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 1qo5_1_E DATA FIRST_RESID 1 DATA SEQUENCE AHRFPALTQE QKKELSEIAQ SIVANGKGIL AADESVGTMG NRLQRIKVEN DATA SEQUENCE TEENRRQFRE ILFSVDSSIN QSIGGVILFH ETLYQKDSQG KLFRNILKEK DATA SEQUENCE GIVVGIKLDQ GGAPLAGTNK ETTIQGLDGL SERCAQYKKD GVDFGKWRAV DATA SEQUENCE LRIADQCPSS LAIQENANAL ARYASICQQN GLVPIVEPEV IPDGDHDLEH DATA SEQUENCE CQYVTEKVLA AVYKALNDHH VYLEGTLLKP NMVTAGHACT KKYTPEQVAM DATA SEQUENCE ATVTALHRTV PAAVPGICFL SGGMSEEDAT LNLNAINLCP LPKPWKLSFS DATA SEQUENCE YGRALQASAL AAWGGKAANK EATQEAFMKR AMANCQAAKG QYVHTGSSGA DATA SEQUENCE ASTQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.687 177.584 0.171 0.000 1.274 1 A CA 0.000 52.224 52.037 0.312 0.000 0.836 1 A CB 0.000 19.122 19.000 0.203 0.000 0.831 2 H N -0.071 119.054 119.070 0.092 0.000 2.814 2 H HA -0.077 4.479 4.556 -0.000 0.000 0.281 2 H C 0.923 176.436 175.328 0.308 0.000 0.789 2 H CA 2.223 58.360 56.048 0.149 0.000 0.895 2 H CB 0.037 29.880 29.762 0.136 0.000 1.522 2 H HN 2.022 nan 8.280 nan 0.000 0.294 3 R N 2.232 122.844 120.500 0.186 0.000 3.762 3 R HA -0.148 4.192 4.340 -0.000 0.000 0.328 3 R C -1.726 174.421 176.300 -0.255 0.000 1.164 3 R CA 1.607 57.700 56.100 -0.012 0.000 0.861 3 R CB -2.080 28.164 30.300 -0.092 0.000 1.408 3 R HN 0.457 nan 8.270 nan 0.000 0.502 4 F N 1.474 121.371 119.950 -0.088 0.000 2.872 4 F HA 0.402 4.928 4.527 -0.000 0.000 0.365 4 F C -1.592 174.127 175.800 -0.136 0.000 1.296 4 F CA -1.488 56.463 58.000 -0.082 0.000 1.199 4 F CB 1.311 40.274 39.000 -0.061 0.000 1.687 4 F HN -0.087 nan 8.300 nan 0.000 0.604 5 P HA 0.041 nan 4.420 nan 0.000 0.264 5 P C 0.433 177.706 177.300 -0.045 0.000 1.179 5 P CA 0.248 63.310 63.100 -0.063 0.000 0.763 5 P CB 1.316 32.973 31.700 -0.072 0.000 0.806 6 A N 3.674 126.457 122.820 -0.062 0.000 1.930 6 A HA 0.099 4.419 4.320 -0.000 0.000 0.215 6 A C 1.116 178.677 177.584 -0.039 0.000 1.176 6 A CA 0.921 52.944 52.037 -0.024 0.000 0.632 6 A CB -0.324 18.687 19.000 0.020 0.000 0.819 6 A HN 0.540 nan 8.150 nan 0.000 0.445 7 L N -0.628 120.547 121.223 -0.080 0.000 2.333 7 L HA 0.427 4.767 4.340 -0.000 0.000 0.263 7 L C 0.394 177.188 176.870 -0.128 0.000 1.014 7 L CA -0.810 53.962 54.840 -0.113 0.000 0.820 7 L CB 2.199 44.142 42.059 -0.194 0.000 1.352 7 L HN 0.241 nan 8.230 nan 0.000 0.421 8 T N -2.780 111.707 114.554 -0.111 0.000 2.849 8 T HA 0.136 4.486 4.350 -0.000 0.000 0.284 8 T C 0.787 175.405 174.700 -0.137 0.000 1.004 8 T CA -0.651 61.388 62.100 -0.102 0.000 1.021 8 T CB 1.152 69.978 68.868 -0.070 0.000 1.013 8 T HN 0.503 nan 8.240 nan 0.000 0.527 9 Q N 0.361 120.096 119.800 -0.108 0.000 2.181 9 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 9 Q C 2.129 178.073 176.000 -0.092 0.000 0.980 9 Q CA 2.003 57.743 55.803 -0.105 0.000 0.862 9 Q CB -0.330 28.370 28.738 -0.063 0.000 0.905 9 Q HN 0.990 nan 8.270 nan 0.000 0.429 10 E N 0.602 120.759 120.200 -0.070 0.000 2.107 10 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 10 E C 1.705 178.271 176.600 -0.056 0.000 0.982 10 E CA 0.701 57.071 56.400 -0.050 0.000 0.809 10 E CB 0.056 29.736 29.700 -0.033 0.000 0.756 10 E HN 0.421 nan 8.360 nan 0.000 0.459 11 Q N 0.602 120.357 119.800 -0.075 0.000 2.084 11 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 11 Q C 2.220 178.160 176.000 -0.101 0.000 0.978 11 Q CA 2.050 57.810 55.803 -0.072 0.000 0.844 11 Q CB -0.045 28.641 28.738 -0.087 0.000 0.898 11 Q HN 0.274 nan 8.270 nan 0.000 0.426 12 K N 0.825 121.084 120.400 -0.235 0.000 2.148 12 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 12 K C 1.981 178.587 176.600 0.011 0.000 1.050 12 K CA 0.943 57.031 56.287 -0.332 0.000 0.942 12 K CB -0.114 31.780 32.500 -1.009 0.000 0.724 12 K HN 0.052 nan 8.250 nan 0.000 0.446 13 K N 1.921 122.317 120.400 -0.008 0.000 2.044 13 K HA -0.270 4.050 4.320 -0.000 0.000 0.210 13 K C 2.298 178.928 176.600 0.049 0.000 1.049 13 K CA 2.004 58.314 56.287 0.038 0.000 0.927 13 K CB 0.014 32.520 32.500 0.009 0.000 0.713 13 K HN 0.279 nan 8.250 nan 0.000 0.443 14 E N 0.581 120.801 120.200 0.032 0.000 2.047 14 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 14 E C 2.175 178.809 176.600 0.057 0.000 0.987 14 E CA 1.082 57.504 56.400 0.036 0.000 0.799 14 E CB -0.187 29.527 29.700 0.023 0.000 0.752 14 E HN 0.333 nan 8.360 nan 0.000 0.449 15 L N 0.819 122.089 121.223 0.079 0.000 2.012 15 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 15 L C 2.906 179.847 176.870 0.118 0.000 1.073 15 L CA 1.416 56.323 54.840 0.110 0.000 0.748 15 L CB -0.624 41.531 42.059 0.160 0.000 0.891 15 L HN 0.180 nan 8.230 nan 0.000 0.431 16 S N -0.578 115.225 115.700 0.171 0.000 2.382 16 S HA -0.214 4.256 4.470 -0.000 0.000 0.228 16 S C 1.906 176.531 174.600 0.042 0.000 1.027 16 S CA 1.483 59.743 58.200 0.100 0.000 0.991 16 S CB -0.095 63.186 63.200 0.135 0.000 0.823 16 S HN 0.413 nan 8.310 nan 0.000 0.469 17 E N 0.346 120.572 120.200 0.043 0.000 2.077 17 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 17 E C 1.937 178.541 176.600 0.006 0.000 0.989 17 E CA 1.310 57.721 56.400 0.019 0.000 0.800 17 E CB -0.136 29.576 29.700 0.021 0.000 0.746 17 E HN 0.547 nan 8.360 nan 0.000 0.452 18 I N 0.744 121.323 120.570 0.016 0.000 2.090 18 I HA -0.289 3.881 4.170 -0.000 0.000 0.236 18 I C 2.550 178.642 176.117 -0.043 0.000 1.064 18 I CA 1.063 62.368 61.300 0.007 0.000 1.324 18 I CB -0.471 37.557 38.000 0.046 0.000 1.044 18 I HN 0.115 nan 8.210 nan 0.000 0.399 19 A N 0.298 123.089 122.820 -0.048 0.000 1.873 19 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 19 A C 2.254 179.777 177.584 -0.102 0.000 1.193 19 A CA 1.909 53.887 52.037 -0.099 0.000 0.629 19 A CB -0.874 18.080 19.000 -0.077 0.000 0.826 19 A HN 0.516 nan 8.150 nan 0.000 0.447 20 Q N -0.111 119.651 119.800 -0.063 0.000 2.170 20 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 20 Q C 2.398 178.357 176.000 -0.068 0.000 0.976 20 Q CA 1.727 57.494 55.803 -0.061 0.000 0.858 20 Q CB -0.267 28.449 28.738 -0.036 0.000 0.907 20 Q HN 0.883 nan 8.270 nan 0.000 0.433 21 S N 0.282 115.945 115.700 -0.061 0.000 2.423 21 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 21 S C 1.837 176.381 174.600 -0.093 0.000 1.014 21 S CA 0.623 58.788 58.200 -0.059 0.000 0.965 21 S CB -0.344 62.834 63.200 -0.036 0.000 0.785 21 S HN 0.326 nan 8.310 nan 0.000 0.495 22 I N 1.880 122.362 120.570 -0.147 0.000 2.493 22 I HA -0.044 4.126 4.170 -0.000 0.000 0.254 22 I C 1.346 177.340 176.117 -0.204 0.000 1.160 22 I CA 0.933 62.106 61.300 -0.212 0.000 1.445 22 I CB -0.092 37.690 38.000 -0.365 0.000 1.086 22 I HN 0.393 nan 8.210 nan 0.000 0.433 23 V N -2.740 117.072 119.914 -0.170 0.000 2.915 23 V HA 0.507 4.627 4.120 -0.000 0.000 0.364 23 V C 1.541 177.574 176.094 -0.101 0.000 1.354 23 V CA 0.098 62.297 62.300 -0.169 0.000 1.213 23 V CB -0.198 31.518 31.823 -0.178 0.000 1.268 23 V HN 0.125 nan 8.190 nan 0.000 0.557 24 A N 1.718 124.489 122.820 -0.082 0.000 1.930 24 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 24 A C 1.020 178.586 177.584 -0.031 0.000 1.175 24 A CA 1.869 53.877 52.037 -0.048 0.000 0.627 24 A CB -0.440 18.538 19.000 -0.037 0.000 0.815 24 A HN 0.756 nan 8.150 nan 0.000 0.443 25 N N -2.517 116.168 118.700 -0.025 0.000 2.700 25 N HA 0.429 5.169 4.740 -0.000 0.000 0.242 25 N C 0.224 175.742 175.510 0.014 0.000 1.541 25 N CA 0.354 53.403 53.050 -0.001 0.000 0.764 25 N CB 1.179 39.669 38.487 0.005 0.000 1.319 25 N HN 0.434 nan 8.380 nan 0.000 0.518 26 G N 0.460 109.265 108.800 0.009 0.000 2.162 26 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 26 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 26 G C 0.061 174.981 174.900 0.033 0.000 0.976 26 G CA 0.189 45.313 45.100 0.039 0.000 0.655 26 G HN 0.360 nan 8.290 nan 0.000 0.533 27 K N 0.342 120.725 120.400 -0.028 0.000 2.219 27 K HA 0.504 4.824 4.320 -0.000 0.000 0.258 27 K C 1.051 177.462 176.600 -0.315 0.000 1.008 27 K CA 0.259 56.508 56.287 -0.064 0.000 0.928 27 K CB 0.900 33.355 32.500 -0.075 0.000 0.983 27 K HN 0.306 nan 8.250 nan 0.000 0.484 28 G N 0.656 109.058 108.800 -0.663 0.000 3.217 28 G HA2 