CA 1.331 60.586 59.018 0.394 0.000 1.752 302 C CB -2.209 25.744 27.740 0.354 0.000 1.998 302 C HN 0.944 nan 8.230 nan 0.000 0.489 303 C N 1.343 120.902 119.300 0.432 0.000 2.589 303 C HA 0.730 5.189 4.460 -0.000 0.000 0.307 303 C C 1.299 176.567 174.990 0.464 0.000 1.328 303 C CA -0.913 58.401 59.018 0.492 0.000 1.742 303 C CB -2.513 25.680 27.740 0.754 0.000 2.037 303 C HN 0.700 nan 8.230 nan 0.000 0.592 304 A N 1.032 124.011 122.820 0.265 0.000 2.531 304 A HA 0.465 4.785 4.320 -0.000 0.000 0.236 304 A C 1.126 178.782 177.584 0.120 0.000 1.062 304 A CA 0.749 52.863 52.037 0.127 0.000 0.760 304 A CB -0.075 18.886 19.000 -0.066 0.000 0.995 304 A HN 1.118 nan 8.150 nan 0.000 0.501 305 G N 1.385 110.140 108.800 -0.075 0.000 3.008 305 G HA2 0.328 4.288 3.960 -0.000 0.000 0.272 305 G HA3 0.328 4.288 3.960 -0.000 0.000 0.272 305 G C 0.933 175.766 174.900 -0.111 0.000 0.764 305 G CA 0.391 45.428 45.100 -0.105 0.000 2.029 305 G HN 1.153 nan 8.290 nan 0.000 0.587 306 S N 0.835 116.510 115.700 -0.043 0.000 2.607 306 S HA 0.110 4.580 4.470 -0.000 0.000 0.224 306 S C 1.055 175.617 174.600 -0.062 0.000 0.969 306 S CA -0.073 58.079 58.200 -0.081 0.000 0.927 306 S CB 0.343 63.498 63.200 -0.076 0.000 0.772 306 S HN 0.421 nan 8.310 nan 0.000 0.533 307 R N 1.713 122.202 120.500 -0.018 0.000 2.513 307 R HA 0.271 4.610 4.340 -0.000 0.000 0.283 307 R C -1.209 175.047 176.300 -0.074 0.000 1.535 307 R CA -0.104 55.944 56.100 -0.087 0.000 1.315 307 R CB 1.169 31.468 30.300 -0.002 0.000 1.163 307 R HN 0.122 nan 8.270 nan 0.000 0.573 308 T N 3.811 118.303 114.554 -0.103 0.000 2.855 308 T HA 0.194 4.544 4.350 -0.000 0.000 0.290 308 T C -0.064 174.604 174.700 -0.053 0.000 0.941 308 T CA 0.129 62.214 62.100 -0.024 0.000 1.030 308 T CB -0.298 68.583 68.868 0.021 0.000 0.935 308 T HN 0.153 nan 8.240 nan 0.000 0.564 309 F N 2.630 122.622 119.950 0.070 0.000 2.438 309 F HA 0.400 4.927 4.527 -0.000 0.000 0.356 309 F C 0.444 176.412 175.800 0.280 0.000 1.099 309 F CA -0.561 57.549 58.000 0.183 0.000 1.185 309 F CB 0.774 39.783 39.000 0.015 0.000 1.115 309 F HN 0.169 nan 8.300 nan 0.000 0.526 310 V N 3.938 124.130 119.914 0.462 0.000 2.588 310 V HA 0.252 4.372 4.120 -0.000 0.000 0.304 310 V C -0.124 175.885 176.094 -0.143 0.000 1.042 310 V CA -1.123 61.245 62.300 0.112 0.000 0.877 310 V CB 1.561 33.250 31.823 -0.224 0.000 0.996 310 V HN 0.555 nan 8.190 nan 0.000 0.425 311 Q N 2.988 122.461 119.800 -0.545 0.000 2.361 311 Q HA 0.025 4.364 4.340 -0.000 0.000 0.276 311 Q C 1.416 177.206 176.000 -0.350 0.000 1.022 311 Q CA 0.437 55.681 55.803 -0.932 0.000 0.898 311 Q CB 1.157 29.571 28.738 -0.540 0.000 1.246 311 Q HN 1.010 nan 8.270 nan 0.000 0.410 312 E N 2.751 122.765 120.200 -0.309 0.000 2.070 312 E HA -0.268 4.082 4.350 -0.000 0.000 0.197 312 E C 0.522 177.114 176.600 -0.014 0.000 1.004 312 E CA 1.710 58.045 56.400 -0.107 0.000 0.805 312 E CB -0.111 29.516 29.700 -0.121 0.000 0.744 312 E HN 0.565 nan 8.360 nan 0.000 0.451 313 D N 1.175 121.550 120.400 -0.042 0.000 2.228 313 D HA -0.161 4.479 4.640 -0.000 0.000 0.203 313 D C 2.003 178.326 176.300 0.037 0.000 0.988 313 D CA 1.704 55.704 54.000 0.000 0.000 0.864 313 D CB -0.191 40.603 40.800 -0.009 0.000 0.928 313 D HN 0.650 nan 8.370 nan 0.000 0.469 314 I N -3.939 116.656 120.570 0.042 0.000 4.154 314 I HA 0.196 4.366 4.170 -0.000 0.000 0.334 314 I C 1.702 177.894 176.117 0.124 0.000 1.371 314 I CA -0.579 60.769 61.300 0.080 0.000 1.110 314 I CB -0.043 38.001 38.000 0.075 0.000 1.085 314 I HN -0.225 nan 8.210 nan 0.000 0.398 315 Y N 2.842 123.147 120.300 0.007 0.000 2.053 315 Y HA -0.326 4.223 4.550 -0.000 0.000 0.277 315 Y C 2.099 178.069 175.900 0.116 0.000 1.159 315 Y CA 2.404 60.530 58.100 0.044 0.000 1.125 315 Y CB -0.179 38.280 38.460 -0.003 0.000 0.969 315 Y HN 0.211 nan 8.280 nan 0.000 0.492 316 D N 0.092 120.634 120.400 0.238 0.000 2.106 316 D HA -0.243 4.396 4.640 -0.000 0.000 0.191 316 D C 2.125 178.443 176.300 0.031 0.000 0.997 316 D CA 1.887 55.968 54.000 0.135 0.000 0.834 316 D CB -0.561 40.330 40.800 0.152 0.000 0.956 316 D HN 0.617 nan 8.370 nan 0.000 0.448 317 E N -0.676 119.559 120.200 0.058 0.000 2.077 317 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 317 E C 2.094 178.701 176.600 0.011 0.000 0.989 317 E CA 0.489 56.909 56.400 0.034 0.000 0.800 317 E CB -0.195 29.537 29.700 0.054 0.000 0.746 317 E HN 0.212 nan 8.360 nan 0.000 0.452 318 F N 0.725 120.610 119.950 -0.108 0.000 2.075 318 F HA -0.234 4.293 4.527 -0.000 0.000 0.297 318 F C 2.133 177.827 175.800 -0.178 0.000 1.113 318 F CA 1.454 59.373 58.000 -0.135 0.000 1.218 318 F CB -0.366 38.545 39.000 -0.149 0.000 0.984 318 F HN -0.128 nan 8.300 nan 0.000 0.472 319 V N 0.419 120.266 119.914 -0.111 0.000 2.287 319 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 319 V C 2.402 178.399 176.094 -0.161 0.000 1.053 319 V CA 2.352 64.542 62.300 -0.183 0.000 1.027 319 V CB -0.766 30.898 31.823 -0.265 0.000 0.646 319 V HN 0.398 nan 8.190 nan 0.000 0.447 320 E N -0.084 120.044 120.200 -0.120 0.000 2.070 320 E HA -0.272 4.077 4.350 -0.000 0.000 0.197 320 E C 2.493 179.013 176.600 -0.134 0.000 1.004 320 E CA 1.662 58.006 56.400 -0.094 0.000 0.805 320 E CB -0.048 29.617 29.700 -0.058 0.000 0.744 320 E HN 0.546 nan 8.360 nan 0.000 0.451 321 R N -0.210 120.179 120.500 -0.186 0.000 2.092 321 R HA -0.032 4.307 4.340 -0.000 0.000 0.231 321 R C 2.610 178.745 176.300 -0.276 0.000 1.119 321 R CA 1.243 57.210 56.100 -0.222 0.000 0.970 321 R CB -0.115 30.034 30.300 -0.253 0.000 0.864 321 R HN 0.009 nan 8.270 nan 0.000 0.440 322 S N 0.379 115.865 115.700 -0.357 0.000 2.356 322 S HA -0.104 4.366 4.470 -0.000 0.000 0.223 322 S C 2.110 176.619 174.600 -0.152 0.000 1.032 322 S CA 1.266 59.287 58.200 -0.299 0.000 1.005 322 S CB -0.144 62.865 63.200 -0.318 0.000 0.867 322 S HN 0.064 nan 8.310 nan 0.000 0.449 323 V N 2.112 121.949 119.914 -0.129 0.000 2.343 323 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 323 V C 2.652 178.680 176.094 -0.111 0.000 1.051 323 V CA 1.688 63.933 62.300 -0.090 0.000 1.036 323 V CB -1.265 30.514 31.823 -0.073 0.000 0.654 323 V HN 0.538 nan 8.190 nan 0.000 0.451 324 A N 0.404 123.147 122.820 -0.129 0.000 1.908 324 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 324 A C 2.315 179.796 177.584 -0.171 0.000 1.181 324 A CA 2.263 54.222 52.037 -0.130 0.000 0.627 324 A CB -0.547 18.379 19.000 -0.124 0.000 0.818 324 A HN 0.460 nan 8.150 nan 0.000 0.445 325 R N 0.164 120.528 120.500 -0.226 0.000 2.096 325 R HA -0.000 4.340 4.340 -0.000 0.000 0.235 325 R C 2.115 178.189 176.300 -0.376 0.000 1.127 325 R CA 1.885 57.771 56.100 -0.357 0.000 0.968 325 R CB -0.884 29.132 30.300 -0.474 0.000 0.861 325 R HN 0.399 nan 8.270 nan 0.000 0.440 326 A N 0.683 123.366 122.820 -0.229 0.000 1.877 326 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 326 A C 2.023 179.499 177.584 -0.180 0.000 1.186 326 A CA 1.695 53.604 52.037 -0.212 0.000 0.620 326 A CB -0.442 18.480 19.000 -0.129 0.000 0.822 326 A HN 0.374 nan 8.150 nan 0.000 0.443 327 K N 0.313 120.631 