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 3be8_1_A DATA FIRST_RESID -8 DATA SEQUENCE DDDKLAAAXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXQYPVVNTN YGKIRGLRTP LPNEILGPVE QYLGVPYASP PTGERRFQPP DATA SEQUENCE EPPSSWTGIR NTTQFAAVcP QHLDERSLLH DMLPIWFTAN LDTLMTYVQD DATA SEQUENCE QNEDcLYLNI YVPTEDDIXX XXSKKPVMVY IHGGSYMEGT GNMIDGSILA DATA SEQUENCE SYGNVIVITI NYRLGILGFL STGDQAAKGN YGLLDQIQAL RWIEENVGAF DATA SEQUENCE GGDPKRVTIF GSGAGASCVS LLTLSHYSEG LFQKAIIQSG TALSSWAVNY DATA SEQUENCE QPAKYTRILA DKVGCNMLDT TDMVECLRNK NYKELIQQTI TPATYHIAFG DATA SEQUENCE PVIDGDVIPD DPQILMEQGE FLNYDIMLGV NQGEGLKFVD GIVDNEDGVT DATA SEQUENCE PNDFDFSVSN FVDNLYGYPE GKDTLRETIK FMYTDWADKE NPETRRKTLV DATA SEQUENCE ALFTDHQWVA PAVATADLHA QYGSPTYFYA FYHHcQSEMK PSWADSAHGD DATA SEQUENCE EVPYVFGIPM IGPTELFScN FSKNDVMLSA VVMTYWTNFA KTGDPNQPVP DATA SEQUENCE XXXXXXXXXX XXXXXVAWSR YNPKDQLYLH IGLKPRVRDH YRATKVAFWL DATA SEQUENCE ELVPHL 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 -8 D HA 0.000 nan 4.640 nan 0.000 0.175 -8 D C 0.000 176.312 176.300 0.019 0.000 2.045 -8 D CA 0.000 54.012 54.000 0.020 0.000 0.868 -8 D CB 0.000 40.814 40.800 0.024 0.000 0.688 -7 D N 0.282 120.695 120.400 0.022 0.000 2.652 -7 D HA -0.086 4.553 4.640 -0.001 0.000 0.261 -7 D C 0.069 176.382 176.300 0.023 0.000 1.024 -7 D CA 0.249 54.261 54.000 0.020 0.000 0.958 -7 D CB 0.463 41.274 40.800 0.019 0.000 1.113 -7 D HN 0.180 nan 8.370 nan 0.000 0.471 -6 D N 0.236 120.654 120.400 0.030 0.000 2.522 -6 D HA 0.096 4.736 4.640 -0.001 0.000 0.218 -6 D C 0.502 176.825 176.300 0.039 0.000 1.149 -6 D CA -0.005 54.016 54.000 0.035 0.000 0.981 -6 D CB 0.569 41.395 40.800 0.042 0.000 1.041 -6 D HN 0.079 nan 8.370 nan 0.000 0.518 -5 K N 1.623 122.041 120.400 0.029 0.000 2.209 -5 K HA -0.125 4.194 4.320 -0.001 0.000 0.204 -5 K C 1.687 178.301 176.600 0.025 0.000 1.048 -5 K CA 0.601 56.904 56.287 0.026 0.000 0.940 -5 K CB 0.169 32.680 32.500 0.018 0.000 0.729 -5 K HN 0.285 nan 8.250 nan 0.000 0.451 -4 L N 0.515 121.753 121.223 0.026 0.000 2.044 -4 L HA -0.021 4.319 4.340 -0.001 0.000 0.205 -4 L C 2.085 178.972 176.870 0.028 0.000 1.075 -4 L CA 1.684 56.534 54.840 0.017 0.000 0.747 -4 L CB -0.684 41.385 42.059 0.018 0.000 0.903 -4 L HN 0.096 nan 8.230 nan 0.000 0.435 -3 A N -0.303 122.565 122.820 0.081 0.000 1.908 -3 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 -3 A C 2.421 180.097 177.584 0.153 0.000 1.181 -3 A CA 1.808 53.951 52.037 0.178 0.000 0.627 -3 A CB -1.177 17.927 19.000 0.173 0.000 0.818 -3 A HN 0.569 nan 8.150 nan 0.000 0.445 -2 A N -0.439 122.436 122.820 0.091 0.000 2.015 -2 A HA 0.411 4.730 4.320 -0.001 0.000 0.219 -2 A C 1.625 179.238 177.584 0.049 0.000 1.163 -2 A CA 1.291 53.375 52.037 0.078 0.000 0.646 -2 A CB -0.854 18.181 19.000 0.058 0.000 0.806 -2 A HN 0.992 nan 8.150 nan 0.000 0.448 45 Y N 2.385 122.677 120.300 -0.012 0.000 2.658 45 Y HA 0.367 4.917 4.550 -0.001 0.000 0.362 45 Y C -2.444 173.466 175.900 0.017 0.000 1.017 45 Y CA -2.483 55.606 58.100 -0.017 0.000 1.134 45 Y CB 0.653 39.108 38.460 -0.009 0.000 1.144 45 Y HN -0.024 nan 8.280 nan 0.000 0.655 46 P HA 0.076 nan 4.420 nan 0.000 0.271 46 P C -0.240 177.213 177.300 0.255 0.000 1.216 46 P CA 0.203 63.397 63.100 0.157 0.000 0.771 46 P CB 2.205 34.004 31.700 0.164 0.000 0.864 47 V N 4.411 124.444 119.914 0.197 0.000 2.435 47 V HA 0.298 4.418 4.120 -0.001 0.000 0.290 47 V C 0.399 176.543 176.094 0.083 0.000 1.030 47 V CA -0.619 61.788 62.300 0.177 0.000 0.881 47 V CB 2.022 33.920 31.823 0.124 0.000 0.983 47 V HN 0.291 nan 8.190 nan 0.000 0.445 48 V N 3.726 123.644 119.914 0.007 0.000 2.604 48 V HA 0.443 4.562 4.120 -0.001 0.000 0.305 48 V C -0.151 175.852 176.094 -0.151 0.000 1.043 48 V CA -0.848 61.299 62.300 -0.255 0.000 0.888 48 V CB 2.144 33.463 31.823 -0.841 0.000 0.995 48 V HN 0.845 nan 8.190 nan 0.000 0.429 49 N N 3.223 121.827 118.700 -0.160 0.000 2.469 49 N HA 0.259 4.998 4.740 -0.001 0.000 0.239 49 N C 0.113 175.540 175.510 -0.137 0.000 1.053 49 N CA -0.078 52.912 53.050 -0.101 0.000 0.937 49 N CB 1.073 39.507 38.487 -0.089 0.000 1.163 49 N HN 0.923 nan 8.380 nan 0.000 0.509 50 T N 0.771 115.289 114.554 -0.059 0.000 2.824 50 T HA 0.236 4.585 4.350 -0.001 0.000 0.277 50 T C 1.247 175.846 174.700 -0.170 0.000 0.975 50 T CA -0.514 61.556 62.100 -0.049 0.000 0.966 50 T CB 0.606 69.612 68.868 0.231 0.000 1.054 50 T HN 0.288 nan 8.240 nan 0.000 0.533 51 N N -0.251 118.288 118.700 -0.269 0.000 2.519 51 N HA -0.039 4.701 4.740 -0.001 0.000 0.186 51 N C 0.616 175.732 175.510 -0.657 0.000 1.062 51 N CA 0.950 53.723 53.050 -0.461 0.000 0.910 51 N CB -0.401 37.733 38.487 -0.588 0.000 0.958 51 N HN 0.674 nan 8.380 nan 0.000 0.445 52 Y N -0.639 119.492 120.300 -0.281 0.000 2.467 52 Y HA 0.420 4.970 4.550 -0.001 0.000 0.250 52 Y C 1.512 176.719 175.900 -1.155 0.000 1.155 52 Y CA 0.047 57.841 58.100 -0.510 0.000 1.249 52 Y CB 0.704 38.977 38.460 -0.311 0.000 1.146 52 Y HN -0.039 nan 8.280 nan 0.000 0.524 53 G N 0.165 108.510 108.800 -0.759 0.000 2.361 53 G HA2 0.018 3.977 3.960 -0.001 0.000 0.331 53 G HA3 0.018 3.977 3.960 -0.001 0.000 0.331 53 G C -1.482 173.340 174.900 -0.129 0.000 1.324 53 G CA -1.351 43.255 45.100 -0.823 0.000 0.984 53 G HN -0.063 nan 8.290 nan 0.000 0.586 54 K N -0.014 120.497 120.400 0.184 0.000 2.174 54 K HA 0.654 4.974 4.320 -0.001 0.000 0.275 54 K C 0.415 177.339 176.600 0.540 0.000 1.015 54 K CA -0.390 56.077 56.287 0.300 0.000 0.933 54 K CB 1.547 34.163 32.500 0.194 0.000 1.025 54 K HN 0.672 nan 8.250 nan 0.000 0.463 55 I N -1.265 119.544 120.570 0.397 0.000 2.740 55 I HA 0.546 4.716 4.170 -0.001 0.000 0.303 55 I C -0.823 175.486 176.117 0.321 0.000 1.044 55 I CA -1.137 60.388 61.300 0.374 0.000 1.064 55 I CB 2.117 40.383 38.000 0.443 0.000 1.249 55 I HN 0.500 nan 8.210 nan 0.000 0.433 56 R N 3.435 124.100 120.500 0.275 0.000 2.437 56 R HA 0.707 5.047 4.340 -0.001 0.000 0.310 56 R C -0.427 175.999 176.300 0.209 0.000 0.955 56 R CA -0.366 55.879 56.100 0.242 0.000 0.851 56 R CB 1.796 32.180 30.300 0.139 0.000 1.161 56 R HN 1.060 nan 8.270 nan 0.000 0.446 57 G N 2.626 111.497 108.800 0.118 0.000 2.828 57 G HA2 0.521 4.480 3.960 -0.001 0.000 0.244 57 G HA3 0.521 4.480 3.960 -0.001 0.000 0.244 57 G C -1.522 173.271 174.900 -0.177 0.000 1.365 57 G CA -0.675 44.248 45.100 -0.296 0.000 1.041 57 G HN 0.431 nan 8.290 nan 0.000 0.560 58 L N 0.074 121.122 121.223 -0.293 0.000 2.404 58 L HA 0.472 4.812 4.340 -0.001 0.000 0.272 58 L C 0.359 177.106 176.870 -0.205 0.000 0.980 58 L CA -0.616 54.131 54.840 -0.155 0.000 0.836 58 L CB 1.870 43.861 42.059 -0.113 0.000 1.238 58 L HN 0.506 nan 8.230 nan 0.000 0.408 59 R N 2.451 122.833 120.500 -0.196 0.000 2.401 59 R HA 0.371 4.711 4.340 -0.001 0.000 0.299 59 R C -1.042 175.184 176.300 -0.123 0.000 1.064 59 R CA 0.202 56.213 56.100 -0.147 0.000 1.000 59 R CB 0.423 30.636 30.300 -0.144 0.000 0.973 59 R HN 0.610 nan 8.270 nan 0.000 0.438 60 T N 8.039 122.548 114.554 -0.074 0.000 2.864 60 T HA 0.314 4.664 4.350 -0.001 0.000 0.299 60 T C -2.490 172.195 174.700 -0.025 0.000 1.011 60 T CA -1.378 60.693 62.100 -0.049 0.000 0.975 60 T CB 1.683 70.533 68.868 -0.030 0.000 0.962 60 T HN 0.516 nan 8.240 nan 0.000 0.448 61 P HA 0.282 nan 4.420 nan 0.000 0.272 61 P C -0.945 176.348 177.300 -0.011 0.000 1.223 61 P CA -0.672 62.416 63.100 -0.019 0.000 0.784 61 P CB 0.671 32.356 31.700 -0.025 0.000 0.923 62 L N 4.695 125.914 121.223 -0.007 0.000 2.307 62 L HA 0.362 4.701 4.340 -0.001 0.000 0.284 62 L C -1.241 175.620 176.870 -0.014 0.000 1.023 62 L CA -2.130 52.705 54.840 -0.009 0.000 0.810 62 L CB 0.495 42.552 42.059 -0.004 0.000 1.231 62 L HN 0.259 nan 8.230 nan 0.000 0.423 63 P HA -0.119 nan 4.420 nan 0.000 0.216 63 P C 0.282 177.571 177.300 -0.018 0.000 1.150 63 P CA 0.720 63.809 63.100 -0.018 0.000 0.837 63 P CB 0.074 31.762 31.700 -0.020 0.000 0.786 64 N N 0.888 119.574 118.700 -0.023 0.000 2.365 64 N HA -0.100 4.640 4.740 -0.001 0.000 0.265 64 N C 0.929 176.432 175.510 -0.011 0.000 1.288 64 N CA 0.543 53.580 53.050 -0.021 0.000 0.869 64 N CB 0.353 38.822 38.487 -0.029 0.000 1.071 64 N HN 0.176 nan 8.380 nan 0.000 0.480 65 E N 2.631 122.825 120.200 -0.010 0.000 2.204 65 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 65 E C 1.036 177.634 176.600 -0.003 0.000 0.990 65 E CA 0.904 57.300 56.400 -0.007 0.000 0.821 65 E CB 0.155 29.851 29.700 -0.007 0.000 0.750 65 E HN 0.545 nan 8.360 nan 0.000 0.477 66 I N 0.510 121.082 120.570 0.002 0.000 3.883 66 I HA 0.061 4.230 4.170 -0.001 0.000 0.326 66 I C -0.265 175.862 176.117 0.016 0.000 1.283 66 I CA 0.254 61.559 61.300 0.008 0.000 1.161 66 I CB 0.439 38.447 38.000 0.013 0.000 1.012 66 I HN -0.097 nan 8.210 nan 0.000 0.421 67 L N 0.655 121.889 121.223 0.017 0.000 2.287 67 L HA 0.516 4.855 4.340 -0.001 0.000 0.287 67 L C 0.798 177.675 176.870 0.013 0.000 1.022 67 L CA -0.770 54.085 54.840 0.025 0.000 0.814 67 L CB 1.075 43.154 42.059 0.034 0.000 1.217 67 L HN 0.120 nan 8.230 nan 0.000 0.420 68 G N 3.470 112.278 108.800 0.012 0.000 2.606 68 G HA2 0.373 4.333 3.960 -0.001 0.000 0.252 68 G HA3 0.373 4.333 3.960 -0.001 0.000 0.252 68 G C -2.517 172.394 174.900 0.018 0.000 1.206 68 G CA -0.843 44.264 45.100 0.010 0.000 0.861 68 G HN 0.319 nan 8.290 nan 0.000 0.561 69 P HA 0.258 nan 4.420 nan 0.000 0.271 69 P C -0.015 177.309 177.300 0.039 0.000 1.233 69 P CA -0.262 62.847 63.100 0.015 0.000 0.789 69 P CB 0.928 32.626 31.700 -0.004 0.000 0.951 70 V N -2.502 117.442 119.914 0.050 0.000 2.914 70 V HA 0.534 4.653 4.120 -0.001 0.000 0.314 70 V C -0.474 175.650 176.094 0.050 0.000 1.084 70 V CA -1.006 61.347 62.300 0.089 0.000 0.963 70 V CB 2.002 33.920 31.823 0.159 0.000 1.025 70 V HN 0.355 nan 8.190 nan 0.000 0.432 71 E N 2.401 122.643 120.200 0.070 0.000 2.229 71 E HA 0.394 4.744 4.350 -0.001 0.000 0.283 71 E C -0.860 175.677 176.600 -0.106 0.000 1.030 71 E CA -0.318 56.060 56.400 -0.036 0.000 0.836 71 E CB 1.388 31.138 29.700 0.085 0.000 1.068 71 E HN 0.712 nan 8.360 nan 0.000 0.401 72 Q N 2.511 122.126 119.800 -0.309 0.000 2.307 72 Q HA 0.312 4.652 4.340 -0.001 0.000 0.262 72 Q C -1.226 174.447 176.000 -0.544 0.000 0.961 72 Q CA -0.526 55.052 55.803 -0.374 0.000 0.882 72 Q CB 1.314 29.875 28.738 -0.295 0.000 1.264 72 Q HN 0.517 nan 8.270 nan 0.000 0.446 73 Y N 2.721 122.945 120.300 -0.126 0.000 2.555 73 Y HA 0.363 4.913 4.550 -0.001 0.000 0.326 73 Y C -0.526 175.320 175.900 -0.090 0.000 0.984 73 Y CA -0.570 57.525 58.100 -0.008 0.000 1.298 73 Y CB 0.789 39.358 38.460 0.181 0.000 1.094 73 Y HN 0.367 nan 8.280 nan 0.000 0.500 74 L N 2.437 123.646 121.223 -0.023 0.000 2.295 74 L HA 0.695 5.035 4.340 -0.001 0.000 0.285 74 L C 0.852 177.741 176.870 0.032 0.000 1.035 74 L CA -0.885 53.931 54.840 -0.040 0.000 0.806 74 L CB 1.642 43.551 42.059 -0.250 0.000 1.214 74 L HN 0.895 nan 8.230 nan 0.000 0.426 75 G N 2.590 111.451 108.800 0.102 0.000 2.248 75 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.252 75 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.252 75 G C -0.298 174.699 174.900 0.162 0.000 1.085 75 G CA -0.378 44.753 45.100 0.052 0.000 0.845 75 G HN 0.372 nan 8.290 nan 0.000 0.494 76 V N 1.980 122.004 119.914 0.183 0.000 2.427 76 V HA 0.383 4.502 4.120 -0.001 0.000 0.268 76 V C -1.129 175.005 176.094 0.066 0.000 1.046 76 V CA -1.364 61.010 62.300 0.122 0.000 0.970 76 V CB 1.205 33.031 31.823 0.006 0.000 1.001 76 V HN 0.340 nan 8.190 nan 0.000 0.476 77 P HA 0.113 nan 4.420 nan 0.000 0.276 77 P C -0.518 176.537 177.300 -0.408 0.000 1.243 77 P CA 0.073 62.987 63.100 -0.309 0.000 0.768 77 P CB 0.367 31.953 31.700 -0.189 0.000 0.856 78 Y N 2.134 122.085 120.300 -0.582 0.000 2.481 78 Y HA 0.715 5.264 4.550 -0.001 0.000 0.247 78 Y C 0.051 175.792 175.900 -0.265 0.000 1.151 78 Y CA -0.635 57.083 58.100 -0.637 0.000 1.238 78 Y CB 0.382 38.467 38.460 -0.625 0.000 1.179 78 Y HN 0.452 nan 8.280 nan 0.000 0.524 79 A N -0.037 122.467 122.820 -0.527 0.000 2.610 79 A HA 0.638 4.957 4.320 -0.001 0.000 0.291 79 A C -0.741 176.631 177.584 -0.352 0.000 1.086 79 A CA -0.774 51.051 52.037 -0.352 0.000 0.677 79 A CB 0.636 19.398 19.000 -0.397 0.000 1.278 79 A HN 0.116 nan 8.150 nan 0.000 0.414 80 S N 1.578 117.156 115.700 -0.203 0.000 2.579 80 S HA 0.410 4.879 4.470 -0.001 0.000 0.275 80 S C -2.421 172.054 174.600 -0.209 0.000 1.345 80 S CA -0.290 57.811 58.200 -0.164 0.000 1.031 80 S CB 0.046 63.197 63.200 -0.081 0.000 0.892 80 S HN 0.500 nan 8.310 nan 0.000 0.529 81 P HA 0.115 nan 4.420 nan 0.000 0.262 81 P C -2.334 174.873 177.300 -0.155 0.000 1.199 81 P CA -0.973 62.026 63.100 -0.169 0.000 0.763 81 P CB -0.145 31.493 31.700 -0.103 0.000 0.790 82 P HA 0.041 nan 4.420 nan 0.000 0.220 82 P C -0.517 176.662 177.300 -0.202 0.000 1.806 82 P CA 0.072 63.062 63.100 -0.184 0.000 0.976 82 P CB -0.310 31.272 31.700 -0.198 0.000 1.952 83 T N -3.670 110.788 114.554 -0.159 0.000 2.942 83 T HA 0.648 4.997 4.350 -0.001 0.000 0.289 83 T C 0.866 175.491 174.700 -0.123 0.000 1.044 83 T CA 0.077 62.090 62.100 -0.145 0.000 1.023 83 T CB 1.801 70.609 68.868 -0.100 0.000 1.123 83 T HN 0.296 nan 8.240 nan 0.000 0.512 84 G N 2.259 110.993 108.800 -0.111 0.000 2.634 84 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.318 84 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.318 84 G C 0.863 175.706 174.900 -0.095 0.000 1.207 84 G CA 0.896 45.946 45.100 -0.083 0.000 0.987 84 G HN 1.267 nan 8.290 nan 0.000 0.547 85 E N 0.850 121.011 120.200 -0.066 0.000 2.418 85 E HA 0.056 4.406 4.350 -0.001 0.000 0.197 85 E C 2.235 178.790 176.600 -0.075 0.000 1.026 85 E CA 0.965 57.333 56.400 -0.053 0.000 0.862 85 E CB -0.066 29.620 29.700 -0.024 0.000 0.799 85 E HN 0.587 nan 8.360 nan 0.000 0.518 86 R N 0.889 121.327 120.500 -0.104 0.000 2.310 86 R HA 0.140 4.479 4.340 -0.001 0.000 0.202 86 R C 0.850 177.018 176.300 -0.220 0.000 0.933 86 R CA -0.266 55.759 56.100 -0.125 0.000 1.054 86 R CB 0.030 30.268 30.300 -0.103 0.000 0.985 86 R HN 0.031 nan 8.270 nan 0.000 0.489 87 R N 0.979 121.306 120.500 -0.289 0.000 2.537 87 R HA -0.072 4.267 4.340 -0.001 0.000 0.280 87 R C -0.524 175.442 176.300 -0.556 0.000 1.058 87 R CA 0.103 55.885 56.100 -0.530 0.000 1.057 87 R CB 0.216 30.123 30.300 -0.656 0.000 0.973 87 R HN 0.051 nan 8.270 nan 0.000 0.438 88 F N 0.530 120.161 119.950 -0.533 0.000 3.090 88 F HA -0.281 4.245 4.527 -0.001 0.000 0.282 88 F C -0.274 175.018 175.800 -0.847 0.000 0.923 88 F CA 0.877 58.299 58.000 -0.964 0.000 0.977 88 F CB -1.671 37.081 39.000 -0.413 0.000 0.954 88 F HN 0.561 nan 8.300 nan 0.000 0.695 89 Q N -1.017 118.479 119.800 -0.507 0.000 2.451 89 Q HA 0.555 4.895 4.340 -0.001 0.000 0.281 89 Q C -2.371 173.634 176.000 0.007 0.000 1.099 89 Q CA -2.054 53.674 55.803 -0.125 0.000 0.806 89 Q CB 1.868 30.575 28.738 -0.052 0.000 1.419 89 Q HN -0.169 nan 8.270 nan 0.000 0.427 90 P HA 0.075 nan 4.420 nan 0.000 0.268 90 P C -2.370 174.971 177.300 0.069 0.000 1.208 90 P CA -0.669 62.523 63.100 0.154 0.000 0.777 90 P CB -0.330 31.445 31.700 0.125 0.000 0.875 91 P HA 0.119 nan 4.420 nan 0.000 0.271 91 P C -0.486 176.842 177.300 0.046 0.000 1.218 91 P CA 0.254 63.371 63.100 0.027 0.000 0.780 91 P CB 0.793 32.523 31.700 0.051 0.000 0.901 92 E N 2.394 122.603 120.200 0.015 0.000 2.222 92 E HA 0.451 4.801 4.350 -0.001 0.000 0.267 92 E C -2.269 174.354 176.600 0.039 0.000 0.963 92 E CA -2.322 54.102 56.400 0.040 0.000 0.837 92 E CB 0.130 29.845 29.700 0.025 0.000 1.183 92 E HN 0.317 nan 8.360 nan 0.000 0.403 93 P HA 0.094 nan 4.420 nan 0.000 0.269 93 P C -2.369 174.929 177.300 -0.004 0.000 1.215 93 P CA -0.871 62.288 63.100 0.098 0.000 0.780 93 P CB -0.347 31.484 31.700 0.219 0.000 0.898 94 P HA 0.072 nan 4.420 nan 0.000 0.274 94 P C -0.460 176.816 177.300 -0.041 0.000 1.246 94 P CA -0.055 62.942 63.100 -0.172 0.000 0.795 94 P CB 0.537 32.069 31.700 -0.281 0.000 1.006 95 S N 0.247 115.997 115.700 0.083 0.000 2.576 95 S HA 0.191 4.660 4.470 -0.001 0.000 0.276 95 S C 0.596 175.408 174.600 0.355 0.000 1.339 95 S CA -0.206 58.115 58.200 0.200 0.000 1.039 95 S CB -0.069 63.236 63.200 0.175 0.000 0.902 95 S HN 0.391 nan 8.310 nan 0.000 0.516 96 S N 1.525 117.414 115.700 0.316 0.000 2.614 96 S HA 0.532 5.002 4.470 -0.001 0.000 0.265 96 S C -0.381 174.387 174.600 0.279 0.000 1.303 96 S CA -0.493 57.812 58.200 0.175 0.000 1.000 96 S CB 0.229 63.450 63.200 0.035 0.000 0.935 96 S HN 0.726 nan 8.310 nan 0.000 0.551 97 W N -0.417 120.969 121.300 0.143 0.000 3.062 97 W HA 0.657 5.316 4.660 -0.001 0.000 0.336 97 W C -0.628 175.940 176.519 0.081 0.000 1.224 97 W CA -1.024 56.381 57.345 0.099 0.000 1.159 97 W CB -0.135 29.384 29.460 0.099 0.000 1.454 97 W HN 0.631 nan 8.180 nan 0.000 0.569 98 T N 0.029 114.745 114.554 0.271 0.000 2.927 98 T HA 0.763 5.112 4.350 -0.001 0.000 0.281 98 T C 0.673 175.551 174.700 0.297 0.000 0.998 98 T CA 0.189 62.398 62.100 0.181 0.000 1.019 98 T CB 0.852 69.789 68.868 0.115 0.000 1.061 98 T HN 2.152 nan 8.240 nan 0.000 0.518 99 G N 0.642 109.563 108.800 0.202 0.000 2.645 99 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.239 99 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.239 99 G C -0.664 174.409 174.900 0.288 0.000 1.331 99 G CA -0.268 44.950 45.100 0.197 0.000 0.890 99 G HN 1.047 nan 8.290 nan 0.000 0.572 100 I N 0.851 121.550 120.570 0.214 0.000 2.382 100 I HA 0.416 4.586 4.170 -0.001 0.000 0.286 100 I C 0.732 176.927 176.117 0.130 0.000 1.002 100 I CA -0.583 60.848 61.300 0.219 0.000 1.135 100 I CB 1.695 39.781 38.000 0.142 0.000 1.288 100 I HN 0.564 nan 8.210 nan 0.000 0.448 101 R N 5.302 125.867 120.500 0.108 0.000 2.254 101 R HA 0.297 4.637 4.340 -0.001 0.000 0.318 101 R C -0.569 175.713 176.300 -0.031 0.000 1.031 101 R CA -0.680 55.333 56.100 -0.146 0.000 0.905 101 R CB 0.676 30.582 30.300 -0.656 0.000 1.050 101 R HN 0.515 nan 8.270 nan 0.000 0.456 102 N N 2.158 120.826 118.700 -0.052 0.000 2.497 102 N HA 0.034 4.774 4.740 -0.001 0.000 0.268 102 N C -0.604 174.896 175.510 -0.018 0.000 1.171 102 N CA 0.329 53.369 53.050 -0.017 0.000 0.948 102 N CB 1.562 40.022 38.487 -0.046 0.000 1.069 102 N HN 0.578 nan 8.380 nan 0.000 0.460 103 T N -2.444 112.138 114.554 0.046 0.000 3.401 103 T HA 0.268 4.617 4.350 -0.001 0.000 0.341 103 T C 0.582 175.281 174.700 -0.001 0.000 1.674 103 T CA -0.736 61.395 62.100 0.051 0.000 1.600 103 T CB -0.408 68.568 68.868 0.181 0.000 0.974 103 T HN 0.434 nan 8.240 nan 0.000 0.672 104 T N -1.318 113.200 114.554 -0.060 0.000 3.043 104 T HA 0.297 4.647 4.350 -0.001 0.000 0.272 104 T C 0.309 174.914 174.700 -0.157 0.000 0.990 104 T CA -0.405 61.635 62.100 -0.101 0.000 0.897 104 T CB -0.014 68.816 68.868 -0.064 0.000 1.111 104 T HN 0.757 nan 8.240 nan 0.000 0.529 105 Q N 0.024 119.725 119.800 -0.163 0.000 2.511 105 Q HA 0.604 4.944 4.340 -0.001 0.000 0.289 105 Q C -1.500 174.407 176.000 -0.154 0.000 1.021 105 Q CA -1.195 54.477 55.803 -0.219 0.000 0.785 105 Q CB 0.649 29.305 