0.689 4.649 3.960 -0.000 0.000 0.213 28 G HA3 0.689 4.649 3.960 -0.000 0.000 0.213 28 G C -0.969 173.442 174.900 -0.814 0.000 1.294 28 G CA -0.802 43.280 45.100 -1.696 0.000 0.987 28 G HN 0.472 nan 8.290 nan 0.000 0.584 29 I N 0.309 120.465 120.570 -0.689 0.000 2.534 29 I HA 0.252 4.422 4.170 -0.000 0.000 0.288 29 I C -1.174 175.035 176.117 0.152 0.000 1.077 29 I CA -0.661 60.547 61.300 -0.153 0.000 1.051 29 I CB 2.355 40.249 38.000 -0.176 0.000 1.234 29 I HN 0.311 nan 8.210 nan 0.000 0.425 30 L N 7.000 128.367 121.223 0.240 0.000 2.319 30 L HA 0.596 4.936 4.340 -0.000 0.000 0.280 30 L C 0.246 177.245 176.870 0.216 0.000 1.099 30 L CA 0.184 55.204 54.840 0.300 0.000 0.828 30 L CB 1.093 43.327 42.059 0.291 0.000 1.150 30 L HN 0.680 nan 8.230 nan 0.000 0.442 31 A N 5.192 128.145 122.820 0.220 0.000 2.880 31 A HA 0.669 4.989 4.320 -0.000 0.000 0.328 31 A C 0.657 178.323 177.584 0.137 0.000 1.440 31 A CA 0.069 52.210 52.037 0.174 0.000 1.068 31 A CB -0.286 18.823 19.000 0.182 0.000 1.163 31 A HN 1.051 nan 8.150 nan 0.000 0.510 32 A N 2.242 125.136 122.820 0.125 0.000 2.640 32 A HA 0.307 4.627 4.320 -0.000 0.000 0.282 32 A C 0.545 178.200 177.584 0.118 0.000 1.357 32 A CA 0.228 52.335 52.037 0.116 0.000 0.946 32 A CB -0.265 18.840 19.000 0.176 0.000 1.065 32 A HN 0.680 nan 8.150 nan 0.000 0.541 33 D N -0.290 120.174 120.400 0.106 0.000 2.561 33 D HA 0.105 4.745 4.640 -0.000 0.000 0.232 33 D C -0.563 175.776 176.300 0.064 0.000 1.198 33 D CA -0.213 53.869 54.000 0.137 0.000 0.826 33 D CB -0.162 40.722 40.800 0.140 0.000 0.992 33 D HN 0.343 nan 8.370 nan 0.000 0.490 34 E N 0.999 121.189 120.200 -0.017 0.000 2.384 34 E HA 0.157 4.507 4.350 -0.000 0.000 0.266 34 E C 0.739 177.098 176.600 -0.401 0.000 1.012 34 E CA -0.236 56.085 56.400 -0.132 0.000 0.901 34 E CB 0.680 30.325 29.700 -0.093 0.000 0.967 34 E HN 0.277 nan 8.360 nan 0.000 0.435 35 S N 1.594 116.971 115.700 -0.537 0.000 2.606 35 S HA 0.034 4.504 4.470 -0.000 0.000 0.257 35 S C 1.262 175.493 174.600 -0.615 0.000 1.327 35 S CA -0.689 56.911 58.200 -1.000 0.000 0.984 35 S CB 0.770 63.675 63.200 -0.490 0.000 0.941 35 S HN 0.308 nan 8.310 nan 0.000 0.576 36 V N 2.120 121.726 119.914 -0.513 0.000 2.287 36 V HA -0.106 4.014 4.120 -0.000 0.000 0.248 36 V C 2.792 178.801 176.094 -0.142 0.000 1.053 36 V CA 2.481 64.655 62.300 -0.209 0.000 1.027 36 V CB -1.830 29.957 31.823 -0.059 0.000 0.646 36 V HN 1.063 nan 8.190 nan 0.000 0.447 37 G N -0.838 107.883 108.800 -0.130 0.000 2.422 37 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 37 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 37 G C 1.647 176.488 174.900 -0.098 0.000 1.146 37 G CA 1.537 46.583 45.100 -0.090 0.000 0.769 37 G HN 0.502 nan 8.290 nan 0.000 0.547 38 T N 0.611 115.088 114.554 -0.128 0.000 3.014 38 T HA 0.008 4.358 4.350 -0.000 0.000 0.263 38 T C 2.236 176.879 174.700 -0.096 0.000 1.078 38 T CA 1.022 63.060 62.100 -0.104 0.000 1.135 38 T CB -0.054 68.746 68.868 -0.113 0.000 0.895 38 T HN 0.152 nan 8.240 nan 0.000 0.480 39 M N 2.000 121.528 119.600 -0.119 0.000 2.175 39 M HA 0.163 4.643 4.480 -0.000 0.000 0.264 39 M C 2.283 178.541 176.300 -0.069 0.000 1.063 39 M CA 1.081 56.326 55.300 -0.091 0.000 1.119 39 M CB -1.119 31.422 32.600 -0.098 0.000 1.377 39 M HN 0.245 nan 8.290 nan 0.000 0.415 40 G N 0.026 108.788 108.800 -0.064 0.000 2.440 40 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 40 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 40 G C 1.493 176.364 174.900 -0.048 0.000 1.154 40 G CA 1.108 46.181 45.100 -0.045 0.000 0.767 40 G HN 0.471 nan 8.290 nan 0.000 0.552 41 N N 0.494 119.162 118.700 -0.054 0.000 2.120 41 N HA -0.062 4.678 4.740 -0.000 0.000 0.188 41 N C 2.397 177.875 175.510 -0.054 0.000 1.024 41 N CA 0.719 53.740 53.050 -0.049 0.000 0.852 41 N CB -0.246 38.212 38.487 -0.048 0.000 1.003 41 N HN 0.211 nan 8.380 nan 0.000 0.424 42 R N 0.867 121.328 120.500 -0.065 0.000 2.073 42 R HA 0.019 4.359 4.340 -0.000 0.000 0.234 42 R C 2.296 178.544 176.300 -0.086 0.000 1.134 42 R CA 0.612 56.665 56.100 -0.079 0.000 0.952 42 R CB -1.103 29.138 30.300 -0.099 0.000 0.850 42 R HN 0.312 nan 8.270 nan 0.000 0.433 43 L N 1.165 122.341 121.223 -0.078 0.000 2.275 43 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 43 L C 2.648 179.486 176.870 -0.053 0.000 1.119 43 L CA 0.773 55.578 54.840 -0.058 0.000 0.790 43 L CB -0.382 41.665 42.059 -0.021 0.000 0.919 43 L HN 0.106 nan 8.230 nan 0.000 0.443 44 Q N 0.946 120.716 119.800 -0.049 0.000 2.050 44 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 44 Q C 2.201 178.173 176.000 -0.047 0.000 0.980 44 Q CA 1.669 57.446 55.803 -0.044 0.000 0.840 44 Q CB -0.174 28.541 28.738 -0.037 0.000 0.898 44 Q HN 0.264 nan 8.270 nan 0.000 0.424 45 R N -0.061 120.411 120.500 -0.047 0.000 2.119 45 R HA -0.147 4.193 4.340 -0.000 0.000 0.246 45 R C 1.626 177.897 176.300 -0.049 0.000 1.146 45 R CA 1.742 57.816 56.100 -0.043 0.000 0.962 45 R CB -0.543 29.731 30.300 -0.043 0.000 0.863 45 R HN 0.527 nan 8.270 nan 0.000 0.442 46 I N -1.903 118.630 120.570 -0.061 0.000 3.850 46 I HA 0.210 4.380 4.170 -0.000 0.000 0.333 46 I C -0.694 175.366 176.117 -0.095 0.000 1.511 46 I CA -0.393 60.863 61.300 -0.073 0.000 1.199 46 I CB 0.162 38.117 38.000 -0.075 0.000 1.217 46 I HN -0.080 nan 8.210 nan 0.000 0.423 47 K N 0.797 121.153 120.400 -0.075 0.000 3.213 47 K HA -0.134 4.186 4.320 -0.000 0.000 0.266 47 K C -0.501 176.041 176.600 -0.097 0.000 0.911 47 K CA 0.337 56.579 56.287 -0.076 0.000 0.684 47 K CB -1.341 31.116 32.500 -0.071 0.000 1.402 47 K HN 0.432 nan 8.250 nan 0.000 0.465 48 V N 0.692 120.548 119.914 -0.096 0.000 2.513 48 V HA 0.153 4.273 4.120 -0.000 0.000 0.299 48 V C 0.492 176.558 176.094 -0.047 0.000 1.035 48 V CA -0.818 61.419 62.300 -0.105 0.000 0.889 48 V CB 1.734 33.474 31.823 -0.138 0.000 0.988 48 V HN 0.290 nan 8.190 nan 0.000 0.440 49 E N 3.961 124.139 120.200 -0.037 0.000 2.344 49 E HA 0.026 4.376 4.350 -0.000 0.000 0.270 49 E C 0.248 176.857 176.600 0.015 0.000 1.021 49 E CA -0.184 56.209 56.400 -0.012 0.000 0.887 49 E CB 0.466 30.160 29.700 -0.010 0.000 0.997 49 E HN 0.743 nan 8.360 nan 0.000 0.429 50 N N 4.227 122.932 118.700 0.009 0.000 2.739 50 N HA 0.005 4.745 4.740 -0.000 0.000 0.266 50 N C -1.161 174.367 175.510 0.031 0.000 1.168 50 N CA 0.043 53.104 53.050 0.018 0.000 1.055 50 N CB 0.492 38.979 38.487 -0.001 0.000 1.393 50 N HN 0.282 nan 8.380 nan 0.000 0.514 51 T N 1.213 115.799 114.554 0.053 0.000 2.855 51 T HA 0.060 4.410 4.350 -0.000 0.000 0.281 51 T C 1.162 175.911 174.700 0.081 0.000 1.007 51 T CA -0.583 61.553 62.100 0.061 0.000 1.009 51 T CB 1.827 70.732 68.868 0.062 0.000 0.983 51 T HN 0.543 nan 8.240 nan 0.000 0.455 52 E N 2.077 122.325 120.200 0.080 0.000 2.086 52 E HA -0.254 4.096 4.350 -0.000 0.000 0.200 52 E C 1.561 178.230 176.600 0.114 0.000 1.012 52 E CA 1.955 58.415 56.400 0.100 0.000 0.812 52 E CB 0.061 29.822 29.700 0.102 0.000 0.743 52 E HN 0.698 nan 8.360 nan 0.000 0.453 53 E N 0.626 120.890 120.200 0.106 0.000 2.110 53 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 53 E C 1.793 178.488 176.600 0.159 0.000 0.988 53 E CA 1.704 58.176 56.400 0.120 0.000 0.804 53 E CB -0.167 29.594 29.700 0.101 0.000 0.745 53 E HN 0.245 nan 8.360 nan 0.000 0.458 54 N N 0.335 119.139 118.700 0.174 0.000 2.058 54 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 54 N C 1.774 177.425 175.510 0.235 0.000 1.037 54 N CA 1.375 54.592 53.050 0.278 0.000 0.848 54 N CB -0.290 38.343 38.487 0.243 0.000 1.021 54 N HN 0.182 nan 8.380 nan 0.000 0.422 55 R N 0.707 121.299 120.500 0.154 0.000 2.094 55 R HA -0.127 4.213 4.340 -0.000 0.000 0.239 55 R C 2.258 178.617 176.300 0.098 0.000 1.137 55 R CA 1.323 57.489 56.100 0.109 0.000 0.943 55 R CB -0.397 29.961 30.300 0.097 0.000 0.850 55 R HN 0.288 nan 8.270 nan 0.000 0.433 56 R N 1.134 121.717 120.500 0.139 0.000 2.127 56 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 56 R C 2.064 178.428 176.300 0.106 0.000 1.134 56 R CA 1.696 57.910 56.100 0.190 0.000 0.975 56 R CB 0.003 30.427 30.300 0.207 0.000 0.865 56 R HN 