120.400 -0.136 0.000 2.152 327 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 327 K C 2.201 178.738 176.600 -0.105 0.000 1.048 327 K CA 1.604 57.829 56.287 -0.104 0.000 0.933 327 K CB -0.171 32.278 32.500 -0.085 0.000 0.721 327 K HN 0.673 nan 8.250 nan 0.000 0.447 328 S N 0.528 116.149 115.700 -0.132 0.000 2.527 328 S HA -0.041 4.428 4.470 -0.000 0.000 0.222 328 S C 0.887 175.420 174.600 -0.112 0.000 0.985 328 S CA -0.196 57.934 58.200 -0.117 0.000 0.921 328 S CB -0.069 63.055 63.200 -0.127 0.000 0.772 328 S HN 0.147 nan 8.310 nan 0.000 0.529 329 R N 2.099 122.519 120.500 -0.135 0.000 2.446 329 R HA 0.192 4.532 4.340 -0.000 0.000 0.325 329 R C -0.941 175.331 176.300 -0.048 0.000 0.997 329 R CA -0.128 55.917 56.100 -0.093 0.000 1.010 329 R CB 0.075 30.308 30.300 -0.112 0.000 0.946 329 R HN 0.178 nan 8.270 nan 0.000 0.422 330 V N 6.288 126.189 119.914 -0.022 0.000 2.479 330 V HA 0.064 4.184 4.120 -0.000 0.000 0.281 330 V C 0.296 176.401 176.094 0.018 0.000 1.031 330 V CA -0.073 62.222 62.300 -0.009 0.000 1.038 330 V CB 1.123 32.944 31.823 -0.003 0.000 0.981 330 V HN 0.457 nan 8.190 nan 0.000 0.478 331 V N 4.575 124.495 119.914 0.011 0.000 2.581 331 V HA 1.031 5.150 4.120 -0.000 0.000 0.303 331 V C 0.619 176.691 176.094 -0.037 0.000 1.041 331 V CA 0.543 62.873 62.300 0.051 0.000 0.907 331 V CB 1.223 33.091 31.823 0.076 0.000 0.994 331 V HN 1.201 nan 8.190 nan 0.000 0.442 332 G N 3.072 111.871 108.800 -0.002 0.000 2.351 332 G HA2 0.073 4.033 3.960 -0.000 0.000 0.279 332 G HA3 0.073 4.033 3.960 -0.000 0.000 0.279 332 G C -0.958 173.977 174.900 0.057 0.000 1.297 332 G CA -0.800 44.187 45.100 -0.189 0.000 0.886 332 G HN 0.699 nan 8.290 nan 0.000 0.493 333 N N 2.208 120.913 118.700 0.009 0.000 2.386 333 N HA 0.153 4.893 4.740 -0.000 0.000 0.273 333 N C -0.310 175.271 175.510 0.120 0.000 1.331 333 N CA -0.756 52.368 53.050 0.123 0.000 0.891 333 N CB 1.197 39.742 38.487 0.097 0.000 1.139 333 N HN 0.200 nan 8.380 nan 0.000 0.487 334 P HA -0.174 nan 4.420 nan 0.000 0.220 334 P C 0.871 178.098 177.300 -0.122 0.000 1.144 334 P CA 1.340 64.401 63.100 -0.065 0.000 0.800 334 P CB -0.049 31.526 31.700 -0.209 0.000 0.772 335 F N 0.014 120.007 119.950 0.072 0.000 2.558 335 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 335 F C 1.195 177.016 175.800 0.036 0.000 1.119 335 F CA 0.263 58.283 58.000 0.034 0.000 1.451 335 F CB -0.308 38.664 39.000 -0.047 0.000 1.091 335 F HN -0.190 nan 8.300 nan 0.000 0.563 336 D N 0.192 120.698 120.400 0.178 0.000 2.348 336 D HA 0.017 4.656 4.640 -0.000 0.000 0.253 336 D C 1.344 177.708 176.300 0.107 0.000 1.161 336 D CA 0.285 54.354 54.000 0.115 0.000 0.876 336 D CB 1.461 42.304 40.800 0.071 0.000 1.160 336 D HN 0.103 nan 8.370 nan 0.000 0.459 337 S N 2.845 118.606 115.700 0.102 0.000 2.420 337 S HA -0.221 4.249 4.470 -0.000 0.000 0.237 337 S C 1.306 175.949 174.600 0.071 0.000 1.023 337 S CA 0.981 59.240 58.200 0.097 0.000 0.991 337 S CB -0.024 63.225 63.200 0.082 0.000 0.792 337 S HN 0.425 nan 8.310 nan 0.000 0.488 338 K N 1.050 121.483 120.400 0.054 0.000 2.418 338 K HA 0.107 4.427 4.320 -0.000 0.000 0.195 338 K C -0.008 176.617 176.600 0.041 0.000 1.035 338 K CA 0.386 56.696 56.287 0.038 0.000 1.003 338 K CB -0.081 32.432 32.500 0.021 0.000 0.793 338 K HN 0.297 nan 8.250 nan 0.000 0.494 339 T N 1.918 116.503 114.554 0.053 0.000 2.799 339 T HA 0.047 4.397 4.350 -0.000 0.000 0.296 339 T C 0.776 175.518 174.700 0.069 0.000 0.947 339 T CA 0.178 62.312 62.100 0.057 0.000 1.141 339 T CB 1.126 70.035 68.868 0.068 0.000 0.891 339 T HN 0.181 nan 8.240 nan 0.000 0.533 340 E N 1.880 122.122 120.200 0.070 0.000 2.162 340 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 340 E C 0.870 177.527 176.600 0.094 0.000 0.953 340 E CA 0.228 56.682 56.400 0.091 0.000 0.849 340 E CB 0.484 30.236 29.700 0.088 0.000 0.810 340 E HN 0.572 nan 8.360 nan 0.000 0.470 341 Q N 0.500 120.355 119.800 0.091 0.000 2.330 341 Q HA 0.425 4.765 4.340 -0.000 0.000 0.269 341 Q C -0.470 175.614 176.000 0.140 0.000 1.022 341 Q CA -0.629 55.232 55.803 0.097 0.000 0.796 341 Q CB 1.723 30.528 28.738 0.112 0.000 1.271 341 Q HN 0.123 nan 8.270 nan 0.000 0.450 342 G N 3.272 112.121 108.800 0.080 0.000 2.543 342 G HA2 0.570 4.530 3.960 -0.000 0.000 0.267 342 G HA3 0.570 4.530 3.960 -0.000 0.000 0.267 342 G C -2.520 172.336 174.900 -0.073 0.000 1.406 342 G CA -1.018 44.135 45.100 0.088 0.000 1.048 342 G HN 0.587 nan 8.290 nan 0.000 0.548 343 P HA 0.230 nan 4.420 nan 0.000 0.279 343 P C -0.886 176.232 177.300 -0.302 0.000 1.276 343 P CA -0.429 62.195 63.100 -0.794 0.000 0.801 343 P CB 1.006 31.949 31.700 -1.262 0.000 1.127 344 Q N -0.216 119.486 119.800 -0.164 0.000 2.312 344 Q HA 0.090 4.429 4.340 -0.000 0.000 0.236 344 Q C 1.320 177.214 176.000 -0.176 0.000 0.965 344 Q CA -0.474 55.280 55.803 -0.081 0.000 0.894 344 Q CB 0.517 29.286 28.738 0.052 0.000 1.225 344 Q HN 0.183 nan 8.270 nan 0.000 0.478 345 V N 0.737 120.487 119.914 -0.273 0.000 2.332 345 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 345 V C 0.374 176.194 176.094 -0.457 0.000 1.055 345 V CA 2.715 64.772 62.300 -0.405 0.000 1.038 345 V CB -0.045 31.328 31.823 -0.750 0.000 0.651 345 V HN 0.988 nan 8.190 nan 0.000 0.450 346 D N -3.368 116.656 120.400 -0.627 0.000 2.643 346 D HA 0.120 4.760 4.640 -0.000 0.000 0.283 346 D C 0.642 176.236 176.300 -1.178 0.000 1.242 346 D CA -0.109 53.388 54.000 -0.839 0.000 0.863 346 D CB 0.807 41.283 40.800 -0.540 0.000 1.382 346 D HN 0.021 nan 8.370 nan 0.000 0.444 347 E N -0.495 118.948 120.200 -1.261 0.000 2.110 347 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 347 E C 1.134 177.604 176.600 -0.217 0.000 0.988 347 E CA 1.899 57.877 56.400 -0.703 0.000 0.804 347 E CB -0.044 29.536 29.700 -0.201 0.000 0.745 347 E HN 0.547 nan 8.360 nan 0.000 0.458 348 T N 1.121 115.541 114.554 -0.224 0.000 2.652 348 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 348 T C 1.813 176.465 174.700 -0.080 0.000 1.039 348 T CA 1.313 63.341 62.100 -0.120 0.000 1.153 348 T CB -0.220 68.573 68.868 -0.125 0.000 0.863 348 T HN 0.152 nan 8.240 nan 0.000 0.428 349 Q N 0.102 119.827 119.800 -0.125 0.000 2.084 349 Q HA -0.009 4.330 4.340 -0.000 0.000 0.202 349 Q C 2.079 178.105 176.000 0.044 0.000 0.978 349 Q CA 1.114 56.901 55.803 -0.026 0.000 0.844 349 Q CB -0.782 27.910 28.738 -0.076 0.000 0.898 349 Q HN 0.556 nan 8.270 nan 0.000 0.426 350 F N 1.936 121.785 119.950 -0.168 0.000 2.091 350 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 350 F C 1.964 177.763 175.800 -0.002 0.000 1.103 350 F CA 1.720 59.679 58.000 -0.068 0.000 1.228 350 F CB -0.008 38.941 39.000 -0.086 0.000 0.984 350 F HN -0.011 nan 8.300 nan 0.000 0.477 351 K N -0.092 120.292 120.400 -0.026 0.000 2.103 351 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 351 K C 2.191 178.728 176.600 -0.105 0.000 1.052 351 K CA 1.170 57.389 56.287 -0.114 0.000 0.945 351 K CB -0.235 32.255 32.500 -0.017 0.000 0.722 351 K HN 0.233 nan 8.250 nan 0.000 0.443 352 K N 1.334 121.705 120.400 -0.048 0.000 2.097 352 