28.738 -0.136 0.000 1.472 105 Q HN 0.022 nan 8.270 nan 0.000 0.411 106 F N 1.371 121.279 119.950 -0.069 0.000 2.607 106 F HA 0.334 4.860 4.527 -0.001 0.000 0.374 106 F C 0.952 176.661 175.800 -0.151 0.000 1.104 106 F CA 0.427 58.378 58.000 -0.082 0.000 1.296 106 F CB 0.394 39.366 39.000 -0.048 0.000 1.085 106 F HN 0.743 nan 8.300 nan 0.000 0.584 107 A N 2.656 125.465 122.820 -0.018 0.000 2.259 107 A HA 0.733 5.052 4.320 -0.001 0.000 0.278 107 A C 0.082 177.564 177.584 -0.170 0.000 1.107 107 A CA -0.315 51.538 52.037 -0.305 0.000 0.828 107 A CB -0.121 18.324 19.000 -0.925 0.000 1.111 107 A HN 0.994 nan 8.150 nan 0.000 0.498 108 A N -0.490 122.204 122.820 -0.209 0.000 2.520 108 A HA 0.448 4.767 4.320 -0.001 0.000 0.235 108 A C 0.302 177.854 177.584 -0.054 0.000 1.065 108 A CA -0.001 51.974 52.037 -0.102 0.000 0.764 108 A CB -0.328 18.619 19.000 -0.088 0.000 1.002 108 A HN 0.994 nan 8.150 nan 0.000 0.502 109 V N 1.347 121.228 119.914 -0.054 0.000 2.863 109 V HA 0.165 4.284 4.120 -0.001 0.000 0.307 109 V C 0.591 176.649 176.094 -0.061 0.000 1.061 109 V CA -0.702 61.570 62.300 -0.047 0.000 1.024 109 V CB 1.318 33.125 31.823 -0.027 0.000 1.049 109 V HN 1.042 nan 8.190 nan 0.000 0.471 110 c N 5.090 123.656 118.600 -0.057 0.000 2.644 110 c HA 0.259 4.828 4.570 -0.001 0.000 0.417 110 c C -2.048 171.980 174.090 -0.104 0.000 1.304 110 c CA -0.825 55.450 56.329 -0.090 0.000 2.035 110 c CB -0.280 42.189 42.510 -0.069 0.000 2.673 110 c HN 0.653 nan 8.230 nan 0.000 0.602 111 P HA 0.139 nan 4.420 nan 0.000 0.265 111 P C -0.856 176.435 177.300 -0.016 0.000 1.193 111 P CA 0.550 63.552 63.100 -0.163 0.000 0.765 111 P CB 0.210 31.637 31.700 -0.454 0.000 0.823 112 Q N 1.509 121.343 119.800 0.055 0.000 2.352 112 Q HA 0.548 4.887 4.340 -0.001 0.000 0.270 112 Q C -1.681 174.427 176.000 0.179 0.000 1.006 112 Q CA -0.842 55.035 55.803 0.123 0.000 0.880 112 Q CB 2.107 30.932 28.738 0.146 0.000 1.392 112 Q HN 0.493 nan 8.270 nan 0.000 0.401 113 H N 1.835 120.957 119.070 0.087 0.000 3.037 113 H HA 0.763 5.318 4.556 -0.001 0.000 0.355 113 H C -2.119 173.259 175.328 0.084 0.000 1.263 113 H CA -0.657 55.436 56.048 0.076 0.000 1.129 113 H CB 2.386 32.176 29.762 0.046 0.000 1.861 113 H HN 0.728 nan 8.280 nan 0.000 0.546 114 L N 3.102 124.346 121.223 0.036 0.000 2.611 114 L HA 0.194 4.533 4.340 -0.001 0.000 0.260 114 L C -1.209 175.634 176.870 -0.045 0.000 0.924 114 L CA -0.583 54.318 54.840 0.102 0.000 0.901 114 L CB 1.537 43.663 42.059 0.111 0.000 1.369 114 L HN 0.701 nan 8.230 nan 0.000 0.415 115 D N 2.963 123.393 120.400 0.050 0.000 2.772 115 D HA -0.124 4.515 4.640 -0.001 0.000 0.227 115 D C 0.954 177.118 176.300 -0.226 0.000 1.114 115 D CA 1.221 55.206 54.000 -0.025 0.000 0.832 115 D CB 0.964 41.782 40.800 0.030 0.000 1.154 115 D HN 0.710 nan 8.370 nan 0.000 0.514 116 E N 3.127 123.123 120.200 -0.340 0.000 2.502 116 E HA -0.059 4.291 4.350 -0.001 0.000 0.194 116 E C 1.171 177.674 176.600 -0.162 0.000 1.062 116 E CA 0.193 56.217 56.400 -0.627 0.000 0.867 116 E CB 0.115 29.521 29.700 -0.490 0.000 0.888 116 E HN 0.418 nan 8.360 nan 0.000 0.510 117 R N 0.836 121.298 120.500 -0.064 0.000 2.362 117 R HA 0.155 4.495 4.340 -0.001 0.000 0.227 117 R C 0.493 176.816 176.300 0.040 0.000 0.905 117 R CA -0.060 56.049 56.100 0.014 0.000 1.067 117 R CB 0.557 30.863 30.300 0.009 0.000 1.078 117 R HN 0.006 nan 8.270 nan 0.000 0.516 118 S N 0.784 116.509 115.700 0.041 0.000 2.558 118 S HA -0.018 4.451 4.470 -0.001 0.000 0.293 118 S C 1.588 176.237 174.600 0.081 0.000 1.292 118 S CA -0.291 57.947 58.200 0.063 0.000 1.063 118 S CB 0.512 63.756 63.200 0.075 0.000 0.831 118 S HN 0.216 nan 8.310 nan 0.000 0.499 119 L N 4.787 126.049 121.223 0.065 0.000 2.079 119 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 119 L C 2.202 179.101 176.870 0.049 0.000 1.081 119 L CA 1.276 56.166 54.840 0.084 0.000 0.752 119 L CB -0.484 41.645 42.059 0.116 0.000 0.896 119 L HN 0.713 nan 8.230 nan 0.000 0.433 120 L N -1.322 119.913 121.223 0.021 0.000 2.201 120 L HA -0.231 4.108 4.340 -0.001 0.000 0.212 120 L C 2.655 179.470 176.870 -0.092 0.000 1.105 120 L CA 0.962 55.758 54.840 -0.074 0.000 0.775 120 L CB -0.765 41.266 42.059 -0.046 0.000 0.913 120 L HN 0.398 nan 8.230 nan 0.000 0.440 121 H N 0.278 119.290 119.070 -0.098 0.000 2.403 121 H HA -0.115 4.440 4.556 -0.001 0.000 0.298 121 H C 1.347 176.602 175.328 -0.123 0.000 1.059 121 H CA 1.364 57.343 56.048 -0.116 0.000 1.363 121 H CB 0.423 30.146 29.762 -0.065 0.000 1.410 121 H HN 0.328 nan 8.280 nan 0.000 0.528 122 D N 0.741 121.120 120.400 -0.035 0.000 2.224 122 D HA -0.126 4.514 4.640 -0.001 0.000 0.205 122 D C 2.289 178.531 176.300 -0.096 0.000 0.965 122 D CA 0.932 54.899 54.000 -0.055 0.000 0.852 122 D CB -0.238 40.584 40.800 0.037 0.000 0.947 122 D HN 0.596 nan 8.370 nan 0.000 0.494 123 M N -0.500 119.038 119.600 -0.104 0.000 2.562 123 M HA 0.071 4.550 4.480 -0.001 0.000 0.257 123 M C 0.387 176.593 176.300 -0.155 0.000 1.099 123 M CA 0.358 55.606 55.300 -0.086 0.000 1.099 123 M CB -0.096 32.417 32.600 -0.145 0.000 1.427 123 M HN -0.223 nan 8.290 nan 0.000 0.489 124 L N 2.539 123.545 121.223 -0.362 0.000 2.506 124 L HA 0.175 4.514 4.340 -0.001 0.000 0.281 124 L C -1.935 174.629 176.870 -0.510 0.000 1.228 124 L CA -1.729 52.755 54.840 -0.593 0.000 0.850 124 L CB -0.558 40.975 42.059 -0.878 0.000 1.110 124 L HN 0.020 nan 8.230 nan 0.000 0.496 125 P HA -0.040 nan 4.420 nan 0.000 0.267 125 P C 0.878 177.774 177.300 -0.675 0.000 1.201 125 P CA 0.082 62.732 63.100 -0.750 0.000 0.775 125 P CB 0.602 31.484 31.700 -1.364 0.000 0.854 126 I N 1.879 122.184 120.570 -0.442 0.000 2.423 126 I HA -0.177 3.993 4.170 -0.001 0.000 0.254 126 I C 1.288 177.273 176.117 -0.220 0.000 1.151 126 I CA 1.206 62.354 61.300 -0.253 0.000 1.421 126 I CB -0.170 37.761 38.000 -0.114 0.000 1.079 126 I HN 0.509 nan 8.210 nan 0.000 0.431 127 W N -0.968 120.220 121.300 -0.187 0.000 3.077 127 W HA -0.007 4.652 4.660 -0.001 0.000 0.266 127 W C 1.821 178.119 176.519 -0.369 0.000 1.300 127 W CA -0.373 56.750 57.345 -0.371 0.000 1.586 127 W CB -1.304 27.734 29.460 -0.703 0.000 1.103 127 W HN 0.070 nan 8.180 nan 0.000 0.652 128 F N 3.446 122.931 119.950 -0.775 0.000 2.026 128 F HA -0.239 4.288 4.527 -0.001 0.000 0.296 128 F C 2.569 178.167 175.800 -0.338 0.000 1.133 128 F CA 3.492 61.082 58.000 -0.684 0.000 1.188 128 F CB -0.622 37.845 39.000 -0.889 0.000 0.968 128 F HN -0.279 nan 8.300 nan 0.000 0.476 129 T N 0.440 114.947 114.554 -0.078 0.000 2.708 129 T HA -0.182 4.168 4.350 -0.001 0.000 0.266 129 T C 2.140 176.743 174.700 -0.163 0.000 1.037 129 T CA 1.418 63.455 62.100 -0.105 0.000 1.146 129 T CB -0.930 67.919 68.868 -0.032 0.000 0.865 129 T HN 0.377 nan 8.240 nan 0.000 0.435 130 A N 2.155 124.899 122.820 -0.127 0.000 1.883 130 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 130 A C 2.255 179.753 177.584 -0.143 0.000 1.186 130 A CA 1.932 53.904 52.037 -0.109 0.000 0.624 130 A CB -0.943 18.006 19.000 -0.085 0.000 0.822 130 A HN 0.603 nan 8.150 nan 0.000 0.444 131 N N -0.145 118.443 118.700 -0.187 0.000 2.120 131 N HA -0.124 4.616 4.740 -0.001 0.000 0.188 131 N C 1.858 177.201 175.510 -0.279 0.000 1.024 131 N CA 1.360 54.284 53.050 -0.210 0.000 0.852 131 N CB -0.191 38.138 38.487 -0.263 0.000 1.003 131 N HN 0.513 nan 8.380 nan 0.000 0.424 132 L N 1.129 122.092 121.223 -0.434 0.000 2.013 132 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 132 L C 1.657 178.211 176.870 -0.526 0.000 1.073 132 L CA 1.484 55.905 54.840 -0.698 0.000 0.753 132 L CB -0.480 40.948 42.059 -1.051 0.000 0.890 132 L HN 0.164 nan 8.230 nan 0.000 0.432 133 D N -1.339 118.886 120.400 -0.291 0.000 2.310 133 D HA -0.145 4.494 4.640 -0.001 0.000 0.212 133 D C 2.030 178.324 176.300 -0.010 0.000 0.965 133 D CA 0.988 54.965 54.000 -0.039 0.000 0.879 133 D CB -0.119 40.676 40.800 -0.008 0.000 0.921 133 D HN 0.231 nan 8.370 nan 0.000 0.510 134 T N 0.509 115.025 114.554 -0.063 0.000 2.881 134 T HA -0.020 4.329 4.350 -0.001 0.000 0.270 134 T C 0.961 175.662 174.700 0.001 0.000 1.068 134 T CA 0.321 62.404 62.100 -0.028 0.000 1.131 134 T CB -0.021 68.823 68.868 -0.040 0.000 0.871 134 T HN 0.106 nan 8.240 nan 0.000 0.479 135 L N 2.932 124.150 121.223 -0.009 0.000 2.315 135 L HA 0.210 4.549 4.340 -0.001 0.000 0.283 135 L C 1.810 178.732 176.870 0.086 0.000 1.089 135 L CA -0.745 54.112 54.840 0.029 0.000 0.833 135 L CB 0.971 43.009 42.059 -0.034 0.000 1.170 135 L HN 0.204 nan 8.230 nan 0.000 0.442 136 M N 0.804 120.449 119.600 0.075 0.000 2.202 136 M HA -0.131 4.349 4.480 -0.001 0.000 0.262 136 M C 2.013 178.343 176.300 0.050 0.000 1.063 136 M CA 2.127 57.463 55.300 0.060 0.000 1.097 136 M CB -1.917 30.713 32.600 0.050 0.000 1.382 136 M HN 0.740 nan 8.290 nan 0.000 0.413 137 T N -1.625 112.967 114.554 0.062 0.000 2.821 137 T HA -0.199 4.150 4.350 -0.001 0.000 0.267 137 T C 1.903 176.612 174.700 0.015 0.000 1.046 137 T CA 1.310 63.427 62.100 0.027 0.000 1.139 137 T CB -1.043 67.836 68.868 0.019 0.000 0.871 137 T HN 0.445 nan 8.240 nan 0.000 0.454 138 Y N 1.931 122.182 120.300 -0.082 0.000 2.200 138 Y HA 0.007 4.557 4.550 -0.001 0.000 0.290 138 Y C 2.353 178.226 175.900 -0.046 0.000 1.137 138 Y CA 0.912 58.961 58.100 -0.085 0.000 1.163 138 Y CB -0.436 37.953 38.460 -0.117 0.000 0.988 138 Y HN 0.067 nan 8.280 nan 0.000 0.518 139 V N -0.121 119.775 119.914 -0.031 0.000 2.379 139 V HA -0.212 3.908 4.120 -0.001 0.000 0.245 139 V C 1.376 177.399 176.094 -0.118 0.000 1.044 139 V CA 2.240 64.501 62.300 -0.065 0.000 1.036 139 V CB -0.303 31.550 31.823 0.050 0.000 0.664 139 V HN 0.457 nan 8.190 nan 0.000 0.453 140 Q N -1.215 118.538 119.800 -0.079 0.000 2.063 140 Q HA 0.166 4.506 4.340 -0.001 0.000 0.258 140 Q C -0.758 175.210 176.000 -0.054 0.000 0.855 140 Q CA 0.008 55.772 55.803 -0.065 0.000 1.057 140 Q CB 0.689 29.405 28.738 -0.037 0.000 1.267 140 Q HN 0.447 nan 8.270 nan 0.000 0.419 141 D N 0.653 121.012 120.400 -0.069 0.000 2.945 141 D HA 0.134 4.774 4.640 -0.001 0.000 0.340 141 D C -0.903 175.354 176.300 -0.072 0.000 1.240 141 D CA -0.007 53.960 54.000 -0.055 0.000 0.749 141 D CB 0.523 41.298 40.800 -0.041 0.000 1.217 141 D HN 0.184 nan 8.370 nan 0.000 0.514 142 Q N 0.778 120.530 119.800 -0.080 0.000 2.259 142 Q HA 0.479 4.819 4.340 -0.001 0.000 0.249 142 Q C -0.394 175.574 176.000 -0.053 0.000 0.914 142 Q CA -0.457 55.296 55.803 -0.083 0.000 0.904 142 Q CB 1.743 30.429 28.738 -0.086 0.000 1.213 142 Q HN 0.177 nan 8.270 nan 0.000 0.428 143 N N 0.915 119.540 118.700 -0.124 0.000 2.516 143 N HA -0.022 4.718 4.740 -0.001 0.000 0.268 143 N C -0.308 175.053 175.510 -0.248 0.000 1.096 143 N CA -0.135 52.834 53.050 -0.135 0.000 0.954 143 N CB 1.752 40.208 38.487 -0.053 0.000 1.676 143 N HN 0.723 nan 8.380 nan 0.000 0.490 144 E N 0.736 120.719 120.200 -0.362 0.000 2.209 144 E HA -0.178 4.172 4.350 -0.001 0.000 0.196 144 E C -0.272 176.218 176.600 -0.184 0.000 0.993 144 E CA 0.891 57.085 56.400 -0.343 0.000 0.819 144 E CB 0.156 29.656 29.700 -0.333 0.000 0.745 144 E HN 0.406 nan 8.360 nan 0.000 0.477 145 D N -0.153 120.185 120.400 -0.104 0.000 2.416 145 D HA -0.030 4.610 4.640 -0.001 0.000 0.240 145 D C -0.152 176.204 176.300 0.093 0.000 1.250 145 D CA -0.132 53.851 54.000 -0.029 0.000 0.967 145 D CB 0.133 40.940 40.800 0.013 0.000 1.059 145 D HN 0.218 nan 8.370 nan 0.000 0.512 146 c N 2.765 121.389 118.600 0.041 0.000 3.722 146 c HA 0.361 4.931 4.570 -0.001 0.000 0.279 146 c C 0.634 174.756 174.090 0.052 0.000 1.819 146 c CA -0.689 55.731 56.329 0.152 0.000 1.744 146 c CB -1.267 41.252 42.510 0.015 0.000 3.247 146 c HN 0.448 nan 8.230 nan 0.000 0.549 147 L N 2.532 123.523 121.223 -0.386 0.000 2.384 147 L HA 0.394 4.733 4.340 -0.001 0.000 0.258 147 L C -0.890 175.321 176.870 -1.098 0.000 1.266 147 L CA 0.472 54.873 54.840 -0.733 0.000 1.162 147 L CB -0.729 40.753 42.059 -0.963 0.000 1.375 147 L HN 0.395 nan 8.230 nan 0.000 0.420 148 Y N 1.852 122.097 120.300 -0.092 0.000 2.536 148 Y HA 0.666 5.216 4.550 -0.001 0.000 0.347 148 Y C -0.063 175.972 175.900 0.225 0.000 1.000 148 Y CA -1.298 56.826 58.100 0.039 0.000 1.051 148 Y CB 1.957 40.411 38.460 -0.010 0.000 1.259 148 Y HN 0.183 nan 8.280 nan 0.000 0.468 149 L N -0.150 121.233 121.223 0.266 0.000 2.309 149 L HA 0.763 5.102 4.340 -0.001 0.000 0.261 149 L C -1.301 175.639 176.870 0.116 0.000 1.021 149 L CA -1.268 53.657 54.840 0.142 0.000 0.823 149 L CB 1.703 43.741 42.059 -0.035 0.000 1.366 149 L HN 0.463 nan 8.230 nan 0.000 0.423 150 N N 1.417 120.196 118.700 0.133 0.000 2.296 150 N HA 0.665 5.404 4.740 -0.001 0.000 0.294 150 N C -1.333 174.188 175.510 0.019 0.000 1.033 150 N CA -0.164 52.942 53.050 0.095 0.000 0.839 150 N CB 2.629 41.260 38.487 0.241 0.000 1.395 150 N HN 0.650 nan 8.380 nan 0.000 0.479 151 I N 1.933 122.428 120.570 -0.125 0.000 2.433 151 I HA 0.347 4.516 4.170 -0.001 0.000 0.292 151 I C -1.042 174.956 176.117 -0.198 0.000 1.001 151 I CA -0.796 60.470 61.300 -0.056 0.000 1.119 151 I CB 1.114 39.052 38.000 -0.102 0.000 1.289 151 I HN 0.331 nan 8.210 nan 0.000 0.438 152 Y N 5.145 125.557 120.300 0.188 0.000 2.345 152 Y HA 0.501 5.050 4.550 -0.001 0.000 0.331 152 Y C -0.271 175.740 175.900 0.185 0.000 0.959 152 Y CA -0.952 57.251 58.100 0.172 0.000 1.204 152 Y CB 1.669 40.211 38.460 0.137 0.000 1.135 152 Y HN 0.171 nan 8.280 nan 0.000 0.477 153 V N 5.752 125.851 119.914 0.308 0.000 2.384 153 V HA 0.410 4.530 4.120 -0.001 0.000 0.287 153 V C -2.342 173.879 176.094 0.212 0.000 1.020 153 V CA -2.607 59.860 62.300 0.279 0.000 0.850 153 V CB 1.558 33.600 31.823 0.365 0.000 0.987 153 V HN 0.511 nan 8.190 nan 0.000 0.436 154 P HA 0.136 nan 4.420 nan 0.000 0.268 154 P C 0.955 178.319 177.300 0.106 0.000 1.205 154 P CA 0.007 63.179 63.100 0.121 0.000 0.771 154 P CB 0.541 32.298 31.700 0.095 0.000 0.858 155 T N -1.338 113.263 114.554 0.079 0.000 3.081 155 T HA -0.010 4.340 4.350 -0.001 0.000 0.255 155 T C 0.633 175.360 174.700 0.046 0.000 1.113 155 T CA -0.022 62.115 62.100 0.062 0.000 1.082 155 T CB -0.543 68.350 68.868 0.041 0.000 0.939 155 T HN 0.408 nan 8.240 nan 0.000 0.506 156 E N 1.790 122.013 120.200 0.039 0.000 2.568 156 E HA -0.051 4.299 4.350 -0.001 0.000 0.262 156 E C -0.888 175.728 176.600 0.028 0.000 0.961 156 E CA 0.049 56.464 56.400 0.024 0.000 0.945 156 E CB 0.249 29.957 29.700 0.015 0.000 0.924 156 E HN 0.260 nan 8.360 nan 0.000 0.467 157 D N 3.928 124.339 120.400 0.018 0.000 2.274 157 D HA 0.145 4.785 4.640 -0.001 0.000 0.239 157 D C -1.078 175.229 176.300 0.013 0.000 1.104 157 D CA -0.293 53.718 54.000 0.018 0.000 0.840 157 D CB 1.081 41.888 40.800 0.013 0.000 1.100 157 D HN 0.320 nan 8.370 nan 0.000 0.477 158 D N 3.371 123.781 120.400 0.016 0.000 2.524 158 D HA 0.204 4.844 4.640 -0.001 0.000 0.222 158 D C 0.659 176.964 176.300 0.009 0.000 1.142 158 D CA -0.211 53.796 54.000 0.011 0.000 0.973 158 D CB 0.314 41.123 40.800 0.015 0.000 1.025 158 D HN 0.425 nan 8.370 nan 0.000 0.519 165 K N 2.333 122.751 120.400 0.031 0.000 2.159 165 K HA 0.491 4.810 4.320 -0.001 0.000 0.266 165 K C -0.588 176.040 176.600 0.046 0.000 0.975 165 K CA -0.646 55.667 56.287 0.043 0.000 0.865 165 K CB 1.186 33.711 32.500 0.042 0.000 1.087 165 K HN 0.516 nan 8.250 nan 0.000 0.446 166 K N 2.705 123.143 120.400 0.062 0.000 2.185 166 K HA 0.256 4.575 4.320 -0.001 0.000 0.271 166 K C -2.257 174.380 176.600 0.063 0.000 1.013 166 K CA -1.692 54.632 56.287 0.062 0.000 0.943 166 K CB 0.269 32.818 32.500 0.081 0.000 0.998 166 K HN 0.266 nan 8.250 nan 0.000 0.468 167 P HA -0.005 nan 4.420 nan 0.000 0.269 167 P C -0.921 176.424 177.300 0.075 0.000 1.215 167 P CA -0.264 62.865 63.100 0.047 0.000 0.780 167 P CB 0.545 32.257 31.700 0.020 0.000 0.898 168 V N 3.307 123.272 119.914 0.086 0.000 2.487 168 V HA 0.420 4.539 4.120 -0.001 0.000 0.298 168 V C 0.116 176.290 176.094 0.133 0.000 1.028 168 V CA -0.367 62.007 62.300 0.122 0.000 0.860 168 V CB 1.417 33.319 31.823 0.133 0.000 0.991 168 V HN 0.441 nan 8.190 nan 0.000 0.427 169 M N 4.809 124.514 119.600 0.176 0.000 2.114 169 M HA 0.543 5.022 4.480 -0.001 0.000 0.332 169 M C -1.111 175.478 176.300 0.482 0.000 1.014 169 M CA -0.651 54.791 55.300 0.237 0.000 0.956 169 M CB 1.951 34.572 32.600 0.035 0.000 1.551 169 M HN 0.370 nan 8.290 nan 0.000 0.427 170 V N 3.759 123.966 119.914 0.488 0.000 2.328 170 V HA 0.279 4.398 4.120 -0.001 0.000 0.278 170 V C -0.970 175.349 176.094 0.375 0.000 1.021 170 V CA -0.711 61.816 62.300 0.380 0.000 0.838 170 V CB 0.771 32.707 31.823 0.188 0.000 0.999 170 V HN 0.624 nan 8.190 nan 0.000 0.447 171 Y N 5.812 126.163 120.300 0.085 0.000 2.327 171 Y HA 0.602 5.151 4.550 -0.001 0.000 0.336 171 Y C 0.030 175.877 175.900 -0.088 0.000 1.035 171 Y CA -0.925 57.000 58.100 -0.291 0.000 1.165 171 Y CB 1.140 39.394 38.460 -0.343 0.000 1.181 171 Y HN 0.546 nan 8.280 nan 0.000 0.494 172 I N 7.560 127.710 120.570 -0.700 0.000 2.359 172 I HA 0.161 4.330 4.170 -0.001 0.000 0.284 172 I C -0.458 175.239 176.117 -0.699 0.000 1.018 172 I CA -0.912 60.089 61.300 -0.499 0.000 1.173 172 I CB 0.464 38.227 38.000 -0.395 0.000 1.326 172 I HN 0.708 nan 8.210 nan 0.000 0.462 173 H N 4.248 123.183 119.070 -0.225 0.000 2.771 173 H HA 0.543 5.099 4.556 -0.001 0.000 0.364 173 H C 0.503 175.902 175.328 0.117 0.000 1.133 173 H CA -0.376 55.660 56.048 -0.019 0.000 1.423 173 H CB 0.586 30.464 29.762 0.193 0.000 1.425 173 H HN 0.569 nan 8.280 nan 0.000 0.606 174 G N -0.556 108.422 108.800 0.296 0.000 2.509 174 G HA2 0.446 4.405 3.960 -0.001 0.000 0.269 174 G HA3 0.446 4.405 3.960 -0.001 0.000 0.269 174 G C 0.502 175.610 174.900 0.347 0.000 1.416 174 G CA -0.938 44.270 45.100 0.180 0.000 1.052 174 G HN 1.569 nan 8.290 nan 0.000 0.542 175 G N -2.565 106.191 108.800 -0.073 0.000 2.157 175 G HA2 0.154 4.114 3.960 -0.001 0.000 0.114 175 G HA3 0.154 4.114 3.960 -0.001 0.000 0.114 175 G C 0.525 175.306 174.900 -0.198 0.000 1.041 175 G CA 0.483 45.444 45.100 -0.233 0.000 0.714 175 G HN 1.740 nan 8.290 nan 0.000 0.492 176 S N -1.689 113.815 115.700 -0.327 0.000 3.521 176 S HA -0.326 4.143 4.470 -0.001 0.000 0.328 176 S C 1.145 175.628 174.600 -0.195 0.000 1.165 176 S CA 1.713 59.693 58.200 -0.366 0.000 0.941 176 S CB -1.747 61.300 63.200 -0.255 0.000 0.951 176 S HN 1.904 nan 8.310 nan 0.000 0.539 177 Y N -4.059 116.247 120.300 0.009 0.000 4.929 177 Y HA -0.342 4.207 4.550 -0.001 0.000 0.253 177 Y C 1.480 177.498 175.900 0.198 0.000 0.946 177 Y CA 1.377 59.517 58.100 0.067 0.000 1.905 177 Y CB -1.871 36.444 38.460 -0.243 0.000 1.400 177 Y HN 0.505 nan 8.280 nan 0.000 0.531 178 M N -0.721 119.036 119.600 0.262 0.000 2.571 178 M HA 0.249 4.728 4.480 -0.001 0.000 0.259 178 M C 0.494 176.924 176.300 0.217 0.000 1.205 178 M CA 1.000 56.443 55.300 0.238 0.000 1.138 178 M CB 0.330 33.038 32.600 0.180 0.000 1.329 178 M HN 0.247 nan 8.290 nan 0.000 0.503 179 E N -0.643 119.693 120.200 0.227 0.000 2.445 179 E HA 0.662 5.012 4.350 -0.001 