0.358 nan 8.270 nan 0.000 0.447 57 Q N -0.944 118.893 119.800 0.062 0.000 2.137 57 Q HA -0.112 4.228 4.340 -0.000 0.000 0.198 57 Q C 1.751 177.574 176.000 -0.295 0.000 0.960 57 Q CA 1.135 56.940 55.803 0.003 0.000 0.847 57 Q CB -0.070 28.774 28.738 0.175 0.000 0.915 57 Q HN 0.286 nan 8.270 nan 0.000 0.448 58 F N 1.597 121.144 119.950 -0.672 0.000 2.102 58 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 58 F C 1.938 177.246 175.800 -0.820 0.000 1.105 58 F CA 1.558 58.906 58.000 -1.087 0.000 1.239 58 F CB 0.021 38.415 39.000 -1.009 0.000 0.991 58 F HN -0.125 nan 8.300 nan 0.000 0.474 59 R N 0.046 120.051 120.500 -0.825 0.000 2.075 59 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 59 R C 2.268 177.587 176.300 -1.635 0.000 1.126 59 R CA 1.437 56.717 56.100 -1.367 0.000 0.963 59 R CB -0.648 29.073 30.300 -0.966 0.000 0.858 59 R HN 0.393 nan 8.270 nan 0.000 0.435 60 E N 1.043 120.695 120.200 -0.913 0.000 2.097 60 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 60 E C 1.927 178.238 176.600 -0.481 0.000 1.000 60 E CA 1.320 57.425 56.400 -0.491 0.000 0.804 60 E CB -0.048 29.639 29.700 -0.022 0.000 0.740 60 E HN 0.292 nan 8.360 nan 0.000 0.454 61 I N 0.803 121.042 120.570 -0.551 0.000 2.127 61 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 61 I C 2.442 178.266 176.117 -0.488 0.000 1.075 61 I CA 1.064 62.095 61.300 -0.448 0.000 1.334 61 I CB -0.297 37.399 38.000 -0.507 0.000 1.040 61 I HN 0.212 nan 8.210 nan 0.000 0.405 62 L N -0.188 120.516 121.223 -0.866 0.000 2.046 62 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 62 L C 2.459 179.105 176.870 -0.374 0.000 1.077 62 L CA 1.641 56.006 54.840 -0.793 0.000 0.747 62 L CB -0.642 40.634 42.059 -1.305 0.000 0.896 62 L HN 0.218 nan 8.230 nan 0.000 0.432 63 F N -0.384 119.324 119.950 -0.402 0.000 2.558 63 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 63 F C 2.361 178.092 175.800 -0.115 0.000 1.119 63 F CA 0.332 58.179 58.000 -0.256 0.000 1.451 63 F CB -0.265 38.517 39.000 -0.364 0.000 1.091 63 F HN 0.128 nan 8.300 nan 0.000 0.563 64 S N 0.165 115.867 115.700 0.004 0.000 2.660 64 S HA 0.177 4.647 4.470 -0.000 0.000 0.227 64 S C 0.542 175.168 174.600 0.044 0.000 0.948 64 S CA -0.330 57.896 58.200 0.044 0.000 0.948 64 S CB -1.509 61.707 63.200 0.027 0.000 0.779 64 S HN 0.124 nan 8.310 nan 0.000 0.487 65 V N -0.898 119.057 119.914 0.070 0.000 3.503 65 V HA 0.224 4.344 4.120 -0.000 0.000 0.300 65 V C 1.722 177.855 176.094 0.065 0.000 1.099 65 V CA 0.017 62.363 62.300 0.077 0.000 1.117 65 V CB 0.075 31.977 31.823 0.131 0.000 1.122 65 V HN 0.258 nan 8.190 nan 0.000 0.476 66 D N 0.722 121.149 120.400 0.045 0.000 2.154 66 D HA -0.278 4.362 4.640 -0.000 0.000 0.190 66 D C 1.629 177.950 176.300 0.036 0.000 1.003 66 D CA 3.443 57.463 54.000 0.032 0.000 0.849 66 D CB 0.087 40.898 40.800 0.018 0.000 0.942 66 D HN 1.580 nan 8.370 nan 0.000 0.446 67 S N -2.926 112.796 115.700 0.038 0.000 1.473 67 S HA -0.182 4.288 4.470 -0.000 0.000 0.249 67 S C 1.229 175.844 174.600 0.024 0.000 0.915 67 S CA 1.172 59.394 58.200 0.036 0.000 1.122 67 S CB -2.326 60.892 63.200 0.031 0.000 1.303 67 S HN 0.373 nan 8.310 nan 0.000 0.516 68 S N 1.135 116.844 115.700 0.015 0.000 2.593 68 S HA 0.365 4.834 4.470 -0.000 0.000 0.217 68 S C 1.375 175.975 174.600 0.001 0.000 0.966 68 S CA 0.398 58.602 58.200 0.007 0.000 0.914 68 S CB -0.054 63.147 63.200 0.002 0.000 0.776 68 S HN 0.686 nan 8.310 nan 0.000 0.523 69 I N 4.350 124.923 120.570 0.005 0.000 2.530 69 I HA -0.137 4.033 4.170 -0.000 0.000 0.257 69 I C 1.179 177.310 176.117 0.024 0.000 1.179 69 I CA 0.572 61.870 61.300 -0.003 0.000 1.440 69 I CB -0.963 37.060 38.000 0.039 0.000 1.087 69 I HN 0.501 nan 8.210 nan 0.000 0.440 70 N N -0.373 118.344 118.700 0.029 0.000 2.362 70 N HA -0.063 4.677 4.740 -0.000 0.000 0.211 70 N C 1.218 176.740 175.510 0.020 0.000 1.170 70 N CA 0.326 53.394 53.050 0.029 0.000 0.828 70 N CB -0.457 38.044 38.487 0.024 0.000 1.034 70 N HN 0.497 nan 8.380 nan 0.000 0.475 71 Q N -0.996 118.816 119.800 0.019 0.000 2.396 71 Q HA 0.261 4.601 4.340 -0.000 0.000 0.220 71 Q C 0.833 176.851 176.000 0.030 0.000 0.900 71 Q CA 0.313 56.127 55.803 0.017 0.000 0.925 71 Q CB 0.421 29.166 28.738 0.011 0.000 1.065 71 Q HN 0.356 nan 8.270 nan 0.000 0.535 72 S N -0.448 115.277 115.700 0.043 0.000 2.545 72 S HA 0.216 4.686 4.470 -0.000 0.000 0.232 72 S C 0.355 175.043 174.600 0.147 0.000 1.070 72 S CA -0.029 58.225 58.200 0.091 0.000 0.923 72 S CB 0.798 64.023 63.200 0.043 0.000 0.806 72 S HN 0.093 nan 8.310 nan 0.000 0.506 73 I N 1.960 122.589 120.570 0.098 0.000 2.330 73 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 73 I C 1.280 177.417 176.117 0.033 0.000 1.001 73 I CA -0.081 61.286 61.300 0.112 0.000 1.193 73 I CB 0.811 38.911 38.000 0.167 0.000 1.345 73 I HN 0.224 nan 8.210 nan 0.000 0.461 74 G N 4.712 113.484 108.800 -0.046 0.000 2.662 74 G HA2 0.324 4.284 3.960 -0.000 0.000 0.212 74 G HA3 0.324 4.284 3.960 -0.000 0.000 0.212 74 G C 0.596 175.470 174.900 -0.043 0.000 1.141 74 G CA 0.255 45.314 45.100 -0.068 0.000 0.797 74 G HN 0.723 nan 8.290 nan 0.000 0.531 75 G N -1.187 107.603 108.800 -0.018 0.000 2.732 75 G HA2 0.465 4.425 3.960 -0.000 0.000 0.296 75 G HA3 0.465 4.425 3.960 -0.000 0.000 0.296 75 G C -2.031 172.970 174.900 0.168 0.000 1.448 75 G CA -0.360 44.796 45.100 0.094 0.000 0.911 75 G HN 0.256 nan 8.290 nan 0.000 0.528 76 V N 2.427 122.467 119.914 0.211 0.000 2.487 76 V HA 0.459 4.579 4.120 -0.000 0.000 0.298 76 V C 0.078 176.217 176.094 0.075 0.000 1.028 76 V CA -0.620 61.741 62.300 0.102 0.000 0.860 76 V CB 1.418 33.186 31.823 -0.092 0.000 0.991 76 V HN 0.650 nan 8.190 nan 0.000 0.427 77 I N 5.782 126.416 120.570 0.106 0.000 2.472 77 I HA 0.440 4.610 4.170 -0.000 0.000 0.290 77 I C -0.341 175.744 176.117 -0.053 0.000 1.016 77 I CA -0.212 61.081 61.300 -0.011 0.000 1.348 77 I CB 1.137 39.197 38.000 0.101 0.000 1.417 77 I HN 0.351 nan 8.210 nan 0.000 0.521 78 L N 4.875 126.016 121.223 -0.137 0.000 2.301 78 L HA 0.524 4.864 4.340 -0.000 0.000 0.264 78 L C -0.635 176.249 176.870 0.023 0.000 1.016 78 L CA -0.779 54.034 54.840 -0.046 0.000 0.821 78 L CB 2.013 43.998 42.059 -0.123 0.000 1.346 78 L HN 0.394 nan 8.230 nan 0.000 0.429 79 F N -0.048 119.888 119.950 -0.023 0.000 2.377 79 F HA 0.276 4.803 4.527 -0.000 0.000 0.328 79 F C 1.705 177.545 175.800 0.067 0.000 1.094 79 F CA 0.007 58.022 58.000 0.025 0.000 1.093 79 F CB 0.730 39.764 39.000 0.057 0.000 1.214 79 F HN 0.490 nan 8.300 nan 0.000 0.518 80 H N 3.205 121.707 119.070 -0.948 0.000 2.260 80 H HA -0.276 4.280 4.556 -0.000 0.000 0.288 80 H C 1.912 177.183 175.328 -0.094 0.000 1.094 80 H CA 2.895 58.667 56.048 -0.460 0.000 1.197 80 H CB -0.156 29.318 29.762 -0.480 0.000 1.346 80 H HN 0.876 nan 8.280 nan 0.000 0.486 81 E N -0.256 119.911 120.200 -0.055 0.000 2.065 81 E HA -0.185 4.165 4.350 -0.000 0.000 0.201 81 E C 2.088 178.794 176.600 0.176 0.000 1.016 81 E CA 2.192 58.699 56.400 0.179 0.000 0.818 81 E CB -0.572 29.337 29.700 0.348 0.000 0.749 81 E HN 0.360 nan 8.360 nan 0.000 0.453 82 T N 1.109 115.805 114.554 0.237 0.000 2.849 82 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 82 T C 1.660 176.440 174.700 0.133 0.000 1.066 82 T CA 1.124 63.388 62.100 0.274 0.000 1.130 82 T CB -0.276 68.789 68.868 0.328 0.000 0.864 82 T HN 0.133 nan 8.240 nan 0.000 0.481 83 L N 0.302 121.463 121.223 -0.102 0.000 2.265 83 L HA 0.006 4.346 4.340 -0.000 0.000 0.215 83 L C 0.858 177.371 176.870 -0.594 0.000 1.117 83 L CA 1.549 56.147 54.840 -0.403 0.000 0.782 83 L CB -0.446 41.207 42.059 -0.676 0.000 0.914 83 L HN 0.332 nan 8.230 nan 0.000 0.441 84 Y N -1.619 118.626 120.300 -0.092 0.000 2.612 84 Y HA 0.355 4.905 4.550 -0.000 0.000 0.250 84 Y C 0.951 176.788 175.900 -0.103 0.000 1.175 84 Y CA -0.725 57.318 58.100 -0.095 0.000 1.205 84 Y CB -0.255 38.141 38.460 -0.107 0.000 1.201 84 Y HN 0.175 nan 8.280 nan 0.000 0.532 85 Q N 0.820 120.605 119.800 -0.026 0.000 2.318 85 Q HA 0.397 4.737 4.340 -0.000 0.000 0.222 85 Q C -0.462 175.136 176.000 -0.669 0.000 1.003 85 Q CA -0.282 55.391 