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 352 K C 1.956 178.566 176.600 0.017 0.000 1.049 352 K CA 1.070 57.333 56.287 -0.041 0.000 0.933 352 K CB 0.011 32.536 32.500 0.040 0.000 0.717 352 K HN 0.052 nan 8.250 nan 0.000 0.442 353 I N 0.869 121.486 120.570 0.078 0.000 2.233 353 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 353 I C 2.091 178.250 176.117 0.069 0.000 1.093 353 I CA 0.942 62.337 61.300 0.158 0.000 1.380 353 I CB -0.216 37.847 38.000 0.105 0.000 1.067 353 I HN 0.134 nan 8.210 nan 0.000 0.413 354 L N 0.669 121.842 121.223 -0.084 0.000 2.129 354 L HA -0.183 4.156 4.340 -0.000 0.000 0.212 354 L C 2.621 179.461 176.870 -0.050 0.000 1.087 354 L CA 1.527 56.306 54.840 -0.101 0.000 0.757 354 L CB -1.102 40.819 42.059 -0.231 0.000 0.896 354 L HN 0.356 nan 8.230 nan 0.000 0.434 355 G N -1.247 107.496 108.800 -0.095 0.000 2.402 355 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.216 355 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.216 355 G C 1.368 176.195 174.900 -0.122 0.000 1.162 355 G CA 0.450 45.463 45.100 -0.144 0.000 0.777 355 G HN 0.293 nan 8.290 nan 0.000 0.539 356 Y N 0.533 120.830 120.300 -0.005 0.000 2.181 356 Y HA -0.051 4.499 4.550 -0.000 0.000 0.288 356 Y C 2.802 178.704 175.900 0.003 0.000 1.146 356 Y CA 0.772 58.868 58.100 -0.006 0.000 1.164 356 Y CB -0.084 38.382 38.460 0.010 0.000 0.982 356 Y HN 0.106 nan 8.280 nan 0.000 0.515 357 I N 0.102 120.809 120.570 0.229 0.000 2.163 357 I HA -0.379 3.791 4.170 -0.000 0.000 0.243 357 I C 2.485 178.733 176.117 0.219 0.000 1.085 357 I CA 1.601 63.078 61.300 0.296 0.000 1.347 357 I CB -0.523 37.626 38.000 0.248 0.000 1.044 357 I HN 0.392 nan 8.210 nan 0.000 0.408 358 N N 0.499 119.265 118.700 0.109 0.000 2.104 358 N HA -0.185 4.555 4.740 -0.000 0.000 0.190 358 N C 1.729 177.260 175.510 0.035 0.000 1.024 358 N CA 2.129 55.218 53.050 0.065 0.000 0.853 358 N CB 0.042 38.537 38.487 0.014 0.000 1.008 358 N HN 0.287 nan 8.380 nan 0.000 0.424 359 T N -0.227 114.331 114.554 0.008 0.000 2.746 359 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 359 T C 1.790 176.449 174.700 -0.069 0.000 1.039 359 T CA 1.306 63.395 62.100 -0.017 0.000 1.142 359 T CB -0.747 68.123 68.868 0.004 0.000 0.866 359 T HN 0.460 nan 8.240 nan 0.000 0.444 360 G N 1.570 110.273 108.800 -0.162 0.000 2.440 360 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.218 360 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.218 360 G C 1.629 176.370 174.900 -0.264 0.000 1.154 360 G CA 0.863 45.660 45.100 -0.506 0.000 0.767 360 G HN 0.428 nan 8.290 nan 0.000 0.552 361 K N -0.100 120.310 120.400 0.017 0.000 2.057 361 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 361 K C 2.789 179.421 176.600 0.053 0.000 1.050 361 K CA 1.175 57.544 56.287 0.135 0.000 0.935 361 K CB -0.096 32.509 32.500 0.175 0.000 0.715 361 K HN 0.146 nan 8.250 nan 0.000 0.439 362 Q N 0.953 120.764 119.800 0.019 0.000 2.135 362 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 362 Q C 1.562 177.561 176.000 -0.002 0.000 0.981 362 Q CA 1.489 57.297 55.803 0.008 0.000 0.856 362 Q CB -0.125 28.612 28.738 -0.002 0.000 0.902 362 Q HN 0.495 nan 8.270 nan 0.000 0.425 363 E N -0.597 119.588 120.200 -0.025 0.000 2.516 363 E HA 0.055 4.405 4.350 -0.000 0.000 0.199 363 E C 0.706 177.297 176.600 -0.014 0.000 1.069 363 E CA 0.396 56.779 56.400 -0.029 0.000 0.876 363 E CB 0.087 29.752 29.700 -0.058 0.000 0.843 363 E HN 0.524 nan 8.360 nan 0.000 0.530 364 G N 1.110 109.913 108.800 0.006 0.000 2.131 364 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.223 364 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.223 364 G C 0.246 175.175 174.900 0.048 0.000 0.990 364 G CA -0.026 45.092 45.100 0.030 0.000 0.671 364 G HN 0.440 nan 8.290 nan 0.000 0.521 365 A N 0.143 122.984 122.820 0.036 0.000 2.409 365 A HA 0.633 4.953 4.320 -0.000 0.000 0.262 365 A C 0.647 178.401 177.584 0.283 0.000 1.113 365 A CA 0.340 52.434 52.037 0.094 0.000 0.790 365 A CB 0.434 19.358 19.000 -0.127 0.000 1.046 365 A HN 0.555 nan 8.150 nan 0.000 0.496 366 K N 2.832 123.389 120.400 0.263 0.000 2.336 366 K HA 0.204 4.524 4.320 -0.000 0.000 0.290 366 K C -0.513 176.219 176.600 0.220 0.000 1.067 366 K CA -0.381 56.036 56.287 0.217 0.000 0.962 366 K CB -0.004 32.585 32.500 0.148 0.000 1.008 366 K HN 0.604 nan 8.250 nan 0.000 0.467 367 L N 6.207 127.510 121.223 0.133 0.000 2.433 367 L HA 0.069 4.409 4.340 -0.000 0.000 0.275 367 L C 0.204 177.003 176.870 -0.117 0.000 1.128 367 L CA 0.595 55.328 54.840 -0.180 0.000 0.875 367 L CB 0.481 42.455 42.059 -0.141 0.000 1.171 367 L HN 0.800 nan 8.230 nan 0.000 0.463 368 L N 4.863 125.989 121.223 -0.161 0.000 2.515 368 L HA 0.226 4.566 4.340 -0.000 0.000 0.223 368 L C 0.329 177.147 176.870 -0.087 0.000 1.079 368 L CA 0.231 55.023 54.840 -0.080 0.000 0.857 368 L CB 0.104 42.138 42.059 -0.043 0.000 1.050 368 L HN 0.852 nan 8.230 nan 0.000 0.476 369 C N -2.847 116.376 119.300 -0.129 0.000 3.275 369 C HA 0.697 5.157 4.460 -0.000 0.000 0.345 369 C C 0.638 175.565 174.990 -0.105 0.000 1.257 369 C CA -0.601 58.361 59.018 -0.094 0.000 1.203 369 C CB 0.774 28.473 27.740 -0.068 0.000 1.492 369 C HN 0.631 nan 8.230 nan 0.000 0.484 370 G N 1.081 109.843 108.800 -0.064 0.000 2.575 370 G HA2 0.383 4.343 3.960 -0.000 0.000 0.267 370 G HA3 0.383 4.343 3.960 -0.000 0.000 0.267 370 G C 1.181 176.045 174.900 -0.061 0.000 1.264 370 G CA 1.943 47.018 45.100 -0.041 0.000 0.935 370 G HN 3.364 nan 8.290 nan 0.000 0.568 371 G N -2.381 106.398 108.800 -0.034 0.000 2.183 371 G HA2 0.538 4.497 3.960 -0.000 0.000 0.168 371 G HA3 0.538 4.497 3.960 -0.000 0.000 0.168 371 G C 1.245 176.155 174.900 0.016 0.000 1.008 371 G CA 0.827 45.912 45.100 -0.025 0.000 0.677 371 G HN 2.671 nan 8.290 nan 0.000 0.498 372 G N -0.938 107.876 108.800 0.024 0.000 2.663 372 G HA2 0.631 4.591 3.960 -0.000 0.000 0.299 372 G HA3 0.631 4.591 3.960 -0.000 0.000 0.299 372 G C -0.300 174.635 174.900 0.059 0.000 1.372 372 G CA -0.697 44.419 45.100 0.028 0.000 0.781 372 G HN 0.647 nan 8.290 nan 0.000 0.491 373 I N 1.024 121.641 120.570 0.078 0.000 2.815 373 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 373 I C 1.492 177.702 176.117 0.155 0.000 1.209 373 I CA 0.470 61.874 61.300 0.174 0.000 1.431 373 I CB 1.392 39.523 38.000 0.217 0.000 1.351 373 I HN 0.581 nan 8.210 nan 0.000 0.585 374 A N 5.156 128.102 122.820 0.210 0.000 2.348 374 A HA 0.689 5.009 4.320 -0.000 0.000 0.224 374 A C 0.602 178.216 177.584 0.050 0.000 1.227 374 A CA 0.544 52.658 52.037 0.127 0.000 0.885 374 A CB 0.140 19.235 19.000 0.158 0.000 0.933 374 A HN 0.848 nan 8.150 nan 0.000 0.506 375 A N -0.636 122.241 122.820 0.094 0.000 2.594 375 A HA 0.511 4.831 4.320 -0.000 0.000 0.296 375 A C -0.980 176.639 177.584 0.058 0.000 1.056 375 A CA -0.355 51.682 52.037 -0.001 0.000 0.693 375 A CB 0.305 19.192 19.000 -0.187 0.000 1.278 375 A HN -0.010 nan 8.150 nan 0.000 0.408 376 D N 0.289 120.695 120.400 0.009 0.000 2.363 376 D HA 0.068 4.708 4.640 -0.000 0.000 0.226 376 D C 0.555 176.846 176.300 -0.014 0.000 