0.000 0.273 179 E C -0.398 176.419 176.600 0.362 0.000 0.961 179 E CA -0.671 55.893 56.400 0.274 0.000 0.807 179 E CB 2.356 32.244 29.700 0.314 0.000 1.362 179 E HN 0.194 nan 8.360 nan 0.000 0.453 180 G N -0.045 108.875 108.800 0.200 0.000 2.541 180 G HA2 0.154 4.114 3.960 -0.001 0.000 0.686 180 G HA3 0.154 4.114 3.960 -0.001 0.000 0.686 180 G C -0.815 173.701 174.900 -0.640 0.000 1.286 180 G CA -0.316 44.660 45.100 -0.207 0.000 0.894 180 G HN 0.643 nan 8.290 nan 0.000 0.575 181 T N -1.644 112.312 114.554 -0.997 0.000 2.942 181 T HA 0.651 5.000 4.350 -0.001 0.000 0.327 181 T C 1.456 175.826 174.700 -0.549 0.000 1.360 181 T CA 0.803 62.470 62.100 -0.721 0.000 1.055 181 T CB 1.032 69.695 68.868 -0.342 0.000 1.261 181 T HN 2.118 nan 8.240 nan 0.000 0.485 182 G N 2.404 111.108 108.800 -0.159 0.000 2.432 182 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.219 182 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.219 182 G C 1.187 175.996 174.900 -0.152 0.000 1.135 182 G CA 0.721 45.834 45.100 0.021 0.000 0.767 182 G HN 0.752 nan 8.290 nan 0.000 0.550 183 N N 0.400 118.883 118.700 -0.362 0.000 2.334 183 N HA -0.078 4.662 4.740 -0.001 0.000 0.187 183 N C 1.992 177.110 175.510 -0.654 0.000 1.016 183 N CA 0.734 53.266 53.050 -0.864 0.000 0.879 183 N CB -0.294 37.478 38.487 -1.192 0.000 0.965 183 N HN 0.340 nan 8.380 nan 0.000 0.438 184 M N -0.250 119.097 119.600 -0.422 0.000 2.394 184 M HA 0.009 4.489 4.480 -0.001 0.000 0.264 184 M C -0.235 175.906 176.300 -0.266 0.000 1.073 184 M CA 0.704 55.806 55.300 -0.329 0.000 1.111 184 M CB 0.328 32.721 32.600 -0.346 0.000 1.401 184 M HN -0.088 nan 8.290 nan 0.000 0.448 185 I N 0.902 121.281 120.570 -0.318 0.000 2.328 185 I HA 0.149 4.318 4.170 -0.001 0.000 0.287 185 I C -0.435 175.435 176.117 -0.413 0.000 1.012 185 I CA -0.712 60.279 61.300 -0.515 0.000 1.195 185 I CB 0.756 38.249 38.000 -0.845 0.000 1.350 185 I HN -0.117 nan 8.210 nan 0.000 0.464 186 D N 5.312 125.482 120.400 -0.382 0.000 2.352 186 D HA 0.204 4.843 4.640 -0.001 0.000 0.245 186 D C 1.186 177.115 176.300 -0.619 0.000 1.224 186 D CA -0.064 53.725 54.000 -0.352 0.000 0.879 186 D CB 1.339 42.033 40.800 -0.175 0.000 1.057 186 D HN 0.738 nan 8.370 nan 0.000 0.491 187 G N 2.487 110.615 108.800 -1.120 0.000 3.124 187 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.212 187 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.212 187 G C 1.403 175.950 174.900 -0.587 0.000 1.181 187 G CA -0.111 44.528 45.100 -0.768 0.000 0.803 187 G HN 0.446 nan 8.290 nan 0.000 0.529 188 S N 0.529 115.884 115.700 -0.575 0.000 2.356 188 S HA -0.078 4.391 4.470 -0.001 0.000 0.223 188 S C 2.218 176.794 174.600 -0.040 0.000 1.032 188 S CA 0.670 58.799 58.200 -0.118 0.000 1.005 188 S CB -0.148 63.046 63.200 -0.010 0.000 0.867 188 S HN 0.429 nan 8.310 nan 0.000 0.449 189 I N 0.868 121.389 120.570 -0.082 0.000 2.252 189 I HA -0.139 4.030 4.170 -0.001 0.000 0.245 189 I C 2.297 178.420 176.117 0.010 0.000 1.102 189 I CA 0.685 61.959 61.300 -0.044 0.000 1.385 189 I CB -0.283 37.648 38.000 -0.114 0.000 1.064 189 I HN 0.235 nan 8.210 nan 0.000 0.414 190 L N 1.336 122.560 121.223 0.002 0.000 2.046 190 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 190 L C 2.552 179.482 176.870 0.100 0.000 1.077 190 L CA 2.188 57.053 54.840 0.042 0.000 0.747 190 L CB -0.857 41.233 42.059 0.052 0.000 0.896 190 L HN 0.183 nan 8.230 nan 0.000 0.432 191 A N -1.583 121.296 122.820 0.100 0.000 1.858 191 A HA -0.234 4.086 4.320 -0.001 0.000 0.216 191 A C 2.529 180.179 177.584 0.109 0.000 1.190 191 A CA 2.092 54.206 52.037 0.129 0.000 0.617 191 A CB -1.271 17.838 19.000 0.183 0.000 0.827 191 A HN 0.529 nan 8.150 nan 0.000 0.443 192 S N -2.158 113.601 115.700 0.099 0.000 2.356 192 S HA -0.188 4.282 4.470 -0.001 0.000 0.223 192 S C 1.924 176.568 174.600 0.074 0.000 1.032 192 S CA 1.641 59.889 58.200 0.079 0.000 1.005 192 S CB -0.535 62.706 63.200 0.068 0.000 0.867 192 S HN 0.633 nan 8.310 nan 0.000 0.449 193 Y N 1.445 121.734 120.300 -0.018 0.000 2.181 193 Y HA 0.070 4.619 4.550 -0.001 0.000 0.288 193 Y C 2.206 178.094 175.900 -0.019 0.000 1.146 193 Y CA 1.672 59.753 58.100 -0.031 0.000 1.164 193 Y CB -0.689 37.736 38.460 -0.058 0.000 0.982 193 Y HN 0.323 nan 8.280 nan 0.000 0.515 194 G N -0.952 107.897 108.800 0.081 0.000 2.939 194 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.210 194 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.210 194 G C 0.290 175.182 174.900 -0.013 0.000 1.160 194 G CA 0.421 45.531 45.100 0.018 0.000 0.770 194 G HN 0.435 nan 8.290 nan 0.000 0.543 195 N N -0.783 117.918 118.700 0.001 0.000 2.727 195 N HA -0.185 4.555 4.740 -0.001 0.000 0.249 195 N C -0.113 175.423 175.510 0.044 0.000 1.048 195 N CA 0.921 53.981 53.050 0.018 0.000 0.714 195 N CB -1.528 36.951 38.487 -0.013 0.000 0.959 195 N HN 0.713 nan 8.380 nan 0.000 0.544 196 V N -1.936 118.020 119.914 0.070 0.000 2.864 196 V HA 0.674 4.794 4.120 -0.001 0.000 0.314 196 V C 0.882 177.054 176.094 0.130 0.000 1.073 196 V CA -1.230 61.123 62.300 0.087 0.000 0.956 196 V CB 1.955 33.822 31.823 0.073 0.000 1.023 196 V HN 0.116 nan 8.190 nan 0.000 0.435 197 I N 2.950 123.606 120.570 0.144 0.000 2.496 197 I HA 0.346 4.515 4.170 -0.001 0.000 0.285 197 I C -0.317 175.931 176.117 0.219 0.000 1.080 197 I CA -0.134 61.277 61.300 0.186 0.000 1.404 197 I CB 1.389 39.488 38.000 0.164 0.000 1.403 197 I HN 0.445 nan 8.210 nan 0.000 0.539 198 V N 7.940 128.030 119.914 0.293 0.000 2.495 198 V HA 0.480 4.600 4.120 -0.001 0.000 0.298 198 V C -0.013 176.336 176.094 0.425 0.000 1.031 198 V CA -0.494 62.024 62.300 0.363 0.000 0.871 198 V CB 1.818 33.845 31.823 0.340 0.000 0.988 198 V HN 0.458 nan 8.190 nan 0.000 0.432 199 I N 4.149 124.946 120.570 0.378 0.000 2.465 199 I HA 0.522 4.692 4.170 -0.001 0.000 0.291 199 I C 0.091 176.402 176.117 0.323 0.000 1.014 199 I CA -0.387 61.099 61.300 0.310 0.000 1.093 199 I CB 2.467 40.581 38.000 0.189 0.000 1.267 199 I HN 0.700 nan 8.210 nan 0.000 0.431 200 T N 4.655 119.398 114.554 0.316 0.000 2.855 200 T HA 0.808 5.158 4.350 -0.001 0.000 0.281 200 T C -0.471 174.356 174.700 0.212 0.000 1.007 200 T CA -0.682 61.586 62.100 0.280 0.000 1.009 200 T CB 1.895 70.924 68.868 0.268 0.000 0.983 200 T HN 0.534 nan 8.240 nan 0.000 0.455 201 I N -0.230 120.465 120.570 0.208 0.000 2.740 201 I HA 0.740 4.910 4.170 -0.001 0.000 0.303 201 I C -1.173 175.128 176.117 0.306 0.000 1.044 201 I CA -1.291 60.123 61.300 0.191 0.000 1.064 201 I CB 2.062 40.094 38.000 0.053 0.000 1.249 201 I HN 0.507 nan 8.210 nan 0.000 0.433 202 N N 3.351 122.240 118.700 0.316 0.000 2.430 202 N HA 0.614 5.354 4.740 -0.001 0.000 0.292 202 N C -1.550 174.181 175.510 0.368 0.000 1.051 202 N CA -0.402 52.810 53.050 0.270 0.000 0.917 202 N CB 1.376 39.972 38.487 0.182 0.000 1.164 202 N HN 0.663 nan 8.380 nan 0.000 0.484 203 Y N -1.583 118.861 120.300 0.239 0.000 2.576 203 Y HA 0.591 5.141 4.550 -0.001 0.000 0.346 203 Y C -0.134 175.845 175.900 0.132 0.000 1.018 203 Y CA -1.491 56.717 58.100 0.181 0.000 1.050 203 Y CB 0.910 39.447 38.460 0.129 0.000 1.280 203 Y HN 0.171 nan 8.280 nan 0.000 0.474 204 R N 1.823 122.434 120.500 0.185 0.000 2.623 204 R HA 0.410 4.749 4.340 -0.001 0.000 0.271 204 R C -1.016 175.367 176.300 0.138 0.000 1.043 204 R CA -0.050 56.084 56.100 0.056 0.000 1.083 204 R CB 0.311 30.601 30.300 -0.017 0.000 0.974 204 R HN 0.683 nan 8.270 nan 0.000 0.436 205 L N 1.420 122.717 121.223 0.124 0.000 2.333 205 L HA 0.477 4.816 4.340 -0.001 0.000 0.269 205 L C 1.122 178.177 176.870 0.308 0.000 1.010 205 L CA -0.353 54.658 54.840 0.285 0.000 0.818 205 L CB 1.878 44.038 42.059 0.169 0.000 1.306 205 L HN 0.933 nan 8.230 nan 0.000 0.430 206 G N 1.311 110.395 108.800 0.474 0.000 2.583 206 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.292 206 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.292 206 G C 0.791 175.841 174.900 0.250 0.000 1.203 206 G CA 0.508 45.810 45.100 0.337 0.000 0.987 206 G HN 0.617 nan 8.290 nan 0.000 0.554 207 I N 0.823 121.335 120.570 -0.098 0.000 2.163 207 I HA -0.175 3.994 4.170 -0.001 0.000 0.243 207 I C 2.891 179.118 176.117 0.183 0.000 1.085 207 I CA 1.869 63.011 61.300 -0.263 0.000 1.347 207 I CB -0.450 37.312 38.000 -0.398 0.000 1.044 207 I HN 0.396 nan 8.210 nan 0.000 0.408 208 L N 0.163 121.475 121.223 0.147 0.000 2.131 208 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 208 L C 2.469 179.413 176.870 0.122 0.000 1.092 208 L CA 1.395 56.294 54.840 0.100 0.000 0.759 208 L CB -0.898 41.102 42.059 -0.098 0.000 0.903 208 L HN 0.348 nan 8.230 nan 0.000 0.435 209 G N -1.575 107.283 108.800 0.096 0.000 2.603 209 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.214 209 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.214 209 G C 0.873 175.469 174.900 -0.507 0.000 1.140 209 G CA 0.118 45.093 45.100 -0.208 0.000 0.800 209 G HN 0.331 nan 8.290 nan 0.000 0.533 210 F N -0.929 119.226 119.950 0.342 0.000 2.974 210 F HA 0.399 4.926 4.527 -0.001 0.000 0.357 210 F C 0.388 176.351 175.800 0.272 0.000 1.114 210 F CA -1.063 57.065 58.000 0.213 0.000 1.099 210 F CB 0.188 39.260 39.000 0.119 0.000 1.205 210 F HN -0.086 nan 8.300 nan 0.000 0.535 211 L N 1.445 122.946 121.223 0.464 0.000 2.525 211 L HA 0.336 4.676 4.340 -0.001 0.000 0.278 211 L C 0.327 177.321 176.870 0.206 0.000 1.218 211 L CA 0.767 55.809 54.840 0.337 0.000 0.878 211 L CB 0.623 42.655 42.059 -0.045 0.000 1.127 211 L HN 0.133 nan 8.230 nan 0.000 0.492 212 S N 1.395 117.182 115.700 0.145 0.000 2.536 212 S HA 0.397 4.867 4.470 -0.001 0.000 0.271 212 S C 0.462 175.082 174.600 0.034 0.000 1.134 212 S CA -0.085 58.151 58.200 0.059 0.000 0.897 212 S CB 1.631 64.844 63.200 0.023 0.000 1.094 212 S HN 0.805 nan 8.310 nan 0.000 0.473 213 T N 0.614 115.174 114.554 0.010 0.000 3.100 213 T HA 0.340 4.690 4.350 -0.001 0.000 0.253 213 T C 1.513 176.212 174.700 -0.002 0.000 1.118 213 T CA 0.720 62.821 62.100 0.002 0.000 1.058 213 T CB -0.307 68.560 68.868 -0.002 0.000 0.953 213 T HN 1.904 nan 8.240 nan 0.000 0.515 214 G N 2.324 111.123 108.800 -0.003 0.000 2.153 214 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.252 214 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.252 214 G C -0.226 174.675 174.900 0.001 0.000 0.994 214 G CA 0.553 45.650 45.100 -0.005 0.000 0.698 214 G HN 0.971 nan 8.290 nan 0.000 0.521 215 D N -3.465 116.938 120.400 0.006 0.000 3.009 215 D HA 0.400 5.039 4.640 -0.001 0.000 0.318 215 D C 1.010 177.322 176.300 0.020 0.000 1.273 215 D CA -0.490 53.517 54.000 0.012 0.000 1.001 215 D CB -0.290 40.517 40.800 0.010 0.000 1.411 215 D HN -0.128 nan 8.370 nan 0.000 0.577 216 Q N -0.606 119.209 119.800 0.026 0.000 2.369 216 Q HA 0.142 4.481 4.340 -0.001 0.000 0.206 216 Q C 1.827 177.856 176.000 0.048 0.000 0.963 216 Q CA 1.265 57.090 55.803 0.037 0.000 0.894 216 Q CB -0.316 28.444 28.738 0.036 0.000 0.965 216 Q HN 0.618 nan 8.270 nan 0.000 0.475 217 A N 0.928 123.772 122.820 0.040 0.000 1.933 217 A HA 0.135 4.455 4.320 -0.001 0.000 0.218 217 A C 1.088 178.710 177.584 0.064 0.000 1.175 217 A CA 1.430 53.494 52.037 0.044 0.000 0.628 217 A CB 0.027 19.042 19.000 0.025 0.000 0.814 217 A HN 0.230 nan 8.150 nan 0.000 0.444 218 A N -0.973 121.886 122.820 0.065 0.000 2.611 218 A HA 0.580 4.899 4.320 -0.001 0.000 0.282 218 A C 0.173 177.817 177.584 0.100 0.000 1.114 218 A CA -0.503 51.609 52.037 0.125 0.000 0.800 218 A CB 0.730 19.740 19.000 0.018 0.000 1.325 218 A HN 0.230 nan 8.150 nan 0.000 0.411 219 K N 1.456 121.918 120.400 0.103 0.000 2.400 219 K HA 0.383 4.703 4.320 -0.001 0.000 0.194 219 K C 1.114 177.609 176.600 -0.176 0.000 1.033 219 K CA 0.676 56.950 56.287 -0.022 0.000 1.021 219 K CB 0.258 32.750 32.500 -0.013 0.000 0.808 219 K HN 1.521 nan 8.250 nan 0.000 0.505 220 G N 1.808 110.379 108.800 -0.381 0.000 2.681 220 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.220 220 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.220 220 G C -0.394 173.932 174.900 -0.957 0.000 1.353 220 G CA -0.382 44.361 45.100 -0.595 0.000 0.872 220 G HN 0.221 nan 8.290 nan 0.000 0.557 221 N N -1.894 116.502 118.700 -0.507 0.000 2.741 221 N HA -0.222 4.517 4.740 -0.001 0.000 0.251 221 N C 0.978 176.201 175.510 -0.478 0.000 1.112 221 N CA 1.921 54.772 53.050 -0.332 0.000 0.750 221 N CB -1.452 36.897 38.487 -0.230 0.000 1.119 221 N HN 0.696 nan 8.380 nan 0.000 0.561 222 Y N -0.128 120.012 120.300 -0.265 0.000 2.165 222 Y HA -0.072 4.478 4.550 -0.001 0.000 0.286 222 Y C 2.611 178.339 175.900 -0.286 0.000 1.155 222 Y CA 1.565 59.528 58.100 -0.229 0.000 1.164 222 Y CB -0.774 37.594 38.460 -0.154 0.000 0.978 222 Y HN 0.241 nan 8.280 nan 0.000 0.513 223 G N 0.029 108.528 108.800 -0.502 0.000 2.422 223 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.218 223 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.218 223 G C 1.686 176.547 174.900 -0.065 0.000 1.146 223 G CA 1.009 45.958 45.100 -0.252 0.000 0.769 223 G HN 0.373 nan 8.290 nan 0.000 0.547 224 L N -0.209 120.972 121.223 -0.071 0.000 2.056 224 L HA 0.041 4.380 4.340 -0.001 0.000 0.207 224 L C 2.873 179.715 176.870 -0.046 0.000 1.078 224 L CA 0.488 55.305 54.840 -0.038 0.000 0.749 224 L CB -0.345 41.711 42.059 -0.005 0.000 0.901 224 L HN 0.174 nan 8.230 nan 0.000 0.433 225 L N -0.501 120.686 121.223 -0.061 0.000 2.083 225 L HA -0.226 4.113 4.340 -0.001 0.000 0.209 225 L C 2.210 179.122 176.870 0.072 0.000 1.083 225 L CA 0.946 55.772 54.840 -0.022 0.000 0.752 225 L CB -0.625 41.415 42.059 -0.032 0.000 0.899 225 L HN 0.300 nan 8.230 nan 0.000 0.433 226 D N -0.149 120.312 120.400 0.102 0.000 2.097 226 D HA -0.202 4.438 4.640 -0.001 0.000 0.195 226 D C 2.276 178.691 176.300 0.192 0.000 0.989 226 D CA 1.160 55.299 54.000 0.232 0.000 0.827 226 D CB -0.181 40.782 40.800 0.270 0.000 0.966 226 D HN 0.385 nan 8.370 nan 0.000 0.456 227 Q N 0.052 119.885 119.800 0.055 0.000 2.096 227 Q HA -0.092 4.247 4.340 -0.001 0.000 0.204 227 Q C 2.462 178.452 176.000 -0.017 0.000 0.982 227 Q CA 0.825 56.597 55.803 -0.052 0.000 0.850 227 Q CB -0.055 28.591 28.738 -0.152 0.000 0.901 227 Q HN 0.344 nan 8.270 nan 0.000 0.422 228 I N 0.294 120.892 120.570 0.047 0.000 2.226 228 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 228 I C 2.539 178.743 176.117 0.145 0.000 1.100 228 I CA 1.133 62.503 61.300 0.115 0.000 1.374 228 I CB -0.156 37.928 38.000 0.140 0.000 1.057 228 I HN 0.232 nan 8.210 nan 0.000 0.413 229 Q N 1.415 121.314 119.800 0.166 0.000 2.119 229 Q HA -0.146 4.193 4.340 -0.001 0.000 0.201 229 Q C 2.121 178.250 176.000 0.215 0.000 0.972 229 Q CA 2.086 58.031 55.803 0.237 0.000 0.847 229 Q CB -0.314 28.601 28.738 0.294 0.000 0.903 229 Q HN 0.466 nan 8.270 nan 0.000 0.433 230 A N 0.374 123.135 122.820 -0.098 0.000 1.908 230 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 230 A C 2.122 179.707 177.584 0.001 0.000 1.181 230 A CA 1.635 53.409 52.037 -0.438 0.000 0.627 230 A CB -0.848 17.591 19.000 -0.934 0.000 0.818 230 A HN 0.470 nan 8.150 nan 0.000 0.445 231 L N -1.209 120.047 121.223 0.055 0.000 2.093 231 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 231 L C 2.873 179.866 176.870 0.205 0.000 1.085 231 L CA 1.115 56.045 54.840 0.150 0.000 0.755 231 L CB -0.464 41.701 42.059 0.177 0.000 0.904 231 L HN 0.357 nan 8.230 nan 0.000 0.435 232 R N -0.926 119.703 120.500 0.216 0.000 2.073 232 R HA -0.226 4.113 4.340 -0.001 0.000 0.234 232 R C 2.097 178.550 176.300 0.255 0.000 1.134 232 R CA 2.026 58.258 56.100 0.220 0.000 0.952 232 R CB -0.642 29.793 30.300 0.226 0.000 0.850 232 R HN 0.405 nan 8.270 nan 0.000 0.433 233 W N 1.692 123.077 121.300 0.142 0.000 2.335 233 W HA -0.184 4.475 4.660 -0.001 0.000 0.311 233 W C 1.882 178.489 176.519 0.147 0.000 1.213 233 W CA 1.504 58.957 57.345 0.181 0.000 1.274 233 W CB -0.281 29.291 29.460 0.187 0.000 1.148 233 W HN -0.053 nan 8.180 nan 0.000 0.498 234 I N 0.364 121.221 120.570 0.478 0.000 2.163 234 I HA -0.342 3.828 4.170 -0.001 0.000 0.243 234 I C 2.648 178.843 176.117 0.131 0.000 1.085 234 I CA 1.993 63.483 61.300 0.317 0.000 1.347 234 I CB -0.816 37.347 38.000 0.272 0.000 1.044 234 I HN 0.101 nan 8.210 nan 0.000 0.408 235 E N 1.297 121.575 120.200 0.130 0.000 2.085 235 E HA -0.274 4.075 4.350 -0.001 0.000 0.194 235 E C 1.847 178.458 176.600 0.019 0.000 0.994 235 E CA 1.743 58.194 56.400 0.085 0.000 0.801 235 E CB 0.031 29.791 29.700 0.100 0.000 0.743 235 E HN 0.593 nan 8.360 nan 0.000 0.453 236 E N -0.594 119.586 120.200 -0.034 0.000 2.250 236 E HA 0.021 4.371 4.350 -0.001 0.000 0.192 236 E C 1.546 178.032 176.600 -0.191 0.000 0.986 236 E CA 0.371 56.708 56.400 -0.104 0.000 0.849 236 E CB 0.211 29.844 29.700 -0.112 0.000 0.797 236 E HN 0.233 nan 8.360 nan 0.000 0.482 237 N N -0.153 118.367 118.700 -0.299 0.000 2.257 237 N HA -0.002 4.737 4.740 -0.001 0.000 0.200 237 N C 1.487 176.991 175.510 -0.011 0.000 1.163 237 N CA 0.160 52.997 53.050 -0.356 0.000 0.891 237 N CB 1.028 38.881 38.487 -1.058 0.000 1.067 237 N HN -0.043 nan 8.380 nan 0.000 0.497 238 V N 1.424 121.367 119.914 0.049 0.000 2.759 238 V HA -0.057 4.063 4.120 -0.001 0.000 0.256 238 V C 2.172 178.405 176.094 0.232 0.000 1.080 238 V CA 1.891 64.309 62.300 0.197 0.000 1.101 238 V CB -0.703 31.193 31.823 0.121 0.000 0.698 238 V HN 0.282 nan 8.190 nan 0.000 0.477 239 G N -0.419 108.449 108.800 0.114 0.000 2.450 239 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.220 239 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.220 239 G C 1.693 176.629 174.900 0.059 0.000 1.130 239 G CA 0.899 46.043 45.100 0.073 0.000 0.760 239 G HN 0.698 nan 8.290 nan 0.000 0.557 240 A N 0.050 122.888 122.820 0.030 0.000 2.067 240 A HA 0.231 4.550 4.320 -0.001 0.000 0.219 240 A C 1.791 179.239 177.584 -0.227 0.000 1.158 240 A CA 0.742 52.703 52.037 -0.126 0.000 0.661 240 A CB -0.389 18.466 19.000 -0.241 0.000 0.801 240 A HN 0.365 nan 8.150 nan 0.000 0.452 241 F N -0.916 119.015 119.950 -0.030 0.000 2.693 241 F HA 0.363 4.889 4.527 -0.001 0.000 0.303 241 F C 1.733 177.555 175.800 0.036 0.000 1.097 241 F CA 0.591 58.583 58.000 -0.013 0.000 1.330 241 F CB 0.228 39.220 39.000 -0.014 0.000 1.067 241 F HN 0.323 nan 8.300 nan 0.000 0.565 242 G N 0.612 109.508 108.800 0.161 0.000 2.136 242 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.242 242 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.242 242 G C 0.505 175.481 174.900 0.126 0.000 0.989 242 G CA -0.216 44.956 45.100 0.119 0.000 0.682 242 G HN 0.715 nan 8.290 nan 0.000 0.522 243 G N -0.843 108.048 108.800 0.152 0.000 2.451 243 G HA2 0.513 4.472 3.960 -0.001 0.000 0.303 243 G HA3 0.513 4.472 3.960 -0.001 0.000 0.303 243 G C -0.935 174.021 174.900 0.093 0.000 1.166 243 G CA 0.046 45.222 45.100 0.127 0.000 0.884 243 G HN 0.193 nan 8.290 nan 0.000 0.514 244 D N 1.050 121.498 120.400 0.079 0.000 2.454 244 D HA 0.327 4.967 4.640 -0.001 0.000 0.225 244 D C -1.293 175.047 176.300 0.067 0.000 1.081 244 