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 3no9_1_B DATA FIRST_RESID 8 DATA SEQUENCE ANYRIEHDTM GEVRVPAKAL WRAQTQRAVE NFPISGRGLE RTQIRALGLL DATA SEQUENCE KGACAQVNSD LGLLAPEKAD AIIAAAAEIA DGQHDDQFPI DVFQTGSGTS DATA SEQUENCE SNMNTNEVIA SIAAKGGVTL HPNDDVNMSQ SSNDTFPTAT HIAATEAAVA DATA SEQUENCE HLIPALQQLH DALAAKALDW HTVVKSGRTH LMDAVPVTLG QEFSGYARQI DATA SEQUENCE EAGIERVRAC LPRLGELAIG GTAVGTGLNA PDDFGVRVVA VLVAQTGLSE DATA SEQUENCE LRTAANSFEA QAARDGLVEA SGALRTIAVS LTKIANDIRW MGSGPLTGLA DATA SEQUENCE EIQLPDLQPX XXXXXGKVNP VLPEAVTQVA AQVIGNDAAI AWGGANGAFE DATA SEQUENCE LNVYIPMMAR NILESFKLLT NVSRLFAQRC IAGLTANVEH LRRLAESSPS DATA SEQUENCE IVTPLNSAIG YEEAAAVAKQ ALKERKTIRQ TVIDRGLIGD XLSIEDLDRR DATA SEQUENCE LDVLAMAKA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.530 177.584 -0.090 0.000 1.274 8 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 8 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 9 N N -0.810 117.837 118.700 -0.088 0.000 2.349 9 N HA 0.131 4.871 4.740 -0.000 0.000 0.180 9 N C -0.432 174.803 175.510 -0.458 0.000 1.024 9 N CA 1.480 54.387 53.050 -0.238 0.000 0.869 9 N CB 0.003 38.424 38.487 -0.111 0.000 1.022 9 N HN 0.575 nan 8.380 nan 0.000 0.433 10 Y N 1.090 121.372 120.300 -0.029 0.000 2.594 10 Y HA 0.398 4.948 4.550 -0.000 0.000 0.338 10 Y C -0.087 175.790 175.900 -0.039 0.000 1.019 10 Y CA -0.867 57.213 58.100 -0.032 0.000 1.306 10 Y CB 0.845 39.296 38.460 -0.014 0.000 1.094 10 Y HN -0.142 nan 8.280 nan 0.000 0.534 11 R N 2.733 123.256 120.500 0.038 0.000 2.638 11 R HA 0.219 4.559 4.340 -0.000 0.000 0.268 11 R C -0.773 175.550 176.300 0.040 0.000 1.006 11 R CA 0.428 56.533 56.100 0.008 0.000 1.088 11 R CB 0.371 30.640 30.300 -0.052 0.000 0.950 11 R HN 0.657 nan 8.270 nan 0.000 0.419 12 I N 3.169 123.753 120.570 0.023 0.000 2.362 12 I HA 0.189 4.359 4.170 -0.000 0.000 0.289 12 I C -0.156 175.965 176.117 0.007 0.000 0.994 12 I CA -0.546 60.768 61.300 0.024 0.000 1.158 12 I CB 1.821 39.832 38.000 0.019 0.000 1.315 12 I HN 0.622 nan 8.210 nan 0.000 0.451 13 E N 3.889 124.096 120.200 0.010 0.000 2.222 13 E HA 0.572 4.922 4.350 -0.000 0.000 0.272 13 E C -0.381 176.224 176.600 0.007 0.000 0.982 13 E CA -0.205 56.196 56.400 0.002 0.000 0.842 13 E CB 1.020 30.724 29.700 0.007 0.000 1.144 13 E HN 0.655 nan 8.360 nan 0.000 0.397 14 H N 1.235 120.305 119.070 0.001 0.000 2.525 14 H HA 0.576 5.131 4.556 -0.000 0.000 0.340 14 H C -0.953 174.376 175.328 0.002 0.000 1.168 14 H CA -0.654 55.395 56.048 0.001 0.000 1.247 14 H CB 1.491 31.251 29.762 -0.003 0.000 1.568 14 H HN 0.598 nan 8.280 nan 0.000 0.536 15 D N -0.606 119.796 120.400 0.003 0.000 2.601 15 D HA 0.209 4.848 4.640 -0.000 0.000 0.230 15 D C 1.742 178.044 176.300 0.003 0.000 1.106 15 D CA 0.361 54.364 54.000 0.004 0.000 0.873 15 D CB 1.895 42.700 40.800 0.008 0.000 1.515 15 D HN 0.570 nan 8.370 nan 0.000 0.468 16 T N -0.277 114.280 114.554 0.005 0.000 2.759 16 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 16 T C 1.549 176.251 174.700 0.004 0.000 1.042 16 T CA 1.006 63.110 62.100 0.007 0.000 1.140 16 T CB -0.074 68.802 68.868 0.013 0.000 0.864 16 T HN 0.360 nan 8.240 nan 0.000 0.455 17 M N 1.267 120.869 119.600 0.002 0.000 2.419 17 M HA 0.424 4.904 4.480 -0.000 0.000 0.252 17 M C 1.206 177.504 176.300 -0.004 0.000 1.143 17 M CA 0.275 55.574 55.300 -0.002 0.000 0.985 17 M CB -0.012 32.586 32.600 -0.004 0.000 1.489 17 M HN 0.696 nan 8.290 nan 0.000 0.484 18 G N 0.246 109.044 108.800 -0.003 0.000 2.491 18 G HA2 0.151 4.111 3.960 -0.000 0.000 0.183 18 G HA3 0.151 4.111 3.960 -0.000 0.000 0.183 18 G C -1.432 173.467 174.900 -0.002 0.000 1.221 18 G CA -0.725 44.373 45.100 -0.004 0.000 0.996 18 G HN 0.266 nan 8.290 nan 0.000 0.474 19 E N -1.512 118.687 120.200 -0.003 0.000 2.429 19 E HA 0.641 4.991 4.350 -0.000 0.000 0.276 19 E C -1.134 175.468 176.600 0.004 0.000 0.953 19 E CA -0.824 55.577 56.400 0.001 0.000 0.787 19 E CB 3.168 32.867 29.700 -0.001 0.000 1.307 19 E HN 1.037 nan 8.360 nan 0.000 0.458 20 V N -1.568 118.355 119.914 0.014 0.000 3.147 20 V HA 0.599 4.719 4.120 -0.000 0.000 0.306 20 V C -1.055 175.060 176.094 0.036 0.000 1.209 20 V CA -1.263 61.052 62.300 0.024 0.000 1.023 20 V CB 1.904 33.755 31.823 0.047 0.000 1.059 20 V HN 0.590 nan 8.190 nan 0.000 0.435 21 R N 1.451 121.974 120.500 0.038 0.000 2.215 21 R HA 0.680 5.020 4.340 -0.000 0.000 0.337 21 R C -0.504 175.905 176.300 0.181 0.000 1.010 21 R CA -0.435 55.709 56.100 0.073 0.000 0.871 21 R CB 1.709 31.980 30.300 -0.048 0.000 1.134 21 R HN 0.881 nan 8.270 nan 0.000 0.477 22 V N 1.212 121.223 119.914 0.161 0.000 2.532 22 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 22 V C -2.434 173.684 176.094 0.039 0.000 1.041 22 V CA -3.013 59.364 62.300 0.128 0.000 0.926 22 V CB 1.527 33.327 31.823 -0.038 0.000 0.992 22 V HN 0.483 nan 8.190 nan 0.000 0.457 23 P HA 0.087 nan 4.420 nan 0.000 0.266 23 P C 0.715 177.842 177.300 -0.289 0.000 1.186 23 P CA 0.889 63.855 63.100 -0.222 0.000 0.767 23 P CB 0.652 32.235 31.700 -0.196 0.000 0.820 24 A N 4.065 126.722 122.820 -0.271 0.000 1.972 24 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 24 A C 1.611 179.070 177.584 -0.209 0.000 1.169 24 A CA 1.908 53.821 52.037 -0.207 0.000 0.635 24 A CB -0.872 18.025 19.000 -0.173 0.000 0.810 24 A HN 0.632 nan 8.150 nan 0.000 0.446 25 K N -0.034 120.234 120.400 -0.220 0.000 2.476 25 K HA 0.510 4.830 4.320 -0.000 0.000 0.196 25 K C 0.295 176.733 176.600 -0.269 0.000 1.025 25 K CA 0.630 56.806 56.287 -0.186 0.000 1.138 25 K CB -0.260 32.166 32.500 -0.124 0.000 0.860 25 K HN 0.225 nan 8.250 nan 0.000 0.515 26 A N 1.033 123.577 122.820 -0.460 0.000 2.328 26 A HA 0.409 4.729 4.320 -0.000 0.000 0.284 26 A C 0.363 177.614 177.584 -0.555 0.000 1.160 26 A CA -0.719 50.839 52.037 -0.798 0.000 0.818 26 A CB 0.202 18.206 19.000 -1.659 0.000 1.087 26 A HN 0.407 nan 8.150 nan 0.000 0.504 27 L N 0.959 121.957 121.223 -0.374 0.000 2.592 27 L HA 0.128 4.467 4.340 -0.000 0.000 0.227 27 L C 0.732 177.523 176.870 -0.132 0.000 1.127 27 L CA -0.332 54.383 54.840 -0.208 0.000 0.884 27 L CB -0.347 41.629 42.059 -0.138 0.000 1.065 27 L HN 0.923 nan 8.230 nan 0.000 0.457 28 W N 0.701 121.924 121.300 -0.128 0.000 2.141 28 W HA 0.593 5.253 4.660 -0.000 0.000 0.354 28 W C 0.269 176.741 176.519 -0.079 0.000 1.297 28 W CA -1.126 56.140 57.345 -0.132 0.000 1.380 28 W CB 0.297 29.669 29.460 -0.147 0.000 1.168 28 W HN -0.246 nan 8.180 nan 0.000 0.639 29 R N 0.212 120.885 120.500 0.288 0.000 3.150 29 R HA 0.624 4.964 4.340 -0.000 0.000 0.236 29 R C 1.457 177.888 176.300 0.217 0.000 1.469 29 R CA -0.490 55.705 56.100 0.157 0.000 1.045 29 R CB 0.497 30.828 30.300 0.051 0.000 1.481 29 R HN 0.607 nan 8.270 nan 0.000 0.506 30 A N 0.852 123.738 122.820 0.111 0.000 1.884 30 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 30 A C 1.912 179.545 177.584 0.082 0.000 1.197 30 A CA 1.691 53.784 52.037 0.093 0.000 0.637 30 A CB -0.690 18.337 19.000 0.044 0.000 0.827 30 A HN 0.584 nan 8.150 nan 0.000 0.450 31 Q N -0.782 119.053 119.800 0.057 0.000 2.077 31 Q HA -0.170 4.169 4.340 -0.000 0.000 0.206 31 Q C 2.269 178.283 176.000 0.025 0.000 0.989 31 Q CA 2.199 58.024 55.803 0.037 0.000 0.853 31 Q CB -1.248 27.509 28.738 0.032 0.000 0.907 31 Q HN 0.721 nan 8.270 nan 0.000 0.418 32 T N 1.158 115.728 114.554 0.027 0.000 2.708 32 T HA -0.190 4.160 4.350 -0.000 0.000 0.266 32 T C 1.874 176.489 174.700 -0.142 0.000 1.037 32 T CA 1.643 63.687 62.100 -0.093 0.000 1.146 32 T CB -0.159 68.600 68.868 -0.181 0.000 0.865 32 T HN 0.212 nan 8.240 nan 0.000 0.435 33 Q N 0.730 120.546 119.800 0.027 0.000 2.124 33 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 33 Q C 2.381 178.392 176.000 0.018 0.000 0.977 33 Q CA 1.303 57.158 55.803 0.086 0.000 0.850 33 Q CB -0.046 28.854 28.738 0.270 0.000 0.901 33 Q HN 0.201 nan 8.270 nan 0.000 0.429 34 R N -0.268 120.236 120.500 0.008 0.000 2.073 34 R HA -0.025 4.315 4.340 -0.000 0.000 0.234 34 R C 2.147 178.402 176.300 -0.076 0.000 1.134 34 R CA 1.352 57.432 56.100 -0.032 0.000 0.952 34 R CB -1.233 29.051 30.300 -0.028 0.000 0.850 34 R HN 0.381 nan 8.270 nan 0.000 0.433 35 A N 0.735 123.530 122.820 -0.040 0.000 1.978 35 A HA -0.106 4.213 4.320 -0.000 0.000 0.220 35 A C 2.476 180.072 177.584 0.020 0.000 1.170 35 A CA 1.480 53.528 52.037 0.019 0.000 0.636 35 A CB -0.495 18.580 19.000 0.126 0.000 0.810 35 A HN 0.115 nan 8.150 nan 0.000 0.448 36 V N -0.182 119.703 119.914 -0.048 0.000 2.427 36 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 36 V C 2.321 178.393 176.094 -0.037 0.000 1.051 36 V CA 2.272 64.542 62.300 -0.050 0.000 1.048 36 V CB -0.682 31.074 31.823 -0.112 0.000 0.666 36 V HN 0.661 nan 8.190 nan 0.000 0.456 37 E N 0.052 120.213 120.200 -0.065 0.000 2.216 37 E HA -0.122 4.227 4.350 -0.000 0.000 0.192 37 E C 1.891 178.398 176.600 -0.154 0.000 0.988 37 E CA 1.108 57.461 56.400 -0.077 0.000 0.834 37 E CB -0.154 29.508 29.700 -0.063 0.000 0.772 37 E HN 0.707 nan 8.360 nan 0.000 0.479 38 N N -0.404 118.119 118.700 -0.294 0.000 2.354 38 N HA -0.024 4.715 4.740 -0.000 0.000 0.179 38 N C -0.229 174.859 175.510 -0.704 0.000 1.021 38 N CA 0.466 53.168 53.050 -0.581 0.000 0.887 38 N CB 0.297 38.245 38.487 -0.899 0.000 0.974 38 N HN 0.023 nan 8.380 nan 0.000 0.437 39 F N 0.462 120.405 119.950 -0.011 0.000 2.597 39 F HA 0.322 4.849 4.527 -0.000 0.000 0.336 39 F C -2.330 173.478 175.800 0.013 0.000 1.432 39 F CA -2.308 55.695 58.000 0.005 0.000 1.120 39 F CB 0.895 39.903 39.000 0.013 0.000 1.253 39 F HN -0.178 nan 8.300 nan 0.000 0.546 40 P HA 0.265 nan 4.420 nan 0.000 0.238 40 P C 0.578 177.928 177.300 0.083 0.000 1.794 40 P CA 0.469 63.617 63.100 0.080 0.000 1.088 40 P CB 0.502 32.222 31.700 0.033 0.000 1.923 41 I N 1.005 121.647 120.570 0.119 0.000 3.345 41 I HA -0.050 4.119 4.170 -0.000 0.000 0.258 41 I C 2.056 178.211 176.117 0.064 0.000 1.134 41 I CA 0.881 62.230 61.300 0.081 0.000 1.457 41 I CB -0.022 38.041 38.000 0.105 0.000 1.425 41 I HN 0.175 nan 8.210 nan 0.000 0.461 42 S N -0.199 115.589 115.700 0.146 0.000 2.539 42 S HA 0.258 4.728 4.470 -0.000 0.000 0.226 42 S C 1.653 176.318 174.600 0.109 0.000 1.054 42 S CA 0.586 58.875 58.200 0.148 0.000 0.910 42 S CB 0.963 64.359 63.200 0.327 0.000 0.818 42 S HN 0.557 nan 8.310 nan 0.000 0.490 43 G N 1.684 110.545 108.800 0.102 0.000 2.148 43 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 43 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 43 G C -0.014 174.926 174.900 0.066 0.000 0.981 43 G CA 0.361 45.504 45.100 0.073 0.000 0.670 43 G HN 0.828 nan 8.290 nan 0.000 0.528 44 R N 0.126 120.672 120.500 0.076 0.000 2.480 44 R HA 0.614 4.954 4.340 -0.000 0.000 0.306 44 R C 0.806 177.124 176.300 0.030 0.000 0.958 44 R CA 0.101 56.233 56.100 0.052 0.000 0.861 44 R CB 0.899 31.233 30.300 0.057 0.000 1.171 44 R HN 0.295 nan 8.270 nan 0.000 0.445 45 G N 3.217 112.032 108.800 0.024 0.000 2.736 45 G HA2 0.327 4.287 3.960 -0.000 0.000 0.229 45 G HA3 0.327 4.287 3.960 -0.000 0.000 0.229 45 G C -0.377 174.528 174.900 0.009 0.000 1.380 45 G CA -0.961 44.150 45.100 0.018 0.000 1.040 45 G HN 0.464 nan 8.290 nan 0.000 0.568 46 L N 0.870 122.110 121.223 0.028 0.000 2.456 46 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 46 L C 0.484 177.338 176.870 -0.027 0.000 1.189 46 L CA -0.497 54.345 54.840 0.004 0.000 0.846 46 L CB 0.563 42.624 42.059 0.004 0.000 1.111 46 L HN 0.347 nan 8.230 nan 0.000 0.475 47 E N 2.347 122.521 120.200 -0.043 0.000 2.398 47 E HA 0.036 4.386 4.350 -0.000 0.000 0.263 47 E C 1.021 177.570 176.600 -0.086 0.000 1.046 47 E CA 0.018 56.386 56.400 -0.053 0.000 0.908 47 E CB 0.756 30.427 29.700 -0.049 0.000 0.963 47 E HN 0.399 nan 8.360 nan 0.000 0.431 48 R N 0.571 121.025 120.500 -0.076 0.000 2.113 48 R HA -0.188 4.151 4.340 -0.000 0.000 0.244 48 R C 2.144 178.377 176.300 -0.113 0.000 1.142 48 R CA 2.036 58.080 56.100 -0.093 0.000 0.953 48 R CB -0.489 29.772 30.300 -0.065 0.000 0.860 48 R HN 0.503 nan 8.270 nan 0.000 0.438 49 T N -0.034 114.458 114.554 -0.104 0.000 2.849 49 T HA -0.202 4.148 4.350 -0.000 0.000 0.270 49 T C 1.810 176.435 174.700 -0.126 0.000 1.066 49 T CA 1.426 63.461 62.100 -0.109 0.000 1.130 49 T CB 0.002 68.803 68.868 -0.111 0.000 0.864 49 T HN 0.299 nan 8.240 nan 0.000 0.481 50 Q N -0.617 119.099 119.800 -0.139 0.000 2.163 50 Q HA 0.124 4.464 4.340 -0.000 0.000 0.198 50 Q C 2.252 178.127 176.000 -0.208 0.000 0.954 50 Q CA 0.831 56.531 55.803 -0.170 0.000 0.851 50 Q CB -0.036 28.613 28.738 -0.149 0.000 0.928 50 Q HN 0.585 nan 8.270 nan 0.000 0.459 51 I N 0.261 120.675 120.570 -0.260 0.000 2.252 51 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 51 I C 2.587 178.544 176.117 -0.268 0.000 1.102 51 I CA 1.144 62.188 61.300 -0.427 0.000 1.385 51 I CB -0.322 37.322 38.000 -0.593 0.000 1.064 51 I HN 0.188 nan 8.210 nan 0.000 0.414 52 R N 1.639 122.036 120.500 -0.172 0.000 2.083 52 R HA -0.208 4.131 4.340 -0.000 0.000 0.237 52 R C 2.332 178.582 176.300 -0.084 0.000 1.137 52 R CA 1.845 57.886 56.100 -0.099 0.000 0.951 52 R CB -0.336 29.920 30.300 -0.073 0.000 0.851 52 R HN 0.336 nan 8.270 nan 0.000 0.434 53 A N 1.100 123.857 122.820 -0.105 0.000 1.933 53 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 53 A C 2.234 179.771 177.584 -0.078 0.000 1.175 53 A CA 1.168 53.149 52.037 -0.093 0.000 0.628 53 A CB -0.476 18.452 19.000 -0.120 0.000 0.814 53 A HN 0.385 nan 8.150 nan 0.000 0.444 54 L N -0.723 120.445 121.223 -0.091 0.000 2.083 54 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 54 L C 2.827 179.703 176.870 0.010 0.000 1.083 54 L CA 1.060 55.880 54.840 -0.033 0.000 0.752 54 L CB -0.705 41.344 42.059 -0.015 0.000 0.899 54 L HN 0.499 nan 8.230 nan 0.000 0.433 55 G N 0.105 108.903 108.800 -0.003 0.000 2.459 55 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 55 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 55 G C 1.575 176.488 174.900 0.020 0.000 1.183 55 G CA 0.754 45.873 45.100 0.030 0.000 0.776 55 G HN 0.232 nan 8.290 nan 0.000 0.552 56 L N -0.347 120.874 121.223 -0.003 0.000 1.990 56 L HA -0.121 4.218 4.340 -0.000 0.000 0.213 56 L C 2.744 179.611 176.870 -0.005 0.000 1.072 56 L CA 0.913 55.748 54.840 -0.008 0.000 0.755 56 L CB -0.601 41.443 42.059 -0.024 0.000 0.889 56 L HN 0.227 nan 8.230 nan 0.000 0.432 57 L N -0.225 120.995 121.223 -0.006 0.000 2.017 57 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 57 L C 2.612 179.500 176.870 0.031 0.000 1.073 57 L CA 1.840 56.681 54.840 0.003 0.000 0.745 57 L CB -0.614 41.448 42.059 0.004 0.000 0.894 57 L HN 0.077 nan 8.230 nan 0.000 0.432 58 K N -0.081 120.349 120.400 0.050 0.000 2.063 58 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 58 K C 2.054 178.689 176.600 0.060 0.000 1.048 58 K CA 1.328 57.657 56.287 0.071 0.000 0.928 58 K CB -1.258 31.291 32.500 0.082 0.000 0.713 58 K HN 0.536 nan 8.250 nan 0.000 0.442 59 G N 1.118 109.943 108.800 0.042 0.000 2.459 59 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 59 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 59 G C 1.735 176.646 174.900 0.018 0.000 1.183 59 G CA 1.431 46.550 45.100 0.032 0.000 0.776 59 G HN 0.391 nan 8.290 nan 0.000 0.552 60 A N -0.084 122.735 122.820 -0.002 0.000 1.908 60 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 60 A C 2.596 180.155 177.584 -0.042 0.000 1.181 60 A CA 1.889 53.904 52.037 -0.035 0.000 0.627 60 A CB -1.063 17.899 19.000 -0.063 0.000 0.818 60 A HN 0.434 nan 8.150 nan 0.000 0.445 61 C N -1.177 118.127 119.300 0.007 0.000 2.429 61 C HA 0.043 4.503 4.460 -0.000 0.000 0.277 61 C C 3.330 178.410 174.990 0.150 0.000 1.262 61 C CA 0.839 59.921 59.018 0.106 0.000 1.733 61 C CB -1.333 26.552 27.740 0.241 0.000 2.010 61 C HN 0.709 nan 8.230 nan 0.000 0.483 62 A N -0.081 122.799 122.820 0.100 0.000 1.898 62 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 62 A C 2.061 179.684 177.584 0.066 0.000 1.181 62 A CA 2.028 54.117 52.037 0.087 0.000 0.620 62 A CB -0.703 18.336 19.000 0.065 0.000 0.819 62 A HN 0.596 nan 8.150 nan 0.000 0.442 63 Q N 0.136 119.958 119.800 0.037 