1.020 376 D CA 0.888 54.897 54.000 0.016 0.000 0.892 376 D CB 0.251 41.051 40.800 -0.000 0.000 0.900 376 D HN 0.477 nan 8.370 nan 0.000 0.531 377 R N -0.070 120.414 120.500 -0.026 0.000 2.538 377 R HA 0.481 4.821 4.340 -0.000 0.000 0.292 377 R C -0.088 176.201 176.300 -0.018 0.000 1.008 377 R CA -0.118 55.944 56.100 -0.063 0.000 0.896 377 R CB 1.413 31.681 30.300 -0.053 0.000 1.187 377 R HN 0.087 nan 8.270 nan 0.000 0.440 378 G N 2.343 110.985 108.800 -0.263 0.000 2.631 378 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.504 378 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.504 378 G C -1.169 173.231 174.900 -0.834 0.000 1.306 378 G CA -0.474 44.343 45.100 -0.472 0.000 0.897 378 G HN 0.578 nan 8.290 nan 0.000 0.520 379 Y N 0.033 119.946 120.300 -0.644 0.000 2.696 379 Y HA 0.553 5.103 4.550 -0.000 0.000 0.378 379 Y C 0.493 176.149 175.900 -0.408 0.000 1.012 379 Y CA -0.714 56.801 58.100 -0.976 0.000 1.396 379 Y CB 0.094 38.086 38.460 -0.780 0.000 1.415 379 Y HN 0.343 nan 8.280 nan 0.000 0.569 380 F N 1.542 121.523 119.950 0.052 0.000 2.394 380 F HA 0.526 5.053 4.527 -0.000 0.000 0.340 380 F C 0.202 176.195 175.800 0.321 0.000 1.105 380 F CA -0.966 57.137 58.000 0.172 0.000 1.124 380 F CB 0.822 39.861 39.000 0.066 0.000 1.145 380 F HN -0.006 nan 8.300 nan 0.000 0.505 381 I N 2.381 123.193 120.570 0.404 0.000 2.545 381 I HA 0.245 4.415 4.170 -0.000 0.000 0.292 381 I C -0.663 175.579 176.117 0.208 0.000 1.040 381 I CA -1.045 60.422 61.300 0.279 0.000 1.068 381 I CB 2.093 40.213 38.000 0.201 0.000 1.251 381 I HN 0.542 nan 8.210 nan 0.000 0.424 382 Q N 5.697 125.587 119.800 0.150 0.000 2.364 382 Q HA 0.171 4.510 4.340 -0.000 0.000 0.267 382 Q C -2.328 173.745 176.000 0.120 0.000 0.999 382 Q CA -1.501 54.366 55.803 0.106 0.000 0.886 382 Q CB -0.046 28.728 28.738 0.059 0.000 1.243 382 Q HN 0.263 nan 8.270 nan 0.000 0.415 383 P HA -0.032 nan 4.420 nan 0.000 0.260 383 P C -1.102 176.299 177.300 0.169 0.000 1.207 383 P CA 0.520 63.729 63.100 0.182 0.000 0.780 383 P CB 0.485 32.101 31.700 -0.140 0.000 0.789 384 T N 2.873 117.573 114.554 0.243 0.000 2.859 384 T HA 0.496 4.846 4.350 -0.000 0.000 0.281 384 T C -0.226 174.515 174.700 0.067 0.000 1.005 384 T CA -0.447 61.684 62.100 0.051 0.000 1.025 384 T CB 1.057 69.913 68.868 -0.021 0.000 0.977 384 T HN -0.057 nan 8.240 nan 0.000 0.458 385 V N 3.342 123.191 119.914 -0.108 0.000 2.525 385 V HA 0.480 4.599 4.120 -0.000 0.000 0.299 385 V C -1.135 174.836 176.094 -0.204 0.000 1.034 385 V CA -0.901 61.371 62.300 -0.048 0.000 0.863 385 V CB 1.236 33.081 31.823 0.036 0.000 0.999 385 V HN 0.832 nan 8.190 nan 0.000 0.423 386 F N 2.495 122.474 119.950 0.048 0.000 2.436 386 F HA 0.781 5.308 4.527 -0.000 0.000 0.340 386 F C 0.939 176.774 175.800 0.059 0.000 1.113 386 F CA -0.228 57.799 58.000 0.045 0.000 1.022 386 F CB 2.084 41.101 39.000 0.028 0.000 1.128 386 F HN 0.594 nan 8.300 nan 0.000 0.466 387 G N 0.723 109.685 108.800 0.269 0.000 2.537 387 G HA2 0.356 4.316 3.960 -0.000 0.000 0.323 387 G HA3 0.356 4.316 3.960 -0.000 0.000 0.323 387 G C -0.597 174.445 174.900 0.237 0.000 1.207 387 G CA -0.688 44.562 45.100 0.250 0.000 0.976 387 G HN 0.710 nan 8.290 nan 0.000 0.487 388 D N -1.083 119.472 120.400 0.259 0.000 2.708 388 D HA -0.164 4.476 4.640 -0.000 0.000 0.236 388 D C 0.546 176.891 176.300 0.076 0.000 1.146 388 D CA 0.644 54.715 54.000 0.118 0.000 0.662 388 D CB -1.099 39.752 40.800 0.084 0.000 1.059 388 D HN 0.184 nan 8.370 nan 0.000 0.428 389 V N 0.832 120.790 119.914 0.074 0.000 2.686 389 V HA 0.049 4.169 4.120 -0.000 0.000 0.295 389 V C 0.864 176.952 176.094 -0.009 0.000 1.055 389 V CA 0.078 62.386 62.300 0.015 0.000 1.050 389 V CB 1.745 33.560 31.823 -0.014 0.000 0.984 389 V HN 0.056 nan 8.190 nan 0.000 0.482 390 Q N 1.940 121.734 119.800 -0.011 0.000 2.257 390 Q HA 0.325 4.665 4.340 -0.000 0.000 0.262 390 Q C 0.460 176.466 176.000 0.009 0.000 0.997 390 Q CA -0.731 55.076 55.803 0.007 0.000 0.873 390 Q CB 1.469 30.214 28.738 0.012 0.000 1.312 390 Q HN 0.658 nan 8.270 nan 0.000 0.450 391 D N 1.272 121.700 120.400 0.046 0.000 2.182 391 D HA -0.125 4.514 4.640 -0.000 0.000 0.201 391 D C 1.508 177.834 176.300 0.044 0.000 0.986 391 D CA 1.637 55.678 54.000 0.067 0.000 0.847 391 D CB -0.048 40.819 40.800 0.111 0.000 0.942 391 D HN 0.823 nan 8.370 nan 0.000 0.467 392 G N -0.124 108.695 108.800 0.031 0.000 2.572 392 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.216 392 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.216 392 G C 0.793 175.699 174.900 0.010 0.000 1.133 392 G CA -0.128 44.985 45.100 0.022 0.000 0.791 392 G HN 0.176 nan 8.290 nan 0.000 0.538 393 M N 0.699 120.297 119.600 -0.003 0.000 2.248 393 M HA 0.120 4.599 4.480 -0.000 0.000 0.337 393 M C 1.834 178.126 176.300 -0.015 0.000 1.121 393 M CA -0.056 55.231 55.300 -0.022 0.000 1.155 393 M CB 0.823 33.391 32.600 -0.054 0.000 1.514 393 M HN -0.076 nan 8.290 nan 0.000 0.452 394 T N 2.452 117.002 114.554 -0.007 0.000 2.684 394 T HA -0.124 4.225 4.350 -0.000 0.000 0.267 394 T C 1.537 176.241 174.700 0.007 0.000 1.036 394 T CA 1.751 63.869 62.100 0.030 0.000 1.148 394 T CB -0.447 68.464 68.868 0.071 0.000 0.863 394 T HN 0.763 nan 8.240 nan 0.000 0.436 395 I N -0.293 120.244 120.570 -0.055 0.000 3.083 395 I HA 0.157 4.326 4.170 -0.000 0.000 0.273 395 I C 2.006 178.057 176.117 -0.109 0.000 1.297 395 I CA 0.840 62.065 61.300 -0.125 0.000 1.452 395 I CB -0.400 37.459 38.000 -0.234 0.000 1.078 395 I HN 0.078 nan 8.210 nan 0.000 0.484 396 A N 0.689 123.470 122.820 -0.065 0.000 2.430 396 A HA 0.298 4.618 4.320 -0.000 0.000 0.243 396 A C 1.821 179.414 177.584 0.015 0.000 1.254 396 A CA -0.206 51.807 52.037 -0.040 0.000 0.914 396 A CB -0.016 18.959 19.000 -0.041 0.000 0.998 396 A HN 0.438 nan 8.150 nan 0.000 0.515 397 K N -0.578 119.836 120.400 0.024 0.000 2.556 397 K HA 0.156 4.476 4.320 -0.000 0.000 0.201 397 K C -0.299 176.370 176.600 0.116 0.000 1.423 397 K CA 0.145 56.478 56.287 0.077 0.000 1.010 397 K CB 0.858 33.395 32.500 0.063 0.000 1.409 397 K HN 0.366 nan 8.250 nan 0.000 0.538 398 E N 2.360 122.590 120.200 0.050 0.000 2.197 398 E HA 0.084 4.434 4.350 -0.000 0.000 0.281 398 E C -1.002 175.524 176.600 -0.125 0.000 0.995 398 E CA -0.292 56.136 56.400 0.045 0.000 0.808 398 E CB 1.697 31.456 29.700 0.098 0.000 1.093 398 E HN 0.074 nan 8.360 nan 0.000 0.394 399 E N 3.963 124.142 120.200 -0.036 0.000 2.383 399 E HA -0.061 4.289 4.350 -0.000 0.000 0.257 399 E C 0.371 176.853 176.600 -0.197 0.000 1.079 399 E CA 0.021 56.361 56.400 -0.099 0.000 0.934 399 E CB 0.380 30.031 29.700 -0.081 0.000 0.978 399 E HN 0.580 nan 8.360 nan 0.000 0.462 400 I N 4.458 124.862 120.570 -0.277 0.000 2.480 400 I HA -0.111 4.059 4.170 -0.000 0.000 0.251 400 I C 0.561 176.741 176.117 0.106 0.000 1.124 400 I CA 0.168 61.252 61.300 -0.359 0.000 1.444 400 I CB 0.025 37.815 38.000 -0.350 0.000 1.098 400 I HN 0.693 nan 8.210 nan 0.000 0.428 401 F N 1.449 121.343 119.950 -0.093 0.000 3.080 401 F HA -0.185 4.342 4.527 -0.000 0.000 0.292 401 F C 0.452 176.264 175.800 