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_D 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 0.000 177.477 177.584 -0.178 0.000 1.274 8 A CA 0.000 51.974 52.037 -0.105 0.000 0.836 8 A CB 0.000 18.949 19.000 -0.085 0.000 0.831 9 N N 1.179 119.758 118.700 -0.201 0.000 2.092 9 N HA 0.084 4.824 4.740 0.000 0.000 0.189 9 N C -0.240 174.826 175.510 -0.739 0.000 1.040 9 N CA 1.809 54.608 53.050 -0.418 0.000 0.845 9 N CB -0.119 38.223 38.487 -0.242 0.000 1.017 9 N HN 0.663 nan 8.380 nan 0.000 0.426 10 Y N -0.606 119.675 120.300 -0.030 0.000 2.482 10 Y HA 0.334 4.884 4.550 0.000 0.000 0.334 10 Y C -0.283 175.591 175.900 -0.043 0.000 1.091 10 Y CA -1.103 56.974 58.100 -0.038 0.000 1.027 10 Y CB 1.226 39.674 38.460 -0.019 0.000 1.306 10 Y HN 0.004 nan 8.280 nan 0.000 0.446 11 R N 2.728 123.285 120.500 0.096 0.000 2.573 11 R HA 0.741 5.081 4.340 0.000 0.000 0.272 11 R C -1.127 175.192 176.300 0.031 0.000 1.009 11 R CA -0.654 55.465 56.100 0.032 0.000 1.059 11 R CB 1.144 31.431 30.300 -0.022 0.000 1.112 11 R HN 0.512 nan 8.270 nan 0.000 0.517 12 I N 1.426 122.003 120.570 0.012 0.000 2.499 12 I HA 0.301 4.471 4.170 0.000 0.000 0.296 12 I C -0.015 176.099 176.117 -0.006 0.000 0.992 12 I CA -0.414 60.889 61.300 0.005 0.000 1.297 12 I CB 1.350 39.352 38.000 0.003 0.000 1.410 12 I HN 0.781 nan 8.210 nan 0.000 0.507 13 E N 2.090 122.288 120.200 -0.003 0.000 2.343 13 E HA 0.575 4.925 4.350 0.000 0.000 0.270 13 E C -0.461 176.137 176.600 -0.003 0.000 0.895 13 E CA -0.395 56.002 56.400 -0.005 0.000 0.767 13 E CB 1.459 31.160 29.700 0.002 0.000 1.248 13 E HN 0.715 nan 8.360 nan 0.000 0.440 14 H N 1.009 120.074 119.070 -0.007 0.000 2.467 14 H HA 0.355 4.912 4.556 0.000 0.000 0.331 14 H C -0.258 175.068 175.328 -0.005 0.000 1.120 14 H CA -0.200 55.844 56.048 -0.007 0.000 1.270 14 H CB 1.260 31.015 29.762 -0.010 0.000 1.466 14 H HN 0.617 nan 8.280 nan 0.000 0.504 15 D N 0.795 121.193 120.400 -0.003 0.000 2.498 15 D HA -0.053 4.588 4.640 0.000 0.000 0.223 15 D C 1.427 177.727 176.300 0.000 0.000 1.125 15 D CA 1.698 55.697 54.000 -0.001 0.000 0.835 15 D CB 0.163 40.963 40.800 0.001 0.000 1.086 15 D HN 0.882 nan 8.370 nan 0.000 0.510 16 T N -1.654 112.900 114.554 -0.001 0.000 7.714 16 T HA -0.267 4.083 4.350 0.000 0.000 0.312 16 T C 0.899 175.600 174.700 0.001 0.000 1.937 16 T CA 1.427 63.528 62.100 0.002 0.000 2.886 16 T CB -1.483 67.388 68.868 0.006 0.000 2.426 16 T HN 0.224 nan 8.240 nan 0.000 1.226 17 M N 0.413 120.012 119.600 -0.001 0.000 2.268 17 M HA 0.497 4.977 4.480 0.000 0.000 0.355 17 M C 1.061 177.357 176.300 -0.007 0.000 0.938 17 M CA 0.728 56.026 55.300 -0.004 0.000 1.025 17 M CB 1.107 33.705 32.600 -0.004 0.000 1.773 17 M HN 0.834 nan 8.290 nan 0.000 0.613 18 G N 0.600 109.396 108.800 -0.007 0.000 2.320 18 G HA2 0.243 4.203 3.960 0.000 0.000 0.297 18 G HA3 0.243 4.203 3.960 0.000 0.000 0.297 18 G C -1.917 172.978 174.900 -0.008 0.000 1.344 18 G CA -0.749 44.346 45.100 -0.009 0.000 0.851 18 G HN 0.121 nan 8.290 nan 0.000 0.567 19 E N -1.171 119.023 120.200 -0.010 0.000 2.202 19 E HA 0.716 5.066 4.350 0.000 0.000 0.272 19 E C -0.365 176.229 176.600 -0.010 0.000 0.951 19 E CA -0.859 55.536 56.400 -0.008 0.000 0.813 19 E CB 2.092 31.786 29.700 -0.010 0.000 1.151 19 E HN 1.103 nan 8.360 nan 0.000 0.398 20 V N 0.813 120.725 119.914 -0.004 0.000 2.841 20 V HA 0.607 4.727 4.120 0.000 0.000 0.310 20 V C -0.865 175.227 176.094 -0.003 0.000 1.090 20 V CA -1.148 61.151 62.300 -0.002 0.000 0.930 20 V CB 1.768 33.603 31.823 0.021 0.000 1.014 20 V HN 0.687 nan 8.190 nan 0.000 0.425 21 R N 2.415 122.898 120.500 -0.027 0.000 2.233 21 R HA 0.661 5.002 4.340 0.000 0.000 0.334 21 R C -0.430 175.864 176.300 -0.010 0.000 1.037 21 R CA -0.444 55.631 56.100 -0.042 0.000 0.920 21 R CB 1.717 31.928 30.300 -0.148 0.000 1.137 21 R HN 0.904 nan 8.270 nan 0.000 0.492 22 V N 1.180 121.125 119.914 0.053 0.000 2.532 22 V HA 0.551 4.671 4.120 0.000 0.000 0.295 22 V C -2.443 173.719 176.094 0.113 0.000 1.041 22 V CA -3.038 59.304 62.300 0.070 0.000 0.926 22 V CB 1.551 33.331 31.823 -0.072 0.000 0.992 22 V HN 0.470 nan 8.190 nan 0.000 0.457 23 P HA 0.080 nan 4.420 nan 0.000 0.266 23 P C 0.705 177.924 177.300 -0.136 0.000 1.186 23 P CA 0.903 64.059 63.100 0.093 0.000 0.767 23 P CB 0.642 32.346 31.700 0.006 0.000 0.820 24 A N 4.051 126.782 122.820 -0.148 0.000 1.972 24 A HA -0.194 4.126 4.320 0.000 0.000 0.219 24 A C 1.612 179.097 177.584 -0.166 0.000 1.169 24 A CA 1.887 53.837 52.037 -0.145 0.000 0.635 24 A CB -0.868 18.050 19.000 -0.137 0.000 0.810 24 A HN 0.631 nan 8.150 nan 0.000 0.446 25 K N -0.054 120.240 120.400 -0.176 0.000 2.476 25 K HA 0.508 4.828 4.320 0.000 0.000 0.196 25 K C 0.300 176.760 176.600 -0.233 0.000 1.025 25 K CA 0.636 56.831 56.287 -0.154 0.000 1.138 25 K CB -0.248 32.194 32.500 -0.097 0.000 0.860 25 K HN 0.221 nan 8.250 nan 0.000 0.515 26 A N 1.052 123.622 122.820 -0.417 0.000 2.328 26 A HA 0.410 4.730 4.320 0.000 0.000 0.284 26 A C 0.363 177.629 177.584 -0.530 0.000 1.160 26 A CA -0.720 50.863 52.037 -0.757 0.000 0.818 26 A CB 0.203 18.225 19.000 -1.630 0.000 1.087 26 A HN 0.404 nan 8.150 nan 0.000 0.504 27 L N 0.988 122.003 121.223 -0.347 0.000 2.567 27 L HA 0.127 4.467 4.340 0.000 0.000 0.225 27 L C 0.766 177.566 176.870 -0.115 0.000 1.119 27 L CA -0.331 54.394 54.840 -0.191 0.000 0.871 27 L CB -0.335 41.647 42.059 -0.128 0.000 1.036 27 L HN 0.927 nan 8.230 nan 0.000 0.459 28 W N 0.762 121.987 121.300 -0.125 0.000 2.141 28 W HA 0.572 5.232 4.660 0.000 0.000 0.354 28 W C 0.318 176.791 176.519 -0.077 0.000 1.297 28 W CA -1.097 56.170 57.345 -0.130 0.000 1.380 28 W CB 0.289 29.661 29.460 -0.146 0.000 1.168 28 W HN -0.243 nan 8.180 nan 0.000 0.639 29 R N 0.268 120.939 120.500 0.285 0.000 3.150 29 R HA 0.630 4.970 4.340 0.000 0.000 0.236 29 R C 1.516 177.947 176.300 0.218 0.000 1.469 29 R CA -0.485 55.705 56.100 0.150 0.000 1.045 29 R CB 0.353 30.682 30.300 0.049 0.000 1.481 29 R HN 0.612 nan 8.270 nan 0.000 0.506 30 A N 0.885 123.767 122.820 0.104 0.000 1.881 30 A HA -0.271 4.049 4.320 0.000 0.000 0.219 30 A C 1.940 179.569 177.584 0.074 0.000 1.215 30 A CA 1.721 53.808 52.037 0.084 0.000 0.648 30 A CB -0.731 18.291 19.000 0.036 0.000 0.832 30 A HN 0.588 nan 8.150 nan 0.000 0.455 31 Q N -0.828 119.004 119.800 0.052 0.000 2.112 31 Q HA -0.168 4.172 4.340 0.000 0.000 0.206 31 Q C 2.266 178.278 176.000 0.021 0.000 0.987 31 Q CA 2.184 58.006 55.803 0.032 0.000 0.858 31 Q CB -1.215 27.540 28.738 0.028 0.000 0.905 31 Q HN 0.728 nan 8.270 nan 0.000 0.420 32 T N 1.125 115.695 114.554 0.027 0.000 2.746 32 T HA -0.184 4.166 4.350 0.000 0.000 0.267 32 T C 1.871 176.486 174.700 -0.142 0.000 1.039 32 T CA 1.604 63.648 62.100 -0.094 0.000 1.142 32 T CB -0.149 68.603 68.868 -0.194 0.000 0.866 32 T HN 0.207 nan 8.240 nan 0.000 0.444 33 Q N 0.774 120.592 119.800 0.029 0.000 2.124 33 Q HA -0.054 4.287 4.340 0.000 0.000 0.202 33 Q C 2.383 178.384 176.000 0.003 0.000 0.977 33 Q CA 1.323 57.175 55.803 0.081 0.000 0.850 33 Q CB -0.049 28.838 28.738 0.249 0.000 0.901 33 Q HN 0.199 nan 8.270 nan 0.000 0.429 34 R N -0.251 120.246 120.500 -0.005 0.000 2.073 34 R HA -0.027 4.313 4.340 0.000 0.000 0.234 34 R C 2.157 178.406 176.300 -0.085 0.000 1.134 34 R CA 1.356 57.430 56.100 -0.044 0.000 0.952 34 R CB -1.255 29.023 30.300 -0.037 0.000 0.850 34 R HN 0.383 nan 8.270 nan 0.000 0.433 35 A N 0.759 123.551 122.820 -0.047 0.000 1.978 35 A HA -0.114 4.206 4.320 0.000 0.000 0.220 35 A C 2.486 180.081 177.584 0.019 0.000 1.170 35 A CA 1.537 53.584 52.037 0.017 0.000 0.636 35 A CB -0.511 18.558 19.000 0.114 0.000 0.810 35 A HN 0.118 nan 8.150 nan 0.000 0.448 36 V N -0.211 119.670 119.914 -0.055 0.000 2.358 36 V HA -0.240 3.880 4.120 0.000 0.000 0.246 36 V C 2.334 178.399 176.094 -0.049 0.000 1.047 36 V CA 2.286 64.550 62.300 -0.059 0.000 1.035 36 V CB -0.698 31.053 31.823 -0.121 0.000 0.658 36 V HN 0.662 nan 8.190 nan 0.000 0.452 37 E N 0.083 120.236 120.200 -0.078 0.000 2.216 37 E HA -0.132 4.218 4.350 0.000 0.000 0.192 37 E C 1.901 178.404 176.600 -0.163 0.000 0.988 37 E CA 1.161 57.506 56.400 -0.092 0.000 0.834 37 E CB -0.169 29.482 29.700 -0.081 0.000 0.772 37 E HN 0.706 nan 8.360 nan 0.000 0.479 38 N N -0.404 118.118 118.700 -0.297 0.000 2.354 38 N HA -0.027 4.714 4.740 0.000 0.000 0.179 38 N C -0.210 174.877 175.510 -0.705 0.000 1.021 38 N CA 0.469 53.174 53.050 -0.576 0.000 0.887 38 N CB 0.287 38.244 38.487 -0.882 0.000 0.974 38 N HN 0.025 nan 8.380 nan 0.000 0.437 39 F N 0.497 120.436 119.950 -0.019 0.000 2.597 39 F HA 0.322 4.849 4.527 0.000 0.000 0.336 39 F C -2.304 173.499 175.800 0.006 0.000 1.432 39 F CA -2.309 55.690 58.000 -0.001 0.000 1.120 39 F CB 0.869 39.874 39.000 0.007 0.000 1.253 39 F HN -0.176 nan 8.300 nan 0.000 0.546 40 P HA 0.247 nan 4.420 nan 0.000 0.244 40 P C 0.591 177.937 177.300 0.077 0.000 1.769 40 P CA 0.491 63.635 63.100 0.073 0.000 1.102 40 P CB 0.453 32.168 31.700 0.025 0.000 1.937 41 I N 0.983 121.622 120.570 0.115 0.000 3.345 41 I HA -0.055 4.115 4.170 0.000 0.000 0.258 41 I C 2.087 178.239 176.117 0.058 0.000 1.134 41 I CA 0.922 62.268 61.300 0.077 0.000 1.457 41 I CB -0.041 38.020 38.000 0.102 0.000 1.425 41 I HN 0.177 nan 8.210 nan 0.000 0.461 42 S N -0.209 115.574 115.700 0.140 0.000 2.514 42 S HA 0.255 4.725 4.470 0.000 0.000 0.223 42 S C 1.651 176.314 174.600 0.106 0.000 1.046 42 S CA 0.592 58.877 58.200 0.143 0.000 0.914 42 S CB 0.957 64.347 63.200 0.316 0.000 0.807 42 S HN 0.560 nan 8.310 nan 0.000 0.497 43 G N 1.666 110.526 108.800 0.100 0.000 2.148 43 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 43 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 43 G C -0.018 174.921 174.900 0.065 0.000 0.981 43 G CA 0.337 45.479 45.100 0.071 0.000 0.670 43 G HN 0.832 nan 8.290 nan 0.000 0.528 44 R N 0.113 120.658 120.500 0.076 0.000 2.534 44 R HA 0.620 4.960 4.340 0.000 0.000 0.301 44 R C 0.796 177.114 176.300 0.030 0.000 0.961 44 R CA 0.100 56.231 56.100 0.053 0.000 0.871 44 R CB 0.929 31.264 30.300 0.058 0.000 1.170 44 R HN 0.303 nan 8.270 nan 0.000 0.446 45 G N 3.186 112.001 108.800 0.024 0.000 2.736 45 G HA2 0.331 4.291 3.960 0.000 0.000 0.229 45 G HA3 0.331 4.291 3.960 0.000 0.000 0.229 45 G C -0.380 174.524 174.900 0.008 0.000 1.380 45 G CA -0.970 44.140 45.100 0.017 0.000 1.040 45 G HN 0.463 nan 8.290 nan 0.000 0.568 46 L N 0.798 122.037 121.223 0.027 0.000 2.461 46 L HA 0.171 4.511 4.340 0.000 0.000 0.272 46 L C 0.490 177.344 176.870 -0.026 0.000 1.197 46 L CA -0.469 54.373 54.840 0.003 0.000 0.836 46 L CB 0.553 42.613 42.059 0.001 0.000 1.105 46 L HN 0.346 nan 8.230 nan 0.000 0.477 47 E N 2.213 122.388 120.200 -0.042 0.000 2.383 47 E HA 0.052 4.402 4.350 0.000 0.000 0.264 47 E C 1.000 177.550 176.600 -0.082 0.000 1.050 47 E CA -0.019 56.350 56.400 -0.051 0.000 0.896 47 E CB 0.827 30.498 29.700 -0.047 0.000 0.982 47 E HN 0.400 nan 8.360 nan 0.000 0.424 48 R N 0.579 121.036 120.500 -0.072 0.000 2.096 48 R HA -0.188 4.152 4.340 0.000 0.000 0.240 48 R C 2.142 178.377 176.300 -0.108 0.000 1.139 48 R CA 2.030 58.078 56.100 -0.087 0.000 0.952 48 R CB -0.484 29.780 30.300 -0.060 0.000 0.854 48 R HN 0.500 nan 8.270 nan 0.000 0.436 49 T N 0.023 114.517 114.554 -0.101 0.000 2.849 49 T HA -0.211 4.139 4.350 0.000 0.000 0.270 49 T C 1.819 176.446 174.700 -0.123 0.000 1.066 49 T CA 1.461 63.497 62.100 -0.106 0.000 1.130 49 T CB -0.007 68.795 68.868 -0.111 0.000 0.864 49 T HN 0.305 nan 8.240 nan 0.000 0.481 50 Q N -0.582 119.136 119.800 -0.136 0.000 2.137 50 Q HA 0.102 4.442 4.340 0.000 0.000 0.198 50 Q C 2.283 178.161 176.000 -0.204 0.000 0.960 50 Q CA 0.921 56.624 55.803 -0.167 0.000 0.847 50 Q CB -0.058 28.594 28.738 -0.145 0.000 0.915 50 Q HN 0.588 nan 8.270 nan 0.000 0.448 51 I N 0.322 120.739 120.570 -0.256 0.000 2.226 51 I HA -0.306 3.864 4.170 0.000 0.000 0.245 51 I C 2.601 178.561 176.117 -0.261 0.000 1.100 51 I CA 1.209 62.257 61.300 -0.420 0.000 1.374 51 I CB -0.337 37.315 38.000 -0.581 0.000 1.057 51 I HN 0.196 nan 8.210 nan 0.000 0.413 52 R N 1.659 122.059 120.500 -0.166 0.000 2.083 52 R HA -0.194 4.146 4.340 0.000 0.000 0.237 52 R C 2.350 178.601 176.300 -0.081 0.000 1.137 52 R CA 1.776 57.820 56.100 -0.094 0.000 0.951 52 R CB -0.338 29.921 30.300 -0.069 0.000 0.851 52 R HN 0.324 nan 8.270 nan 0.000 0.434 53 A N 1.237 123.996 122.820 -0.102 0.000 1.933 53 A HA -0.108 4.212 4.320 0.000 0.000 0.218 53 A C 2.248 179.787 177.584 -0.076 0.000 1.175 53 A CA 1.255 53.237 52.037 -0.091 0.000 0.628 53 A CB -0.531 18.398 19.000 -0.118 0.000 0.814 53 A HN 0.384 nan 8.150 nan 0.000 0.444 54 L N -0.670 120.500 121.223 -0.088 0.000 2.046 54 L HA -0.154 4.186 4.340 0.000 0.000 0.208 54 L C 2.841 179.718 176.870 0.010 0.000 1.077 54 L CA 1.112 55.934 54.840 -0.031 0.000 0.747 54 L CB -0.765 41.286 42.059 -0.013 0.000 0.896 54 L HN 0.502 nan 8.230 nan 0.000 0.432 55 G N 0.124 108.922 108.800 -0.002 0.000 2.459 55 G HA2 -0.253 3.708 3.960 0.000 0.000 0.217 55 G HA3 -0.253 3.708 3.960 0.000 0.000 0.217 55 G C 1.579 176.491 174.900 0.021 0.000 1.183 55 G CA 0.839 45.958 45.100 0.031 0.000 0.776 55 G HN 0.244 nan 8.290 nan 0.000 0.552 56 L N -0.372 120.850 121.223 -0.002 0.000 2.012 56 L HA -0.093 4.247 4.340 0.000 0.000 0.210 56 L C 2.736 179.602 176.870 -0.006 0.000 1.073 56 L CA 0.801 55.636 54.840 -0.008 0.000 0.748 56 L CB -0.569 41.476 42.059 -0.024 0.000 0.891 56 L HN 0.223 nan 8.230 nan 0.000 0.431 57 L N -0.216 121.003 121.223 -0.007 0.000 2.017 57 L HA -0.197 4.143 4.340 0.000 0.000 0.208 57 L C 2.583 179.470 176.870 0.028 0.000 1.073 57 L CA 1.838 56.678 54.840 0.001 0.000 0.745 57 L CB -0.594 41.467 42.059 0.003 0.000 0.894 57 L HN 0.078 nan 8.230 nan 0.000 0.432 58 K N -0.186 120.243 120.400 0.048 0.000 2.057 58 K HA -0.021 4.299 4.320 0.000 0.000 0.207 58 K C 2.053 178.688 176.600 0.059 0.000 1.049 58 K CA 1.230 57.560 56.287 0.070 0.000 0.931 58 K CB -1.141 31.409 32.500 0.083 0.000 0.714 58 K HN 0.520 nan 8.250 nan 0.000 0.440 59 G N 1.187 110.012 108.800 0.041 0.000 2.421 59 G HA2 -0.241 3.720 3.960 0.000 0.000 0.216 59 G HA3 -0.241 3.720 3.960 0.000 0.000 0.216 59 G C 1.731 176.641 174.900 0.017 0.000 1.171 59 G CA 1.297 46.415 45.100 0.031 0.000 0.775 59 G HN 0.375 nan 8.290 nan 0.000 0.543 60 A N 0.006 122.823 122.820 -0.004 0.000 1.908 60 A HA -0.115 4.205 4.320 0.000 0.000 0.218 60 A C 2.601 180.158 177.584 -0.046 0.000 1.181 60 A CA 1.882 53.896 52.037 -0.038 0.000 0.627 60 A CB -1.085 17.877 19.000 -0.065 0.000 0.818 60 A HN 0.430 nan 8.150 nan 0.000 0.445 61 C N -1.141 118.159 119.300 -0.000 0.000 2.413 61 C HA 0.016 4.476 4.460 0.000 0.000 0.276 61 C C 3.342 178.420 174.990 0.148 0.000 1.236 61 C CA 0.890 59.966 59.018 0.097 0.000 1.735 61 C CB -1.374 26.506 27.740 0.234 0.000 2.031 61 C HN 0.710 nan 8.230 nan 0.000 0.474 62 A N -0.080 122.801 122.820 0.101 0.000 1.902 62 A HA -0.242 4.078 4.320 0.000 0.000 0.217 62 A C 2.059 179.683 177.584 0.066 0.000 1.181 62 A CA 2.132 54.222 52.037 0.088 0.000 0.623 62 A CB -0.727 18.312 19.000 0.066 0.000 0.818 62 A HN 0.609 nan 8.150 nan 0.000 0.443 63 Q N 0.085 119.907 119.800 0.037 0.000 2.061 63 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 63 Q C 1.825 177.838 176.000 0.021 0.000 0.984 63 Q CA 2.526 58.340 55.803 0.018 0.000 0.846 63 Q CB -0.651 28.084 28.738 -0.005 0.000 0.902 63 Q HN 0.333 nan 8.270 nan 0.000 0.421 64 V N 1.119 121.039 119.914 0.010 0.000 2.379 64 V HA -0.199 3.921 4.120 0.000 0.000 0.245 64 V C 2.021 178.192 176.094 0.130 0.000 1.044 64 V CA 1.774 64.082 62.300 0.014 0.000 1.036 64 V CB -0.746 30.985 31.823 -0.154 0.000 0.664 