55.803 -0.218 0.000 0.936 85 Q CB 1.147 29.814 28.738 -0.117 0.000 1.204 85 Q HN 0.167 nan 8.270 nan 0.000 0.524 86 K N 0.280 120.248 120.400 -0.720 0.000 2.400 86 K HA 0.208 4.527 4.320 -0.000 0.000 0.246 86 K C -1.226 174.952 176.600 -0.703 0.000 0.995 86 K CA -0.802 55.054 56.287 -0.718 0.000 0.840 86 K CB 1.265 33.594 32.500 -0.286 0.000 1.293 86 K HN 0.593 nan 8.250 nan 0.000 0.445 87 D N -0.799 119.401 120.400 -0.334 0.000 2.451 87 D HA 0.074 4.714 4.640 -0.000 0.000 0.259 87 D C -0.552 175.751 176.300 0.005 0.000 1.201 87 D CA -0.538 53.488 54.000 0.042 0.000 1.028 87 D CB 0.493 41.412 40.800 0.198 0.000 1.095 87 D HN 0.193 nan 8.370 nan 0.000 0.539 88 S N 0.231 115.964 115.700 0.055 0.000 4.120 88 S HA 0.110 4.580 4.470 -0.000 0.000 0.215 88 S C 0.623 175.241 174.600 0.030 0.000 1.347 88 S CA 0.274 58.496 58.200 0.036 0.000 0.889 88 S CB -1.113 62.118 63.200 0.052 0.000 1.585 88 S HN 0.634 nan 8.310 nan 0.000 0.447 89 Q N 0.759 120.572 119.800 0.022 0.000 6.761 89 Q HA -0.243 4.097 4.340 -0.000 0.000 0.324 89 Q C 1.071 177.069 176.000 -0.002 0.000 1.780 89 Q CA 1.031 56.844 55.803 0.017 0.000 0.464 89 Q CB -2.205 26.535 28.738 0.002 0.000 0.170 89 Q HN 1.449 nan 8.270 nan 0.000 0.780 90 G N 2.462 111.247 108.800 -0.025 0.000 2.143 90 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.248 90 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.248 90 G C -0.073 174.796 174.900 -0.052 0.000 0.991 90 G CA 0.828 45.901 45.100 -0.046 0.000 0.689 90 G HN 0.617 nan 8.290 nan 0.000 0.522 91 K N 0.513 120.889 120.400 -0.040 0.000 2.312 91 K HA 0.496 4.816 4.320 -0.000 0.000 0.287 91 K C 1.040 177.595 176.600 -0.075 0.000 1.062 91 K CA -0.732 55.539 56.287 -0.027 0.000 0.934 91 K CB 0.172 32.681 32.500 0.015 0.000 1.027 91 K HN 0.255 nan 8.250 nan 0.000 0.478 92 L N 5.577 126.751 121.223 -0.082 0.000 2.540 92 L HA -0.067 4.273 4.340 -0.000 0.000 0.276 92 L C 1.284 178.132 176.870 -0.036 0.000 1.212 92 L CA -0.333 54.425 54.840 -0.135 0.000 0.893 92 L CB 0.040 42.050 42.059 -0.082 0.000 1.138 92 L HN 0.731 nan 8.230 nan 0.000 0.491 93 F N 2.390 122.333 119.950 -0.012 0.000 2.115 93 F HA -0.276 4.251 4.527 -0.000 0.000 0.300 93 F C 2.495 178.211 175.800 -0.140 0.000 1.092 93 F CA 1.947 59.934 58.000 -0.022 0.000 1.245 93 F CB -0.681 38.324 39.000 0.009 0.000 0.995 93 F HN 0.574 nan 8.300 nan 0.000 0.481 94 R N -0.019 120.498 120.500 0.029 0.000 2.152 94 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 94 R C 1.572 177.837 176.300 -0.059 0.000 1.117 94 R CA 1.667 57.710 56.100 -0.094 0.000 0.981 94 R CB -0.667 29.537 30.300 -0.159 0.000 0.870 94 R HN 0.187 nan 8.270 nan 0.000 0.451 95 N N 0.988 119.675 118.700 -0.022 0.000 2.333 95 N HA 0.043 4.783 4.740 -0.000 0.000 0.178 95 N C 1.807 177.323 175.510 0.010 0.000 1.018 95 N CA 0.880 53.924 53.050 -0.010 0.000 0.882 95 N CB -0.020 38.464 38.487 -0.005 0.000 0.984 95 N HN 0.250 nan 8.380 nan 0.000 0.434 96 I N 0.866 121.463 120.570 0.045 0.000 2.179 96 I HA -0.229 3.940 4.170 -0.000 0.000 0.242 96 I C 2.088 178.219 176.117 0.023 0.000 1.088 96 I CA 0.864 62.202 61.300 0.063 0.000 1.357 96 I CB -0.163 37.925 38.000 0.146 0.000 1.051 96 I HN 0.074 nan 8.210 nan 0.000 0.409 97 L N 0.498 121.705 121.223 -0.027 0.000 2.017 97 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 97 L C 2.672 179.517 176.870 -0.041 0.000 1.073 97 L CA 1.589 56.382 54.840 -0.078 0.000 0.745 97 L CB -0.520 41.410 42.059 -0.216 0.000 0.894 97 L HN 0.228 nan 8.230 nan 0.000 0.432 98 K N 0.204 120.580 120.400 -0.040 0.000 2.057 98 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 98 K C 1.901 178.498 176.600 -0.004 0.000 1.049 98 K CA 1.570 57.844 56.287 -0.021 0.000 0.931 98 K CB 0.039 32.524 32.500 -0.025 0.000 0.714 98 K HN 0.376 nan 8.250 nan 0.000 0.440 99 E N 0.312 120.513 120.200 0.002 0.000 2.153 99 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 99 E C 1.594 178.202 176.600 0.013 0.000 0.988 99 E CA 0.852 57.258 56.400 0.009 0.000 0.811 99 E CB 0.040 29.749 29.700 0.014 0.000 0.746 99 E HN 0.223 nan 8.360 nan 0.000 0.466 100 K N -0.256 120.154 120.400 0.016 0.000 2.555 100 K HA -0.035 4.285 4.320 -0.000 0.000 0.193 100 K C 0.958 177.569 176.600 0.018 0.000 1.032 100 K CA 0.504 56.804 56.287 0.021 0.000 1.004 100 K CB 0.184 32.702 32.500 0.030 0.000 0.804 100 K HN 0.304 nan 8.250 nan 0.000 0.496 101 G N 1.279 110.086 108.800 0.012 0.000 2.175 101 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 101 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 101 G C 0.166 175.073 174.900 0.012 0.000 0.982 101 G CA -0.202 44.904 45.100 0.011 0.000 0.641 101 G HN 0.222 nan 8.290 nan 0.000 0.527 102 I N 1.344 121.921 120.570 0.012 0.000 2.472 102 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 102 I C 1.018 177.150 176.117 0.026 0.000 1.016 102 I CA -1.046 60.265 61.300 0.017 0.000 1.348 102 I CB 1.478 39.486 38.000 0.013 0.000 1.417 102 I HN -0.130 nan 8.210 nan 0.000 0.521 103 V N 6.662 126.613 119.914 0.062 0.000 2.614 103 V HA 0.155 4.275 4.120 -0.000 0.000 0.291 103 V C 0.300 176.507 176.094 0.188 0.000 1.049 103 V CA -0.497 61.878 62.300 0.125 0.000 1.038 103 V CB 1.375 33.306 31.823 0.181 0.000 0.980 103 V HN 0.400 nan 8.190 nan 0.000 0.481 104 V N 3.806 123.756 119.914 0.060 0.000 2.435 104 V HA 0.805 4.925 4.120 -0.000 0.000 0.290 104 V C 0.691 176.518 176.094 -0.445 0.000 1.030 104 V CA 0.042 62.268 62.300 -0.125 0.000 0.881 104 V CB 1.498 33.211 31.823 -0.184 0.000 0.983 104 V HN 1.047 nan 8.190 nan 0.000 0.445 105 G N 3.132 111.350 108.800 -0.970 0.000 2.685 105 G HA2 0.774 4.734 3.960 -0.000 0.000 0.298 105 G HA3 0.774 4.734 3.960 -0.000 0.000 0.298 105 G C -1.674 172.748 174.900 -0.795 0.000 1.277 105 G CA -0.564 43.549 45.100 -1.646 0.000 0.986 105 G HN 0.561 nan 8.290 nan 0.000 0.487 106 I N -0.818 119.376 120.570 -0.626 0.000 2.769 106 I HA 0.473 4.643 4.170 -0.000 0.000 0.298 106 I C -0.212 175.758 176.117 -0.246 0.000 1.128 106 I CA -1.478 59.553 61.300 -0.449 0.000 1.031 106 I CB 2.236 39.796 38.000 -0.734 0.000 1.235 106 I HN 0.447 nan 8.210 nan 0.000 0.423 107 K N 6.220 126.544 120.400 -0.126 0.000 2.379 107 K HA 0.242 4.562 4.320 -0.000 0.000 0.284 107 K C -0.243 176.349 176.600 -0.014 0.000 1.044 107 K CA 0.137 56.416 56.287 -0.014 0.000 0.974 107 K CB 0.433 32.986 32.500 0.088 0.000 0.962 107 K HN 0.798 nan 8.250 nan 0.000 0.474 108 L N 2.995 124.254 121.223 0.060 0.000 2.638 108 L HA 0.078 4.418 4.340 -0.000 0.000 0.232 108 L C 0.321 177.262 176.870 0.117 0.000 1.099 108 L CA -0.292 54.644 54.840 0.160 0.000 0.883 108 L CB 0.163 42.427 42.059 0.342 0.000 1.136 108 L HN 0.751 nan 8.230 nan 0.000 0.492 109 D N -0.855 119.463 120.400 -0.136 0.000 2.360 109 D HA 0.016 4.656 4.640 -0.000 0.000 0.242 109 D C 0.187 176.276 176.300 -0.351 0.000 1.184 109 D CA -0.224 53.375 54.000 -0.668 0.000 0.930 109 D CB 0.599 40.653 40.800 -1.243 0.000 1.161 109 D HN 0.008 nan 8.370 nan 0.000 0.447 110 Q N 0.145 119.677 119.800 -0.446 0.000 2.155 110 Q HA 0.376 4.716 4.340 -0.000 0.000 0.273 110 Q C -0.051 175.840 176.000 -0.182 0.000 0.857 110 Q CA -0.384 55.300 55.803 -0.199 0.000 1.116 110 Q CB 1.130 29.814 28.738 -0.090 0.000 1.209 110 Q HN 0.795 nan 8.270 nan 0.000 0.460 111 G N -0.251 108.400 108.800 -0.248 0.000 2.712 111 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.683 111 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.683 111 G C -0.092 174.704 174.900 -0.175 0.000 1.320 111 G CA -0.765 44.233 45.100 -0.169 0.000 0.847 111 G HN 0.359 nan 8.290 nan 0.000 0.553 112 G N -1.061 107.669 108.800 -0.117 0.000 2.537 112 G HA2 1.021 4.981 3.960 -0.000 0.000 0.297 112 G HA3 1.021 4.981 3.960 -0.000 0.000 0.297 112 G C 0.084 174.951 174.900 -0.056 0.000 1.310 112 G CA 0.478 45.524 45.100 -0.090 0.000 1.027 112 G HN 2.367 nan 8.290 nan 0.000 0.505 113 A N 0.179 122.978 122.820 -0.035 0.000 2.530 113 A HA 0.684 5.004 4.320 -0.000 0.000 0.297 113 A C -2.991 174.589 177.584 -0.006 0.000 1.059 113 A CA -0.985 51.042 52.037 -0.016 0.000 0.782 113 A CB 1.684 20.681 19.000 -0.006 