0.000 2.061 63 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 63 Q C 1.817 177.830 176.000 0.020 0.000 0.984 63 Q CA 2.541 58.355 55.803 0.018 0.000 0.846 63 Q CB -0.655 28.080 28.738 -0.005 0.000 0.902 63 Q HN 0.330 nan 8.270 nan 0.000 0.421 64 V N 1.122 121.042 119.914 0.010 0.000 2.379 64 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 64 V C 2.026 178.195 176.094 0.124 0.000 1.044 64 V CA 1.792 64.100 62.300 0.013 0.000 1.036 64 V CB -0.757 30.975 31.823 -0.153 0.000 0.664 64 V HN 0.429 nan 8.190 nan 0.000 0.453 65 N N 0.093 118.914 118.700 0.202 0.000 2.104 65 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 65 N C 2.186 177.753 175.510 0.095 0.000 1.024 65 N CA 1.865 55.024 53.050 0.181 0.000 0.853 65 N CB -0.424 38.157 38.487 0.158 0.000 1.008 65 N HN 0.459 nan 8.380 nan 0.000 0.424 66 S N 0.938 116.681 115.700 0.072 0.000 2.348 66 S HA -0.130 4.340 4.470 -0.000 0.000 0.221 66 S C 1.278 175.902 174.600 0.040 0.000 1.033 66 S CA 1.246 59.474 58.200 0.047 0.000 1.010 66 S CB -0.258 62.964 63.200 0.037 0.000 0.891 66 S HN 0.164 nan 8.310 nan 0.000 0.442 67 D N 1.291 121.714 120.400 0.038 0.000 2.149 67 D HA -0.098 4.542 4.640 -0.000 0.000 0.194 67 D C 1.578 177.899 176.300 0.035 0.000 1.001 67 D CA 1.110 55.127 54.000 0.029 0.000 0.849 67 D CB -0.370 40.441 40.800 0.019 0.000 0.939 67 D HN 0.430 nan 8.370 nan 0.000 0.449 68 L N -0.507 120.748 121.223 0.052 0.000 2.612 68 L HA 0.185 4.525 4.340 -0.000 0.000 0.230 68 L C 1.229 178.122 176.870 0.038 0.000 1.140 68 L CA 0.157 55.028 54.840 0.052 0.000 0.896 68 L CB -0.248 41.859 42.059 0.080 0.000 1.065 68 L HN 0.061 nan 8.230 nan 0.000 0.447 69 G N 0.687 109.507 108.800 0.034 0.000 2.273 69 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 69 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 69 G C 0.610 175.523 174.900 0.021 0.000 1.047 69 G CA 0.370 45.485 45.100 0.024 0.000 0.869 69 G HN 0.409 nan 8.290 nan 0.000 0.502 70 L N -1.792 119.447 121.223 0.027 0.000 2.556 70 L HA 0.503 4.843 4.340 -0.000 0.000 0.226 70 L C 0.841 177.719 176.870 0.014 0.000 1.089 70 L CA 0.068 54.917 54.840 0.015 0.000 0.864 70 L CB 0.430 42.496 42.059 0.013 0.000 1.067 70 L HN 0.317 nan 8.230 nan 0.000 0.477 71 L N 0.103 121.341 121.223 0.025 0.000 2.410 71 L HA 0.691 5.031 4.340 -0.000 0.000 0.270 71 L C -0.097 176.788 176.870 0.024 0.000 0.983 71 L CA -0.513 54.342 54.840 0.025 0.000 0.822 71 L CB 1.584 43.665 42.059 0.037 0.000 1.285 71 L HN -0.086 nan 8.230 nan 0.000 0.409 72 A N 6.775 129.607 122.820 0.020 0.000 2.520 72 A HA 0.396 4.716 4.320 -0.000 0.000 0.245 72 A C -1.645 175.952 177.584 0.021 0.000 1.072 72 A CA -0.628 51.420 52.037 0.018 0.000 0.761 72 A CB -0.433 18.577 19.000 0.016 0.000 1.004 72 A HN 0.753 nan 8.150 nan 0.000 0.499 73 P HA -0.210 nan 4.420 nan 0.000 0.217 73 P C 0.747 178.059 177.300 0.019 0.000 1.148 73 P CA 1.694 64.806 63.100 0.019 0.000 0.828 73 P CB 0.160 31.869 31.700 0.016 0.000 0.783 74 E N 0.449 120.660 120.200 0.018 0.000 2.072 74 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 74 E C 2.062 178.675 176.600 0.021 0.000 0.985 74 E CA 1.081 57.491 56.400 0.017 0.000 0.801 74 E CB -0.457 29.252 29.700 0.015 0.000 0.750 74 E HN 0.319 nan 8.360 nan 0.000 0.452 75 K N 0.756 121.170 120.400 0.023 0.000 2.057 75 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 75 K C 2.306 178.925 176.600 0.031 0.000 1.050 75 K CA 1.020 57.324 56.287 0.028 0.000 0.935 75 K CB -0.189 32.330 32.500 0.031 0.000 0.715 75 K HN 0.093 nan 8.250 nan 0.000 0.439 76 A N 2.161 125.000 122.820 0.032 0.000 1.883 76 A HA -0.233 4.086 4.320 -0.000 0.000 0.217 76 A C 1.635 179.237 177.584 0.031 0.000 1.186 76 A CA 2.065 54.123 52.037 0.035 0.000 0.624 76 A CB -0.530 18.491 19.000 0.034 0.000 0.822 76 A HN 0.196 nan 8.150 nan 0.000 0.444 77 D N -0.089 120.326 120.400 0.025 0.000 2.178 77 D HA -0.034 4.606 4.640 -0.000 0.000 0.201 77 D C 2.123 178.438 176.300 0.024 0.000 0.980 77 D CA 1.425 55.438 54.000 0.023 0.000 0.842 77 D CB -0.326 40.486 40.800 0.019 0.000 0.948 77 D HN 0.464 nan 8.370 nan 0.000 0.472 78 A N 0.454 123.289 122.820 0.025 0.000 1.930 78 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 78 A C 2.336 179.937 177.584 0.028 0.000 1.176 78 A CA 0.419 52.470 52.037 0.024 0.000 0.632 78 A CB -0.454 18.559 19.000 0.021 0.000 0.819 78 A HN 0.135 nan 8.150 nan 0.000 0.445 79 I N -0.148 120.441 120.570 0.032 0.000 2.179 79 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 79 I C 2.287 178.428 176.117 0.039 0.000 1.088 79 I CA 1.389 62.712 61.300 0.038 0.000 1.357 79 I CB -0.353 37.675 38.000 0.046 0.000 1.051 79 I HN 0.290 nan 8.210 nan 0.000 0.409 80 I N 0.831 121.422 120.570 0.036 0.000 2.208 80 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 80 I C 2.742 178.880 176.117 0.034 0.000 1.097 80 I CA 1.544 62.864 61.300 0.033 0.000 1.363 80 I CB -0.463 37.552 38.000 0.026 0.000 1.051 80 I HN 0.219 nan 8.210 nan 0.000 0.413 81 A N 0.436 123.276 122.820 0.033 0.000 1.929 81 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 81 A C 2.526 180.139 177.584 0.048 0.000 1.176 81 A CA 1.468 53.528 52.037 0.037 0.000 0.628 81 A CB -0.666 18.353 19.000 0.032 0.000 0.816 81 A HN 0.413 nan 8.150 nan 0.000 0.444 82 A N 0.143 122.989 122.820 0.043 0.000 1.855 82 A HA 0.170 4.490 4.320 -0.000 0.000 0.215 82 A C 2.522 180.143 177.584 0.062 0.000 1.191 82 A CA 2.068 54.130 52.037 0.042 0.000 0.613 82 A CB -1.165 17.846 19.000 0.018 0.000 0.829 82 A HN 1.087 nan 8.150 nan 0.000 0.442 83 A N -0.170 122.686 122.820 0.060 0.000 1.948 83 A HA 0.077 4.397 4.320 -0.000 0.000 0.220 83 A C 2.450 180.076 177.584 0.070 0.000 1.177 83 A CA 2.280 54.358 52.037 0.069 0.000 0.636 83 A CB -0.943 18.090 19.000 0.056 0.000 0.815 83 A HN 1.110 nan 8.150 nan 0.000 0.449 84 A N -0.382 122.475 122.820 0.062 0.000 1.930 84 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 84 A C 1.906 179.536 177.584 0.077 0.000 1.175 84 A CA 1.505 53.575 52.037 0.055 0.000 0.627 84 A CB -0.421 18.604 19.000 0.042 0.000 0.815 84 A HN 0.654 nan 8.150 nan 0.000 0.443 85 E N -0.155 120.114 120.200 0.114 0.000 2.047 85 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 85 E C 1.874 178.607 176.600 0.221 0.000 0.987 85 E CA 1.228 57.730 56.400 0.169 0.000 0.799 85 E CB -0.315 29.549 29.700 0.274 0.000 0.752 85 E HN 0.681 nan 8.360 nan 0.000 0.449 86 I N 1.356 122.079 120.570 0.256 0.000 2.163 86 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 86 I C 2.515 178.693 176.117 0.102 0.000 1.085 86 I CA 1.125 62.568 61.300 0.238 0.000 1.347 86 I CB -0.320 37.809 38.000 0.216 0.000 1.044 86 I HN 0.083 nan 8.210 nan 0.000 0.408 87 A N -0.292 122.568 122.820 0.066 0.000 2.067 87 A HA -0.241 4.078 4.320 -0.000 0.000 0.219 87 A C 1.806 179.400 177.584 0.017 0.000 1.158 87 A CA 1.896 53.946 52.037 0.021 0.000 0.661 87 A CB -0.501 18.509 19.000 0.016 0.000 0.801 87 A HN 0.448 nan 8.150 nan 0.000 0.452 88 D N -1.655 118.766 120.400 0.036 0.000 2.328 88 D HA 0.285 4.925 4.640 -0.000 0.000 0.221 88 D C 1.122 177.429 176.300 0.011 0.000 1.072 88 D CA 0.898 54.910 54.000 0.021 0.000 0.850 88 D CB -0.219 40.596 40.800 0.025 0.000 0.922 88 D HN 0.472 nan 8.370 nan 0.000 0.516 89 G N 0.909 109.719 108.800 0.017 0.000 2.147 89 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.244 89 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.244 89 G C 0.846 175.737 174.900 -0.015 0.000 1.005 89 G CA 0.389 45.491 45.100 0.003 0.000 0.713 89 G HN 0.471 nan 8.290 nan 0.000 0.515 90 Q N -0.714 119.063 119.800 -0.038 0.000 2.403 90 Q HA 0.128 4.468 4.340 -0.000 0.000 0.203 90 Q C 0.793 176.510 176.000 -0.471 0.000 0.932 90 Q CA 0.419 56.080 55.803 -0.237 0.000 0.945 90 Q CB 0.293 28.852 28.738 -0.297 0.000 1.045 90 Q HN 0.768 nan 8.270 nan 0.000 0.511 91 H N -0.710 118.437 119.070 0.129 0.000 2.750 91 H HA 0.102 4.658 4.556 -0.000 0.000 0.239 91 H C -0.217 175.293 175.328 0.304 0.000 1.210 91 H CA -0.177 55.999 56.048 0.213 0.000 0.936 91 H CB 0.728 30.651 29.762 0.269 0.000 2.074 91 H HN 0.176 nan 8.280 nan 0.000 0.622 92 D N 0.813 121.353 120.400 0.232 0.000 2.351 92 D HA -0.109 4.531 4.640 -0.000 0.000 0.216 92 D C 1.381 177.845 176.300 0.273 0.000 0.968 92 D CA 0.916 55.031 54.000 0.191 0.000 0.899 92 D CB 0.114 40.954 40.800 0.067 0.000 0.907 92 D HN 0.580 nan 8.370 nan 0.000 0.514 93 D N -0.551 120.018 120.400 0.283 0.000 2.340 93 D HA -0.051 4.588 4.640 -0.000 0.000 0.217 93 D C 0.898 177.411 176.300 0.356 0.000 1.081 93 D CA 0.106 54.265 54.000 0.264 0.000 0.842 93 D CB 0.025 40.934 40.800 0.183 0.000 0.934 93 D HN 0.027 nan 8.370 nan 0.000 0.511 94 Q N -0.028 120.030 119.800 0.430 0.000 2.188 94 Q HA 0.188 4.528 4.340 -0.000 0.000 0.212 94 Q C -0.580 175.376 176.000 -0.072 0.000 0.846 94 Q CA -0.175 55.811 55.803 0.305 0.000 0.989 94 Q CB 0.247 29.057 28.738 0.120 0.000 1.114 94 Q HN 0.317 nan 8.270 nan 0.000 0.488 95 F N 1.911 121.935 119.950 0.124 0.000 2.550 95 F HA 0.297 4.824 4.527 -0.000 0.000 0.348 95 F C -1.517 174.221 175.800 -0.103 0.000 1.219 95 F CA -1.548 56.450 58.000 -0.004 0.000 1.203 95 F CB 1.457 40.480 39.000 0.039 0.000 1.436 95 F HN -0.075 nan 8.300 nan 0.000 0.541 96 P HA 0.055 nan 4.420 nan 0.000 0.245 96 P C 0.415 177.612 177.300 -0.171 0.000 1.206 96 P CA 0.611 63.558 63.100 -0.255 0.000 0.781 96 P CB 0.623 31.928 31.700 -0.657 0.000 0.994 97 I N 1.593 122.076 120.570 -0.145 0.000 2.618 97 I HA 0.019 4.189 4.170 -0.000 0.000 0.284 97 I C 1.056 177.163 176.117 -0.016 0.000 1.146 97 I CA 0.026 61.286 61.300 -0.066 0.000 1.425 97 I CB -0.016 37.956 38.000 -0.047 0.000 1.383 97 I HN -0.071 nan 8.210 nan 0.000 0.562 98 D N 4.809 125.225 120.400 0.026 0.000 2.506 98 D HA -0.043 4.597 4.640 -0.000 0.000 0.234 98 D C 1.132 177.387 176.300 -0.074 0.000 1.143 98 D CA 0.094 54.114 54.000 0.032 0.000 0.871 98 D CB 1.504 42.385 40.800 0.134 0.000 1.190 98 D HN 0.270 nan 8.370 nan 0.000 0.459 99 V N 4.075 123.916 119.914 -0.122 0.000 2.392 99 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 99 V C 0.902 176.695 176.094 -0.500 0.000 1.059 99 V CA 1.276 63.385 62.300 -0.320 0.000 1.051 99 V CB -0.424 31.126 31.823 -0.454 0.000 0.658 99 V HN 0.406 nan 8.190 nan 0.000 0.455 100 F N 1.926 121.799 119.950 -0.128 0.000 2.423 100 F HA 0.421 4.948 4.527 -0.000 0.000 0.356 100 F C 0.641 176.167 175.800 -0.456 0.000 1.170 100 F CA -0.265 57.618 58.000 -0.195 0.000 1.163 100 F CB -0.284 38.661 39.000 -0.092 0.000 1.318 100 F HN 0.322 nan 8.300 nan 0.000 0.569 101 Q N -0.413 119.049 119.800 -0.564 0.000 3.078 101 Q HA 0.515 4.855 4.340 -0.000 0.000 0.348 101 Q C -0.716 174.818 176.000 -0.776 0.000 0.861 101 Q CA -1.269 53.781 55.803 -1.255 0.000 0.822 101 Q CB 0.608 28.806 28.738 -0.899 0.000 1.395 101 Q HN 0.182 nan 8.270 nan 0.000 0.497 102 T N 0.840 115.017 114.554 -0.628 0.000 2.933 102 T HA 0.067 4.416 4.350 -0.000 0.000 0.306 102 T C 1.256 175.790 174.700 -0.276 0.000 1.045 102 T CA 0.536 62.474 62.100 -0.270 0.000 1.143 102 T CB 0.459 69.253 68.868 -0.124 0.000 1.003 102 T HN 0.737 nan 8.240 nan 0.000 0.540 103 G N 1.601 110.279 108.800 -0.202 0.000 2.498 103 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 103 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 103 G C 1.601 176.409 174.900 -0.153 0.000 1.119 103 G CA 0.705 45.688 45.100 -0.195 0.000 0.766 103 G HN 0.772 nan 8.290 nan 0.000 0.552 104 S N -1.171 114.439 115.700 -0.150 0.000 2.503 104 S HA 0.369 4.839 4.470 -0.000 0.000 0.217 104 S C 1.805 176.263 174.600 -0.237 0.000 0.999 104 S CA 0.950 59.091 58.200 -0.098 0.000 0.914 104 S CB 0.140 63.313 63.200 -0.044 0.000 0.782 104 S HN 1.446 nan 8.310 nan 0.000 0.520 105 G N 0.812 109.326 108.800 -0.477 0.000 2.132 105 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.234 105 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.234 105 G C 0.652 175.289 174.900 -0.437 0.000 0.989 105 G CA 0.463 44.998 45.100 -0.941 0.000 0.676 105 G HN 0.455 nan 8.290 nan 0.000 0.522 106 T N 0.825 115.252 114.554 -0.212 0.000 2.699 106 T HA -0.158 4.191 4.350 -0.000 0.000 0.268 106 T C 2.629 177.298 174.700 -0.052 0.000 1.036 106 T CA 2.144 64.199 62.100 -0.076 0.000 1.147 106 T CB -0.274 68.574 68.868 -0.033 0.000 0.862 106 T HN 0.470 nan 8.240 nan 0.000 0.446 107 S N 1.242 116.892 115.700 -0.083 0.000 2.359 107 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 107 S C 2.500 177.093 174.600 -0.011 0.000 1.035 107 S CA 1.253 59.438 58.200 -0.025 0.000 1.018 107 S CB -0.438 62.757 63.200 -0.007 0.000 0.876 107 S HN 0.432 nan 8.310 nan 0.000 0.448 108 S N 1.473 117.146 115.700 -0.045 0.000 2.402 108 S HA -0.069 4.400 4.470 -0.000 0.000 0.229 108 S C 1.766 176.476 174.600 0.183 0.000 1.021 108 S CA 0.924 59.181 58.200 0.095 0.000 0.974 108 S CB -0.446 62.845 63.200 0.152 0.000 0.800 108 S HN 0.546 nan 8.310 nan 0.000 0.484 109 N N 1.661 120.446 118.700 0.141 0.000 2.106 109 N HA 0.006 4.745 4.740 -0.000 0.000 0.188 109 N C 1.660 177.245 175.510 0.125 0.000 1.029 109 N CA 1.490 54.642 53.050 0.170 0.000 0.848 109 N CB -0.283 38.293 38.487 0.149 0.000 1.007 109 N HN 0.337 nan 8.380 nan 0.000 0.423 110 M N -0.065 119.584 119.600 0.081 0.000 2.149 110 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 110 M C 2.066 178.400 176.300 0.057 0.000 1.064 110 M CA 1.404 56.742 55.300 0.064 0.000 1.102 110 M CB -0.528 32.098 32.600 0.045 0.000 1.369 110 M HN 0.348 nan 8.290 nan 0.000 0.408 111 N N -0.440 118.293 118.700 0.054 0.000 2.104 111 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 111 N C 1.333 176.842 175.510 -0.001 0.000 1.024 111 N CA 1.856 54.907 53.050 0.000 0.000 0.853 111 N CB 0.150 38.641 38.487 0.006 0.000 1.008 111 N HN 0.264 nan 8.380 nan 0.000 0.424 112 T N 0.756 115.412 114.554 0.170 0.000 2.777 112 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 112 T C 1.487 176.261 174.700 0.124 0.000 1.040 112 T CA 0.997 63.248 62.100 0.252 0.000 1.141 112 T CB -0.361 68.694 68.868 0.311 0.000 0.868 112 T HN 0.317 nan 8.240 nan 0.000 0.444 113 N N 1.436 120.196 118.700 0.099 0.000 2.069 113 N HA -0.099 4.640 4.740 -0.000 0.000 0.191 113 N C 1.897 177.428 175.510 0.035 0.000 1.031 113 N CA 1.193 54.285 53.050 0.071 0.000 0.852 113 N CB -0.346 38.185 38.487 0.074 0.000 1.018 113 N HN 0.574 nan 8.380 nan 0.000 0.423 114 E N 0.259 120.471 120.200 0.021 0.000 2.077 114 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 114 E C 1.955 178.542 176.600 -0.022 0.000 0.989 114 E CA 0.760 57.162 56.400 0.003 0.000 0.800 114 E CB 0.062 29.780 29.700 0.030 0.000 0.746 114 E HN 0.076 nan 8.360 nan 0.000 0.452 115 V N 1.189 121.073 119.914 -0.050 0.000 2.453 115 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 115 V C 2.182 178.228 176.094 -0.081 0.000 1.048 115 V CA 1.296 63.534 62.300 -0.103 0.000 1.049 115 V CB -0.286 31.404 31.823 -0.221 0.000 0.672 115 V HN 0.250 nan 8.190 nan 0.000 0.457 116 I N 0.456 121.012 120.570 -0.022 0.000 2.226 116 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 116 I C 2.606 178.714 176.117 -0.014 0.000 1.100 116 I CA 1.495 62.791 61.300 -0.006 0.000 1.374 116 I CB -0.444 37.578 38.000 0.037 0.000 1.057 116 I HN 0.286 nan 8.210 nan 0.000 0.413 117 A N -0.326 122.488 122.820 -0.011 0.000 1.930 117 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 117 A C 2.459 180.025 177.584 -0.031 0.000 1.175 117 A CA 2.019 54.047 52.037 -0.015 0.000 0.627 117 A CB -0.617 18.372 19.000 -0.018 0.000 0.815 117 A HN 0.373 nan 8.150 nan 0.000 0.443 118 S N -0.233 115.438 115.700 -0.049 0.000 2.368 118 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 118 S C 1.793 176.357 174.600 -0.060 0.000 1.029 118 S CA 1.318 59.481 58.200 -0.061 0.000 0.988 118 S CB -0.422 62.728 63.200 -0.084 0.000 0.838 118 S HN 0.544 nan 8.310 nan 0.000 0.462 119 I N 1.608 122.133 120.570 -0.074 0.000 2.252 119 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 119 I C 2.673 178.774 176.117 -0.025 0.000 1.102 119 I CA 1.077 62.339 61.300 -0.064 0.000 1.385 119 I CB -0.442 37.496 38.000 -0.104 