64 V HN 0.428 nan 8.190 nan 0.000 0.453 65 N N 0.123 118.948 118.700 0.210 0.000 2.104 65 N HA -0.169 4.571 4.740 0.000 0.000 0.190 65 N C 2.190 177.759 175.510 0.097 0.000 1.024 65 N CA 1.865 55.026 53.050 0.185 0.000 0.853 65 N CB -0.438 38.145 38.487 0.159 0.000 1.008 65 N HN 0.461 nan 8.380 nan 0.000 0.424 66 S N 0.974 116.718 115.700 0.074 0.000 2.356 66 S HA -0.138 4.332 4.470 0.000 0.000 0.223 66 S C 1.300 175.925 174.600 0.041 0.000 1.032 66 S CA 1.295 59.523 58.200 0.048 0.000 1.005 66 S CB -0.248 62.975 63.200 0.038 0.000 0.867 66 S HN 0.167 nan 8.310 nan 0.000 0.449 67 D N 1.271 121.695 120.400 0.040 0.000 2.133 67 D HA -0.086 4.554 4.640 0.000 0.000 0.195 67 D C 1.602 177.923 176.300 0.036 0.000 0.997 67 D CA 1.103 55.122 54.000 0.030 0.000 0.840 67 D CB -0.376 40.437 40.800 0.021 0.000 0.947 67 D HN 0.432 nan 8.370 nan 0.000 0.452 68 L N -0.440 120.816 121.223 0.054 0.000 2.627 68 L HA 0.178 4.519 4.340 0.000 0.000 0.233 68 L C 1.251 178.144 176.870 0.039 0.000 1.144 68 L CA 0.177 55.048 54.840 0.053 0.000 0.892 68 L CB -0.271 41.837 42.059 0.081 0.000 1.039 68 L HN 0.065 nan 8.230 nan 0.000 0.442 69 G N 0.585 109.405 108.800 0.035 0.000 2.249 69 G HA2 -0.287 3.674 3.960 0.000 0.000 0.273 69 G HA3 -0.287 3.674 3.960 0.000 0.000 0.273 69 G C 0.632 175.545 174.900 0.021 0.000 1.036 69 G CA 0.377 45.492 45.100 0.025 0.000 0.824 69 G HN 0.408 nan 8.290 nan 0.000 0.504 70 L N -1.787 119.452 121.223 0.027 0.000 2.556 70 L HA 0.497 4.837 4.340 0.000 0.000 0.226 70 L C 0.879 177.757 176.870 0.014 0.000 1.089 70 L CA 0.105 54.954 54.840 0.015 0.000 0.864 70 L CB 0.394 42.460 42.059 0.011 0.000 1.067 70 L HN 0.315 nan 8.230 nan 0.000 0.477 71 L N 0.096 121.335 121.223 0.025 0.000 2.410 71 L HA 0.684 5.024 4.340 0.000 0.000 0.270 71 L C -0.075 176.810 176.870 0.025 0.000 0.983 71 L CA -0.521 54.334 54.840 0.026 0.000 0.822 71 L CB 1.574 43.656 42.059 0.038 0.000 1.285 71 L HN -0.087 nan 8.230 nan 0.000 0.409 72 A N 6.884 129.716 122.820 0.021 0.000 2.520 72 A HA 0.381 4.701 4.320 0.000 0.000 0.245 72 A C -1.617 175.980 177.584 0.022 0.000 1.072 72 A CA -0.594 51.454 52.037 0.019 0.000 0.761 72 A CB -0.466 18.544 19.000 0.017 0.000 1.004 72 A HN 0.758 nan 8.150 nan 0.000 0.499 73 P HA -0.226 nan 4.420 nan 0.000 0.217 73 P C 0.770 178.083 177.300 0.020 0.000 1.148 73 P CA 1.782 64.894 63.100 0.020 0.000 0.834 73 P CB 0.144 31.854 31.700 0.017 0.000 0.783 74 E N 0.502 120.714 120.200 0.019 0.000 2.077 74 E HA -0.155 4.195 4.350 0.000 0.000 0.193 74 E C 2.088 178.701 176.600 0.022 0.000 0.989 74 E CA 1.141 57.552 56.400 0.018 0.000 0.800 74 E CB -0.483 29.227 29.700 0.016 0.000 0.746 74 E HN 0.328 nan 8.360 nan 0.000 0.452 75 K N 0.746 121.161 120.400 0.025 0.000 2.057 75 K HA -0.055 4.265 4.320 0.000 0.000 0.206 75 K C 2.322 178.942 176.600 0.033 0.000 1.050 75 K CA 1.023 57.327 56.287 0.029 0.000 0.935 75 K CB -0.218 32.302 32.500 0.032 0.000 0.715 75 K HN 0.100 nan 8.250 nan 0.000 0.439 76 A N 2.267 125.107 122.820 0.033 0.000 1.873 76 A HA -0.251 4.069 4.320 0.000 0.000 0.218 76 A C 1.675 179.279 177.584 0.032 0.000 1.193 76 A CA 2.170 54.229 52.037 0.036 0.000 0.629 76 A CB -0.620 18.402 19.000 0.036 0.000 0.826 76 A HN 0.211 nan 8.150 nan 0.000 0.447 77 D N -0.057 120.359 120.400 0.027 0.000 2.149 77 D HA -0.065 4.575 4.640 0.000 0.000 0.198 77 D C 2.166 178.481 176.300 0.026 0.000 0.990 77 D CA 1.509 55.523 54.000 0.024 0.000 0.839 77 D CB -0.423 40.389 40.800 0.020 0.000 0.948 77 D HN 0.465 nan 8.370 nan 0.000 0.460 78 A N 0.589 123.424 122.820 0.026 0.000 1.929 78 A HA -0.080 4.240 4.320 0.000 0.000 0.216 78 A C 2.367 179.969 177.584 0.030 0.000 1.176 78 A CA 0.620 52.673 52.037 0.026 0.000 0.628 78 A CB -0.546 18.468 19.000 0.023 0.000 0.816 78 A HN 0.162 nan 8.150 nan 0.000 0.444 79 I N -0.275 120.316 120.570 0.035 0.000 2.179 79 I HA -0.249 3.921 4.170 0.000 0.000 0.242 79 I C 2.275 178.417 176.117 0.042 0.000 1.088 79 I CA 1.289 62.614 61.300 0.041 0.000 1.357 79 I CB -0.328 37.701 38.000 0.049 0.000 1.051 79 I HN 0.294 nan 8.210 nan 0.000 0.409 80 I N 0.824 121.416 120.570 0.037 0.000 2.208 80 I HA -0.310 3.860 4.170 0.000 0.000 0.245 80 I C 2.732 178.870 176.117 0.036 0.000 1.097 80 I CA 1.493 62.814 61.300 0.034 0.000 1.363 80 I CB -0.432 37.584 38.000 0.027 0.000 1.051 80 I HN 0.208 nan 8.210 nan 0.000 0.413 81 A N 0.434 123.276 122.820 0.036 0.000 1.930 81 A HA 0.004 4.325 4.320 0.000 0.000 0.215 81 A C 2.527 180.143 177.584 0.052 0.000 1.176 81 A CA 1.378 53.439 52.037 0.040 0.000 0.632 81 A CB -0.644 18.377 19.000 0.035 0.000 0.819 81 A HN 0.400 nan 8.150 nan 0.000 0.445 82 A N 0.196 123.044 122.820 0.047 0.000 1.858 82 A HA 0.156 4.476 4.320 0.000 0.000 0.216 82 A C 2.519 180.144 177.584 0.068 0.000 1.190 82 A CA 2.105 54.170 52.037 0.048 0.000 0.617 82 A CB -1.164 17.850 19.000 0.024 0.000 0.827 82 A HN 1.087 nan 8.150 nan 0.000 0.443 83 A N -0.205 122.653 122.820 0.064 0.000 1.948 83 A HA 0.079 4.399 4.320 0.000 0.000 0.220 83 A C 2.448 180.076 177.584 0.074 0.000 1.177 83 A CA 2.284 54.364 52.037 0.072 0.000 0.636 83 A CB -0.932 18.103 19.000 0.058 0.000 0.815 83 A HN 1.112 nan 8.150 nan 0.000 0.449 84 A N -0.393 122.466 122.820 0.065 0.000 1.968 84 A HA -0.106 4.214 4.320 0.000 0.000 0.217 84 A C 1.895 179.526 177.584 0.079 0.000 1.169 84 A CA 1.458 53.530 52.037 0.058 0.000 0.638 84 A CB -0.411 18.615 19.000 0.043 0.000 0.812 84 A HN 0.651 nan 8.150 nan 0.000 0.446 85 E N -0.130 120.141 120.200 0.117 0.000 2.047 85 E HA -0.138 4.213 4.350 0.000 0.000 0.191 85 E C 1.851 178.583 176.600 0.220 0.000 0.987 85 E CA 1.219 57.721 56.400 0.169 0.000 0.799 85 E CB -0.309 29.555 29.700 0.273 0.000 0.752 85 E HN 0.683 nan 8.360 nan 0.000 0.449 86 I N 1.318 122.042 120.570 0.257 0.000 2.163 86 I HA -0.277 3.893 4.170 0.000 0.000 0.243 86 I C 2.505 178.686 176.117 0.108 0.000 1.085 86 I CA 1.095 62.542 61.300 0.245 0.000 1.347 86 I CB -0.298 37.834 38.000 0.220 0.000 1.044 86 I HN 0.081 nan 8.210 nan 0.000 0.408 87 A N -0.303 122.559 122.820 0.070 0.000 2.067 87 A HA -0.236 4.084 4.320 0.000 0.000 0.219 87 A C 1.802 179.398 177.584 0.020 0.000 1.158 87 A CA 1.845 53.896 52.037 0.024 0.000 0.661 87 A CB -0.492 18.519 19.000 0.018 0.000 0.801 87 A HN 0.439 nan 8.150 nan 0.000 0.452 88 D N -1.612 118.811 120.400 0.038 0.000 2.328 88 D HA 0.280 4.920 4.640 0.000 0.000 0.221 88 D C 1.142 177.450 176.300 0.013 0.000 1.072 88 D CA 0.912 54.926 54.000 0.023 0.000 0.850 88 D CB -0.218 40.597 40.800 0.026 0.000 0.922 88 D HN 0.471 nan 8.370 nan 0.000 0.516 89 G N 0.863 109.676 108.800 0.020 0.000 2.147 89 G HA2 -0.348 3.613 3.960 0.000 0.000 0.244 89 G HA3 -0.348 3.613 3.960 0.000 0.000 0.244 89 G C 0.861 175.756 174.900 -0.010 0.000 1.005 89 G CA 0.401 45.505 45.100 0.007 0.000 0.713 89 G HN 0.472 nan 8.290 nan 0.000 0.515 90 Q N -0.696 119.082 119.800 -0.038 0.000 2.403 90 Q HA 0.122 4.463 4.340 0.000 0.000 0.203 90 Q C 0.822 176.550 176.000 -0.453 0.000 0.932 90 Q CA 0.468 56.131 55.803 -0.234 0.000 0.945 90 Q CB 0.271 28.825 28.738 -0.306 0.000 1.045 90 Q HN 0.768 nan 8.270 nan 0.000 0.511 91 H N -0.712 118.440 119.070 0.136 0.000 2.750 91 H HA 0.103 4.659 4.556 0.000 0.000 0.239 91 H C -0.187 175.329 175.328 0.313 0.000 1.210 91 H CA -0.181 55.999 56.048 0.219 0.000 0.936 91 H CB 0.733 30.658 29.762 0.272 0.000 2.074 91 H HN 0.177 nan 8.280 nan 0.000 0.622 92 D N 0.862 121.409 120.400 0.245 0.000 2.384 92 D HA -0.109 4.531 4.640 0.000 0.000 0.222 92 D C 1.362 177.833 176.300 0.286 0.000 0.976 92 D CA 0.918 55.042 54.000 0.207 0.000 0.915 92 D CB 0.109 40.956 40.800 0.079 0.000 0.896 92 D HN 0.583 nan 8.370 nan 0.000 0.523 93 D N -0.588 119.989 120.400 0.295 0.000 2.368 93 D HA -0.049 4.591 4.640 0.000 0.000 0.218 93 D C 0.864 177.377 176.300 0.356 0.000 1.112 93 D CA 0.091 54.254 54.000 0.271 0.000 0.834 93 D CB 0.045 40.960 40.800 0.192 0.000 0.953 93 D HN 0.023 nan 8.370 nan 0.000 0.505 94 Q N 0.009 120.061 119.800 0.420 0.000 2.188 94 Q HA 0.191 4.532 4.340 0.000 0.000 0.212 94 Q C -0.609 175.311 176.000 -0.133 0.000 0.846 94 Q CA -0.191 55.780 55.803 0.280 0.000 0.989 94 Q CB 0.263 29.059 28.738 0.097 0.000 1.114 94 Q HN 0.309 nan 8.270 nan 0.000 0.488 95 F N 1.886 121.904 119.950 0.113 0.000 2.550 95 F HA 0.297 4.824 4.527 0.000 0.000 0.348 95 F C -1.523 174.209 175.800 -0.114 0.000 1.219 95 F CA -1.538 56.453 58.000 -0.015 0.000 1.203 95 F CB 1.459 40.479 39.000 0.033 0.000 1.436 95 F HN -0.077 nan 8.300 nan 0.000 0.541 96 P HA 0.047 nan 4.420 nan 0.000 0.245 96 P C 0.413 177.608 177.300 -0.175 0.000 1.206 96 P CA 0.623 63.565 63.100 -0.262 0.000 0.781 96 P CB 0.592 31.900 31.700 -0.653 0.000 0.994 97 I N 1.539 122.020 120.570 -0.150 0.000 2.618 97 I HA 0.022 4.192 4.170 0.000 0.000 0.284 97 I C 1.056 177.159 176.117 -0.023 0.000 1.146 97 I CA 0.035 61.291 61.300 -0.072 0.000 1.425 97 I CB 0.004 37.970 38.000 -0.056 0.000 1.383 97 I HN -0.066 nan 8.210 nan 0.000 0.562 98 D N 4.791 125.203 120.400 0.020 0.000 2.472 98 D HA -0.031 4.610 4.640 0.000 0.000 0.237 98 D C 1.129 177.381 176.300 -0.079 0.000 1.141 98 D CA 0.041 54.058 54.000 0.028 0.000 0.875 98 D CB 1.553 42.432 40.800 0.131 0.000 1.192 98 D HN 0.273 nan 8.370 nan 0.000 0.450 99 V N 4.024 123.864 119.914 -0.124 0.000 2.392 99 V HA -0.238 3.882 4.120 0.000 0.000 0.249 99 V C 0.898 176.688 176.094 -0.506 0.000 1.059 99 V CA 1.292 63.395 62.300 -0.327 0.000 1.051 99 V CB -0.441 31.101 31.823 -0.469 0.000 0.658 99 V HN 0.408 nan 8.190 nan 0.000 0.455 100 F N 1.868 121.738 119.950 -0.134 0.000 2.423 100 F HA 0.428 4.955 4.527 0.000 0.000 0.356 100 F C 0.628 176.150 175.800 -0.464 0.000 1.170 100 F CA -0.278 57.602 58.000 -0.200 0.000 1.163 100 F CB -0.222 38.722 39.000 -0.095 0.000 1.318 100 F HN 0.316 nan 8.300 nan 0.000 0.569 101 Q N -0.368 119.087 119.800 -0.575 0.000 3.078 101 Q HA 0.515 4.855 4.340 0.000 0.000 0.348 101 Q C -0.746 174.779 176.000 -0.791 0.000 0.861 101 Q CA -1.266 53.764 55.803 -1.288 0.000 0.822 101 Q CB 0.650 28.827 28.738 -0.934 0.000 1.395 101 Q HN 0.185 nan 8.270 nan 0.000 0.497 102 T N 0.865 115.039 114.554 -0.634 0.000 2.905 102 T HA 0.074 4.424 4.350 0.000 0.000 0.299 102 T C 1.245 175.782 174.700 -0.271 0.000 1.024 102 T CA 0.534 62.476 62.100 -0.263 0.000 1.151 102 T CB 0.474 69.271 68.868 -0.118 0.000 0.987 102 T HN 0.735 nan 8.240 nan 0.000 0.535 103 G N 1.674 110.356 108.800 -0.197 0.000 2.498 103 G HA2 -0.186 3.775 3.960 0.000 0.000 0.219 103 G HA3 -0.186 3.775 3.960 0.000 0.000 0.219 103 G C 1.609 176.425 174.900 -0.140 0.000 1.119 103 G CA 0.693 45.681 45.100 -0.187 0.000 0.766 103 G HN 0.769 nan 8.290 nan 0.000 0.552 104 S N -1.144 114.473 115.700 -0.139 0.000 2.503 104 S HA 0.364 4.834 4.470 0.000 0.000 0.217 104 S C 1.817 176.286 174.600 -0.219 0.000 0.999 104 S CA 0.962 59.112 58.200 -0.085 0.000 0.914 104 S CB 0.115 63.292 63.200 -0.037 0.000 0.782 104 S HN 1.443 nan 8.310 nan 0.000 0.520 105 G N 0.724 109.243 108.800 -0.468 0.000 2.132 105 G HA2 -0.275 3.685 3.960 0.000 0.000 0.234 105 G HA3 -0.275 3.685 3.960 0.000 0.000 0.234 105 G C 0.642 175.267 174.900 -0.458 0.000 0.989 105 G CA 0.448 44.976 45.100 -0.954 0.000 0.676 105 G HN 0.447 nan 8.290 nan 0.000 0.522 106 T N 0.879 115.301 114.554 -0.220 0.000 2.665 106 T HA -0.151 4.199 4.350 0.000 0.000 0.268 106 T C 2.643 177.306 174.700 -0.062 0.000 1.035 106 T CA 2.157 64.208 62.100 -0.083 0.000 1.151 106 T CB -0.275 68.571 68.868 -0.036 0.000 0.862 106 T HN 0.473 nan 8.240 nan 0.000 0.438 107 S N 1.290 116.935 115.700 -0.093 0.000 2.353 107 S HA -0.114 4.357 4.470 0.000 0.000 0.222 107 S C 2.508 177.094 174.600 -0.024 0.000 1.035 107 S CA 1.302 59.481 58.200 -0.035 0.000 1.025 107 S CB -0.489 62.703 63.200 -0.014 0.000 0.902 107 S HN 0.428 nan 8.310 nan 0.000 0.440 108 S N 1.513 117.172 115.700 -0.069 0.000 2.399 108 S HA -0.098 4.372 4.470 0.000 0.000 0.231 108 S C 1.794 176.495 174.600 0.168 0.000 1.022 108 S CA 1.060 59.302 58.200 0.070 0.000 0.983 108 S CB -0.496 62.767 63.200 0.105 0.000 0.803 108 S HN 0.548 nan 8.310 nan 0.000 0.480 109 N N 1.560 120.336 118.700 0.127 0.000 2.084 109 N HA -0.014 4.726 4.740 0.000 0.000 0.190 109 N C 1.665 177.249 175.510 0.124 0.000 1.030 109 N CA 1.559 54.708 53.050 0.165 0.000 0.849 109 N CB -0.292 38.281 38.487 0.143 0.000 1.012 109 N HN 0.350 nan 8.380 nan 0.000 0.423 110 M N -0.060 119.587 119.600 0.079 0.000 2.117 110 M HA -0.149 4.331 4.480 0.000 0.000 0.262 110 M C 2.086 178.422 176.300 0.059 0.000 1.065 110 M CA 1.445 56.782 55.300 0.063 0.000 1.114 110 M CB -0.542 32.083 32.600 0.043 0.000 1.361 110 M HN 0.347 nan 8.290 nan 0.000 0.408 111 N N -0.471 118.262 118.700 0.055 0.000 2.094 111 N HA -0.172 4.568 4.740 0.000 0.000 0.191 111 N C 1.322 176.845 175.510 0.022 0.000 1.023 111 N CA 1.907 54.962 53.050 0.009 0.000 0.857 111 N CB 0.139 38.635 38.487 0.015 0.000 1.013 111 N HN 0.273 nan 8.380 nan 0.000 0.426 112 T N 0.718 115.386 114.554 0.190 0.000 2.737 112 T HA -0.058 4.293 4.350 0.000 0.000 0.265 112 T C 1.494 176.275 174.700 0.136 0.000 1.038 112 T CA 0.982 63.246 62.100 0.272 0.000 1.144 112 T CB -0.369 68.689 68.868 0.316 0.000 0.866 112 T HN 0.315 nan 8.240 nan 0.000 0.434 113 N N 1.446 120.210 118.700 0.107 0.000 2.069 113 N HA -0.108 4.633 4.740 0.000 0.000 0.191 113 N C 1.897 177.431 175.510 0.040 0.000 1.031 113 N CA 1.232 54.328 53.050 0.076 0.000 0.852 113 N CB -0.358 38.175 38.487 0.076 0.000 1.018 113 N HN 0.572 nan 8.380 nan 0.000 0.423 114 E N 0.253 120.469 120.200 0.026 0.000 2.077 114 E HA -0.084 4.266 4.350 0.000 0.000 0.193 114 E C 1.972 178.562 176.600 -0.016 0.000 0.989 114 E CA 0.811 57.216 56.400 0.008 0.000 0.800 114 E CB 0.043 29.764 29.700 0.034 0.000 0.746 114 E HN 0.075 nan 8.360 nan 0.000 0.452 115 V N 1.222 121.111 119.914 -0.042 0.000 2.427 115 V HA -0.225 3.895 4.120 0.000 0.000 0.248 115 V C 2.181 178.231 176.094 -0.073 0.000 1.051 115 V CA 1.334 63.577 62.300 -0.095 0.000 1.048 115 V CB -0.295 31.401 31.823 -0.211 0.000 0.666 115 V HN 0.258 nan 8.190 nan 0.000 0.456 116 I N 0.312 120.873 120.570 -0.016 0.000 2.315 116 I HA -0.202 3.968 4.170 0.000 0.000 0.248 116 I C 2.573 178.684 176.117 -0.009 0.000 1.117 116 I CA 1.353 62.653 61.300 -0.001 0.000 1.404 116 I CB -0.390 37.635 38.000 0.042 0.000 1.071 116 I HN 0.283 nan 8.210 nan 0.000 0.419 117 A N -0.338 122.478 122.820 -0.007 0.000 1.930 117 A HA -0.156 4.164 4.320 0.000 0.000 0.217 117 A C 2.453 180.020 177.584 -0.028 0.000 1.175 117 A CA 1.898 53.928 52.037 -0.012 0.000 0.627 117 A CB -0.573 18.417 19.000 -0.016 0.000 0.815 117 A HN 0.357 nan 8.150 nan 0.000 0.443 118 S N -0.183 115.490 115.700 -0.045 0.000 2.368 118 S HA -0.067 4.403 4.470 0.000 0.000 0.224 118 S C 1.791 176.358 174.600 -0.055 0.000 1.029 118 S CA 1.337 59.502 58.200 -0.057 0.000 0.988 118 S CB -0.426 62.728 63.200 -0.078 0.000 0.838 118 S HN 0.541 nan 8.310 nan 0.000 0.462 119 I N 1.590 122.118 120.570 -0.070 0.000 2.252 119 I HA -0.193 3.977 4.170 0.000 0.000 0.245 119 I C 2.630 178.735 176.117 -0.021 0.000 1.102 119 I CA 1.079 62.344 61.300 -0.059 0.000 1.385 119 I CB -0.394 37.547 38.000 -0.097 0.000 1.064 119 I HN 0.265 nan 8.210 nan 0.000 0.414 120 A N 0.581 123.392 122.820 -0.014 0.000 1.969 120 A HA -0.101 4.220 4.320 0.000 0.000 0.218 120 A C 2.515 180.098 177.584 -0.001 0.000 1.169 120 A CA 1.620 53.657 52.037 0.001 0.000 0.635 120 A CB -0.681 18.324 19.000 0.008 0.000 0.810 120 A HN 0.423 nan 8.150 nan 0.000 0.445 121 A N -0.045 122.769 122.820 -0.010 0.000 1.930 121 A HA -0.128 4.192 4.320 0.000 0.000 0.217 121 A C 2.022 179.600 