0.019 0.000 0.891 401 F CA 0.644 58.638 58.000 -0.010 0.000 1.086 401 F CB -1.359 37.685 39.000 0.074 0.000 1.095 401 F HN 0.169 nan 8.300 nan 0.000 0.633 402 G N -0.767 108.024 108.800 -0.016 0.000 2.749 402 G HA2 0.638 4.598 3.960 -0.000 0.000 0.300 402 G HA3 0.638 4.598 3.960 -0.000 0.000 0.300 402 G C -2.944 171.887 174.900 -0.115 0.000 1.352 402 G CA -0.547 44.540 45.100 -0.022 0.000 0.789 402 G HN -0.159 nan 8.290 nan 0.000 0.509 403 P HA 0.282 nan 4.420 nan 0.000 0.225 403 P C -0.628 176.614 177.300 -0.096 0.000 1.768 403 P CA -0.039 63.022 63.100 -0.065 0.000 0.943 403 P CB 0.177 32.003 31.700 0.211 0.000 1.936 404 V N 2.478 122.264 119.914 -0.213 0.000 2.409 404 V HA 0.359 4.479 4.120 -0.000 0.000 0.290 404 V C 0.262 176.248 176.094 -0.181 0.000 1.017 404 V CA -0.652 61.601 62.300 -0.079 0.000 0.841 404 V CB 2.083 33.954 31.823 0.080 0.000 1.003 404 V HN 0.272 nan 8.190 nan 0.000 0.426 405 M N 4.102 123.616 119.600 -0.144 0.000 2.264 405 M HA 0.593 5.073 4.480 -0.000 0.000 0.352 405 M C -0.932 175.404 176.300 0.061 0.000 1.173 405 M CA -0.399 54.827 55.300 -0.124 0.000 1.075 405 M CB 1.558 34.103 32.600 -0.092 0.000 1.621 405 M HN 0.639 nan 8.290 nan 0.000 0.457 406 Q N 4.921 124.730 119.800 0.014 0.000 2.333 406 Q HA 0.584 4.924 4.340 -0.000 0.000 0.265 406 Q C -1.278 174.728 176.000 0.009 0.000 0.989 406 Q CA 0.004 55.833 55.803 0.044 0.000 0.842 406 Q CB 1.972 30.690 28.738 -0.034 0.000 1.262 406 Q HN 0.701 nan 8.270 nan 0.000 0.451 407 I N 4.089 124.702 120.570 0.071 0.000 2.355 407 I HA 0.365 4.534 4.170 -0.000 0.000 0.288 407 I C -1.039 175.149 176.117 0.119 0.000 0.999 407 I CA -0.887 60.465 61.300 0.086 0.000 1.163 407 I CB 0.852 38.932 38.000 0.134 0.000 1.316 407 I HN 0.329 nan 8.210 nan 0.000 0.454 408 L N 6.628 127.847 121.223 -0.007 0.000 2.334 408 L HA 0.519 4.859 4.340 -0.000 0.000 0.273 408 L C -0.058 176.945 176.870 0.222 0.000 1.013 408 L CA -0.475 54.358 54.840 -0.012 0.000 0.816 408 L CB 1.318 43.132 42.059 -0.408 0.000 1.278 408 L HN 0.452 nan 8.230 nan 0.000 0.431 409 K N 2.339 122.840 120.400 0.168 0.000 2.159 409 K HA 0.699 5.019 4.320 -0.000 0.000 0.266 409 K C -1.369 175.384 176.600 0.254 0.000 0.975 409 K CA -0.433 55.919 56.287 0.108 0.000 0.865 409 K CB 1.102 33.370 32.500 -0.387 0.000 1.087 409 K HN 0.542 nan 8.250 nan 0.000 0.446 410 F N 1.189 121.216 119.950 0.129 0.000 2.643 410 F HA 0.467 4.994 4.527 -0.000 0.000 0.314 410 F C 0.110 175.953 175.800 0.071 0.000 1.096 410 F CA -0.968 57.106 58.000 0.122 0.000 0.953 410 F CB 1.588 40.701 39.000 0.188 0.000 1.345 410 F HN 0.531 nan 8.300 nan 0.000 0.468 411 K N 0.099 120.576 120.400 0.128 0.000 2.274 411 K HA 0.225 4.544 4.320 -0.000 0.000 0.219 411 K C 0.390 177.065 176.600 0.125 0.000 1.058 411 K CA 0.868 57.157 56.287 0.003 0.000 0.920 411 K CB 0.095 32.614 32.500 0.031 0.000 1.124 411 K HN 0.904 nan 8.250 nan 0.000 0.464 412 T N -1.394 113.293 114.554 0.222 0.000 2.874 412 T HA 0.197 4.547 4.350 -0.000 0.000 0.281 412 T C 1.271 176.138 174.700 0.278 0.000 0.994 412 T CA -0.668 61.548 62.100 0.194 0.000 1.015 412 T CB 1.216 70.146 68.868 0.104 0.000 1.028 412 T HN 0.280 nan 8.240 nan 0.000 0.523 413 I N 0.150 120.823 120.570 0.172 0.000 2.617 413 I HA -0.026 4.144 4.170 -0.000 0.000 0.256 413 I C 2.120 178.297 176.117 0.100 0.000 1.167 413 I CA 1.119 62.500 61.300 0.134 0.000 1.469 413 I CB -0.054 37.982 38.000 0.060 0.000 1.098 413 I HN 0.737 nan 8.210 nan 0.000 0.436 414 E N 0.715 120.965 120.200 0.084 0.000 2.106 414 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 414 E C 1.918 178.545 176.600 0.045 0.000 0.984 414 E CA 1.301 57.757 56.400 0.094 0.000 0.806 414 E CB -0.159 29.580 29.700 0.066 0.000 0.750 414 E HN 0.527 nan 8.360 nan 0.000 0.458 415 E N 0.389 120.616 120.200 0.045 0.000 2.031 415 E HA -0.175 4.174 4.350 -0.000 0.000 0.193 415 E C 2.080 178.619 176.600 -0.102 0.000 0.994 415 E CA 1.217 57.631 56.400 0.024 0.000 0.800 415 E CB -0.094 29.674 29.700 0.113 0.000 0.752 415 E HN 0.155 nan 8.360 nan 0.000 0.447 416 V N 0.467 120.235 119.914 -0.243 0.000 2.594 416 V HA -0.179 3.941 4.120 -0.000 0.000 0.253 416 V C 2.232 178.015 176.094 -0.518 0.000 1.069 416 V CA 1.282 63.191 62.300 -0.652 0.000 1.082 416 V CB 0.073 31.092 31.823 -1.341 0.000 0.680 416 V HN 0.236 nan 8.190 nan 0.000 0.469 417 V N 0.505 120.260 119.914 -0.265 0.000 2.307 417 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 417 V C 2.665 178.654 176.094 -0.175 0.000 1.045 417 V CA 2.132 64.316 62.300 -0.193 0.000 1.024 417 V CB -1.341 30.432 31.823 -0.084 0.000 0.651 417 V HN 0.615 nan 8.190 nan 0.000 0.449 418 G N -0.088 108.638 108.800 -0.123 0.000 2.421 418 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 418 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 418 G C 1.733 176.575 174.900 -0.097 0.000 1.171 418 G CA 0.749 45.799 45.100 -0.083 0.000 0.775 418 G HN 0.457 nan 8.290 nan 0.000 0.543 419 R N 0.497 120.907 120.500 -0.151 0.000 2.115 419 R HA 0.135 4.475 4.340 -0.000 0.000 0.230 419 R C 2.968 179.168 176.300 -0.167 0.000 1.111 419 R CA 0.978 57.009 56.100 -0.115 0.000 0.976 419 R CB -0.298 29.946 30.300 -0.093 0.000 0.870 419 R HN 0.350 nan 8.270 nan 0.000 0.445 420 A N 1.616 124.202 122.820 -0.391 0.000 1.898 420 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 420 A C 1.636 179.169 177.584 -0.085 0.000 1.181 420 A CA 1.270 53.131 52.037 -0.292 0.000 0.620 420 A CB -0.284 18.484 19.000 -0.387 0.000 0.819 420 A HN 0.203 nan 8.150 nan 0.000 0.442 421 N N 0.452 119.094 118.700 -0.096 0.000 2.494 421 N HA -0.062 4.677 4.740 -0.000 0.000 0.182 421 N C 0.271 175.777 175.510 -0.007 0.000 1.076 421 N CA 0.332 53.355 53.050 -0.044 0.000 0.908 421 N CB -0.414 38.037 38.487 -0.059 0.000 0.967 421 N HN 0.358 nan 8.380 nan 0.000 0.449 422 N N 0.993 119.693 118.700 0.001 0.000 3.050 422 N HA 0.031 4.771 4.740 -0.000 0.000 0.289 422 N C -1.300 174.240 175.510 0.051 0.000 1.209 422 N CA 0.131 53.194 53.050 0.023 0.000 1.154 422 N CB -0.253 38.251 38.487 0.028 0.000 1.444 422 N HN -0.089 nan 8.380 nan 0.000 0.529 423 S N -0.287 115.441 115.700 0.047 0.000 2.537 423 S HA 0.293 4.763 4.470 -0.000 0.000 0.271 423 S C 0.787 175.397 174.600 0.016 0.000 1.148 423 S CA -0.562 57.677 58.200 0.065 0.000 0.868 423 S CB 0.742 64.029 63.200 0.145 0.000 1.115 423 S HN 0.263 nan 8.310 nan 0.000 0.461 424 T N 2.567 117.075 114.554 -0.076 0.000 3.035 424 T HA 0.136 4.485 4.350 -0.000 0.000 0.268 424 T C 0.063 174.661 174.700 -0.170 0.000 1.109 424 T CA 1.215 63.206 62.100 -0.181 0.000 1.119 424 T CB -0.338 68.337 68.868 -0.322 0.000 0.900 424 T HN 0.559 nan 8.240 nan 0.000 0.503 425 Y N -0.156 120.167 120.300 0.039 0.000 2.392 425 Y HA 0.564 5.114 4.550 -0.000 0.000 0.323 425 Y C 1.247 177.173 175.900 0.042 0.000 1.291 425 Y CA -0.916 57.211 58.100 0.045 0.000 1.345 425 Y CB 1.371 39.864 38.460 0.056 0.000 1.320 425 Y HN -0.022 nan 8.280 nan 0.000 0.518 426 G N 0.825 109.765 108.800 0.232 0.000 5.312 426 G HA2 0.093 4.053 3.960 -0.000 0.000 0.204 426 G HA3 0.093 4.053 