0.000 1.064 119 I HN 0.263 nan 8.210 nan 0.000 0.414 120 A N 0.684 123.493 122.820 -0.018 0.000 1.933 120 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 120 A C 2.520 180.102 177.584 -0.004 0.000 1.175 120 A CA 1.762 53.797 52.037 -0.003 0.000 0.628 120 A CB -0.735 18.268 19.000 0.005 0.000 0.814 120 A HN 0.435 nan 8.150 nan 0.000 0.444 121 A N -0.164 122.648 122.820 -0.013 0.000 1.933 121 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 121 A C 2.028 179.604 177.584 -0.013 0.000 1.175 121 A CA 1.650 53.679 52.037 -0.014 0.000 0.628 121 A CB -0.392 18.595 19.000 -0.023 0.000 0.814 121 A HN 0.512 nan 8.150 nan 0.000 0.444 122 K N -0.748 119.643 120.400 -0.015 0.000 2.442 122 K HA -0.046 4.274 4.320 -0.000 0.000 0.198 122 K C 1.264 177.863 176.600 -0.001 0.000 1.042 122 K CA 0.687 56.968 56.287 -0.010 0.000 0.958 122 K CB -0.135 32.359 32.500 -0.010 0.000 0.766 122 K HN 0.453 nan 8.250 nan 0.000 0.474 123 G N -0.283 108.518 108.800 0.001 0.000 3.605 123 G HA2 0.239 4.198 3.960 -0.000 0.000 0.277 123 G HA3 0.239 4.198 3.960 -0.000 0.000 0.277 123 G C 0.650 175.552 174.900 0.005 0.000 1.093 123 G CA 0.107 45.210 45.100 0.006 0.000 0.821 123 G HN 0.266 nan 8.290 nan 0.000 0.532 124 G N -0.865 107.936 108.800 0.002 0.000 2.160 124 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.251 124 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.251 124 G C 0.017 174.919 174.900 0.004 0.000 1.008 124 G CA 0.319 45.420 45.100 0.002 0.000 0.724 124 G HN 0.909 nan 8.290 nan 0.000 0.514 125 V N 0.166 120.083 119.914 0.005 0.000 2.604 125 V HA 0.696 4.816 4.120 -0.000 0.000 0.305 125 V C 0.386 176.485 176.094 0.008 0.000 1.043 125 V CA -0.460 61.845 62.300 0.009 0.000 0.888 125 V CB 2.045 33.876 31.823 0.012 0.000 0.995 125 V HN 0.250 nan 8.190 nan 0.000 0.429 126 T N 6.307 120.868 114.554 0.012 0.000 2.767 126 T HA 0.699 5.048 4.350 -0.000 0.000 0.288 126 T C -0.426 174.290 174.700 0.027 0.000 0.963 126 T CA -0.147 61.961 62.100 0.014 0.000 1.019 126 T CB 0.397 69.274 68.868 0.015 0.000 0.923 126 T HN 0.373 nan 8.240 nan 0.000 0.468 127 L N 2.788 124.027 121.223 0.027 0.000 2.381 127 L HA 0.423 4.763 4.340 -0.000 0.000 0.268 127 L C -0.035 176.874 176.870 0.065 0.000 0.997 127 L CA -1.184 53.687 54.840 0.051 0.000 0.818 127 L CB 1.848 43.932 42.059 0.043 0.000 1.310 127 L HN 0.593 nan 8.230 nan 0.000 0.416 128 H N 4.222 123.298 119.070 0.010 0.000 2.782 128 H HA 0.190 4.746 4.556 -0.000 0.000 0.285 128 H C -2.077 173.260 175.328 0.014 0.000 1.093 128 H CA -1.841 54.213 56.048 0.010 0.000 1.410 128 H CB 1.813 31.579 29.762 0.008 0.000 1.439 128 H HN 0.318 nan 8.280 nan 0.000 0.469 129 P HA -0.234 nan 4.420 nan 0.000 0.217 129 P C 1.440 178.842 177.300 0.171 0.000 1.158 129 P CA 1.485 64.617 63.100 0.053 0.000 0.887 129 P CB 0.413 32.091 31.700 -0.037 0.000 0.792 130 N N -1.357 117.556 118.700 0.354 0.000 2.258 130 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 130 N C 1.231 176.829 175.510 0.145 0.000 1.029 130 N CA 0.968 54.171 53.050 0.256 0.000 0.857 130 N CB -0.205 38.432 38.487 0.251 0.000 1.008 130 N HN -0.084 nan 8.380 nan 0.000 0.433 131 D N 0.856 121.287 120.400 0.052 0.000 2.144 131 D HA -0.110 4.529 4.640 -0.000 0.000 0.199 131 D C 0.939 177.223 176.300 -0.026 0.000 0.984 131 D CA 1.164 55.063 54.000 -0.167 0.000 0.834 131 D CB -0.064 40.448 40.800 -0.479 0.000 0.955 131 D HN 0.393 nan 8.370 nan 0.000 0.465 132 D N -0.624 119.814 120.400 0.063 0.000 2.840 132 D HA 0.020 4.660 4.640 -0.000 0.000 0.277 132 D C 2.298 178.638 176.300 0.066 0.000 1.066 132 D CA 0.221 54.256 54.000 0.058 0.000 0.979 132 D CB -0.136 40.709 40.800 0.075 0.000 1.157 132 D HN 0.005 nan 8.370 nan 0.000 0.466 133 V N 1.286 121.251 119.914 0.085 0.000 2.626 133 V HA -0.124 3.996 4.120 -0.000 0.000 0.252 133 V C 1.481 177.624 176.094 0.082 0.000 1.067 133 V CA 1.322 63.670 62.300 0.081 0.000 1.081 133 V CB -0.526 31.345 31.823 0.080 0.000 0.686 133 V HN 0.069 nan 8.190 nan 0.000 0.468 134 N N -0.578 118.167 118.700 0.075 0.000 2.235 134 N HA 0.192 4.932 4.740 -0.000 0.000 0.209 134 N C 0.471 175.991 175.510 0.017 0.000 1.122 134 N CA -0.113 52.973 53.050 0.060 0.000 0.845 134 N CB -0.005 38.521 38.487 0.065 0.000 1.004 134 N HN 0.431 nan 8.380 nan 0.000 0.499 135 M N 0.433 120.037 119.600 0.006 0.000 2.260 135 M HA -0.059 4.421 4.480 -0.000 0.000 0.348 135 M C 0.178 176.390 176.300 -0.148 0.000 1.342 135 M CA 0.858 56.126 55.300 -0.053 0.000 1.040 135 M CB 0.188 32.770 32.600 -0.030 0.000 1.810 135 M HN 0.285 nan 8.290 nan 0.000 0.453 136 S N 1.034 116.585 115.700 -0.249 0.000 2.929 136 S HA -0.210 4.259 4.470 -0.000 0.000 0.271 136 S C -0.416 173.925 174.600 -0.431 0.000 1.295 136 S CA 1.428 59.320 58.200 -0.512 0.000 1.277 136 S CB -1.393 61.134 63.200 -1.122 0.000 1.557 136 S HN 0.911 nan 8.310 nan 0.000 0.666 137 Q N 0.441 120.137 119.800 -0.172 0.000 2.306 137 Q HA 0.736 5.076 4.340 -0.000 0.000 0.265 137 Q C -0.267 175.725 176.000 -0.015 0.000 1.022 137 Q CA -0.307 55.473 55.803 -0.039 0.000 0.853 137 Q CB 2.059 30.830 28.738 0.056 0.000 1.327 137 Q HN 0.211 nan 8.270 nan 0.000 0.449 138 S N -0.174 115.534 115.700 0.014 0.000 2.664 138 S HA 0.280 4.750 4.470 -0.000 0.000 0.304 138 S C 0.669 175.302 174.600 0.054 0.000 1.099 138 S CA -0.488 57.727 58.200 0.024 0.000 1.003 138 S CB 1.726 64.937 63.200 0.018 0.000 1.092 138 S HN 0.622 nan 8.310 nan 0.000 0.525 139 S N 1.713 117.446 115.700 0.055 0.000 2.402 139 S HA -0.063 4.406 4.470 -0.000 0.000 0.229 139 S C 1.406 176.061 174.600 0.091 0.000 1.021 139 S CA 1.250 59.495 58.200 0.075 0.000 0.974 139 S CB -0.683 62.545 63.200 0.046 0.000 0.800 139 S HN 0.757 nan 8.310 nan 0.000 0.484 140 N N 2.004 120.744 118.700 0.068 0.000 2.453 140 N HA -0.063 4.677 4.740 -0.000 0.000 0.183 140 N C 1.002 176.560 175.510 0.080 0.000 1.041 140 N CA 1.308 54.402 53.050 0.073 0.000 0.900 140 N CB -0.254 38.266 38.487 0.056 0.000 0.961 140 N HN 0.719 nan 8.380 nan 0.000 0.443 141 D N -1.892 118.552 120.400 0.073 0.000 2.454 141 D HA 0.075 4.715 4.640 -0.000 0.000 0.219 141 D C 1.407 177.755 176.300 0.081 0.000 1.081 141 D CA 0.334 54.370 54.000 0.060 0.000 0.867 141 D CB -0.559 40.262 40.800 0.035 0.000 1.054 141 D HN -0.158 nan 8.370 nan 0.000 0.500 142 T N 0.089 114.709 114.554 0.110 0.000 2.698 142 T HA -0.010 4.339 4.350 -0.000 0.000 0.260 142 T C 1.323 176.106 174.700 0.139 0.000 1.044 142 T CA 0.892 63.065 62.100 0.121 0.000 1.149 142 T CB -0.455 68.494 68.868 0.136 0.000 0.864 142 T HN 0.093 nan 8.240 nan 0.000 0.419 143 F N 3.131 123.106 119.950 0.042 0.000 2.134 143 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 143 F C -0.809 175.025 175.800 0.057 0.000 1.097 143 F CA 0.812 58.836 58.000 0.039 0.000 1.264 143 F CB -0.856 38.160 39.000 0.028 0.000 1.001 143 F HN 0.171 nan 8.300 nan 0.000 0.479 144 P HA -0.132 nan 4.420 nan 0.000 0.218 144 P C 1.551 178.906 177.300 0.093 0.000 1.148 144 P CA 1.924 65.113 63.100 0.148 0.000 0.822 144 P CB -0.359 31.427 31.700 0.144 0.000 0.784 145 T N 0.185 114.753 114.554 0.023 0.000 2.737 145 T HA -0.072 4.278 4.350 -0.000 0.000 0.265 145 T C 2.061 176.745 174.700 -0.027 0.000 1.038 145 T CA 1.729 63.825 62.100 -0.006 0.000 1.144 145 T CB -0.845 68.019 68.868 -0.007 0.000 0.866 145 T HN 0.078 nan 8.240 nan 0.000 0.434 146 A N 1.305 124.065 122.820 -0.100 0.000 1.908 146 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 146 A C 2.540 180.002 177.584 -0.204 0.000 1.181 146 A CA 2.188 54.121 52.037 -0.173 0.000 0.627 146 A CB -1.276 17.561 19.000 -0.271 0.000 0.818 146 A HN 0.487 nan 8.150 nan 0.000 0.445 147 T N -0.801 113.606 114.554 -0.245 0.000 2.708 147 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 147 T C 1.750 176.383 174.700 -0.112 0.000 1.037 147 T CA 1.493 63.472 62.100 -0.202 0.000 1.146 147 T CB -0.510 68.257 68.868 -0.169 0.000 0.865 147 T HN 0.663 nan 8.240 nan 0.000 0.435 148 H N 0.209 119.222 119.070 -0.094 0.000 2.462 148 H HA 0.119 4.674 4.556 -0.000 0.000 0.292 148 H C 2.266 177.545 175.328 -0.082 0.000 1.049 148 H CA 0.841 56.852 56.048 -0.061 0.000 1.334 148 H CB -0.072 29.669 29.762 -0.035 0.000 1.404 148 H HN 0.340 nan 8.280 nan 0.000 0.544 149 I N 0.684 121.262 120.570 0.014 0.000 2.252 149 I HA -0.200 3.969 4.170 -0.000 0.000 0.245 149 I C 2.853 178.916 176.117 -0.090 0.000 1.102 149 I CA 0.847 62.122 61.300 -0.042 0.000 1.385 149 I CB -0.229 37.740 38.000 -0.052 0.000 1.064 149 I HN 0.153 nan 8.210 nan 0.000 0.414 150 A N 0.791 123.542 122.820 -0.116 0.000 1.902 150 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 150 A C 2.525 179.985 177.584 -0.206 0.000 1.181 150 A CA 1.900 53.851 52.037 -0.144 0.000 0.623 150 A CB -0.828 18.084 19.000 -0.147 0.000 0.818 150 A HN 0.427 nan 8.150 nan 0.000 0.443 151 A N -1.229 121.464 122.820 -0.213 0.000 1.930 151 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 151 A C 2.284 179.592 177.584 -0.460 0.000 1.175 151 A CA 2.171 54.006 52.037 -0.337 0.000 0.627 151 A CB -1.079 17.837 19.000 -0.141 0.000 0.815 151 A HN 0.424 nan 8.150 nan 0.000 0.443 152 T N -0.663 113.751 114.554 -0.234 0.000 2.812 152 T HA -0.109 4.241 4.350 -0.000 0.000 0.264 152 T C 1.865 176.446 174.700 -0.198 0.000 1.042 152 T CA 1.423 63.418 62.100 -0.175 0.000 1.140 152 T CB -0.162 68.662 68.868 -0.073 0.000 0.870 152 T HN 0.693 nan 8.240 nan 0.000 0.445 153 E N 0.939 121.036 120.200 -0.172 0.000 2.077 153 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 153 E C 2.390 178.912 176.600 -0.130 0.000 0.989 153 E CA 1.009 57.334 56.400 -0.125 0.000 0.800 153 E CB -0.204 29.452 29.700 -0.073 0.000 0.746 153 E HN 0.455 nan 8.360 nan 0.000 0.452 154 A N 1.009 123.670 122.820 -0.265 0.000 1.940 154 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 154 A C 2.335 179.690 177.584 -0.382 0.000 1.176 154 A CA 1.857 53.706 52.037 -0.313 0.000 0.631 154 A CB -0.674 17.960 19.000 -0.610 0.000 0.814 154 A HN 0.418 nan 8.150 nan 0.000 0.446 155 A N -0.976 121.487 122.820 -0.595 0.000 1.897 155 A HA 0.121 4.441 4.320 -0.000 0.000 0.215 155 A C 2.170 179.714 177.584 -0.067 0.000 1.181 155 A CA 1.688 53.588 52.037 -0.229 0.000 0.620 155 A CB -0.577 18.346 19.000 -0.127 0.000 0.821 155 A HN 0.367 nan 8.150 nan 0.000 0.443 156 V N -0.967 118.882 119.914 -0.108 0.000 2.599 156 V HA 0.034 4.153 4.120 -0.000 0.000 0.245 156 V C 2.690 178.712 176.094 -0.120 0.000 1.046 156 V CA 1.538 63.788 62.300 -0.083 0.000 1.065 156 V CB -0.413 31.361 31.823 -0.082 0.000 0.703 156 V HN 0.543 nan 8.190 nan 0.000 0.464 157 A N -2.186 120.517 122.820 -0.195 0.000 2.195 157 A HA 0.066 4.386 4.320 -0.000 0.000 0.210 157 A C 1.819 179.053 177.584 -0.583 0.000 1.165 157 A CA 0.670 52.475 52.037 -0.387 0.000 0.806 157 A CB -0.197 18.509 19.000 -0.489 0.000 0.847 157 A HN 0.649 nan 8.150 nan 0.000 0.482 158 H N -2.660 116.388 119.070 -0.036 0.000 1.955 158 H HA 0.118 4.674 4.556 -0.000 0.000 0.196 158 H C 1.703 177.050 175.328 0.032 0.000 0.891 158 H CA 0.768 56.812 56.048 -0.007 0.000 1.001 158 H CB -0.477 29.275 29.762 -0.016 0.000 1.195 158 H HN 0.330 nan 8.280 nan 0.000 0.384 159 L N 1.698 123.034 121.223 0.187 0.000 2.005 159 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 159 L C 2.232 179.175 176.870 0.122 0.000 1.072 159 L CA 1.356 56.309 54.840 0.189 0.000 0.744 159 L CB -0.886 41.360 42.059 0.311 0.000 0.895 159 L HN 0.148 nan 8.230 nan 0.000 0.433 160 I N -0.080 120.543 120.570 0.088 0.000 2.118 160 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 160 I C -0.330 175.807 176.117 0.034 0.000 1.070 160 I CA 1.624 62.955 61.300 0.051 0.000 1.327 160 I CB -1.487 36.528 38.000 0.024 0.000 1.034 160 I HN 0.267 nan 8.210 nan 0.000 0.405 161 P HA -0.177 nan 4.420 nan 0.000 0.216 161 P C 1.445 178.771 177.300 0.042 0.000 1.150 161 P CA 1.868 64.977 63.100 0.014 0.000 0.837 161 P CB -0.048 31.646 31.700 -0.011 0.000 0.786 162 A N -0.479 122.381 122.820 0.066 0.000 1.877 162 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 162 A C 2.221 179.856 177.584 0.085 0.000 1.186 162 A CA 1.522 53.607 52.037 0.081 0.000 0.620 162 A CB -1.680 17.379 19.000 0.100 0.000 0.822 162 A HN 0.103 nan 8.150 nan 0.000 0.443 163 L N -1.115 120.160 121.223 0.087 0.000 2.046 163 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 163 L C 2.869 179.799 176.870 0.100 0.000 1.077 163 L CA 1.764 56.661 54.840 0.094 0.000 0.747 163 L CB -0.562 41.547 42.059 0.083 0.000 0.896 163 L HN 0.469 nan 8.230 nan 0.000 0.432 164 Q N 0.387 120.227 119.800 0.066 0.000 2.135 164 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 164 Q C 2.151 178.213 176.000 0.103 0.000 0.981 164 Q CA 1.887 57.725 55.803 0.057 0.000 0.856 164 Q CB -0.217 28.528 28.738 0.011 0.000 0.902 164 Q HN 0.458 nan 8.270 nan 0.000 0.425 165 Q N -0.937 118.909 119.800 0.078 0.000 2.119 165 Q HA -0.153 4.187 4.340 -0.000 0.000 0.201 165 Q C 1.866 177.907 176.000 0.069 0.000 0.972 165 Q CA 1.344 57.186 55.803 0.066 0.000 0.847 165 Q CB -0.161 28.607 28.738 0.049 0.000 0.903 165 Q HN 0.464 nan 8.270 nan 0.000 0.433 166 L N 0.480 121.756 121.223 0.087 0.000 2.109 166 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 166 L C 2.404 179.321 176.870 0.077 0.000 1.086 166 L CA 1.981 56.863 54.840 0.071 0.000 0.760 166 L CB -0.799 41.325 42.059 0.108 0.000 0.910 166 L HN 0.406 nan 8.230 nan 0.000 0.437 167 H N -0.390 118.701 119.070 0.034 0.000 2.321 167 H HA -0.164 4.392 4.556 -0.000 0.000 0.300 167 H C 1.517 176.859 175.328 0.023 0.000 1.087 167 H CA 2.077 58.147 56.048 0.037 0.000 1.319 167 H CB -0.020 29.763 29.762 0.035 0.000 1.379 167 H HN 0.366 nan 8.280 nan 0.000 0.501 168 D N 0.848 121.328 120.400 0.133 0.000 2.123 168 D HA -0.115 4.525 4.640 -0.000 0.000 0.196 168 D C 2.313 178.573 176.300 -0.066 0.000 0.992 168 D CA 1.492 55.520 54.000 0.048 0.000 0.833 168 D CB -0.638 40.211 40.800 0.081 0.000 0.954 168 D HN 0.511 nan 8.370 nan 0.000 0.455 169 A N 0.335 123.122 122.820 -0.055 0.000 1.933 169 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 169 A C 2.351 179.871 177.584 -0.107 0.000 1.175 169 A CA 0.924 52.907 52.037 -0.091 0.000 0.628 169 A CB -0.653 18.295 19.000 -0.086 0.000 0.814 169 A HN 0.219 nan 8.150 nan 0.000 0.444 170 L N -1.172 120.005 121.223 -0.076 0.000 2.131 170 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 170 L C 2.996 179.839 176.870 -0.044 0.000 1.087 170 L CA 0.819 55.677 54.840 0.030 0.000 0.767 170 L CB -0.416 41.685 42.059 0.071 0.000 0.917 170 L HN 0.395 nan 8.230 nan 0.000 0.441 171 A N 0.131 122.830 122.820 -0.201 0.000 1.930 171 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 171 A C 2.536 180.036 177.584 -0.140 0.000 1.175 171 A CA 1.447 53.367 52.037 -0.195 0.000 0.627 171 A CB -0.569 18.259 19.000 -0.287 0.000 0.815 171 A HN 0.356 nan 8.150 nan 0.000 0.443 172 A N -0.061 122.666 122.820 -0.156 0.000 1.902 172 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 172 A C 2.083 179.497 177.584 -0.284 0.000 1.181 172 A CA 1.765 53.693 52.037 -0.181 0.000 0.623 172 A CB -0.341 18.557 19.000 -0.170 0.000 0.818 172 A HN 0.333 nan 8.150 nan 0.000 0.443 173 K N -0.104 120.067 120.400 -0.382 0.000 2.097 173 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 173 K C 2.231 178.569 176.600 -0.436 0.000 1.050 173 K CA 1.232 57.085 56.287 -0.724 0.000 0.938 173 K CB -0.779 31.126 32.500 -0.993 0.000 0.718 173 K HN 0.458 nan 8.250 nan 0.000 0.442 174 A N 1.289 124.024 122.820 -0.143 0.000 1.940 174 A HA -0.132 4.187 4.320 -0.000 0.000 0.219 174 A C 2.303 179.899 177.584 0.020 0.000 1.176 174 A CA 1.248 53.300 52.037 0.024 0.000 0.631 174 A CB -0.505 18.526 19.000 0.052 0.000 0.814 174 A HN 0.177 nan 8.150 nan 0.000 0.446 175 L N -0.906 120.278 121.223 -0.065 0.000 2.068 175 L HA -0.104 4.236 4.340 -0.000 0.000 0.204 175 L C 2.028 178.884 176.870 -0.024 0.000 1.076 175 L CA 1.175 55.981 54.840 -0.056 0.000 0.753 175 L CB -0.488 41.516 42.059 -0.093 0.000 0.910 175 L HN 0.269 nan 8.230 nan 0.000 0.439 176 D N -0.749 119.569 120.400 -0.136 0.000 2.182 176 D