177.584 -0.010 0.000 1.175 121 A CA 1.630 53.661 52.037 -0.011 0.000 0.627 121 A CB -0.393 18.594 19.000 -0.020 0.000 0.815 121 A HN 0.500 nan 8.150 nan 0.000 0.443 122 K N -0.746 119.647 120.400 -0.012 0.000 2.442 122 K HA -0.056 4.264 4.320 0.000 0.000 0.198 122 K C 1.253 177.854 176.600 0.002 0.000 1.042 122 K CA 0.714 56.997 56.287 -0.007 0.000 0.958 122 K CB -0.149 32.348 32.500 -0.005 0.000 0.766 122 K HN 0.456 nan 8.250 nan 0.000 0.474 123 G N -0.329 108.473 108.800 0.004 0.000 3.690 123 G HA2 0.246 4.206 3.960 0.000 0.000 0.283 123 G HA3 0.246 4.206 3.960 0.000 0.000 0.283 123 G C 0.636 175.540 174.900 0.007 0.000 1.057 123 G CA 0.102 45.207 45.100 0.008 0.000 0.821 123 G HN 0.264 nan 8.290 nan 0.000 0.526 124 G N -0.849 107.953 108.800 0.003 0.000 2.160 124 G HA2 -0.199 3.762 3.960 0.000 0.000 0.251 124 G HA3 -0.199 3.762 3.960 0.000 0.000 0.251 124 G C 0.013 174.917 174.900 0.006 0.000 1.008 124 G CA 0.312 45.414 45.100 0.003 0.000 0.724 124 G HN 0.911 nan 8.290 nan 0.000 0.514 125 V N 0.185 120.103 119.914 0.007 0.000 2.604 125 V HA 0.697 4.817 4.120 0.000 0.000 0.305 125 V C 0.393 176.492 176.094 0.010 0.000 1.043 125 V CA -0.458 61.848 62.300 0.010 0.000 0.888 125 V CB 2.038 33.869 31.823 0.014 0.000 0.995 125 V HN 0.250 nan 8.190 nan 0.000 0.429 126 T N 6.313 120.875 114.554 0.013 0.000 2.767 126 T HA 0.698 5.048 4.350 0.000 0.000 0.288 126 T C -0.435 174.282 174.700 0.028 0.000 0.963 126 T CA -0.154 61.955 62.100 0.015 0.000 1.019 126 T CB 0.421 69.298 68.868 0.016 0.000 0.923 126 T HN 0.374 nan 8.240 nan 0.000 0.468 127 L N 2.841 124.080 121.223 0.027 0.000 2.386 127 L HA 0.410 4.750 4.340 0.000 0.000 0.271 127 L C -0.023 176.885 176.870 0.064 0.000 0.993 127 L CA -1.166 53.705 54.840 0.051 0.000 0.819 127 L CB 1.838 43.923 42.059 0.043 0.000 1.294 127 L HN 0.597 nan 8.230 nan 0.000 0.414 128 H N 4.422 123.498 119.070 0.011 0.000 2.864 128 H HA 0.172 4.729 4.556 0.000 0.000 0.281 128 H C -2.044 173.293 175.328 0.015 0.000 1.093 128 H CA -1.778 54.277 56.048 0.011 0.000 1.453 128 H CB 1.745 31.512 29.762 0.008 0.000 1.462 128 H HN 0.326 nan 8.280 nan 0.000 0.480 129 P HA -0.242 nan 4.420 nan 0.000 0.217 129 P C 1.460 178.862 177.300 0.171 0.000 1.158 129 P CA 1.512 64.645 63.100 0.054 0.000 0.887 129 P CB 0.402 32.080 31.700 -0.036 0.000 0.792 130 N N -1.372 117.540 118.700 0.352 0.000 2.258 130 N HA -0.099 4.641 4.740 0.000 0.000 0.183 130 N C 1.222 176.818 175.510 0.143 0.000 1.029 130 N CA 1.002 54.205 53.050 0.255 0.000 0.857 130 N CB -0.216 38.419 38.487 0.248 0.000 1.008 130 N HN -0.075 nan 8.380 nan 0.000 0.433 131 D N 0.810 121.240 120.400 0.050 0.000 2.178 131 D HA -0.104 4.536 4.640 0.000 0.000 0.201 131 D C 0.918 177.203 176.300 -0.025 0.000 0.980 131 D CA 1.135 55.036 54.000 -0.165 0.000 0.842 131 D CB -0.049 40.469 40.800 -0.470 0.000 0.948 131 D HN 0.390 nan 8.370 nan 0.000 0.472 132 D N -0.618 119.821 120.400 0.065 0.000 2.840 132 D HA 0.020 4.661 4.640 0.000 0.000 0.277 132 D C 2.307 178.647 176.300 0.067 0.000 1.066 132 D CA 0.216 54.252 54.000 0.059 0.000 0.979 132 D CB -0.137 40.709 40.800 0.076 0.000 1.157 132 D HN -0.003 nan 8.370 nan 0.000 0.466 133 V N 1.313 121.279 119.914 0.087 0.000 2.626 133 V HA -0.138 3.982 4.120 0.000 0.000 0.252 133 V C 1.504 177.648 176.094 0.084 0.000 1.067 133 V CA 1.372 63.722 62.300 0.083 0.000 1.081 133 V CB -0.548 31.324 31.823 0.082 0.000 0.686 133 V HN 0.074 nan 8.190 nan 0.000 0.468 134 N N -0.611 118.135 118.700 0.077 0.000 2.235 134 N HA 0.188 4.929 4.740 0.000 0.000 0.209 134 N C 0.468 175.990 175.510 0.021 0.000 1.122 134 N CA -0.111 52.976 53.050 0.063 0.000 0.845 134 N CB 0.014 38.541 38.487 0.067 0.000 1.004 134 N HN 0.440 nan 8.380 nan 0.000 0.499 135 M N 0.420 120.026 119.600 0.009 0.000 2.252 135 M HA -0.033 4.447 4.480 0.000 0.000 0.348 135 M C 0.136 176.348 176.300 -0.146 0.000 1.334 135 M CA 0.819 56.089 55.300 -0.051 0.000 1.071 135 M CB 0.208 32.790 32.600 -0.030 0.000 1.763 135 M HN 0.270 nan 8.290 nan 0.000 0.452 136 S N 1.126 116.674 115.700 -0.252 0.000 2.929 136 S HA -0.203 4.267 4.470 0.000 0.000 0.271 136 S C -0.463 173.882 174.600 -0.425 0.000 1.295 136 S CA 1.394 59.280 58.200 -0.523 0.000 1.277 136 S CB -1.391 61.106 63.200 -1.171 0.000 1.557 136 S HN 0.913 nan 8.310 nan 0.000 0.666 137 Q N 0.364 120.067 119.800 -0.162 0.000 2.348 137 Q HA 0.747 5.087 4.340 0.000 0.000 0.271 137 Q C -0.311 175.682 176.000 -0.011 0.000 1.067 137 Q CA -0.345 55.441 55.803 -0.030 0.000 0.839 137 Q CB 2.108 30.885 28.738 0.065 0.000 1.354 137 Q HN 0.202 nan 8.270 nan 0.000 0.447 138 S N -0.248 115.462 115.700 0.017 0.000 2.664 138 S HA 0.291 4.761 4.470 0.000 0.000 0.304 138 S C 0.627 175.260 174.600 0.055 0.000 1.099 138 S CA -0.488 57.728 58.200 0.026 0.000 1.003 138 S CB 1.741 64.952 63.200 0.018 0.000 1.092 138 S HN 0.616 nan 8.310 nan 0.000 0.525 139 S N 1.664 117.397 115.700 0.055 0.000 2.402 139 S HA -0.059 4.411 4.470 0.000 0.000 0.229 139 S C 1.408 176.063 174.600 0.092 0.000 1.021 139 S CA 1.234 59.479 58.200 0.075 0.000 0.974 139 S CB -0.668 62.559 63.200 0.045 0.000 0.800 139 S HN 0.747 nan 8.310 nan 0.000 0.484 140 N N 1.966 120.707 118.700 0.068 0.000 2.459 140 N HA -0.060 4.680 4.740 0.000 0.000 0.181 140 N C 1.063 176.621 175.510 0.079 0.000 1.046 140 N CA 1.325 54.419 53.050 0.073 0.000 0.904 140 N CB -0.260 38.260 38.487 0.055 0.000 0.964 140 N HN 0.710 nan 8.380 nan 0.000 0.444 141 D N -1.716 118.726 120.400 0.071 0.000 2.423 141 D HA 0.071 4.711 4.640 0.000 0.000 0.212 141 D C 1.440 177.785 176.300 0.076 0.000 1.060 141 D CA 0.396 54.430 54.000 0.057 0.000 0.872 141 D CB -0.590 40.230 40.800 0.033 0.000 1.012 141 D HN -0.148 nan 8.370 nan 0.000 0.503 142 T N 0.069 114.688 114.554 0.107 0.000 2.698 142 T HA -0.021 4.329 4.350 0.000 0.000 0.260 142 T C 1.324 176.105 174.700 0.134 0.000 1.044 142 T CA 0.902 63.073 62.100 0.119 0.000 1.149 142 T CB -0.475 68.475 68.868 0.136 0.000 0.864 142 T HN 0.089 nan 8.240 nan 0.000 0.419 143 F N 3.163 123.136 119.950 0.038 0.000 2.102 143 F HA -0.014 4.513 4.527 0.000 0.000 0.298 143 F C -0.798 175.033 175.800 0.053 0.000 1.105 143 F CA 0.875 58.897 58.000 0.036 0.000 1.239 143 F CB -0.900 38.114 39.000 0.024 0.000 0.991 143 F HN 0.176 nan 8.300 nan 0.000 0.474 144 P HA -0.121 nan 4.420 nan 0.000 0.218 144 P C 1.553 178.894 177.300 0.068 0.000 1.149 144 P CA 1.891 65.065 63.100 0.123 0.000 0.817 144 P CB -0.343 31.435 31.700 0.130 0.000 0.785 145 T N 0.231 114.788 114.554 0.006 0.000 2.737 145 T HA -0.064 4.287 4.350 0.000 0.000 0.265 145 T C 2.062 176.739 174.700 -0.037 0.000 1.038 145 T CA 1.696 63.785 62.100 -0.019 0.000 1.144 145 T CB -0.851 68.007 68.868 -0.016 0.000 0.866 145 T HN 0.070 nan 8.240 nan 0.000 0.434 146 A N 1.266 124.022 122.820 -0.107 0.000 1.940 146 A HA -0.162 4.158 4.320 0.000 0.000 0.219 146 A C 2.527 179.987 177.584 -0.208 0.000 1.176 146 A CA 2.203 54.135 52.037 -0.176 0.000 0.631 146 A CB -1.253 17.590 19.000 -0.262 0.000 0.814 146 A HN 0.488 nan 8.150 nan 0.000 0.446 147 T N -0.942 113.465 114.554 -0.246 0.000 2.737 147 T HA -0.121 4.229 4.350 0.000 0.000 0.265 147 T C 1.753 176.384 174.700 -0.115 0.000 1.038 147 T CA 1.418 63.392 62.100 -0.210 0.000 1.144 147 T CB -0.486 68.273 68.868 -0.180 0.000 0.866 147 T HN 0.663 nan 8.240 nan 0.000 0.434 148 H N 0.206 119.214 119.070 -0.103 0.000 2.457 148 H HA 0.114 4.670 4.556 0.000 0.000 0.294 148 H C 2.234 177.510 175.328 -0.087 0.000 1.064 148 H CA 0.835 56.842 56.048 -0.068 0.000 1.330 148 H CB -0.057 29.680 29.762 -0.042 0.000 1.395 148 H HN 0.336 nan 8.280 nan 0.000 0.541 149 I N 0.584 121.159 120.570 0.008 0.000 2.286 149 I HA -0.185 3.985 4.170 0.000 0.000 0.245 149 I C 2.815 178.878 176.117 -0.090 0.000 1.104 149 I CA 0.821 62.095 61.300 -0.044 0.000 1.397 149 I CB -0.174 37.793 38.000 -0.054 0.000 1.072 149 I HN 0.151 nan 8.210 nan 0.000 0.417 150 A N 0.679 123.430 122.820 -0.116 0.000 1.898 150 A HA -0.105 4.215 4.320 0.000 0.000 0.216 150 A C 2.504 179.966 177.584 -0.203 0.000 1.181 150 A CA 1.743 53.695 52.037 -0.143 0.000 0.620 150 A CB -0.744 18.168 19.000 -0.147 0.000 0.819 150 A HN 0.415 nan 8.150 nan 0.000 0.442 151 A N -1.194 121.500 122.820 -0.211 0.000 1.929 151 A HA -0.015 4.305 4.320 0.000 0.000 0.216 151 A C 2.273 179.589 177.584 -0.446 0.000 1.176 151 A CA 2.101 53.940 52.037 -0.330 0.000 0.628 151 A CB -1.047 17.868 19.000 -0.142 0.000 0.816 151 A HN 0.408 nan 8.150 nan 0.000 0.444 152 T N -0.584 113.831 114.554 -0.231 0.000 2.777 152 T HA -0.119 4.231 4.350 0.000 0.000 0.266 152 T C 1.865 176.448 174.700 -0.196 0.000 1.040 152 T CA 1.485 63.480 62.100 -0.174 0.000 1.141 152 T CB -0.161 68.662 68.868 -0.075 0.000 0.868 152 T HN 0.693 nan 8.240 nan 0.000 0.444 153 E N 0.856 120.953 120.200 -0.170 0.000 2.077 153 E HA -0.110 4.240 4.350 0.000 0.000 0.193 153 E C 2.394 178.921 176.600 -0.121 0.000 0.989 153 E CA 0.984 57.311 56.400 -0.121 0.000 0.800 153 E CB -0.200 29.458 29.700 -0.070 0.000 0.746 153 E HN 0.454 nan 8.360 nan 0.000 0.452 154 A N 1.061 123.733 122.820 -0.248 0.000 1.933 154 A HA -0.133 4.187 4.320 0.000 0.000 0.218 154 A C 2.351 179.709 177.584 -0.377 0.000 1.175 154 A CA 1.854 53.715 52.037 -0.294 0.000 0.628 154 A CB -0.718 17.948 19.000 -0.556 0.000 0.814 154 A HN 0.417 nan 8.150 nan 0.000 0.444 155 A N -0.911 121.540 122.820 -0.615 0.000 1.898 155 A HA 0.075 4.396 4.320 0.000 0.000 0.216 155 A C 2.197 179.735 177.584 -0.076 0.000 1.181 155 A CA 1.786 53.675 52.037 -0.247 0.000 0.620 155 A CB -0.672 18.233 19.000 -0.157 0.000 0.819 155 A HN 0.380 nan 8.150 nan 0.000 0.442 156 V N -0.998 118.849 119.914 -0.113 0.000 2.599 156 V HA 0.025 4.145 4.120 0.000 0.000 0.245 156 V C 2.691 178.713 176.094 -0.120 0.000 1.046 156 V CA 1.578 63.827 62.300 -0.085 0.000 1.065 156 V CB -0.406 31.367 31.823 -0.083 0.000 0.703 156 V HN 0.559 nan 8.190 nan 0.000 0.464 157 A N -2.265 120.439 122.820 -0.193 0.000 2.195 157 A HA 0.075 4.395 4.320 0.000 0.000 0.210 157 A C 1.819 179.050 177.584 -0.589 0.000 1.165 157 A CA 0.611 52.417 52.037 -0.385 0.000 0.806 157 A CB -0.180 18.531 19.000 -0.482 0.000 0.847 157 A HN 0.643 nan 8.150 nan 0.000 0.482 158 H N -2.602 116.446 119.070 -0.037 0.000 1.955 158 H HA 0.125 4.681 4.556 0.000 0.000 0.196 158 H C 1.711 177.057 175.328 0.029 0.000 0.891 158 H CA 0.784 56.827 56.048 -0.008 0.000 1.001 158 H CB -0.455 29.296 29.762 -0.017 0.000 1.195 158 H HN 0.332 nan 8.280 nan 0.000 0.384 159 L N 1.678 123.010 121.223 0.181 0.000 1.988 159 L HA 0.004 4.344 4.340 0.000 0.000 0.207 159 L C 2.244 179.185 176.870 0.118 0.000 1.071 159 L CA 1.361 56.311 54.840 0.184 0.000 0.744 159 L CB -0.902 41.340 42.059 0.304 0.000 0.893 159 L HN 0.141 nan 8.230 nan 0.000 0.433 160 I N -0.041 120.579 120.570 0.085 0.000 2.118 160 I HA -0.265 3.906 4.170 0.000 0.000 0.241 160 I C -0.342 175.794 176.117 0.031 0.000 1.070 160 I CA 1.653 62.982 61.300 0.048 0.000 1.327 160 I CB -1.522 36.491 38.000 0.022 0.000 1.034 160 I HN 0.275 nan 8.210 nan 0.000 0.405 161 P HA -0.175 nan 4.420 nan 0.000 0.216 161 P C 1.443 178.767 177.300 0.041 0.000 1.150 161 P CA 1.857 64.964 63.100 0.012 0.000 0.837 161 P CB -0.050 31.642 31.700 -0.013 0.000 0.786 162 A N -0.524 122.335 122.820 0.065 0.000 1.877 162 A HA -0.171 4.149 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 1.477 53.562 52.037 0.080 0.000 0.620 162 A CB -1.656 17.403 19.000 0.099 0.000 0.822 162 A HN 0.108 nan 8.150 nan 0.000 0.443 163 L N -1.156 120.118 121.223 0.085 0.000 2.046 163 L HA -0.232 4.109 4.340 0.000 0.000 0.208 163 L C 2.866 179.794 176.870 0.097 0.000 1.077 163 L CA 1.720 56.615 54.840 0.093 0.000 0.747 163 L CB -0.541 41.567 42.059 0.082 0.000 0.896 163 L HN 0.464 nan 8.230 nan 0.000 0.432 164 Q N 0.413 120.251 119.800 0.062 0.000 2.096 164 Q HA -0.284 4.057 4.340 0.000 0.000 0.204 164 Q C 2.148 178.207 176.000 0.099 0.000 0.982 164 Q CA 1.898 57.732 55.803 0.050 0.000 0.850 164 Q CB -0.223 28.518 28.738 0.005 0.000 0.901 164 Q HN 0.446 nan 8.270 nan 0.000 0.422 165 Q N -0.906 118.939 119.800 0.075 0.000 2.124 165 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 165 Q C 1.893 177.935 176.000 0.069 0.000 0.977 165 Q CA 1.421 57.263 55.803 0.065 0.000 0.850 165 Q CB -0.194 28.574 28.738 0.049 0.000 0.901 165 Q HN 0.465 nan 8.270 nan 0.000 0.429 166 L N 0.557 121.832 121.223 0.087 0.000 2.093 166 L HA -0.184 4.156 4.340 0.000 0.000 0.208 166 L C 2.423 179.341 176.870 0.080 0.000 1.085 166 L CA 2.059 56.942 54.840 0.071 0.000 0.755 166 L CB -0.864 41.261 42.059 0.108 0.000 0.904 166 L HN 0.416 nan 8.230 nan 0.000 0.435 167 H N -0.318 118.772 119.070 0.033 0.000 2.293 167 H HA -0.173 4.383 4.556 0.000 0.000 0.300 167 H C 1.560 176.900 175.328 0.020 0.000 1.082 167 H CA 2.135 58.204 56.048 0.036 0.000 1.308 167 H CB -0.075 29.707 29.762 0.034 0.000 1.375 167 H HN 0.372 nan 8.280 nan 0.000 0.495 168 D N 0.823 121.314 120.400 0.151 0.000 2.123 168 D HA -0.121 4.519 4.640 0.000 0.000 0.196 168 D C 2.293 178.554 176.300 -0.064 0.000 0.992 168 D CA 1.507 55.541 54.000 0.057 0.000 0.833 168 D CB -0.635 40.215 40.800 0.083 0.000 0.954 168 D HN 0.518 nan 8.370 nan 0.000 0.455 169 A N 0.208 122.995 122.820 -0.056 0.000 1.969 169 A HA -0.079 4.242 4.320 0.000 0.000 0.218 169 A C 2.331 179.847 177.584 -0.113 0.000 1.169 169 A CA 0.836 52.817 52.037 -0.094 0.000 0.635 169 A CB -0.583 18.363 19.000 -0.090 0.000 0.810 169 A HN 0.215 nan 8.150 nan 0.000 0.445 170 L N -1.200 119.975 121.223 -0.079 0.000 2.179 170 L HA -0.023 4.317 4.340 0.000 0.000 0.208 170 L C 2.968 179.809 176.870 -0.048 0.000 1.096 170 L CA 0.782 55.639 54.840 0.027 0.000 0.779 170 L CB -0.391 41.715 42.059 0.079 0.000 0.922 170 L HN 0.379 nan 8.230 nan 0.000 0.443 171 A N 0.203 122.901 122.820 -0.203 0.000 1.930 171 A HA -0.088 4.233 4.320 0.000 0.000 0.217 171 A C 2.540 180.036 177.584 -0.147 0.000 1.175 171 A CA 1.489 53.407 52.037 -0.198 0.000 0.627 171 A CB -0.576 18.250 19.000 -0.289 0.000 0.815 171 A HN 0.354 nan 8.150 nan 0.000 0.443 172 A N 0.001 122.723 122.820 -0.163 0.000 1.877 172 A HA -0.155 4.165 4.320 0.000 0.000 0.216 172 A C 2.089 179.494 177.584 -0.299 0.000 1.186 172 A CA 1.796 53.719 52.037 -0.190 0.000 0.620 172 A CB -0.370 18.523 19.000 -0.178 0.000 0.822 172 A HN 0.333 nan 8.150 nan 0.000 0.443 173 K N -0.043 120.109 120.400 -0.414 0.000 2.063 173 K HA -0.083 4.237 4.320 0.000 0.000 0.208 173 K C 2.236 178.552 176.600 -0.473 0.000 1.048 173 K CA 1.337 57.155 56.287 -0.781 0.000 0.928 173 K CB -0.896 30.951 32.500 -1.088 0.000 0.713 173 K HN 0.466 nan 8.250 nan 0.000 0.442 174 A N 1.236 123.962 122.820 -0.158 0.000 1.978 174 A HA -0.146 4.175 4.320 0.000 0.000 0.220 174 A C 2.321 179.918 177.584 0.021 0.000 1.170 174 A CA 1.322 53.373 52.037 0.023 0.000 0.636 174 A CB -0.516 18.515 19.000 0.051 0.000 0.810 174 A HN 0.192 nan 8.150 nan 0.000 0.448 175 L N -0.979 120.204 121.223 -0.068 0.000 2.102 175 L HA -0.088 4.252 4.340 0.000 0.000 0.202 175 L C 1.980 178.837 176.870 -0.021 0.000 1.076 175 L CA 1.102 55.908 54.840 -0.056 0.000 0.761 175 L CB -0.457 41.546 42.059 -0.094 0.000 0.921 175 L HN 0.270 nan 8.230 nan 0.000 0.444 176 D N -0.732 119.589 120.400 -0.132 0.000 2.182 176 D HA -0.205 4.435 4.640 0.000 0.000 0.201 176 D C 1.401 177.790 176.300 0.149 0.000 0.986 176 D CA 1.182 55.119 54.000 -0.105 0.000 0.847 176 D CB -0.049 40.541 40.800 -0.351 0.000 0.942 176 D HN 0.368 nan 8.370 nan 0.000 0.467 177 W N 0.216 121.494 121.300 -0.036 0.000 3.123 177 W HA 0.139 4.799 4.660 0.000 0.000 0.383 177 W C 1.574 178.108 176.519 0.024 