0.000 1.301 113 A HN 0.517 nan 8.150 nan 0.000 0.394 114 P HA 0.151 nan 4.420 nan 0.000 0.264 114 P C -0.666 176.637 177.300 0.006 0.000 1.193 114 P CA 0.059 63.158 63.100 -0.001 0.000 0.763 114 P CB 0.559 32.259 31.700 -0.000 0.000 0.810 115 L N 3.802 125.029 121.223 0.007 0.000 2.282 115 L HA 0.320 4.660 4.340 -0.000 0.000 0.287 115 L C 0.976 177.852 176.870 0.010 0.000 1.075 115 L CA -0.711 54.136 54.840 0.012 0.000 0.839 115 L CB -0.389 41.678 42.059 0.014 0.000 1.219 115 L HN 0.431 nan 8.230 nan 0.000 0.434 116 A N 3.085 125.911 122.820 0.010 0.000 2.507 116 A HA 0.456 4.776 4.320 -0.000 0.000 0.235 116 A C 1.286 178.876 177.584 0.010 0.000 1.070 116 A CA 0.534 52.577 52.037 0.009 0.000 0.768 116 A CB -0.217 18.789 19.000 0.009 0.000 1.011 116 A HN 1.424 nan 8.150 nan 0.000 0.502 117 G N 0.426 109.231 108.800 0.009 0.000 2.137 117 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.237 117 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.237 117 G C 0.226 175.133 174.900 0.010 0.000 1.002 117 G CA 0.572 45.678 45.100 0.010 0.000 0.702 117 G HN 1.341 nan 8.290 nan 0.000 0.515 118 T N -0.788 113.771 114.554 0.009 0.000 2.864 118 T HA 0.492 4.842 4.350 -0.000 0.000 0.299 118 T C -0.119 174.586 174.700 0.009 0.000 1.166 118 T CA -0.280 61.826 62.100 0.010 0.000 1.007 118 T CB 1.345 70.219 68.868 0.010 0.000 1.219 118 T HN 0.225 nan 8.240 nan 0.000 0.506 119 N N 1.995 120.700 118.700 0.009 0.000 3.178 119 N HA 0.092 4.832 4.740 -0.000 0.000 0.300 119 N C -0.223 175.290 175.510 0.006 0.000 1.242 119 N CA 0.072 53.127 53.050 0.008 0.000 1.192 119 N CB -0.999 37.494 38.487 0.010 0.000 1.463 119 N HN 0.626 nan 8.380 nan 0.000 0.539 120 K N -0.316 120.086 120.400 0.004 0.000 3.192 120 K HA -0.219 4.101 4.320 -0.000 0.000 0.278 120 K C -0.755 175.844 176.600 -0.001 0.000 1.164 120 K CA 0.730 57.018 56.287 0.001 0.000 0.816 120 K CB -1.616 30.884 32.500 0.000 0.000 1.256 120 K HN 0.629 nan 8.250 nan 0.000 0.497 121 E N 1.059 121.259 120.200 0.001 0.000 2.373 121 E HA 0.275 4.625 4.350 -0.000 0.000 0.263 121 E C 0.738 177.338 176.600 0.000 0.000 1.073 121 E CA 0.013 56.413 56.400 0.001 0.000 0.894 121 E CB 0.939 30.641 29.700 0.005 0.000 1.008 121 E HN 0.324 nan 8.360 nan 0.000 0.420 122 T N -1.054 113.499 114.554 -0.002 0.000 2.926 122 T HA 0.583 4.933 4.350 -0.000 0.000 0.289 122 T C 0.114 174.818 174.700 0.007 0.000 1.054 122 T CA -0.827 61.271 62.100 -0.003 0.000 1.015 122 T CB 1.718 70.576 68.868 -0.018 0.000 1.167 122 T HN 0.424 nan 8.240 nan 0.000 0.526 123 T N 0.099 114.660 114.554 0.012 0.000 2.735 123 T HA 0.754 5.104 4.350 -0.000 0.000 0.262 123 T C -0.942 173.765 174.700 0.011 0.000 0.955 123 T CA -0.663 61.460 62.100 0.038 0.000 1.022 123 T CB 0.555 69.461 68.868 0.063 0.000 1.455 123 T HN 0.534 nan 8.240 nan 0.000 0.583 124 I N 0.600 121.197 120.570 0.045 0.000 2.647 124 I HA 0.369 4.539 4.170 -0.000 0.000 0.295 124 I C -0.199 175.921 176.117 0.005 0.000 1.078 124 I CA -0.556 60.692 61.300 -0.086 0.000 1.048 124 I CB 2.233 40.069 38.000 -0.274 0.000 1.239 124 I HN 0.546 nan 8.210 nan 0.000 0.421 125 Q N 2.422 122.147 119.800 -0.126 0.000 2.180 125 Q HA 0.688 5.028 4.340 -0.000 0.000 0.241 125 Q C 0.477 176.433 176.000 -0.074 0.000 0.970 125 Q CA -0.125 55.669 55.803 -0.015 0.000 0.919 125 Q CB 1.599 30.305 28.738 -0.053 0.000 1.222 125 Q HN 0.968 nan 8.270 nan 0.000 0.482 126 G N -0.120 108.773 108.800 0.154 0.000 2.198 126 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.156 126 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.156 126 G C 0.455 175.590 174.900 0.391 0.000 1.012 126 G CA -0.265 44.959 45.100 0.205 0.000 0.692 126 G HN 0.499 nan 8.290 nan 0.000 0.492 127 L N 0.773 122.225 121.223 0.381 0.000 2.313 127 L HA 0.184 4.524 4.340 -0.000 0.000 0.214 127 L C 0.470 177.430 176.870 0.149 0.000 1.119 127 L CA 0.378 55.360 54.840 0.236 0.000 0.809 127 L CB -0.246 41.900 42.059 0.145 0.000 0.933 127 L HN 0.124 nan 8.230 nan 0.000 0.449 128 D N 1.186 121.662 120.400 0.128 0.000 2.371 128 D HA 0.206 4.846 4.640 -0.000 0.000 0.256 128 D C 1.229 177.569 176.300 0.067 0.000 1.193 128 D CA 1.024 55.070 54.000 0.078 0.000 0.881 128 D CB 1.241 42.075 40.800 0.056 0.000 1.143 128 D HN 0.267 nan 8.370 nan 0.000 0.473 129 G N 1.968 110.799 108.800 0.052 0.000 2.184 129 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.264 129 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.264 129 G C 1.027 175.958 174.900 0.052 0.000 0.975 129 G CA 0.466 45.587 45.100 0.035 0.000 0.642 129 G HN 0.511 nan 8.290 nan 0.000 0.536 130 L N 1.188 122.468 121.223 0.094 0.000 2.129 130 L HA 0.061 4.401 4.340 -0.000 0.000 0.212 130 L C 2.633 179.567 176.870 0.106 0.000 1.087 130 L CA 3.120 58.043 54.840 0.138 0.000 0.757 130 L CB -0.775 41.398 42.059 0.190 0.000 0.896 130 L HN 0.316 nan 8.230 nan 0.000 0.434 131 S N -0.841 114.900 115.700 0.068 0.000 2.356 131 S HA -0.144 4.326 4.470 -0.000 0.000 0.223 131 S C 1.818 176.438 174.600 0.033 0.000 1.032 131 S CA 1.276 59.506 58.200 0.050 0.000 1.005 131 S CB -0.249 62.971 63.200 0.033 0.000 0.867 131 S HN 0.696 nan 8.310 nan 0.000 0.449 132 E N 1.547 121.754 120.200 0.012 0.000 2.072 132 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 132 E C 2.068 178.635 176.600 -0.054 0.000 0.985 132 E CA 0.883 57.273 56.400 -0.017 0.000 0.801 132 E CB -0.639 29.046 29.700 -0.025 0.000 0.750 132 E HN 0.442 nan 8.360 nan 0.000 0.452 133 R N 0.451 120.914 120.500 -0.060 0.000 2.080 133 R HA -0.089 4.251 4.340 -0.000 0.000 0.236 133 R C 2.686 178.912 176.300 -0.123 0.000 1.137 133 R CA 1.944 57.926 56.100 -0.195 0.000 0.943 133 R CB -0.810 29.433 30.300 -0.094 0.000 0.846 133 R HN 0.205 nan 8.270 nan 0.000 0.431 134 C N 0.062 119.437 119.300 0.126 0.000 2.393 134 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 134 C C 2.918 177.989 174.990 0.134 0.000 1.215 134 C CA 0.850 60.007 59.018 0.231 0.000 1.743 134 C CB -1.219 26.623 27.740 0.170 0.000 2.044 134 C HN 0.662 nan 8.230 nan 0.000 0.464 135 A N -0.007 122.849 122.820 0.059 0.000 1.940 135 A HA -0.333 3.987 4.320 -0.000 0.000 0.221 135 A C 2.048 179.647 177.584 0.025 0.000 1.190 135 A CA 2.644 54.703 52.037 0.036 0.000 0.647 135 A CB -0.727 18.279 19.000 0.011 0.000 0.821 135 A HN 0.670 nan 8.150 nan 0.000 0.457 136 Q N -1.625 118.158 119.800 -0.029 0.000 2.123 136 Q HA -0.116 4.224 4.340 -0.000 0.000 0.199 136 Q C 1.720 177.744 176.000 0.041 0.000 0.966 136 Q CA 1.779 57.556 55.803 -0.043 0.000 0.845 136 Q CB -0.549 28.099 28.738 -0.150 0.000 0.907 136 Q HN 0.670 nan 8.270 nan 0.000 0.439 137 Y N 0.523 120.866 120.300 0.072 0.000 2.181 137 Y HA -0.132 4.418 4.550 -0.000 0.000 0.288 137 Y C 2.218 178.122 175.900 0.006 0.000 1.146 137 Y CA 1.516 59.643 58.100 0.046 0.000 1.164 137 Y CB -0.559 37.925 38.460 0.040 0.000 0.982 137 Y HN 0.132 nan 8.280 nan 0.000 0.515 138 K N 0.690 121.198 120.400 0.181 0.000 2.063 138 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 138 K C 1.973 178.615 176.600 0.070 0.000 1.048 138 K CA 1.732 58.077 56.287 0.096 0.000 0.928 138 K CB -0.140 32.404 32.500 0.074 0.000 0.713 138 K HN 0.145 nan 8.250 nan 0.000 0.442 139 K N -0.120 120.322 120.400 0.070 0.000 2.148 139 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 139 K C 0.356 176.989 176.600 0.055 0.000 1.050 139 K CA 1.313 57.630 56.287 0.050 0.000 0.942 139 K CB 0.114 32.638 32.500 0.039 0.000 0.724 139 K HN 0.172 nan 8.250 nan 0.000 0.446 140 D N -0.496 119.952 120.400 0.081 0.000 2.434 140 D HA 0.105 4.745 4.640 -0.000 0.000 0.232 140 D C 0.655 176.956 176.300 0.003 0.000 1.166 140 D CA 0.370 54.407 54.000 0.061 0.000 0.830 140 D CB 0.620 41.488 40.800 0.113 0.000 0.960 140 D HN 0.395 nan 8.370 nan 0.000 0.497 141 G N -0.642 108.163 108.800 0.008 0.000 2.176 141 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.232 141 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.232 141 G C 0.370 175.248 174.900 -0.036 0.000 0.986 141 G CA 0.012 45.100 45.100 -0.020 0.000 0.643 141 G HN 0.296 nan 8.290 nan 0.000 0.522 142 V N 1.084 120.979 119.914 -0.032 0.000 2.567 142 V HA 0.508 4.628 4.120 -0.000 0.000 0.289 142 V C 0.625 176.701 176.094 -0.030 0.000 1.049 142 V CA 0.082 62.328 62.300 -0.090 0.000 0.969 142 V CB 1.735 33.469 31.823 -0.149 0.000 0.995 142 V HN 0.203 nan 8.190 nan 0.000 0.471 143 D N 1.961 122.350 120.400 -0.018 0.000 2.474 143 D HA 0.220 4.860 4.640 -0.000 0.000 0.213 143 D C -0.237 176.179 176.300 0.194 0.000 1.120 143 D CA 0.622 54.678 54.000 0.094 0.000 0.836 143 D CB 1.043 41.933 40.800 0.150 0.000 1.019 143 D HN 0.531 nan 8.370 nan 0.000 0.507 144 F N -0.961 118.985 119.950 -0.008 0.000 2.668 144 F HA 0.690 5.217 4.527 -0.000 0.000 0.309 144 F C -0.424 175.388 175.800 0.020 0.000 1.117 144 F CA -1.225 56.778 58.000 0.005 0.000 0.951 144 F CB 1.190 40.189 39.000 -0.003 0.000 1.323 144 F HN -0.217 nan 8.300 nan 0.000 0.451 145 G N 1.150 110.071 108.800 0.201 0.000 2.600 145 G HA2 0.623 4.583 3.960 -0.000 0.000 0.303 145 G HA3 0.623 4.583 3.960 -0.000 0.000 0.303 145 G C -2.149 172.980 174.900 0.381 0.000 1.253 145 G CA -1.060 44.151 45.100 0.183 0.000 0.974 145 G HN 0.716 nan 8.290 nan 0.000 0.483 146 K N 0.048 120.632 120.400 0.306 0.000 2.468 146 K HA 0.377 4.697 4.320 -0.000 0.000 0.252 146 K C -2.198 174.481 176.600 0.131 0.000 0.932 146 K CA -0.807 55.637 56.287 0.262 0.000 0.794 146 K CB 2.470 35.075 32.500 0.174 0.000 1.241 146 K HN 0.612 nan 8.250 nan 0.000 0.428 147 W N 6.215 127.383 121.300 -0.220 0.000 2.934 147 W HA 0.296 4.956 4.660 -0.000 0.000 0.333 147 W C -1.423 174.953 176.519 -0.239 0.000 1.035 147 W CA -0.567 56.488 57.345 -0.485 0.000 1.256 147 W CB 1.152 29.856 29.460 -1.260 0.000 1.306 147 W HN 0.697 nan 8.180 nan 0.000 0.430 148 R N 4.280 124.691 120.500 -0.148 0.000 2.294 148 R HA 0.744 5.084 4.340 -0.000 0.000 0.319 148 R C -0.997 175.215 176.300 -0.146 0.000 0.984 148 R CA -0.183 55.872 56.100 -0.074 0.000 0.861 148 R CB 1.489 31.743 30.300 -0.078 0.000 1.104 148 R HN 0.328 nan 8.270 nan 0.000 0.451 149 A N 3.887 126.705 122.820 -0.003 0.000 2.305 149 A HA 0.555 4.875 4.320 -0.000 0.000 0.322 149 A C -0.883 176.701 177.584 -0.001 0.000 1.187 149 A CA -0.749 51.304 52.037 0.028 0.000 0.825 149 A CB 1.500 20.567 19.000 0.111 0.000 1.164 149 A HN 0.540 nan 8.150 nan 0.000 0.498 150 V N 4.063 123.968 119.914 -0.015 0.000 2.378 150 V HA 0.388 4.508 4.120 -0.000 0.000 0.288 150 V C -0.461 175.627 176.094 -0.010 0.000 1.016 150 V CA -0.115 62.175 62.300 -0.017 0.000 0.840 150 V CB 0.947 32.750 31.823 -0.034 0.000 0.994 150 V HN 0.764 nan 8.190 nan 0.000 0.431 151 L N 6.298 127.516 121.223 -0.008 0.000 2.334 151 L HA 0.759 5.099 4.340 -0.000 0.000 0.276 151 L C 0.182 177.036 176.870 -0.026 0.000 1.014 151 L CA -0.522 54.310 54.840 -0.012 0.000 0.815 151 L CB 1.743 43.798 42.059 -0.007 0.000 1.268 151 L HN 0.709 nan 8.230 nan 0.000 0.428 152 R N 2.581 123.062 120.500 -0.032 0.000 2.892 152 R HA 0.724 5.064 4.340 -0.000 0.000 0.265 152 R C -1.257 174.990 176.300 -0.088 0.000 1.025 152 R CA -0.838 55.231 56.100 -0.051 0.000 0.982 152 R CB 1.662 31.945 30.300 -0.028 0.000 1.185 152 R HN 0.489 nan 8.270 nan 0.000 0.484 153 I N 1.678 122.152 120.570 -0.160 0.000 2.304 153 I HA 0.565 4.735 4.170 -0.000 0.000 0.291 153 I C -0.103 175.946 176.117 -0.115 0.000 1.018 153 I CA -0.282 60.867 61.300 -0.253 0.000 1.260 153 I CB 1.388 38.992 38.000 -0.660 0.000 1.390 153 I HN 0.927 nan 8.210 nan 0.000 0.475 154 A N 5.006 127.801 122.820 -0.042 0.000 2.467 154 A HA 0.306 4.626 4.320 -0.000 0.000 0.301 154 A C -1.332 176.268 177.584 0.027 0.000 1.126 154 A CA -0.684 51.358 52.037 0.009 0.000 0.632 154 A CB 0.866 19.870 19.000 0.007 0.000 1.331 154 A HN 0.557 nan 8.150 nan 0.000 0.482 155 D N 0.716 121.133 120.400 0.029 0.000 2.451 155 D HA 0.172 4.812 4.640 -0.000 0.000 0.254 155 D C 0.212 176.525 176.300 0.021 0.000 1.204 155 D CA 1.313 55.329 54.000 0.027 0.000 0.896 155 D CB 0.159 40.972 40.800 0.022 0.000 1.136 155 D HN 0.537 nan 8.370 nan 0.000 0.499 156 Q N 0.734 120.549 119.800 0.024 0.000 2.461 156 Q HA -0.227 4.113 4.340 -0.000 0.000 0.273 156 Q C -0.737 175.275 176.000 0.021 0.000 1.163 156 Q CA 0.669 56.486 55.803 0.023 0.000 0.929 156 Q CB -1.677 27.072 28.738 0.019 0.000 1.334 156 Q HN 0.454 nan 8.270 nan 0.000 0.499 157 C N 0.193 119.503 119.300 0.017 0.000 2.634 157 C HA 0.678 5.138 4.460 -0.000 0.000 0.313 157 C C -2.127 172.864 174.990 0.002 0.000 1.198 157 C CA -1.523 57.499 59.018 0.007 0.000 1.605 157 C CB 1.561 29.297 27.740 -0.006 0.000 2.196 157 C HN 0.190 nan 8.230 nan 0.000 0.486 158 P HA 0.290 nan 4.420 nan 0.000 0.288 158 P C -0.461 176.855 177.300 0.026 0.000 1.267 158 P CA 0.133 63.238 63.100 0.009 0.000 0.815 158 P CB 1.214 32.918 31.700 0.006 0.000 0.989 159 S N 0.417 116.130 115.700 0.022 0.000 2.681 159 S HA 0.207 4.677 4.470 -0.000 0.000 0.270 159 S C 1.571 176.189 174.600 0.030 0.000 1.209 159 S CA 0.104 58.320 58.200 0.027 0.000 0.988 159 S CB 0.541 63.754 63.200 0.022 0.000 1.006 159 S HN 0.537 nan 8.310 nan 0.000 0.558 160 S N 0.274 115.993 115.700 0.031 0.000 2.371 160 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 160 S C 1.853 176.468 174.600 0.024 0.000 1.029 160 S CA 1.012 59.230 58.200 0.030 0.000 0.978 160 S CB -1.015 62.204 63.200 0.031 0.000 0.833 160 S HN 0.747 nan 8.310 nan 0.000 0.466 161 L N 2.057 123.293 121.223 0.023 0.000 2.042 161 L HA 0.106 4.446 4.340 -0.000 0.000 0.210 161 L C 2.563 179.446 176.870 0.021 0.000 1.076 161 L CA 2.080 56.933 54.840 0.021 0.000 0.749 161 L CB -1.150 40.921 42.059 0.020 0.000 0.893 161 L HN 0.389 nan 8.230 nan 0.000 0.432 162 A N -0.350 122.482 122.820 0.020 0.000 1.930 162 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 162 A C 2.211 179.807 177.584 0.020 0.000 1.175 162 A CA 1.779 53.828 52.037 0.020 0.000 0.627 162 A CB -0.732 18.277 19.000 0.016 0.000 0.815 162 A HN 0.521 nan 8.150 nan 0.000 0.443 163 I N -0.886 119.696 120.570 0.019 0.000 2.060 163 I HA -0.339 3.831 4.170 -0.000 0.000 0.233 163 I C 2.711 178.834 176.117 0.011 0.000 1.054 163 I CA 1.867 63.176 61.300 0.015 0.000 1.318 163 I CB -0.664 37.346 38.000 0.017 0.000 1.054 163 I HN 0.543 nan 8.210 nan 0.000 0.395 164 Q N 0.807 120.614 119.800 0.011 0.000 2.094 164 Q HA -0.397 3.943 4.340 -0.000 0.000 0.217 164 Q C 2.006 178.012 176.000 0.010 0.000 1.046 164 Q CA 2.956 58.765 55.803 0.010 0.000 0.911 164 Q CB -0.284 28.464 28.738 0.017 0.000 1.038 164 Q HN 0.411 nan 8.270 nan 0.000 0.422 165 E N 0.144 120.356 120.200 0.020 0.000 2.150 165 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 165 E C 1.540 178.160 176.600 0.035 0.000 0.985 165 E CA 1.712 58.129 56.400 0.028 0.000 0.814 165 E CB -0.190 29.530 29.700 0.033 0.000 0.752 165 E HN 0.467 nan 8.360 nan 0.000 0.466 166 N N -0.093 118.629 118.700 0.037 0.000 2.270 166 N HA -0.102 4.638 4.740 -0.000 0.000 0.181 166 N C 1.589 177.109 175.510 0.017 0.000 1.016 166 N CA 1.080 54.165 53.050 0.059 0.000 0.870 166 N CB -0.079 38.447 38.487 0.065 0.000 0.979 166 N HN 0.270 nan 8.380 nan 0.000 0.431 167 A N 1.840 124.646 122.820 -0.023 0.000 1.897 167 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 167 A C 2.046 179.544 177.584 -0.142 0.000 1.181 167 A CA 0.927 52.914 52.037 -0.083 0.000 0.620 167 A CB -0.339 18.611 19.000 -0.084 0.000 0.821 167 A HN 0.249 nan 8.150 nan 0.000 0.443 168 N N 0.443 119.083 118.700 -0.100 0.000 2.120 168 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 168 N C 1.982 177.359 175.510 -0.220 0.000 1.024 168 N CA 1.386 54.339 53.050 -0.160 0.000 0.852 168 N CB -0.314 38.157 38.487 -0.026 0.000 1.003 168 N HN 0.475 nan 8.380 nan 0.000 0.424 169 A N 1.597 124.352 122.820 -0.107 0.000 1.902 169 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 169 A C 2.390 179.741 177.584 -0.389 0.000 1.181 169 A CA 0.824 52.782 52.037 -0.132 0.000 0.623 169 A CB -0.749 18.319 19.000 0.112 0.000 0.818 169 A HN 0.170 nan 8.150 nan 0.000 0.443 170 L N -0.788 120.250 121.223 -0.308 0.000 2.042 170 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 170 L C 3.049 179.743 176.870 -0.293 0.000 1.076 170 L CA 1.214 55.847 