D CA -2.327 51.709 54.000 0.061 0.000 0.864 244 D CB 2.026 42.855 40.800 0.047 0.000 1.040 244 D HN 0.002 nan 8.370 nan 0.000 0.517 245 P HA -0.095 nan 4.420 nan 0.000 0.225 245 P C 0.609 177.950 177.300 0.070 0.000 1.148 245 P CA 0.799 63.942 63.100 0.072 0.000 0.779 245 P CB 0.351 32.084 31.700 0.055 0.000 0.780 246 K N -0.541 119.890 120.400 0.052 0.000 2.444 246 K HA 0.103 4.423 4.320 -0.001 0.000 0.193 246 K C 0.746 177.371 176.600 0.042 0.000 1.024 246 K CA 0.213 56.525 56.287 0.042 0.000 1.077 246 K CB 0.209 32.725 32.500 0.025 0.000 0.833 246 K HN 0.082 nan 8.250 nan 0.000 0.517 247 R N 1.154 121.685 120.500 0.051 0.000 2.653 247 R HA 0.215 4.554 4.340 -0.001 0.000 0.269 247 R C -1.357 174.983 176.300 0.068 0.000 1.603 247 R CA -0.221 55.903 56.100 0.040 0.000 1.671 247 R CB 1.355 31.665 30.300 0.015 0.000 1.300 247 R HN -0.141 nan 8.270 nan 0.000 0.668 248 V N 1.355 121.335 119.914 0.111 0.000 2.370 248 V HA 0.347 4.467 4.120 -0.001 0.000 0.283 248 V C 0.287 176.488 176.094 0.180 0.000 1.023 248 V CA -0.364 62.029 62.300 0.154 0.000 0.857 248 V CB 1.933 33.878 31.823 0.203 0.000 0.985 248 V HN 0.350 nan 8.190 nan 0.000 0.443 249 T N 6.472 121.105 114.554 0.131 0.000 2.771 249 T HA 0.610 4.959 4.350 -0.001 0.000 0.281 249 T C -0.104 174.677 174.700 0.134 0.000 0.982 249 T CA -0.177 61.992 62.100 0.115 0.000 0.978 249 T CB 0.994 69.882 68.868 0.034 0.000 0.930 249 T HN 0.638 nan 8.240 nan 0.000 0.447 250 I N 1.527 122.108 120.570 0.019 0.000 2.488 250 I HA 0.896 5.066 4.170 -0.001 0.000 0.299 250 I C -0.863 175.391 176.117 0.228 0.000 0.984 250 I CA -0.974 60.334 61.300 0.012 0.000 1.250 250 I CB 1.067 38.800 38.000 -0.444 0.000 1.389 250 I HN 0.542 nan 8.210 nan 0.000 0.488 251 F N 2.583 122.535 119.950 0.005 0.000 2.668 251 F HA 0.999 5.525 4.527 -0.001 0.000 0.309 251 F C -0.527 175.293 175.800 0.033 0.000 1.117 251 F CA -1.141 56.914 58.000 0.092 0.000 0.951 251 F CB 1.251 40.390 39.000 0.232 0.000 1.323 251 F HN 0.859 nan 8.300 nan 0.000 0.451 252 G N 0.106 108.914 108.800 0.013 0.000 2.601 252 G HA2 0.545 4.504 3.960 -0.001 0.000 0.291 252 G HA3 0.545 4.504 3.960 -0.001 0.000 0.291 252 G C -2.232 172.702 174.900 0.058 0.000 1.456 252 G CA -0.713 44.217 45.100 -0.282 0.000 0.804 252 G HN 0.902 nan 8.290 nan 0.000 0.499 253 S N -0.863 114.878 115.700 0.068 0.000 2.526 253 S HA 0.767 5.236 4.470 -0.001 0.000 0.293 253 S C 0.914 175.571 174.600 0.095 0.000 1.092 253 S CA 1.276 59.589 58.200 0.188 0.000 0.980 253 S CB 0.975 64.379 63.200 0.339 0.000 1.048 253 S HN 2.644 nan 8.310 nan 0.000 0.483 254 G N 3.443 112.319 108.800 0.126 0.000 2.561 254 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.289 254 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.289 254 G C 1.170 176.062 174.900 -0.014 0.000 1.169 254 G CA 0.424 45.607 45.100 0.137 0.000 0.980 254 G HN 1.707 nan 8.290 nan 0.000 0.550 255 A N -0.010 122.690 122.820 -0.199 0.000 2.019 255 A HA 0.266 4.585 4.320 -0.001 0.000 0.219 255 A C 2.889 180.299 177.584 -0.290 0.000 1.164 255 A CA 2.607 54.368 52.037 -0.460 0.000 0.644 255 A CB -1.085 17.415 19.000 -0.833 0.000 0.805 255 A HN 2.178 nan 8.150 nan 0.000 0.449 256 G N -0.540 108.152 108.800 -0.179 0.000 2.422 256 G HA2 0.027 3.987 3.960 -0.001 0.000 0.218 256 G HA3 0.027 3.987 3.960 -0.001 0.000 0.218 256 G C 1.681 176.489 174.900 -0.153 0.000 1.146 256 G CA 1.244 46.222 45.100 -0.204 0.000 0.769 256 G HN 0.754 nan 8.290 nan 0.000 0.547 257 A N 0.768 123.551 122.820 -0.063 0.000 1.930 257 A HA 0.069 4.389 4.320 -0.001 0.000 0.217 257 A C 2.689 180.273 177.584 0.001 0.000 1.175 257 A CA 2.084 54.121 52.037 0.000 0.000 0.627 257 A CB -0.517 18.532 19.000 0.081 0.000 0.815 257 A HN 0.292 nan 8.150 nan 0.000 0.443 258 S N -0.682 115.018 115.700 -0.001 0.000 2.368 258 S HA -0.211 4.259 4.470 -0.001 0.000 0.225 258 S C 1.961 176.582 174.600 0.036 0.000 1.030 258 S CA 1.451 59.673 58.200 0.037 0.000 0.999 258 S CB -0.727 62.521 63.200 0.080 0.000 0.844 258 S HN 0.725 nan 8.310 nan 0.000 0.459 259 C N 1.002 120.305 119.300 0.005 0.000 2.436 259 C HA -0.031 4.429 4.460 -0.001 0.000 0.277 259 C C 2.675 177.615 174.990 -0.083 0.000 1.241 259 C CA 0.442 59.438 59.018 -0.038 0.000 1.721 259 C CB -1.361 26.293 27.740 -0.143 0.000 2.043 259 C HN 0.409 nan 8.230 nan 0.000 0.472 260 V N 1.245 121.091 119.914 -0.113 0.000 2.282 260 V HA -0.255 3.864 4.120 -0.001 0.000 0.249 260 V C 2.491 178.548 176.094 -0.062 0.000 1.057 260 V CA 2.604 64.823 62.300 -0.135 0.000 1.032 260 V CB -0.910 30.843 31.823 -0.118 0.000 0.645 260 V HN 0.600 nan 8.190 nan 0.000 0.447 261 S N 0.019 115.717 115.700 -0.004 0.000 2.370 261 S HA -0.157 4.313 4.470 -0.001 0.000 0.226 261 S C 1.895 176.524 174.600 0.048 0.000 1.033 261 S CA 1.618 59.849 58.200 0.052 0.000 1.011 261 S CB -0.422 62.813 63.200 0.059 0.000 0.852 261 S HN 0.476 nan 8.310 nan 0.000 0.457 262 L N 0.946 122.180 121.223 0.019 0.000 2.083 262 L HA -0.066 4.274 4.340 -0.001 0.000 0.209 262 L C 2.226 179.117 176.870 0.035 0.000 1.083 262 L CA 0.934 55.781 54.840 0.012 0.000 0.752 262 L CB -0.567 41.489 42.059 -0.004 0.000 0.899 262 L HN 0.281 nan 8.230 nan 0.000 0.433 263 L N -0.449 120.792 121.223 0.030 0.000 2.093 263 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 263 L C 2.762 179.754 176.870 0.204 0.000 1.085 263 L CA 1.713 56.608 54.840 0.091 0.000 0.755 263 L CB -0.956 41.106 42.059 0.005 0.000 0.904 263 L HN 0.454 nan 8.230 nan 0.000 0.435 264 T N -2.450 112.208 114.554 0.174 0.000 3.007 264 T HA -0.090 4.260 4.350 -0.001 0.000 0.270 264 T C 1.482 176.389 174.700 0.344 0.000 1.107 264 T CA 0.823 63.081 62.100 0.262 0.000 1.118 264 T CB -0.221 68.836 68.868 0.315 0.000 0.889 264 T HN 0.311 nan 8.240 nan 0.000 0.506 265 L N 0.538 121.858 121.223 0.162 0.000 2.693 265 L HA 0.378 4.718 4.340 -0.001 0.000 0.235 265 L C 1.079 177.934 176.870 -0.025 0.000 1.127 265 L CA -0.340 54.524 54.840 0.041 0.000 0.914 265 L CB 0.324 42.352 42.059 -0.052 0.000 1.193 265 L HN 0.162 nan 8.230 nan 0.000 0.502 266 S N -1.212 114.518 115.700 0.050 0.000 2.489 266 S HA 0.255 4.725 4.470 -0.001 0.000 0.291 266 S C 1.149 175.792 174.600 0.073 0.000 1.151 266 S CA -0.607 57.627 58.200 0.057 0.000 1.082 266 S CB 0.696 63.997 63.200 0.167 0.000 1.019 266 S HN 0.211 nan 8.310 nan 0.000 0.492 267 H N 3.919 123.102 119.070 0.188 0.000 2.456 267 H HA -0.082 4.474 4.556 -0.001 0.000 0.296 267 H C 0.977 176.334 175.328 0.048 0.000 1.079 267 H CA 1.678 57.776 56.048 0.083 0.000 1.322 267 H CB -0.188 29.566 29.762 -0.013 0.000 1.388 267 H HN 0.779 nan 8.280 nan 0.000 0.538 268 Y N 0.894 121.301 120.300 0.177 0.000 2.384 268 Y HA -0.161 4.389 4.550 -0.001 0.000 0.289 268 Y C 2.579 178.565 175.900 0.143 0.000 1.152 268 Y CA 1.061 59.245 58.100 0.140 0.000 1.258 268 Y CB 0.081 38.611 38.460 0.116 0.000 0.979 268 Y HN 0.075 nan 8.280 nan 0.000 0.549 269 S N -0.809 115.068 115.700 0.294 0.000 2.528 269 S HA -0.025 4.444 4.470 -0.001 0.000 0.219 269 S C 0.366 175.028 174.600 0.103 0.000 0.985 269 S CA -0.040 58.316 58.200 0.261 0.000 0.914 269 S CB -0.214 63.202 63.200 0.361 0.000 0.776 269 S HN 0.400 nan 8.310 nan 0.000 0.526 270 E N 0.818 121.089 120.200 0.118 0.000 2.414 270 E HA 0.305 4.654 4.350 -0.001 0.000 0.263 270 E C 1.060 177.672 176.600 0.020 0.000 1.000 270 E CA 0.434 56.874 56.400 0.067 0.000 0.914 270 E CB 0.161 29.913 29.700 0.086 0.000 0.948 270 E HN 0.335 nan 8.360 nan 0.000 0.444 271 G N 2.738 111.527 108.800 -0.019 0.000 2.155 271 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.257 271 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.257 271 G C 0.576 175.488 174.900 0.020 0.000 0.983 271 G CA 0.442 45.540 45.100 -0.004 0.000 0.676 271 G HN 0.514 nan 8.290 nan 0.000 0.528 272 L N -1.532 119.691 121.223 -0.000 0.000 2.609 272 L HA 0.495 4.834 4.340 -0.001 0.000 0.230 272 L C 0.819 177.838 176.870 0.248 0.000 1.087 272 L CA 0.477 55.399 54.840 0.137 0.000 0.874 272 L CB 0.083 42.287 42.059 0.242 0.000 1.114 272 L HN 0.469 nan 8.230 nan 0.000 0.488 273 F N -3.457 116.577 119.950 0.139 0.000 2.741 273 F HA 0.476 5.002 4.527 -0.001 0.000 0.311 273 F C -0.212 175.718 175.800 0.216 0.000 1.149 273 F CA -0.919 57.151 58.000 0.118 0.000 0.930 273 F CB 1.114 40.143 39.000 0.048 0.000 1.312 273 F HN -0.331 nan 8.300 nan 0.000 0.450 274 Q N 0.302 120.307 119.800 0.343 0.000 2.211 274 Q HA 0.414 4.753 4.340 -0.001 0.000 0.242 274 Q C -0.948 175.286 176.000 0.389 0.000 0.825 274 Q CA 0.181 56.166 55.803 0.304 0.000 0.951 274 Q CB 1.180 29.997 28.738 0.131 0.000 1.130 274 Q HN 0.614 nan 8.270 nan 0.000 0.496 275 K N -0.372 120.263 120.400 0.391 0.000 2.508 275 K HA 0.867 5.186 4.320 -0.001 0.000 0.260 275 K C -1.517 175.260 176.600 0.294 0.000 0.949 275 K CA -0.880 55.575 56.287 0.280 0.000 0.834 275 K CB 2.420 34.898 32.500 -0.036 0.000 1.365 275 K HN -0.021 nan 8.250 nan 0.000 0.437 276 A N 2.106 125.098 122.820 0.287 0.000 2.486 276 A HA 0.732 5.051 4.320 -0.001 0.000 0.300 276 A C -1.272 176.375 177.584 0.106 0.000 1.048 276 A CA -0.708 51.403 52.037 0.123 0.000 0.696 276 A CB 0.782 19.794 19.000 0.019 0.000 1.278 276 A HN 0.647 nan 8.150 nan 0.000 0.405 277 I N 2.371 122.981 120.570 0.066 0.000 2.436 277 I HA 0.419 4.589 4.170 -0.001 0.000 0.289 277 I C -0.926 175.246 176.117 0.093 0.000 1.010 277 I CA -0.293 60.984 61.300 -0.040 0.000 1.098 277 I CB 1.782 39.681 38.000 -0.168 0.000 1.266 277 I HN 0.487 nan 8.210 nan 0.000 0.434 278 I N 6.275 126.871 120.570 0.044 0.000 2.437 278 I HA 0.274 4.444 4.170 -0.001 0.000 0.279 278 I C -0.558 175.628 176.117 0.114 0.000 1.028 278 I CA -0.419 60.924 61.300 0.070 0.000 1.142 278 I CB 1.077 39.086 38.000 0.014 0.000 1.266 278 I HN 0.529 nan 8.210 nan 0.000 0.461 279 Q N 4.383 124.314 119.800 0.218 0.000 2.398 279 Q HA 0.348 4.687 4.340 -0.001 0.000 0.251 279 Q C 0.167 176.303 176.000 0.227 0.000 0.999 279 Q CA -0.453 55.528 55.803 0.297 0.000 0.874 279 Q CB 1.406 30.388 28.738 0.406 0.000 1.215 279 Q HN 0.672 nan 8.270 nan 0.000 0.470 280 S N 1.080 116.894 115.700 0.189 0.000 3.631 280 S HA -0.159 4.310 4.470 -0.001 0.000 0.366 280 S C 0.020 174.914 174.600 0.490 0.000 0.993 280 S CA 0.527 58.915 58.200 0.312 0.000 1.167 280 S CB -1.129 62.223 63.200 0.254 0.000 0.909 280 S HN 0.966 nan 8.310 nan 0.000 0.478 281 G N -0.498 108.491 108.800 0.315 0.000 2.632 281 G HA2 0.714 4.674 3.960 -0.001 0.000 0.292 281 G HA3 0.714 4.674 3.960 -0.001 0.000 0.292 281 G C -0.850 174.120 174.900 0.116 0.000 1.465 281 G CA 0.250 45.486 45.100 0.227 0.000 0.824 281 G HN 0.945 nan 8.290 nan 0.000 0.509 282 T N -2.710 111.881 114.554 0.061 0.000 2.787 282 T HA 0.677 5.027 4.350 -0.001 0.000 0.297 282 T C 0.941 175.652 174.700 0.018 0.000 1.221 282 T CA 0.416 62.536 62.100 0.033 0.000 1.006 282 T CB 1.474 70.345 68.868 0.006 0.000 1.328 282 T HN 1.732 nan 8.240 nan 0.000 0.509 283 A N -0.155 122.673 122.820 0.013 0.000 2.238 283 A HA 0.421 4.740 4.320 -0.001 0.000 0.208 283 A C 1.683 179.251 177.584 -0.027 0.000 1.177 283 A CA 0.208 52.245 52.037 0.001 0.000 0.804 283 A CB -0.804 18.193 19.000 -0.006 0.000 0.823 283 A HN 0.734 nan 8.150 nan 0.000 0.482 284 L N -0.024 121.161 121.223 -0.064 0.000 2.638 284 L HA 0.100 4.439 4.340 -0.001 0.000 0.232 284 L C 1.201 177.940 176.870 -0.219 0.000 1.099 284 L CA 0.246 55.021 54.840 -0.109 0.000 0.883 284 L CB 0.021 42.016 42.059 -0.106 0.000 1.136 284 L HN 0.437 nan 8.230 nan 0.000 0.492 285 S N -0.499 115.034 115.700 -0.277 0.000 2.589 285 S HA 0.009 4.479 4.470 -0.001 0.000 0.265 285 S C 1.451 175.738 174.600 -0.521 0.000 1.342 285 S CA -0.009 57.871 58.200 -0.534 0.000 1.005 285 S CB 1.310 64.139 63.200 -0.619 0.000 0.909 285 S HN 0.294 nan 8.310 nan 0.000 0.555 286 S N 0.099 115.305 115.700 -0.822 0.000 2.447 286 S HA -0.099 4.370 4.470 -0.001 0.000 0.233 286 S C 1.021 175.359 174.600 -0.437 0.000 1.006 286 S CA 0.740 58.537 58.200 -0.671 0.000 0.957 286 S CB -0.802 61.837 63.200 -0.934 0.000 0.773 286 S HN 1.014 nan 8.310 nan 0.000 0.507 287 W N 0.421 121.561 121.300 -0.267 0.000 3.123 287 W HA 0.828 5.487 4.660 -0.001 0.000 0.383 287 W C 1.486 177.989 176.519 -0.026 0.000 1.102 287 W CA -1.156 56.101 57.345 -0.147 0.000 1.865 287 W CB -0.738 28.626 29.460 -0.159 0.000 1.111 287 W HN 0.241 nan 8.180 nan 0.000 0.621 288 A N 0.449 123.400 122.820 0.219 0.000 1.935 288 A HA 0.343 4.663 4.320 -0.001 0.000 0.214 288 A C 0.581 178.204 177.584 0.064 0.000 1.178 288 A CA 1.053 53.220 52.037 0.216 0.000 0.640 288 A CB -0.224 18.833 19.000 0.094 0.000 0.825 288 A HN 0.017 nan 8.150 nan 0.000 0.447 289 V N 0.695 120.588 119.914 -0.035 0.000 2.735 289 V HA 0.319 4.439 4.120 -0.001 0.000 0.310 289 V C -1.055 174.897 176.094 -0.237 0.000 1.061 289 V CA -1.021 61.139 62.300 -0.233 0.000 0.913 289 V CB 1.804 33.410 31.823 -0.361 0.000 1.005 289 V HN 0.414 nan 8.190 nan 0.000 0.428 290 N N 2.013 120.526 118.700 -0.312 0.000 2.439 290 N HA 0.290 5.029 4.740 -0.001 0.000 0.249 290 N C -0.162 175.179 175.510 -0.281 0.000 1.003 290 N CA -0.132 52.806 53.050 -0.187 0.000 0.942 290 N CB 0.615 39.010 38.487 -0.153 0.000 1.115 290 N HN 0.577 nan 8.380 nan 0.000 0.505 291 Y N 1.274 121.581 120.300 0.011 0.000 2.490 291 Y HA 0.174 4.724 4.550 -0.001 0.000 0.281 291 Y C 0.507 176.399 175.900 -0.012 0.000 1.174 291 Y CA 0.313 58.409 58.100 -0.007 0.000 1.295 291 Y CB 0.511 38.963 38.460 -0.014 0.000 1.062 291 Y HN 0.497 nan 8.280 nan 0.000 0.522 292 Q N 0.477 120.343 119.800 0.112 0.000 2.506 292 Q HA 0.156 4.495 4.340 -0.001 0.000 0.380 292 Q C -2.032 173.985 176.000 0.028 0.000 0.867 292 Q CA -1.449 54.374 55.803 0.034 0.000 1.093 292 Q CB 0.808 29.531 28.738 -0.026 0.000 1.388 292 Q HN 0.164 nan 8.270 nan 0.000 0.400 293 P HA -0.207 nan 4.420 nan 0.000 0.216 293 P C 1.133 178.425 177.300 -0.013 0.000 1.153 293 P CA 1.377 64.485 63.100 0.014 0.000 0.848 293 P CB 0.353 32.050 31.700 -0.005 0.000 0.787 294 A N 0.858 123.654 122.820 -0.039 0.000 1.940 294 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 294 A C 2.436 179.963 177.584 -0.096 0.000 1.176 294 A CA 2.069 54.078 52.037 -0.047 0.000 0.631 294 A CB -1.316 17.657 19.000 -0.045 0.000 0.814 294 A HN 0.180 nan 8.150 nan 0.000 0.446 295 K N -1.561 118.717 120.400 -0.203 0.000 2.026 295 K HA -0.202 4.117 4.320 -0.001 0.000 0.208 295 K C 1.782 178.163 176.600 -0.364 0.000 1.048 295 K CA 1.928 58.007 56.287 -0.347 0.000 0.929 295 K CB -0.345 31.805 32.500 -0.583 0.000 0.713 295 K HN 0.520 nan 8.250 nan 0.000 0.439 296 Y N 0.798 121.024 120.300 -0.124 0.000 2.286 296 Y HA -0.056 4.494 4.550 -0.001 0.000 0.293 296 Y C 2.572 178.454 175.900 -0.030 0.000 1.124 296 Y CA 1.223 59.220 58.100 -0.172 0.000 1.178 296 Y CB -0.641 37.539 38.460 -0.467 0.000 1.010 296 Y HN 0.075 nan 8.280 nan 0.000 0.536 297 T N -0.034 114.599 114.554 0.132 0.000 2.788 297 T HA -0.202 4.148 4.350 -0.001 0.000 0.268 297 T C 2.026 176.801 174.700 0.126 0.000 1.044 297 T CA 1.655 63.881 62.100 0.210 0.000 1.139 297 T CB -0.171 68.777 68.868 0.134 0.000 0.867 297 T HN 0.081 nan 8.240 nan 0.000 0.454 298 R N 1.341 121.871 120.500 0.050 0.000 2.075 298 R HA 0.106 4.446 4.340 -0.001 0.000 0.232 298 R C 2.132 178.460 176.300 0.047 0.000 1.126 298 R CA 1.354 57.470 56.100 0.027 0.000 0.963 298 R CB -1.053 29.238 30.300 -0.016 0.000 0.858 298 R HN 0.439 nan 8.270 nan 0.000 0.435 299 I N 0.388 120.993 120.570 0.057 0.000 2.208 299 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 299 I C 2.092 178.283 176.117 0.122 0.000 1.097 299 I CA 1.020 62.370 61.300 0.082 0.000 1.363 299 I CB -0.382 37.680 38.000 0.103 0.000 1.051 299 I HN 0.203 nan 8.210 nan 0.000 0.413 300 L N 1.283 122.618 121.223 0.187 0.000 1.970 300 L HA -0.188 4.152 4.340 -0.001 0.000 0.212 300 L C 2.633 179.569 176.870 0.110 0.000 1.071 300 L CA 2.285 57.236 54.840 0.185 0.000 0.751 300 L CB -0.918 41.306 42.059 0.274 0.000 0.889 300 L HN 0.196 nan 8.230 nan 0.000 0.432 301 A N -0.546 122.330 122.820 0.094 0.000 1.903 301 A HA -0.295 4.024 4.320 -0.001 0.000 0.219 301 A C 1.997 179.609 177.584 0.047 0.000 1.191 301 A CA 2.272 54.346 52.037 0.061 0.000 0.638 301 A CB -1.125 17.903 19.000 0.046 0.000 0.823 301 A HN 0.619 nan 8.150 nan 0.000 0.451 302 D N -0.592 119.835 120.400 0.045 0.000 2.219 302 D HA -0.070 4.570 4.640 -0.001 0.000 0.205 302 D C 1.755 178.075 176.300 0.034 0.000 0.970 302 D CA 1.147 55.167 54.000 0.033 0.000 0.851 302 D CB -0.250 40.567 40.800 0.028 0.000 0.943 302 D HN 0.531 nan 8.370 nan 0.000 0.488 303 K N -0.133 120.294 120.400 0.046 0.000 2.439 303 K HA 0.048 4.367 4.320 -0.001 0.000 0.197 303 K C 1.105 177.723 176.600 0.029 0.000 1.041 303 K CA 0.231 56.542 56.287 0.040 0.000 0.970 303 K CB 0.723 33.255 32.500 0.053 0.000 0.773 303 K HN -0.020 nan 8.250 nan 0.000 0.479 304 V N -0.461 119.471 119.914 0.031 0.000 3.398 304 V HA 0.163 4.283 4.120 -0.001 0.000 0.298 304 V C 0.573 176.679 176.094 0.021 0.000 1.496 304 V CA 0.469 62.784 62.300 0.025 0.000 1.044 304 V CB 1.020 32.865 31.823 0.037 0.000 0.880 304 V HN 0.475 nan 8.190 nan 0.000 0.443 305 G N 0.239 109.051 108.800 0.020 0.000 2.137 305 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.237 305 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.237 305 G C 0.191 175.103 174.900 0.020 0.000 1.002 305 G CA 0.117 45.227 45.100 0.016 0.000 0.702 305 G HN 0.498 nan 8.290 nan 0.000 0.515 306 C N 0.791 120.106 119.300 0.025 0.000 2.683 306 C HA 0.367 4.826 4.460 -0.001 0.000 0.371 306 C C 1.503 176.506 174.990 0.022 0.000 1.330 306 C CA -0.594 58.440 59.018 0.026 0.000 1.664 306 C CB -1.145 26.616 27.740 0.035 0.000 2.051 306 C HN 0.503 nan 8.230 nan 0.000 0.544 307 N N 1.515 120.226 118.700 0.018 0.000 2.467 307 N HA 0.000 4.740 4.740 -0.001 0.000 0.184 307 N C 1.010 176.527 175.510 0.011 0.000 1.106 307 N CA 0.347 53.405 53.050 0.014 0.000 0.892 307 N CB -0.019 38.474 38.487 0.011 0.000 0.969 307 N HN 0.645 nan 8.380 nan 0.000 0.454 308 M N -0.390 119.217 119.600 0.012 0.000 2.249 308 M HA 0.042 4.521 4.480 -0.001 0.000 0.340 308 M C 0.289 176.594 176.300 0.008 0.000 1.166 308 M CA 0.316 55.622 55.300 0.010 0.000 1.115 308 M CB 0.487 33.093 32.600 0.012 0.000 1.606 308 M HN -0.131 nan 8.290 nan 0.000 0.448 309 L N 1.229 122.456 121.223 0.006 0.000 2.249 309 L HA 0.139 4.478 4.340 -0.001 0.000 0.207 309 L C 1.087 177.959 176.870 0.004 0.000 1.090 309 L CA 1.176 56.017 54.840 0.003 0.000 0.802 309 L CB -0.796 41.264 42.059 0.001 0.000 0.947 309 L HN 0.808 nan 8.230 nan 0.000 0.453 310 D N -0.204 120.199 120.400 0.006 0.000 2.412 310 D HA -0.079 4.561 4.640 -0.001 0.000 0.257 310 D C 1.131 177.437 176.300 0.009 0.000 1.217 310 D CA 0.634 54.638 54.000 0.008 0.000 0.897 310 D CB 1.393 42.199 40.800 0.009 0.000 1.132 310 D HN 0.294 nan 8.370 nan 0.000 0.493 311 T N 0.780 115.338 114.554 0.007 0.000 2.833 311 T HA -0.161 4.189 4.350 -0.001 0.000 0.269 311 T C 