0.000 1.102 177 W CA -1.012 56.310 57.345 -0.037 0.000 1.865 177 W CB -1.130 28.258 29.460 -0.120 0.000 1.111 177 W HN 0.149 nan 8.180 nan 0.000 0.621 178 H N 1.130 120.290 119.070 0.151 0.000 2.362 178 H HA -0.223 4.333 4.556 0.000 0.000 0.294 178 H C 2.011 177.380 175.328 0.068 0.000 1.113 178 H CA 2.922 59.021 56.048 0.086 0.000 1.253 178 H CB -0.010 29.781 29.762 0.049 0.000 1.363 178 H HN -0.007 nan 8.280 nan 0.000 0.494 179 T N -2.623 111.937 114.554 0.010 0.000 3.092 179 T HA 0.237 4.587 4.350 0.000 0.000 0.258 179 T C 0.259 174.930 174.700 -0.047 0.000 1.031 179 T CA 0.067 62.120 62.100 -0.079 0.000 0.925 179 T CB -0.328 68.525 68.868 -0.025 0.000 1.036 179 T HN 0.014 nan 8.240 nan 0.000 0.544 180 V N 2.940 122.839 119.914 -0.024 0.000 2.302 180 V HA 0.232 4.352 4.120 0.000 0.000 0.244 180 V C 0.810 176.850 176.094 -0.090 0.000 1.160 180 V CA -0.634 61.614 62.300 -0.085 0.000 1.127 180 V CB -0.247 31.459 31.823 -0.194 0.000 1.253 180 V HN 0.464 nan 8.190 nan 0.000 0.496 181 V N 6.756 126.621 119.914 -0.081 0.000 2.811 181 V HA 0.501 4.622 4.120 0.000 0.000 0.302 181 V C 0.238 176.285 176.094 -0.078 0.000 1.063 181 V CA 0.040 62.297 62.300 -0.073 0.000 1.088 181 V CB 1.243 33.026 31.823 -0.066 0.000 0.982 181 V HN 1.038 nan 8.190 nan 0.000 0.485 182 K N 3.081 123.442 120.400 -0.065 0.000 2.578 182 K HA 0.509 4.829 4.320 0.000 0.000 0.287 182 K C -1.041 175.529 176.600 -0.051 0.000 1.010 182 K CA -0.676 55.571 56.287 -0.067 0.000 0.889 182 K CB 1.513 33.978 32.500 -0.059 0.000 1.514 182 K HN 0.409 nan 8.250 nan 0.000 0.424 183 S N -0.044 115.624 115.700 -0.053 0.000 2.528 183 S HA 0.374 4.844 4.470 0.000 0.000 0.277 183 S C 0.212 174.798 174.600 -0.023 0.000 1.297 183 S CA -0.099 58.078 58.200 -0.038 0.000 1.052 183 S CB 0.169 63.344 63.200 -0.042 0.000 0.917 183 S HN 0.670 nan 8.310 nan 0.000 0.492 184 G N 3.430 112.219 108.800 -0.018 0.000 2.572 184 G HA2 0.475 4.435 3.960 0.000 0.000 0.261 184 G HA3 0.475 4.435 3.960 0.000 0.000 0.261 184 G C -0.695 174.198 174.900 -0.012 0.000 1.197 184 G CA -0.606 44.487 45.100 -0.012 0.000 0.870 184 G HN 0.723 nan 8.290 nan 0.000 0.548 185 R N -0.358 120.134 120.500 -0.014 0.000 2.561 185 R HA 0.580 4.920 4.340 0.000 0.000 0.297 185 R C -0.704 175.575 176.300 -0.034 0.000 0.969 185 R CA -0.642 55.446 56.100 -0.021 0.000 0.879 185 R CB 2.227 32.508 30.300 -0.032 0.000 1.178 185 R HN 0.716 nan 8.270 nan 0.000 0.445 186 T N -1.425 113.116 114.554 -0.022 0.000 2.893 186 T HA 0.256 4.606 4.350 0.000 0.000 0.293 186 T C 0.208 174.903 174.700 -0.007 0.000 1.027 186 T CA -0.799 61.253 62.100 -0.080 0.000 0.988 186 T CB 1.087 69.916 68.868 -0.065 0.000 1.043 186 T HN 0.839 nan 8.240 nan 0.000 0.461 187 H N 2.077 121.124 119.070 -0.040 0.000 2.884 187 H HA -0.167 4.389 4.556 0.000 0.000 0.289 187 H C 1.023 176.311 175.328 -0.067 0.000 1.142 187 H CA 0.914 56.933 56.048 -0.047 0.000 1.158 187 H CB -1.628 28.112 29.762 -0.036 0.000 1.325 187 H HN 0.871 nan 8.280 nan 0.000 0.366 188 L N -4.017 117.198 121.223 -0.013 0.000 4.884 188 L HA -0.275 4.065 4.340 0.000 0.000 0.430 188 L C 0.335 177.186 176.870 -0.031 0.000 1.087 188 L CA 1.025 55.827 54.840 -0.064 0.000 1.033 188 L CB -1.039 40.954 42.059 -0.110 0.000 2.030 188 L HN 0.142 nan 8.230 nan 0.000 0.762 189 M N -0.261 119.348 119.600 0.016 0.000 2.528 189 M HA 0.407 4.887 4.480 0.000 0.000 0.318 189 M C 0.351 176.656 176.300 0.008 0.000 1.195 189 M CA -0.581 54.727 55.300 0.012 0.000 1.000 189 M CB 0.580 33.195 32.600 0.025 0.000 1.615 189 M HN -0.122 nan 8.290 nan 0.000 0.469 190 D N 1.536 121.936 120.400 0.000 0.000 2.525 190 D HA 0.355 4.995 4.640 0.000 0.000 0.235 190 D C -0.190 176.113 176.300 0.006 0.000 1.137 190 D CA 0.526 54.525 54.000 -0.003 0.000 0.868 190 D CB 0.533 41.329 40.800 -0.006 0.000 1.180 190 D HN 0.665 nan 8.370 nan 0.000 0.465 191 A N 1.506 124.327 122.820 0.001 0.000 2.507 191 A HA 0.660 4.980 4.320 0.000 0.000 0.284 191 A C -0.118 177.464 177.584 -0.003 0.000 1.281 191 A CA -0.651 51.389 52.037 0.005 0.000 0.744 191 A CB 0.481 19.486 19.000 0.007 0.000 1.332 191 A HN 0.402 nan 8.150 nan 0.000 0.454 192 V N -2.153 117.760 119.914 -0.002 0.000 3.237 192 V HA 0.414 4.534 4.120 0.000 0.000 0.305 192 V C -2.591 173.495 176.094 -0.014 0.000 1.096 192 V CA -1.345 60.951 62.300 -0.007 0.000 1.130 192 V CB -0.659 31.162 31.823 -0.004 0.000 1.048 192 V HN 0.621 nan 8.190 nan 0.000 0.484 193 P HA 0.372 nan 4.420 nan 0.000 0.271 193 P C -0.366 176.918 177.300 -0.025 0.000 1.216 193 P CA 0.095 63.180 63.100 -0.026 0.000 0.771 193 P CB 0.896 32.577 31.700 -0.031 0.000 0.864 194 V N -0.128 119.771 119.914 -0.026 0.000 3.164 194 V HA 0.872 4.993 4.120 0.000 0.000 0.313 194 V C -0.128 175.949 176.094 -0.028 0.000 1.188 194 V CA -0.841 61.445 62.300 -0.024 0.000 1.058 194 V CB 1.618 33.432 31.823 -0.015 0.000 1.110 194 V HN 0.588 nan 8.190 nan 0.000 0.453 195 T N -1.123 113.417 114.554 -0.023 0.000 2.945 195 T HA 0.532 4.882 4.350 0.000 0.000 0.286 195 T C 0.621 175.347 174.700 0.043 0.000 1.025 195 T CA -0.368 61.723 62.100 -0.015 0.000 1.039 195 T CB 1.567 70.408 68.868 -0.046 0.000 1.068 195 T HN 0.735 nan 8.240 nan 0.000 0.497 196 L N 2.256 123.513 121.223 0.057 0.000 2.141 196 L HA 0.213 4.553 4.340 0.000 0.000 0.209 196 L C 2.531 179.603 176.870 0.336 0.000 1.094 196 L CA 2.261 57.203 54.840 0.170 0.000 0.763 196 L CB -1.317 40.733 42.059 -0.016 0.000 0.908 196 L HN 1.030 nan 8.230 nan 0.000 0.437 197 G N -1.596 107.363 108.800 0.265 0.000 2.422 197 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 197 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 197 G C 1.477 176.496 174.900 0.198 0.000 1.146 197 G CA 0.714 45.976 45.100 0.270 0.000 0.769 197 G HN 0.484 nan 8.290 nan 0.000 0.547 198 Q N -0.046 119.826 119.800 0.121 0.000 2.084 198 Q HA -0.066 4.275 4.340 0.000 0.000 0.202 198 Q C 2.507 178.492 176.000 -0.024 0.000 0.978 198 Q CA 1.307 57.141 55.803 0.052 0.000 0.844 198 Q CB -0.099 28.651 28.738 0.019 0.000 0.898 198 Q HN 0.595 nan 8.270 nan 0.000 0.426 199 E N -0.125 120.054 120.200 -0.034 0.000 2.110 199 E HA -0.163 4.187 4.350 0.000 0.000 0.193 199 E C 1.575 177.749 176.600 -0.711 0.000 0.988 199 E CA 0.859 57.074 56.400 -0.310 0.000 0.804 199 E CB -0.063 29.527 29.700 -0.184 0.000 0.745 199 E HN 0.320 nan 8.360 nan 0.000 0.458 200 F N 0.781 120.523 119.950 -0.347 0.000 2.325 200 F HA -0.131 4.396 4.527 0.000 0.000 0.299 200 F C 2.748 178.455 175.800 -0.155 0.000 1.090 200 F CA 1.043 58.911 58.000 -0.219 0.000 1.392 200 F CB 0.013 39.044 39.000 0.051 0.000 1.053 200 F HN 0.018 nan 8.300 nan 0.000 0.521 201 S N -0.496 115.212 115.700 0.013 0.000 2.406 201 S HA -0.049 4.421 4.470 0.000 0.000 0.228 201 S C 2.334 176.904 174.600 -0.048 0.000 1.020 201 S CA 0.945 59.144 58.200 -0.003 0.000 0.965 201 S CB -1.097 62.116 63.200 0.022 0.000 0.798 201 S HN 0.321 nan 8.310 nan 0.000 0.488 202 G N 0.603 109.311 108.800 -0.154 0.000 2.404 202 G HA2 -0.096 3.865 3.960 0.000 0.000 0.215 202 G HA3 -0.096 3.865 3.960 0.000 0.000 0.215 202 G C 1.216 176.090 174.900 -0.044 0.000 1.174 202 G CA 0.875 45.892 45.100 -0.139 0.000 0.780 202 G HN 0.560 nan 8.290 nan 0.000 0.537 203 Y N 1.452 121.713 120.300 -0.065 0.000 2.181 203 Y HA 0.043 4.593 4.550 0.000 0.000 0.288 203 Y C 3.129 179.016 175.900 -0.020 0.000 1.146 203 Y CA 0.103 58.155 58.100 -0.078 0.000 1.164 203 Y CB -1.231 37.106 38.460 -0.205 0.000 0.982 203 Y HN 0.265 nan 8.280 nan 0.000 0.515 204 A N 0.420 123.305 122.820 0.109 0.000 1.883 204 A HA -0.255 4.065 4.320 0.000 0.000 0.217 204 A C 2.342 180.008 177.584 0.137 0.000 1.186 204 A CA 2.166 54.224 52.037 0.035 0.000 0.624 204 A CB -0.673 18.254 19.000 -0.122 0.000 0.822 204 A HN 0.343 nan 8.150 nan 0.000 0.444 205 R N 0.012 120.577 120.500 0.109 0.000 2.120 205 R HA -0.105 4.236 4.340 0.000 0.000 0.234 205 R C 2.116 178.485 176.300 0.116 0.000 1.123 205 R CA 2.014 58.187 56.100 0.120 0.000 0.975 205 R CB -0.652 29.691 30.300 0.073 0.000 0.866 205 R HN 0.686 nan 8.270 nan 0.000 0.446 206 Q N -0.381 119.488 119.800 0.115 0.000 2.084 206 Q HA -0.102 4.239 4.340 0.000 0.000 0.202 206 Q C 1.745 177.808 176.000 0.105 0.000 0.978 206 Q CA 1.364 57.228 55.803 0.102 0.000 0.844 206 Q CB -0.031 28.775 28.738 0.112 0.000 0.898 206 Q HN 0.325 nan 8.270 nan 0.000 0.426 207 I N 0.550 121.202 120.570 0.137 0.000 2.286 207 I HA -0.192 3.979 4.170 0.000 0.000 0.245 207 I C 2.252 178.447 176.117 0.130 0.000 1.104 207 I CA 1.212 62.597 61.300 0.140 0.000 1.397 207 I CB -1.054 37.050 38.000 0.174 0.000 1.072 207 I HN 0.213 nan 8.210 nan 0.000 0.417 208 E N 1.631 121.935 120.200 0.173 0.000 2.118 208 E HA -0.168 4.183 4.350 0.000 0.000 0.195 208 E C 2.189 178.813 176.600 0.040 0.000 0.992 208 E CA 1.715 58.158 56.400 0.072 0.000 0.804 208 E CB -0.134 29.622 29.700 0.092 0.000 0.741 208 E HN 0.390 nan 8.360 nan 0.000 0.458 209 A N -0.037 122.818 122.820 0.058 0.000 1.968 209 A HA 0.046 4.367 4.320 0.000 0.000 0.217 209 A C 2.403 180.008 177.584 0.035 0.000 1.169 209 A CA 1.423 53.484 52.037 0.040 0.000 0.638 209 A CB -1.102 17.923 19.000 0.042 0.000 0.812 209 A HN 0.403 nan 8.150 nan 0.000 0.446 210 G N 0.377 109.204 108.800 0.045 0.000 2.446 210 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 210 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 210 G C 1.515 176.437 174.900 0.036 0.000 1.168 210 G CA 1.177 46.301 45.100 0.040 0.000 0.771 210 G HN 0.473 nan 8.290 nan 0.000 0.551 211 I N 0.624 121.214 120.570 0.032 0.000 2.208 211 I HA -0.175 3.995 4.170 0.000 0.000 0.245 211 I C 2.783 178.910 176.117 0.016 0.000 1.097 211 I CA 1.385 62.698 61.300 0.021 0.000 1.363 211 I CB -0.304 37.691 38.000 -0.008 0.000 1.051 211 I HN 0.278 nan 8.210 nan 0.000 0.413 212 E N 0.781 120.987 120.200 0.010 0.000 2.110 212 E HA -0.241 4.110 4.350 0.000 0.000 0.193 212 E C 2.205 178.815 176.600 0.017 0.000 0.988 212 E CA 1.226 57.631 56.400 0.009 0.000 0.804 212 E CB -0.127 29.578 29.700 0.008 0.000 0.745 212 E HN 0.592 nan 8.360 nan 0.000 0.458 213 R N 0.380 120.893 120.500 0.022 0.000 2.153 213 R HA 0.022 4.362 4.340 0.000 0.000 0.218 213 R C 2.148 178.467 176.300 0.032 0.000 1.072 213 R CA 0.705 56.819 56.100 0.023 0.000 0.990 213 R CB -0.383 29.928 30.300 0.019 0.000 0.889 213 R HN -0.024 nan 8.270 nan 0.000 0.452 214 V N 1.831 121.770 119.914 0.042 0.000 2.307 214 V HA -0.149 3.971 4.120 0.000 0.000 0.245 214 V C 2.447 178.576 176.094 0.059 0.000 1.045 214 V CA 1.680 64.021 62.300 0.068 0.000 1.024 214 V CB -0.527 31.353 31.823 0.096 0.000 0.651 214 V HN 0.304 nan 8.190 nan 0.000 0.449 215 R N 0.345 120.868 120.500 0.038 0.000 2.120 215 R HA -0.098 4.242 4.340 0.000 0.000 0.234 215 R C 2.297 178.612 176.300 0.024 0.000 1.123 215 R CA 1.379 57.494 56.100 0.025 0.000 0.975 215 R CB -0.544 29.763 30.300 0.011 0.000 0.866 215 R HN 0.528 nan 8.270 nan 0.000 0.446 216 A N 0.784 123.619 122.820 0.024 0.000 2.121 216 A HA -0.135 4.185 4.320 0.000 0.000 0.218 216 A C 2.311 179.912 177.584 0.028 0.000 1.154 216 A CA 1.318 53.368 52.037 0.022 0.000 0.679 216 A CB -0.540 18.471 19.000 0.019 0.000 0.795 216 A HN 0.660 nan 8.150 nan 0.000 0.458 217 C N -2.392 116.931 119.300 0.038 0.000 2.912 217 C HA 0.421 4.881 4.460 0.000 0.000 0.274 217 C C 2.171 177.193 174.990 0.052 0.000 1.248 217 C CA 0.087 59.133 59.018 0.047 0.000 1.694 217 C CB -1.427 26.346 27.740 0.055 0.000 2.024 217 C HN 0.443 nan 8.230 nan 0.000 0.605 218 L N 1.588 122.838 121.223 0.045 0.000 2.043 218 L HA -0.060 4.280 4.340 0.000 0.000 0.212 218 L C -0.117 176.773 176.870 0.033 0.000 1.075 218 L CA 1.843 56.706 54.840 0.037 0.000 0.752 218 L CB -1.913 40.158 42.059 0.021 0.000 0.891 218 L HN 0.200 nan 8.230 nan 0.000 0.432 219 P HA -0.181 nan 4.420 nan 0.000 0.217 219 P C 1.366 178.684 177.300 0.031 0.000 1.148 219 P CA 1.589 64.702 63.100 0.022 0.000 0.834 219 P CB 0.013 31.724 31.700 0.018 0.000 0.783 220 R N -2.154 118.374 120.500 0.045 0.000 2.225 220 R HA 0.165 4.505 4.340 0.000 0.000 0.194 220 R C 1.987 178.352 176.300 0.108 0.000 0.957 220 R CA -0.075 56.061 56.100 0.061 0.000 1.042 220 R CB -0.767 29.568 30.300 0.058 0.000 1.004 220 R HN 0.089 nan 8.270 nan 0.000 0.509 221 L N 0.193 121.482 121.223 0.110 0.000 2.201 221 L HA 0.063 4.403 4.340 0.000 0.000 0.212 221 L C 1.620 178.610 176.870 0.200 0.000 1.105 221 L CA 1.766 56.698 54.840 0.154 0.000 0.775 221 L CB -0.390 41.724 42.059 0.091 0.000 0.913 221 L HN 0.162 nan 8.230 nan 0.000 0.440 222 G N -0.719 108.142 108.800 0.103 0.000 3.042 222 G HA2 -0.003 3.957 3.960 0.000 0.000 0.212 222 G HA3 -0.003 3.957 3.960 0.000 0.000 0.212 222 G C 0.311 175.231 174.900 0.033 0.000 1.166 222 G CA 0.134 45.272 45.100 0.064 0.000 0.767 222 G HN 0.590 nan 8.290 nan 0.000 0.546 223 E N 0.724 120.940 120.200 0.025 0.000 2.338 223 E HA 0.445 4.795 4.350 0.000 0.000 0.272 223 E C -0.635 175.875 176.600 -0.150 0.000 1.029 223 E CA -0.482 55.889 56.400 -0.049 0.000 0.872 223 E CB 0.911 30.586 29.700 -0.042 0.000 1.015 223 E HN 0.058 nan 8.360 nan 0.000 0.417 224 L N 2.660 123.808 121.223 -0.125 0.000 2.342 224 L HA 0.495 4.835 4.340 0.000 0.000 0.271 224 L C 0.647 177.441 176.870 -0.126 0.000 1.008 224 L CA -0.936 53.818 54.840 -0.143 0.000 0.818 224 L CB 1.835 43.846 42.059 -0.081 0.000 1.296 224 L HN 0.834 nan 8.230 nan 0.000 0.427 225 A N 2.218 124.964 122.820 -0.124 0.000 2.178 225 A HA 0.127 4.447 4.320 0.000 0.000 0.211 225 A C 0.743 178.304 177.584 -0.038 0.000 1.157 225 A CA 0.016 52.002 52.037 -0.086 0.000 0.780 225 A CB -0.095 18.861 19.000 -0.073 0.000 0.828 225 A HN 0.553 nan 8.150 nan 0.000 0.476 226 I N 0.350 120.910 120.570 -0.017 0.000 2.826 226 I HA 0.302 4.472 4.170 0.000 0.000 0.295 226 I C 1.418 177.580 176.117 0.075 0.000 1.213 226 I CA 1.646 62.972 61.300 0.042 0.000 1.436 226 I CB 0.326 38.339 38.000 0.022 0.000 1.348 226 I HN 0.571 nan 8.210 nan 0.000 0.570 227 G N 4.356 113.265 108.800 0.181 0.000 2.232 227 G HA2 -0.230 3.730 3.960 0.000 0.000 0.226 227 G HA3 -0.230 3.730 3.960 0.000 0.000 0.226 227 G C 1.043 175.971 174.900 0.047 0.000 0.996 227 G CA 0.378 45.595 45.100 0.195 0.000 0.626 227 G HN 1.190 nan 8.290 nan 0.000 0.509 228 G N 0.572 109.365 108.800 -0.011 0.000 2.418 228 G HA2 0.303 4.263 3.960 0.000 0.000 0.217 228 G HA3 0.303 4.263 3.960 0.000 0.000 0.217 228 G C 1.660 176.526 174.900 -0.056 0.000 1.158 228 G CA 3.358 48.409 45.100 -0.082 0.000 0.771 228 G HN 2.277 nan 8.290 nan 0.000 0.545 229 T N -1.396 113.146 114.554 -0.021 0.000 14.123 229 T HA -0.359 3.991 4.350 0.000 0.000 0.422 229 T C 1.840 176.535 174.700 -0.007 0.000 1.439 229 T CA 2.419 64.508 62.100 -0.018 0.000 2.346 229 T CB -1.448 67.398 68.868 -0.036 0.000 2.754 229 T HN 1.432 nan 8.240 nan 0.000 0.247 230 A N 1.021 123.841 122.820 -0.000 0.000 1.897 230 A HA 0.400 4.720 4.320 0.000 0.000 0.215 230 A C 2.648 180.254 177.584 0.037 0.000 1.181 230 A CA 3.308 55.356 52.037 0.019 0.000 0.620 230 A CB -0.588 18.423 19.000 0.019 0.000 0.821 230 A HN 2.017 nan 8.150 nan 0.000 0.443 231 V N -5.989 113.950 119.914 0.041 0.000 3.398 231 V HA 0.619 4.739 4.120 0.000 0.000 0.298 231 V C 1.109 177.247 176.094 0.073 0.000 1.496 231 V CA 0.646 63.002 62.300 0.094 0.000 1.044 231 V CB -0.311 31.597 31.823 0.143 0.000 0.880 231 V HN 1.433 nan 8.190 nan 0.000 0.443 232 G N 1.384 110.121 108.800 -0.104 0.000 2.192 232 G HA2 -0.265 3.695 3.960 0.000 0.000 0.193 232 G HA3 -0.265 3.695 3.960 0.000 0.000 0.193 232 G C 0.866 175.366 174.900 -0.666 0.000 0.999 232 G CA 0.865 45.674 45.100 -0.485 0.000 0.659 232 G HN 0.988 nan 8.290 nan 0.000 0.503 233 