3.960 -0.000 0.000 0.204 426 G C -0.240 174.677 174.900 0.029 0.000 1.097 426 G CA -0.287 44.872 45.100 0.097 0.000 0.621 426 G HN 0.533 nan 8.290 nan 0.000 0.290 427 L N 0.630 121.887 121.223 0.057 0.000 2.049 427 L HA 0.753 5.092 4.340 -0.000 0.000 0.203 427 L C 1.175 178.040 176.870 -0.008 0.000 1.074 427 L CA 2.356 57.207 54.840 0.017 0.000 0.749 427 L CB -0.072 42.028 42.059 0.069 0.000 0.907 427 L HN 0.495 nan 8.230 nan 0.000 0.439 428 A N -2.112 120.731 122.820 0.037 0.000 2.583 428 A HA 0.911 5.230 4.320 -0.000 0.000 0.289 428 A C -1.401 176.201 177.584 0.030 0.000 1.151 428 A CA -0.100 51.916 52.037 -0.036 0.000 0.695 428 A CB 0.992 20.037 19.000 0.074 0.000 1.290 428 A HN 0.569 nan 8.150 nan 0.000 0.419 429 A N -1.361 121.463 122.820 0.007 0.000 2.586 429 A HA 0.972 5.292 4.320 -0.000 0.000 0.291 429 A C -0.718 176.989 177.584 0.205 0.000 1.062 429 A CA 0.128 52.244 52.037 0.132 0.000 0.666 429 A CB 0.451 19.462 19.000 0.019 0.000 1.281 429 A HN 2.681 nan 8.150 nan 0.000 0.421 430 A N -0.373 122.647 122.820 0.332 0.000 2.587 430 A HA 0.829 5.149 4.320 -0.000 0.000 0.293 430 A C -1.542 176.255 177.584 0.355 0.000 1.087 430 A CA -0.489 51.794 52.037 0.409 0.000 0.692 430 A CB 1.593 21.033 19.000 0.734 0.000 1.291 430 A HN 1.843 nan 8.150 nan 0.000 0.407 431 V N 0.854 120.942 119.914 0.289 0.000 2.623 431 V HA 0.529 4.649 4.120 -0.000 0.000 0.304 431 V C -1.670 174.521 176.094 0.161 0.000 1.054 431 V CA -0.243 62.208 62.300 0.252 0.000 0.882 431 V CB 1.520 33.418 31.823 0.125 0.000 1.002 431 V HN 0.706 nan 8.190 nan 0.000 0.424 432 F N 2.863 122.910 119.950 0.162 0.000 2.347 432 F HA 0.770 5.297 4.527 -0.000 0.000 0.366 432 F C 0.382 176.277 175.800 0.158 0.000 1.107 432 F CA -0.214 57.891 58.000 0.175 0.000 1.058 432 F CB 1.935 41.038 39.000 0.172 0.000 1.236 432 F HN 0.510 nan 8.300 nan 0.000 0.456 433 T N 1.992 116.660 114.554 0.191 0.000 2.830 433 T HA 0.291 4.640 4.350 -0.000 0.000 0.322 433 T C 0.212 174.978 174.700 0.110 0.000 1.501 433 T CA -0.638 61.558 62.100 0.160 0.000 1.036 433 T CB 1.532 70.482 68.868 0.136 0.000 1.379 433 T HN 0.624 nan 8.240 nan 0.000 0.493 434 K N 0.631 121.089 120.400 0.098 0.000 2.361 434 K HA 0.182 4.502 4.320 -0.000 0.000 0.194 434 K C -0.139 176.491 176.600 0.050 0.000 1.032 434 K CA -0.044 56.284 56.287 0.068 0.000 1.048 434 K CB 0.263 32.802 32.500 0.066 0.000 0.842 434 K HN 0.521 nan 8.250 nan 0.000 0.526 435 D N 0.819 121.252 120.400 0.056 0.000 2.312 435 D HA 0.008 4.647 4.640 -0.000 0.000 0.252 435 D C 0.866 177.191 176.300 0.043 0.000 1.150 435 D CA -0.241 53.786 54.000 0.045 0.000 0.870 435 D CB 1.057 41.884 40.800 0.045 0.000 1.153 435 D HN -0.156 nan 8.370 nan 0.000 0.457 436 L N 4.059 125.302 121.223 0.033 0.000 1.994 436 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 436 L C 1.314 178.210 176.870 0.042 0.000 1.071 436 L CA 1.901 56.760 54.840 0.032 0.000 0.745 436 L CB -0.453 41.620 42.059 0.024 0.000 0.892 436 L HN 0.511 nan 8.230 nan 0.000 0.431 437 D N -0.170 120.253 120.400 0.040 0.000 2.104 437 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 437 D C 2.196 178.545 176.300 0.081 0.000 0.994 437 D CA 1.501 55.530 54.000 0.050 0.000 0.830 437 D CB -0.092 40.721 40.800 0.022 0.000 0.959 437 D HN 0.389 nan 8.370 nan 0.000 0.452 438 K N 0.476 120.916 120.400 0.067 0.000 2.057 438 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 438 K C 2.133 178.817 176.600 0.141 0.000 1.049 438 K CA 1.169 57.517 56.287 0.101 0.000 0.931 438 K CB -0.099 32.450 32.500 0.081 0.000 0.714 438 K HN 0.038 nan 8.250 nan 0.000 0.440 439 A N 1.957 124.833 122.820 0.094 0.000 1.902 439 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 439 A C 1.823 179.445 177.584 0.064 0.000 1.181 439 A CA 1.645 53.724 52.037 0.071 0.000 0.623 439 A CB -0.430 18.596 19.000 0.043 0.000 0.818 439 A HN 0.225 nan 8.150 nan 0.000 0.443 440 N N -1.556 117.188 118.700 0.072 0.000 2.171 440 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 440 N C 1.613 177.168 175.510 0.075 0.000 1.021 440 N CA 1.551 54.635 53.050 0.056 0.000 0.854 440 N CB -0.624 37.895 38.487 0.054 0.000 0.994 440 N HN 0.650 nan 8.380 nan 0.000 0.426 441 Y N 1.962 122.259 120.300 -0.004 0.000 2.070 441 Y HA -0.153 4.396 4.550 -0.000 0.000 0.280 441 Y C 2.245 178.134 175.900 -0.018 0.000 1.148 441 Y CA 1.575 59.671 58.100 -0.007 0.000 1.125 441 Y CB -0.572 37.888 38.460 -0.001 0.000 0.975 441 Y HN -0.055 nan 8.280 nan 0.000 0.492 442 L N -0.141 121.127 121.223 0.075 0.000 2.046 442 L HA -0.230 4.109 4.340 -0.000 0.000 0.208 442 L C 2.760 179.566 176.870 -0.106 0.000 1.077 442 L CA 1.680 56.490 54.840 -0.049 0.000 0.747 442 L CB -0.923 41.175 42.059 0.065 0.000 0.896 442 L HN 0.397 nan 8.230 nan 0.000 0.432 443 S N -0.992 114.671 115.700 -0.061 0.000 2.419 443 S HA -0.293 4.176 4.470 -0.000 0.000 0.235 443 S C 1.894 176.423 174.600 -0.117 0.000 1.019 443 S CA 1.446 59.594 58.200 -0.085 0.000 0.982 443 S CB -0.350 62.814 63.200 -0.060 0.000 0.789 443 S HN 0.541 nan 8.310 nan 0.000 0.490 444 Q N 0.693 120.415 119.800 -0.130 0.000 2.204 444 Q HA 0.213 4.553 4.340 -0.000 0.000 0.198 444 Q C 2.212 178.106 176.000 -0.178 0.000 0.946 444 Q CA 0.807 56.530 55.803 -0.134 0.000 0.859 444 Q CB -0.335 28.333 28.738 -0.116 0.000 0.946 444 Q HN 0.691 nan 8.270 nan 0.000 0.474 445 A N 0.758 123.412 122.820 -0.277 0.000 1.930 445 A HA 0.089 4.409 4.320 -0.000 0.000 0.215 445 A C 0.954 178.418 177.584 -0.199 0.000 1.176 445 A CA 0.138 52.000 52.037 -0.293 0.000 0.632 445 A CB -0.336 18.363 19.000 -0.502 0.000 0.819 445 A HN 0.349 nan 8.150 nan 0.000 0.445 446 L N 1.216 122.326 121.223 -0.189 0.000 2.477 446 L HA 0.030 4.370 4.340 -0.000 0.000 0.272 446 L C 0.040 176.796 176.870 -0.190 0.000 1.157 446 L CA -0.095 54.644 54.840 -0.168 0.000 0.889 446 L CB 0.353 42.320 42.059 -0.153 0.000 1.158 446 L HN 0.414 nan 8.230 nan 0.000 0.473 447 Q N 3.910 123.615 119.800 -0.158 0.000 2.844 447 Q HA 0.480 4.820 4.340 -0.000 0.000 0.235 447 Q C -0.296 175.471 176.000 -0.389 0.000 1.336 447 Q CA -0.274 55.424 55.803 -0.175 0.000 1.026 447 Q CB 0.673 29.420 28.738 0.016 0.000 1.513 447 Q HN 0.699 nan 8.270 nan 0.000 0.577 448 A N -0.053 122.346 122.820 -0.701 0.000 2.475 448 A HA 0.675 4.995 4.320 -0.000 0.000 0.301 448 A C 0.898 177.906 177.584 -0.960 0.000 1.059 448 A CA -0.445 51.188 52.037 -0.674 0.000 0.710 448 A CB 1.289 20.085 19.000 -0.339 0.000 1.288 448 A HN 0.558 nan 8.150 nan 0.000 0.408 449 G N 0.121 108.538 108.800 -0.638 0.000 2.432 449 G HA2 0.265 4.224 3.960 -0.000 0.000 0.219 449 G HA3 0.265 4.224 3.960 -0.000 0.000 0.219 449 G C 0.503 175.222 174.900 -0.301 0.000 1.135 449 G CA 1.684 46.578 45.100 -0.343 0.000 0.767 449 G HN 0.844 nan 8.290 nan 0.000 0.550 450 T N -0.366 113.965 114.554 -0.370 0.000 2.928 450 T HA 0.514 4.864 4.350 -0.000 0.000 0.296 450 T C -1.173 173.124 174.700 -0.671 0.000 1.000 450 T CA -0.421 61.350 62.100 -0.548 0.000 0.989 450 T CB 2.751 71.183 68.868 -0.728 0.000 1.005 450 T HN -0.083 nan 8.240 nan 0.000 0.442 451 V N 