1.798 176.504 174.700 0.011 0.000 1.054 311 T CA 1.308 63.411 62.100 0.006 0.000 1.135 311 T CB -0.258 68.612 68.868 0.004 0.000 0.869 311 T HN 0.356 nan 8.240 nan 0.000 0.466 312 T N 2.057 116.621 114.554 0.016 0.000 2.708 312 T HA -0.089 4.261 4.350 -0.001 0.000 0.266 312 T C 1.696 176.411 174.700 0.025 0.000 1.037 312 T CA 1.534 63.648 62.100 0.023 0.000 1.146 312 T CB -0.533 68.349 68.868 0.023 0.000 0.865 312 T HN 0.453 nan 8.240 nan 0.000 0.435 313 D N 0.788 121.201 120.400 0.021 0.000 2.144 313 D HA -0.014 4.625 4.640 -0.001 0.000 0.200 313 D C 1.976 178.291 176.300 0.025 0.000 0.978 313 D CA 0.643 54.657 54.000 0.023 0.000 0.833 313 D CB -0.387 40.424 40.800 0.018 0.000 0.961 313 D HN 0.318 nan 8.370 nan 0.000 0.470 314 M N 0.592 120.204 119.600 0.020 0.000 2.086 314 M HA -0.169 4.310 4.480 -0.001 0.000 0.261 314 M C 1.951 178.264 176.300 0.022 0.000 1.067 314 M CA 1.282 56.594 55.300 0.019 0.000 1.116 314 M CB 0.026 32.633 32.600 0.011 0.000 1.348 314 M HN -0.158 nan 8.290 nan 0.000 0.407 315 V N 0.730 120.652 119.914 0.012 0.000 2.343 315 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 315 V C 2.280 178.427 176.094 0.088 0.000 1.051 315 V CA 2.297 64.603 62.300 0.010 0.000 1.036 315 V CB -0.868 30.950 31.823 -0.008 0.000 0.654 315 V HN 0.545 nan 8.190 nan 0.000 0.451 316 E N -0.467 119.777 120.200 0.073 0.000 2.072 316 E HA -0.218 4.131 4.350 -0.001 0.000 0.191 316 E C 2.208 178.853 176.600 0.076 0.000 0.985 316 E CA 1.746 58.192 56.400 0.077 0.000 0.801 316 E CB -0.830 28.900 29.700 0.050 0.000 0.750 316 E HN 0.581 nan 8.360 nan 0.000 0.452 317 C N -0.125 119.211 119.300 0.061 0.000 2.413 317 C HA -0.117 4.342 4.460 -0.001 0.000 0.277 317 C C 2.562 177.601 174.990 0.083 0.000 1.228 317 C CA 1.115 60.167 59.018 0.057 0.000 1.731 317 C CB -1.269 26.496 27.740 0.042 0.000 2.042 317 C HN 0.539 nan 8.230 nan 0.000 0.468 318 L N 0.403 121.694 121.223 0.114 0.000 2.083 318 L HA -0.124 4.215 4.340 -0.001 0.000 0.209 318 L C 2.915 179.960 176.870 0.293 0.000 1.083 318 L CA 1.822 56.776 54.840 0.189 0.000 0.752 318 L CB -0.819 41.346 42.059 0.177 0.000 0.899 318 L HN 0.395 nan 8.230 nan 0.000 0.433 319 R N 0.368 121.048 120.500 0.301 0.000 2.152 319 R HA -0.137 4.202 4.340 -0.001 0.000 0.232 319 R C 1.401 177.719 176.300 0.030 0.000 1.117 319 R CA 1.349 57.553 56.100 0.173 0.000 0.981 319 R CB -0.009 30.386 30.300 0.159 0.000 0.870 319 R HN 0.434 nan 8.270 nan 0.000 0.451 320 N N 0.366 119.095 118.700 0.049 0.000 2.280 320 N HA -0.006 4.733 4.740 -0.001 0.000 0.192 320 N C -0.454 175.066 175.510 0.017 0.000 1.109 320 N CA 0.218 53.278 53.050 0.018 0.000 0.855 320 N CB 0.422 38.919 38.487 0.018 0.000 0.974 320 N HN 0.009 nan 8.380 nan 0.000 0.482 321 K N 1.977 122.399 120.400 0.037 0.000 2.326 321 K HA 0.043 4.362 4.320 -0.001 0.000 0.275 321 K C 0.429 177.035 176.600 0.009 0.000 1.018 321 K CA -0.280 56.023 56.287 0.026 0.000 0.962 321 K CB 0.675 33.205 32.500 0.049 0.000 0.953 321 K HN 0.096 nan 8.250 nan 0.000 0.475 322 N N 2.597 121.282 118.700 -0.026 0.000 2.412 322 N HA -0.140 4.599 4.740 -0.001 0.000 0.258 322 N C 1.016 176.482 175.510 -0.073 0.000 1.236 322 N CA 0.469 53.473 53.050 -0.077 0.000 0.882 322 N CB 0.388 38.800 38.487 -0.126 0.000 1.066 322 N HN 0.540 nan 8.380 nan 0.000 0.465 323 Y N 3.494 123.762 120.300 -0.053 0.000 2.373 323 Y HA 0.048 4.597 4.550 -0.001 0.000 0.293 323 Y C 1.835 177.706 175.900 -0.049 0.000 1.129 323 Y CA 0.761 58.827 58.100 -0.056 0.000 1.226 323 Y CB -0.023 38.392 38.460 -0.076 0.000 1.000 323 Y HN 0.435 nan 8.280 nan 0.000 0.549 324 K N 0.486 120.564 120.400 -0.537 0.000 2.074 324 K HA -0.261 4.058 4.320 -0.001 0.000 0.209 324 K C 2.018 178.537 176.600 -0.134 0.000 1.048 324 K CA 1.930 58.034 56.287 -0.305 0.000 0.926 324 K CB -0.196 32.094 32.500 -0.349 0.000 0.713 324 K HN 0.341 nan 8.250 nan 0.000 0.444 325 E N 1.356 121.486 120.200 -0.117 0.000 2.070 325 E HA -0.180 4.169 4.350 -0.001 0.000 0.197 325 E C 1.813 178.396 176.600 -0.027 0.000 1.004 325 E CA 1.368 57.729 56.400 -0.064 0.000 0.805 325 E CB -0.229 29.443 29.700 -0.046 0.000 0.744 325 E HN 0.220 nan 8.360 nan 0.000 0.451 326 L N 0.333 121.561 121.223 0.008 0.000 2.005 326 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 326 L C 2.732 179.610 176.870 0.012 0.000 1.072 326 L CA 1.637 56.494 54.840 0.029 0.000 0.744 326 L CB -0.801 41.301 42.059 0.071 0.000 0.895 326 L HN 0.324 nan 8.230 nan 0.000 0.433 327 I N -3.049 117.547 120.570 0.043 0.000 2.676 327 I HA -0.162 4.007 4.170 -0.001 0.000 0.259 327 I C 2.308 178.414 176.117 -0.018 0.000 1.194 327 I CA 0.937 62.267 61.300 0.051 0.000 1.473 327 I CB -0.324 37.756 38.000 0.134 0.000 1.096 327 I HN 0.156 nan 8.210 nan 0.000 0.443 328 Q N 1.024 120.756 119.800 -0.112 0.000 2.472 328 Q HA 0.043 4.383 4.340 -0.001 0.000 0.208 328 Q C 0.594 176.497 176.000 -0.162 0.000 0.958 328 Q CA 0.658 56.292 55.803 -0.282 0.000 0.932 328 Q CB -0.040 28.547 28.738 -0.250 0.000 1.007 328 Q HN 0.554 nan 8.270 nan 0.000 0.508 329 Q N -0.036 119.734 119.800 -0.050 0.000 2.340 329 Q HA 0.182 4.521 4.340 -0.001 0.000 0.249 329 Q C -0.613 175.422 176.000 0.058 0.000 0.957 329 Q CA 0.355 56.164 55.803 0.010 0.000 0.882 329 Q CB 1.125 29.890 28.738 0.045 0.000 1.235 329 Q HN -0.035 nan 8.270 nan 0.000 0.439 330 T N 3.049 117.645 114.554 0.070 0.000 2.801 330 T HA 0.543 4.892 4.350 -0.001 0.000 0.306 330 T C 0.141 174.913 174.700 0.119 0.000 1.020 330 T CA -0.325 61.832 62.100 0.095 0.000 0.948 330 T CB -0.038 68.872 68.868 0.070 0.000 0.962 330 T HN 0.299 nan 8.240 nan 0.000 0.465 331 I N 3.383 124.052 120.570 0.164 0.000 2.428 331 I HA 0.216 4.385 4.170 -0.001 0.000 0.279 331 I C 0.395 176.570 176.117 0.098 0.000 1.040 331 I CA -0.495 60.916 61.300 0.184 0.000 1.171 331 I CB 1.180 39.376 38.000 0.325 0.000 1.312 331 I HN 0.426 nan 8.210 nan 0.000 0.470 332 T N 7.484 122.089 114.554 0.085 0.000 2.729 332 T HA 0.281 4.630 4.350 -0.001 0.000 0.296 332 T C -1.991 172.722 174.700 0.022 0.000 0.928 332 T CA -0.924 61.202 62.100 0.043 0.000 1.045 332 T CB 0.384 69.285 68.868 0.055 0.000 0.902 332 T HN 0.340 nan 8.240 nan 0.000 0.500 333 P HA 0.407 nan 4.420 nan 0.000 0.276 333 P C -0.397 176.933 177.300 0.050 0.000 1.261 333 P CA -0.713 62.300 63.100 -0.146 0.000 0.800 333 P CB 0.508 32.040 31.700 -0.280 0.000 1.066 334 A N 0.899 123.794 122.820 0.125 0.000 2.520 334 A HA 0.177 4.496 4.320 -0.001 0.000 0.235 334 A C 0.443 178.085 177.584 0.096 0.000 1.065 334 A CA 0.257 52.338 52.037 0.073 0.000 0.764 334 A CB -1.096 17.903 19.000 -0.002 0.000 1.002 334 A HN 0.552 nan 8.150 nan 0.000 0.502 335 T N 2.555 117.095 114.554 -0.024 0.000 2.866 335 T HA 0.228 4.577 4.350 -0.001 0.000 0.293 335 T C -0.108 174.500 174.700 -0.154 0.000 1.005 335 T CA 1.460 63.415 62.100 -0.242 0.000 1.162 335 T CB -0.456 68.107 68.868 -0.509 0.000 0.968 335 T HN 0.748 nan 8.240 nan 0.000 0.530 336 Y N -0.474 119.918 120.300 0.152 0.000 4.729 336 Y HA -0.206 4.344 4.550 -0.001 0.000 0.239 336 Y C 0.552 176.334 175.900 -0.198 0.000 1.043 336 Y CA 0.382 58.514 58.100 0.053 0.000 2.045 336 Y CB -3.082 35.249 38.460 -0.215 0.000 1.599 336 Y HN 0.823 nan 8.280 nan 0.000 0.655 337 H N -0.565 118.614 119.070 0.182 0.000 2.824 337 H HA 0.851 5.407 4.556 -0.001 0.000 0.345 337 H C 0.396 175.769 175.328 0.075 0.000 1.252 337 H CA -0.596 55.520 56.048 0.113 0.000 1.246 337 H CB 1.529 31.321 29.762 0.050 0.000 1.908 337 H HN 0.129 nan 8.280 nan 0.000 0.601 338 I N -1.629 119.019 120.570 0.130 0.000 2.740 338 I HA 0.715 4.884 4.170 -0.001 0.000 0.303 338 I C 0.194 176.113 176.117 -0.331 0.000 1.044 338 I CA -1.106 60.173 61.300 -0.034 0.000 1.064 338 I CB 2.500 40.528 38.000 0.047 0.000 1.249 338 I HN 0.617 nan 8.210 nan 0.000 0.433 339 A N 3.627 126.141 122.820 -0.511 0.000 2.014 339 A HA 0.442 4.762 4.320 -0.001 0.000 0.210 339 A C 0.284 177.262 177.584 -1.011 0.000 1.188 339 A CA 0.661 52.041 52.037 -1.094 0.000 0.731 339 A CB -0.032 18.373 19.000 -0.991 0.000 0.858 339 A HN 0.612 nan 8.150 nan 0.000 0.464 340 F N -1.067 118.828 119.950 -0.091 0.000 2.612 340 F HA 0.628 5.155 4.527 -0.001 0.000 0.332 340 F C 0.474 176.197 175.800 -0.128 0.000 1.167 340 F CA -0.159 57.845 58.000 0.006 0.000 0.970 340 F CB 1.910 40.983 39.000 0.121 0.000 1.234 340 F HN 0.270 nan 8.300 nan 0.000 0.453 341 G N 2.410 111.107 108.800 -0.172 0.000 2.490 341 G HA2 0.539 4.498 3.960 -0.001 0.000 0.308 341 G HA3 0.539 4.498 3.960 -0.001 0.000 0.308 341 G C -3.391 171.118 174.900 -0.652 0.000 1.286 341 G CA -1.299 43.257 45.100 -0.906 0.000 0.825 341 G HN 0.116 nan 8.290 nan 0.000 0.479 342 P HA 0.324 nan 4.420 nan 0.000 0.265 342 P C 0.018 177.149 177.300 -0.281 0.000 1.187 342 P CA 0.054 62.931 63.100 -0.372 0.000 0.766 342 P CB 1.025 32.481 31.700 -0.406 0.000 0.820 343 V N 0.963 120.764 119.914 -0.188 0.000 2.914 343 V HA 0.486 4.605 4.120 -0.001 0.000 0.314 343 V C -0.243 175.743 176.094 -0.180 0.000 1.084 343 V CA -1.022 61.153 62.300 -0.209 0.000 0.963 343 V CB 2.081 33.823 31.823 -0.135 0.000 1.025 343 V HN 0.168 nan 8.190 nan 0.000 0.432 344 I N 4.189 124.644 120.570 -0.192 0.000 2.372 344 I HA 0.217 4.386 4.170 -0.001 0.000 0.298 344 I C 0.804 176.886 176.117 -0.057 0.000 1.137 344 I CA 0.191 61.430 61.300 -0.101 0.000 1.314 344 I CB -0.104 37.862 38.000 -0.056 0.000 1.444 344 I HN 0.960 nan 8.210 nan 0.000 0.541 345 D N 3.524 123.895 120.400 -0.048 0.000 2.354 345 D HA 0.059 4.699 4.640 -0.001 0.000 0.209 345 D C 1.421 177.725 176.300 0.006 0.000 1.015 345 D CA 0.737 54.718 54.000 -0.031 0.000 0.867 345 D CB 0.389 41.156 40.800 -0.055 0.000 0.933 345 D HN 0.676 nan 8.370 nan 0.000 0.520 346 G N 0.701 109.516 108.800 0.024 0.000 2.157 346 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.248 346 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.248 346 G C 0.417 175.368 174.900 0.085 0.000 0.979 346 G CA 0.712 45.843 45.100 0.051 0.000 0.650 346 G HN 0.575 nan 8.290 nan 0.000 0.529 347 D N -1.761 118.699 120.400 0.099 0.000 3.001 347 D HA 0.164 4.804 4.640 -0.001 0.000 0.183 347 D C 2.239 178.705 176.300 0.277 0.000 1.502 347 D CA 1.153 55.264 54.000 0.185 0.000 1.490 347 D CB -0.404 40.488 40.800 0.154 0.000 1.274 347 D HN 0.254 nan 8.370 nan 0.000 0.269 348 V N 1.032 121.002 119.914 0.093 0.000 2.358 348 V HA 0.090 4.210 4.120 -0.001 0.000 0.246 348 V C 1.083 177.213 176.094 0.060 0.000 1.047 348 V CA 1.137 63.422 62.300 -0.025 0.000 1.035 348 V CB -0.270 31.386 31.823 -0.277 0.000 0.658 348 V HN 0.305 nan 8.190 nan 0.000 0.452 349 I N 0.704 121.285 120.570 0.018 0.000 2.502 349 I HA 0.239 4.408 4.170 -0.001 0.000 0.276 349 I C -2.033 174.099 176.117 0.024 0.000 1.057 349 I CA -1.561 59.743 61.300 0.007 0.000 1.163 349 I CB 2.005 39.980 38.000 -0.041 0.000 1.288 349 I HN 0.114 nan 8.210 nan 0.000 0.479 350 P HA -0.003 nan 4.420 nan 0.000 0.223 350 P C 0.052 177.383 177.300 0.051 0.000 1.151 350 P CA 1.223 64.368 63.100 0.074 0.000 0.787 350 P CB 0.383 32.154 31.700 0.118 0.000 0.788 351 D N -2.472 117.949 120.400 0.035 0.000 2.692 351 D HA 0.120 4.760 4.640 -0.001 0.000 0.303 351 D C -1.301 175.021 176.300 0.036 0.000 1.278 351 D CA -0.733 53.291 54.000 0.040 0.000 0.852 351 D CB 0.643 41.467 40.800 0.040 0.000 1.375 351 D HN -0.326 nan 8.370 nan 0.000 0.453 352 D N 0.629 121.066 120.400 0.062 0.000 2.531 352 D HA 0.056 4.696 4.640 -0.001 0.000 0.239 352 D C -1.436 174.880 176.300 0.026 0.000 1.144 352 D CA -0.465 53.583 54.000 0.080 0.000 0.869 352 D CB 1.138 41.982 40.800 0.075 0.000 1.160 352 D HN 0.010 nan 8.370 nan 0.000 0.484 353 P HA -0.240 nan 4.420 nan 0.000 0.216 353 P C 1.278 178.539 177.300 -0.064 0.000 1.154 353 P CA 1.056 64.134 63.100 -0.038 0.000 0.865 353 P CB 0.191 31.874 31.700 -0.029 0.000 0.789 354 Q N -0.678 119.103 119.800 -0.032 0.000 2.045 354 Q HA -0.185 4.155 4.340 -0.001 0.000 0.206 354 Q C 2.250 178.231 176.000 -0.031 0.000 0.991 354 Q CA 1.562 57.346 55.803 -0.032 0.000 0.851 354 Q CB -0.949 27.782 28.738 -0.011 0.000 0.911 354 Q HN 0.346 nan 8.270 nan 0.000 0.418 355 I N 0.568 121.130 120.570 -0.013 0.000 2.226 355 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 355 I C 2.345 178.450 176.117 -0.020 0.000 1.100 355 I CA 0.890 62.190 61.300 -0.001 0.000 1.374 355 I CB -0.329 37.681 38.000 0.015 0.000 1.057 355 I HN 0.154 nan 8.210 nan 0.000 0.413 356 L N -0.365 120.828 121.223 -0.050 0.000 2.083 356 L HA -0.235 4.105 4.340 -0.001 0.000 0.209 356 L C 2.632 179.407 176.870 -0.158 0.000 1.083 356 L CA 1.402 56.193 54.840 -0.081 0.000 0.752 356 L CB -0.477 41.523 42.059 -0.099 0.000 0.899 356 L HN 0.299 nan 8.230 nan 0.000 0.433 357 M N -0.691 118.752 119.600 -0.261 0.000 2.132 357 M HA -0.184 4.296 4.480 -0.001 0.000 0.263 357 M C 2.091 178.354 176.300 -0.061 0.000 1.065 357 M CA 1.656 56.693 55.300 -0.439 0.000 1.122 357 M CB -0.345 31.972 32.600 -0.472 0.000 1.365 357 M HN 0.204 nan 8.290 nan 0.000 0.411 358 E N 0.149 120.352 120.200 0.005 0.000 2.153 358 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 358 E C 1.900 178.567 176.600 0.112 0.000 0.988 358 E CA 0.951 57.403 56.400 0.087 0.000 0.811 358 E CB -0.083 29.655 29.700 0.064 0.000 0.746 358 E HN 0.580 nan 8.360 nan 0.000 0.466 359 Q N -0.824 119.018 119.800 0.070 0.000 2.378 359 Q HA 0.011 4.351 4.340 -0.001 0.000 0.205 359 Q C 0.947 177.011 176.000 0.108 0.000 0.954 359 Q CA 0.614 56.464 55.803 0.079 0.000 0.901 359 Q CB 0.599 29.372 28.738 0.058 0.000 0.981 359 Q HN 0.406 nan 8.270 nan 0.000 0.483 360 G N 1.108 109.998 108.800 0.150 0.000 2.134 360 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.209 360 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.209 360 G C 0.504 175.550 174.900 0.243 0.000 0.993 360 G CA 0.391 45.636 45.100 0.242 0.000 0.669 360 G HN 0.334 nan 8.290 nan 0.000 0.519 361 E N 0.546 120.844 120.200 0.163 0.000 2.118 361 E HA -0.104 4.245 4.350 -0.001 0.000 0.195 361 E C 2.054 178.855 176.600 0.335 0.000 0.992 361 E CA 2.164 58.658 56.400 0.157 0.000 0.804 361 E CB -0.369 29.344 29.700 0.021 0.000 0.741 361 E HN 0.925 nan 8.360 nan 0.000 0.458 362 F N -0.486 119.601 119.950 0.229 0.000 2.797 362 F HA 0.278 4.805 4.527 -0.001 0.000 0.302 362 F C 1.162 177.193 175.800 0.386 0.000 1.130 362 F CA -0.125 58.120 58.000 0.409 0.000 1.387 362 F CB -1.214 38.048 39.000 0.437 0.000 1.107 362 F HN -0.012 nan 8.300 nan 0.000 0.577 363 L N 1.250 122.697 121.223 0.373 0.000 2.275 363 L HA -0.175 4.165 4.340 -0.001 0.000 0.215 363 L C 1.651 178.495 176.870 -0.043 0.000 1.119 363 L CA 1.569 56.429 54.840 0.033 0.000 0.790 363 L CB -0.787 41.312 42.059 0.066 0.000 0.919 363 L HN 0.353 nan 8.230 nan 0.000 0.443 364 N N -1.875 116.724 118.700 -0.167 0.000 2.398 364 N HA -0.101 4.639 4.740 -0.001 0.000 0.188 364 N C -0.177 175.124 175.510 -0.348 0.000 1.122 364 N CA 0.028 52.892 53.050 -0.309 0.000 0.866 364 N CB -0.006 38.238 38.487 -0.404 0.000 0.970 364 N HN 0.143 nan 8.380 nan 0.000 0.462 365 Y N 0.636 121.054 120.300 0.196 0.000 2.342 365 Y HA 0.362 4.912 4.550 -0.001 0.000 0.334 365 Y C -0.154 175.901 175.900 0.259 0.000 1.067 365 Y CA -1.644 56.580 58.100 0.207 0.000 1.128 365 Y CB 0.631 39.247 38.460 0.259 0.000 1.200 365 Y HN -0.064 nan 8.280 nan 0.000 0.464 366 D N 3.366 123.976 120.400 0.349 0.000 2.351 366 D HA 0.350 4.989 4.640 -0.001 0.000 0.251 366 D C -0.398 176.159 176.300 0.429 0.000 1.137 366 D CA 0.344 54.562 54.000 0.363 0.000 0.879 366 D CB 0.784 41.723 40.800 0.231 0.000 1.181 366 D HN 0.385 nan 8.370 nan 0.000 0.448 367 I N 2.102 122.824 120.570 0.253 0.000 2.498 367 I HA 0.300 4.469 4.170 -0.001 0.000 0.290 367 I C -0.265 175.766 176.117 -0.143 0.000 1.032 367 I CA -0.729 60.565 61.300 -0.011 0.000 1.073 367 I CB 2.037 39.776 38.000 -0.434 0.000 1.251 367 I HN 0.119 nan 8.210 nan 0.000 0.426 368 M N 8.396 127.750 119.600 -0.409 0.000 2.294 368 M HA 0.716 5.196 4.480 -0.001 0.000 0.335 368 M C -1.727 174.400 176.300 -0.287 0.000 1.079 368 M CA -0.566 54.413 55.300 -0.536 0.000 0.982 368 M CB 1.740 33.631 32.600 -1.182 0.000 1.651 368 M HN 0.651 nan 8.290 nan 0.000 0.437 369 L N 2.470 123.558 121.223 -0.224 0.000 2.469 369 L HA 1.140 5.480 4.340 -0.001 0.000 0.256 369 L C -0.965 175.375 176.870 -0.884 0.000 1.006 369 L CA -0.543 54.106 54.840 -0.318 0.000 0.832 369 L CB 2.177 44.106 42.059 -0.216 0.000 1.421 369 L HN 0.793 nan 8.230 nan 0.000 0.410 370 G N 0.239 108.357 108.800 -1.137 0.000 2.430 370 G HA2 0.603 4.562 3.960 -0.001 0.000 0.300 370 G HA3 0.603 4.562 3.960 -0.001 0.000 0.300 370 G C -1.533 172.795 174.900 -0.953 0.000 1.330 370 G CA -0.015 43.963 45.100 -1.870 0.000 0.813 370 G HN 1.455 nan 8.290 nan 0.000 0.487 371 V N -2.591 116.905 119.914 -0.697 0.000 3.181 371 V HA 0.835 4.955 4.120 -0.001 0.000 0.308 371 V C -1.179 174.901 176.094 -0.022 0.000 1.214 371 V CA -1.481 60.709 62.300 -0.183 0.000 1.053 371 V CB 1.950 33.758 31.823 -0.026 0.000 1.069 371 V HN 0.686 nan 8.190 nan 0.000 0.441 372 N N 1.131 119.828 118.700 -0.005 0.000 2.466 372 N HA 0.354 5.093 4.740 -0.001 0.000 0.294 372 N C 0.648 176.114 175.510 -0.074 0.000 1.129 372 N CA -0.359 52.710 53.050 0.031 0.000 0.931 372 N CB 1.806 40.316 38.487 0.038 0.000 1.193 372 N HN 0.978 nan 8.380 nan 0.000 0.500 373 Q N 0.916 120.606 119.800 -0.183 0.000 2.135 373 Q HA -0.073 4.267 4.340 -0.001 0.000 0.204 373 Q C 0.194 176.153 176.000 -0.068 0.000 0.981 373 Q CA 1.521 57.175 55.803 -0.249 0.000 0.856 373 Q CB -0.057 28.309 28.738 -0.620 0.000 0.902 373 Q HN 0.769 nan 8.270 nan 0.000 0.425 374 G N -0.005 108.755 108.800 -0.067 0.000 4.951 374 G HA2 0.110 4.070 3.960 -0.001 0.000 0.282 374 G HA3 0.110 4.070 3.960 -0.001 0.000 0.282 374 G C 0.094 174.935 174.900 -0.097 0.000 1.301 374 G CA -0.414 44.674 45.100 -0.019 0.000 0.975 374 G HN 0.154 nan 8.290 nan 0.000 0.589 375 E N 0.860 120.899 120.200 -0.269 0.000 2.114 375 E HA -0.145 4.204 4.350 -0.001 0.000 0.199 375 E C 2.182 178.475 176.600 -0.513 0.000 1.008 375 E CA 1.474 57.478 56.400 -0.659 0.000 0.810 375 E CB -0.003 28.718 29.700 -1.631 0.000 0.739 375 E HN 0.426 nan 8.360 nan 0.000 0.456 376 G N 0.879 109.606 108.800 -0.122 0.000 3.383 376 G HA2 0.085 4.044 3.960 -0.001 0.000 0.251 376 G HA3 0.085 4.044 3.960 -0.001 0.000 0.251 376 G C 1.291 176.412 174.900 0.368 0.000 1.203 376 G CA -0.220 45.111 45.100 0.384 0.000 0.852 376 G HN 0.097 nan 8.290 nan 0.000 0.531 377 L N 0.491 121.838 121.223 0.207 0.000 2.034 377 L HA -0.157 4.183 4.340 -0.001 0.000 0.217 377 L C 2.557 179.576 176.870 0.248 0.000 1.077 377 L CA 1.965 56.938 54.840 0.223 0.000 0.769 377 L CB -0.111 42.005 42.059 0.096 0.000 0.890 377 L HN 0.072 nan 8.230 nan 0.000 0.435 378 K N -1.135 119.392 120.400 0.212 0.000 2.281 378 K HA -0.171 4.148 4.320 -0.001 0.000 0.203 378 K C 1.818 178.527 176.600 0.182 0.000 1.046 378 K CA 1.111 57.505 56.287 0.178 0.000 0.938 378 K CB -0.758 31.834 32.500 