T N -1.490 112.952 114.554 -0.187 0.000 3.067 233 T HA 0.406 4.756 4.350 0.000 0.000 0.261 233 T C 2.423 177.095 174.700 -0.046 0.000 1.110 233 T CA 1.711 63.801 62.100 -0.017 0.000 1.113 233 T CB 0.190 69.134 68.868 0.127 0.000 0.917 233 T HN 2.166 nan 8.240 nan 0.000 0.499 234 G N 1.069 109.825 108.800 -0.073 0.000 2.143 234 G HA2 -0.223 3.737 3.960 0.000 0.000 0.249 234 G HA3 -0.223 3.737 3.960 0.000 0.000 0.249 234 G C -0.059 174.825 174.900 -0.027 0.000 0.981 234 G CA 0.043 45.117 45.100 -0.043 0.000 0.665 234 G HN 0.763 nan 8.290 nan 0.000 0.528 235 L N 0.671 121.886 121.223 -0.015 0.000 2.559 235 L HA 0.403 4.743 4.340 0.000 0.000 0.274 235 L C 1.021 177.869 176.870 -0.038 0.000 1.205 235 L CA 1.420 56.252 54.840 -0.013 0.000 0.907 235 L CB -0.099 41.962 42.059 0.003 0.000 1.153 235 L HN 0.375 nan 8.230 nan 0.000 0.490 236 N N 1.705 120.378 118.700 -0.046 0.000 2.901 236 N HA -0.169 4.571 4.740 0.000 0.000 0.248 236 N C -0.464 174.973 175.510 -0.121 0.000 1.044 236 N CA 1.106 54.114 53.050 -0.071 0.000 0.847 236 N CB -1.568 36.881 38.487 -0.064 0.000 1.127 236 N HN 0.798 nan 8.380 nan 0.000 0.562 237 A N -0.049 122.698 122.820 -0.120 0.000 2.384 237 A HA 0.810 5.130 4.320 0.000 0.000 0.312 237 A C -2.468 175.064 177.584 -0.088 0.000 1.113 237 A CA -1.322 50.601 52.037 -0.190 0.000 0.779 237 A CB 1.276 20.152 19.000 -0.207 0.000 1.307 237 A HN -0.102 nan 8.150 nan 0.000 0.436 238 P HA 0.188 nan 4.420 nan 0.000 0.268 238 P C -0.349 176.992 177.300 0.068 0.000 1.204 238 P CA 0.032 63.148 63.100 0.026 0.000 0.768 238 P CB 0.528 32.277 31.700 0.081 0.000 0.842 239 D N 0.996 121.425 120.400 0.048 0.000 2.228 239 D HA -0.171 4.469 4.640 0.000 0.000 0.203 239 D C 0.780 177.118 176.300 0.064 0.000 0.988 239 D CA 1.521 55.548 54.000 0.046 0.000 0.864 239 D CB -0.256 40.563 40.800 0.032 0.000 0.928 239 D HN 0.532 nan 8.370 nan 0.000 0.469 240 D N -1.161 119.289 120.400 0.084 0.000 2.593 240 D HA -0.031 4.609 4.640 0.000 0.000 0.241 240 D C 1.213 177.573 176.300 0.099 0.000 1.257 240 D CA -0.534 53.507 54.000 0.068 0.000 0.828 240 D CB -0.767 40.057 40.800 0.040 0.000 1.049 240 D HN 0.085 nan 8.370 nan 0.000 0.490 241 F N 2.223 122.164 119.950 -0.015 0.000 2.075 241 F HA 0.043 4.570 4.527 0.000 0.000 0.297 241 F C 2.291 178.081 175.800 -0.018 0.000 1.113 241 F CA 2.174 60.166 58.000 -0.014 0.000 1.218 241 F CB -0.424 38.567 39.000 -0.014 0.000 0.984 241 F HN 0.109 nan 8.300 nan 0.000 0.472 242 G N 0.133 108.963 108.800 0.050 0.000 2.514 242 G HA2 -0.287 3.673 3.960 0.000 0.000 0.217 242 G HA3 -0.287 3.673 3.960 0.000 0.000 0.217 242 G C 1.818 176.646 174.900 -0.119 0.000 1.198 242 G CA 1.567 46.632 45.100 -0.058 0.000 0.780 242 G HN 0.338 nan 8.290 nan 0.000 0.565 243 V N 0.710 120.584 119.914 -0.068 0.000 2.380 243 V HA -0.241 3.879 4.120 0.000 0.000 0.251 243 V C 2.994 179.030 176.094 -0.097 0.000 1.063 243 V CA 2.362 64.622 62.300 -0.066 0.000 1.055 243 V CB -0.478 31.325 31.823 -0.034 0.000 0.657 243 V HN 0.349 nan 8.190 nan 0.000 0.455 244 R N -0.812 119.610 120.500 -0.130 0.000 2.073 244 R HA -0.075 4.265 4.340 0.000 0.000 0.229 244 R C 2.229 178.405 176.300 -0.206 0.000 1.120 244 R CA 1.237 57.248 56.100 -0.147 0.000 0.967 244 R CB -0.458 29.760 30.300 -0.137 0.000 0.862 244 R HN 0.408 nan 8.270 nan 0.000 0.436 245 V N 0.492 120.205 119.914 -0.335 0.000 2.295 245 V HA -0.219 3.901 4.120 0.000 0.000 0.246 245 V C 2.307 178.290 176.094 -0.185 0.000 1.049 245 V CA 1.631 63.733 62.300 -0.331 0.000 1.024 245 V CB -0.345 31.187 31.823 -0.485 0.000 0.648 245 V HN 0.122 nan 8.190 nan 0.000 0.447 246 V N 0.347 120.170 119.914 -0.152 0.000 2.343 246 V HA -0.263 3.858 4.120 0.000 0.000 0.247 246 V C 2.730 178.775 176.094 -0.081 0.000 1.051 246 V CA 1.941 64.181 62.300 -0.099 0.000 1.036 246 V CB -1.176 30.599 31.823 -0.080 0.000 0.654 246 V HN 0.562 nan 8.190 nan 0.000 0.451 247 A N -0.178 122.593 122.820 -0.082 0.000 1.908 247 A HA -0.188 4.132 4.320 0.000 0.000 0.218 247 A C 2.399 179.947 177.584 -0.061 0.000 1.181 247 A CA 2.271 54.270 52.037 -0.064 0.000 0.627 247 A CB -0.704 18.261 19.000 -0.059 0.000 0.818 247 A HN 0.354 nan 8.150 nan 0.000 0.445 248 V N -0.082 119.786 119.914 -0.075 0.000 2.358 248 V HA -0.243 3.877 4.120 0.000 0.000 0.246 248 V C 2.567 178.628 176.094 -0.055 0.000 1.047 248 V CA 1.901 64.163 62.300 -0.063 0.000 1.035 248 V CB -0.761 31.018 31.823 -0.073 0.000 0.658 248 V HN 0.567 nan 8.190 nan 0.000 0.452 249 L N -0.434 120.752 121.223 -0.063 0.000 2.012 249 L HA -0.170 4.170 4.340 0.000 0.000 0.210 249 L C 2.503 179.346 176.870 -0.045 0.000 1.073 249 L CA 1.290 56.099 54.840 -0.052 0.000 0.748 249 L CB -0.716 41.309 42.059 -0.058 0.000 0.891 249 L HN 0.186 nan 8.230 nan 0.000 0.431 250 V N 0.119 120.005 119.914 -0.046 0.000 2.332 250 V HA -0.346 3.774 4.120 0.000 0.000 0.248 250 V C 2.722 178.795 176.094 -0.035 0.000 1.055 250 V CA 1.985 64.261 62.300 -0.040 0.000 1.038 250 V CB -1.006 30.794 31.823 -0.038 0.000 0.651 250 V HN 0.518 nan 8.190 nan 0.000 0.450 251 A N -1.160 121.639 122.820 -0.035 0.000 1.930 251 A HA -0.231 4.089 4.320 0.000 0.000 0.217 251 A C 2.192 179.760 177.584 -0.027 0.000 1.175 251 A CA 1.699 53.719 52.037 -0.029 0.000 0.627 251 A CB -0.363 18.620 19.000 -0.028 0.000 0.815 251 A HN 0.631 nan 8.150 nan 0.000 0.443 252 Q N -0.939 118.844 119.800 -0.028 0.000 2.096 252 Q HA -0.090 4.250 4.340 0.000 0.000 0.197 252 Q C 2.275 178.260 176.000 -0.025 0.000 0.964 252 Q CA 1.830 57.618 55.803 -0.024 0.000 0.838 252 Q CB -0.192 28.533 28.738 -0.023 0.000 0.906 252 Q HN 0.853 nan 8.270 nan 0.000 0.444 253 T N -4.003 110.533 114.554 -0.030 0.000 3.044 253 T HA 0.203 4.553 4.350 0.000 0.000 0.255 253 T C 1.450 176.128 174.700 -0.037 0.000 1.073 253 T CA 0.663 62.743 62.100 -0.033 0.000 1.125 253 T CB 0.415 69.260 68.868 -0.038 0.000 0.908 253 T HN 0.421 nan 8.240 nan 0.000 0.480 254 G N 1.375 110.154 108.800 -0.035 0.000 2.143 254 G HA2 -0.200 3.761 3.960 0.000 0.000 0.249 254 G HA3 -0.200 3.761 3.960 0.000 0.000 0.249 254 G C -0.017 174.859 174.900 -0.040 0.000 0.981 254 G CA 0.173 45.251 45.100 -0.036 0.000 0.665 254 G HN 0.622 nan 8.290 nan 0.000 0.528 255 L N 2.334 123.532 121.223 -0.042 0.000 2.358 255 L HA 0.328 4.669 4.340 0.000 0.000 0.274 255 L C 1.998 178.846 176.870 -0.037 0.000 1.136 255 L CA 0.171 54.984 54.840 -0.044 0.000 0.970 255 L CB 0.944 42.974 42.059 -0.049 0.000 1.314 255 L HN 0.358 nan 8.230 nan 0.000 0.427 256 S N -0.151 115.529 115.700 -0.033 0.000 2.469 256 S HA -0.175 4.295 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 0.839 59.022 58.200 -0.028 0.000 0.957 256 S CB -0.061 63.124 63.200 -0.025 0.000 0.764 256 S HN 0.632 nan 8.310 nan 0.000 0.514 257 E N 1.136 121.321 120.200 -0.026 0.000 2.274 257 E HA 0.219 4.569 4.350 0.000 0.000 0.194 257 E C 0.327 176.917 176.600 -0.016 0.000 0.996 257 E CA 0.104 56.493 56.400 -0.019 0.000 0.840 257 E CB -0.335 29.354 29.700 -0.019 0.000 0.772 257 E HN 0.593 nan 8.360 nan 0.000 0.491 258 L N 2.141 123.351 121.223 -0.023 0.000 2.485 258 L HA 0.197 4.537 4.340 0.000 0.000 0.275 258 L C 0.520 177.374 176.870 -0.027 0.000 1.207 258 L CA 0.246 55.072 54.840 -0.024 0.000 0.855 258 L CB 0.193 42.233 42.059 -0.033 0.000 1.114 258 L HN 0.129 nan 8.230 nan 0.000 0.485 259 R N 0.063 120.546 120.500 -0.029 0.000 2.664 259 R HA 0.418 4.758 4.340 0.000 0.000 0.266 259 R C -0.908 175.368 176.300 -0.040 0.000 1.046 259 R CA -0.881 55.200 56.100 -0.032 0.000 0.885 259 R CB 0.863 31.150 30.300 -0.022 0.000 1.254 259 R HN 0.552 nan 8.270 nan 0.000 0.465 260 T N -0.198 114.330 114.554 -0.042 0.000 2.903 260 T HA 0.421 4.771 4.350 0.000 0.000 0.314 260 T C 0.830 175.504 174.700 -0.044 0.000 1.078 260 T CA -0.162 61.910 62.100 -0.047 0.000 1.114 260 T CB 0.787 69.631 68.868 -0.040 0.000 0.987 260 T HN 0.752 nan 8.240 nan 0.000 0.548 261 A N 1.431 124.219 122.820 -0.055 0.000 2.445 261 A HA 0.603 4.923 4.320 0.000 0.000 0.242 261 A C 1.784 179.352 177.584 -0.026 0.000 1.075 261 A CA -0.198 51.809 52.037 -0.049 0.000 0.777 261 A CB -0.466 18.493 19.000 -0.069 0.000 1.013 261 A HN 1.361 nan 8.150 nan 0.000 0.493 262 A N 1.803 124.616 122.820 -0.011 0.000 1.908 262 A HA -0.073 4.247 4.320 0.000 0.000 0.218 262 A C 1.123 178.718 177.584 0.018 0.000 1.181 262 A CA 1.759 53.799 52.037 0.005 0.000 0.627 262 A CB -0.264 18.744 19.000 0.012 0.000 0.818 262 A HN 0.846 nan 8.150 nan 0.000 0.445 263 N N -0.975 117.739 118.700 0.022 0.000 2.430 263 N HA 0.162 4.902 4.740 0.000 0.000 0.290 263 N C 0.475 175.994 175.510 0.015 0.000 1.063 263 N CA 0.532 53.617 53.050 0.058 0.000 0.883 263 N CB 1.877 40.426 38.487 0.105 0.000 1.465 263 N HN 0.145 nan 8.380 nan 0.000 0.493 264 S N 2.547 118.203 115.700 -0.074 0.000 2.481 264 S HA 0.014 4.484 4.470 0.000 0.000 0.231 264 S C 1.305 175.713 174.600 -0.320 0.000 0.996 264 S CA 0.431 58.486 58.200 -0.241 0.000 0.942 264 S CB -0.373 62.608 63.200 -0.365 0.000 0.768 264 S HN 0.490 nan 8.310 nan 0.000 0.520 265 F N 1.998 121.958 119.950 0.017 0.000 2.179 265 F HA 0.234 4.761 4.527 0.000 0.000 0.292 265 F C 2.810 178.623 175.800 0.021 0.000 1.089 265 F CA 0.786 58.800 58.000 0.024 0.000 1.295 265 F CB -0.443 38.574 39.000 0.028 0.000 1.041 265 F HN 0.178 nan 8.300 nan 0.000 0.487 266 E N 1.341 121.657 120.200 0.194 0.000 2.160 266 E HA -0.201 4.149 4.350 0.000 0.000 0.195 266 E C 2.081 178.716 176.600 0.059 0.000 0.991 266 E CA 1.194 57.658 56.400 0.106 0.000 0.810 266 E CB -0.169 29.580 29.700 0.081 0.000 0.742 266 E HN 0.325 nan 8.360 nan 0.000 0.466 267 A N 0.167 122.999 122.820 0.021 0.000 2.167 267 A HA -0.072 4.248 4.320 0.000 0.000 0.214 267 A C 1.844 179.415 177.584 -0.021 0.000 1.151 267 A CA 0.820 52.838 52.037 -0.032 0.000 0.735 267 A CB -0.014 18.939 19.000 -0.078 0.000 0.802 267 A HN 0.294 nan 8.150 nan 0.000 0.467 268 Q N -1.995 117.816 119.800 0.019 0.000 2.404 268 Q HA 0.275 4.615 4.340 0.000 0.000 0.262 268 Q C 1.970 178.023 176.000 0.088 0.000 0.846 268 Q CA 0.559 56.390 55.803 0.045 0.000 0.978 268 Q CB 0.226 28.981 28.738 0.029 0.000 1.156 268 Q HN 0.526 nan 8.270 nan 0.000 0.548 269 A N 0.904 123.786 122.820 0.103 0.000 2.119 269 A HA 0.406 4.726 4.320 0.000 0.000 0.216 269 A C 0.897 178.534 177.584 0.088 0.000 1.152 269 A CA 0.978 53.082 52.037 0.111 0.000 0.708 269 A CB 0.106 19.180 19.000 0.122 0.000 0.805 269 A HN 0.270 nan 8.150 nan 0.000 0.460 270 A N -1.396 121.473 122.820 0.082 0.000 2.566 270 A HA 0.759 5.080 4.320 0.000 0.000 0.292 270 A C -0.149 177.493 177.584 0.097 0.000 1.112 270 A CA -0.698 51.384 52.037 0.075 0.000 0.707 270 A CB 0.945 19.977 19.000 0.052 0.000 1.302 270 A HN 0.012 nan 8.150 nan 0.000 0.409 271 R N 0.636 121.200 120.500 0.106 0.000 2.727 271 R HA 0.165 4.505 4.340 0.000 0.000 0.410 271 R C -0.655 175.720 176.300 0.124 0.000 1.101 271 R CA -0.200 55.992 56.100 0.153 0.000 1.045 271 R CB 0.309 30.704 30.300 0.158 0.000 1.380 271 R HN 0.760 nan 8.270 nan 0.000 0.587 272 D N 0.025 120.483 120.400 0.096 0.000 2.178 272 D HA -0.094 4.546 4.640 0.000 0.000 0.201 272 D C 1.826 178.175 176.300 0.083 0.000 0.980 272 D CA 1.461 55.502 54.000 0.068 0.000 0.842 272 D CB 0.067 40.895 40.800 0.046 0.000 0.948 272 D HN 0.393 nan 8.370 nan 0.000 0.472 273 G N 0.737 109.621 108.800 0.139 0.000 2.450 273 G HA2 -0.195 3.765 3.960 0.000 0.000 0.220 273 G HA3 -0.195 3.765 3.960 0.000 0.000 0.220 273 G C 1.720 176.670 174.900 0.084 0.000 1.130 273 G CA 0.290 45.482 45.100 0.154 0.000 0.760 273 G HN 0.265 nan 8.290 nan 0.000 0.557 274 L N 0.165 121.417 121.223 0.049 0.000 2.072 274 L HA -0.036 4.305 4.340 0.000 0.000 0.205 274 L C 2.964 179.839 176.870 0.008 0.000 1.079 274 L CA 0.374 55.201 54.840 -0.022 0.000 0.752 274 L CB -0.553 41.480 42.059 -0.043 0.000 0.906 274 L HN 0.077 nan 8.230 nan 0.000 0.436 275 V N 0.150 120.079 119.914 0.025 0.000 2.343 275 V HA -0.293 3.827 4.120 0.000 0.000 0.247 275 V C 2.493 178.593 176.094 0.009 0.000 1.051 275 V CA 2.007 64.316 62.300 0.015 0.000 1.036 275 V CB -0.537 31.295 31.823 0.016 0.000 0.654 275 V HN 0.522 nan 8.190 nan 0.000 0.451 276 E N 0.499 120.712 120.200 0.022 0.000 2.077 276 E HA -0.231 4.119 4.350 0.000 0.000 0.193 276 E C 2.233 178.842 176.600 0.015 0.000 0.989 276 E CA 1.446 57.859 56.400 0.021 0.000 0.800 276 E CB -0.209 29.512 29.700 0.034 0.000 0.746 276 E HN 0.555 nan 8.360 nan 0.000 0.452 277 A N 0.502 123.337 122.820 0.024 0.000 1.930 277 A HA -0.150 4.170 4.320 0.000 0.000 0.217 277 A C 2.336 179.887 177.584 -0.054 0.000 1.175 277 A CA 1.681 53.733 52.037 0.026 0.000 0.627 277 A CB -0.762 18.301 19.000 0.105 0.000 0.815 277 A HN 0.333 nan 8.150 nan 0.000 0.443 278 S N -0.498 115.164 115.700 -0.064 0.000 2.383 278 S HA -0.077 4.394 4.470 0.000 0.000 0.229 278 S C 2.042 176.595 174.600 -0.079 0.000 1.030 278 S CA 1.715 59.854 58.200 -0.102 0.000 1.002 278 S CB -0.690 62.472 63.200 -0.062 0.000 0.829 278 S HN 0.728 nan 8.310 nan 0.000 0.467 279 G N 0.738 109.513 108.800 -0.042 0.000 2.469 279 G HA2 -0.140 3.820 3.960 0.000 0.000 0.219 279 G HA3 -0.140 3.820 3.960 0.000 0.000 0.219 279 G C 1.631 176.509 174.900 -0.036 0.000 1.150 279 G CA 1.077 46.159 45.100 -0.030 0.000 0.763 279 G HN 0.685 nan 8.290 nan 0.000 0.561 280 A N 0.432 123.230 122.820 -0.038 0.000 1.898 280 A HA 0.170 4.490 4.320 0.000 0.000 0.216 280 A C 2.441 179.988 177.584 -0.063 0.000 1.181 280 A CA 1.141 53.159 52.037 -0.032 0.000 0.620 280 A CB -0.337 18.659 19.000 -0.007 0.000 0.819 280 A HN 0.349 nan 8.150 nan 0.000 0.442 281 L N -0.938 120.209 121.223 -0.127 0.000 2.046 281 L HA -0.178 4.162 4.340 0.000 0.000 0.208 281 L C 2.809 179.613 176.870 -0.110 0.000 1.077 281 L CA 1.802 56.537 54.840 -0.174 0.000 0.747 281 L CB -0.563 41.299 42.059 -0.328 0.000 0.896 281 L HN 0.490 nan 8.230 nan 0.000 0.432 282 R N -0.052 120.395 120.500 -0.088 0.000 2.092 282 R HA -0.134 4.206 4.340 0.000 0.000 0.231 282 R C 2.160 178.436 176.300 -0.039 0.000 1.119 282 R CA 1.820 57.884 56.100 -0.059 0.000 0.970 282 R CB -0.214 30.059 30.300 -0.045 0.000 0.864 282 R HN 0.230 nan 8.270 nan 0.000 0.440 283 T N 1.308 115.844 114.554 -0.031 0.000 2.788 283 T HA -0.098 4.252 4.350 0.000 0.000 0.268 283 T C 1.795 176.488 174.700 -0.011 0.000 1.044 283 T CA 1.486 63.577 62.100 -0.015 0.000 1.139 283 T CB -0.099 68.764 68.868 -0.007 0.000 0.867 283 T HN 0.222 nan 8.240 nan 0.000 0.454 284 I N 1.213 121.772 120.570 -0.018 0.000 2.315 284 I HA -0.142 4.029 4.170 0.000 0.000 0.248 284 I C 2.860 178.968 176.117 -0.015 0.000 1.117 284 I CA 0.931 62.227 61.300 -0.007 0.000 1.404 284 I CB -0.425 37.570 38.000 -0.008 0.000 1.071 284 I HN 0.179 nan 8.210 nan 0.000 0.419 285 A N 0.429 123.229 122.820 -0.033 0.000 1.933 285 A HA -0.157 4.163 4.320 0.000 0.000 0.218 285 A C 2.441 180.006 177.584 -0.031 0.000 1.175 285 A CA 1.730 53.743 52.037 -0.039 0.000 0.628 285 A CB -0.941 18.029 19.000 -0.049 0.000 0.814 285 A HN 0.239 nan 8.150 nan 0.000 0.444 286 V N -0.059 119.842 119.914 -0.021 0.000 2.295 286 V HA -0.241 3.879 4.120 0.000 0.000 0.246 286 V C 2.816 178.906 176.094 -0.007 0.000 1.049 286 V CA 2.385 64.677 62.300 -0.013 0.000 1.024 286 V CB -0.851 30.968 31.823 -0.007 0.000 0.648 286 V HN 0.580 nan 8.190 nan 0.000 0.447 287 S N 0.101 115.802 115.700 0.002 0.000 2.356 287 S HA -0.133 4.337 4.470 0.000 0.000 0.223 287 S C 1.920 176.520 174.600 0.000 0.000 1.032 287 S CA 1.581 59.790 58.200 0.015 0.000 1.005 287 S CB -0.404 62.817 63.200 0.035 0.000 0.867 287 S HN 0.458 nan 8.310 nan 0.000 0.449 288 L N 1.091 122.310 121.223 -0.007 0.000 2.046 288 L HA -0.139 4.201 4.340 0.000 0.000 0.208 