54.840 -0.345 0.000 0.749 170 L CB -0.360 41.611 42.059 -0.146 0.000 0.893 170 L HN 0.457 nan 8.230 nan 0.000 0.432 171 A N -0.755 121.835 122.820 -0.384 0.000 1.929 171 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 171 A C 2.322 179.623 177.584 -0.472 0.000 1.176 171 A CA 0.869 52.610 52.037 -0.493 0.000 0.628 171 A CB -0.314 18.188 19.000 -0.831 0.000 0.816 171 A HN 0.227 nan 8.150 nan 0.000 0.444 172 R N -1.199 119.045 120.500 -0.427 0.000 2.096 172 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 172 R C 2.085 178.268 176.300 -0.196 0.000 1.127 172 R CA 1.841 57.825 56.100 -0.192 0.000 0.968 172 R CB -0.986 29.249 30.300 -0.109 0.000 0.861 172 R HN 0.821 nan 8.270 nan 0.000 0.440 173 Y N 0.859 120.881 120.300 -0.464 0.000 2.133 173 Y HA -0.091 4.459 4.550 -0.000 0.000 0.287 173 Y C 2.266 178.018 175.900 -0.247 0.000 1.134 173 Y CA 1.203 59.023 58.100 -0.467 0.000 1.133 173 Y CB -0.616 37.245 38.460 -0.998 0.000 0.987 173 Y HN 0.008 nan 8.280 nan 0.000 0.502 174 A N 0.158 122.489 122.820 -0.814 0.000 1.873 174 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 174 A C 2.534 179.911 177.584 -0.345 0.000 1.193 174 A CA 2.401 54.042 52.037 -0.660 0.000 0.629 174 A CB -1.686 17.107 19.000 -0.344 0.000 0.826 174 A HN 0.590 nan 8.150 nan 0.000 0.447 175 S N -0.659 114.922 115.700 -0.199 0.000 2.372 175 S HA -0.194 4.276 4.470 -0.000 0.000 0.227 175 S C 1.850 176.407 174.600 -0.072 0.000 1.044 175 S CA 1.879 60.035 58.200 -0.073 0.000 1.050 175 S CB -0.504 62.700 63.200 0.007 0.000 0.901 175 S HN 0.476 nan 8.310 nan 0.000 0.447 176 I N 0.429 120.938 120.570 -0.102 0.000 2.406 176 I HA -0.136 4.034 4.170 -0.000 0.000 0.249 176 I C 2.463 178.548 176.117 -0.053 0.000 1.122 176 I CA 0.568 61.840 61.300 -0.048 0.000 1.431 176 I CB -0.367 37.624 38.000 -0.014 0.000 1.087 176 I HN 0.399 nan 8.210 nan 0.000 0.424 177 C N 0.479 119.691 119.300 -0.145 0.000 2.401 177 C HA -0.199 4.261 4.460 -0.000 0.000 0.276 177 C C 2.794 177.757 174.990 -0.046 0.000 1.233 177 C CA 0.941 59.898 59.018 -0.101 0.000 1.753 177 C CB -1.213 26.398 27.740 -0.214 0.000 2.029 177 C HN 0.527 nan 8.230 nan 0.000 0.478 178 Q N -0.205 119.563 119.800 -0.055 0.000 2.119 178 Q HA -0.181 4.159 4.340 -0.000 0.000 0.201 178 Q C 2.329 178.329 176.000 -0.000 0.000 0.972 178 Q CA 1.004 56.802 55.803 -0.008 0.000 0.847 178 Q CB -0.262 28.487 28.738 0.019 0.000 0.903 178 Q HN 0.656 nan 8.270 nan 0.000 0.433 179 Q N 0.268 120.066 119.800 -0.005 0.000 2.291 179 Q HA -0.042 4.298 4.340 -0.000 0.000 0.205 179 Q C 0.916 176.921 176.000 0.008 0.000 0.970 179 Q CA 0.897 56.701 55.803 0.002 0.000 0.876 179 Q CB 0.057 28.798 28.738 0.005 0.000 0.935 179 Q HN 0.378 nan 8.270 nan 0.000 0.455 180 N N -0.903 117.806 118.700 0.016 0.000 2.204 180 N HA 0.104 4.844 4.740 -0.000 0.000 0.219 180 N C 0.260 175.792 175.510 0.037 0.000 1.151 180 N CA 0.645 53.713 53.050 0.029 0.000 0.867 180 N CB 1.304 39.819 38.487 0.047 0.000 1.043 180 N HN 0.264 nan 8.380 nan 0.000 0.516 181 G N 1.316 110.134 108.800 0.030 0.000 2.198 181 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 181 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 181 G C -0.166 174.765 174.900 0.052 0.000 1.025 181 G CA 0.165 45.286 45.100 0.036 0.000 0.769 181 G HN 0.250 nan 8.290 nan 0.000 0.507 182 L N -0.497 120.757 121.223 0.052 0.000 2.331 182 L HA 0.644 4.984 4.340 -0.000 0.000 0.275 182 L C 0.656 177.571 176.870 0.076 0.000 1.022 182 L CA -1.327 53.559 54.840 0.076 0.000 0.812 182 L CB 2.032 44.138 42.059 0.078 0.000 1.257 182 L HN -0.076 nan 8.230 nan 0.000 0.435 183 V N 4.275 124.268 119.914 0.131 0.000 2.432 183 V HA 0.256 4.376 4.120 -0.000 0.000 0.271 183 V C -1.937 174.222 176.094 0.109 0.000 1.046 183 V CA -1.332 61.027 62.300 0.099 0.000 0.945 183 V CB 1.429 33.309 31.823 0.094 0.000 0.992 183 V HN 0.562 nan 8.190 nan 0.000 0.471 184 P HA 0.343 nan 4.420 nan 0.000 0.292 184 P C -0.617 176.749 177.300 0.110 0.000 1.287 184 P CA -0.310 62.777 63.100 -0.022 0.000 0.800 184 P CB 1.258 32.702 31.700 -0.426 0.000 0.945 185 I N 3.681 124.412 120.570 0.268 0.000 2.312 185 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 185 I C 0.235 176.516 176.117 0.273 0.000 1.031 185 I CA -0.775 60.649 61.300 0.207 0.000 1.293 185 I CB 1.336 39.463 38.000 0.212 0.000 1.403 185 I HN 0.026 nan 8.210 nan 0.000 0.484 186 V N 6.967 126.981 119.914 0.167 0.000 2.334 186 V HA 0.171 4.291 4.120 -0.000 0.000 0.267 186 V C 0.259 176.406 176.094 0.088 0.000 1.040 186 V CA -0.437 61.955 62.300 0.153 0.000 0.866 186 V CB 1.111 32.950 31.823 0.027 0.000 1.019 186 V HN 0.702 nan 8.190 nan 0.000 0.468 187 E N 8.277 128.547 120.200 0.116 0.000 2.121 187 E HA 0.381 4.731 4.350 -0.000 0.000 0.255 187 E C -2.617 174.022 176.600 0.066 0.000 0.906 187 E CA -2.005 54.439 56.400 0.074 0.000 0.745 187 E CB 1.699 31.447 29.700 0.079 0.000 1.155 187 E HN 0.432 nan 8.360 nan 0.000 0.424 188 P HA 0.191 nan 4.420 nan 0.000 0.238 188 P C -0.991 176.326 177.300 0.027 0.000 1.758 188 P CA -0.323 62.794 63.100 0.028 0.000 1.142 188 P CB 0.422 32.118 31.700 -0.006 0.000 1.722 189 E N 2.788 123.005 120.200 0.028 0.000 2.223 189 E HA 0.206 4.556 4.350 -0.000 0.000 0.282 189 E C -0.693 175.916 176.600 0.015 0.000 1.046 189 E CA -0.683 55.734 56.400 0.028 0.000 0.857 189 E CB 0.801 30.515 29.700 0.023 0.000 1.055 189 E HN 0.068 nan 8.360 nan 0.000 0.409 190 V N 7.705 127.630 119.914 0.018 0.000 2.405 190 V HA 0.095 4.215 4.120 -0.000 0.000 0.264 190 V C 0.661 176.756 176.094 0.002 0.000 1.048 190 V CA -0.215 62.085 62.300 -0.001 0.000 0.966 190 V CB -0.160 31.659 31.823 -0.006 0.000 1.015 190 V HN 0.563 nan 8.190 nan 0.000 0.477 191 I N 5.175 125.739 120.570 -0.009 0.000 2.823 191 I HA 0.373 4.543 4.170 -0.000 0.000 0.290 191 I C -1.380 174.752 176.117 0.026 0.000 1.091 191 I CA -1.621 59.676 61.300 -0.006 0.000 1.365 191 I CB 0.801 38.789 38.000 -0.020 0.000 1.427 191 I HN 0.348 nan 8.210 nan 0.000 0.583 192 P HA 0.135 nan 4.420 nan 0.000 0.252 192 P C -0.353 177.005 177.300 0.096 0.000 1.218 192 P CA 0.056 63.199 63.100 0.072 0.000 0.807 192 P CB 0.006 31.683 31.700 -0.039 0.000 1.072 193 D N 1.174 121.600 120.400 0.043 0.000 2.443 193 D HA 0.333 4.973 4.640 -0.000 0.000 0.234 193 D C 1.349 177.760 176.300 0.185 0.000 1.172 193 D CA 1.752 55.791 54.000 0.065 0.000 0.878 193 D CB -0.200 40.620 40.800 0.033 0.000 1.204 193 D HN 0.274 nan 8.370 nan 0.000 0.453 194 G N 1.025 109.906 108.800 0.136 0.000 2.612 194 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 194 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 194 G C 0.240 175.163 174.900 0.038 0.000 1.274 194 G CA -0.294 44.906 45.100 0.167 0.000 0.849 194 G HN 0.417 nan 8.290 nan 0.000 0.595 195 D N -0.009 120.437 120.400 0.076 0.000 2.183 195 D HA -0.036 4.604 4.640 -0.000 0.000 0.203 195 D C 1.674 177.958 176.300 -0.027 0.000 0.969 195 D CA 1.288 55.300 54.000 0.019 0.000 0.842 195 D CB -0.292 40.562 40.800 0.090 0.000 0.957 195 D HN 0.679 nan 8.370 nan 0.000 0.484 196 H N 0.576 119.692 119.070 0.078 0.000 2.942 196 H HA 0.024 4.579 4.556 -0.000 0.000 0.384 196 H C 0.268 175.666 175.328 0.116 0.000 1.438 196 H CA 0.377 56.496 56.048 0.118 0.000 1.453 196 H CB 0.010 29.816 29.762 0.073 0.000 1.451 196 H HN 0.087 nan 8.280 nan 0.000 0.604 197 D N -0.332 120.221 120.400 0.255 0.000 2.564 197 D HA 0.073 4.713 4.640 -0.000 0.000 0.273 197 D C 1.382 177.774 176.300 0.154 0.000 1.192 197 D CA -0.815 53.301 54.000 0.193 0.000 1.080 197 D CB 0.634 41.573 40.800 0.231 0.000 1.160 197 D HN 0.416 nan 8.370 nan 0.000 0.607 198 L N -0.171 121.037 121.223 -0.025 0.000 1.976 198 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 198 L C 2.212 179.083 176.870 0.002 0.000 1.071 198 L CA 1.914 56.628 54.840 -0.211 0.000 0.746 198 L CB -0.904 40.719 42.059 -0.726 0.000 0.890 198 L HN 0.671 nan 8.230 nan 0.000 0.432 199 E N -1.599 118.638 120.200 0.063 0.000 2.219 199 E HA -0.331 4.019 4.350 -0.000 0.000 0.198 199 E C 2.074 178.795 176.600 0.200 0.000 0.998 199 E CA 1.359 57.830 56.400 0.119 0.000 0.818 199 E