HA -0.208 4.432 4.640 -0.000 0.000 0.201 176 D C 1.410 177.778 176.300 0.113 0.000 0.986 176 D CA 1.191 55.116 54.000 -0.125 0.000 0.847 176 D CB -0.056 40.515 40.800 -0.382 0.000 0.942 176 D HN 0.365 nan 8.370 nan 0.000 0.467 177 W N 0.236 121.512 121.300 -0.041 0.000 3.102 177 W HA 0.136 4.795 4.660 -0.000 0.000 0.401 177 W C 1.562 178.090 176.519 0.016 0.000 1.070 177 W CA -0.971 56.347 57.345 -0.045 0.000 1.921 177 W CB -1.136 28.245 29.460 -0.132 0.000 1.118 177 W HN 0.159 nan 8.180 nan 0.000 0.647 178 H N 1.053 120.209 119.070 0.143 0.000 2.400 178 H HA -0.208 4.348 4.556 -0.000 0.000 0.295 178 H C 1.988 177.354 175.328 0.063 0.000 1.118 178 H CA 2.801 58.898 56.048 0.080 0.000 1.256 178 H CB 0.047 29.836 29.762 0.045 0.000 1.365 178 H HN -0.015 nan 8.280 nan 0.000 0.502 179 T N -2.631 111.923 114.554 0.000 0.000 3.129 179 T HA 0.244 4.594 4.350 -0.000 0.000 0.267 179 T C 0.204 174.873 174.700 -0.051 0.000 1.018 179 T CA -0.000 62.048 62.100 -0.087 0.000 0.903 179 T CB -0.345 68.504 68.868 -0.032 0.000 1.067 179 T HN 0.006 nan 8.240 nan 0.000 0.549 180 V N 2.877 122.775 119.914 -0.028 0.000 2.302 180 V HA 0.250 4.370 4.120 -0.000 0.000 0.244 180 V C 0.783 176.819 176.094 -0.097 0.000 1.160 180 V CA -0.638 61.609 62.300 -0.089 0.000 1.127 180 V CB -0.161 31.544 31.823 -0.196 0.000 1.253 180 V HN 0.472 nan 8.190 nan 0.000 0.496 181 V N 6.712 126.574 119.914 -0.086 0.000 2.811 181 V HA 0.533 4.653 4.120 -0.000 0.000 0.302 181 V C 0.216 176.260 176.094 -0.084 0.000 1.063 181 V CA 0.023 62.277 62.300 -0.078 0.000 1.088 181 V CB 1.311 33.092 31.823 -0.070 0.000 0.982 181 V HN 1.036 nan 8.190 nan 0.000 0.485 182 K N 2.981 123.338 120.400 -0.070 0.000 2.578 182 K HA 0.501 4.821 4.320 -0.000 0.000 0.287 182 K C -1.063 175.504 176.600 -0.055 0.000 1.010 182 K CA -0.679 55.564 56.287 -0.073 0.000 0.889 182 K CB 1.481 33.941 32.500 -0.066 0.000 1.514 182 K HN 0.410 nan 8.250 nan 0.000 0.424 183 S N -0.101 115.565 115.700 -0.056 0.000 2.548 183 S HA 0.386 4.856 4.470 -0.000 0.000 0.277 183 S C 0.183 174.768 174.600 -0.026 0.000 1.315 183 S CA -0.094 58.081 58.200 -0.041 0.000 1.050 183 S CB 0.225 63.398 63.200 -0.045 0.000 0.918 183 S HN 0.666 nan 8.310 nan 0.000 0.497 184 G N 3.319 112.107 108.800 -0.020 0.000 2.539 184 G HA2 0.486 4.446 3.960 -0.000 0.000 0.258 184 G HA3 0.486 4.446 3.960 -0.000 0.000 0.258 184 G C -0.723 174.170 174.900 -0.012 0.000 1.202 184 G CA -0.619 44.474 45.100 -0.013 0.000 0.851 184 G HN 0.717 nan 8.290 nan 0.000 0.556 185 R N -0.273 120.219 120.500 -0.013 0.000 2.561 185 R HA 0.574 4.914 4.340 -0.000 0.000 0.297 185 R C -0.703 175.580 176.300 -0.029 0.000 0.969 185 R CA -0.639 55.450 56.100 -0.018 0.000 0.879 185 R CB 2.200 32.481 30.300 -0.031 0.000 1.178 185 R HN 0.711 nan 8.270 nan 0.000 0.445 186 T N -1.302 113.244 114.554 -0.013 0.000 2.893 186 T HA 0.277 4.627 4.350 -0.000 0.000 0.293 186 T C 0.335 175.046 174.700 0.017 0.000 1.027 186 T CA -0.734 61.328 62.100 -0.063 0.000 0.988 186 T CB 1.121 69.961 68.868 -0.046 0.000 1.043 186 T HN 0.878 nan 8.240 nan 0.000 0.461 187 H N 1.731 120.778 119.070 -0.038 0.000 3.612 187 H HA -0.176 4.380 4.556 -0.000 0.000 0.212 187 H C 1.065 176.351 175.328 -0.069 0.000 1.041 187 H CA 1.051 57.071 56.048 -0.046 0.000 1.205 187 H CB -1.485 28.256 29.762 -0.034 0.000 1.159 187 H HN 0.866 nan 8.280 nan 0.000 0.323 188 L N -3.527 117.689 121.223 -0.011 0.000 4.885 188 L HA -0.231 4.109 4.340 -0.000 0.000 0.404 188 L C 0.168 177.019 176.870 -0.031 0.000 0.970 188 L CA 0.831 55.633 54.840 -0.063 0.000 1.426 188 L CB -1.065 40.929 42.059 -0.109 0.000 1.934 188 L HN 0.077 nan 8.230 nan 0.000 0.613 189 M N 0.117 119.727 119.600 0.016 0.000 2.478 189 M HA 0.400 4.879 4.480 -0.000 0.000 0.327 189 M C 0.382 176.687 176.300 0.008 0.000 1.187 189 M CA -0.487 54.820 55.300 0.012 0.000 1.022 189 M CB 0.529 33.144 32.600 0.025 0.000 1.629 189 M HN -0.101 nan 8.290 nan 0.000 0.461 190 D N 1.599 121.998 120.400 -0.001 0.000 2.571 190 D HA 0.328 4.967 4.640 -0.000 0.000 0.231 190 D C -0.172 176.130 176.300 0.004 0.000 1.133 190 D CA 0.560 54.557 54.000 -0.004 0.000 0.862 190 D CB 0.517 41.312 40.800 -0.008 0.000 1.179 190 D HN 0.669 nan 8.370 nan 0.000 0.474 191 A N 1.428 124.248 122.820 -0.001 0.000 2.525 191 A HA 0.649 4.969 4.320 -0.000 0.000 0.291 191 A C -0.137 177.443 177.584 -0.006 0.000 1.268 191 A CA -0.625 51.414 52.037 0.003 0.000 0.712 191 A CB 0.490 19.495 19.000 0.008 0.000 1.320 191 A HN 0.413 nan 8.150 nan 0.000 0.456 192 V N -2.056 117.855 119.914 -0.005 0.000 3.237 192 V HA 0.430 4.550 4.120 -0.000 0.000 0.305 192 V C -2.596 173.488 176.094 -0.018 0.000 1.096 192 V CA -1.304 60.989 62.300 -0.012 0.000 1.130 192 V CB -0.615 31.203 31.823 -0.009 0.000 1.048 192 V HN 0.620 nan 8.190 nan 0.000 0.484 193 P HA 0.400 nan 4.420 nan 0.000 0.271 193 P C -0.375 176.908 177.300 -0.029 0.000 1.216 193 P CA 0.044 63.126 63.100 -0.031 0.000 0.776 193 P CB 0.983 32.662 31.700 -0.036 0.000 0.881 194 V N -0.213 119.684 119.914 -0.029 0.000 3.164 194 V HA 0.881 5.000 4.120 -0.000 0.000 0.313 194 V C -0.158 175.917 176.094 -0.033 0.000 1.188 194 V CA -0.839 61.445 62.300 -0.026 0.000 1.058 194 V CB 1.609 33.423 31.823 -0.016 0.000 1.110 194 V HN 0.597 nan 8.190 nan 0.000 0.453 195 T N -1.191 113.347 114.554 -0.027 0.000 2.945 195 T HA 0.542 4.891 4.350 -0.000 0.000 0.286 195 T C 0.608 175.327 174.700 0.032 0.000 1.025 195 T CA -0.393 61.693 62.100 -0.023 0.000 1.039 195 T CB 1.589 70.426 68.868 -0.051 0.000 1.068 195 T HN 0.729 nan 8.240 nan 0.000 0.497 196 L N 2.118 123.365 121.223 0.039 0.000 2.131 196 L HA 0.212 4.552 4.340 -0.000 0.000 0.210 196 L C 2.509 179.558 176.870 0.297 0.000 1.092 196 L CA 2.244 57.167 54.840 0.138 0.000 0.759 196 L CB -1.306 40.715 42.059 -0.062 0.000 0.903 196 L HN 1.029 nan 8.230 nan 0.000 0.435 197 G N -1.727 107.216 108.800 0.239 0.000 2.408 197 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 197 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 197 G C 1.467 176.481 174.900 0.191 0.000 1.150 197 G CA 0.626 45.878 45.100 0.254 0.000 0.776 197 G HN 0.474 nan 8.290 nan 0.000 0.542 198 Q N 0.053 119.924 119.800 0.117 0.000 2.046 198 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 198 Q C 2.509 178.498 176.000 -0.018 0.000 0.975 198 Q CA 1.359 57.194 55.803 0.053 0.000 0.836 198 Q CB -0.131 28.620 28.738 0.021 0.000 0.896 198 Q HN 0.580 nan 8.270 nan 0.000 0.428 199 E N 0.019 120.199 120.200 -0.034 0.000 2.085 199 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 199 E C 1.664 177.850 176.600 -0.689 0.000 0.994 199 E CA 1.021 57.247 56.400 -0.290 0.000 0.801 199 E CB -0.142 29.459 29.700 -0.164 0.000 0.743 199 E HN 0.324 nan 8.360 nan 0.000 0.453 200 F N 0.848 120.577 119.950 -0.367 0.000 2.325 200 F HA -0.143 4.383 4.527 -0.000 0.000 0.299 200 F C 2.792 178.499 175.800 -0.156 0.000 1.090 200 F CA 1.064 58.921 58.000 -0.238 0.000 1.392 200 F CB -0.037 38.989 39.000 0.043 0.000 1.053 200 F HN 0.023 nan 8.300 nan 0.000 0.521 201 S N -0.435 115.280 115.700 0.025 0.000 2.406 201 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 201 S C 2.332 176.910 174.600 -0.036 0.000 1.020 201 S CA 0.967 59.171 58.200 0.007 0.000 0.965 201 S CB -1.130 62.087 63.200 0.029 0.000 0.798 201 S HN 0.327 nan 8.310 nan 0.000 0.488 202 G N 0.580 109.299 108.800 -0.134 0.000 2.404 202 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.215 202 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.215 202 G C 1.222 176.107 174.900 -0.025 0.000 1.174 202 G CA 0.881 45.911 45.100 -0.117 0.000 0.780 202 G HN 0.554 nan 8.290 nan 0.000 0.537 203 Y N 1.456 121.719 120.300 -0.062 0.000 2.128 203 Y HA 0.025 4.575 4.550 -0.000 0.000 0.284 203 Y C 3.155 179.043 175.900 -0.020 0.000 1.154 203 Y CA 0.119 58.171 58.100 -0.080 0.000 1.149 203 Y CB -1.284 37.047 38.460 -0.215 0.000 0.976 203 Y HN 0.264 nan 8.280 nan 0.000 0.505 204 A N 0.416 123.304 122.820 0.114 0.000 1.908 204 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 204 A C 2.347 180.018 177.584 0.144 0.000 1.181 204 A CA 2.304 54.365 52.037 0.039 0.000 0.627 204 A CB -0.693 18.241 19.000 -0.110 0.000 0.818 204 A HN 0.358 nan 8.150 nan 0.000 0.445 205 R N -0.063 120.506 120.500 0.115 0.000 2.115 205 R HA -0.083 4.256 4.340 -0.000 0.000 0.230 205 R C 2.119 178.489 176.300 0.116 0.000 1.111 205 R CA 1.947 58.121 56.100 0.123 0.000 0.976 205 R CB -0.642 29.704 30.300 0.077 0.000 0.870 205 R HN 0.682 nan 8.270 nan 0.000 0.445 206 Q N -0.315 119.554 119.800 0.115 0.000 2.084 206 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 206 Q C 1.723 177.785 176.000 0.103 0.000 0.978 206 Q CA 1.383 57.247 55.803 0.101 0.000 0.844 206 Q CB -0.038 28.765 28.738 0.109 0.000 0.898 206 Q HN 0.325 nan 8.270 nan 0.000 0.426 207 I N 0.645 121.297 120.570 0.136 0.000 2.286 207 I HA -0.206 3.963 4.170 -0.000 0.000 0.245 207 I C 2.266 178.461 176.117 0.129 0.000 1.104 207 I CA 1.300 62.683 61.300 0.139 0.000 1.397 207 I CB -1.152 36.951 38.000 0.173 0.000 1.072 207 I HN 0.325 nan 8.210 nan 0.000 0.417 208 E N 1.298 121.601 120.200 0.172 0.000 2.085 208 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 208 E C 2.272 178.894 176.600 0.038 0.000 0.994 208 E CA 1.535 57.976 56.400 0.068 0.000 0.801 208 E CB 0.077 29.829 29.700 0.087 0.000 0.743 208 E HN 0.422 nan 8.360 nan 0.000 0.453 209 A N 0.618 123.473 122.820 0.057 0.000 1.969 209 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 209 A C 2.375 179.979 177.584 0.035 0.000 1.169 209 A CA 1.511 53.572 52.037 0.040 0.000 0.635 209 A CB -1.061 17.964 19.000 0.043 0.000 0.810 209 A HN 0.456 nan 8.150 nan 0.000 0.445 210 G N 0.327 109.154 108.800 0.044 0.000 2.446 210 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 210 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 210 G C 1.521 176.443 174.900 0.036 0.000 1.168 210 G CA 1.163 46.286 45.100 0.039 0.000 0.771 210 G HN 0.477 nan 8.290 nan 0.000 0.551 211 I N 0.697 121.287 120.570 0.033 0.000 2.163 211 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 211 I C 2.786 178.912 176.117 0.016 0.000 1.085 211 I CA 1.501 62.814 61.300 0.022 0.000 1.347 211 I CB -0.335 37.661 38.000 -0.006 0.000 1.044 211 I HN 0.292 nan 8.210 nan 0.000 0.408 212 E N 0.758 120.964 120.200 0.010 0.000 2.110 212 E HA -0.235 4.114 4.350 -0.000 0.000 0.193 212 E C 2.206 178.816 176.600 0.017 0.000 0.988 212 E CA 1.201 57.606 56.400 0.009 0.000 0.804 212 E CB -0.132 29.573 29.700 0.008 0.000 0.745 212 E HN 0.598 nan 8.360 nan 0.000 0.458 213 R N 0.397 120.910 120.500 0.022 0.000 2.153 213 R HA 0.022 4.362 4.340 -0.000 0.000 0.218 213 R C 2.128 178.448 176.300 0.032 0.000 1.072 213 R CA 0.692 56.806 56.100 0.023 0.000 0.990 213 R CB -0.372 29.939 30.300 0.018 0.000 0.889 213 R HN -0.026 nan 8.270 nan 0.000 0.452 214 V N 1.792 121.731 119.914 0.043 0.000 2.323 214 V HA -0.142 3.978 4.120 -0.000 0.000 0.244 214 V C 2.471 178.600 176.094 0.060 0.000 1.041 214 V CA 1.639 63.980 62.300 0.069 0.000 1.025 214 V CB -0.517 31.364 31.823 0.097 0.000 0.656 214 V HN 0.301 nan 8.190 nan 0.000 0.451 215 R N 0.341 120.864 120.500 0.039 0.000 2.105 215 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 215 R C 2.325 178.640 176.300 0.025 0.000 1.135 215 R CA 1.456 57.572 56.100 0.026 0.000 0.967 215 R CB -0.605 29.702 30.300 0.013 0.000 0.861 215 R HN 0.529 nan 8.270 nan 0.000 0.442 216 A N 0.804 123.639 122.820 0.025 0.000 2.125 216 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 216 A C 2.357 179.959 177.584 0.029 0.000 1.156 216 A CA 1.465 53.516 52.037 0.023 0.000 0.671 216 A CB -0.610 18.401 19.000 0.019 0.000 0.794 216 A HN 0.680 nan 8.150 nan 0.000 0.459 217 C N -2.402 116.922 119.300 0.040 0.000 2.865 217 C HA 0.420 4.880 4.460 -0.000 0.000 0.280 217 C C 2.195 177.218 174.990 0.055 0.000 1.255 217 C CA 0.144 59.191 59.018 0.049 0.000 1.705 217 C CB -1.410 26.365 27.740 0.058 0.000 2.080 217 C HN 0.445 nan 8.230 nan 0.000 0.591 218 L N 1.592 122.844 121.223 0.048 0.000 2.043 218 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 218 L C -0.146 176.745 176.870 0.035 0.000 1.075 218 L CA 1.847 56.711 54.840 0.040 0.000 0.752 218 L CB -1.933 40.140 42.059 0.024 0.000 0.891 218 L HN 0.198 nan 8.230 nan 0.000 0.432 219 P HA -0.181 nan 4.420 nan 0.000 0.217 219 P C 1.340 178.658 177.300 0.031 0.000 1.148 219 P CA 1.583 64.697 63.100 0.023 0.000 0.834 219 P CB 0.011 31.723 31.700 0.019 0.000 0.783 220 R N -2.269 118.259 120.500 0.046 0.000 2.279 220 R HA 0.177 4.517 4.340 -0.000 0.000 0.195 220 R C 1.915 178.281 176.300 0.109 0.000 0.905 220 R CA -0.108 56.028 56.100 0.060 0.000 1.044 220 R CB -0.658 29.677 30.300 0.058 0.000 1.056 220 R HN 0.094 nan 8.270 nan 0.000 0.535 221 L N 0.099 121.391 121.223 0.116 0.000 2.217 221 L HA 0.117 4.457 4.340 -0.000 0.000 0.211 221 L C 1.644 178.637 176.870 0.204 0.000 1.107 221 L CA 1.672 56.614 54.840 0.169 0.000 0.783 221 L CB -0.325 41.797 42.059 0.105 0.000 0.919 221 L HN 0.146 nan 8.230 nan 0.000 0.442 222 G N -0.632 108.230 108.800 0.103 0.000 2.985 222 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.209 222 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.209 222 G C 0.360 175.278 174.900 0.029 0.000 1.165 222 G CA 0.148 45.284 45.100 0.061 0.000 0.776 222 G HN 0.590 nan 8.290 nan 0.000 0.541 223 E N 0.648 120.857 120.200 0.016 0.000 2.338 223 E HA 0.458 4.808 4.350 -0.000 0.000 0.272 223 E C -0.652 175.854 176.600 -0.157 0.000 1.029 223 E CA -0.516 55.850 56.400 -0.056 0.000 0.872 223 E CB 0.954 30.625 29.700 -0.049 0.000 1.015 223 E HN 0.051 nan 8.360 nan 0.000 0.417 224 L N 2.572 123.719 121.223 -0.126 0.000 2.342 224 L HA 0.493 4.832 4.340 -0.000 0.000 0.271 224 L C 0.622 177.420 176.870 -0.120 0.000 1.008 224 L CA -0.943 53.815 54.840 -0.137 0.000 0.818 224 L CB 1.838 43.851 42.059 -0.076 0.000 1.296 224 L HN 0.839 nan 8.230 nan 0.000 0.427 225 A N 2.236 124.988 122.820 -0.114 0.000 2.178 225 A HA 0.132 4.452 4.320 -0.000 0.000 0.211 225 A C 0.719 178.283 177.584 -0.033 0.000 1.157 225 A CA -0.001 51.989 52.037 -0.078 0.000 0.780 225 A CB -0.091 18.870 19.000 -0.064 0.000 0.828 225 A HN 0.550 nan 8.150 nan 0.000 0.476 226 I N 0.351 120.914 120.570 -0.012 0.000 2.826 226 I HA 0.310 4.480 4.170 -0.000 0.000 0.295 226 I C 1.410 177.575 176.117 0.080 0.000 1.213 226 I CA 1.649 62.978 61.300 0.047 0.000 1.436 226 I CB 0.339 38.357 38.000 0.030 0.000 1.348 226 I HN 0.560 nan 8.210 nan 0.000 0.570 227 G N 4.391 113.300 108.800 0.181 0.000 2.254 227 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.225 227 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.225 227 G C 1.036 175.965 174.900 0.048 0.000 1.003 227 G CA 0.244 45.462 45.100 0.197 0.000 0.622 227 G HN 1.196 nan 8.290 nan 0.000 0.507 228 G N 0.469 109.262 108.800 -0.012 0.000 2.572 228 G HA2 0.410 4.370 3.960 -0.000 0.000 0.216 228 G HA3 0.410 4.370 3.960 -0.000 0.000 0.216 228 G C 1.456 176.317 174.900 -0.066 0.000 1.133 228 G CA 2.635 47.681 45.100 -0.090 0.000 0.791 228 G HN 2.156 nan 8.290 nan 0.000 0.538 229 T N -1.455 113.085 114.554 -0.023 0.000 14.123 229 T HA -0.388 3.961 4.350 -0.000 0.000 0.422 229 T C 1.910 176.607 174.700 -0.006 0.000 1.439 229 T CA 2.011 64.100 62.100 -0.018 0.000 2.346 229 T CB -1.463 67.383 68.868 -0.036 0.000 2.754 229 T HN 1.293 nan 8.240 nan 0.000 0.247 230 A N 1.075 123.895 122.820 0.001 0.000 1.898 230 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 230 A C 2.654 180.261 177.584 0.039 0.000 1.181 230 A CA 3.761 55.810 52.037 0.020 0.000 0.620 230 A CB -0.760 18.251 19.000 0.019 0.000 0.819 230 A HN 2.057 nan 8.150 nan 0.000 0.442 231 V N -6.307 113.634 119.914 0.045 0.000 3.382 231 V HA 0.619 4.739 4.120 -0.000 0.000 0.296 231 V C 1.138 177.281 176.094 0.083 0.000 1.529 231 V CA 0.659 63.018 62.300 0.099 0.000 1.048 231 V CB -0.332 31.578 31.823 0.145 0.000 0.878 231 V HN 1.519 nan 8.190 nan 0.000 0.442 232 G N 1.451 110.198 108.800 -0.088 0.000 2.201 232 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.212 