288 L C 2.718 179.545 176.870 -0.072 0.000 1.077 288 L CA 1.240 56.064 54.840 -0.027 0.000 0.747 288 L CB -1.321 40.714 42.059 -0.041 0.000 0.896 288 L HN 0.315 nan 8.230 nan 0.000 0.432 289 T N -0.585 113.933 114.554 -0.061 0.000 2.665 289 T HA -0.238 4.112 4.350 0.000 0.000 0.268 289 T C 2.019 176.693 174.700 -0.044 0.000 1.035 289 T CA 1.295 63.361 62.100 -0.058 0.000 1.151 289 T CB -0.148 68.700 68.868 -0.035 0.000 0.862 289 T HN 0.147 nan 8.240 nan 0.000 0.438 290 K N 0.854 121.234 120.400 -0.034 0.000 2.009 290 K HA -0.045 4.275 4.320 0.000 0.000 0.210 290 K C 2.296 178.827 176.600 -0.114 0.000 1.049 290 K CA 1.425 57.693 56.287 -0.031 0.000 0.929 290 K CB -0.643 31.857 32.500 -0.000 0.000 0.714 290 K HN 0.375 nan 8.250 nan 0.000 0.440 291 I N 0.808 121.262 120.570 -0.193 0.000 2.179 291 I HA -0.285 3.885 4.170 0.000 0.000 0.242 291 I C 2.480 178.455 176.117 -0.236 0.000 1.088 291 I CA 1.414 62.444 61.300 -0.450 0.000 1.357 291 I CB -0.363 37.448 38.000 -0.314 0.000 1.051 291 I HN 0.140 nan 8.210 nan 0.000 0.409 292 A N 0.591 123.355 122.820 -0.093 0.000 1.933 292 A HA -0.198 4.122 4.320 0.000 0.000 0.218 292 A C 2.098 179.666 177.584 -0.027 0.000 1.175 292 A CA 1.766 53.761 52.037 -0.071 0.000 0.628 292 A CB -0.621 18.219 19.000 -0.267 0.000 0.814 292 A HN 0.414 nan 8.150 nan 0.000 0.444 293 N N 0.409 119.104 118.700 -0.009 0.000 2.142 293 N HA -0.123 4.617 4.740 0.000 0.000 0.186 293 N C 1.124 176.757 175.510 0.204 0.000 1.023 293 N CA 1.509 54.621 53.050 0.104 0.000 0.852 293 N CB -0.415 38.157 38.487 0.142 0.000 0.998 293 N HN 0.402 nan 8.380 nan 0.000 0.424 294 D N 0.877 121.336 120.400 0.098 0.000 2.123 294 D HA -0.067 4.573 4.640 0.000 0.000 0.196 294 D C 2.083 178.489 176.300 0.176 0.000 0.992 294 D CA 0.556 54.641 54.000 0.141 0.000 0.833 294 D CB -0.219 40.611 40.800 0.051 0.000 0.954 294 D HN 0.294 nan 8.370 nan 0.000 0.455 295 I N 0.931 121.557 120.570 0.093 0.000 2.252 295 I HA -0.221 3.949 4.170 0.000 0.000 0.245 295 I C 2.518 178.728 176.117 0.154 0.000 1.102 295 I CA 0.891 62.291 61.300 0.167 0.000 1.385 295 I CB -0.106 38.013 38.000 0.199 0.000 1.064 295 I HN 0.031 nan 8.210 nan 0.000 0.414 296 R N 0.034 120.583 120.500 0.083 0.000 2.115 296 R HA -0.147 4.193 4.340 0.000 0.000 0.226 296 R C 1.927 178.181 176.300 -0.076 0.000 1.100 296 R CA 1.050 57.134 56.100 -0.027 0.000 0.980 296 R CB -0.871 29.350 30.300 -0.131 0.000 0.875 296 R HN 0.300 nan 8.270 nan 0.000 0.445 297 W N 1.455 122.783 121.300 0.046 0.000 2.381 297 W HA 0.077 4.737 4.660 0.000 0.000 0.301 297 W C 2.383 178.940 176.519 0.064 0.000 1.205 297 W CA 0.867 58.240 57.345 0.047 0.000 1.285 297 W CB -0.085 29.399 29.460 0.040 0.000 1.133 297 W HN -0.019 nan 8.180 nan 0.000 0.521 298 M N -0.099 119.682 119.600 0.301 0.000 2.213 298 M HA -0.084 4.396 4.480 0.000 0.000 0.263 298 M C 2.320 178.719 176.300 0.165 0.000 1.062 298 M CA 1.743 57.181 55.300 0.229 0.000 1.105 298 M CB -1.011 31.733 32.600 0.241 0.000 1.385 298 M HN 0.165 nan 8.290 nan 0.000 0.417 299 G N 0.294 109.173 108.800 0.131 0.000 2.422 299 G HA2 -0.154 3.806 3.960 0.000 0.000 0.218 299 G HA3 -0.154 3.806 3.960 0.000 0.000 0.218 299 G C 0.747 175.681 174.900 0.056 0.000 1.146 299 G CA 0.692 45.840 45.100 0.079 0.000 0.769 299 G HN 0.559 nan 8.290 nan 0.000 0.547 300 S N 0.355 116.089 115.700 0.056 0.000 2.572 300 S HA 0.493 4.963 4.470 0.000 0.000 0.279 300 S C 0.701 175.307 174.600 0.011 0.000 1.341 300 S CA -0.271 57.915 58.200 -0.022 0.000 1.043 300 S CB 1.398 64.532 63.200 -0.111 0.000 0.887 300 S HN 0.492 nan 8.310 nan 0.000 0.516 301 G N 1.880 110.667 108.800 -0.023 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 -1.126 173.774 174.900 0.000 0.000 1.216 301 G CA -1.480 43.612 45.100 -0.013 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 1.734 179.025 177.300 -0.016 0.000 1.150 302 P CA 0.594 63.685 63.100 -0.015 0.000 0.832 302 P CB 0.305 31.990 31.700 -0.024 0.000 0.787 303 L N -0.035 121.184 121.223 -0.007 0.000 2.253 303 L HA 0.116 4.456 4.340 0.000 0.000 0.205 303 L C 1.970 178.851 176.870 0.018 0.000 1.078 303 L CA 2.088 56.925 54.840 -0.004 0.000 0.805 303 L CB -1.280 40.776 42.059 -0.005 0.000 0.963 303 L HN 0.001 nan 8.230 nan 0.000 0.459 304 T N -3.079 111.492 114.554 0.028 0.000 3.105 304 T HA 0.471 4.821 4.350 0.000 0.000 0.253 304 T C 0.763 175.511 174.700 0.080 0.000 1.047 304 T CA 0.079 62.208 62.100 0.048 0.000 0.944 304 T CB -0.230 68.663 68.868 0.041 0.000 1.016 304 T HN 0.310 nan 8.240 nan 0.000 0.544 305 G N 0.784 109.635 108.800 0.085 0.000 3.122 305 G HA2 0.557 4.517 3.960 0.000 0.000 0.180 305 G HA3 0.557 4.517 3.960 0.000 0.000 0.180 305 G C -0.010 174.981 174.900 0.151 0.000 1.279 305 G CA -0.722 44.462 45.100 0.141 0.000 0.987 305 G HN 0.130 nan 8.290 nan 0.000 0.589 306 L N 0.508 121.845 121.223 0.190 0.000 2.249 306 L HA 0.342 4.682 4.340 0.000 0.000 0.207 306 L C 2.420 179.391 176.870 0.169 0.000 1.090 306 L CA 1.206 56.157 54.840 0.185 0.000 0.802 306 L CB -0.854 41.334 42.059 0.214 0.000 0.947 306 L HN 1.012 nan 8.230 nan 0.000 0.453 307 A N -0.320 122.572 122.820 0.120 0.000 2.748 307 A HA -0.294 4.026 4.320 0.000 0.000 0.297 307 A C 1.646 179.296 177.584 0.110 0.000 1.508 307 A CA 1.208 53.285 52.037 0.068 0.000 0.799 307 A CB -1.894 17.089 19.000 -0.029 0.000 1.011 307 A HN 0.576 nan 8.150 nan 0.000 0.500 308 E N -0.933 119.344 120.200 0.129 0.000 2.170 308 E HA 0.168 4.519 4.350 0.000 0.000 0.191 308 E C 1.146 177.762 176.600 0.027 0.000 0.981 308 E CA 1.191 57.653 56.400 0.104 0.000 0.830 308 E CB 0.018 29.773 29.700 0.092 0.000 0.775 308 E HN 1.069 nan 8.360 nan 0.000 0.470 309 I N -2.476 118.124 120.570 0.050 0.000 3.191 309 I HA 0.387 4.557 4.170 0.000 0.000 0.313 309 I C -1.433 174.722 176.117 0.063 0.000 1.193 309 I CA -1.193 60.127 61.300 0.032 0.000 0.968 309 I CB 2.104 40.156 38.000 0.086 0.000 1.262 309 I HN -0.296 nan 8.210 nan 0.000 0.456 310 Q N 2.542 122.385 119.800 0.071 0.000 2.327 310 Q HA 0.537 4.877 4.340 0.000 0.000 0.270 310 Q C -1.514 174.541 176.000 0.091 0.000 1.022 310 Q CA -0.868 54.975 55.803 0.067 0.000 0.773 310 Q CB 2.703 31.468 28.738 0.044 0.000 1.251 310 Q HN 0.437 nan 8.270 nan 0.000 0.457 311 L N 4.670 125.943 121.223 0.084 0.000 2.397 311 L HA 0.320 4.661 4.340 0.000 0.000 0.271 311 L C -1.899 175.010 176.870 0.065 0.000 1.148 311 L CA -1.261 53.632 54.840 0.089 0.000 0.825 311 L CB -0.146 41.964 42.059 0.085 0.000 1.117 311 L HN 0.439 nan 8.230 nan 0.000 0.456 312 P HA 0.046 nan 4.420 nan 0.000 0.272 312 P C -0.834 176.490 177.300 0.040 0.000 1.223 312 P CA -0.457 62.671 63.100 0.046 0.000 0.784 312 P CB 0.689 32.413 31.700 0.041 0.000 0.923 313 D N 1.233 121.651 120.400 0.030 0.000 2.302 313 D HA 0.094 4.734 4.640 0.000 0.000 0.248 313 D C 1.232 177.547 176.300 0.025 0.000 1.094 313 D CA -0.280 53.735 54.000 0.025 0.000 0.897 313 D CB 1.050 41.861 40.800 0.018 0.000 1.200 313 D HN 0.247 nan 8.370 nan 0.000 0.429 314 L N 2.010 123.247 121.223 0.025 0.000 2.395 314 L HA -0.055 4.285 4.340 0.000 0.000 0.218 314 L C 1.713 178.594 176.870 0.017 0.000 1.130 314 L CA 0.465 55.319 54.840 0.024 0.000 0.826 314 L CB -0.045 42.029 42.059 0.025 0.000 0.941 314 L HN 0.277 nan 8.230 nan 0.000 0.451 315 Q N -0.319 119.489 119.800 0.014 0.000 2.247 315 Q HA 0.199 4.539 4.340 0.000 0.000 0.204 315 Q C -1.415 174.591 176.000 0.010 0.000 0.872 315 Q CA -0.821 54.988 55.803 0.011 0.000 0.951 315 Q CB -0.642 28.101 28.738 0.008 0.000 1.099 315 Q HN 0.412 nan 8.270 nan 0.000 0.501 324 K N 1.990 122.387 120.400 -0.004 0.000 2.762 324 K HA 0.473 4.793 4.320 0.000 0.000 0.272 324 K C -1.287 175.311 176.600 -0.004 0.000 1.093 324 K CA -0.482 55.802 56.287 -0.006 0.000 1.048 324 K CB 1.836 34.330 32.500 -0.009 0.000 1.304 324 K HN 0.223 nan 8.250 nan 0.000 0.511 325 V N 3.716 123.630 119.914 -0.001 0.000 2.370 325 V HA 0.277 4.397 4.120 0.000 0.000 0.283 325 V C -0.113 175.979 176.094 -0.004 0.000 1.023 325 V CA -0.984 61.318 62.300 0.003 0.000 0.857 325 V CB 1.335 33.167 31.823 0.014 0.000 0.985 325 V HN 0.681 nan 8.190 nan 0.000 0.443 326 N N 6.887 125.581 118.700 -0.010 0.000 2.492 326 N HA 0.171 4.911 4.740 0.000 0.000 0.262 326 N C -2.045 173.456 175.510 -0.015 0.000 1.202 326 N CA -1.355 51.682 53.050 -0.021 0.000 0.926 326 N CB 0.876 39.349 38.487 -0.024 0.000 1.078 326 N HN 0.422 nan 8.380 nan 0.000 0.454 327 P HA 0.019 nan 4.420 nan 0.000 0.231 327 P C 0.742 178.030 177.300 -0.021 0.000 1.756 327 P CA 0.028 63.118 63.100 -0.017 0.000 0.990 327 P CB 0.045 31.712 31.700 -0.054 0.000 1.973 328 V N 1.132 121.043 119.914 -0.006 0.000 2.427 328 V HA -0.210 3.910 4.120 0.000 0.000 0.248 328 V C 2.280 178.364 176.094 -0.017 0.000 1.051 328 V CA 1.535 63.828 62.300 -0.013 0.000 1.048 328 V CB -0.637 31.185 31.823 -0.002 0.000 0.666 328 V HN 0.212 nan 8.190 nan 0.000 0.456 329 L N -0.123 121.110 121.223 0.017 0.000 2.072 329 L HA 0.007 4.348 4.340 0.000 0.000 0.205 329 L C -0.043 176.751 176.870 -0.126 0.000 1.079 329 L CA 2.143 56.988 54.840 0.009 0.000 0.752 329 L CB -2.118 40.034 42.059 0.154 0.000 0.906 329 L HN 0.271 nan 8.230 nan 0.000 0.436 330 P HA -0.176 nan 4.420 nan 0.000 0.216 330 P C 1.375 178.567 177.300 -0.181 0.000 1.150 330 P CA 1.295 64.273 63.100 -0.203 0.000 0.837 330 P CB 0.089 31.750 31.700 -0.064 0.000 0.786 331 E N -0.685 119.444 120.200 -0.119 0.000 2.110 331 E HA -0.132 4.218 4.350 0.000 0.000 0.193 331 E C 2.064 178.600 176.600 -0.107 0.000 0.988 331 E CA 1.115 57.453 56.400 -0.103 0.000 0.804 331 E CB -0.475 29.179 29.700 -0.076 0.000 0.745 331 E HN 0.162 nan 8.360 nan 0.000 0.458 332 A N 0.767 123.519 122.820 -0.113 0.000 1.873 332 A HA -0.136 4.185 4.320 0.000 0.000 0.215 332 A C 2.486 179.981 177.584 -0.147 0.000 1.186 332 A CA 1.103 53.077 52.037 -0.106 0.000 0.616 332 A CB -0.656 18.295 19.000 -0.081 0.000 0.823 332 A HN 0.113 nan 8.150 nan 0.000 0.442 333 V N 0.797 120.564 119.914 -0.246 0.000 2.287 333 V HA -0.273 3.847 4.120 0.000 0.000 0.248 333 V C 3.040 179.014 176.094 -0.199 0.000 1.053 333 V CA 2.596 64.717 62.300 -0.298 0.000 1.027 333 V CB -1.594 29.872 31.823 -0.596 0.000 0.646 333 V HN 0.846 nan 8.190 nan 0.000 0.447 334 T N -2.044 112.403 114.554 -0.177 0.000 2.867 334 T HA -0.231 4.119 4.350 0.000 0.000 0.268 334 T C 1.787 176.436 174.700 -0.084 0.000 1.057 334 T CA 1.481 63.512 62.100 -0.115 0.000 1.136 334 T CB -0.335 68.477 68.868 -0.093 0.000 0.874 334 T HN 0.545 nan 8.240 nan 0.000 0.466 335 Q N 0.514 120.265 119.800 -0.082 0.000 2.050 335 Q HA -0.037 4.303 4.340 0.000 0.000 0.202 335 Q C 2.650 178.615 176.000 -0.058 0.000 0.980 335 Q CA 1.502 57.268 55.803 -0.061 0.000 0.840 335 Q CB -0.508 28.198 28.738 -0.055 0.000 0.898 335 Q HN 0.425 nan 8.270 nan 0.000 0.424 336 V N 1.177 121.050 119.914 -0.068 0.000 2.287 336 V HA -0.329 3.791 4.120 0.000 0.000 0.248 336 V C 2.329 178.386 176.094 -0.061 0.000 1.053 336 V CA 1.933 64.196 62.300 -0.061 0.000 1.027 336 V CB -1.048 30.735 31.823 -0.067 0.000 0.646 336 V HN 0.432 nan 8.190 nan 0.000 0.447 337 A N -0.069 122.709 122.820 -0.070 0.000 1.917 337 A HA -0.215 4.105 4.320 0.000 0.000 0.219 337 A C 2.445 179.999 177.584 -0.049 0.000 1.182 337 A CA 2.419 54.419 52.037 -0.061 0.000 0.633 337 A CB -0.910 18.051 19.000 -0.065 0.000 0.819 337 A HN 0.624 nan 8.150 nan 0.000 0.448 338 A N -1.177 121.616 122.820 -0.045 0.000 1.908 338 A HA -0.236 4.084 4.320 0.000 0.000 0.218 338 A C 2.154 179.719 177.584 -0.032 0.000 1.181 338 A CA 2.232 54.249 52.037 -0.034 0.000 0.627 338 A CB -0.535 18.446 19.000 -0.031 0.000 0.818 338 A HN 0.555 nan 8.150 nan 0.000 0.445 339 Q N -0.292 119.487 119.800 -0.035 0.000 2.119 339 Q HA -0.084 4.256 4.340 0.000 0.000 0.201 339 Q C 1.869 177.847 176.000 -0.036 0.000 0.972 339 Q CA 1.930 57.714 55.803 -0.031 0.000 0.847 339 Q CB -0.491 28.229 28.738 -0.030 0.000 0.903 339 Q HN 0.361 nan 8.270 nan 0.000 0.433 340 V N 0.136 120.022 119.914 -0.047 0.000 2.427 340 V HA -0.232 3.889 4.120 0.000 0.000 0.248 340 V C 2.140 178.203 176.094 -0.051 0.000 1.051 340 V CA 1.633 63.897 62.300 -0.060 0.000 1.048 340 V CB -0.459 31.318 31.823 -0.077 0.000 0.666 340 V HN 0.366 nan 8.190 nan 0.000 0.456 341 I N 0.625 121.171 120.570 -0.040 0.000 2.179 341 I HA -0.163 4.007 4.170 0.000 0.000 0.242 341 I C 2.565 178.670 176.117 -0.019 0.000 1.088 341 I CA 1.777 63.060 61.300 -0.028 0.000 1.357 341 I CB -0.790 37.197 38.000 -0.023 0.000 1.051 341 I HN 0.379 nan 8.210 nan 0.000 0.409 342 G N 0.521 109.309 108.800 -0.019 0.000 2.421 342 G HA2 -0.268 3.692 3.960 0.000 0.000 0.216 342 G HA3 -0.268 3.692 3.960 0.000 0.000 0.216 342 G C 1.418 176.312 174.900 -0.011 0.000 1.171 342 G CA 0.872 45.962 45.100 -0.015 0.000 0.775 342 G HN 0.296 nan 8.290 nan 0.000 0.543 343 N N 0.867 119.558 118.700 -0.016 0.000 2.149 343 N HA -0.105 4.635 4.740 0.000 0.000 0.188 343 N C 1.787 177.292 175.510 -0.007 0.000 1.019 343 N CA 1.512 54.556 53.050 -0.010 0.000 0.857 343 N CB -0.481 37.991 38.487 -0.024 0.000 0.997 343 N HN 0.524 nan 8.380 nan 0.000 0.426 344 D N -0.053 120.336 120.400 -0.019 0.000 2.178 344 D HA -0.002 4.638 4.640 0.000 0.000 0.202 344 D C 1.704 178.013 176.300 0.016 0.000 0.974 344 D CA 1.103 55.095 54.000 -0.014 0.000 0.841 344 D CB -0.006 40.777 40.800 -0.029 0.000 0.953 344 D HN 0.253 nan 8.370 nan 0.000 0.478 345 A N 0.365 123.199 122.820 0.024 0.000 1.929 345 A HA 0.150 4.470 4.320 0.000 0.000 0.216 345 A C 2.365 180.004 177.584 0.091 0.000 1.176 345 A CA 1.578 53.650 52.037 0.058 0.000 0.628 345 A CB -0.925 18.101 19.000 0.045 0.000 0.816 345 A HN 0.324 nan 8.150 nan 0.000 0.444 346 A N -0.142 122.708 122.820 0.050 0.000 1.972 346 A HA -0.048 4.272 4.320 0.000 0.000 0.219 346 A C 2.055 179.707 177.584 0.113 0.000 1.169 346 A CA 1.479 53.554 52.037 0.063 0.000 0.635 346 A CB -0.549 18.471 19.000 0.034 0.000 0.810 346 A HN 0.480 nan 8.150 nan 0.000 0.446 347 I N -0.383 120.233 120.570 0.077 0.000 2.252 347 I HA -0.220 3.950 4.170 0.000 0.000 0.245 347 I C 2.903 179.059 176.117 0.065 0.000 1.102 347 I CA 1.008 62.348 61.300 0.066 0.000 1.385 347 I CB -0.200 37.818 38.000 0.030 0.000 1.064 347 I HN 0.328 nan 8.210 nan 0.000 0.414 348 A N 0.431 123.293 122.820 0.069 0.000 1.930 348 A HA -0.242 4.078 4.320 0.000 0.000 0.217 348 A C 2.251 179.863 177.584 0.046 0.000 1.175 348 A CA 1.106 53.170 52.037 0.045 0.000 0.627 348 A CB -1.035 17.990 19.000 0.042 0.000 0.815 348 A HN 0.692 nan 8.150 nan 0.000 0.443 349 W N 0.833 122.078 121.300 -0.092 0.000 2.335 349 W HA -0.157 4.503 4.660 0.000 0.000 0.311 349 W C 2.083 178.425 176.519 -0.295 0.000 1.213 349 W CA 2.074 59.336 57.345 -0.138 0.000 1.274 349 W CB -0.793 28.614 29.460 -0.088 0.000 1.148 349 W HN 0.343 nan 8.180 nan 0.000 0.498 350 G N 0.171 108.978 108.800 0.012 0.000 2.408 350 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 350 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 350 G C 1.735 176.459 174.900 -0.294 0.000 1.150 350 G CA 1.123 45.981 45.100 -0.403 0.000 0.776 350 G HN 0.423 nan 8.290 nan 0.000 0.542 351 G N 1.018 109.759 108.800 -0.097 0.000 2.442 351 G HA2 0.034 3.994 3.960 0.000 0.000 0.219 351 G HA3 0.034 3.994 3.960 0.000 0.000 0.219 351 G C 1.863 176.702 174.900 -0.102 0.000 1.141 351 G CA 1.410 46.479 45.100 -0.051 0.000 0.763 351 G HN 0.648 nan 8.290 nan 0.000 0.554 352 A N 0.118 122.827 122.820 -0.185 0.000 2.169 352 A HA 0.157 4.477 4.320 0.000 0.000 0.212 352 A C 1.702 179.159 177.584 -0.212 0.000 1.153 352 A CA 0.606 52.525 52.037 -0.197 0.000 0.756 352 A CB 0.022 18.871 19.000 -0.251 0.000 0.813 352 A HN 0.296 nan 8.150 