3.689 123.252 119.914 -0.586 0.000 2.444 451 V HA 0.493 4.613 4.120 -0.000 0.000 0.294 451 V C -0.774 175.110 176.094 -0.350 0.000 1.022 451 V CA -0.953 61.114 62.300 -0.389 0.000 0.850 451 V CB 1.533 33.221 31.823 -0.224 0.000 0.992 451 V HN 0.771 nan 8.190 nan 0.000 0.426 452 W N 3.478 124.672 121.300 -0.177 0.000 2.496 452 W HA 0.667 5.327 4.660 -0.000 0.000 0.327 452 W C -0.709 175.726 176.519 -0.141 0.000 1.086 452 W CA -0.676 56.561 57.345 -0.180 0.000 1.222 452 W CB 2.033 31.343 29.460 -0.249 0.000 1.304 452 W HN 0.271 nan 8.180 nan 0.000 0.547 453 V N 4.151 124.110 119.914 0.075 0.000 2.384 453 V HA 0.138 4.258 4.120 -0.000 0.000 0.287 453 V C 0.258 176.228 176.094 -0.208 0.000 1.020 453 V CA -0.917 61.341 62.300 -0.070 0.000 0.850 453 V CB 1.115 32.918 31.823 -0.033 0.000 0.987 453 V HN 0.674 nan 8.190 nan 0.000 0.436 454 N N 1.902 120.234 118.700 -0.613 0.000 2.725 454 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 454 N C -0.248 175.061 175.510 -0.335 0.000 1.103 454 N CA 1.314 53.893 53.050 -0.785 0.000 0.707 454 N CB -1.036 37.373 38.487 -0.130 0.000 1.043 454 N HN 1.111 nan 8.380 nan 0.000 0.553 455 C N -4.208 114.855 119.300 -0.394 0.000 3.249 455 C HA 0.809 5.269 4.460 -0.000 0.000 0.350 455 C C -1.173 173.836 174.990 0.032 0.000 1.431 455 C CA -1.303 57.731 59.018 0.026 0.000 1.209 455 C CB 1.743 29.506 27.740 0.038 0.000 1.546 455 C HN 0.290 nan 8.230 nan 0.000 0.450 456 Y N -0.162 119.882 120.300 -0.426 0.000 2.604 456 Y HA 0.453 5.003 4.550 -0.000 0.000 0.331 456 Y C -0.407 174.786 175.900 -1.179 0.000 1.158 456 Y CA 0.447 57.991 58.100 -0.927 0.000 1.056 456 Y CB 1.291 39.567 38.460 -0.306 0.000 1.330 456 Y HN 1.038 nan 8.280 nan 0.000 0.457 457 D N 1.830 120.985 120.400 -2.074 0.000 2.837 457 D HA -0.137 4.503 4.640 -0.000 0.000 0.230 457 D C -0.972 174.849 176.300 -0.798 0.000 1.152 457 D CA 1.017 54.368 54.000 -1.082 0.000 0.736 457 D CB -0.988 39.714 40.800 -0.163 0.000 1.084 457 D HN 0.161 nan 8.370 nan 0.000 0.429 458 V N 1.451 120.805 119.914 -0.933 0.000 2.304 458 V HA 0.297 4.417 4.120 -0.000 0.000 0.262 458 V C 0.390 176.390 176.094 -0.156 0.000 1.061 458 V CA -0.261 61.863 62.300 -0.294 0.000 0.872 458 V CB -0.137 31.608 31.823 -0.130 0.000 1.077 458 V HN -0.001 nan 8.190 nan 0.000 0.480 459 F N 2.469 122.480 119.950 0.102 0.000 2.436 459 F HA 0.751 5.278 4.527 -0.000 0.000 0.340 459 F C 0.891 176.706 175.800 0.025 0.000 1.113 459 F CA -0.510 57.523 58.000 0.056 0.000 1.022 459 F CB 1.879 40.898 39.000 0.030 0.000 1.128 459 F HN 0.478 nan 8.300 nan 0.000 0.466 460 G N 0.578 109.469 108.800 0.152 0.000 2.420 460 G HA2 0.511 4.470 3.960 -0.000 0.000 0.331 460 G HA3 0.511 4.470 3.960 -0.000 0.000 0.331 460 G C 0.407 175.271 174.900 -0.060 0.000 1.168 460 G CA -0.512 44.609 45.100 0.036 0.000 0.936 460 G HN 0.867 nan 8.290 nan 0.000 0.479 461 A N 0.998 123.732 122.820 -0.144 0.000 2.076 461 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 461 A C 2.136 179.211 177.584 -0.850 0.000 1.160 461 A CA 1.868 53.709 52.037 -0.326 0.000 0.653 461 A CB -0.126 18.721 19.000 -0.254 0.000 0.801 461 A HN 0.642 nan 8.150 nan 0.000 0.455 462 Q N -0.580 118.764 119.800 -0.759 0.000 2.408 462 Q HA 0.163 4.503 4.340 -0.000 0.000 0.205 462 Q C 0.003 175.913 176.000 -0.151 0.000 0.919 462 Q CA 0.419 55.835 55.803 -0.645 0.000 0.932 462 Q CB -0.308 28.258 28.738 -0.288 0.000 1.058 462 Q HN 0.366 nan 8.270 nan 0.000 0.517 463 S N 4.351 119.988 115.700 -0.106 0.000 2.475 463 S HA 0.395 4.865 4.470 -0.000 0.000 0.281 463 S C -2.347 172.259 174.600 0.009 0.000 1.198 463 S CA -1.101 57.097 58.200 -0.004 0.000 1.063 463 S CB 1.307 64.507 63.200 0.002 0.000 0.972 463 S HN 0.197 nan 8.310 nan 0.000 0.486 464 P HA 0.182 nan 4.420 nan 0.000 0.272 464 P C -0.960 176.385 177.300 0.074 0.000 1.223 464 P CA -0.278 62.845 63.100 0.039 0.000 0.784 464 P CB 0.363 32.041 31.700 -0.037 0.000 0.923 465 F N 2.173 122.027 119.950 -0.161 0.000 2.646 465 F HA 0.618 5.144 4.527 -0.000 0.000 0.364 465 F C -0.307 175.427 175.800 -0.109 0.000 1.137 465 F CA -0.535 57.386 58.000 -0.132 0.000 1.085 465 F CB 0.972 39.844 39.000 -0.214 0.000 1.331 465 F HN 0.436 nan 8.300 nan 0.000 0.472 466 G N 1.624 110.273 108.800 -0.253 0.000 2.798 466 G HA2 0.680 4.640 3.960 -0.000 0.000 0.286 466 G HA3 0.680 4.640 3.960 -0.000 0.000 0.286 466 G C -1.185 173.570 174.900 -0.241 0.000 1.389 466 G CA -0.676 44.251 45.100 -0.289 0.000 0.894 466 G HN 0.891 nan 8.290 nan 0.000 0.488 467 G N -1.673 107.055 108.800 -0.121 0.000 2.574 467 G HA2 0.581 4.541 3.960 -0.000 0.000 0.299 467 G HA3 0.581 4.541 3.960 -0.000 0.000 0.299 467 G C -1.739 173.287 174.900 0.210 0.000 1.298 467 G CA -0.517 44.593 45.100 0.015 0.000 0.952 467 G HN 0.341 nan 8.290 nan 0.000 0.477 468 Y N 0.478 120.738 120.300 -0.068 0.000 2.519 468 Y HA 0.503 5.053 4.550 -0.000 0.000 0.324 468 Y C 1.484 177.371 175.900 -0.022 0.000 1.214 468 Y CA -1.019 57.051 58.100 -0.051 0.000 1.260 468 Y CB 1.409 39.840 38.460 -0.048 0.000 1.311 468 Y HN 0.868 nan 8.280 nan 0.000 0.505 469 K N -0.416 120.047 120.400 0.105 0.000 1.699 469 K HA -0.327 3.993 4.320 -0.000 0.000 0.127 469 K C 0.479 177.096 176.600 0.029 0.000 1.157 469 K CA 2.078 58.393 56.287 0.048 0.000 0.341 469 K CB -1.095 31.445 32.500 0.067 0.000 0.645 469 K HN 0.646 nan 8.250 nan 0.000 0.848 470 M N 0.985 120.604 119.600 0.031 0.000 2.549 470 M HA 0.087 4.567 4.480 -0.000 0.000 0.273 470 M C 0.500 176.881 176.300 0.135 0.000 1.213 470 M CA 0.189 55.505 55.300 0.027 0.000 0.976 470 M CB 0.568 33.126 32.600 -0.070 0.000 1.457 470 M HN 0.303 nan 8.290 nan 0.000 0.485 471 S N 0.105 115.904 115.700 0.166 0.000 2.535 471 S HA 0.396 4.866 4.470 -0.000 0.000 0.214 471 S C 0.791 175.429 174.600 0.063 0.000 0.980 471 S CA 0.376 58.683 58.200 0.179 0.000 0.907 471 S CB 0.508 63.802 63.200 0.156 0.000 0.790 471 S HN 0.732 nan 8.310 nan 0.000 0.510 472 G N 0.785 109.609 108.800 0.041 0.000 2.350 472 G HA2 0.360 4.320 3.960 -0.000 0.000 0.282 472 G HA3 0.360 4.320 3.960 -0.000 0.000 0.282 472 G C -1.436 173.447 174.900 -0.028 0.000 1.314 472 G CA -0.289 44.810 45.100 -0.003 0.000 0.915 472 G HN 0.717 nan 8.290 nan 0.000 0.499 473 S N -1.476 114.193 115.700 -0.051 0.000 2.547 473 S HA 0.939 5.409 4.470 -0.000 0.000 0.270 473 S C 0.390 174.940 174.600 -0.083 0.000 1.150 473 S CA 0.535 58.693 58.200 -0.071 0.000 0.850 473 S CB 1.336 64.499 63.200 -0.062 0.000 1.118 473 S HN 3.023 nan 8.310 nan 0.000 0.461 474 G N 1.093 109.836 108.800 -0.095 0.000 2.855 474 G HA2 0.119 4.079 3.960 -0.000 0.000 0.352 474 G HA3 0.119 4.079 3.960 -0.000 0.000 0.352 474 G C -1.100 173.738 174.900 -0.103 0.000 1.415 474 G CA -0.089 44.953 45.100 -0.097 0.000 0.871 474 G HN 1.035 nan 8.290 nan 0.000 0.543 475 Q N -0.580 119.170 119.800 -0.084 0.000 2.553 475 Q HA 0.656 4.995 4.340 -0.000 0.000 0.293 475 Q C -0.664 175.316 176.000 -0.033 0.000 1.038 475 Q CA -0.788 54.970 55.803 -0.075 0.000 0.777 475 Q CB 2.348 31.044 28.738 -0.069 0.000 1.487 475 Q HN 0.673 nan 8.270 nan 0.000 0.426 476 E