0.153 0.000 0.737 378 K HN 0.369 nan 8.250 nan 0.000 0.458 379 F N 0.411 120.362 119.950 0.002 0.000 2.192 379 F HA -0.187 4.340 4.527 -0.001 0.000 0.301 379 F C 1.426 177.193 175.800 -0.056 0.000 1.079 379 F CA 1.237 59.116 58.000 -0.202 0.000 1.303 379 F CB 0.053 38.865 39.000 -0.313 0.000 1.024 379 F HN -0.064 nan 8.300 nan 0.000 0.494 380 V N -2.712 117.249 119.914 0.078 0.000 3.444 380 V HA 0.201 4.320 4.120 -0.001 0.000 0.308 380 V C -0.069 176.046 176.094 0.035 0.000 1.371 380 V CA -0.438 61.863 62.300 0.003 0.000 1.141 380 V CB -1.096 30.769 31.823 0.069 0.000 1.037 380 V HN -0.096 nan 8.190 nan 0.000 0.433 381 D N 2.413 122.841 120.400 0.045 0.000 2.586 381 D HA 0.369 5.009 4.640 -0.001 0.000 0.234 381 D C 1.488 177.795 176.300 0.011 0.000 1.132 381 D CA 2.151 56.179 54.000 0.046 0.000 0.860 381 D CB 0.761 41.584 40.800 0.039 0.000 1.159 381 D HN 0.554 nan 8.370 nan 0.000 0.490 382 G N 2.741 111.556 108.800 0.025 0.000 2.498 382 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.229 382 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.229 382 G C 1.127 176.024 174.900 -0.006 0.000 1.156 382 G CA 0.319 45.423 45.100 0.006 0.000 0.680 382 G HN 0.673 nan 8.290 nan 0.000 0.512 383 I N 0.533 121.092 120.570 -0.019 0.000 3.684 383 I HA 0.496 4.666 4.170 -0.001 0.000 0.304 383 I C 0.379 176.476 176.117 -0.034 0.000 1.278 383 I CA -0.230 61.051 61.300 -0.032 0.000 1.272 383 I CB 0.029 38.002 38.000 -0.045 0.000 1.029 383 I HN 0.036 nan 8.210 nan 0.000 0.458 384 V N 4.182 124.086 119.914 -0.016 0.000 2.432 384 V HA 0.141 4.260 4.120 -0.001 0.000 0.275 384 V C -0.014 176.073 176.094 -0.013 0.000 1.043 384 V CA -0.648 61.627 62.300 -0.043 0.000 0.925 384 V CB 0.871 32.684 31.823 -0.016 0.000 0.985 384 V HN 0.417 nan 8.190 nan 0.000 0.466 385 D N 3.388 123.765 120.400 -0.039 0.000 2.433 385 D HA 0.055 4.695 4.640 -0.001 0.000 0.255 385 D C 1.034 177.340 176.300 0.009 0.000 1.226 385 D CA -0.374 53.617 54.000 -0.015 0.000 1.015 385 D CB 0.267 41.050 40.800 -0.028 0.000 1.091 385 D HN 0.541 nan 8.370 nan 0.000 0.527 386 N N -0.858 117.853 118.700 0.017 0.000 2.364 386 N HA -0.182 4.558 4.740 -0.001 0.000 0.183 386 N C 0.634 176.165 175.510 0.035 0.000 1.022 386 N CA 0.769 53.841 53.050 0.036 0.000 0.883 386 N CB -0.154 38.349 38.487 0.028 0.000 0.965 386 N HN 0.361 nan 8.380 nan 0.000 0.438 387 E N 0.484 120.687 120.200 0.005 0.000 2.437 387 E HA -0.019 4.330 4.350 -0.001 0.000 0.189 387 E C -0.432 176.142 176.600 -0.043 0.000 1.054 387 E CA 0.064 56.460 56.400 -0.006 0.000 0.874 387 E CB -0.109 29.580 29.700 -0.018 0.000 1.011 387 E HN 0.335 nan 8.360 nan 0.000 0.474 388 D N 0.082 120.443 120.400 -0.066 0.000 2.835 388 D HA -0.134 4.506 4.640 -0.001 0.000 0.230 388 D C 0.350 176.453 176.300 -0.329 0.000 1.130 388 D CA 1.368 55.220 54.000 -0.247 0.000 0.738 388 D CB -1.466 39.167 40.800 -0.278 0.000 1.090 388 D HN 0.359 nan 8.370 nan 0.000 0.433 389 G N -1.327 107.353 108.800 -0.201 0.000 2.569 389 G HA2 0.685 4.644 3.960 -0.001 0.000 0.300 389 G HA3 0.685 4.644 3.960 -0.001 0.000 0.300 389 G C -0.627 174.192 174.900 -0.135 0.000 1.269 389 G CA -0.539 44.457 45.100 -0.173 0.000 0.959 389 G HN 0.117 nan 8.290 nan 0.000 0.478 390 V N 0.183 120.031 119.914 -0.109 0.000 2.823 390 V HA 0.668 4.788 4.120 -0.001 0.000 0.312 390 V C 0.595 176.666 176.094 -0.038 0.000 1.072 390 V CA -0.608 61.657 62.300 -0.058 0.000 0.937 390 V CB 2.091 33.896 31.823 -0.030 0.000 1.013 390 V HN 1.134 nan 8.190 nan 0.000 0.430 391 T N 1.361 115.907 114.554 -0.014 0.000 2.902 391 T HA 0.382 4.731 4.350 -0.001 0.000 0.280 391 T C -1.943 172.773 174.700 0.026 0.000 0.992 391 T CA -1.830 60.264 62.100 -0.011 0.000 1.015 391 T CB 1.569 70.430 68.868 -0.013 0.000 1.044 391 T HN 0.435 nan 8.240 nan 0.000 0.520 392 P HA -0.102 nan 4.420 nan 0.000 0.218 392 P C 1.555 178.934 177.300 0.131 0.000 1.148 392 P CA 0.771 63.896 63.100 0.042 0.000 0.822 392 P CB -0.041 31.659 31.700 -0.001 0.000 0.784 393 N N -0.161 118.589 118.700 0.083 0.000 2.058 393 N HA -0.164 4.575 4.740 -0.001 0.000 0.191 393 N C 1.224 176.802 175.510 0.113 0.000 1.037 393 N CA 1.516 54.616 53.050 0.084 0.000 0.848 393 N CB -0.411 38.088 38.487 0.020 0.000 1.021 393 N HN -0.026 nan 8.380 nan 0.000 0.422 394 D N 0.344 120.792 120.400 0.080 0.000 2.104 394 D HA -0.172 4.467 4.640 -0.001 0.000 0.194 394 D C 1.714 178.112 176.300 0.163 0.000 0.994 394 D CA 0.726 54.781 54.000 0.091 0.000 0.830 394 D CB -0.720 40.103 40.800 0.040 0.000 0.959 394 D HN 0.308 nan 8.370 nan 0.000 0.452 395 F N 2.012 121.982 119.950 0.033 0.000 2.065 395 F HA -0.239 4.288 4.527 -0.001 0.000 0.298 395 F C 1.839 177.684 175.800 0.076 0.000 1.112 395 F CA 1.685 59.706 58.000 0.035 0.000 1.212 395 F CB -0.092 38.906 39.000 -0.003 0.000 0.975 395 F HN -0.194 nan 8.300 nan 0.000 0.476 396 D N -0.141 120.378 120.400 0.198 0.000 2.117 396 D HA -0.217 4.423 4.640 -0.001 0.000 0.197 396 D C 2.073 178.416 176.300 0.072 0.000 0.987 396 D CA 1.488 55.560 54.000 0.119 0.000 0.829 396 D CB -0.798 40.122 40.800 0.200 0.000 0.961 396 D HN 0.358 nan 8.370 nan 0.000 0.460 397 F N 1.283 121.218 119.950 -0.025 0.000 2.075 397 F HA -0.221 4.306 4.527 -0.001 0.000 0.297 397 F C 2.607 178.372 175.800 -0.058 0.000 1.113 397 F CA 1.693 59.676 58.000 -0.028 0.000 1.218 397 F CB -0.513 38.471 39.000 -0.026 0.000 0.984 397 F HN -0.108 nan 8.300 nan 0.000 0.472 398 S N -0.410 115.289 115.700 -0.002 0.000 2.359 398 S HA -0.165 4.304 4.470 -0.001 0.000 0.224 398 S C 2.121 176.667 174.600 -0.091 0.000 1.035 398 S CA 1.765 59.878 58.200 -0.144 0.000 1.018 398 S CB -0.865 62.214 63.200 -0.201 0.000 0.876 398 S HN 0.189 nan 8.310 nan 0.000 0.448 399 V N 1.153 120.947 119.914 -0.199 0.000 2.343 399 V HA -0.093 4.027 4.120 -0.001 0.000 0.247 399 V C 2.792 178.897 176.094 0.019 0.000 1.051 399 V CA 2.022 64.234 62.300 -0.146 0.000 1.036 399 V CB -1.114 30.490 31.823 -0.365 0.000 0.654 399 V HN 0.608 nan 8.190 nan 0.000 0.451 400 S N 0.402 116.068 115.700 -0.057 0.000 2.356 400 S HA -0.204 4.265 4.470 -0.001 0.000 0.223 400 S C 1.921 176.479 174.600 -0.069 0.000 1.032 400 S CA 1.853 60.025 58.200 -0.046 0.000 1.005 400 S CB -0.406 62.745 63.200 -0.082 0.000 0.867 400 S HN 0.663 nan 8.310 nan 0.000 0.449 401 N N 0.745 119.330 118.700 -0.191 0.000 2.166 401 N HA -0.059 4.681 4.740 -0.001 0.000 0.186 401 N C 1.420 176.973 175.510 0.073 0.000 1.019 401 N CA 1.132 54.083 53.050 -0.164 0.000 0.856 401 N CB -0.770 37.505 38.487 -0.353 0.000 0.993 401 N HN 0.561 nan 8.380 nan 0.000 0.426 402 F N 1.629 121.612 119.950 0.055 0.000 2.091 402 F HA -0.222 4.305 4.527 -0.001 0.000 0.299 402 F C 2.035 177.894 175.800 0.099 0.000 1.103 402 F CA 1.197 59.301 58.000 0.173 0.000 1.228 402 F CB -0.204 38.900 39.000 0.173 0.000 0.984 402 F HN -0.191 nan 8.300 nan 0.000 0.477 403 V N 0.607 120.717 119.914 0.327 0.000 2.358 403 V HA -0.282 3.837 4.120 -0.001 0.000 0.246 403 V C 2.031 178.136 176.094 0.019 0.000 1.047 403 V CA 2.142 64.582 62.300 0.233 0.000 1.035 403 V CB -0.766 31.184 31.823 0.212 0.000 0.658 403 V HN 0.309 nan 8.190 nan 0.000 0.452 404 D N 0.416 120.787 120.400 -0.049 0.000 2.123 404 D HA -0.167 4.472 4.640 -0.001 0.000 0.196 404 D C 1.984 178.183 176.300 -0.170 0.000 0.992 404 D CA 1.757 55.657 54.000 -0.166 0.000 0.833 404 D CB -0.396 40.331 40.800 -0.122 0.000 0.954 404 D HN 0.584 nan 8.370 nan 0.000 0.455 405 N N -0.765 117.874 118.700 -0.101 0.000 2.368 405 N HA 0.098 4.837 4.740 -0.001 0.000 0.176 405 N C 1.590 177.055 175.510 -0.074 0.000 1.021 405 N CA 0.227 53.239 53.050 -0.063 0.000 0.888 405 N CB 0.388 38.858 38.487 -0.028 0.000 0.995 405 N HN 0.081 nan 8.380 nan 0.000 0.437 406 L N -1.366 119.692 121.223 -0.274 0.000 2.515 406 L HA 0.163 4.503 4.340 -0.001 0.000 0.223 406 L C 0.801 177.241 176.870 -0.717 0.000 1.079 406 L CA 0.398 54.909 54.840 -0.549 0.000 0.857 406 L CB 0.278 41.699 42.059 -1.063 0.000 1.050 406 L HN 0.172 nan 8.230 nan 0.000 0.476 407 Y N -0.775 119.402 120.300 -0.205 0.000 2.535 407 Y HA 0.346 4.896 4.550 -0.001 0.000 0.264 407 Y C 1.852 177.651 175.900 -0.169 0.000 1.087 407 Y CA 0.421 58.440 58.100 -0.134 0.000 1.285 407 Y CB 0.375 38.793 38.460 -0.070 0.000 1.200 407 Y HN 0.135 nan 8.280 nan 0.000 0.514 408 G N 0.826 109.507 108.800 -0.197 0.000 2.720 408 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.293 408 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.293 408 G C -0.360 174.053 174.900 -0.811 0.000 1.256 408 G CA 0.629 45.450 45.100 -0.464 0.000 0.974 408 G HN 0.263 nan 8.290 nan 0.000 0.551 409 Y N 2.831 123.158 120.300 0.045 0.000 2.501 409 Y HA 0.495 5.045 4.550 -0.001 0.000 0.331 409 Y C -1.722 174.205 175.900 0.046 0.000 0.950 409 Y CA -0.863 57.262 58.100 0.042 0.000 1.120 409 Y CB 0.856 39.328 38.460 0.019 0.000 1.154 409 Y HN 0.522 nan 8.280 nan 0.000 0.630 410 P HA 0.175 nan 4.420 nan 0.000 0.278 410 P C -0.303 177.050 177.300 0.089 0.000 1.258 410 P CA -0.531 62.634 63.100 0.108 0.000 0.811 410 P CB 1.273 33.044 31.700 0.118 0.000 1.063 411 E N 0.087 120.330 120.200 0.071 0.000 2.585 411 E HA 0.212 4.562 4.350 -0.001 0.000 0.252 411 E C 0.734 177.362 176.600 0.047 0.000 0.981 411 E CA 0.898 57.332 56.400 0.056 0.000 0.943 411 E CB -0.518 29.210 29.700 0.046 0.000 0.923 411 E HN 0.810 nan 8.360 nan 0.000 0.486 412 G N 3.749 112.577 108.800 0.046 0.000 2.326 412 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.286 412 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.286 412 G C 0.667 175.587 174.900 0.034 0.000 1.096 412 G CA 0.528 45.650 45.100 0.037 0.000 1.003 412 G HN 0.625 nan 8.290 nan 0.000 0.503 413 K N -0.595 119.835 120.400 0.049 0.000 2.057 413 K HA -0.101 4.218 4.320 -0.001 0.000 0.206 413 K C 1.924 178.553 176.600 0.047 0.000 1.050 413 K CA 1.349 57.663 56.287 0.045 0.000 0.935 413 K CB -0.136 32.402 32.500 0.064 0.000 0.715 413 K HN 0.358 nan 8.250 nan 0.000 0.439 414 D N -0.115 120.318 120.400 0.055 0.000 2.117 414 D HA -0.117 4.523 4.640 -0.001 0.000 0.198 414 D C 1.548 177.881 176.300 0.056 0.000 0.982 414 D CA 1.238 55.273 54.000 0.058 0.000 0.828 414 D CB 0.030 40.863 40.800 0.055 0.000 0.967 414 D HN 0.171 nan 8.370 nan 0.000 0.464 415 T N 1.061 115.642 114.554 0.045 0.000 2.720 415 T HA -0.165 4.184 4.350 -0.001 0.000 0.268 415 T C 1.854 176.585 174.700 0.052 0.000 1.037 415 T CA 0.748 62.872 62.100 0.041 0.000 1.144 415 T CB -0.275 68.609 68.868 0.027 0.000 0.864 415 T HN 0.062 nan 8.240 nan 0.000 0.444 416 L N 1.365 122.609 121.223 0.035 0.000 2.017 416 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 416 L C 2.500 179.421 176.870 0.085 0.000 1.073 416 L CA 1.829 56.684 54.840 0.024 0.000 0.745 416 L CB -0.648 41.376 42.059 -0.059 0.000 0.894 416 L HN 0.091 nan 8.230 nan 0.000 0.432 417 R N -0.824 119.728 120.500 0.087 0.000 2.083 417 R HA -0.231 4.109 4.340 -0.001 0.000 0.237 417 R C 2.229 178.611 176.300 0.136 0.000 1.137 417 R CA 1.765 57.934 56.100 0.114 0.000 0.951 417 R CB -0.196 30.159 30.300 0.093 0.000 0.851 417 R HN 0.354 nan 8.270 nan 0.000 0.434 418 E N -0.368 119.909 120.200 0.128 0.000 2.058 418 E HA -0.131 4.219 4.350 -0.001 0.000 0.194 418 E C 1.829 178.549 176.600 0.199 0.000 0.997 418 E CA 2.208 58.701 56.400 0.154 0.000 0.801 418 E CB -0.227 29.539 29.700 0.109 0.000 0.746 418 E HN 0.364 nan 8.360 nan 0.000 0.450 419 T N 0.450 115.105 114.554 0.169 0.000 2.788 419 T HA -0.107 4.242 4.350 -0.001 0.000 0.268 419 T C 1.954 176.786 174.700 0.220 0.000 1.044 419 T CA 1.288 63.508 62.100 0.200 0.000 1.139 419 T CB -0.250 68.738 68.868 0.200 0.000 0.867 419 T HN 0.124 nan 8.240 nan 0.000 0.454 420 I N 0.681 121.397 120.570 0.243 0.000 2.179 420 I HA -0.173 3.997 4.170 -0.001 0.000 0.242 420 I C 2.638 178.908 176.117 0.254 0.000 1.088 420 I CA 1.323 62.762 61.300 0.232 0.000 1.357 420 I CB -0.296 37.848 38.000 0.239 0.000 1.051 420 I HN 0.159 nan 8.210 nan 0.000 0.409 421 K N 0.264 120.823 120.400 0.264 0.000 2.032 421 K HA -0.237 4.083 4.320 -0.001 0.000 0.209 421 K C 2.167 179.013 176.600 0.411 0.000 1.048 421 K CA 1.863 58.391 56.287 0.401 0.000 0.927 421 K CB -0.373 32.358 32.500 0.385 0.000 0.712 421 K HN 0.186 nan 8.250 nan 0.000 0.441 422 F N 1.611 121.719 119.950 0.262 0.000 2.095 422 F HA -0.236 4.290 4.527 -0.001 0.000 0.298 422 F C 2.130 178.056 175.800 0.210 0.000 1.104 422 F CA 1.449 59.646 58.000 0.329 0.000 1.232 422 F CB -0.090 39.024 39.000 0.189 0.000 0.987 422 F HN -0.068 nan 8.300 nan 0.000 0.475 423 M N -1.047 118.496 119.600 -0.095 0.000 2.213 423 M HA -0.191 4.288 4.480 -0.001 0.000 0.263 423 M C 1.149 177.112 176.300 -0.561 0.000 1.062 423 M CA 1.482 56.493 55.300 -0.483 0.000 1.105 423 M CB -1.392 30.684 32.600 -0.873 0.000 1.385 423 M HN 0.251 nan 8.290 nan 0.000 0.417 424 Y N -0.155 120.067 120.300 -0.129 0.000 2.625 424 Y HA 0.177 4.726 4.550 -0.001 0.000 0.285 424 Y C 0.370 176.194 175.900 -0.128 0.000 1.168 424 Y CA -0.226 57.859 58.100 -0.026 0.000 1.250 424 Y CB 0.055 38.598 38.460 0.138 0.000 1.130 424 Y HN -0.056 nan 8.280 nan 0.000 0.526 425 T N 0.217 114.563 114.554 -0.347 0.000 2.824 425 T HA 0.094 4.444 4.350 -0.001 0.000 0.280 425 T C -0.758 173.439 174.700 -0.839 0.000 0.995 425 T CA -0.683 60.936 62.100 -0.802 0.000 1.009 425 T CB 1.137 69.248 68.868 -1.262 0.000 0.955 425 T HN 0.006 nan 8.240 nan 0.000 0.452 426 D N 1.789 121.782 120.400 -0.678 0.000 2.441 426 D HA 0.152 4.792 4.640 -0.001 0.000 0.221 426 D C 0.065 176.090 176.300 -0.458 0.000 1.156 426 D CA -0.717 53.019 54.000 -0.440 0.000 0.896 426 D CB 0.302 40.944 40.800 -0.264 0.000 1.028 426 D HN 0.594 nan 8.370 nan 0.000 0.509 427 W N 2.690 123.876 121.300 -0.190 0.000 2.595 427 W HA 0.057 4.717 4.660 -0.001 0.000 0.257 427 W C 2.126 178.590 176.519 -0.092 0.000 1.267 427 W CA 0.265 57.527 57.345 -0.139 0.000 1.300 427 W CB 0.140 29.519 29.460 -0.135 0.000 1.120 427 W HN 0.557 nan 8.180 nan 0.000 0.618 428 A N -0.504 122.360 122.820 0.073 0.000 2.208 428 A HA -0.017 4.303 4.320 -0.001 0.000 0.209 428 A C 0.335 177.913 177.584 -0.010 0.000 1.161 428 A CA 1.276 53.334 52.037 0.035 0.000 0.782 428 A CB -0.080 18.930 19.000 0.016 0.000 0.816 428 A HN 0.097 nan 8.150 nan 0.000 0.477 429 D N -1.044 119.321 120.400 -0.059 0.000 3.595 429 D HA 0.027 4.666 4.640 -0.001 0.000 0.253 429 D C 0.746 176.959 176.300 -0.146 0.000 1.395 429 D CA 0.055 54.007 54.000 -0.080 0.000 0.820 429 D CB -0.298 40.459 40.800 -0.072 0.000 1.431 429 D HN 0.374 nan 8.370 nan 0.000 0.690 430 K N -0.434 119.870 120.400 -0.160 0.000 2.418 430 K HA 0.089 4.408 4.320 -0.001 0.000 0.195 430 K C 0.763 177.229 176.600 -0.223 0.000 1.035 430 K CA 0.546 56.665 56.287 -0.279 0.000 1.003 430 K CB 0.464 32.772 32.500 -0.319 0.000 0.793 430 K HN -0.087 nan 8.250 nan 0.000 0.494 431 E N 1.121 121.238 120.200 -0.138 0.000 2.474 431 E HA 0.079 4.429 4.350 -0.001 0.000 0.195 431 E C -0.440 176.096 176.600 -0.107 0.000 1.039 431 E CA -0.114 56.221 56.400 -0.109 0.000 0.881 431 E CB 0.215 29.876 29.700 -0.066 0.000 0.970 431 E HN 0.224 nan 8.360 nan 0.000 0.486 432 N N 1.278 119.906 118.700 -0.120 0.000 2.401 432 N HA 0.027 4.766 4.740 -0.001 0.000 0.255 432 N C -1.879 173.558 175.510 -0.122 0.000 1.110 432 N CA -1.570 51.417 53.050 -0.104 0.000 0.949 432 N CB 1.201 39.633 38.487 -0.093 0.000 1.110 432 N HN -0.083 nan 8.380 nan 0.000 0.490 433 P HA -0.048 nan 4.420 nan 0.000 0.222 433 P C 0.433 177.653 177.300 -0.134 0.000 1.153 433 P CA 1.124 64.155 63.100 -0.114 0.000 0.798 433 P CB 0.554 32.198 31.700 -0.093 0.000 0.796 434 E N -0.360 119.761 120.200 -0.132 0.000 2.107 434 E HA -0.074 4.275 4.350 -0.001 0.000 0.191 434 E C 1.896 178.414 176.600 -0.136 0.000 0.982 434 E CA 1.297 57.600 56.400 -0.162 0.000 0.809 434 E CB -0.762 28.862 29.700 -0.125 0.000 0.756 434 E HN 0.214 nan 8.360 nan 0.000 0.459 435 T N 1.062 115.551 114.554 -0.107 0.000 2.821 435 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 435 T C 1.826 176.463 174.700 -0.105 0.000 1.046 435 T CA 1.015 63.059 62.100 -0.093 0.000 1.139 435 T CB -0.118 68.689 68.868 -0.102 0.000 0.871 435 T HN 0.098 nan 8.240 nan 0.000 0.454 436 R N 0.855 121.270 120.500 -0.142 0.000 2.083 436 R HA -0.064 4.275 4.340 -0.001 0.000 0.237 436 R C 2.678 178.967 176.300 -0.018 0.000 1.137 436 R CA 1.293 57.310 56.100 -0.138 0.000 0.951 436 R CB -0.159 30.037 30.300 -0.173 0.000 0.851 436 R HN 0.228 nan 8.270 nan 0.000 0.434 437 R N 0.903 121.358 120.500 -0.075 0.000 2.096 437 R HA -0.198 4.142 4.340 -0.001 0.000 0.240 437 R C 1.959 178.247 176.300 -0.020 0.000 1.139 437 R CA 2.098 58.139 56.100 -0.099 0.000 0.952 437 R CB -0.106 30.006 30.300 -0.314 0.000 0.854 437 R HN 0.182 nan 8.270 nan 0.000 0.436 438 K N -0.594 119.793 120.400 -0.022 0.000 2.057 438 K HA -0.119 4.200 4.320 -0.001 0.000 0.207 438 K C 2.074 178.752 176.600 0.130 0.000 1.049 438 K CA 2.065 58.389 56.287 0.062 0.000 0.931 438 K CB -0.174 32.358 32.500 0.054 0.000 0.714 438 K HN 0.454 nan 8.250 nan 0.000 0.440 439 T N -0.520 114.114 114.554 0.133 0.000 2.951 439 T HA -0.065 4.285 4.350 -0.001 0.000 0.268 439 T C 1.765 176.642 174.700 0.295 0.000 1.073 439 T CA 0.533 62.777 62.100 0.241 0.000 1.134 439 T CB -0.048 68.947 68.868 0.211 0.000 0.884 439 T HN -0.060 nan 8.240 nan 0.000 0.479 440 L N 1.067 122.453 121.223 0.271 0.000 2.095 440 L HA 0.193 4.533 4.340 -0.001 0.000 0.204 440 L C 2.809 179.867 176.870 0.313 0.000 1.080 440 L CA 0.935 55.954 54.840 0.299 0.000 0.759 440 L CB -0.835 41.410 42.059 0.310 0.000 0.914 440 L HN 0.149 nan 8.230 nan 0.000 0.439 441 V N -0.178 119.909 119.914 0.288 0.000 2.332 441 V HA -0.329 3.791 4.120 -0.001 0.000 0.248 441 V C 2.732 178.952 176.094 0.209 0.000 1.055 441 V CA 1.645 64.115 62.300 0.283 0.000 1.038 441 V CB -1.257 30.722 31.823 0.261 0.000 0.651 441 V HN 0.526 nan 8.190 nan 0.000 0.450 442 A N -0.071 122.869 122.820 0.200 0.000 1.902 442 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 442 A C 2.173 179.853 177.584 0.161 0.000 1.181 442 A CA 2.145 54.318 52.037 0.227 0.000 0.623 442 A CB -0.628 18.561 19.000 0.314 0.000 0.818 442 A HN 0.468 nan 8.150 nan 0.000 0.443 443 L N -1.642 119.505 121.223 -0.126 0.000 1.990 443 L HA -0.156 4.184 4.340 -0.001 0.000 0.213 443 L C 2.174 178.830 176.870 -0.357 0.000 1.072 443 L CA 2.453 56.895 54.840 -0.664 0.000 0.755 443 L CB -0.910 40.608 42.059 -0.901 0.000 0.889 443 L HN 0.368 nan 8.230 nan 0.000 0.432 444 F N 0.017 119.639 119.950 -0.547 0.000 2.163 444 F HA -0.134 4.392 4.527 -0.001 0.000 0.297 444 F C 2.386 178.156 175.800 -0.050 0.000 1.094 444 F CA 1.839 59.518 58.000 -0.534 0.000 1.290 444 F CB -0.787 37.639 39.000 -0.957 0.000 1.017 444 F HN 0.104 nan 8.300 nan 0.000 0.483 445 T N -0.015 114.629 114.554 0.151 0.000 2.684 445 T HA -0.202 4.148 4.350 -0.001 0.000 0.267 445 T C 1.492 176.309 174.700 0.194 0.000 1.036 445 T CA 1.787 64.040 62.100 0.255 0.000 1.148 