232 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.212 232 G C 0.968 175.501 174.900 -0.613 0.000 0.994 232 G CA 0.931 45.766 45.100 -0.441 0.000 0.644 232 G HN 1.076 nan 8.290 nan 0.000 0.508 233 T N -1.584 112.869 114.554 -0.168 0.000 3.023 233 T HA 0.389 4.739 4.350 -0.000 0.000 0.266 233 T C 2.548 177.218 174.700 -0.050 0.000 1.093 233 T CA 1.924 64.013 62.100 -0.020 0.000 1.129 233 T CB 0.031 68.981 68.868 0.136 0.000 0.899 233 T HN 2.226 nan 8.240 nan 0.000 0.491 234 G N 0.899 109.658 108.800 -0.068 0.000 2.179 234 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 234 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 234 G C -0.009 174.874 174.900 -0.029 0.000 0.977 234 G CA 0.011 45.084 45.100 -0.045 0.000 0.641 234 G HN 0.776 nan 8.290 nan 0.000 0.533 235 L N 0.991 122.206 121.223 -0.012 0.000 2.706 235 L HA 0.223 4.563 4.340 -0.000 0.000 0.282 235 L C 1.034 177.883 176.870 -0.035 0.000 1.219 235 L CA 1.734 56.567 54.840 -0.012 0.000 0.935 235 L CB -0.363 41.699 42.059 0.005 0.000 1.204 235 L HN 0.468 nan 8.230 nan 0.000 0.491 236 N N 1.381 120.055 118.700 -0.043 0.000 2.901 236 N HA -0.180 4.559 4.740 -0.000 0.000 0.248 236 N C -0.438 175.000 175.510 -0.119 0.000 1.044 236 N CA 1.146 54.155 53.050 -0.068 0.000 0.847 236 N CB -1.603 36.847 38.487 -0.061 0.000 1.127 236 N HN 0.840 nan 8.380 nan 0.000 0.562 237 A N -0.227 122.520 122.820 -0.121 0.000 2.435 237 A HA 0.771 5.090 4.320 -0.000 0.000 0.304 237 A C -2.474 175.053 177.584 -0.094 0.000 1.064 237 A CA -1.341 50.578 52.037 -0.197 0.000 0.727 237 A CB 1.392 20.255 19.000 -0.228 0.000 1.284 237 A HN -0.107 nan 8.150 nan 0.000 0.415 238 P HA 0.033 nan 4.420 nan 0.000 0.265 238 P C 0.109 177.452 177.300 0.070 0.000 1.187 238 P CA 0.056 63.173 63.100 0.028 0.000 0.766 238 P CB 0.539 32.300 31.700 0.102 0.000 0.820 239 D N 1.759 122.190 120.400 0.052 0.000 2.158 239 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 239 D C 0.631 176.970 176.300 0.065 0.000 0.995 239 D CA 1.472 55.501 54.000 0.048 0.000 0.846 239 D CB -0.196 40.624 40.800 0.033 0.000 0.941 239 D HN 0.578 nan 8.370 nan 0.000 0.456 240 D N -0.509 119.940 120.400 0.081 0.000 2.463 240 D HA -0.037 4.602 4.640 -0.000 0.000 0.224 240 D C 1.411 177.766 176.300 0.093 0.000 1.174 240 D CA -0.506 53.534 54.000 0.066 0.000 0.829 240 D CB -0.673 40.150 40.800 0.039 0.000 0.993 240 D HN 0.066 nan 8.370 nan 0.000 0.497 241 F N 2.344 122.285 119.950 -0.015 0.000 2.069 241 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 241 F C 2.325 178.114 175.800 -0.018 0.000 1.113 241 F CA 2.141 60.133 58.000 -0.014 0.000 1.214 241 F CB -0.464 38.528 39.000 -0.014 0.000 0.978 241 F HN 0.108 nan 8.300 nan 0.000 0.474 242 G N 0.029 108.855 108.800 0.044 0.000 2.514 242 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 242 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 242 G C 1.823 176.651 174.900 -0.120 0.000 1.198 242 G CA 1.529 46.594 45.100 -0.059 0.000 0.780 242 G HN 0.341 nan 8.290 nan 0.000 0.565 243 V N 0.705 120.576 119.914 -0.072 0.000 2.332 243 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 243 V C 2.999 179.033 176.094 -0.100 0.000 1.055 243 V CA 2.337 64.596 62.300 -0.069 0.000 1.038 243 V CB -0.474 31.327 31.823 -0.036 0.000 0.651 243 V HN 0.345 nan 8.190 nan 0.000 0.450 244 R N -0.750 119.670 120.500 -0.133 0.000 2.075 244 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 244 R C 2.223 178.395 176.300 -0.213 0.000 1.126 244 R CA 1.284 57.293 56.100 -0.152 0.000 0.963 244 R CB -0.489 29.726 30.300 -0.142 0.000 0.858 244 R HN 0.405 nan 8.270 nan 0.000 0.435 245 V N 0.493 120.200 119.914 -0.345 0.000 2.295 245 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 245 V C 2.297 178.279 176.094 -0.186 0.000 1.049 245 V CA 1.598 63.698 62.300 -0.333 0.000 1.024 245 V CB -0.326 31.208 31.823 -0.481 0.000 0.648 245 V HN 0.127 nan 8.190 nan 0.000 0.447 246 V N 0.328 120.151 119.914 -0.153 0.000 2.407 246 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 246 V C 2.719 178.764 176.094 -0.082 0.000 1.055 246 V CA 1.919 64.160 62.300 -0.099 0.000 1.049 246 V CB -1.139 30.636 31.823 -0.080 0.000 0.662 246 V HN 0.560 nan 8.190 nan 0.000 0.455 247 A N -0.151 122.619 122.820 -0.083 0.000 1.908 247 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 247 A C 2.396 179.943 177.584 -0.062 0.000 1.181 247 A CA 2.215 54.214 52.037 -0.064 0.000 0.627 247 A CB -0.710 18.255 19.000 -0.060 0.000 0.818 247 A HN 0.348 nan 8.150 nan 0.000 0.445 248 V N -0.056 119.813 119.914 -0.076 0.000 2.343 248 V HA -0.247 3.872 4.120 -0.000 0.000 0.247 248 V C 2.562 178.623 176.094 -0.055 0.000 1.051 248 V CA 1.915 64.177 62.300 -0.064 0.000 1.036 248 V CB -0.750 31.029 31.823 -0.074 0.000 0.654 248 V HN 0.562 nan 8.190 nan 0.000 0.451 249 L N -0.551 120.634 121.223 -0.063 0.000 2.017 249 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 249 L C 2.488 179.331 176.870 -0.045 0.000 1.073 249 L CA 1.186 55.995 54.840 -0.052 0.000 0.745 249 L CB -0.667 41.358 42.059 -0.057 0.000 0.894 249 L HN 0.178 nan 8.230 nan 0.000 0.432 250 V N 0.102 119.988 119.914 -0.046 0.000 2.332 250 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 250 V C 2.724 178.797 176.094 -0.035 0.000 1.055 250 V CA 1.946 64.222 62.300 -0.040 0.000 1.038 250 V CB -0.964 30.836 31.823 -0.038 0.000 0.651 250 V HN 0.506 nan 8.190 nan 0.000 0.450 251 A N -1.082 121.717 122.820 -0.035 0.000 1.930 251 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 251 A C 2.189 179.756 177.584 -0.027 0.000 1.175 251 A CA 1.724 53.743 52.037 -0.030 0.000 0.627 251 A CB -0.370 18.613 19.000 -0.029 0.000 0.815 251 A HN 0.632 nan 8.150 nan 0.000 0.443 252 Q N -0.902 118.881 119.800 -0.029 0.000 2.096 252 Q HA -0.094 4.246 4.340 -0.000 0.000 0.197 252 Q C 2.277 178.261 176.000 -0.026 0.000 0.964 252 Q CA 1.852 57.641 55.803 -0.024 0.000 0.838 252 Q CB -0.223 28.501 28.738 -0.023 0.000 0.906 252 Q HN 0.856 nan 8.270 nan 0.000 0.444 253 T N -3.922 110.613 114.554 -0.031 0.000 3.044 253 T HA 0.201 4.550 4.350 -0.000 0.000 0.255 253 T C 1.455 176.133 174.700 -0.037 0.000 1.073 253 T CA 0.646 62.725 62.100 -0.034 0.000 1.125 253 T CB 0.379 69.224 68.868 -0.038 0.000 0.908 253 T HN 0.426 nan 8.240 nan 0.000 0.480 254 G N 1.371 110.149 108.800 -0.036 0.000 2.143 254 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.248 254 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.248 254 G C -0.022 174.853 174.900 -0.040 0.000 0.991 254 G CA 0.165 45.244 45.100 -0.036 0.000 0.689 254 G HN 0.620 nan 8.290 nan 0.000 0.522 255 L N 2.305 123.502 121.223 -0.042 0.000 2.358 255 L HA 0.330 4.670 4.340 -0.000 0.000 0.274 255 L C 1.988 178.836 176.870 -0.037 0.000 1.136 255 L CA 0.162 54.975 54.840 -0.044 0.000 0.970 255 L CB 0.957 42.987 42.059 -0.049 0.000 1.314 255 L HN 0.356 nan 8.230 nan 0.000 0.427 256 S N -0.183 115.497 115.700 -0.033 0.000 2.469 256 S HA -0.174 4.296 4.470 -0.000 0.000 0.238 256 S C 1.370 175.955 174.600 -0.025 0.000 0.998 256 S CA 0.824 59.007 58.200 -0.028 0.000 0.957 256 S CB -0.060 63.125 63.200 -0.025 0.000 0.764 256 S HN 0.631 nan 8.310 nan 0.000 0.514 257 E N 1.146 121.330 120.200 -0.025 0.000 2.274 257 E HA 0.210 4.560 4.350 -0.000 0.000 0.194 257 E C 0.354 176.945 176.600 -0.016 0.000 0.996 257 E CA 0.141 56.530 56.400 -0.018 0.000 0.840 257 E CB -0.327 29.362 29.700 -0.018 0.000 0.772 257 E HN 0.588 nan 8.360 nan 0.000 0.491 258 L N 2.044 123.253 121.223 -0.023 0.000 2.456 258 L HA 0.224 4.564 4.340 -0.000 0.000 0.272 258 L C 0.486 177.340 176.870 -0.027 0.000 1.189 258 L CA 0.192 55.018 54.840 -0.024 0.000 0.846 258 L CB 0.257 42.297 42.059 -0.032 0.000 1.111 258 L HN 0.133 nan 8.230 nan 0.000 0.475 259 R N 0.031 120.513 120.500 -0.029 0.000 2.687 259 R HA 0.387 4.727 4.340 -0.000 0.000 0.265 259 R C -0.961 175.315 176.300 -0.041 0.000 1.048 259 R CA -0.873 55.208 56.100 -0.032 0.000 0.884 259 R CB 0.811 31.098 30.300 -0.022 0.000 1.258 259 R HN 0.551 nan 8.270 nan 0.000 0.469 260 T N -0.053 114.476 114.554 -0.042 0.000 2.903 260 T HA 0.448 4.798 4.350 -0.000 0.000 0.314 260 T C 0.854 175.528 174.700 -0.044 0.000 1.078 260 T CA -0.159 61.913 62.100 -0.047 0.000 1.114 260 T CB 0.860 69.704 68.868 -0.041 0.000 0.987 260 T HN 0.760 nan 8.240 nan 0.000 0.548 261 A N 1.470 124.257 122.820 -0.055 0.000 2.445 261 A HA 0.600 4.920 4.320 -0.000 0.000 0.242 261 A C 1.783 179.350 177.584 -0.028 0.000 1.075 261 A CA -0.188 51.819 52.037 -0.050 0.000 0.777 261 A CB -0.489 18.470 19.000 -0.069 0.000 1.013 261 A HN 1.354 nan 8.150 nan 0.000 0.493 262 A N 1.578 124.390 122.820 -0.013 0.000 1.902 262 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 262 A C 1.116 178.709 177.584 0.016 0.000 1.181 262 A CA 1.695 53.734 52.037 0.004 0.000 0.623 262 A CB -0.249 18.757 19.000 0.011 0.000 0.818 262 A HN 0.842 nan 8.150 nan 0.000 0.443 263 N N -0.861 117.851 118.700 0.020 0.000 2.461 263 N HA 0.153 4.893 4.740 -0.000 0.000 0.284 263 N C 0.535 176.052 175.510 0.012 0.000 1.049 263 N CA 0.561 53.644 53.050 0.055 0.000 0.889 263 N CB 1.864 40.412 38.487 0.101 0.000 1.365 263 N HN 0.156 nan 8.380 nan 0.000 0.499 264 S N 2.740 118.390 115.700 -0.082 0.000 2.481 264 S HA -0.009 4.461 4.470 -0.000 0.000 0.231 264 S C 1.351 175.761 174.600 -0.316 0.000 0.996 264 S CA 0.503 58.556 58.200 -0.245 0.000 0.942 264 S CB -0.390 62.591 63.200 -0.365 0.000 0.768 264 S HN 0.491 nan 8.310 nan 0.000 0.520 265 F N 2.077 122.038 119.950 0.018 0.000 2.179 265 F HA 0.201 4.728 4.527 -0.000 0.000 0.292 265 F C 2.856 178.670 175.800 0.022 0.000 1.089 265 F CA 0.926 58.941 58.000 0.025 0.000 1.295 265 F CB -0.472 38.545 39.000 0.028 0.000 1.041 265 F HN 0.190 nan 8.300 nan 0.000 0.487 266 E N 1.319 121.637 120.200 0.195 0.000 2.160 266 E HA -0.203 4.146 4.350 -0.000 0.000 0.195 266 E C 2.084 178.720 176.600 0.060 0.000 0.991 266 E CA 1.192 57.657 56.400 0.108 0.000 0.810 266 E CB -0.176 29.573 29.700 0.081 0.000 0.742 266 E HN 0.330 nan 8.360 nan 0.000 0.466 267 A N 0.178 123.012 122.820 0.022 0.000 2.167 267 A HA -0.070 4.249 4.320 -0.000 0.000 0.214 267 A C 1.847 179.422 177.584 -0.016 0.000 1.151 267 A CA 0.809 52.828 52.037 -0.029 0.000 0.735 267 A CB -0.012 18.943 19.000 -0.075 0.000 0.802 267 A HN 0.293 nan 8.150 nan 0.000 0.467 268 Q N -1.972 117.842 119.800 0.024 0.000 2.369 268 Q HA 0.274 4.614 4.340 -0.000 0.000 0.254 268 Q C 1.941 177.995 176.000 0.091 0.000 0.858 268 Q CA 0.561 56.394 55.803 0.050 0.000 0.961 268 Q CB 0.232 28.990 28.738 0.034 0.000 1.119 268 Q HN 0.527 nan 8.270 nan 0.000 0.538 269 A N 0.864 123.748 122.820 0.106 0.000 2.167 269 A HA 0.422 4.742 4.320 -0.000 0.000 0.214 269 A C 0.862 178.500 177.584 0.091 0.000 1.151 269 A CA 0.944 53.050 52.037 0.114 0.000 0.735 269 A CB 0.108 19.184 19.000 0.126 0.000 0.802 269 A HN 0.269 nan 8.150 nan 0.000 0.467 270 A N -1.408 121.462 122.820 0.085 0.000 2.566 270 A HA 0.766 5.086 4.320 -0.000 0.000 0.292 270 A C -0.192 177.451 177.584 0.099 0.000 1.112 270 A CA -0.690 51.393 52.037 0.077 0.000 0.707 270 A CB 0.934 19.966 19.000 0.054 0.000 1.302 270 A HN 0.001 nan 8.150 nan 0.000 0.409 271 R N 0.560 121.124 120.500 0.108 0.000 2.698 271 R HA 0.167 4.507 4.340 -0.000 0.000 0.422 271 R C -0.667 175.709 176.300 0.127 0.000 1.073 271 R CA -0.206 55.987 56.100 0.155 0.000 1.054 271 R CB 0.316 30.713 30.300 0.161 0.000 1.373 271 R HN 0.766 nan 8.270 nan 0.000 0.593 272 D N 0.022 120.481 120.400 0.097 0.000 2.178 272 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 272 D C 1.824 178.176 176.300 0.087 0.000 0.980 272 D CA 1.520 55.562 54.000 0.070 0.000 0.842 272 D CB 0.073 40.902 40.800 0.047 0.000 0.948 272 D HN 0.398 nan 8.370 nan 0.000 0.472 273 G N 0.691 109.577 108.800 0.143 0.000 2.432 273 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 273 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 273 G C 1.721 176.681 174.900 0.099 0.000 1.135 273 G CA 0.277 45.473 45.100 0.161 0.000 0.767 273 G HN 0.264 nan 8.290 nan 0.000 0.550 274 L N 0.172 121.435 121.223 0.066 0.000 2.072 274 L HA -0.038 4.301 4.340 -0.000 0.000 0.205 274 L C 2.963 179.841 176.870 0.013 0.000 1.079 274 L CA 0.374 55.206 54.840 -0.012 0.000 0.752 274 L CB -0.576 41.460 42.059 -0.037 0.000 0.906 274 L HN 0.073 nan 8.230 nan 0.000 0.436 275 V N 0.193 120.124 119.914 0.029 0.000 2.343 275 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 275 V C 2.504 178.605 176.094 0.012 0.000 1.051 275 V CA 2.050 64.361 62.300 0.017 0.000 1.036 275 V CB -0.525 31.308 31.823 0.018 0.000 0.654 275 V HN 0.524 nan 8.190 nan 0.000 0.451 276 E N 0.438 120.653 120.200 0.025 0.000 2.077 276 E HA -0.226 4.123 4.350 -0.000 0.000 0.193 276 E C 2.230 178.840 176.600 0.017 0.000 0.989 276 E CA 1.416 57.830 56.400 0.023 0.000 0.800 276 E CB -0.218 29.504 29.700 0.037 0.000 0.746 276 E HN 0.554 nan 8.360 nan 0.000 0.452 277 A N 0.479 123.315 122.820 0.026 0.000 1.930 277 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 277 A C 2.318 179.869 177.584 -0.055 0.000 1.175 277 A CA 1.701 53.754 52.037 0.026 0.000 0.627 277 A CB -0.708 18.352 19.000 0.100 0.000 0.815 277 A HN 0.332 nan 8.150 nan 0.000 0.443 278 S N -0.530 115.134 115.700 -0.061 0.000 2.382 278 S HA -0.031 4.439 4.470 -0.000 0.000 0.228 278 S C 2.039 176.593 174.600 -0.078 0.000 1.027 278 S CA 1.576 59.717 58.200 -0.099 0.000 0.991 278 S CB -0.654 62.510 63.200 -0.060 0.000 0.823 278 S HN 0.705 nan 8.310 nan 0.000 0.469 279 G N 0.772 109.547 108.800 -0.041 0.000 2.469 279 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.219 279 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.219 279 G C 1.613 176.492 174.900 -0.035 0.000 1.150 279 G CA 1.049 46.132 45.100 -0.029 0.000 0.763 279 G HN 0.677 nan 8.290 nan 0.000 0.561 280 A N 0.440 123.237 122.820 -0.039 0.000 1.897 280 A HA 0.193 4.513 4.320 -0.000 0.000 0.215 280 A C 2.436 179.982 177.584 -0.064 0.000 1.181 280 A CA 1.078 53.095 52.037 -0.033 0.000 0.620 280 A CB -0.343 18.652 19.000 -0.009 0.000 0.821 280 A HN 0.336 nan 8.150 nan 0.000 0.443 281 L N -0.866 120.280 121.223 -0.128 0.000 2.046 281 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 281 L C 2.811 179.614 176.870 -0.112 0.000 1.077 281 L CA 1.834 56.569 54.840 -0.175 0.000 0.747 281 L CB -0.586 41.280 42.059 -0.322 0.000 0.896 281 L HN 0.492 nan 8.230 nan 0.000 0.432 282 R N -0.032 120.414 120.500 -0.090 0.000 2.081 282 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 282 R C 2.184 178.460 176.300 -0.040 0.000 1.131 282 R CA 1.993 58.058 56.100 -0.059 0.000 0.960 282 R CB -0.264 30.009 30.300 -0.045 0.000 0.856 282 R HN 0.244 nan 8.270 nan 0.000 0.436 283 T N 1.246 115.781 114.554 -0.032 0.000 2.788 283 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 283 T C 1.791 176.483 174.700 -0.013 0.000 1.044 283 T CA 1.526 63.616 62.100 -0.016 0.000 1.139 283 T CB -0.105 68.758 68.868 -0.008 0.000 0.867 283 T HN 0.234 nan 8.240 nan 0.000 0.454 284 I N 1.141 121.699 120.570 -0.020 0.000 2.394 284 I HA -0.133 4.037 4.170 -0.000 0.000 0.251 284 I C 2.825 178.932 176.117 -0.018 0.000 1.136 284 I CA 0.868 62.162 61.300 -0.009 0.000 1.425 284 I CB -0.393 37.601 38.000 -0.011 0.000 1.079 284 I HN 0.184 nan 8.210 nan 0.000 0.425 285 A N 0.435 123.234 122.820 -0.035 0.000 1.902 285 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 285 A C 2.437 180.000 177.584 -0.034 0.000 1.181 285 A CA 1.522 53.533 52.037 -0.042 0.000 0.623 285 A CB -0.887 18.082 19.000 -0.051 0.000 0.818 285 A HN 0.220 nan 8.150 nan 0.000 0.443 286 V N 0.065 119.965 119.914 -0.024 0.000 2.287 286 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 286 V C 2.825 178.913 176.094 -0.011 0.000 1.053 286 V CA 2.451 64.742 62.300 -0.016 0.000 1.027 286 V CB -0.893 30.925 31.823 -0.009 0.000 0.646 286 V HN 0.577 nan 8.190 nan 0.000 0.447 287 S N 0.008 115.707 115.700 -0.002 0.000 2.356 287 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 287 S C 1.911 176.506 174.600 -0.008 0.000 1.032 287 S CA 1.554 