N 0.840 121.010 120.200 -0.051 0.000 2.277 476 E HA 0.676 5.026 4.350 -0.000 0.000 0.266 476 E C -1.044 175.489 176.600 -0.112 0.000 0.901 476 E CA -0.774 55.584 56.400 -0.071 0.000 0.782 476 E CB 1.839 31.457 29.700 -0.137 0.000 1.228 476 E HN 0.455 nan 8.360 nan 0.000 0.424 477 L N 0.404 121.604 121.223 -0.039 0.000 0.584 477 L HA -0.254 4.086 4.340 -0.000 0.000 0.356 477 L C 0.542 177.529 176.870 0.195 0.000 0.992 477 L CA 0.898 55.774 54.840 0.061 0.000 1.223 477 L CB -0.971 40.925 42.059 -0.272 0.000 0.009 477 L HN 1.018 nan 8.230 nan 0.000 0.091 478 G N 0.513 109.423 108.800 0.183 0.000 2.877 478 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.279 478 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.279 478 G C 0.379 175.404 174.900 0.208 0.000 1.431 478 G CA 0.713 45.975 45.100 0.270 0.000 0.883 478 G HN 1.120 nan 8.290 nan 0.000 0.547 479 E N -0.868 119.357 120.200 0.042 0.000 2.153 479 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 479 E C 2.070 178.422 176.600 -0.413 0.000 0.988 479 E CA 1.809 57.927 56.400 -0.470 0.000 0.811 479 E CB -0.144 29.300 29.700 -0.426 0.000 0.746 479 E HN 0.643 nan 8.360 nan 0.000 0.466 480 Y N -0.329 119.910 120.300 -0.102 0.000 2.333 480 Y HA -0.077 4.473 4.550 -0.000 0.000 0.290 480 Y C 2.430 178.268 175.900 -0.103 0.000 1.144 480 Y CA 0.955 59.005 58.100 -0.084 0.000 1.228 480 Y CB -0.622 37.815 38.460 -0.038 0.000 0.985 480 Y HN 0.144 nan 8.280 nan 0.000 0.542 481 G N 0.075 108.931 108.800 0.093 0.000 2.448 481 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 481 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 481 G C 1.502 176.401 174.900 -0.002 0.000 1.127 481 G CA 0.815 45.962 45.100 0.078 0.000 0.766 481 G HN 0.403 nan 8.290 nan 0.000 0.552 482 L N -0.347 120.741 121.223 -0.226 0.000 2.313 482 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 482 L C 2.962 179.638 176.870 -0.323 0.000 1.119 482 L CA 0.501 55.087 54.840 -0.424 0.000 0.809 482 L CB -0.407 40.977 42.059 -1.123 0.000 0.933 482 L HN 0.254 nan 8.230 nan 0.000 0.449 483 Q N 0.542 120.212 119.800 -0.218 0.000 2.050 483 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 483 Q C 2.481 178.419 176.000 -0.102 0.000 0.980 483 Q CA 1.756 57.508 55.803 -0.084 0.000 0.840 483 Q CB -0.294 28.429 28.738 -0.024 0.000 0.898 483 Q HN 0.569 nan 8.270 nan 0.000 0.424 484 A N -0.147 122.579 122.820 -0.156 0.000 2.067 484 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 484 A C 0.934 178.254 177.584 -0.441 0.000 1.158 484 A CA 0.979 52.829 52.037 -0.311 0.000 0.661 484 A CB -0.331 18.413 19.000 -0.426 0.000 0.801 484 A HN 0.426 nan 8.150 nan 0.000 0.452 485 Y N -0.507 119.744 120.300 -0.081 0.000 2.607 485 Y HA 0.252 4.802 4.550 -0.000 0.000 0.266 485 Y C 0.352 176.232 175.900 -0.032 0.000 1.178 485 Y CA -0.047 58.016 58.100 -0.061 0.000 1.226 485 Y CB 0.498 38.914 38.460 -0.073 0.000 1.144 485 Y HN 0.040 nan 8.280 nan 0.000 0.528 486 T N 0.299 114.881 114.554 0.045 0.000 2.863 486 T HA 0.370 4.720 4.350 -0.000 0.000 0.285 486 T C -1.036 173.664 174.700 0.001 0.000 1.009 486 T CA -0.643 61.490 62.100 0.055 0.000 0.989 486 T CB 1.931 70.845 68.868 0.076 0.000 1.004 486 T HN -0.050 nan 8.240 nan 0.000 0.455 487 E N 1.811 122.033 120.200 0.036 0.000 2.171 487 E HA 0.549 4.899 4.350 -0.000 0.000 0.271 487 E C -1.221 175.398 176.600 0.031 0.000 0.916 487 E CA -0.579 55.836 56.400 0.025 0.000 0.774 487 E CB 1.194 30.931 29.700 0.061 0.000 1.128 487 E HN 0.304 nan 8.360 nan 0.000 0.403 488 V N 5.278 125.196 119.914 0.007 0.000 2.350 488 V HA 0.337 4.457 4.120 -0.000 0.000 0.276 488 V C 0.037 176.151 176.094 0.033 0.000 1.028 488 V CA -0.639 61.692 62.300 0.053 0.000 0.860 488 V CB 1.161 33.003 31.823 0.032 0.000 0.990 488 V HN 0.538 nan 8.190 nan 0.000 0.453 489 K N 3.228 123.652 120.400 0.039 0.000 2.235 489 K HA 0.525 4.845 4.320 -0.000 0.000 0.266 489 K C -0.580 175.965 176.600 -0.090 0.000 0.980 489 K CA -0.363 55.910 56.287 -0.023 0.000 0.849 489 K CB 1.404 33.895 32.500 -0.016 0.000 1.098 489 K HN 0.680 nan 8.250 nan 0.000 0.445 490 T N 3.123 117.594 114.554 -0.140 0.000 2.749 490 T HA 0.287 4.636 4.350 -0.000 0.000 0.287 490 T C -0.690 173.806 174.700 -0.340 0.000 0.970 490 T CA -0.561 61.400 62.100 -0.232 0.000 0.980 490 T CB 1.172 69.935 68.868 -0.174 0.000 0.924 490 T HN 0.273 nan 8.240 nan 0.000 0.456 491 V N 4.103 123.648 119.914 -0.616 0.000 2.384 491 V HA 0.473 4.593 4.120 -0.000 0.000 0.287 491 V C 0.151 175.869 176.094 -0.627 0.000 1.020 491 V CA -0.693 61.207 62.300 -0.667 0.000 0.850 491 V CB 1.769 32.978 31.823 -1.024 0.000 0.987 491 V HN 0.947 nan 8.190 nan 0.000 0.436 492 T N 4.609 118.960 114.554 -0.339 0.000 2.864 492 T HA 0.490 4.840 4.350 -0.000 0.000 0.310 492 T C -0.308 174.361 174.700 -0.052 0.000 1.040 492 T CA -0.322 61.643 62.100 -0.224 0.000 0.977 492 T CB 1.253 69.968 68.868 -0.254 0.000 0.976 492 T HN 0.335 nan 8.240 nan 0.000 0.459 493 V N 3.831 123.789 119.914 0.073 0.000 2.481 493 V HA 0.439 4.559 4.120 -0.000 0.000 0.286 493 V C 0.522 176.830 176.094 0.356 0.000 1.042 493 V CA -1.073 61.355 62.300 0.213 0.000 0.928 493 V CB 1.582 33.578 31.823 0.288 0.000 0.986 493 V HN 0.708 nan 8.190 nan 0.000 0.462 494 K N 4.037 124.622 120.400 0.308 0.000 2.297 494 K HA 0.514 4.834 4.320 -0.000 0.000 0.286 494 K C -0.575 176.074 176.600 0.082 0.000 1.053 494 K CA -0.298 56.119 56.287 0.218 0.000 0.940 494 K CB 1.207 33.806 32.500 0.165 0.000 1.019 494 K HN 0.670 nan 8.250 nan 0.000 0.475 495 V N 1.952 121.852 119.914 -0.024 0.000 2.919 495 V HA 0.423 4.543 4.120 -0.000 0.000 0.316 495 V C -2.085 173.964 176.094 -0.076 0.000 1.077 495 V CA -1.974 60.318 62.300 -0.014 0.000 0.977 495 V CB 1.198 33.034 31.823 0.022 0.000 1.039 495 V HN 0.669 nan 8.190 nan 0.000 0.441 496 P HA -0.089 nan 4.420 nan 0.000 0.212 496 P C -0.002 177.254 177.300 -0.073 0.000 1.178 496 P CA 1.369 64.435 63.100 -0.056 0.000 0.915 496 P CB 0.114 31.791 31.700 -0.039 0.000 0.788 497 Q N -1.218 118.543 119.800 -0.065 0.000 2.331 497 Q HA 0.177 4.517 4.340 -0.000 0.000 0.249 497 Q C -1.054 174.915 176.000 -0.052 0.000 0.913 497 Q CA -0.714 55.050 55.803 -0.064 0.000 0.874 497 Q CB 1.149 29.858 28.738 -0.049 0.000 1.384 497 Q HN -0.158 nan 8.270 nan 0.000 0.427 498 K N 3.499 123.868 120.400 -0.052 0.000 2.270 498 K HA 0.317 4.637 4.320 -0.000 0.000 0.276 498 K C -0.975 175.613 176.600 -0.019 0.000 1.023 498 K CA 0.040 56.312 56.287 -0.025 0.000 0.955 498 K CB 0.697 33.195 32.500 -0.003 0.000 0.975 498 K HN 0.669 nan 8.250 nan 0.000 0.471 499 N N 1.066 119.757 118.700 -0.016 0.000 2.329 499 N HA 0.099 4.838 4.740 -0.000 0.000 0.282 499 N C -0.898 174.608 175.510 -0.007 0.000 1.198 499 N CA -0.532 52.510 53.050 -0.014 0.000 0.790 499 N CB 2.020 40.493 38.487 -0.022 0.000 1.579 499 N HN 0.744 nan 8.380 nan 0.000 0.475 500 S N 0.000 115.698 115.700 -0.003 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.201 58.200 0.002 0.000 1.107 500 S CB 0.000 63.202 63.200 0.003 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517