445 T CB -0.402 68.566 68.868 0.166 0.000 0.863 445 T HN 0.186 nan 8.240 nan 0.000 0.436 446 D N 0.012 120.493 120.400 0.135 0.000 2.097 446 D HA -0.110 4.530 4.640 -0.001 0.000 0.195 446 D C 1.935 178.166 176.300 -0.115 0.000 0.989 446 D CA 1.056 55.149 54.000 0.155 0.000 0.827 446 D CB -0.519 40.542 40.800 0.434 0.000 0.966 446 D HN 0.451 nan 8.370 nan 0.000 0.456 447 H N 0.384 119.159 119.070 -0.491 0.000 2.363 447 H HA -0.011 4.544 4.556 -0.001 0.000 0.301 447 H C 1.640 176.536 175.328 -0.721 0.000 1.074 447 H CA 1.122 56.649 56.048 -0.868 0.000 1.354 447 H CB 0.519 29.707 29.762 -0.956 0.000 1.397 447 H HN 0.065 nan 8.280 nan 0.000 0.516 448 Q N -1.143 118.217 119.800 -0.735 0.000 2.302 448 Q HA -0.060 4.280 4.340 -0.001 0.000 0.202 448 Q C 1.830 177.301 176.000 -0.883 0.000 0.936 448 Q CA 0.622 55.756 55.803 -1.115 0.000 0.886 448 Q CB 0.416 28.073 28.738 -1.802 0.000 0.986 448 Q HN 0.638 nan 8.270 nan 0.000 0.487 449 W N -1.006 120.114 121.300 -0.299 0.000 3.772 449 W HA 0.114 4.774 4.660 -0.001 0.000 0.224 449 W C 1.867 178.355 176.519 -0.053 0.000 1.009 449 W CA 0.009 57.275 57.345 -0.132 0.000 1.889 449 W CB -0.084 29.338 29.460 -0.064 0.000 0.909 449 W HN -0.179 nan 8.180 nan 0.000 0.794 450 V N 1.359 121.415 119.914 0.238 0.000 2.255 450 V HA -0.208 3.912 4.120 -0.001 0.000 0.243 450 V C 2.499 178.696 176.094 0.171 0.000 1.038 450 V CA 2.612 65.071 62.300 0.265 0.000 1.008 450 V CB -1.531 30.472 31.823 0.299 0.000 0.645 450 V HN 0.071 nan 8.190 nan 0.000 0.449 451 A N 1.220 124.085 122.820 0.074 0.000 1.883 451 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 451 A C 0.785 178.366 177.584 -0.005 0.000 1.186 451 A CA 2.153 54.221 52.037 0.052 0.000 0.624 451 A CB -1.975 17.056 19.000 0.052 0.000 0.822 451 A HN 0.587 nan 8.150 nan 0.000 0.444 452 P HA -0.113 nan 4.420 nan 0.000 0.218 452 P C 1.564 178.878 177.300 0.024 0.000 1.149 452 P CA 1.838 64.891 63.100 -0.079 0.000 0.817 452 P CB -0.156 31.428 31.700 -0.193 0.000 0.785 453 A N 0.097 122.972 122.820 0.091 0.000 1.902 453 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 453 A C 2.472 180.188 177.584 0.221 0.000 1.181 453 A CA 1.828 53.977 52.037 0.187 0.000 0.623 453 A CB -1.619 17.540 19.000 0.265 0.000 0.818 453 A HN 0.066 nan 8.150 nan 0.000 0.443 454 V N -0.184 119.806 119.914 0.126 0.000 2.427 454 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 454 V C 3.040 179.149 176.094 0.026 0.000 1.051 454 V CA 1.733 63.998 62.300 -0.058 0.000 1.048 454 V CB -1.204 30.567 31.823 -0.087 0.000 0.666 454 V HN 0.614 nan 8.190 nan 0.000 0.456 455 A N 0.061 122.918 122.820 0.061 0.000 1.883 455 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 455 A C 2.414 180.075 177.584 0.129 0.000 1.186 455 A CA 2.672 54.757 52.037 0.079 0.000 0.624 455 A CB -1.098 17.930 19.000 0.047 0.000 0.822 455 A HN 0.500 nan 8.150 nan 0.000 0.444 456 T N 0.447 115.088 114.554 0.144 0.000 2.652 456 T HA -0.102 4.247 4.350 -0.001 0.000 0.267 456 T C 2.233 177.087 174.700 0.257 0.000 1.039 456 T CA 1.938 64.186 62.100 0.247 0.000 1.153 456 T CB -0.595 68.400 68.868 0.211 0.000 0.863 456 T HN 0.639 nan 8.240 nan 0.000 0.428 457 A N 1.990 124.887 122.820 0.128 0.000 1.883 457 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 457 A C 2.154 179.854 177.584 0.193 0.000 1.186 457 A CA 1.918 53.976 52.037 0.035 0.000 0.624 457 A CB -0.750 18.032 19.000 -0.364 0.000 0.822 457 A HN 0.367 nan 8.150 nan 0.000 0.444 458 D N -0.042 120.487 120.400 0.216 0.000 2.117 458 D HA -0.105 4.534 4.640 -0.001 0.000 0.197 458 D C 1.938 178.322 176.300 0.141 0.000 0.987 458 D CA 1.087 55.216 54.000 0.215 0.000 0.829 458 D CB -0.365 40.525 40.800 0.150 0.000 0.961 458 D HN 0.447 nan 8.370 nan 0.000 0.460 459 L N -0.001 121.346 121.223 0.205 0.000 2.083 459 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 459 L C 2.496 179.552 176.870 0.309 0.000 1.083 459 L CA 1.001 56.002 54.840 0.268 0.000 0.752 459 L CB -0.371 41.909 42.059 0.368 0.000 0.899 459 L HN 0.225 nan 8.230 nan 0.000 0.433 460 H N -0.127 119.007 119.070 0.106 0.000 2.403 460 H HA -0.009 4.546 4.556 -0.001 0.000 0.298 460 H C 1.967 177.212 175.328 -0.139 0.000 1.059 460 H CA 1.257 57.110 56.048 -0.325 0.000 1.363 460 H CB 0.524 29.890 29.762 -0.661 0.000 1.410 460 H HN 0.315 nan 8.280 nan 0.000 0.528 461 A N 1.019 123.829 122.820 -0.017 0.000 2.218 461 A HA -0.055 4.265 4.320 -0.001 0.000 0.209 461 A C 2.246 179.746 177.584 -0.139 0.000 1.168 461 A CA 0.419 52.430 52.037 -0.042 0.000 0.804 461 A CB -0.273 18.803 19.000 0.127 0.000 0.834 461 A HN 0.688 nan 8.150 nan 0.000 0.482 462 Q N -1.487 118.167 119.800 -0.242 0.000 2.364 462 Q HA -0.123 4.217 4.340 -0.001 0.000 0.207 462 Q C 0.176 175.842 176.000 -0.556 0.000 0.970 462 Q CA 1.435 56.985 55.803 -0.422 0.000 0.888 462 Q CB -0.511 27.895 28.738 -0.552 0.000 0.951 462 Q HN 0.706 nan 8.270 nan 0.000 0.469 463 Y N -0.733 119.540 120.300 -0.045 0.000 2.706 463 Y HA 0.513 5.062 4.550 -0.001 0.000 0.255 463 Y C 1.045 176.907 175.900 -0.064 0.000 1.163 463 Y CA -0.500 57.573 58.100 -0.045 0.000 1.174 463 Y CB 1.175 39.613 38.460 -0.036 0.000 1.200 463 Y HN 0.201 nan 8.280 nan 0.000 0.544 464 G N -0.220 108.583 108.800 0.004 0.000 2.157 464 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.239 464 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.239 464 G C 0.112 174.987 174.900 -0.042 0.000 0.982 464 G CA 0.077 45.168 45.100 -0.015 0.000 0.650 464 G HN 0.218 nan 8.290 nan 0.000 0.527 465 S N 2.285 117.925 115.700 -0.101 0.000 2.531 465 S HA 0.455 4.924 4.470 -0.001 0.000 0.279 465 S C -1.937 172.624 174.600 -0.064 0.000 1.305 465 S CA -0.518 57.594 58.200 -0.146 0.000 1.058 465 S CB 1.191 64.125 63.200 -0.443 0.000 0.899 465 S HN 0.249 nan 8.310 nan 0.000 0.493 466 P HA 0.144 nan 4.420 nan 0.000 0.263 466 P C -0.813 176.560 177.300 0.121 0.000 1.195 466 P CA 0.170 63.302 63.100 0.052 0.000 0.762 466 P CB 0.337 32.133 31.700 0.160 0.000 0.799 467 T N 3.224 117.707 114.554 -0.119 0.000 2.971 467 T HA 0.491 4.840 4.350 -0.001 0.000 0.304 467 T C -1.201 173.272 174.700 -0.378 0.000 1.038 467 T CA -0.311 61.763 62.100 -0.044 0.000 1.007 467 T CB 0.716 69.691 68.868 0.177 0.000 1.055 467 T HN 0.089 nan 8.240 nan 0.000 0.451 468 Y N 1.361 121.620 120.300 -0.069 0.000 2.406 468 Y HA 0.690 5.239 4.550 -0.001 0.000 0.340 468 Y C -0.793 175.181 175.900 0.123 0.000 0.975 468 Y CA -1.232 56.792 58.100 -0.127 0.000 1.056 468 Y CB 1.725 39.670 38.460 -0.858 0.000 1.210 468 Y HN 0.699 nan 8.280 nan 0.000 0.448 469 F N 4.838 125.051 119.950 0.439 0.000 2.520 469 F HA 0.619 5.145 4.527 -0.001 0.000 0.322 469 F C -1.243 174.883 175.800 0.543 0.000 1.103 469 F CA -1.181 56.974 58.000 0.258 0.000 0.926 469 F CB 1.072 40.025 39.000 -0.079 0.000 1.154 469 F HN 0.441 nan 8.300 nan 0.000 0.453 470 Y N 2.930 123.207 120.300 -0.039 0.000 2.545 470 Y HA 0.885 5.434 4.550 -0.001 0.000 0.348 470 Y C -1.548 174.247 175.900 -0.174 0.000 1.002 470 Y CA -1.791 56.301 58.100 -0.013 0.000 1.039 470 Y CB 1.113 39.544 38.460 -0.048 0.000 1.271 470 Y HN 0.733 nan 8.280 nan 0.000 0.467 471 A N 3.653 126.560 122.820 0.144 0.000 2.318 471 A HA 0.654 4.973 4.320 -0.001 0.000 0.317 471 A C -2.066 175.705 177.584 0.310 0.000 1.159 471 A CA -0.557 51.493 52.037 0.021 0.000 0.799 471 A CB 0.393 19.176 19.000 -0.362 0.000 1.194 471 A HN 0.757 nan 8.150 nan 0.000 0.479 472 F N 2.484 122.528 119.950 0.156 0.000 2.404 472 F HA 0.524 5.051 4.527 -0.001 0.000 0.354 472 F C -0.094 175.699 175.800 -0.012 0.000 1.122 472 F CA -0.010 58.057 58.000 0.112 0.000 1.080 472 F CB 1.082 40.172 39.000 0.150 0.000 1.131 472 F HN 0.666 nan 8.300 nan 0.000 0.471 473 Y N 2.884 122.924 120.300 -0.432 0.000 2.481 473 Y HA 0.148 4.698 4.550 -0.001 0.000 0.247 473 Y C 0.082 175.914 175.900 -0.113 0.000 1.151 473 Y CA -0.310 57.665 58.100 -0.208 0.000 1.238 473 Y CB 0.075 38.350 38.460 -0.308 0.000 1.179 473 Y HN 0.542 nan 8.280 nan 0.000 0.524 474 H N 0.316 119.186 119.070 -0.333 0.000 2.499 474 H HA 0.425 4.981 4.556 -0.001 0.000 0.340 474 H C -0.827 174.604 175.328 0.171 0.000 1.148 474 H CA -0.972 54.962 56.048 -0.191 0.000 1.215 474 H CB 0.662 30.146 29.762 -0.463 0.000 1.529 474 H HN 0.259 nan 8.280 nan 0.000 0.510 475 H N 0.684 119.525 119.070 -0.381 0.000 2.961 475 H HA 0.428 4.984 4.556 -0.001 0.000 0.371 475 H C -0.490 174.724 175.328 -0.189 0.000 1.190 475 H CA -1.095 54.915 56.048 -0.063 0.000 1.138 475 H CB 0.111 29.883 29.762 0.017 0.000 1.816 475 H HN 0.825 nan 8.280 nan 0.000 0.551 476 c N 1.570 120.294 118.600 0.206 0.000 2.657 476 c HA 0.271 4.840 4.570 -0.001 0.000 0.404 476 c C 0.744 174.857 174.090 0.039 0.000 1.291 476 c CA -0.760 55.636 56.329 0.112 0.000 2.218 476 c CB 0.036 42.589 42.510 0.071 0.000 2.687 476 c HN 0.976 nan 8.230 nan 0.000 0.634 477 Q N 1.882 121.656 119.800 -0.043 0.000 2.244 477 Q HA 0.331 4.671 4.340 -0.001 0.000 0.278 477 Q C -0.472 175.497 176.000 -0.051 0.000 1.093 477 Q CA 0.709 56.494 55.803 -0.030 0.000 0.916 477 Q CB 0.425 29.134 28.738 -0.047 0.000 1.159 477 Q HN 0.951 nan 8.270 nan 0.000 0.384 478 S N 2.966 118.659 115.700 -0.012 0.000 2.672 478 S HA 0.072 4.542 4.470 -0.001 0.000 0.291 478 S C 0.383 174.955 174.600 -0.046 0.000 1.145 478 S CA -0.848 57.328 58.200 -0.040 0.000 1.013 478 S CB 1.439 64.623 63.200 -0.026 0.000 1.017 478 S HN 0.798 nan 8.310 nan 0.000 0.487 479 E N 3.133 123.303 120.200 -0.049 0.000 2.209 479 E HA -0.210 4.139 4.350 -0.001 0.000 0.196 479 E C 1.316 177.881 176.600 -0.058 0.000 0.993 479 E CA 1.250 57.621 56.400 -0.047 0.000 0.819 479 E CB -0.528 29.149 29.700 -0.039 0.000 0.745 479 E HN 0.754 nan 8.360 nan 0.000 0.477 480 M N 0.731 120.293 119.600 -0.063 0.000 2.254 480 M HA 0.055 4.534 4.480 -0.001 0.000 0.265 480 M C 1.177 177.413 176.300 -0.107 0.000 1.066 480 M CA 0.855 56.112 55.300 -0.072 0.000 1.123 480 M CB -0.392 32.168 32.600 -0.066 0.000 1.388 480 M HN -0.159 nan 8.290 nan 0.000 0.425 481 K N 2.253 122.576 120.400 -0.128 0.000 2.401 481 K HA 0.200 4.520 4.320 -0.001 0.000 0.278 481 K C -2.244 174.191 176.600 -0.275 0.000 1.018 481 K CA -1.309 54.852 56.287 -0.209 0.000 0.981 481 K CB 0.240 32.615 32.500 -0.209 0.000 0.933 481 K HN -0.056 nan 8.250 nan 0.000 0.477 482 P HA 0.089 nan 4.420 nan 0.000 0.275 482 P C 0.120 177.033 177.300 -0.644 0.000 1.228 482 P CA -0.177 62.528 63.100 -0.659 0.000 0.786 482 P CB 0.880 31.815 31.700 -1.276 0.000 0.927 483 S N 1.301 116.755 115.700 -0.409 0.000 2.370 483 S HA -0.129 4.340 4.470 -0.001 0.000 0.226 483 S C 1.375 175.923 174.600 -0.086 0.000 1.033 483 S CA 1.166 59.275 58.200 -0.151 0.000 1.011 483 S CB -0.653 62.550 63.200 0.006 0.000 0.852 483 S HN 0.720 nan 8.310 nan 0.000 0.457 484 W N 1.954 123.279 121.300 0.041 0.000 3.077 484 W HA 0.521 5.180 4.660 -0.001 0.000 0.245 484 W C 0.413 176.958 176.519 0.043 0.000 1.316 484 W CA -0.175 57.198 57.345 0.046 0.000 1.537 484 W CB -0.653 28.830 29.460 0.038 0.000 1.131 484 W HN 0.142 nan 8.180 nan 0.000 0.695 485 A N 2.445 125.146 122.820 -0.198 0.000 2.363 485 A HA 0.257 4.576 4.320 -0.001 0.000 0.270 485 A C 0.110 177.649 177.584 -0.076 0.000 1.121 485 A CA -0.279 51.655 52.037 -0.171 0.000 0.800 485 A CB 0.525 19.205 19.000 -0.533 0.000 1.052 485 A HN 0.043 nan 8.150 nan 0.000 0.493 486 D N 0.666 121.078 120.400 0.020 0.000 2.447 486 D HA 0.195 4.834 4.640 -0.001 0.000 0.265 486 D C 0.543 176.795 176.300 -0.080 0.000 1.250 486 D CA -0.012 54.016 54.000 0.047 0.000 1.046 486 D CB 0.500 41.349 40.800 0.082 0.000 1.095 486 D HN 0.455 nan 8.370 nan 0.000 0.555 487 S N -0.775 114.964 115.700 0.065 0.000 2.596 487 S HA 0.315 4.785 4.470 -0.001 0.000 0.298 487 S C -0.234 174.353 174.600 -0.021 0.000 1.255 487 S CA -0.429 57.819 58.200 0.079 0.000 1.083 487 S CB -0.257 63.055 63.200 0.187 0.000 0.837 487 S HN 0.431 nan 8.310 nan 0.000 0.499 488 A N 3.979 126.772 122.820 -0.044 0.000 2.284 488 A HA 0.561 4.880 4.320 -0.001 0.000 0.317 488 A C -0.468 177.092 177.584 -0.040 0.000 1.120 488 A CA -0.660 51.335 52.037 -0.071 0.000 0.900 488 A CB 0.102 19.044 19.000 -0.096 0.000 1.319 488 A HN 0.952 nan 8.150 nan 0.000 0.494 489 H N -0.637 118.303 119.070 -0.217 0.000 3.091 489 H HA 0.378 4.934 4.556 -0.001 0.000 0.289 489 H C 1.301 176.573 175.328 -0.094 0.000 0.995 489 H CA 1.415 57.322 56.048 -0.236 0.000 1.461 489 H CB 0.084 29.673 29.762 -0.288 0.000 1.510 489 H HN 1.451 nan 8.280 nan 0.000 0.546 490 G N 4.367 113.011 108.800 -0.260 0.000 2.176 490 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.232 490 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.232 490 G C 0.996 176.104 174.900 0.348 0.000 0.986 490 G CA 0.345 45.470 45.100 0.041 0.000 0.643 490 G HN 0.617 nan 8.290 nan 0.000 0.522 491 D N 0.810 121.331 120.400 0.202 0.000 2.347 491 D HA 0.052 4.692 4.640 -0.001 0.000 0.215 491 D C 2.363 178.787 176.300 0.207 0.000 0.976 491 D CA 1.056 55.227 54.000 0.285 0.000 0.884 491 D CB 0.027 40.994 40.800 0.278 0.000 0.915 491 D HN 0.690 nan 8.370 nan 0.000 0.526 492 E N 0.947 121.067 120.200 -0.134 0.000 2.285 492 E HA -0.077 4.272 4.350 -0.001 0.000 0.194 492 E C 1.884 178.353 176.600 -0.218 0.000 0.997 492 E CA 0.385 56.417 56.400 -0.613 0.000 0.845 492 E CB -0.509 28.598 29.700 -0.988 0.000 0.782 492 E HN 0.080 nan 8.360 nan 0.000 0.491 493 V N 2.609 122.510 119.914 -0.021 0.000 2.287 493 V HA -0.189 3.931 4.120 -0.001 0.000 0.248 493 V C -0.461 175.498 176.094 -0.224 0.000 1.053 493 V CA 2.376 64.668 62.300 -0.012 0.000 1.027 493 V CB -1.679 30.247 31.823 0.173 0.000 0.646 493 V HN 0.285 nan 8.190 nan 0.000 0.447 494 P HA -0.160 nan 4.420 nan 0.000 0.218 494 P C 1.235 178.099 177.300 -0.727 0.000 1.148 494 P CA 1.699 64.396 63.100 -0.671 0.000 0.822 494 P CB -0.122 31.263 31.700 -0.524 0.000 0.784 495 Y N -0.720 119.402 120.300 -0.297 0.000 2.243 495 Y HA -0.082 4.467 4.550 -0.001 0.000 0.293 495 Y C 2.582 178.182 175.900 -0.499 0.000 1.124 495 Y CA 0.558 58.459 58.100 -0.332 0.000 1.159 495 Y CB -1.551 36.819 38.460 -0.151 0.000 1.008 495 Y HN -0.290 nan 8.280 nan 0.000 0.527 496 V N -0.748 118.860 119.914 -0.510 0.000 2.332 496 V HA -0.296 3.823 4.120 -0.001 0.000 0.248 496 V C 1.410 177.026 176.094 -0.796 0.000 1.055 496 V CA 1.821 63.629 62.300 -0.821 0.000 1.038 496 V CB -0.661 30.626 31.823 -0.893 0.000 0.651 496 V HN 0.295 nan 8.190 nan 0.000 0.450 497 F N 0.115 119.812 119.950 -0.422 0.000 2.693 497 F HA 0.464 4.991 4.527 -0.001 0.000 0.303 497 F C 1.742 177.273 175.800 -0.449 0.000 1.097 497 F CA 0.407 58.157 58.000 -0.417 0.000 1.330 497 F CB -0.233 38.466 39.000 -0.502 0.000 1.067 497 F HN 0.237 nan 8.300 nan 0.000 0.565 498 G N 0.850 109.422 108.800 -0.380 0.000 2.198 498 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.260 498 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.260 498 G C 1.162 175.777 174.900 -0.474 0.000 1.025 498 G CA 0.568 45.416 45.100 -0.421 0.000 0.769 498 G HN 0.460 nan 8.290 nan 0.000 0.507 499 I N 0.229 120.433 120.570 -0.610 0.000 2.361 499 I HA -0.099 4.071 4.170 -0.001 0.000 0.251 499 I C 0.330 175.966 176.117 -0.801 0.000 1.133 499 I CA 1.335 62.230 61.300 -0.674 0.000 1.413 499 I CB -0.597 36.904 38.000 -0.832 0.000 1.073 499 I HN 0.172 nan 8.210 nan 0.000 0.424 500 P HA -0.145 nan 4.420 nan 0.000 0.221 500 P C 1.598 178.611 177.300 -0.478 0.000 1.145 500 P CA 1.470 63.926 63.100 -1.074 0.000 0.795 500 P CB -0.044 31.110 31.700 -0.910 0.000 0.775 501 M N -2.440 116.925 119.600 -0.392 0.000 2.514 501 M HA 0.037 4.517 4.480 -0.001 0.000 0.258 501 M C 1.860 178.054 176.300 -0.176 0.000 1.119 501 M CA 0.780 55.937 55.300 -0.239 0.000 1.111 501 M CB -0.382 32.085 32.600 -0.223 0.000 1.390 501 M HN -0.074 nan 8.290 nan 0.000 0.475 502 I N 0.389 120.838 120.570 -0.202 0.000 2.163 502 I HA -0.259 3.911 4.170 -0.001 0.000 0.243 502 I C 1.875 177.943 176.117 -0.082 0.000 1.085 502 I CA 1.906 63.124 61.300 -0.137 0.000 1.347 502 I CB -0.225 37.689 38.000 -0.145 0.000 1.044 502 I HN 0.547 nan 8.210 nan 0.000 0.408 503 G N -0.805 107.955 108.800 -0.067 0.000 4.142 503 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.131 503 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.131 503 G C -2.172 172.730 174.900 0.003 0.000 2.153 503 G CA -0.578 44.504 45.100 -0.031 0.000 0.993 503 G HN 0.175 nan 8.290 nan 0.000 0.294 504 P HA 0.302 nan 4.420 nan 0.000 0.271 504 P C 1.103 178.467 177.300 0.108 0.000 1.216 504 P CA 0.880 64.009 63.100 0.048 0.000 0.776 504 P CB 1.243 32.967 31.700 0.040 0.000 0.881 505 T N -1.595 113.015 114.554 0.094 0.000 2.867 505 T HA -0.143 4.207 4.350 -0.001 0.000 0.268 505 T C 0.649 175.387 174.700 0.064 0.000 1.057 505 T CA 0.806 62.981 62.100 0.126 0.000 1.136 505 T CB -0.305 68.602 68.868 0.064 0.000 0.874 505 T HN 0.532 nan 8.240 nan 0.000 0.466 506 E N 0.379 120.596 120.200 0.029 0.000 2.167 506 E HA 0.543 4.892 4.350 -0.001 0.000 0.247 506 E C -1.539 175.071 176.600 0.016 0.000 0.961 506 E CA -0.536 55.850 56.400 -0.023 0.000 0.797 506 E CB 0.122 29.809 29.700 -0.021 0.000 1.182 506 E HN 0.268 nan 8.360 nan 0.000 0.437 507 L N 3.355 124.599 121.223 0.035 0.000 2.465 507 L HA 0.400 4.740 4.340 -0.001 0.000 0.257 507 L C -0.574 176.414 176.870 0.196 0.000 0.988 507 L CA -0.418 54.495 54.840 0.121 0.000 0.827 507 L CB 1.445 43.610 42.059 0.175 0.000 1.397 507 L HN 0.612 nan 8.230 nan 0.000 0.410 508 F N 2.273 122.205 119.950 -0.030 0.000 3.074 508 F HA -0.314 4.212 4.527 -0.001 0.000 0.289 508 F C 0.994 176.791 175.800 -0.005 0.000 0.863 508 F CA 1.069 59.046 58.000 -0.038 0.000 1.121 508 F CB -1.266 37.690 39.000 -0.072 0.000 1.169 508 F HN 0.588 nan 8.300 nan 0.000 0.570 509 S N -1.919 113.786 115.700 0.009 0.000 3.635 509 S HA -0.242 4.227 4.470 -0.001 0.000 0.328 509 S C 0.143 174.704 174.600 -0.064 0.000 1.135 509 S CA 0.760 58.945 58.200 -0.024 0.000 0.942 509 S CB -1.936 61.260 63.200 -0.007 0.000 0.930 509 S HN 0.692 nan 8.310 nan 0.000 0.512 510 c N 1.399 119.890 118.600 -0.181 0.000 2.971 510 c HA 0.690 5.259 4.570 -0.001 0.000 0.310 510 c C 0.260 174.041 174.090 -0.514 0.000 1.285 510 c CA -0.874 55.182 56.329 -0.456 0.000 1.593 510 c CB 1.925 43.795 42.510 -1.067 0.000 2.076 510 c HN 0.613 nan 8.230 nan 0.000 0.472 511 N N 1.201 119.601 118.700 -0.500 0.000 2.682 511 N HA 0.427 5.167 4.740 -0.001 0.000 0.252 511 N C -1.518 173.832 175.510 -0.267 0.000 1.081 511 N CA -0.138 52.720 53.050 -0.320 0.000 0.844 511 N CB 0.483 38.884 38.487 -0.144 0.000 1.167 511 N HN 0.464 nan 8.380 nan 0.000 0.523 512 F N 0.941 120.895 119.950 0.006 0.000 2.418 512 F HA 0.231 4.757 4.527 -0.001 0.000 0.341 512 F C 1.636 177.448 175.800 0.019 0.000 1.120 512 F CA -0.304 57.703 58.000 0.011 0.000 1.232 512 F CB 0.866 39.847 39.000 -0.031 0.000 1.175 512 F HN 0.231 nan 8.300 nan 0.000 0.569 513 S N 1.300 117.157 115.700 0.263 0.000 2.766 513 S HA 0.501 4.970 4.470 -0.001 