nan 0.000 0.471 353 N N 0.553 119.091 118.700 -0.270 0.000 2.275 353 N HA 0.134 4.874 4.740 0.000 0.000 0.236 353 N C 0.646 176.198 175.510 0.070 0.000 1.154 353 N CA 0.400 53.345 53.050 -0.174 0.000 0.866 353 N CB 0.598 38.906 38.487 -0.298 0.000 1.093 353 N HN 0.373 nan 8.380 nan 0.000 0.515 354 G N 0.257 109.094 108.800 0.062 0.000 2.664 354 G HA2 0.454 4.415 3.960 0.000 0.000 0.242 354 G HA3 0.454 4.415 3.960 0.000 0.000 0.242 354 G C -0.533 174.409 174.900 0.070 0.000 1.225 354 G CA -0.203 44.975 45.100 0.130 0.000 0.849 354 G HN 0.201 nan 8.290 nan 0.000 0.581 355 A N 0.286 123.170 122.820 0.108 0.000 2.375 355 A HA 0.759 5.079 4.320 0.000 0.000 0.295 355 A C -0.016 177.690 177.584 0.202 0.000 1.066 355 A CA -0.513 51.569 52.037 0.075 0.000 0.722 355 A CB 0.498 19.639 19.000 0.236 0.000 1.206 355 A HN 1.167 nan 8.150 nan 0.000 0.435 356 F N 0.171 120.151 119.950 0.050 0.000 2.192 356 F HA -0.350 4.177 4.527 0.000 0.000 0.317 356 F C 1.937 177.780 175.800 0.072 0.000 1.454 356 F CA 1.987 60.017 58.000 0.050 0.000 0.932 356 F CB -0.593 38.432 39.000 0.042 0.000 4.108 356 F HN 0.620 nan 8.300 nan 0.000 0.138 357 E N 0.994 121.382 120.200 0.313 0.000 2.502 357 E HA 0.305 4.655 4.350 0.000 0.000 0.194 357 E C -0.063 176.640 176.600 0.172 0.000 1.062 357 E CA 0.573 57.108 56.400 0.226 0.000 0.867 357 E CB 0.272 30.106 29.700 0.222 0.000 0.888 357 E HN 0.358 nan 8.360 nan 0.000 0.510 358 L N 1.628 122.951 121.223 0.167 0.000 2.505 358 L HA 0.332 4.672 4.340 0.000 0.000 0.266 358 L C -1.318 175.638 176.870 0.143 0.000 0.954 358 L CA -0.561 54.361 54.840 0.136 0.000 0.852 358 L CB 2.044 44.172 42.059 0.115 0.000 1.282 358 L HN -0.192 nan 8.230 nan 0.000 0.403 359 N N 3.660 122.446 118.700 0.144 0.000 2.422 359 N HA 0.221 4.961 4.740 0.000 0.000 0.264 359 N C 0.100 175.721 175.510 0.186 0.000 1.063 359 N CA -0.003 53.159 53.050 0.187 0.000 0.959 359 N CB 1.596 40.191 38.487 0.180 0.000 1.087 359 N HN 0.554 nan 8.380 nan 0.000 0.483 360 V N 2.522 122.547 119.914 0.185 0.000 2.993 360 V HA 0.320 4.440 4.120 0.000 0.000 0.377 360 V C -0.448 175.558 176.094 -0.146 0.000 1.318 360 V CA -0.206 62.099 62.300 0.008 0.000 1.312 360 V CB -1.326 30.452 31.823 -0.074 0.000 1.342 360 V HN 0.488 nan 8.190 nan 0.000 0.544 361 Y N -0.645 119.702 120.300 0.078 0.000 2.660 361 Y HA 0.510 5.060 4.550 0.000 0.000 0.254 361 Y C 1.659 177.607 175.900 0.081 0.000 1.176 361 Y CA -0.620 57.531 58.100 0.086 0.000 1.195 361 Y CB 0.031 38.564 38.460 0.120 0.000 1.190 361 Y HN 0.255 nan 8.280 nan 0.000 0.535 362 I N 0.839 121.524 120.570 0.192 0.000 2.226 362 I HA -0.180 3.990 4.170 0.000 0.000 0.245 362 I C -0.630 175.632 176.117 0.242 0.000 1.100 362 I CA 1.029 62.469 61.300 0.234 0.000 1.374 362 I CB -1.294 36.898 38.000 0.320 0.000 1.057 362 I HN 0.106 nan 8.210 nan 0.000 0.413 363 P HA -0.193 nan 4.420 nan 0.000 0.216 363 P C 1.898 179.172 177.300 -0.043 0.000 1.153 363 P CA 1.356 64.493 63.100 0.062 0.000 0.848 363 P CB -0.131 31.435 31.700 -0.222 0.000 0.787 364 M N -1.114 118.446 119.600 -0.066 0.000 2.086 364 M HA -0.125 4.355 4.480 0.000 0.000 0.261 364 M C 1.925 178.246 176.300 0.035 0.000 1.067 364 M CA 2.034 57.296 55.300 -0.064 0.000 1.116 364 M CB -1.027 31.647 32.600 0.123 0.000 1.348 364 M HN -0.073 nan 8.290 nan 0.000 0.407 365 M N -0.148 119.515 119.600 0.104 0.000 2.117 365 M HA -0.162 4.318 4.480 0.000 0.000 0.262 365 M C 2.291 178.621 176.300 0.049 0.000 1.065 365 M CA 1.853 57.206 55.300 0.089 0.000 1.114 365 M CB -0.778 31.891 32.600 0.115 0.000 1.361 365 M HN 0.415 nan 8.290 nan 0.000 0.408 366 A N 0.608 123.462 122.820 0.057 0.000 1.858 366 A HA -0.208 4.113 4.320 0.000 0.000 0.216 366 A C 2.196 179.781 177.584 0.002 0.000 1.190 366 A CA 1.962 54.010 52.037 0.018 0.000 0.617 366 A CB -0.859 18.155 19.000 0.023 0.000 0.827 366 A HN 0.498 nan 8.150 nan 0.000 0.443 367 R N -0.175 120.316 120.500 -0.013 0.000 2.103 367 R HA -0.193 4.148 4.340 0.000 0.000 0.242 367 R C 1.756 178.048 176.300 -0.013 0.000 1.142 367 R CA 1.998 58.076 56.100 -0.037 0.000 0.960 367 R CB -0.443 29.793 30.300 -0.107 0.000 0.858 367 R HN 0.607 nan 8.270 nan 0.000 0.439 368 N N 0.502 119.201 118.700 -0.002 0.000 2.207 368 N HA -0.137 4.603 4.740 0.000 0.000 0.182 368 N C 1.951 177.458 175.510 -0.005 0.000 1.020 368 N CA 1.249 54.300 53.050 0.003 0.000 0.858 368 N CB -0.097 38.398 38.487 0.014 0.000 0.991 368 N HN 0.299 nan 8.380 nan 0.000 0.427 369 I N 1.336 121.910 120.570 0.008 0.000 2.286 369 I HA -0.158 4.012 4.170 0.000 0.000 0.245 369 I C 2.003 178.190 176.117 0.117 0.000 1.104 369 I CA 0.698 62.006 61.300 0.014 0.000 1.397 369 I CB 0.098 38.124 38.000 0.043 0.000 1.072 369 I HN 0.017 nan 8.210 nan 0.000 0.417 370 L N 0.347 121.643 121.223 0.121 0.000 2.083 370 L HA -0.228 4.113 4.340 0.000 0.000 0.209 370 L C 2.502 179.435 176.870 0.105 0.000 1.083 370 L CA 1.669 56.597 54.840 0.147 0.000 0.752 370 L CB -0.758 41.324 42.059 0.038 0.000 0.899 370 L HN 0.352 nan 8.230 nan 0.000 0.433 371 E N 0.102 120.326 120.200 0.041 0.000 2.051 371 E HA -0.208 4.143 4.350 0.000 0.000 0.192 371 E C 2.243 178.848 176.600 0.007 0.000 0.991 371 E CA 1.525 57.935 56.400 0.018 0.000 0.799 371 E CB 0.092 29.793 29.700 0.001 0.000 0.748 371 E HN 0.332 nan 8.360 nan 0.000 0.449 372 S N -0.015 115.666 115.700 -0.030 0.000 2.365 372 S HA -0.164 4.306 4.470 0.000 0.000 0.225 372 S C 1.543 176.072 174.600 -0.119 0.000 1.039 372 S CA 1.344 59.480 58.200 -0.107 0.000 1.033 372 S CB -0.441 62.640 63.200 -0.198 0.000 0.887 372 S HN 0.285 nan 8.310 nan 0.000 0.447 373 F N 1.810 121.745 119.950 -0.024 0.000 2.069 373 F HA -0.106 4.421 4.527 0.000 0.000 0.298 373 F C 2.390 178.177 175.800 -0.022 0.000 1.113 373 F CA 1.460 59.449 58.000 -0.018 0.000 1.214 373 F CB -0.515 38.471 39.000 -0.022 0.000 0.978 373 F HN 0.113 nan 8.300 nan 0.000 0.474 374 K N 0.692 121.183 120.400 0.151 0.000 2.009 374 K HA -0.198 4.122 4.320 0.000 0.000 0.210 374 K C 2.110 178.731 176.600 0.034 0.000 1.049 374 K CA 1.709 58.029 56.287 0.055 0.000 0.929 374 K CB -0.535 31.973 32.500 0.013 0.000 0.714 374 K HN 0.258 nan 8.250 nan 0.000 0.440 375 L N 1.000 122.233 121.223 0.017 0.000 2.042 375 L HA -0.222 4.119 4.340 0.000 0.000 0.210 375 L C 2.578 179.451 176.870 0.004 0.000 1.076 375 L CA 1.158 55.998 54.840 -0.000 0.000 0.749 375 L CB -0.478 41.570 42.059 -0.018 0.000 0.893 375 L HN 0.267 nan 8.230 nan 0.000 0.432 376 L N -0.917 120.309 121.223 0.006 0.000 2.093 376 L HA -0.169 4.171 4.340 0.000 0.000 0.208 376 L C 2.651 179.555 176.870 0.057 0.000 1.085 376 L CA 1.268 56.118 54.840 0.015 0.000 0.755 376 L CB -0.719 41.335 42.059 -0.008 0.000 0.904 376 L HN 0.288 nan 8.230 nan 0.000 0.435 377 T N -0.295 114.309 114.554 0.084 0.000 2.643 377 T HA -0.149 4.202 4.350 0.000 0.000 0.264 377 T C 1.701 176.446 174.700 0.075 0.000 1.045 377 T CA 1.596 63.756 62.100 0.100 0.000 1.155 377 T CB -0.205 68.732 68.868 0.115 0.000 0.863 377 T HN 0.303 nan 8.240 nan 0.000 0.420 378 N N 0.725 119.456 118.700 0.051 0.000 2.106 378 N HA -0.036 4.704 4.740 0.000 0.000 0.188 378 N C 1.940 177.479 175.510 0.048 0.000 1.029 378 N CA 0.630 53.705 53.050 0.042 0.000 0.848 378 N CB -0.930 37.570 38.487 0.021 0.000 1.007 378 N HN 0.125 nan 8.380 nan 0.000 0.423 379 V N 0.856 120.791 119.914 0.034 0.000 2.626 379 V HA -0.132 3.988 4.120 0.000 0.000 0.252 379 V C 2.032 178.178 176.094 0.086 0.000 1.067 379 V CA 1.372 63.689 62.300 0.029 0.000 1.081 379 V CB -0.412 31.395 31.823 -0.027 0.000 0.686 379 V HN 0.232 nan 8.190 nan 0.000 0.468 380 S N -0.297 115.463 115.700 0.099 0.000 2.368 380 S HA -0.151 4.319 4.470 0.000 0.000 0.224 380 S C 1.969 176.663 174.600 0.157 0.000 1.029 380 S CA 1.496 59.790 58.200 0.157 0.000 0.988 380 S CB -0.223 63.053 63.200 0.125 0.000 0.838 380 S HN 0.611 nan 8.310 nan 0.000 0.462 381 R N 0.368 120.935 120.500 0.112 0.000 2.075 381 R HA 0.014 4.354 4.340 0.000 0.000 0.232 381 R C 2.080 178.439 176.300 0.098 0.000 1.126 381 R CA 0.896 57.051 56.100 0.091 0.000 0.963 381 R CB -0.538 29.805 30.300 0.071 0.000 0.858 381 R HN 0.228 nan 8.270 nan 0.000 0.435 382 L N 0.076 121.364 121.223 0.108 0.000 2.012 382 L HA -0.185 4.155 4.340 0.000 0.000 0.210 382 L C 2.159 179.143 176.870 0.190 0.000 1.073 382 L CA 1.608 56.518 54.840 0.116 0.000 0.748 382 L CB -0.743 41.372 42.059 0.094 0.000 0.891 382 L HN 0.074 nan 8.230 nan 0.000 0.431 383 F N 0.118 120.079 119.950 0.018 0.000 2.134 383 F HA -0.192 4.335 4.527 0.000 0.000 0.299 383 F C 2.346 178.163 175.800 0.028 0.000 1.097 383 F CA 1.110 59.121 58.000 0.019 0.000 1.264 383 F CB -0.842 38.167 39.000 0.014 0.000 1.001 383 F HN 0.097 nan 8.300 nan 0.000 0.479 384 A N -0.269 122.575 122.820 0.041 0.000 1.877 384 A HA -0.209 4.111 4.320 0.000 0.000 0.216 384 A C 2.121 179.671 177.584 -0.057 0.000 1.186 384 A CA 1.839 53.830 52.037 -0.075 0.000 0.620 384 A CB -0.696 18.301 19.000 -0.006 0.000 0.822 384 A HN 0.572 nan 8.150 nan 0.000 0.443 385 Q N -1.303 118.498 119.800 0.002 0.000 2.204 385 Q HA 0.082 4.422 4.340 0.000 0.000 0.198 385 Q C 1.667 177.672 176.000 0.007 0.000 0.946 385 Q CA 0.803 56.607 55.803 0.002 0.000 0.859 385 Q CB 0.117 28.866 28.738 0.019 0.000 0.946 385 Q HN 0.548 nan 8.270 nan 0.000 0.474 386 R N -1.293 119.228 120.500 0.035 0.000 2.432 386 R HA 0.227 4.567 4.340 0.000 0.000 0.260 386 R C 0.918 177.254 176.300 0.059 0.000 0.935 386 R CA -0.025 56.102 56.100 0.046 0.000 1.080 386 R CB 0.645 30.980 30.300 0.059 0.000 1.155 386 R HN 0.195 nan 8.270 nan 0.000 0.531 387 C N -0.902 118.420 119.300 0.038 0.000 3.024 387 C HA 0.223 4.683 4.460 0.000 0.000 0.344 387 C C 2.033 176.992 174.990 -0.052 0.000 2.031 387 C CA -0.222 58.822 59.018 0.043 0.000 1.998 387 C CB -0.267 27.586 27.740 0.189 0.000 1.929 387 C HN 0.187 nan 8.230 nan 0.000 0.660 388 I N 2.910 123.351 120.570 -0.215 0.000 2.127 388 I HA -0.112 4.058 4.170 0.000 0.000 0.241 388 I C 2.910 178.942 176.117 -0.141 0.000 1.075 388 I CA 2.337 63.515 61.300 -0.203 0.000 1.334 388 I CB -1.880 35.938 38.000 -0.303 0.000 1.040 388 I HN 0.513 nan 8.210 nan 0.000 0.405 389 A N 0.747 123.491 122.820 -0.126 0.000 1.948 389 A HA -0.140 4.180 4.320 0.000 0.000 0.220 389 A C 2.272 179.802 177.584 -0.091 0.000 1.177 389 A CA 2.053 54.021 52.037 -0.115 0.000 0.636 389 A CB -1.285 17.668 19.000 -0.077 0.000 0.815 389 A HN 0.503 nan 8.150 nan 0.000 0.449 390 G N -1.117 107.657 108.800 -0.043 0.000 3.284 390 G HA2 0.419 4.380 3.960 0.000 0.000 0.236 390 G HA3 0.419 4.380 3.960 0.000 0.000 0.236 390 G C 0.351 175.272 174.900 0.035 0.000 1.158 390 G CA -0.462 44.634 45.100 -0.006 0.000 0.774 390 G HN 0.375 nan 8.290 nan 0.000 0.545 391 L N 1.856 123.106 121.223 0.045 0.000 2.461 391 L HA 0.364 4.705 4.340 0.000 0.000 0.272 391 L C 0.745 177.778 176.870 0.271 0.000 1.197 391 L CA -0.079 54.863 54.840 0.169 0.000 0.836 391 L CB 0.946 43.161 42.059 0.259 0.000 1.105 391 L HN 0.131 nan 8.230 nan 0.000 0.477 392 T N -0.308 114.403 114.554 0.262 0.000 2.876 392 T HA 0.744 5.094 4.350 0.000 0.000 0.289 392 T C -0.453 174.303 174.700 0.093 0.000 1.014 392 T CA -0.871 61.382 62.100 0.255 0.000 0.986 392 T CB 1.936 70.881 68.868 0.129 0.000 1.021 392 T HN 0.665 nan 8.240 nan 0.000 0.458 393 A N 2.907 125.674 122.820 -0.088 0.000 2.290 393 A HA 0.590 4.910 4.320 0.000 0.000 0.310 393 A C 0.339 177.799 177.584 -0.207 0.000 1.202 393 A CA -0.939 50.837 52.037 -0.436 0.000 0.837 393 A CB 0.155 18.469 19.000 -1.143 0.000 1.139 393 A HN 0.807 nan 8.150 nan 0.000 0.509 394 N N 2.990 121.606 118.700 -0.139 0.000 3.050 394 N HA 0.109 4.849 4.740 0.000 0.000 0.289 394 N C 1.391 176.871 175.510 -0.050 0.000 1.209 394 N CA -0.032 52.989 53.050 -0.048 0.000 1.154 394 N CB 0.711 39.210 38.487 0.021 0.000 1.444 394 N HN 0.418 nan 8.380 nan 0.000 0.529 395 V N 1.146 121.004 119.914 -0.093 0.000 2.252 395 V HA -0.296 3.824 4.120 0.000 0.000 0.249 395 V C 2.050 178.116 176.094 -0.047 0.000 1.056 395 V CA 1.737 63.978 62.300 -0.098 0.000 1.022 395 V CB -0.250 31.522 31.823 -0.085 0.000 0.641 395 V HN 0.538 nan 8.190 nan 0.000 0.445 396 E N -0.603 119.591 120.200 -0.010 0.000 2.038 396 E HA -0.302 4.048 4.350 0.000 0.000 0.195 396 E C 2.216 178.834 176.600 0.030 0.000 1.000 396 E CA 1.789 58.193 56.400 0.008 0.000 0.803 396 E CB -0.336 29.377 29.700 0.022 0.000 0.750 396 E HN 0.765 nan 8.360 nan 0.000 0.448 397 H N 1.026 120.071 119.070 -0.042 0.000 2.319 397 H HA -0.104 4.452 4.556 0.000 0.000 0.299 397 H C 2.046 177.351 175.328 -0.038 0.000 1.092 397 H CA 1.631 57.659 56.048 -0.033 0.000 1.302 397 H CB -0.343 29.401 29.762 -0.031 0.000 1.373 397 H HN 0.042 nan 8.280 nan 0.000 0.497 398 L N -0.264 120.877 121.223 -0.135 0.000 2.012 398 L HA -0.184 4.156 4.340 0.000 0.000 0.210 398 L C 2.870 179.640 176.870 -0.165 0.000 1.073 398 L CA 1.862 56.585 54.840 -0.194 0.000 0.748 398 L CB -0.428 41.553 42.059 -0.130 0.000 0.891 398 L HN 0.286 nan 8.230 nan 0.000 0.431 399 R N 0.248 120.681 120.500 -0.112 0.000 2.092 399 R HA -0.167 4.173 4.340 0.000 0.000 0.231 399 R C 2.462 178.713 176.300 -0.083 0.000 1.119 399 R CA 1.198 57.247 56.100 -0.085 0.000 0.970 399 R CB -0.120 30.144 30.300 -0.060 0.000 0.864 399 R HN 0.171 nan 8.270 nan 0.000 0.440 400 R N 0.294 120.742 120.500 -0.087 0.000 2.092 400 R HA -0.053 4.288 4.340 0.000 0.000 0.231 400 R C 2.141 178.383 176.300 -0.096 0.000 1.119 400 R CA 1.237 57.295 56.100 -0.069 0.000 0.970 400 R CB -0.153 30.126 30.300 -0.035 0.000 0.864 400 R HN 0.290 nan 8.270 nan 0.000 0.440 401 L N -0.093 121.027 121.223 -0.171 0.000 2.093 401 L HA -0.078 4.262 4.340 0.000 0.000 0.208 401 L C 2.571 179.381 176.870 -0.101 0.000 1.085 401 L CA 1.141 55.886 54.840 -0.159 0.000 0.755 401 L CB -0.489 41.419 42.059 -0.252 0.000 0.904 401 L HN 0.328 nan 8.230 nan 0.000 0.435 402 A N -0.083 122.678 122.820 -0.097 0.000 1.930 402 A HA -0.198 4.122 4.320 0.000 0.000 0.217 402 A C 2.003 179.557 177.584 -0.050 0.000 1.175 402 A CA 1.398 53.395 52.037 -0.067 0.000 0.627 402 A CB -0.342 18.619 19.000 -0.065 0.000 0.815 402 A HN 0.443 nan 8.150 nan 0.000 0.443 403 E N -0.144 120.027 120.200 -0.049 0.000 2.482 403 E HA 0.036 4.386 4.350 0.000 0.000 0.196 403 E C 0.865 177.448 176.600 -0.030 0.000 1.047 403 E CA 0.560 56.938 56.400 -0.036 0.000 0.869 403 E CB 0.095 29.775 29.700 -0.033 0.000 0.836 403 E HN 0.488 nan 8.360 nan 0.000 0.520 404 S N -0.124 115.555 115.700 -0.034 0.000 2.578 404 S HA 0.084 4.554 4.470 0.000 0.000 0.231 404 S C 0.270 174.857 174.600 -0.022 0.000 0.994 404 S CA -0.295 57.890 58.200 -0.025 0.000 0.956 404 S CB 0.835 64.019 63.200 -0.025 0.000 0.870 404 S HN -0.012 nan 8.310 nan 0.000 0.494 405 S N 2.930 118.615 115.700 -0.024 0.000 2.525 405 S HA 0.301 4.771 4.470 0.000 0.000 0.278 405 S C -1.605 172.988 174.600 -0.011 0.000 1.234 405 S CA -1.837 56.352 58.200 -0.019 0.000 1.058 405 S CB 0.931 64.116 63.200 -0.024 0.000 0.983 405 S HN 0.046 nan 8.310 nan 0.000 0.495 406 P HA -0.085 nan 4.420 nan 0.000 0.219 406 P C 1.063 178.365 177.300 0.004 0.000 1.146 406 P CA 1.023 64.124 63.100 0.001 0.000 0.808 406 P CB -0.210 31.491 31.700 0.002 0.000 0.779 407 S N 0.475 116.176 115.700 0.000 0.000 2.474 407 S HA -0.081 4.389 4.470 0.000 0.000 0.235 407 S C 1.815 176.415 174.600 0.000 0.000 0.997 407 S CA 0.943 59.145 58.200 0.003 0.000 0.949 407 S CB -1.109 62.091 63.200 0.000 0.000 0.766 407 S HN 0.407 nan 8.310 nan 0.000 0.517 408 I N -0.759 119.808 120.570 -0.005 0.000 3.891 408 I HA 0.265 4.436 4.170 0.000 0.000 0.331 408 I C 1.265 177.378 176.117 -0.008 0.000 1.406 408 I CA -0.231 61.064 61.300 -0.008 0.000 