59.760 58.200 0.009 0.000 1.005 287 S CB -0.404 62.813 63.200 0.030 0.000 0.867 287 S HN 0.462 nan 8.310 nan 0.000 0.449 288 L N 1.062 122.276 121.223 -0.015 0.000 2.083 288 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 288 L C 2.671 179.492 176.870 -0.082 0.000 1.083 288 L CA 1.134 55.952 54.840 -0.037 0.000 0.752 288 L CB -1.133 40.896 42.059 -0.050 0.000 0.899 288 L HN 0.316 nan 8.230 nan 0.000 0.433 289 T N -0.734 113.779 114.554 -0.067 0.000 2.746 289 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 289 T C 2.033 176.701 174.700 -0.053 0.000 1.039 289 T CA 1.119 63.180 62.100 -0.065 0.000 1.142 289 T CB -0.095 68.749 68.868 -0.040 0.000 0.866 289 T HN 0.131 nan 8.240 nan 0.000 0.444 290 K N 0.928 121.302 120.400 -0.044 0.000 2.026 290 K HA -0.016 4.304 4.320 -0.000 0.000 0.208 290 K C 2.265 178.788 176.600 -0.130 0.000 1.048 290 K CA 1.312 57.574 56.287 -0.042 0.000 0.929 290 K CB -0.587 31.907 32.500 -0.011 0.000 0.713 290 K HN 0.369 nan 8.250 nan 0.000 0.439 291 I N 0.769 121.212 120.570 -0.212 0.000 2.179 291 I HA -0.268 3.901 4.170 -0.000 0.000 0.242 291 I C 2.460 178.430 176.117 -0.244 0.000 1.088 291 I CA 1.347 62.367 61.300 -0.467 0.000 1.357 291 I CB -0.337 37.462 38.000 -0.334 0.000 1.051 291 I HN 0.117 nan 8.210 nan 0.000 0.409 292 A N 0.597 123.353 122.820 -0.107 0.000 1.969 292 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 292 A C 2.086 179.649 177.584 -0.035 0.000 1.169 292 A CA 1.653 53.639 52.037 -0.084 0.000 0.635 292 A CB -0.595 18.234 19.000 -0.284 0.000 0.810 292 A HN 0.400 nan 8.150 nan 0.000 0.445 293 N N 0.534 119.223 118.700 -0.018 0.000 2.106 293 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 293 N C 1.140 176.769 175.510 0.198 0.000 1.029 293 N CA 1.561 54.668 53.050 0.095 0.000 0.848 293 N CB -0.441 38.127 38.487 0.135 0.000 1.007 293 N HN 0.401 nan 8.380 nan 0.000 0.423 294 D N 0.889 121.347 120.400 0.096 0.000 2.123 294 D HA -0.075 4.565 4.640 -0.000 0.000 0.196 294 D C 2.093 178.504 176.300 0.185 0.000 0.992 294 D CA 0.559 54.647 54.000 0.146 0.000 0.833 294 D CB -0.255 40.582 40.800 0.062 0.000 0.954 294 D HN 0.296 nan 8.370 nan 0.000 0.455 295 I N 0.924 121.555 120.570 0.101 0.000 2.252 295 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 295 I C 2.503 178.715 176.117 0.157 0.000 1.102 295 I CA 0.970 62.375 61.300 0.175 0.000 1.385 295 I CB -0.124 38.000 38.000 0.206 0.000 1.064 295 I HN 0.044 nan 8.210 nan 0.000 0.414 296 R N -0.078 120.472 120.500 0.083 0.000 2.153 296 R HA -0.129 4.211 4.340 -0.000 0.000 0.218 296 R C 1.906 178.161 176.300 -0.075 0.000 1.072 296 R CA 0.877 56.961 56.100 -0.027 0.000 0.990 296 R CB -0.814 29.406 30.300 -0.133 0.000 0.889 296 R HN 0.306 nan 8.270 nan 0.000 0.452 297 W N 1.518 122.846 121.300 0.047 0.000 2.381 297 W HA 0.089 4.748 4.660 -0.000 0.000 0.301 297 W C 2.370 178.927 176.519 0.064 0.000 1.205 297 W CA 0.822 58.195 57.345 0.047 0.000 1.285 297 W CB -0.079 29.406 29.460 0.040 0.000 1.133 297 W HN -0.032 nan 8.180 nan 0.000 0.521 298 M N -0.091 119.691 119.600 0.304 0.000 2.213 298 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 298 M C 2.326 178.725 176.300 0.164 0.000 1.062 298 M CA 1.796 57.234 55.300 0.229 0.000 1.105 298 M CB -1.038 31.706 32.600 0.240 0.000 1.385 298 M HN 0.166 nan 8.290 nan 0.000 0.417 299 G N 0.259 109.137 108.800 0.131 0.000 2.422 299 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 299 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 299 G C 0.745 175.679 174.900 0.057 0.000 1.146 299 G CA 0.694 45.842 45.100 0.079 0.000 0.769 299 G HN 0.560 nan 8.290 nan 0.000 0.547 300 S N 0.350 116.085 115.700 0.058 0.000 2.572 300 S HA 0.494 4.963 4.470 -0.000 0.000 0.279 300 S C 0.700 175.309 174.600 0.014 0.000 1.341 300 S CA -0.271 57.918 58.200 -0.019 0.000 1.043 300 S CB 1.399 64.534 63.200 -0.110 0.000 0.887 300 S HN 0.491 nan 8.310 nan 0.000 0.516 301 G N 1.865 110.653 108.800 -0.020 0.000 2.569 301 G HA2 0.419 4.379 3.960 -0.000 0.000 0.249 301 G HA3 0.419 4.379 3.960 -0.000 0.000 0.249 301 G C -1.130 173.771 174.900 0.002 0.000 1.216 301 G CA -1.482 43.611 45.100 -0.012 0.000 0.845 301 G HN 0.606 nan 8.290 nan 0.000 0.568 302 P HA -0.105 nan 4.420 nan 0.000 0.217 302 P C 1.741 179.031 177.300 -0.017 0.000 1.150 302 P CA 0.585 63.676 63.100 -0.015 0.000 0.832 302 P CB 0.305 31.991 31.700 -0.025 0.000 0.787 303 L N 0.007 121.226 121.223 -0.008 0.000 2.253 303 L HA 0.108 4.447 4.340 -0.000 0.000 0.205 303 L C 1.992 178.873 176.870 0.018 0.000 1.078 303 L CA 2.124 56.961 54.840 -0.005 0.000 0.805 303 L CB -1.332 40.724 42.059 -0.005 0.000 0.963 303 L HN 0.003 nan 8.230 nan 0.000 0.459 304 T N -3.059 111.512 114.554 0.028 0.000 3.122 304 T HA 0.462 4.812 4.350 -0.000 0.000 0.250 304 T C 0.770 175.518 174.700 0.081 0.000 1.067 304 T CA 0.083 62.212 62.100 0.048 0.000 0.966 304 T CB -0.265 68.628 68.868 0.042 0.000 1.002 304 T HN 0.313 nan 8.240 nan 0.000 0.542 305 G N 0.770 109.620 108.800 0.085 0.000 3.122 305 G HA2 0.553 4.512 3.960 -0.000 0.000 0.180 305 G HA3 0.553 4.512 3.960 -0.000 0.000 0.180 305 G C 0.021 175.011 174.900 0.151 0.000 1.279 305 G CA -0.741 44.443 45.100 0.141 0.000 0.987 305 G HN 0.124 nan 8.290 nan 0.000 0.589 306 L N 0.556 121.894 121.223 0.191 0.000 2.249 306 L HA 0.317 4.657 4.340 -0.000 0.000 0.207 306 L C 2.452 179.421 176.870 0.166 0.000 1.090 306 L CA 1.241 56.190 54.840 0.182 0.000 0.802 306 L CB -0.977 41.207 42.059 0.208 0.000 0.947 306 L HN 1.027 nan 8.230 nan 0.000 0.453 307 A N -0.356 122.534 122.820 0.116 0.000 2.704 307 A HA -0.292 4.027 4.320 -0.000 0.000 0.299 307 A C 1.640 179.284 177.584 0.100 0.000 1.507 307 A CA 1.190 53.263 52.037 0.060 0.000 0.776 307 A CB -1.902 17.074 19.000 -0.040 0.000 1.027 307 A HN 0.580 nan 8.150 nan 0.000 0.475 308 E N -0.918 119.356 120.200 0.123 0.000 2.170 308 E HA 0.173 4.523 4.350 -0.000 0.000 0.191 308 E C 1.141 177.753 176.600 0.019 0.000 0.981 308 E CA 1.183 57.642 56.400 0.098 0.000 0.830 308 E CB 0.021 29.772 29.700 0.085 0.000 0.775 308 E HN 1.071 nan 8.360 nan 0.000 0.470 309 I N -2.439 118.157 120.570 0.042 0.000 3.174 309 I HA 0.384 4.553 4.170 -0.000 0.000 0.313 309 I C -1.440 174.712 176.117 0.060 0.000 1.155 309 I CA -1.200 60.116 61.300 0.027 0.000 0.977 309 I CB 2.106 40.151 38.000 0.076 0.000 1.248 309 I HN -0.293 nan 8.210 nan 0.000 0.453 310 Q N 2.659 122.501 119.800 0.070 0.000 2.327 310 Q HA 0.531 4.870 4.340 -0.000 0.000 0.270 310 Q C -1.499 174.555 176.000 0.090 0.000 1.022 310 Q CA -0.871 54.972 55.803 0.066 0.000 0.773 310 Q CB 2.685 31.449 28.738 0.044 0.000 1.251 310 Q HN 0.441 nan 8.270 nan 0.000 0.457 311 L N 4.742 126.016 121.223 0.084 0.000 2.426 311 L HA 0.294 4.634 4.340 -0.000 0.000 0.271 311 L C -1.889 175.020 176.870 0.065 0.000 1.169 311 L CA -1.187 53.706 54.840 0.089 0.000 0.836 311 L CB -0.166 41.944 42.059 0.086 0.000 1.112 311 L HN 0.435 nan 8.230 nan 0.000 0.465 312 P HA 0.059 nan 4.420 nan 0.000 0.272 312 P C -0.812 176.512 177.300 0.040 0.000 1.223 312 P CA -0.476 62.651 63.100 0.046 0.000 0.784 312 P CB 0.690 32.414 31.700 0.040 0.000 0.923 313 D N 0.779 121.197 120.400 0.030 0.000 2.313 313 D HA 0.092 4.732 4.640 -0.000 0.000 0.247 313 D C 1.519 177.835 176.300 0.026 0.000 1.094 313 D CA -0.387 53.629 54.000 0.026 0.000 0.925 313 D CB 0.942 41.753 40.800 0.018 0.000 1.188 313 D HN 0.214 nan 8.370 nan 0.000 0.430 314 L N 0.922 122.160 121.223 0.025 0.000 2.131 314 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 314 L C 0.649 177.533 176.870 0.023 0.000 1.092 314 L CA 1.381 56.237 54.840 0.028 0.000 0.759 314 L CB -0.089 41.987 42.059 0.027 0.000 0.903 314 L HN 0.346 nan 8.230 nan 0.000 0.435 315 Q N -1.094 118.717 119.800 0.018 0.000 2.372 315 Q HA 0.404 4.744 4.340 -0.000 0.000 0.273 315 Q C -2.049 173.958 176.000 0.012 0.000 1.078 315 Q CA -1.755 54.057 55.803 0.014 0.000 0.806 315 Q CB 1.538 30.284 28.738 0.012 0.000 1.332 315 Q HN -0.006 nan 8.270 nan 0.000 0.435 324 K N 2.065 122.463 120.400 -0.003 0.000 2.307 324 K HA 0.514 4.834 4.320 -0.000 0.000 0.240 324 K C -0.843 175.756 176.600 -0.002 0.000 1.214 324 K CA -0.035 56.249 56.287 -0.005 0.000 1.149 324 K CB 0.207 32.703 32.500 -0.006 0.000 1.668 324 K HN -0.001 nan 8.250 nan 0.000 0.314 325 V N 3.351 123.266 119.914 0.002 0.000 2.417 325 V HA 0.139 4.258 4.120 -0.000 0.000 0.291 325 V C -0.143 175.950 176.094 -0.003 0.000 1.024 325 V CA -1.118 61.185 62.300 0.005 0.000 0.861 325 V CB 1.441 33.274 31.823 0.017 0.000 0.985 325 V HN 0.595 nan 8.190 nan 0.000 0.436 326 N N 6.562 125.257 118.700 -0.008 0.000 2.454 326 N HA 0.160 4.900 4.740 -0.000 0.000 0.260 326 N C -2.069 173.433 175.510 -0.014 0.000 1.218 326 N CA -1.282 51.757 53.050 -0.020 0.000 0.904 326 N CB 0.869 39.343 38.487 -0.022 0.000 1.065 326 N HN 0.427 nan 8.380 nan 0.000 0.462 327 P HA 0.026 nan 4.420 nan 0.000 0.231 327 P C 0.742 178.030 177.300 -0.020 0.000 1.756 327 P CA 0.007 63.098 63.100 -0.016 0.000 0.990 327 P CB 0.076 31.745 31.700 -0.052 0.000 1.973 328 V N 1.169 121.080 119.914 -0.005 0.000 2.358 328 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 328 V C 2.297 178.382 176.094 -0.014 0.000 1.047 328 V CA 1.547 63.840 62.300 -0.012 0.000 1.035 328 V CB -0.654 31.168 31.823 -0.001 0.000 0.658 328 V HN 0.210 nan 8.190 nan 0.000 0.452 329 L N -0.107 121.128 121.223 0.021 0.000 2.056 329 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 329 L C -0.027 176.773 176.870 -0.116 0.000 1.078 329 L CA 2.174 57.025 54.840 0.019 0.000 0.749 329 L CB -2.126 40.031 42.059 0.163 0.000 0.901 329 L HN 0.274 nan 8.230 nan 0.000 0.433 330 P HA -0.184 nan 4.420 nan 0.000 0.216 330 P C 1.398 178.588 177.300 -0.183 0.000 1.150 330 P CA 1.342 64.321 63.100 -0.202 0.000 0.843 330 P CB 0.085 31.748 31.700 -0.063 0.000 0.787 331 E N -0.662 119.467 120.200 -0.119 0.000 2.106 331 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 331 E C 2.100 178.636 176.600 -0.107 0.000 0.984 331 E CA 1.132 57.471 56.400 -0.103 0.000 0.806 331 E CB -0.522 29.132 29.700 -0.076 0.000 0.750 331 E HN 0.151 nan 8.360 nan 0.000 0.458 332 A N 0.835 123.590 122.820 -0.109 0.000 1.902 332 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 332 A C 2.485 179.983 177.584 -0.145 0.000 1.181 332 A CA 1.173 53.148 52.037 -0.103 0.000 0.623 332 A CB -0.645 18.310 19.000 -0.076 0.000 0.818 332 A HN 0.117 nan 8.150 nan 0.000 0.443 333 V N 0.675 120.444 119.914 -0.242 0.000 2.295 333 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 333 V C 3.017 178.991 176.094 -0.201 0.000 1.049 333 V CA 2.522 64.644 62.300 -0.297 0.000 1.024 333 V CB -1.505 29.962 31.823 -0.593 0.000 0.648 333 V HN 0.844 nan 8.190 nan 0.000 0.447 334 T N -2.171 112.276 114.554 -0.179 0.000 2.904 334 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 334 T C 1.789 176.437 174.700 -0.086 0.000 1.059 334 T CA 1.357 63.385 62.100 -0.119 0.000 1.137 334 T CB -0.303 68.507 68.868 -0.098 0.000 0.879 334 T HN 0.521 nan 8.240 nan 0.000 0.467 335 Q N 0.512 120.262 119.800 -0.084 0.000 2.050 335 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 335 Q C 2.644 178.609 176.000 -0.059 0.000 0.980 335 Q CA 1.458 57.224 55.803 -0.062 0.000 0.840 335 Q CB -0.492 28.213 28.738 -0.055 0.000 0.898 335 Q HN 0.412 nan 8.270 nan 0.000 0.424 336 V N 1.143 121.016 119.914 -0.069 0.000 2.287 336 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 336 V C 2.312 178.368 176.094 -0.062 0.000 1.053 336 V CA 1.919 64.181 62.300 -0.062 0.000 1.027 336 V CB -1.009 30.774 31.823 -0.067 0.000 0.646 336 V HN 0.429 nan 8.190 nan 0.000 0.447 337 A N -0.132 122.645 122.820 -0.072 0.000 1.908 337 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 337 A C 2.434 179.988 177.584 -0.050 0.000 1.181 337 A CA 2.328 54.327 52.037 -0.063 0.000 0.627 337 A CB -0.838 18.122 19.000 -0.068 0.000 0.818 337 A HN 0.616 nan 8.150 nan 0.000 0.445 338 A N -1.135 121.658 122.820 -0.046 0.000 1.902 338 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 338 A C 2.156 179.720 177.584 -0.033 0.000 1.181 338 A CA 2.164 54.179 52.037 -0.036 0.000 0.623 338 A CB -0.508 18.472 19.000 -0.033 0.000 0.818 338 A HN 0.552 nan 8.150 nan 0.000 0.443 339 Q N -0.268 119.510 119.800 -0.036 0.000 2.119 339 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 339 Q C 1.865 177.843 176.000 -0.036 0.000 0.972 339 Q CA 1.920 57.704 55.803 -0.031 0.000 0.847 339 Q CB -0.493 28.227 28.738 -0.030 0.000 0.903 339 Q HN 0.345 nan 8.270 nan 0.000 0.433 340 V N 0.235 120.121 119.914 -0.047 0.000 2.343 340 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 340 V C 2.161 178.224 176.094 -0.051 0.000 1.051 340 V CA 1.719 63.983 62.300 -0.061 0.000 1.036 340 V CB -0.482 31.295 31.823 -0.077 0.000 0.654 340 V HN 0.374 nan 8.190 nan 0.000 0.451 341 I N 0.594 121.140 120.570 -0.040 0.000 2.179 341 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 341 I C 2.560 178.665 176.117 -0.019 0.000 1.088 341 I CA 1.799 63.082 61.300 -0.028 0.000 1.357 341 I CB -0.812 37.174 38.000 -0.023 0.000 1.051 341 I HN 0.381 nan 8.210 nan 0.000 0.409 342 G N 0.554 109.342 108.800 -0.020 0.000 2.433 342 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.216 342 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.216 342 G C 1.417 176.311 174.900 -0.011 0.000 1.186 342 G CA 0.902 45.992 45.100 -0.015 0.000 0.779 342 G HN 0.300 nan 8.290 nan 0.000 0.543 343 N N 0.866 119.557 118.700 -0.015 0.000 2.149 343 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 343 N C 1.773 177.280 175.510 -0.006 0.000 1.019 343 N CA 1.500 54.545 53.050 -0.009 0.000 0.857 343 N CB -0.452 38.021 38.487 -0.023 0.000 0.997 343 N HN 0.532 nan 8.380 nan 0.000 0.426 344 D N -0.015 120.375 120.400 -0.017 0.000 2.178 344 D HA 0.013 4.653 4.640 -0.000 0.000 0.202 344 D C 1.721 178.031 176.300 0.017 0.000 0.974 344 D CA 1.061 55.053 54.000 -0.013 0.000 0.841 344 D CB -0.006 40.777 40.800 -0.029 0.000 0.953 344 D HN 0.236 nan 8.370 nan 0.000 0.478 345 A N 0.390 123.225 122.820 0.024 0.000 1.930 345 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 345 A C 2.364 180.003 177.584 0.092 0.000 1.175 345 A CA 1.656 53.728 52.037 0.058 0.000 0.627 345 A CB -0.933 18.092 19.000 0.043 0.000 0.815 345 A HN 0.329 nan 8.150 nan 0.000 0.443 346 A N -0.157 122.695 122.820 0.054 0.000 1.930 346 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 346 A C 2.053 179.706 177.584 0.116 0.000 1.175 346 A CA 1.418 53.495 52.037 0.068 0.000 0.627 346 A CB -0.549 18.474 19.000 0.039 0.000 0.815 346 A HN 0.477 nan 8.150 nan 0.000 0.443 347 I N -0.302 120.315 120.570 0.079 0.000 2.315 347 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 347 I C 2.898 179.055 176.117 0.067 0.000 1.117 347 I CA 1.030 62.370 61.300 0.068 0.000 1.404 347 I CB -0.199 37.820 38.000 0.032 0.000 1.071 347 I HN 0.334 nan 8.210 nan 0.000 0.419 348 A N 0.422 123.285 122.820 0.072 0.000 1.898 348 A HA -0.235 4.084 4.320 -0.000 0.000 0.216 348 A C 2.254 179.862 177.584 0.040 0.000 1.181 348 A CA 1.025 53.088 52.037 0.044 0.000 0.620 348 A CB -1.055 17.970 19.000 0.043 0.000 0.819 348 A HN 0.681 nan 8.150 nan 0.000 0.442 349 W N 0.866 122.111 121.300 -0.091 0.000 2.335 349 W HA -0.183 4.477 4.660 -0.001 0.000 0.311 349 W C 2.072 178.414 176.519 -0.296 0.000 1.213 349 W CA 2.184 59.446 57.345 -0.138 0.000 1.274 349 W CB -0.758 28.649 29.460 -0.089 0.000 1.148 349 W HN 0.345 nan 8.180 nan 0.000 0.498 350 G N -0.002 108.798 108.800 -0.001 0.000 2.421 350 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.217 350 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.217 350 G C 1.723 176.437 174.900 -0.309 0.000 1.143 350 G CA 1.060 45.915 45.100 -0.407 0.000 0.784 350 G HN 0.423 nan 8.290 nan 0.000 0.541 351 G N 1.031 109.768 108.800 -0.106 0.000 2.422 351 G HA2 0.050 4.009 3.960 -0.000 0.000 0.218 351 G HA3 0.050 4.009 3.960 -0.000 0.000 0.218 351 G C 1.876 176.712 174.900 -0.106 0.000 1.146 351 G CA 1.371 46.439 45.100 -0.054 0.000 0.769 351 G HN 0.623 nan 8.290 nan 0.000 