0.000 0.307 513 S C 0.591 175.260 174.600 0.114 0.000 1.121 513 S CA -0.876 57.413 58.200 0.148 0.000 0.980 513 S CB 1.702 64.975 63.200 0.121 0.000 1.159 513 S HN 0.489 nan 8.310 nan 0.000 0.546 514 K N 0.959 121.395 120.400 0.060 0.000 2.211 514 K HA 0.091 4.410 4.320 -0.001 0.000 0.203 514 K C 1.658 178.263 176.600 0.010 0.000 1.050 514 K CA 1.129 57.430 56.287 0.024 0.000 0.945 514 K CB -0.376 32.130 32.500 0.010 0.000 0.732 514 K HN 0.416 nan 8.250 nan 0.000 0.451 515 N N 1.253 119.965 118.700 0.018 0.000 2.166 515 N HA -0.137 4.603 4.740 -0.001 0.000 0.186 515 N C 1.010 176.511 175.510 -0.015 0.000 1.019 515 N CA 1.206 54.241 53.050 -0.025 0.000 0.856 515 N CB -0.208 38.252 38.487 -0.044 0.000 0.993 515 N HN 0.228 nan 8.380 nan 0.000 0.426 516 D N 0.452 120.923 120.400 0.119 0.000 2.117 516 D HA -0.074 4.565 4.640 -0.001 0.000 0.197 516 D C 2.066 178.427 176.300 0.101 0.000 0.987 516 D CA 0.567 54.735 54.000 0.280 0.000 0.829 516 D CB -0.130 40.945 40.800 0.458 0.000 0.961 516 D HN 0.016 nan 8.370 nan 0.000 0.460 517 V N 2.105 122.008 119.914 -0.019 0.000 2.295 517 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 517 V C 2.487 178.517 176.094 -0.107 0.000 1.049 517 V CA 1.496 63.729 62.300 -0.111 0.000 1.024 517 V CB -0.528 31.238 31.823 -0.095 0.000 0.648 517 V HN 0.269 nan 8.190 nan 0.000 0.447 518 M N 0.027 119.581 119.600 -0.076 0.000 2.080 518 M HA -0.184 4.295 4.480 -0.001 0.000 0.260 518 M C 2.212 178.444 176.300 -0.112 0.000 1.068 518 M CA 2.280 57.527 55.300 -0.089 0.000 1.109 518 M CB -0.690 31.863 32.600 -0.078 0.000 1.342 518 M HN 0.390 nan 8.290 nan 0.000 0.405 519 L N 0.517 121.674 121.223 -0.111 0.000 2.093 519 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 519 L C 2.560 179.385 176.870 -0.075 0.000 1.085 519 L CA 2.301 57.051 54.840 -0.149 0.000 0.755 519 L CB -1.111 40.770 42.059 -0.297 0.000 0.904 519 L HN 0.451 nan 8.230 nan 0.000 0.435 520 S N -0.766 114.946 115.700 0.020 0.000 2.370 520 S HA -0.198 4.272 4.470 -0.001 0.000 0.226 520 S C 2.144 176.571 174.600 -0.289 0.000 1.033 520 S CA 1.298 59.445 58.200 -0.088 0.000 1.011 520 S CB -0.456 62.611 63.200 -0.221 0.000 0.852 520 S HN 0.684 nan 8.310 nan 0.000 0.457 521 A N 0.660 123.290 122.820 -0.316 0.000 1.902 521 A HA 0.001 4.320 4.320 -0.001 0.000 0.217 521 A C 2.335 179.803 177.584 -0.193 0.000 1.181 521 A CA 1.704 53.504 52.037 -0.396 0.000 0.623 521 A CB -1.046 17.825 19.000 -0.215 0.000 0.818 521 A HN 0.435 nan 8.150 nan 0.000 0.443 522 V N -0.333 119.479 119.914 -0.169 0.000 2.287 522 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 522 V C 2.596 178.580 176.094 -0.183 0.000 1.053 522 V CA 2.158 64.332 62.300 -0.211 0.000 1.027 522 V CB -0.786 30.932 31.823 -0.175 0.000 0.646 522 V HN 0.380 nan 8.190 nan 0.000 0.447 523 V N -0.675 119.171 119.914 -0.113 0.000 2.295 523 V HA -0.314 3.805 4.120 -0.001 0.000 0.246 523 V C 2.351 178.391 176.094 -0.091 0.000 1.049 523 V CA 2.388 64.626 62.300 -0.103 0.000 1.024 523 V CB -0.555 31.073 31.823 -0.326 0.000 0.648 523 V HN 0.456 nan 8.190 nan 0.000 0.447 524 M N -0.634 118.858 119.600 -0.179 0.000 2.213 524 M HA -0.157 4.323 4.480 -0.001 0.000 0.263 524 M C 2.246 178.653 176.300 0.178 0.000 1.062 524 M CA 1.850 57.105 55.300 -0.074 0.000 1.105 524 M CB -0.721 31.748 32.600 -0.219 0.000 1.385 524 M HN 0.379 nan 8.290 nan 0.000 0.417 525 T N -0.150 114.512 114.554 0.180 0.000 2.674 525 T HA -0.164 4.186 4.350 -0.001 0.000 0.265 525 T C 1.517 176.332 174.700 0.191 0.000 1.039 525 T CA 1.420 63.614 62.100 0.158 0.000 1.150 525 T CB -0.391 68.496 68.868 0.031 0.000 0.864 525 T HN 0.247 nan 8.240 nan 0.000 0.427 526 Y N 0.082 120.547 120.300 0.275 0.000 2.097 526 Y HA -0.108 4.441 4.550 -0.001 0.000 0.282 526 Y C 2.423 178.518 175.900 0.324 0.000 1.152 526 Y CA 0.315 58.621 58.100 0.344 0.000 1.136 526 Y CB -0.812 38.007 38.460 0.598 0.000 0.975 526 Y HN 0.343 nan 8.280 nan 0.000 0.498 527 W N 0.447 121.853 121.300 0.177 0.000 2.355 527 W HA -0.245 4.414 4.660 -0.001 0.000 0.309 527 W C 2.508 179.041 176.519 0.024 0.000 1.206 527 W CA 2.097 59.462 57.345 0.034 0.000 1.284 527 W CB -0.604 28.798 29.460 -0.097 0.000 1.145 527 W HN 0.239 nan 8.180 nan 0.000 0.502 528 T N -2.304 112.396 114.554 0.242 0.000 2.896 528 T HA -0.123 4.227 4.350 -0.001 0.000 0.263 528 T C 1.427 176.179 174.700 0.086 0.000 1.050 528 T CA 1.173 63.345 62.100 0.119 0.000 1.140 528 T CB -0.610 68.321 68.868 0.104 0.000 0.877 528 T HN -0.104 nan 8.240 nan 0.000 0.457 529 N N 1.159 119.929 118.700 0.117 0.000 2.061 529 N HA -0.053 4.686 4.740 -0.001 0.000 0.193 529 N C 1.336 176.873 175.510 0.046 0.000 1.030 529 N CA 1.192 54.290 53.050 0.080 0.000 0.856 529 N CB -0.852 37.706 38.487 0.118 0.000 1.023 529 N HN 0.433 nan 8.380 nan 0.000 0.424 530 F N 1.574 121.462 119.950 -0.103 0.000 2.091 530 F HA -0.207 4.320 4.527 -0.001 0.000 0.299 530 F C 2.193 177.917 175.800 -0.126 0.000 1.103 530 F CA 1.633 59.514 58.000 -0.198 0.000 1.228 530 F CB -0.679 38.111 39.000 -0.350 0.000 0.984 530 F HN 0.073 nan 8.300 nan 0.000 0.477 531 A N -0.183 122.568 122.820 -0.114 0.000 1.940 531 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 531 A C 2.231 179.730 177.584 -0.142 0.000 1.176 531 A CA 2.032 53.976 52.037 -0.155 0.000 0.631 531 A CB -0.639 18.328 19.000 -0.055 0.000 0.814 531 A HN 0.511 nan 8.150 nan 0.000 0.446 532 K N -1.387 118.957 120.400 -0.093 0.000 2.076 532 K HA -0.041 4.279 4.320 -0.001 0.000 0.204 532 K C 1.808 178.355 176.600 -0.087 0.000 1.051 532 K CA 1.666 57.916 56.287 -0.063 0.000 0.949 532 K CB -0.025 32.458 32.500 -0.028 0.000 0.726 532 K HN 0.690 nan 8.250 nan 0.000 0.443 533 T N -5.122 109.358 114.554 -0.123 0.000 2.969 533 T HA 0.243 4.593 4.350 -0.001 0.000 0.258 533 T C 1.271 175.875 174.700 -0.159 0.000 0.962 533 T CA 0.343 62.380 62.100 -0.104 0.000 0.903 533 T CB 1.098 69.937 68.868 -0.048 0.000 1.177 533 T HN 0.258 nan 8.240 nan 0.000 0.511 534 G N 1.345 109.942 108.800 -0.338 0.000 2.157 534 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.248 534 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.248 534 G C -0.346 174.505 174.900 -0.082 0.000 0.979 534 G CA 0.191 45.021 45.100 -0.450 0.000 0.650 534 G HN 0.782 nan 8.290 nan 0.000 0.529 535 D N -0.238 120.128 120.400 -0.057 0.000 2.620 535 D HA 0.456 5.095 4.640 -0.001 0.000 0.252 535 D C -1.310 174.929 176.300 -0.102 0.000 1.207 535 D CA -1.764 52.202 54.000 -0.057 0.000 0.884 535 D CB 2.132 42.952 40.800 0.033 0.000 1.262 535 D HN 0.019 nan 8.370 nan 0.000 0.552 536 P HA -0.041 nan 4.420 nan 0.000 0.231 536 P C 0.466 177.893 177.300 0.213 0.000 1.158 536 P CA 0.516 63.572 63.100 -0.073 0.000 0.763 536 P CB 0.503 31.949 31.700 -0.424 0.000 0.805 537 N N -0.825 117.953 118.700 0.128 0.000 2.373 537 N HA 0.025 4.765 4.740 -0.001 0.000 0.181 537 N C 0.514 176.091 175.510 0.112 0.000 1.082 537 N CA 0.518 53.679 53.050 0.186 0.000 0.885 537 N CB 0.254 38.848 38.487 0.178 0.000 0.977 537 N HN 0.291 nan 8.380 nan 0.000 0.462 538 Q N 0.153 119.996 119.800 0.072 0.000 2.353 538 Q HA 0.341 4.681 4.340 -0.001 0.000 0.268 538 Q C -2.029 173.989 176.000 0.029 0.000 1.045 538 Q CA -1.627 54.203 55.803 0.045 0.000 0.811 538 Q CB 2.716 31.474 28.738 0.034 0.000 1.305 538 Q HN 0.003 nan 8.270 nan 0.000 0.447 539 P HA 0.068 nan 4.420 nan 0.000 0.259 539 P C 0.168 177.476 177.300 0.013 0.000 1.233 539 P CA 0.148 63.258 63.100 0.016 0.000 0.827 539 P CB 0.788 32.490 31.700 0.003 0.000 1.154 540 V N 4.363 124.284 119.914 0.011 0.000 2.432 540 V HA 0.247 4.367 4.120 -0.001 0.000 0.271 540 V C -1.665 174.430 176.094 0.002 0.000 1.046 540 V CA -1.399 60.898 62.300 -0.006 0.000 0.945 540 V CB 0.749 32.554 31.823 -0.031 0.000 0.992 540 V HN 0.112 nan 8.190 nan 0.000 0.471 558 A N 5.262 128.206 122.820 0.207 0.000 2.484 558 A HA 0.469 4.789 4.320 -0.001 0.000 0.268 558 A C -0.351 177.409 177.584 0.293 0.000 1.114 558 A CA 0.048 52.231 52.037 0.243 0.000 0.780 558 A CB -0.050 19.053 19.000 0.173 0.000 1.061 558 A HN 1.712 nan 8.150 nan 0.000 0.505 559 W N 4.802 126.163 121.300 0.101 0.000 2.367 559 W HA 0.427 5.086 4.660 -0.001 0.000 0.329 559 W C -0.525 176.107 176.519 0.189 0.000 1.066 559 W CA -1.066 56.304 57.345 0.042 0.000 1.435 559 W CB 0.230 29.567 29.460 -0.205 0.000 1.296 559 W HN 0.616 nan 8.180 nan 0.000 0.401 560 S N 5.191 121.212 115.700 0.535 0.000 2.576 560 S HA 0.322 4.791 4.470 -0.001 0.000 0.276 560 S C 0.417 175.231 174.600 0.356 0.000 1.339 560 S CA -0.510 57.910 58.200 0.366 0.000 1.039 560 S CB 0.867 64.202 63.200 0.225 0.000 0.902 560 S HN 0.393 nan 8.310 nan 0.000 0.516 561 R N 0.789 121.350 120.500 0.103 0.000 2.640 561 R HA 0.033 4.372 4.340 -0.001 0.000 0.270 561 R C -0.491 175.792 176.300 -0.029 0.000 1.024 561 R CA 0.103 56.064 56.100 -0.232 0.000 1.085 561 R CB 0.164 30.297 30.300 -0.279 0.000 0.963 561 R HN 0.626 nan 8.270 nan 0.000 0.426 562 Y N 3.688 123.899 120.300 -0.148 0.000 2.335 562 Y HA 0.122 4.671 4.550 -0.001 0.000 0.331 562 Y C -0.366 175.491 175.900 -0.072 0.000 1.094 562 Y CA -0.339 57.747 58.100 -0.024 0.000 1.253 562 Y CB 0.495 38.996 38.460 0.068 0.000 1.203 562 Y HN 0.708 nan 8.280 nan 0.000 0.508 563 N N 4.838 123.161 118.700 -0.630 0.000 2.357 563 N HA 0.491 5.230 4.740 -0.001 0.000 0.284 563 N C -2.890 172.184 175.510 -0.726 0.000 1.236 563 N CA -2.287 50.465 53.050 -0.496 0.000 0.774 563 N CB 1.997 40.338 38.487 -0.242 0.000 1.534 563 N HN 0.172 nan 8.380 nan 0.000 0.478 564 P HA -0.105 nan 4.420 nan 0.000 0.226 564 P C 0.745 177.922 177.300 -0.206 0.000 1.153 564 P CA 1.065 64.013 63.100 -0.253 0.000 0.777 564 P CB 0.346 31.994 31.700 -0.087 0.000 0.794 565 K N 0.083 120.368 120.400 -0.191 0.000 2.020 565 K HA -0.072 4.248 4.320 -0.001 0.000 0.206 565 K C 1.288 177.827 176.600 -0.102 0.000 1.038 565 K CA 1.301 57.531 56.287 -0.095 0.000 0.947 565 K CB -0.284 32.177 32.500 -0.065 0.000 0.744 565 K HN -0.070 nan 8.250 nan 0.000 0.442 566 D N 0.768 121.065 120.400 -0.171 0.000 2.249 566 D HA -0.065 4.574 4.640 -0.001 0.000 0.205 566 D C -0.035 176.042 176.300 -0.373 0.000 0.962 566 D CA 0.466 54.378 54.000 -0.147 0.000 0.860 566 D CB 0.211 40.962 40.800 -0.082 0.000 0.955 566 D HN 0.268 nan 8.370 nan 0.000 0.505 567 Q N 0.065 119.544 119.800 -0.536 0.000 2.451 567 Q HA -0.197 4.142 4.340 -0.001 0.000 0.305 567 Q C -0.809 175.116 176.000 -0.124 0.000 1.345 567 Q CA -0.042 55.396 55.803 -0.608 0.000 0.854 567 Q CB -1.125 27.225 28.738 -0.646 0.000 1.162 567 Q HN 0.169 nan 8.270 nan 0.000 0.440 568 L N 1.139 122.344 121.223 -0.030 0.000 2.380 568 L HA 0.378 4.718 4.340 -0.001 0.000 0.273 568 L C 0.076 177.211 176.870 0.441 0.000 1.138 568 L CA 0.139 55.076 54.840 0.162 0.000 0.832 568 L CB -0.069 42.052 42.059 0.103 0.000 1.124 568 L HN 0.222 nan 8.230 nan 0.000 0.454 569 Y N 1.633 122.116 120.300 0.305 0.000 2.562 569 Y HA 0.686 5.236 4.550 -0.001 0.000 0.345 569 Y C -1.244 174.753 175.900 0.161 0.000 1.045 569 Y CA -1.759 56.573 58.100 0.386 0.000 1.028 569 Y CB 1.189 39.913 38.460 0.440 0.000 1.297 569 Y HN 0.333 nan 8.280 nan 0.000 0.463 570 L N 3.703 124.911 121.223 -0.025 0.000 2.260 570 L HA 0.339 4.679 4.340 -0.001 0.000 0.289 570 L C -0.341 176.473 176.870 -0.093 0.000 1.057 570 L CA -0.241 54.339 54.840 -0.432 0.000 0.811 570 L CB 0.007 41.246 42.059 -1.368 0.000 1.184 570 L HN 0.893 nan 8.230 nan 0.000 0.429 571 H N 5.426 124.381 119.070 -0.191 0.000 2.944 571 H HA 0.347 4.903 4.556 -0.001 0.000 0.278 571 H C -0.633 174.611 175.328 -0.140 0.000 1.083 571 H CA -0.092 55.925 56.048 -0.051 0.000 1.479 571 H CB 0.223 29.884 29.762 -0.168 0.000 1.486 571 H HN 0.622 nan 8.280 nan 0.000 0.493 572 I N 6.312 126.729 120.570 -0.256 0.000 2.312 572 I HA 0.404 4.574 4.170 -0.001 0.000 0.290 572 I C 0.828 176.610 176.117 -0.558 0.000 1.008 572 I CA 0.116 61.222 61.300 -0.324 0.000 1.226 572 I CB 1.145 38.985 38.000 -0.265 0.000 1.371 572 I HN 0.828 nan 8.210 nan 0.000 0.468 573 G N 4.711 113.301 108.800 -0.349 0.000 2.664 573 G HA2 0.346 4.305 3.960 -0.001 0.000 0.303 573 G HA3 0.346 4.305 3.960 -0.001 0.000 0.303 573 G C 0.266 174.991 174.900 -0.293 0.000 1.243 573 G CA -0.652 44.239 45.100 -0.347 0.000 0.826 573 G HN 0.406 nan 8.290 nan 0.000 0.498 574 L N -0.663 120.392 121.223 -0.281 0.000 2.191 574 L HA 0.106 4.445 4.340 -0.001 0.000 0.212 574 L C 0.961 177.747 176.870 -0.141 0.000 1.103 574 L CA 1.072 55.757 54.840 -0.258 0.000 0.769 574 L CB -0.238 41.681 42.059 -0.232 0.000 0.908 574 L HN 0.181 nan 8.230 nan 0.000 0.438 575 K N 0.105 120.453 120.400 -0.087 0.000 2.499 575 K HA 0.284 4.603 4.320 -0.001 0.000 0.215 575 K C -2.449 174.127 176.600 -0.040 0.000 1.041 575 K CA -1.745 54.500 56.287 -0.071 0.000 1.031 575 K CB 0.948 33.395 32.500 -0.089 0.000 1.479 575 K HN -0.141 nan 8.250 nan 0.000 0.518 576 P HA 0.025 nan 4.420 nan 0.000 0.268 576 P C -0.965 176.318 177.300 -0.028 0.000 1.204 576 P CA -0.147 62.954 63.100 0.002 0.000 0.768 576 P CB 0.628 32.344 31.700 0.027 0.000 0.842 577 R N 0.571 121.038 120.500 -0.055 0.000 2.634 577 R HA 0.505 4.845 4.340 -0.001 0.000 0.263 577 R C -1.820 174.389 176.300 -0.153 0.000 1.060 577 R CA -1.015 55.022 56.100 -0.105 0.000 0.898 577 R CB 0.347 30.554 30.300 -0.155 0.000 1.253 577 R HN 0.053 nan 8.270 nan 0.000 0.461 578 V N 3.448 123.279 119.914 -0.138 0.000 2.530 578 V HA 0.388 4.508 4.120 -0.001 0.000 0.282 578 V C 0.272 176.220 176.094 -0.243 0.000 1.048 578 V CA -0.221 61.971 62.300 -0.180 0.000 0.997 578 V CB 0.865 32.655 31.823 -0.055 0.000 0.987 578 V HN 0.636 nan 8.190 nan 0.000 0.477 579 R N 3.015 123.227 120.500 -0.480 0.000 3.076 579 R HA 0.615 4.954 4.340 -0.001 0.000 0.239 579 R C -1.008 175.121 176.300 -0.285 0.000 1.392 579 R CA -0.763 55.098 56.100 -0.399 0.000 1.044 579 R CB 1.787 31.829 30.300 -0.430 0.000 1.389 579 R HN 0.926 nan 8.270 nan 0.000 0.498 580 D N -1.666 118.803 120.400 0.115 0.000 2.581 580 D HA 0.232 4.872 4.640 -0.001 0.000 0.232 580 D C -0.905 175.738 176.300 0.571 0.000 1.143 580 D CA -0.468 53.731 54.000 0.331 0.000 0.881 580 D CB 1.448 42.411 40.800 0.272 0.000 1.500 580 D HN 0.582 nan 8.370 nan 0.000 0.458 581 H N -1.049 118.241 119.070 0.367 0.000 2.680 581 H HA -0.228 4.327 4.556 -0.001 0.000 0.328 581 H C -0.992 174.481 175.328 0.241 0.000 1.139 581 H CA 0.429 56.618 56.048 0.235 0.000 1.124 581 H CB -2.174 27.674 29.762 0.142 0.000 1.584 581 H HN 0.372 nan 8.280 nan 0.000 0.410 582 Y N 2.223 122.558 120.300 0.059 0.000 2.729 582 Y HA -0.001 4.548 4.550 -0.001 0.000 0.331 582 Y C 0.978 176.882 175.900 0.007 0.000 1.208 582 Y CA 0.171 58.178 58.100 -0.155 0.000 1.521 582 Y CB 0.172 38.214 38.460 -0.698 0.000 1.233 582 Y HN 0.520 nan 8.280 nan 0.000 0.539 583 R N 3.185 123.477 120.500 -0.347 0.000 3.322 583 R HA -0.291 4.048 4.340 -0.001 0.000 0.253 583 R C 1.195 177.467 176.300 -0.047 0.000 0.987 583 R CA 0.402 56.346 56.100 -0.259 0.000 0.666 583 R CB -1.654 28.377 30.300 -0.448 0.000 1.072 583 R HN 0.806 nan 8.270 nan 0.000 0.447 584 A N -0.093 122.749 122.820 0.037 0.000 1.908 584 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 584 A C 2.088 179.715 177.584 0.072 0.000 1.181 584 A CA 2.042 54.138 52.037 0.098 0.000 0.627 584 A CB -0.262 18.830 19.000 0.153 0.000 0.818 584 A HN 0.488 nan 8.150 nan 0.000 0.445 585 T N -0.028 114.545 114.554 0.032 0.000 2.737 585 T HA -0.084 4.266 4.350 -0.001 0.000 0.265 585 T C 1.945 176.662 174.700 0.029 0.000 1.038 585 T CA 1.419 63.528 62.100 0.014 0.000 1.144 585 T CB -0.121 68.726 68.868 -0.034 0.000 0.866 585 T HN 0.330 nan 8.240 nan 0.000 0.434 586 K N 1.048 121.461 120.400 0.021 0.000 2.097 586 K HA 0.063 4.382 4.320 -0.001 0.000 0.205 586 K C 2.353 179.124 176.600 0.284 0.000 1.050 586 K CA 0.610 56.955 56.287 0.096 0.000 0.938 586 K CB -0.943 31.639 32.500 0.137 0.000 0.718 586 K HN 0.248 nan 8.250 nan 0.000 0.442 587 V N 1.632 121.687 119.914 0.236 0.000 2.307 587 V HA -0.209 3.911 4.120 -0.001 0.000 0.245 587 V C 2.462 178.681 176.094 0.209 0.000 1.045 587 V CA 1.915 64.370 62.300 0.259 0.000 1.024 587 V CB -0.780 31.138 31.823 0.158 0.000 0.651 587 V HN 0.270 nan 8.190 nan 0.000 0.449 588 A N -0.460 122.448 122.820 0.146 0.000 1.933 588 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 588 A C 2.092 179.731 177.584 0.092 0.000 1.175 588 A CA 1.982 54.083 52.037 0.106 0.000 0.628 588 A CB -0.705 18.347 19.000 0.088 0.000 0.814 588 A HN 0.526 nan 8.150 nan 0.000 0.444 589 F N -0.600 119.302 119.950 -0.080 0.000 2.046 589 F HA -0.205 4.322 4.527 -0.001 0.000 0.297 589 F C 2.000 177.684 175.800 -0.193 0.000 1.123 589 F CA 1.769 59.635 58.000 -0.223 0.000 1.199 589 F CB -0.767 37.980 39.000 -0.423 0.000 0.972 589 F HN 0.408 nan 8.300 nan 0.000 0.474 590 W N 0.211 121.478 121.300 -0.055 0.000 2.388 590 W HA -0.075 4.585 4.660 -0.001 0.000 0.294 590 W C 2.212 178.657 176.519 -0.125 0.000 1.212 590 W CA 0.764 58.032 57.345 -0.128 0.000 1.271 590 W CB -0.380 29.123 29.460 0.072 0.000 1.126 590 W HN 0.023 nan 8.180 nan 0.000 0.535 591 L N -0.740 120.561 121.223 0.130 0.000 2.354 591 L HA 0.063 4.403 4.340 -0.001 0.000 0.212 591 L C 1.878 178.728 176.870 -0.033 0.000 1.091 591 L CA 0.982 55.856 54.840 0.055 0.000 0.828 591 L CB -0.289 41.814 42.059 0.074 0.000 0.973 591 L HN 0.017 nan 8.230 nan 0.000 0.461 592 E N -0.605 119.545 120.200 -0.082 0.000 2.419 592 E HA -0.031 4.318 4.350 -0.001 0.000 0.197 592 E C 1.729 178.122 176.600 -0.345 0.000 0.920 592 E CA 0.047 56.362 56.400 -0.142 0.000 1.085 592 E CB 0.104 29.792 29.700 -0.021 0.000 1.084 592 E HN 0.063 nan 8.360 nan 0.000 0.490 593 L N 1.602 122.670 121.223 -0.258 0.000 2.005 593 L HA -0.093 4.246 4.340 -0.001 0.000 0.207 593 L C 2.206 178.828 176.870 -0.414 0.000 1.072 593 L CA 1.433 56.113 54.840 -0.267 0.000 0.744 593 L CB -0.351 41.650 42.059 -0.097 0.000 0.895 593 L HN -0.048 nan 8.230 nan 0.000 0.433 594 V N 0.526 120.136 119.914 -0.507 0.000 2.295 594 V HA -0.159 3.961 4.120 -0.001 0.000 0.246 594 V C -0.543 175.398 176.094 -0.255 0.000 1.049 594 V CA 1.905 63.944 62.300 -0.435 0.000 1.024 594 V CB -1.783 29.764 31.823 -0.459 0.000 0.648 594 V HN 0.366 nan 8.190 nan 0.000 0.447 595 P HA -0.102 nan 4.420 nan 0.000 0.249 595 P C 0.565 177.831 177.300 -0.058 0.000 1.227 595 P CA 1.418 64.434 63.100 -0.139 0.000 0.753 595 P CB -0.363 31.263 31.700 -0.123 0.000 0.966 596 H N -3.521 115.532 119.070 -0.030 0.000 2.927 596 H HA 0.140 4.695 4.556 -0.001 0.000 0.255 596 H C 0.704 176.017 175.328 -0.025 0.000 0.974 596 H CA -0.836 55.200 56.048 -0.020 0.000 1.199 596 H CB 0.134 29.885 29.762 -0.018 0.000 1.447 596 H HN -0.017 nan 8.280 nan 0.000 0.467 597 L N 0.000 121.244 121.223 0.036 0.000 2.949 597 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 597 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 597 L CB 0.000 42.024 42.059 -0.058 0.000 0.961 597 L HN 0.000 nan 8.230 nan 0.000 0.502