1.139 408 I CB 0.151 38.142 38.000 -0.015 0.000 1.056 408 I HN 0.128 nan 8.210 nan 0.000 0.399 409 V N -1.666 118.247 119.914 -0.001 0.000 3.623 409 V HA -0.004 4.116 4.120 0.000 0.000 0.271 409 V C 2.258 178.348 176.094 -0.006 0.000 1.248 409 V CA 1.274 63.572 62.300 -0.003 0.000 1.156 409 V CB -1.393 30.433 31.823 0.005 0.000 0.870 409 V HN 0.600 nan 8.190 nan 0.000 0.453 410 T N -1.517 113.037 114.554 0.001 0.000 2.857 410 T HA 0.052 4.403 4.350 0.000 0.000 0.266 410 T C -0.035 174.643 174.700 -0.037 0.000 1.048 410 T CA 1.328 63.426 62.100 -0.003 0.000 1.139 410 T CB -1.608 67.275 68.868 0.024 0.000 0.874 410 T HN 0.497 nan 8.240 nan 0.000 0.455 411 P HA 0.134 nan 4.420 nan 0.000 0.228 411 P C 1.314 178.583 177.300 -0.052 0.000 1.151 411 P CA 0.567 63.644 63.100 -0.039 0.000 0.770 411 P CB -0.311 31.373 31.700 -0.027 0.000 0.786 412 L N -1.369 119.823 121.223 -0.053 0.000 2.313 412 L HA -0.081 4.259 4.340 0.000 0.000 0.214 412 L C 1.933 178.743 176.870 -0.099 0.000 1.119 412 L CA 0.764 55.568 54.840 -0.060 0.000 0.809 412 L CB -0.821 41.212 42.059 -0.043 0.000 0.933 412 L HN 0.002 nan 8.230 nan 0.000 0.449 413 N N 0.570 119.181 118.700 -0.148 0.000 2.061 413 N HA -0.201 4.540 4.740 0.000 0.000 0.193 413 N C 2.068 177.439 175.510 -0.231 0.000 1.030 413 N CA 1.957 54.839 53.050 -0.279 0.000 0.856 413 N CB -0.519 37.677 38.487 -0.486 0.000 1.023 413 N HN 0.368 nan 8.380 nan 0.000 0.424 414 S N -0.457 115.145 115.700 -0.162 0.000 2.469 414 S HA 0.069 4.539 4.470 0.000 0.000 0.238 414 S C 1.735 176.284 174.600 -0.086 0.000 0.998 414 S CA 0.963 59.093 58.200 -0.116 0.000 0.957 414 S CB -0.082 63.069 63.200 -0.081 0.000 0.764 414 S HN 0.394 nan 8.310 nan 0.000 0.514 415 A N 1.094 123.866 122.820 -0.081 0.000 2.108 415 A HA 0.608 4.929 4.320 0.000 0.000 0.206 415 A C 0.998 178.550 177.584 -0.053 0.000 1.212 415 A CA 0.222 52.224 52.037 -0.057 0.000 0.843 415 A CB -0.103 18.870 19.000 -0.046 0.000 0.902 415 A HN 0.751 nan 8.150 nan 0.000 0.477 416 I N -4.884 115.646 120.570 -0.067 0.000 3.457 416 I HA 0.804 4.974 4.170 0.000 0.000 0.307 416 I C 0.548 176.619 176.117 -0.075 0.000 1.138 416 I CA -1.242 60.026 61.300 -0.053 0.000 0.974 416 I CB 1.056 39.034 38.000 -0.037 0.000 1.324 416 I HN 0.006 nan 8.210 nan 0.000 0.485 417 G N -0.117 108.658 108.800 -0.042 0.000 2.667 417 G HA2 0.195 4.155 3.960 0.000 0.000 0.250 417 G HA3 0.195 4.155 3.960 0.000 0.000 0.250 417 G C -0.092 174.780 174.900 -0.046 0.000 1.212 417 G CA -0.122 44.958 45.100 -0.033 0.000 0.874 417 G HN 0.700 nan 8.290 nan 0.000 0.561 418 Y N -0.307 119.991 120.300 -0.004 0.000 2.228 418 Y HA -0.200 4.350 4.550 0.000 0.000 0.285 418 Y C 2.748 178.645 175.900 -0.005 0.000 1.178 418 Y CA 2.065 60.162 58.100 -0.005 0.000 1.202 418 Y CB -0.077 38.380 38.460 -0.005 0.000 0.974 418 Y HN 0.706 nan 8.280 nan 0.000 0.527 419 E N 0.386 120.677 120.200 0.151 0.000 2.051 419 E HA -0.156 4.194 4.350 0.000 0.000 0.189 419 E C 1.919 178.549 176.600 0.050 0.000 0.979 419 E CA 1.599 58.050 56.400 0.085 0.000 0.803 419 E CB -0.238 29.499 29.700 0.062 0.000 0.761 419 E HN 0.459 nan 8.360 nan 0.000 0.451 420 E N -0.242 119.977 120.200 0.033 0.000 2.110 420 E HA -0.129 4.221 4.350 0.000 0.000 0.193 420 E C 1.952 178.560 176.600 0.014 0.000 0.988 420 E CA 1.146 57.556 56.400 0.016 0.000 0.804 420 E CB -0.257 29.446 29.700 0.004 0.000 0.745 420 E HN 0.405 nan 8.360 nan 0.000 0.458 421 A N 0.919 123.748 122.820 0.014 0.000 1.940 421 A HA -0.190 4.130 4.320 0.000 0.000 0.219 421 A C 2.313 179.915 177.584 0.029 0.000 1.176 421 A CA 1.870 53.915 52.037 0.013 0.000 0.631 421 A CB -0.665 18.336 19.000 0.002 0.000 0.814 421 A HN 0.343 nan 8.150 nan 0.000 0.446 422 A N -0.644 122.204 122.820 0.047 0.000 1.968 422 A HA 0.324 4.644 4.320 0.000 0.000 0.217 422 A C 2.397 179.996 177.584 0.025 0.000 1.169 422 A CA 1.610 53.672 52.037 0.042 0.000 0.638 422 A CB -0.712 18.319 19.000 0.051 0.000 0.812 422 A HN 0.960 nan 8.150 nan 0.000 0.446 423 A N -0.557 122.276 122.820 0.021 0.000 1.929 423 A HA 0.099 4.419 4.320 0.000 0.000 0.216 423 A C 2.159 179.749 177.584 0.009 0.000 1.176 423 A CA 1.437 53.482 52.037 0.013 0.000 0.628 423 A CB -0.751 18.257 19.000 0.012 0.000 0.816 423 A HN 0.297 nan 8.150 nan 0.000 0.444 424 V N 0.040 119.959 119.914 0.009 0.000 2.287 424 V HA -0.290 3.830 4.120 0.000 0.000 0.248 424 V C 3.076 179.173 176.094 0.004 0.000 1.053 424 V CA 2.058 64.360 62.300 0.004 0.000 1.027 424 V CB -1.158 30.666 31.823 0.001 0.000 0.646 424 V HN 0.609 nan 8.190 nan 0.000 0.447 425 A N -0.571 122.253 122.820 0.008 0.000 1.902 425 A HA -0.263 4.057 4.320 0.000 0.000 0.217 425 A C 2.280 179.868 177.584 0.005 0.000 1.181 425 A CA 2.128 54.169 52.037 0.007 0.000 0.623 425 A CB -0.456 18.551 19.000 0.011 0.000 0.818 425 A HN 0.541 nan 8.150 nan 0.000 0.443 426 K N -0.890 119.514 120.400 0.007 0.000 2.057 426 K HA -0.175 4.145 4.320 0.000 0.000 0.207 426 K C 2.408 179.011 176.600 0.004 0.000 1.049 426 K CA 1.611 57.901 56.287 0.005 0.000 0.931 426 K CB -0.130 32.374 32.500 0.006 0.000 0.714 426 K HN 0.682 nan 8.250 nan 0.000 0.440 427 Q N 0.243 120.045 119.800 0.004 0.000 2.083 427 Q HA -0.119 4.221 4.340 0.000 0.000 0.198 427 Q C 2.031 178.033 176.000 0.002 0.000 0.969 427 Q CA 1.332 57.137 55.803 0.003 0.000 0.838 427 Q CB -0.089 28.650 28.738 0.003 0.000 0.900 427 Q HN 0.323 nan 8.270 nan 0.000 0.436 428 A N 0.912 123.732 122.820 0.001 0.000 1.917 428 A HA -0.205 4.115 4.320 0.000 0.000 0.219 428 A C 2.039 179.623 177.584 0.001 0.000 1.182 428 A CA 1.404 53.441 52.037 -0.000 0.000 0.633 428 A CB -0.790 18.208 19.000 -0.002 0.000 0.819 428 A HN 0.461 nan 8.150 nan 0.000 0.448 429 L N -1.276 119.948 121.223 0.001 0.000 2.027 429 L HA -0.177 4.163 4.340 0.000 0.000 0.206 429 L C 2.656 179.529 176.870 0.004 0.000 1.074 429 L CA 1.874 56.715 54.840 0.002 0.000 0.745 429 L CB -0.399 41.661 42.059 0.002 0.000 0.898 429 L HN 0.358 nan 8.230 nan 0.000 0.433 430 K N -0.049 120.354 120.400 0.004 0.000 2.097 430 K HA -0.173 4.147 4.320 0.000 0.000 0.206 430 K C 1.757 178.360 176.600 0.005 0.000 1.049 430 K CA 1.344 57.634 56.287 0.004 0.000 0.933 430 K CB 0.115 32.617 32.500 0.004 0.000 0.717 430 K HN 0.269 nan 8.250 nan 0.000 0.442 431 E N -0.014 120.188 120.200 0.004 0.000 2.474 431 E HA 0.041 4.391 4.350 0.000 0.000 0.195 431 E C -0.788 175.815 176.600 0.005 0.000 1.039 431 E CA -0.127 56.276 56.400 0.004 0.000 0.881 431 E CB 0.352 30.054 29.700 0.003 0.000 0.970 431 E HN 0.172 nan 8.360 nan 0.000 0.486 432 R N 1.144 121.647 120.500 0.006 0.000 3.251 432 R HA -0.212 4.128 4.340 0.000 0.000 0.249 432 R C -0.627 175.676 176.300 0.005 0.000 0.949 432 R CA 0.697 56.801 56.100 0.007 0.000 0.645 432 R CB -1.882 28.425 30.300 0.012 0.000 1.065 432 R HN 0.061 nan 8.270 nan 0.000 0.452 433 K N 0.099 120.501 120.400 0.002 0.000 2.313 433 K HA 0.402 4.723 4.320 0.000 0.000 0.235 433 K C 0.617 177.215 176.600 -0.004 0.000 1.035 433 K CA -0.522 55.765 56.287 -0.000 0.000 0.868 433 K CB 1.244 33.744 32.500 -0.001 0.000 1.232 433 K HN 0.204 nan 8.250 nan 0.000 0.459 434 T N -1.595 112.955 114.554 -0.007 0.000 2.860 434 T HA 0.104 4.454 4.350 0.000 0.000 0.299 434 T C 1.531 176.226 174.700 -0.010 0.000 1.045 434 T CA -0.622 61.471 62.100 -0.011 0.000 1.071 434 T CB 0.290 69.151 68.868 -0.013 0.000 0.985 434 T HN 0.332 nan 8.240 nan 0.000 0.537 435 I N 0.741 121.304 120.570 -0.012 0.000 2.264 435 I HA -0.107 4.063 4.170 0.000 0.000 0.248 435 I C 2.663 178.774 176.117 -0.010 0.000 1.111 435 I CA 1.435 62.728 61.300 -0.010 0.000 1.382 435 I CB -1.254 36.739 38.000 -0.012 0.000 1.060 435 I HN 0.841 nan 8.210 nan 0.000 0.418 436 R N 0.695 121.188 120.500 -0.011 0.000 2.075 436 R HA -0.221 4.119 4.340 0.000 0.000 0.232 436 R C 2.240 178.535 176.300 -0.009 0.000 1.126 436 R CA 1.531 57.625 56.100 -0.011 0.000 0.963 436 R CB -0.059 30.234 30.300 -0.012 0.000 0.858 436 R HN 0.240 nan 8.270 nan 0.000 0.435 437 Q N -0.213 119.582 119.800 -0.007 0.000 2.172 437 Q HA -0.042 4.298 4.340 0.000 0.000 0.200 437 Q C 1.606 177.603 176.000 -0.004 0.000 0.964 437 Q CA 2.019 57.819 55.803 -0.005 0.000 0.855 437 Q CB 0.003 28.738 28.738 -0.004 0.000 0.918 437 Q HN 0.274 nan 8.270 nan 0.000 0.444 438 T N -0.628 113.923 114.554 -0.005 0.000 2.821 438 T HA -0.088 4.262 4.350 0.000 0.000 0.267 438 T C 1.720 176.417 174.700 -0.004 0.000 1.046 438 T CA 1.242 63.340 62.100 -0.003 0.000 1.139 438 T CB -0.269 68.598 68.868 -0.003 0.000 0.871 438 T HN 0.076 nan 8.240 nan 0.000 0.454 439 V N 1.372 121.282 119.914 -0.006 0.000 2.343 439 V HA -0.123 3.997 4.120 0.000 0.000 0.247 439 V C 2.320 178.410 176.094 -0.006 0.000 1.051 439 V CA 1.474 63.770 62.300 -0.007 0.000 1.036 439 V CB -0.509 31.308 31.823 -0.009 0.000 0.654 439 V HN 0.499 nan 8.190 nan 0.000 0.451 440 I N -0.034 120.533 120.570 -0.006 0.000 2.439 440 I HA -0.178 3.992 4.170 0.000 0.000 0.251 440 I C 1.987 178.102 176.117 -0.004 0.000 1.139 440 I CA 1.316 62.612 61.300 -0.005 0.000 1.438 440 I CB -0.398 37.599 38.000 -0.005 0.000 1.085 440 I HN 0.298 nan 8.210 nan 0.000 0.427 441 D N 0.714 121.113 120.400 -0.003 0.000 2.224 441 D HA -0.067 4.573 4.640 0.000 0.000 0.205 441 D C 2.064 178.363 176.300 -0.002 0.000 0.965 441 D CA 0.829 54.828 54.000 -0.002 0.000 0.852 441 D CB -0.084 40.716 40.800 -0.001 0.000 0.947 441 D HN 0.204 nan 8.370 nan 0.000 0.494 442 R N -0.288 120.211 120.500 -0.002 0.000 2.313 442 R HA 0.181 4.521 4.340 0.000 0.000 0.199 442 R C 0.928 177.226 176.300 -0.002 0.000 0.958 442 R CA 0.492 56.591 56.100 -0.002 0.000 1.047 442 R CB 0.256 30.555 30.300 -0.002 0.000 0.955 442 R HN 0.093 nan 8.270 nan 0.000 0.481 443 G N 1.278 110.077 108.800 -0.003 0.000 2.246 443 G HA2 -0.213 3.747 3.960 0.000 0.000 0.273 443 G HA3 -0.213 3.747 3.960 0.000 0.000 0.273 443 G C 0.332 175.230 174.900 -0.004 0.000 1.055 443 G CA -0.278 44.821 45.100 -0.003 0.000 0.851 443 G HN 0.145 nan 8.290 nan 0.000 0.500 444 L N -0.285 120.935 121.223 -0.005 0.000 2.558 444 L HA 0.423 4.763 4.340 0.000 0.000 0.225 444 L C 1.835 178.700 176.870 -0.008 0.000 1.128 444 L CA 0.160 54.996 54.840 -0.007 0.000 0.868 444 L CB -0.187 41.867 42.059 -0.008 0.000 1.006 444 L HN 0.480 nan 8.230 nan 0.000 0.454 445 I N -0.348 120.217 120.570 -0.007 0.000 2.472 445 I HA 0.452 4.623 4.170 0.000 0.000 0.290 445 I C 0.766 176.879 176.117 -0.007 0.000 1.016 445 I CA -0.053 61.242 61.300 -0.008 0.000 1.348 445 I CB 0.706 38.702 38.000 -0.007 0.000 1.417 445 I HN 0.313 nan 8.210 nan 0.000 0.521 446 G N 4.473 113.269 108.800 -0.007 0.000 2.719 446 G HA2 -0.047 3.913 3.960 0.000 0.000 0.686 446 G HA3 -0.047 3.913 3.960 0.000 0.000 0.686 446 G C -0.824 174.072 174.900 -0.007 0.000 1.201 446 G CA -0.631 44.465 45.100 -0.006 0.000 0.768 446 G HN 0.796 nan 8.290 nan 0.000 0.629 450 S N 1.670 117.363 115.700 -0.011 0.000 2.686 450 S HA 0.604 5.074 4.470 0.000 0.000 0.270 450 S C 0.906 175.500 174.600 -0.010 0.000 1.194 450 S CA -0.514 57.680 58.200 -0.009 0.000 0.990 450 S CB 1.338 64.533 63.200 -0.009 0.000 1.029 450 S HN 0.627 nan 8.310 nan 0.000 0.560 451 I N 0.463 121.028 120.570 -0.008 0.000 2.617 451 I HA 0.043 4.213 4.170 0.000 0.000 0.256 451 I C 2.097 178.209 176.117 -0.009 0.000 1.167 451 I CA 0.998 62.293 61.300 -0.009 0.000 1.469 451 I CB -0.921 37.075 38.000 -0.007 0.000 1.098 451 I HN 0.581 nan 8.210 nan 0.000 0.436 452 E N 0.463 120.657 120.200 -0.008 0.000 2.216 452 E HA -0.167 4.183 4.350 0.000 0.000 0.192 452 E C 1.586 178.180 176.600 -0.010 0.000 0.988 452 E CA 0.828 57.223 56.400 -0.008 0.000 0.834 452 E CB -0.186 29.510 29.700 -0.007 0.000 0.772 452 E HN 0.418 nan 8.360 nan 0.000 0.479 453 D N -0.159 120.234 120.400 -0.011 0.000 2.194 453 D HA -0.026 4.614 4.640 0.000 0.000 0.204 453 D C 1.601 177.892 176.300 -0.015 0.000 0.964 453 D CA 0.445 54.438 54.000 -0.013 0.000 0.846 453 D CB 0.139 40.931 40.800 -0.014 0.000 0.962 453 D HN 0.069 nan 8.370 nan 0.000 0.490 454 L N 0.190 121.405 121.223 -0.014 0.000 2.141 454 L HA -0.129 4.212 4.340 0.000 0.000 0.209 454 L C 1.012 177.873 176.870 -0.015 0.000 1.094 454 L CA 1.383 56.214 54.840 -0.015 0.000 0.763 454 L CB -0.046 42.005 42.059 -0.013 0.000 0.908 454 L HN 0.035 nan 8.230 nan 0.000 0.437 455 D N -0.766 119.627 120.400 -0.013 0.000 2.271 455 D HA -0.086 4.554 4.640 0.000 0.000 0.206 455 D C 2.177 178.469 176.300 -0.014 0.000 0.967 455 D CA 0.513 54.505 54.000 -0.013 0.000 0.867 455 D CB 0.166 40.959 40.800 -0.011 0.000 0.960 455 D HN 0.110 nan 8.370 nan 0.000 0.509 456 R N 0.363 120.855 120.500 -0.013 0.000 2.096 456 R HA 0.045 4.386 4.340 0.000 0.000 0.235 456 R C 2.126 178.417 176.300 -0.016 0.000 1.127 456 R CA 1.113 57.205 56.100 -0.013 0.000 0.968 456 R CB 0.196 30.488 30.300 -0.013 0.000 0.861 456 R HN 0.070 nan 8.270 nan 0.000 0.440 457 R N -1.013 119.476 120.500 -0.017 0.000 2.127 457 R HA 0.034 4.375 4.340 0.000 0.000 0.217 457 R C 0.649 176.938 176.300 -0.019 0.000 1.074 457 R CA 0.504 56.593 56.100 -0.020 0.000 0.991 457 R CB 0.129 30.416 30.300 -0.023 0.000 0.895 457 R HN 0.048 nan 8.270 nan 0.000 0.450 458 L N 1.455 122.667 121.223 -0.018 0.000 2.783 458 L HA 0.118 4.459 4.340 0.000 0.000 0.236 458 L C -0.190 176.669 176.870 -0.020 0.000 1.225 458 L CA 0.201 55.030 54.840 -0.019 0.000 1.026 458 L CB -0.024 42.025 42.059 -0.018 0.000 1.314 458 L HN -0.040 nan 8.230 nan 0.000 0.489 459 D N -0.130 120.258 120.400 -0.020 0.000 2.402 459 D HA 0.026 4.666 4.640 0.000 0.000 0.235 459 D C 1.545 177.830 176.300 -0.025 0.000 1.226 459 D CA 0.064 54.052 54.000 -0.021 0.000 0.918 459 D CB 1.094 41.883 40.800 -0.019 0.000 1.043 459 D HN 0.144 nan 8.370 nan 0.000 0.506 460 V N 2.789 122.686 119.914 -0.028 0.000 2.515 460 V HA -0.169 3.951 4.120 0.000 0.000 0.250 460 V C 2.189 178.260 176.094 -0.038 0.000 1.058 460 V CA 0.734 63.014 62.300 -0.033 0.000 1.064 460 V CB -0.752 31.049 31.823 -0.037 0.000 0.675 460 V HN 0.419 nan 8.190 nan 0.000 0.461 461 L N 1.499 122.698 121.223 -0.041 0.000 2.141 461 L HA 0.182 4.522 4.340 0.000 0.000 0.209 461 L C 2.551 179.393 176.870 -0.047 0.000 1.094 461 L CA 2.079 56.888 54.840 -0.051 0.000 0.763 461 L CB -1.012 41.015 42.059 -0.052 0.000 0.908 461 L HN 0.313 nan 8.230 nan 0.000 0.437 462 A N -0.998 121.802 122.820 -0.033 0.000 1.968 462 A HA -0.144 4.176 4.320 0.000 0.000 0.217 462 A C 2.236 179.805 177.584 -0.024 0.000 1.169 462 A CA 1.588 53.609 52.037 -0.026 0.000 0.638 462 A CB -0.470 18.519 19.000 -0.019 0.000 0.812 462 A HN 0.487 nan 8.150 nan 0.000 0.446 463 M N -0.440 119.145 119.600 -0.025 0.000 2.213 463 M HA -0.132 4.348 4.480 0.000 0.000 0.263 463 M C 2.294 178.580 176.300 -0.023 0.000 1.062 463 M CA 1.301 56.588 55.300 -0.021 0.000 1.105 463 M CB -0.297 32.291 32.600 -0.021 0.000 1.385 463 M HN 0.465 nan 8.290 nan 0.000 0.417 464 A N -0.108 122.692 122.820 -0.033 0.000 2.168 464 A HA -0.057 4.263 4.320 0.000 0.000 0.215 464 A C 0.836 178.400 177.584 -0.033 0.000 1.152 464 A CA 0.565 52.580 52.037 -0.036 0.000 0.716 464 A CB -0.312 18.657 19.000 -0.052 0.000 0.794 464 A HN 0.513 nan 8.150 nan 0.000 0.465 465 K N -1.351 119.031 120.400 -0.029 0.000 3.372 465 K HA -0.153 4.167 4.320 0.000 0.000 0.272 465 K C 0.518 177.103 176.600 -0.025 0.000 1.037 465 K CA 0.033 56.309 56.287 -0.019 0.000 0.777 465 K CB -2.483 30.014 32.500 -0.006 0.000 1.347 465 K HN 1.044 nan 8.250 nan 0.000 0.460 466 A N 0.000 122.784 122.820 -0.060 0.000 2.254 466 A HA 0.000 4.320 4.320 0.000 0.000 0.244 466 A CA 0.000 51.980 52.037 -0.094 0.000 0.836 466 A CB 0.000 18.957 19.000 -0.071 0.000 0.831 466 A HN 0.000 nan 8.150 nan 0.000 0.486