0.547 352 A N 0.189 122.894 122.820 -0.191 0.000 2.169 352 A HA 0.142 4.462 4.320 -0.000 0.000 0.212 352 A C 1.712 179.167 177.584 -0.215 0.000 1.153 352 A CA 0.683 52.598 52.037 -0.203 0.000 0.756 352 A CB 0.004 18.845 19.000 -0.264 0.000 0.813 352 A HN 0.307 nan 8.150 nan 0.000 0.471 353 N N 0.417 118.953 118.700 -0.274 0.000 2.275 353 N HA 0.133 4.873 4.740 -0.000 0.000 0.236 353 N C 0.673 176.231 175.510 0.080 0.000 1.154 353 N CA 0.414 53.358 53.050 -0.177 0.000 0.866 353 N CB 0.632 38.933 38.487 -0.310 0.000 1.093 353 N HN 0.371 nan 8.380 nan 0.000 0.515 354 G N 0.340 109.184 108.800 0.074 0.000 2.699 354 G HA2 0.453 4.413 3.960 -0.000 0.000 0.246 354 G HA3 0.453 4.413 3.960 -0.000 0.000 0.246 354 G C -0.532 174.418 174.900 0.084 0.000 1.219 354 G CA -0.186 45.002 45.100 0.146 0.000 0.866 354 G HN 0.200 nan 8.290 nan 0.000 0.572 355 A N 0.013 122.903 122.820 0.117 0.000 2.402 355 A HA 0.749 5.069 4.320 -0.000 0.000 0.291 355 A C -0.062 177.654 177.584 0.220 0.000 1.051 355 A CA -0.514 51.577 52.037 0.091 0.000 0.716 355 A CB 0.474 19.619 19.000 0.242 0.000 1.223 355 A HN 1.184 nan 8.150 nan 0.000 0.425 356 F N 0.151 120.130 119.950 0.049 0.000 2.192 356 F HA -0.346 4.180 4.527 -0.000 0.000 0.317 356 F C 1.917 177.760 175.800 0.071 0.000 1.454 356 F CA 1.923 59.952 58.000 0.048 0.000 0.932 356 F CB -0.548 38.476 39.000 0.040 0.000 4.108 356 F HN 0.627 nan 8.300 nan 0.000 0.138 357 E N 0.977 121.365 120.200 0.314 0.000 2.511 357 E HA 0.275 4.625 4.350 -0.000 0.000 0.196 357 E C -0.039 176.666 176.600 0.174 0.000 1.066 357 E CA 0.617 57.154 56.400 0.228 0.000 0.871 357 E CB 0.140 29.973 29.700 0.221 0.000 0.863 357 E HN 0.361 nan 8.360 nan 0.000 0.520 358 L N 1.480 122.805 121.223 0.169 0.000 2.505 358 L HA 0.336 4.676 4.340 -0.000 0.000 0.266 358 L C -1.338 175.618 176.870 0.144 0.000 0.954 358 L CA -0.561 54.361 54.840 0.137 0.000 0.852 358 L CB 2.091 44.218 42.059 0.114 0.000 1.282 358 L HN -0.198 nan 8.230 nan 0.000 0.403 359 N N 3.602 122.388 118.700 0.144 0.000 2.422 359 N HA 0.239 4.979 4.740 -0.000 0.000 0.264 359 N C 0.028 175.646 175.510 0.180 0.000 1.063 359 N CA -0.033 53.130 53.050 0.187 0.000 0.959 359 N CB 1.649 40.246 38.487 0.183 0.000 1.087 359 N HN 0.560 nan 8.380 nan 0.000 0.483 360 V N 2.540 122.558 119.914 0.174 0.000 2.993 360 V HA 0.330 4.450 4.120 -0.000 0.000 0.377 360 V C -0.491 175.500 176.094 -0.172 0.000 1.318 360 V CA -0.213 62.083 62.300 -0.006 0.000 1.312 360 V CB -1.335 30.436 31.823 -0.086 0.000 1.342 360 V HN 0.499 nan 8.190 nan 0.000 0.544 361 Y N -0.678 119.666 120.300 0.073 0.000 2.660 361 Y HA 0.508 5.058 4.550 -0.000 0.000 0.254 361 Y C 1.651 177.596 175.900 0.077 0.000 1.176 361 Y CA -0.583 57.567 58.100 0.083 0.000 1.195 361 Y CB 0.107 38.638 38.460 0.118 0.000 1.190 361 Y HN 0.259 nan 8.280 nan 0.000 0.535 362 I N 0.866 121.544 120.570 0.181 0.000 2.179 362 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 362 I C -0.617 175.637 176.117 0.228 0.000 1.088 362 I CA 1.006 62.441 61.300 0.224 0.000 1.357 362 I CB -1.318 36.864 38.000 0.304 0.000 1.051 362 I HN 0.101 nan 8.210 nan 0.000 0.409 363 P HA -0.205 nan 4.420 nan 0.000 0.215 363 P C 1.899 179.173 177.300 -0.044 0.000 1.153 363 P CA 1.411 64.538 63.100 0.044 0.000 0.853 363 P CB -0.153 31.408 31.700 -0.231 0.000 0.788 364 M N -1.117 118.442 119.600 -0.067 0.000 2.086 364 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 364 M C 1.942 178.264 176.300 0.036 0.000 1.067 364 M CA 2.043 57.306 55.300 -0.062 0.000 1.116 364 M CB -1.064 31.607 32.600 0.118 0.000 1.348 364 M HN -0.077 nan 8.290 nan 0.000 0.407 365 M N -0.094 119.570 119.600 0.106 0.000 2.108 365 M HA -0.172 4.307 4.480 -0.000 0.000 0.261 365 M C 2.313 178.644 176.300 0.052 0.000 1.066 365 M CA 1.915 57.270 55.300 0.092 0.000 1.107 365 M CB -0.829 31.843 32.600 0.119 0.000 1.356 365 M HN 0.420 nan 8.290 nan 0.000 0.406 366 A N 0.677 123.534 122.820 0.063 0.000 1.865 366 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 366 A C 2.199 179.787 177.584 0.006 0.000 1.191 366 A CA 2.115 54.167 52.037 0.025 0.000 0.623 366 A CB -0.916 18.108 19.000 0.039 0.000 0.826 366 A HN 0.509 nan 8.150 nan 0.000 0.444 367 R N -0.220 120.274 120.500 -0.011 0.000 2.096 367 R HA -0.198 4.142 4.340 -0.000 0.000 0.240 367 R C 1.814 178.107 176.300 -0.012 0.000 1.139 367 R CA 2.012 58.091 56.100 -0.035 0.000 0.952 367 R CB -0.492 29.744 30.300 -0.106 0.000 0.854 367 R HN 0.613 nan 8.270 nan 0.000 0.436 368 N N 0.603 119.302 118.700 -0.001 0.000 2.142 368 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 368 N C 1.962 177.470 175.510 -0.004 0.000 1.023 368 N CA 1.381 54.434 53.050 0.004 0.000 0.852 368 N CB -0.152 38.345 38.487 0.016 0.000 0.998 368 N HN 0.315 nan 8.380 nan 0.000 0.424 369 I N 1.262 121.838 120.570 0.009 0.000 2.353 369 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 369 I C 2.028 178.212 176.117 0.112 0.000 1.119 369 I CA 0.672 61.980 61.300 0.013 0.000 1.417 369 I CB 0.101 38.126 38.000 0.042 0.000 1.078 369 I HN 0.022 nan 8.210 nan 0.000 0.421 370 L N 0.323 121.617 121.223 0.118 0.000 2.056 370 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 370 L C 2.503 179.437 176.870 0.107 0.000 1.078 370 L CA 1.655 56.584 54.840 0.149 0.000 0.749 370 L CB -0.743 41.340 42.059 0.041 0.000 0.901 370 L HN 0.353 nan 8.230 nan 0.000 0.433 371 E N 0.100 120.325 120.200 0.042 0.000 2.077 371 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 371 E C 2.227 178.832 176.600 0.008 0.000 0.989 371 E CA 1.547 57.958 56.400 0.018 0.000 0.800 371 E CB 0.102 29.803 29.700 0.001 0.000 0.746 371 E HN 0.334 nan 8.360 nan 0.000 0.452 372 S N 0.024 115.706 115.700 -0.030 0.000 2.359 372 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 372 S C 1.543 176.070 174.600 -0.123 0.000 1.035 372 S CA 1.337 59.472 58.200 -0.107 0.000 1.018 372 S CB -0.452 62.632 63.200 -0.194 0.000 0.876 372 S HN 0.280 nan 8.310 nan 0.000 0.448 373 F N 1.844 121.779 119.950 -0.024 0.000 2.046 373 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 373 F C 2.408 178.195 175.800 -0.022 0.000 1.123 373 F CA 1.524 59.513 58.000 -0.018 0.000 1.199 373 F CB -0.573 38.413 39.000 -0.022 0.000 0.972 373 F HN 0.111 nan 8.300 nan 0.000 0.474 374 K N 0.678 121.171 120.400 0.155 0.000 2.020 374 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 374 K C 2.104 178.724 176.600 0.034 0.000 1.050 374 K CA 1.823 58.143 56.287 0.055 0.000 0.929 374 K CB -0.563 31.945 32.500 0.013 0.000 0.714 374 K HN 0.267 nan 8.250 nan 0.000 0.443 375 L N 0.927 122.160 121.223 0.017 0.000 2.042 375 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 375 L C 2.569 179.441 176.870 0.004 0.000 1.076 375 L CA 1.091 55.930 54.840 -0.001 0.000 0.749 375 L CB -0.444 41.603 42.059 -0.018 0.000 0.893 375 L HN 0.265 nan 8.230 nan 0.000 0.432 376 L N -0.903 120.323 121.223 0.006 0.000 2.093 376 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 376 L C 2.651 179.555 176.870 0.055 0.000 1.085 376 L CA 1.283 56.132 54.840 0.014 0.000 0.755 376 L CB -0.717 41.336 42.059 -0.010 0.000 0.904 376 L HN 0.282 nan 8.230 nan 0.000 0.435 377 T N -0.320 114.284 114.554 0.083 0.000 2.643 377 T HA -0.152 4.198 4.350 -0.000 0.000 0.264 377 T C 1.702 176.446 174.700 0.074 0.000 1.045 377 T CA 1.599 63.759 62.100 0.099 0.000 1.155 377 T CB -0.231 68.706 68.868 0.114 0.000 0.863 377 T HN 0.297 nan 8.240 nan 0.000 0.420 378 N N 0.744 119.473 118.700 0.050 0.000 2.084 378 N HA -0.045 4.695 4.740 -0.000 0.000 0.190 378 N C 1.930 177.469 175.510 0.047 0.000 1.030 378 N CA 0.638 53.713 53.050 0.040 0.000 0.849 378 N CB -0.902 37.597 38.487 0.020 0.000 1.012 378 N HN 0.131 nan 8.380 nan 0.000 0.423 379 V N 0.727 120.662 119.914 0.035 0.000 2.626 379 V HA -0.116 4.003 4.120 -0.000 0.000 0.252 379 V C 2.050 178.197 176.094 0.088 0.000 1.067 379 V CA 1.324 63.643 62.300 0.032 0.000 1.081 379 V CB -0.387 31.422 31.823 -0.024 0.000 0.686 379 V HN 0.228 nan 8.190 nan 0.000 0.468 380 S N -0.312 115.448 115.700 0.099 0.000 2.368 380 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 380 S C 1.971 176.663 174.600 0.154 0.000 1.029 380 S CA 1.488 59.780 58.200 0.153 0.000 0.988 380 S CB -0.207 63.066 63.200 0.122 0.000 0.838 380 S HN 0.608 nan 8.310 nan 0.000 0.462 381 R N 0.424 120.990 120.500 0.110 0.000 2.073 381 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 381 R C 2.138 178.496 176.300 0.097 0.000 1.134 381 R CA 1.014 57.168 56.100 0.090 0.000 0.952 381 R CB -0.638 29.704 30.300 0.071 0.000 0.850 381 R HN 0.226 nan 8.270 nan 0.000 0.433 382 L N 0.180 121.466 121.223 0.106 0.000 2.013 382 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 382 L C 2.208 179.190 176.870 0.186 0.000 1.073 382 L CA 1.643 56.551 54.840 0.114 0.000 0.753 382 L CB -0.773 41.342 42.059 0.093 0.000 0.890 382 L HN 0.076 nan 8.230 nan 0.000 0.432 383 F N 0.137 120.097 119.950 0.017 0.000 2.095 383 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 383 F C 2.370 178.187 175.800 0.028 0.000 1.104 383 F CA 1.227 59.239 58.000 0.019 0.000 1.232 383 F CB -0.933 38.075 39.000 0.014 0.000 0.987 383 F HN 0.111 nan 8.300 nan 0.000 0.475 384 A N -0.305 122.535 122.820 0.033 0.000 1.877 384 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 384 A C 2.132 179.681 177.584 -0.058 0.000 1.186 384 A CA 1.991 53.983 52.037 -0.075 0.000 0.620 384 A CB -0.754 18.244 19.000 -0.004 0.000 0.822 384 A HN 0.595 nan 8.150 nan 0.000 0.443 385 Q N -1.421 118.379 119.800 -0.000 0.000 2.204 385 Q HA 0.079 4.419 4.340 -0.000 0.000 0.198 385 Q C 1.684 177.687 176.000 0.005 0.000 0.946 385 Q CA 0.815 56.618 55.803 -0.000 0.000 0.859 385 Q CB 0.116 28.865 28.738 0.018 0.000 0.946 385 Q HN 0.557 nan 8.270 nan 0.000 0.474 386 R N -1.264 119.254 120.500 0.031 0.000 2.432 386 R HA 0.222 4.562 4.340 -0.000 0.000 0.260 386 R C 0.918 177.251 176.300 0.055 0.000 0.935 386 R CA -0.044 56.082 56.100 0.042 0.000 1.080 386 R CB 0.629 30.962 30.300 0.056 0.000 1.155 386 R HN 0.198 nan 8.270 nan 0.000 0.531 387 C N -0.946 118.373 119.300 0.031 0.000 3.024 387 C HA 0.235 4.694 4.460 -0.000 0.000 0.344 387 C C 2.002 176.959 174.990 -0.056 0.000 2.031 387 C CA -0.214 58.825 59.018 0.036 0.000 1.998 387 C CB -0.236 27.605 27.740 0.168 0.000 1.929 387 C HN 0.192 nan 8.230 nan 0.000 0.660 388 I N 2.813 123.259 120.570 -0.206 0.000 2.142 388 I HA -0.071 4.098 4.170 -0.000 0.000 0.240 388 I C 2.920 178.956 176.117 -0.135 0.000 1.078 388 I CA 2.236 63.419 61.300 -0.195 0.000 1.343 388 I CB -1.826 35.999 38.000 -0.291 0.000 1.046 388 I HN 0.507 nan 8.210 nan 0.000 0.405 389 A N 0.756 123.502 122.820 -0.123 0.000 1.948 389 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 389 A C 2.258 179.787 177.584 -0.091 0.000 1.177 389 A CA 2.065 54.034 52.037 -0.113 0.000 0.636 389 A CB -1.279 17.675 19.000 -0.076 0.000 0.815 389 A HN 0.493 nan 8.150 nan 0.000 0.449 390 G N -1.169 107.605 108.800 -0.044 0.000 3.284 390 G HA2 0.424 4.383 3.960 -0.000 0.000 0.236 390 G HA3 0.424 4.383 3.960 -0.000 0.000 0.236 390 G C 0.333 175.254 174.900 0.034 0.000 1.158 390 G CA -0.459 44.637 45.100 -0.007 0.000 0.774 390 G HN 0.371 nan 8.290 nan 0.000 0.545 391 L N 1.902 123.152 121.223 0.045 0.000 2.426 391 L HA 0.369 4.708 4.340 -0.000 0.000 0.271 391 L C 0.730 177.762 176.870 0.270 0.000 1.169 391 L CA -0.136 54.806 54.840 0.170 0.000 0.836 391 L CB 1.039 43.258 42.059 0.266 0.000 1.112 391 L HN 0.127 nan 8.230 nan 0.000 0.465 392 T N -0.228 114.485 114.554 0.265 0.000 2.863 392 T HA 0.745 5.095 4.350 -0.000 0.000 0.285 392 T C -0.414 174.356 174.700 0.117 0.000 1.009 392 T CA -0.872 61.388 62.100 0.267 0.000 0.989 392 T CB 1.934 70.883 68.868 0.134 0.000 1.004 392 T HN 0.658 nan 8.240 nan 0.000 0.455 393 A N 2.914 125.704 122.820 -0.051 0.000 2.301 393 A HA 0.589 4.908 4.320 -0.000 0.000 0.312 393 A C 0.337 177.802 177.584 -0.199 0.000 1.182 393 A CA -0.945 50.838 52.037 -0.424 0.000 0.826 393 A CB 0.163 18.488 19.000 -1.124 0.000 1.134 393 A HN 0.809 nan 8.150 nan 0.000 0.501 394 N N 2.933 121.550 118.700 -0.139 0.000 3.050 394 N HA 0.116 4.855 4.740 -0.000 0.000 0.289 394 N C 1.352 176.833 175.510 -0.048 0.000 1.209 394 N CA -0.034 52.987 53.050 -0.047 0.000 1.154 394 N CB 0.770 39.268 38.487 0.019 0.000 1.444 394 N HN 0.411 nan 8.380 nan 0.000 0.529 395 V N 1.159 121.021 119.914 -0.086 0.000 2.252 395 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 395 V C 2.052 178.118 176.094 -0.046 0.000 1.056 395 V CA 1.703 63.946 62.300 -0.094 0.000 1.022 395 V CB -0.235 31.541 31.823 -0.079 0.000 0.641 395 V HN 0.537 nan 8.190 nan 0.000 0.445 396 E N -0.597 119.597 120.200 -0.009 0.000 2.038 396 E HA -0.299 4.051 4.350 -0.000 0.000 0.195 396 E C 2.209 178.826 176.600 0.028 0.000 1.000 396 E CA 1.787 58.192 56.400 0.008 0.000 0.803 396 E CB -0.321 29.392 29.700 0.021 0.000 0.750 396 E HN 0.758 nan 8.360 nan 0.000 0.448 397 H N 1.062 120.106 119.070 -0.042 0.000 2.290 397 H HA -0.112 4.444 4.556 -0.000 0.000 0.298 397 H C 2.068 177.372 175.328 -0.040 0.000 1.087 397 H CA 1.717 57.744 56.048 -0.035 0.000 1.291 397 H CB -0.383 29.360 29.762 -0.032 0.000 1.369 397 H HN 0.036 nan 8.280 nan 0.000 0.492 398 L N -0.241 120.893 121.223 -0.147 0.000 2.012 398 L HA -0.204 4.135 4.340 -0.000 0.000 0.210 398 L C 2.877 179.646 176.870 -0.169 0.000 1.073 398 L CA 1.914 56.634 54.840 -0.200 0.000 0.748 398 L CB -0.461 41.518 42.059 -0.133 0.000 0.891 398 L HN 0.289 nan 8.230 nan 0.000 0.431 399 R N 0.281 120.712 120.500 -0.115 0.000 2.092 399 R HA -0.178 4.162 4.340 -0.000 0.000 0.231 399 R C 2.476 178.724 176.300 -0.086 0.000 1.119 399 R CA 1.301 57.348 56.100 -0.088 0.000 0.970 399 R CB -0.140 30.122 30.300 -0.063 0.000 0.864 399 R HN 0.174 nan 8.270 nan 0.000 0.440 400 R N 0.286 120.732 120.500 -0.090 0.000 2.096 400 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 400 R C 2.171 178.410 176.300 -0.101 0.000 1.127 400 R CA 1.312 57.368 56.100 -0.074 0.000 0.968 400 R CB -0.174 30.101 30.300 -0.041 0.000 0.861 400 R HN 0.292 nan 8.270 nan 0.000 0.440 401 L N -0.112 121.005 121.223 -0.177 0.000 2.093 401 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 401 L C 2.593 179.400 176.870 -0.106 0.000 1.085 401 L CA 1.192 55.934 54.840 -0.164 0.000 0.755 401 L CB -0.525 41.381 42.059 -0.256 0.000 0.904 401 L HN 0.333 nan 8.230 nan 0.000 0.435 402 A N -0.104 122.655 122.820 -0.102 0.000 1.933 402 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 402 A C 2.011 179.562 177.584 -0.055 0.000 1.175 402 A CA 1.484 53.478 52.037 -0.072 0.000 0.628 402 A CB -0.369 18.589 19.000 -0.070 0.000 0.814 402 A HN 0.452 nan 8.150 nan 0.000 0.444 403 E N -0.158 120.009 120.200 -0.055 0.000 2.482 403 E HA 0.033 4.382 4.350 -0.000 0.000 0.196 403 E C 0.852 177.430 176.600 -0.035 0.000 1.047 403 E CA 0.572 56.947 56.400 -0.041 0.000 0.869 403 E CB 0.092 29.770 29.700 -0.038 0.000 0.836 403 E HN 0.498 nan 8.360 nan 0.000 0.520 404 S N -0.120 115.556 115.700 -0.039 0.000 2.578 404 S HA 0.088 4.558 4.470 -0.000 0.000 0.231 404 S C 0.248 174.832 174.600 -0.027 0.000 0.994 404 S CA -0.296 57.886 58.200 -0.030 0.000 0.956 404 S CB 0.845 64.027 63.200 -0.030 0.000 0.870 404 S HN -0.021 nan 8.310 nan 0.000 0.494 405 S N 2.314 117.996 115.700 -0.030 0.000 2.525 405 S HA 0.345 4.815 4.470 -0.000 0.000 0.278 405 S C -1.965 172.623 174.600 -0.019 0.000 1.234 405 S CA -1.759 56.426 58.200 -0.025 0.000 1.058 405 S CB 0.994 64.177 63.200 -0.030 0.000 0.983 405 S HN -0.033 nan 8.310 nan 0.000 0.495 406 P HA -0.035 nan 4.420 nan 0.000 0.219 406 P C 1.278 178.573 177.300 -0.008 0.000 1.146 406 P CA 0.847 63.942 63.100 -0.009 0.000 0.808 406 P CB 0.083 31.781 31.700 -0.004 0.000 0.779 407 S N -0.067 115.627 115.700 -0.009 0.000 2.420 407 S HA -0.156 4.314 4.470 -0.000 0.000 0.237 407 S C 1.648 176.240 174.600 -0.013 0.000 1.023 407 S CA 1.288 59.483 58.200 -0.008 0.000 0.991 407 S CB -1.041 62.153 63.200 -0.009 0.000 0.792 407 S HN 0.383 nan 8.310 nan 0.000 0.488 408 I N -0.570 119.988 120.570 -0.019 0.000 3.875 408 I HA 0.197 4.366 4.170 -0.000 0.000 0.329 408 I C 1.534 177.635 176.117 -0.027 0.000 1.295 408 I CA 0.000 61.286 61.300 -0.024 0.000 1.129 408 I CB 0.020 38.004 38.000 -0.027 0.000 1.008 408 I HN 0.128 nan 8.210 nan 0.000 0.413 409 V N -1.179 118.720 119.914 -0.025 0.000 3.129 409 V HA -0.085 4.035 4.120 -0.000 0.000 0.259 409 V C 2.469 178.533 176.094 -0.050 0.000 1.116 409 V CA 1.689 63.970 62.300 -0.033 0.000 1.127 409 V CB -1.430 30.379 31.823 -0.024 0.000 0.742 409 V HN 0.635 nan 8.190 nan 0.000 0.474 410 T N -1.010 113.515 114.554 -0.049 0.000 2.915 410 T HA 0.058 4.408 4.350 -0.000 0.000 0.269 410 T C -0.023 174.622 174.700 -0.091 0.000 1.071 410 T CA 1.259 63.312 62.100 -0.078 0.000 1.132 410 T CB -1.418 67.420 68.868 -0.050 0.000 0.878 410 T HN 0.513 nan 8.240 nan 0.000 0.479 411 P HA 0.166 nan 4.420 nan 0.000 0.236 411 P C 1.039 178.295 177.300 -0.072 0.000 1.172 411 P CA 0.569 63.632 63.100 -0.062 0.000 0.759 411 P CB -0.261 31.413 31.700 -0.044 0.000 0.843 412 L N -1.604 119.568 121.223 -0.084 0.000 2.477 412 L HA 0.082 4.422 4.340 -0.000 0.000 0.220 412 L C 1.710 178.507 176.870 -0.121 0.000 1.106 412 L CA 0.225 55.016 54.840 -0.083 0.000 0.851 412 L CB -0.580 41.440 42.059 -0.064 0.000 0.994 412 L HN -0.102 nan 8.230 nan 0.000 0.462 413 N N 0.360 118.946 118.700 -0.191 0.000 2.334 413 N HA -0.169 4.570 4.740 -0.000 0.000 0.187 413 N C 1.759 177.130 175.510 -0.233 0.000 1.016 413 N CA 1.715 54.574 53.050 -0.320 0.000 0.879 413 N CB -0.169 37.963 38.487 -0.591 0.000 0.965 413 N HN 0.366 nan 8.380 nan 0.000 0.438 414 S N -1.952 113.659 115.700 -0.148 0.000 2.556 414 S HA 0.487 4.956 4.470 -0.000 0.000 0.216 414 S C 1.406 175.970 174.600 -0.060 0.000 0.970 414 S CA 0.126 58.270 58.200 -0.092 0.000 0.912 414 S CB 0.688 63.845 63.200 -0.071 0.000 0.790 414 S HN 0.330 nan 8.310 nan 0.000 0.504 415 A N 2.423 125.206 122.820 -0.061 0.000 2.042 415 A HA 0.553 4.873 4.320 -0.000 0.000 0.207 415 A C 0.873 178.436 177.584 -0.035 0.000 1.598 415 A CA -0.031 51.982 52.037 -0.040 0.000 0.818 415 A CB -0.549 18.430 19.000 -0.035 0.000 1.169 415 A HN 0.611 nan 8.150 nan 0.000 0.548 416 I N -0.995 119.551 120.570 -0.040 0.000 2.882 416 I HA 0.600 4.770 4.170 -0.000 0.000 0.286 416 I C 0.668 176.753 176.117 -0.052 0.000 1.139 416 I CA -0.403 60.877 61.300 -0.034 0.000 1.379 416 I CB 0.560 38.542 38.000 -0.030 0.000 1.410 416 I HN 0.198 nan 8.210 nan 0.000 0.594 417 G N 2.598 111.384 108.800 -0.025 0.000 2.525 417 G HA2 0.240 4.200 3.960 -0.000 0.000 0.287 417 G HA3 0.240 4.200 3.960 -0.000 0.000 0.287 417 G C 0.098 174.981 174.900 -0.029 0.000 1.350 417 G CA -0.490 44.596 45.100 -0.023 0.000 1.039 417 G HN 0.791 nan 8.290 nan 0.000 0.513 418 Y N -0.366 119.931 120.300 -0.004 0.000 2.081 418 Y HA -0.193 4.357 4.550 -0.000 0.000 0.280 418 Y C 3.001 178.898 175.900 -0.005 0.000 1.163 418 Y CA 2.296 60.393 58.100 -0.005 0.000 1.135 418 Y CB -0.143 38.314 38.460 -0.005 0.000 0.970 418 Y HN 0.584 nan 8.280 nan 0.000 0.498 419 E N -0.021 120.282 120.200 0.171 0.000 2.058 419 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 419 E C 2.008 178.639 176.600 0.052 0.000 0.997 419 E CA 1.663 58.116 56.400 0.088 0.000 0.801 419 E CB -0.234 29.503 29.700 0.063 0.000 0.746 419 E HN 0.620 nan 8.360 nan 0.000 0.450 420 E N 0.761 120.984 120.200 0.038 0.000 2.077 420 E HA -0.155 4.194 4.350 -0.000 0.000 0.193 420 E C 2.041 178.645 176.600 0.008 0.000 0.989 420 E CA 0.937 57.346 56.400 0.016 0.000 0.800 420 E CB -0.146 29.558 29.700 0.006 0.000 0.746 420 E HN 0.225 nan 8.360 nan 0.000 0.452 421 A N 1.220 124.041 122.820 0.001 0.000 2.070 421 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 421 A C 2.281 179.869 177.584 0.007 0.000 1.159 421 A CA 1.484 53.514 52.037 -0.012 0.000 0.656 421 A CB -0.414 18.557 19.000 -0.047 0.000 0.800 421 A HN 0.286 nan 8.150 nan 0.000 0.453 422 A N -0.618 122.219 122.820 0.028 0.000 1.975 422 A HA 0.412 4.732 4.320 -0.000 0.000 0.215 422 A C 2.359 179.953 177.584 0.018 0.000 1.170 422 A CA 1.330 53.385 52.037 0.030 0.000 0.656 422 A CB -0.634 18.394 19.000 0.046 0.000 0.821 422 A HN 0.859 nan 8.150 nan 0.000 0.449 423 A N -0.457 122.372 122.820 0.015 0.000 1.929 423 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 423 A C 2.142 179.729 177.584 0.004 0.000 1.176 423 A CA 1.467 53.510 52.037 0.009 0.000 0.628 423 A CB -0.762 18.244 19.000 0.009 0.000 0.816 423 A HN 0.291 nan 8.150 nan 0.000 0.444 424 V N 0.004 119.919 119.914 0.002 0.000 2.287 424 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 424 V C 3.064 179.157 176.094 -0.003 0.000 1.053 424 V CA 2.061 64.360 62.300 -0.003 0.000 1.027 424 V CB -1.112 30.706 31.823 -0.008 0.000 0.646 424 V HN 0.610 nan 8.190 nan 0.000 0.447 425 A N -0.634 122.185 122.820 -0.001 0.000 1.902 425 A HA -0.222 4.097 4.320 -0.000 0.000 0.217 425 A C 2.299 179.883 177.584 0.000 0.000 1.181 425 A CA 1.887 53.923 52.037 -0.001 0.000 0.623 425 A CB -0.402 18.599 19.000 0.002 0.000 0.818 425 A HN 0.537 nan 8.150 nan 0.000 0.443 426 K N -0.850 119.551 120.400 0.003 0.000 2.057 426 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 426 K C 2.378 178.979 176.600 0.002 0.000 1.050 426 K CA 1.497 57.786 56.287 0.003 0.000 0.935 426 K CB -0.141 32.362 32.500 0.004 0.000 0.715 426 K HN 0.681 nan 8.250 nan 0.000 0.439 427 Q N 0.591 120.391 119.800 0.001 0.000 2.167 427 Q HA -0.108 4.231 4.340 -0.000 0.000 0.202 427 Q C 1.948 177.948 176.000 -0.001 0.000 0.970 427 Q CA 1.154 56.957 55.803 0.000 0.000 0.855 427 Q CB -0.023 28.715 28.738 0.000 0.000 0.911 427 Q HN 0.299 nan 8.270 nan 0.000 0.438 428 A N 0.970 123.789 122.820 -0.002 0.000 1.883 428 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 428 A C 2.027 179.609 177.584 -0.002 0.000 1.186 428 A CA 1.284 53.319 52.037 -0.004 0.000 0.624 428 A CB -0.737 18.259 19.000 -0.007 0.000 0.822 428 A HN 0.456 nan 8.150 nan 0.000 0.444 429 L N -0.881 120.341 121.223 -0.002 0.000 2.027 429 L HA -0.202 4.137 4.340 -0.000 0.000 0.206 429 L C 2.645 179.516 176.870 0.002 0.000 1.074 429 L CA 1.829 56.669 54.840 0.000 0.000 0.745 429 L CB -0.529 41.530 42.059 0.000 0.000 0.898 429 L HN 0.377 nan 8.230 nan 0.000 0.433 430 K N 0.201 120.603 120.400 0.002 0.000 2.063 430 K HA -0.203 4.116 4.320 -0.000 0.000 0.208 430 K C 1.515 178.117 176.600 0.003 0.000 1.048 430 K CA 1.653 57.942 56.287 0.003 0.000 0.928 430 K CB -0.069 32.432 32.500 0.002 0.000 0.713 430 K HN 0.388 nan 8.250 nan 0.000 0.442 431 E N -0.024 120.177 120.200 0.003 0.000 2.476 431 E HA 0.119 4.469 4.350 -0.000 0.000 0.196 431 E C -0.605 175.997 176.600 0.003 0.000 1.029 431 E CA -0.210 56.192 56.400 0.003 0.000 0.896 431 E CB 0.460 30.161 29.700 0.002 0.000 1.012 431 E HN 0.131 nan 8.360 nan 0.000 0.475 432 R N 1.178 121.680 120.500 0.004 0.000 3.502 432 R HA -0.209 4.130 4.340 -0.000 0.000 0.266 432 R C -0.357 175.945 176.300 0.003 0.000 1.077 432 R CA 0.738 56.841 56.100 0.005 0.000 0.718 432 R CB -1.704 28.601 30.300 0.009 0.000 1.120 432 R HN 0.141 nan 8.270 nan 0.000 0.457 433 K N 0.430 120.829 120.400 -0.001 0.000 2.177 433 K HA 0.279 4.599 4.320 -0.000 0.000 0.238 433 K C 0.986 177.582 176.600 -0.007 0.000 1.015 433 K CA -0.144 56.141 56.287 -0.003 0.000 0.922 433 K CB 0.794 33.293 32.500 -0.003 0.000 1.127 433 K HN 0.143 nan 8.250 nan 0.000 0.469 434 T N -1.748 112.800 114.554 -0.009 0.000 2.868 434 T HA 0.122 4.471 4.350 -0.000 0.000 0.292 434 T C 1.606 176.298 174.700 -0.014 0.000 1.028 434 T CA -0.754 61.338 62.100 -0.014 0.000 1.059 434 T CB 0.389 69.247 68.868 -0.016 0.000 0.991 434 T HN 0.277 nan 8.240 nan 0.000 0.531 435 I N 0.637 121.197 120.570 -0.017 0.000 2.127 435 I HA -0.113 4.057 4.170 -0.000 0.000 0.241 435 I C 2.786 178.894 176.117 -0.015 0.000 1.075 435 I CA 1.280 62.570 61.300 -0.016 0.000 1.334 435 I CB -1.421 36.567 38.000 -0.020 0.000 1.040 435 I HN 0.821 nan 8.210 nan 0.000 0.405 436 R N 0.695 121.185 120.500 -0.017 0.000 2.133 436 R HA -0.284 4.055 4.340 -0.000 0.000 0.245 436 R C 2.256 178.548 176.300 -0.012 0.000 1.137 436 R CA 2.417 58.508 56.100 -0.015 0.000 0.947 436 R CB -0.430 29.861 30.300 -0.016 0.000 0.865 436 R HN 0.342 nan 8.270 nan 0.000 0.437 437 Q N -0.419 119.375 119.800 -0.011 0.000 2.224 437 Q HA -0.055 4.284 4.340 -0.000 0.000 0.203 437 Q C 1.521 177.517 176.000 -0.007 0.000 0.970 437 Q CA 2.062 57.860 55.803 -0.008 0.000 0.865 437 Q CB -0.062 28.672 28.738 -0.007 0.000 0.922 437 Q HN 0.323 nan 8.270 nan 0.000 0.445 438 T N -0.996 113.553 114.554 -0.008 0.000 3.054 438 T HA 0.057 4.407 4.350 -0.000 0.000 0.259 438 T C 1.603 176.298 174.700 -0.007 0.000 1.092 438 T CA 0.701 62.797 62.100 -0.007 0.000 1.121 438 T CB 0.096 68.960 68.868 -0.007 0.000 0.912 438 T HN 0.045 nan 8.240 nan 0.000 0.489 439 V N 1.589 121.497 119.914 -0.009 0.000 2.283 439 V HA -0.081 4.039 4.120 -0.000 0.000 0.243 439 V C 2.355 178.444 176.094 -0.008 0.000 1.039 439 V CA 1.329 63.623 62.300 -0.010 0.000 1.016 439 V CB -0.503 31.312 31.823 -0.013 0.000 0.650 439 V HN 0.458 nan 8.190 nan 0.000 0.449 440 I N 0.332 120.897 120.570 -0.008 0.000 2.151 440 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 440 I C 2.237 178.350 176.117 -0.005 0.000 1.080 440 I CA 1.863 63.159 61.300 -0.007 0.000 1.339 440 I CB -0.515 37.481 38.000 -0.007 0.000 1.039 440 I HN 0.332 nan 8.210 nan 0.000 0.409 441 D N 0.622 121.019 120.400 -0.005 0.000 2.263 441 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 441 D C 1.829 178.127 176.300 -0.003 0.000 0.971 441 D CA 0.999 54.997 54.000 -0.003 0.000 0.867 441 D CB -0.128 40.670 40.800 -0.003 0.000 0.929 441 D HN 0.381 nan 8.370 nan 0.000 0.492 442 R N -0.474 120.024 120.500 -0.003 0.000 2.388 442 R HA 0.272 4.612 4.340 -0.000 0.000 0.247 442 R C 1.085 177.383 176.300 -0.003 0.000 0.931 442 R CA 0.314 56.413 56.100 -0.003 0.000 1.082 442 R CB 0.421 30.720 30.300 -0.003 0.000 1.135 442 R HN -0.019 nan 8.270 nan 0.000 0.525 443 G N 1.448 110.246 108.800 -0.003 0.000 2.249 443 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.273 443 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.273 443 G C 0.645 175.542 174.900 -0.004 0.000 1.036 443 G CA -0.189 44.909 45.100 -0.004 0.000 0.824 443 G HN 0.213 nan 8.290 nan 0.000 0.504 444 L N -0.447 120.773 121.223 -0.006 0.000 2.395 444 L HA 0.285 4.625 4.340 -0.000 0.000 0.218 444 L C 2.050 178.915 176.870 -0.008 0.000 1.130 444 L CA 0.792 55.628 54.840 -0.007 0.000 0.826 444 L CB -0.611 41.442 42.059 -0.009 0.000 0.941 444 L HN 0.436 nan 8.230 nan 0.000 0.451 445 I N -0.149 120.417 120.570 -0.007 0.000 2.575 445 I HA 0.366 4.536 4.170 -0.000 0.000 0.285 445 I C 0.698 176.811 176.117 -0.006 0.000 1.085 445 I CA 0.268 61.563 61.300 -0.007 0.000 1.403 445 I CB 0.710 38.706 38.000 -0.007 0.000 1.409 445 I HN 0.295 nan 8.210 nan 0.000 0.557 446 G N 4.528 113.324 108.800 -0.006 0.000 2.911 446 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.686 446 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.686 446 G C -0.851 174.046 174.900 -0.005 0.000 1.136 446 G CA -0.786 44.311 45.100 -0.005 0.000 0.764 446 G HN 0.758 nan 8.290 nan 0.000 0.626 450 S N 2.302 117.996 115.700 -0.010 0.000 2.603 450 S HA 0.410 4.880 4.470 -0.000 0.000 0.268 450 S C 1.427 176.022 174.600 -0.009 0.000 1.317 450 S CA -0.891 57.304 58.200 -0.009 0.000 1.012 450 S CB 1.480 64.675 63.200 -0.008 0.000 0.926 450 S HN 0.539 nan 8.310 nan 0.000 0.539 451 I N 0.450 121.014 120.570 -0.008 0.000 3.010 451 I HA -0.119 4.051 4.170 -0.000 0.000 0.271 451 I C 1.733 177.845 176.117 -0.010 0.000 1.293 451 I CA 0.892 62.187 61.300 -0.009 0.000 1.452 451 I CB -0.656 37.339 38.000 -0.008 0.000 1.082 451 I HN 0.616 nan 8.210 nan 0.000 0.484 452 E N 0.636 120.830 120.200 -0.009 0.000 2.102 452 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 452 E C 1.672 178.266 176.600 -0.011 0.000 0.971 452 E CA 0.725 57.120 56.400 -0.009 0.000 0.821 452 E CB -0.276 29.419 29.700 -0.008 0.000 0.777 452 E HN 0.343 nan 8.360 nan 0.000 0.460 453 D N 1.108 121.501 120.400 -0.012 0.000 2.149 453 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 453 D C 1.863 178.153 176.300 -0.016 0.000 0.990 453 D CA 0.426 54.417 54.000 -0.014 0.000 0.839 453 D CB 0.009 40.800 40.800 -0.014 0.000 0.948 453 D HN 0.062 nan 8.370 nan 0.000 0.460 454 L N 0.678 121.892 121.223 -0.016 0.000 2.027 454 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 454 L C 0.903 177.762 176.870 -0.018 0.000 1.074 454 L CA 1.845 56.674 54.840 -0.018 0.000 0.745 454 L CB -0.870 41.180 42.059 -0.016 0.000 0.898 454 L HN -0.065 nan 8.230 nan 0.000 0.433 455 D N -0.633 119.758 120.400 -0.015 0.000 2.363 455 D HA -0.084 4.555 4.640 -0.000 0.000 0.226 455 D C 2.112 178.403 176.300 -0.016 0.000 1.020 455 D CA 0.332 54.323 54.000 -0.015 0.000 0.892 455 D CB 0.239 41.031 40.800 -0.013 0.000 0.900 455 D HN 0.381 nan 8.370 nan 0.000 0.531 456 R N 0.324 120.814 120.500 -0.016 0.000 2.105 456 R HA 0.129 4.469 4.340 -0.000 0.000 0.214 456 R C 1.909 178.197 176.300 -0.020 0.000 1.091 456 R CA 0.239 56.329 56.100 -0.016 0.000 1.007 456 R CB 0.355 30.646 30.300 -0.015 0.000 0.912 456 R HN -0.065 nan 8.270 nan 0.000 0.450 457 R N -0.161 120.325 120.500 -0.022 0.000 2.148 457 R HA 0.003 4.343 4.340 -0.000 0.000 0.223 457 R C 0.713 176.997 176.300 -0.027 0.000 1.088 457 R CA 0.598 56.683 56.100 -0.026 0.000 0.985 457 R CB 0.080 30.362 30.300 -0.030 0.000 0.880 457 R HN 0.107 nan 8.270 nan 0.000 0.451 458 L N 1.192 122.400 121.223 -0.025 0.000 2.848 458 L HA 0.121 4.461 4.340 -0.000 0.000 0.240 458 L C -0.213 176.642 176.870 -0.026 0.000 1.232 458 L CA 0.124 54.948 54.840 -0.026 0.000 1.031 458 L CB 0.095 42.139 42.059 -0.025 0.000 1.338 458 L HN -0.063 nan 8.230 nan 0.000 0.509 459 D N -0.080 120.305 120.400 -0.025 0.000 2.402 459 D HA 0.028 4.668 4.640 -0.000 0.000 0.235 459 D C 1.560 177.842 176.300 -0.030 0.000 1.226 459 D CA 0.070 54.055 54.000 -0.026 0.000 0.918 459 D CB 1.097 41.884 40.800 -0.023 0.000 1.043 459 D HN 0.146 nan 8.370 nan 0.000 0.506 460 V N 2.808 122.702 119.914 -0.033 0.000 2.427 460 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 460 V C 2.213 178.282 176.094 -0.043 0.000 1.051 460 V CA 0.754 63.031 62.300 -0.038 0.000 1.048 460 V CB -0.770 31.027 31.823 -0.042 0.000 0.666 460 V HN 0.419 nan 8.190 nan 0.000 0.456 461 L N 1.534 122.730 121.223 -0.045 0.000 2.141 461 L HA 0.136 4.476 4.340 -0.000 0.000 0.209 461 L C 2.563 179.403 176.870 -0.050 0.000 1.094 461 L CA 2.129 56.936 54.840 -0.055 0.000 0.763 461 L CB -1.044 40.981 42.059 -0.056 0.000 0.908 461 L HN 0.327 nan 8.230 nan 0.000 0.437 462 A N -1.043 121.755 122.820 -0.037 0.000 1.968 462 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 462 A C 2.233 179.800 177.584 -0.028 0.000 1.169 462 A CA 1.596 53.615 52.037 -0.029 0.000 0.638 462 A CB -0.469 18.518 19.000 -0.022 0.000 0.812 462 A HN 0.492 nan 8.150 nan 0.000 0.446 463 M N -0.415 119.168 119.600 -0.029 0.000 2.213 463 M HA -0.126 4.353 4.480 -0.000 0.000 0.263 463 M C 2.253 178.536 176.300 -0.028 0.000 1.062 463 M CA 1.298 56.582 55.300 -0.026 0.000 1.105 463 M CB -0.314 32.270 32.600 -0.027 0.000 1.385 463 M HN 0.450 nan 8.290 nan 0.000 0.417 464 A N 0.023 122.822 122.820 -0.036 0.000 2.209 464 A HA -0.064 4.256 4.320 -0.000 0.000 0.212 464 A C 0.963 178.526 177.584 -0.035 0.000 1.158 464 A CA 0.522 52.535 52.037 -0.039 0.000 0.742 464 A CB -0.536 18.430 19.000 -0.056 0.000 0.790 464 A HN 0.523 nan 8.150 nan 0.000 0.472 465 K N -1.317 119.065 120.400 -0.030 0.000 3.003 465 K HA -0.234 4.086 4.320 -0.000 0.000 0.257 465 K C 0.569 177.158 176.600 -0.018 0.000 0.958 465 K CA 0.136 56.412 56.287 -0.018 0.000 0.707 465 K CB -2.193 30.302 32.500 -0.007 0.000 1.279 465 K HN 0.745 nan 8.250 nan 0.000 0.479 466 A N 0.000 122.788 122.820 -0.054 0.000 2.254 466 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 466 A CA 0.000 51.984 52.037 -0.088 0.000 0.836 466 A CB 0.000 18.813 19.000 -0.312 0.000 0.831 466 A HN 0.000 nan 8.150 nan 0.000 0.486