CB -0.121 29.646 29.700 0.113 0.000 0.741 199 E HN 0.649 nan 8.360 nan 0.000 0.477 200 H N 0.049 119.171 119.070 0.087 0.000 2.372 200 H HA -0.048 4.508 4.556 -0.000 0.000 0.301 200 H C 2.191 177.570 175.328 0.085 0.000 1.065 200 H CA 1.363 57.451 56.048 0.066 0.000 1.364 200 H CB -0.826 28.969 29.762 0.055 0.000 1.406 200 H HN 0.254 nan 8.280 nan 0.000 0.521 201 C N 0.717 120.104 119.300 0.145 0.000 2.425 201 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 201 C C 2.796 177.844 174.990 0.096 0.000 1.280 201 C CA 1.607 60.648 59.018 0.039 0.000 1.744 201 C CB -1.053 26.743 27.740 0.093 0.000 1.989 201 C HN 0.715 nan 8.230 nan 0.000 0.491 202 Q N -1.395 118.483 119.800 0.130 0.000 2.084 202 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 202 Q C 2.085 178.185 176.000 0.167 0.000 0.978 202 Q CA 2.117 57.993 55.803 0.121 0.000 0.844 202 Q CB -0.535 28.260 28.738 0.095 0.000 0.898 202 Q HN 0.881 nan 8.270 nan 0.000 0.426 203 Y N 0.195 120.549 120.300 0.090 0.000 2.145 203 Y HA -0.228 4.321 4.550 -0.000 0.000 0.286 203 Y C 2.051 177.999 175.900 0.080 0.000 1.145 203 Y CA 1.563 59.719 58.100 0.093 0.000 1.148 203 Y CB -0.090 38.443 38.460 0.123 0.000 0.981 203 Y HN -0.053 nan 8.280 nan 0.000 0.507 204 V N -0.176 119.969 119.914 0.385 0.000 2.332 204 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 204 V C 2.259 178.397 176.094 0.073 0.000 1.055 204 V CA 2.446 64.864 62.300 0.196 0.000 1.038 204 V CB -1.102 30.754 31.823 0.055 0.000 0.651 204 V HN 0.504 nan 8.190 nan 0.000 0.450 205 T N -0.327 114.264 114.554 0.062 0.000 2.708 205 T HA -0.212 4.138 4.350 -0.000 0.000 0.266 205 T C 1.800 176.521 174.700 0.034 0.000 1.037 205 T CA 1.790 63.916 62.100 0.044 0.000 1.146 205 T CB -0.270 68.630 68.868 0.054 0.000 0.865 205 T HN 0.618 nan 8.240 nan 0.000 0.435 206 E N 0.805 121.015 120.200 0.016 0.000 2.110 206 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 206 E C 2.255 178.831 176.600 -0.039 0.000 0.988 206 E CA 0.945 57.339 56.400 -0.009 0.000 0.804 206 E CB -0.117 29.555 29.700 -0.047 0.000 0.745 206 E HN 0.451 nan 8.360 nan 0.000 0.458 207 K N 1.161 121.513 120.400 -0.080 0.000 2.009 207 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 207 K C 2.119 178.716 176.600 -0.006 0.000 1.049 207 K CA 1.448 57.700 56.287 -0.057 0.000 0.929 207 K CB -0.073 32.395 32.500 -0.054 0.000 0.714 207 K HN -0.051 nan 8.250 nan 0.000 0.440 208 V N 1.908 121.828 119.914 0.010 0.000 2.332 208 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 208 V C 2.387 178.486 176.094 0.009 0.000 1.055 208 V CA 1.693 63.998 62.300 0.009 0.000 1.038 208 V CB -0.407 31.423 31.823 0.011 0.000 0.651 208 V HN 0.356 nan 8.190 nan 0.000 0.450 209 L N -0.240 121.006 121.223 0.038 0.000 2.109 209 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 209 L C 2.788 179.741 176.870 0.138 0.000 1.086 209 L CA 1.312 56.205 54.840 0.088 0.000 0.760 209 L CB -0.881 41.262 42.059 0.139 0.000 0.910 209 L HN 0.374 nan 8.230 nan 0.000 0.437 210 A N 0.549 123.426 122.820 0.096 0.000 1.873 210 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 210 A C 2.517 180.138 177.584 0.062 0.000 1.193 210 A CA 2.230 54.317 52.037 0.084 0.000 0.629 210 A CB -0.810 18.208 19.000 0.031 0.000 0.826 210 A HN 0.421 nan 8.150 nan 0.000 0.447 211 A N -0.968 121.865 122.820 0.022 0.000 1.930 211 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 211 A C 2.232 179.791 177.584 -0.042 0.000 1.175 211 A CA 1.649 53.686 52.037 -0.000 0.000 0.627 211 A CB -0.867 18.129 19.000 -0.006 0.000 0.815 211 A HN 0.402 nan 8.150 nan 0.000 0.443 212 V N -1.417 118.442 119.914 -0.092 0.000 2.287 212 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 212 V C 2.372 178.258 176.094 -0.347 0.000 1.053 212 V CA 2.140 64.288 62.300 -0.253 0.000 1.027 212 V CB -0.970 30.662 31.823 -0.318 0.000 0.646 212 V HN 0.672 nan 8.190 nan 0.000 0.447 213 Y N 0.270 120.564 120.300 -0.010 0.000 2.263 213 Y HA -0.140 4.410 4.550 -0.000 0.000 0.292 213 Y C 2.447 178.346 175.900 -0.002 0.000 1.130 213 Y CA 1.726 59.822 58.100 -0.007 0.000 1.179 213 Y CB -0.414 38.047 38.460 0.002 0.000 0.998 213 Y HN 0.161 nan 8.280 nan 0.000 0.532 214 K N 0.893 121.357 120.400 0.106 0.000 2.057 214 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 214 K C 2.110 178.733 176.600 0.038 0.000 1.049 214 K CA 1.519 57.846 56.287 0.068 0.000 0.931 214 K CB -0.659 31.870 32.500 0.048 0.000 0.714 214 K HN 0.174 nan 8.250 nan 0.000 0.440 215 A N 0.298 123.118 122.820 -0.000 0.000 1.930 215 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 215 A C 1.986 179.569 177.584 -0.002 0.000 1.175 215 A CA 1.328 53.362 52.037 -0.004 0.000 0.627 215 A CB -0.552 18.391 19.000 -0.094 0.000 0.815 215 A HN 0.284 nan 8.150 nan 0.000 0.443 216 L N 0.178 121.364 121.223 -0.061 0.000 2.093 216 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 216 L C 2.095 178.998 176.870 0.056 0.000 1.085 216 L CA 2.062 56.880 54.840 -0.036 0.000 0.755 216 L CB -1.435 40.595 42.059 -0.048 0.000 0.904 216 L HN 0.609 nan 8.230 nan 0.000 0.435 217 N N -0.718 118.027 118.700 0.075 0.000 2.166 217 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 217 N C 1.407 176.917 175.510 -0.000 0.000 1.019 217 N CA 1.182 54.274 53.050 0.069 0.000 0.856 217 N CB 0.131 38.665 38.487 0.079 0.000 0.993 217 N HN 0.261 nan 8.380 nan 0.000 0.426 218 D N -0.505 119.890 120.400 -0.009 0.000 2.144 218 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 218 D C 0.808 176.858 176.300 -0.418 0.000 0.978 218 D CA 1.035 54.945 54.000 -0.149 0.000 0.833 218 D CB -0.428 40.349 40.800 -0.039 0.000 0.961 218 D HN 0.546 nan 8.370 nan 0.000 0.470 219 H N -0.243 118.651 119.070 -0.293 0.000 2.566 219 H HA 0.044 4.600 4.556 -0.000 0.000 0.280 219 H C -0.068 175.148 175.328 -0.187 0.000 1.042 219 H CA 0.174 56.057 56.048 -0.275 0.000 1.168 219 H CB -0.265 29.420 29.762 -0.129 0.000 1.340 219 H HN 0.434 nan 8.280 nan 0.000 0.597 220 H N -1.744 117.374 119.070 0.080 0.000 2.861 220 H HA -0.139 4.417 4.556 -0.000 0.000 0.289 220 H C 0.134 175.514 175.328 0.086 0.000 1.176 220 H CA -0.044 56.042 56.048 0.064 0.000 1.146 220 H CB -1.697 28.086 29.762 0.035 0.000 1.330 220 H HN 0.067 nan 8.280 nan 0.000 0.379 221 V N 0.641 120.649 119.914 0.157 0.000 2.740 221 V HA -0.094 4.026 4.120 -0.000 0.000 0.303 221 V C 0.531 176.729 176.094 0.174 0.000 1.054 221 V CA 0.185 62.562 62.300 0.128 0.000 1.106 221 V CB 0.311 32.164 31.823 0.051 0.000 0.957 221 V HN 0.318 nan 8.190 nan 0.000 0.486 222 Y N 4.946 125.265 120.300 0.032 0.000 2.535 222 Y HA 0.324 4.874 4.550 -0.000 0.000 0.349 222 Y C 0.865 176.784 175.900 0.032 0.000 0.992 222 Y CA -0.483 57.635 58.100 0.031 0.000 1.248 222 Y CB 0.232 38.702 38.460 0.017 0.000 1.124 222 Y HN 0.600 nan 8.280 nan 0.000 0.520 223 L N 3.110 124.224 121.223 -0.182 0.000 2.013 223 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 223 L C 1.628 178.311 176.870 -0.311 0.000 1.073 223 L CA 1.730 56.471 54.840 -0.165 0.000 0.753 223 L CB -0.243 41.762 42.059 -0.090 0.000 0.890 223 L HN 0.565 nan 8.230 nan 0.000 0.432 224 E N 0.082 119.907 120.200 -0.625 0.000 2.393 224 E HA -0.142 4.208 4.350 -0.000 0.000 0.201 224 E C 1.493 177.858 176.600 -0.393 0.000 1.025 224 E CA 1.021 57.092 56.400 -0.549 0.000 0.856 224 E CB -0.288 28.994 29.700 -0.695 0.000 0.771 224 E HN 0.469 nan 8.360 nan 0.000 0.526 225 G N -0.527 108.061 108.800 -0.352 0.000 3.936 225 G HA2 0.190 4.150 3.960 -0.000 0.000 0.296 225 G HA3 0.190 4.150 3.960 -0.000 0.000 0.296 225 G C -0.091 174.800 174.900 -0.015 0.000 1.121 225 G CA -0.219 44.858 45.100 -0.038 0.000 0.899 225 G HN 0.023 nan 8.290 nan 0.000 0.542 226 T N -0.148 114.375 114.554 -0.052 0.000 2.865 226 T HA 0.727 5.077 4.350 -0.000 0.000 0.294 226 T C -1.318 173.357 174.700 -0.041 0.000 1.119 226 T CA -0.341 61.742 62.100 -0.027 0.000 1.007 226 T CB 1.958 70.822 68.868 -0.006 0.000 1.225 226 T HN 0.001 nan 8.240 nan 0.000 0.515 227 L N 1.755 122.956 121.223 -0.036 0.000 2.472 227 L HA 0.636 4.976 4.340 -0.000 0.000 0.260 227 L C -1.518 175.320 176.870 -0.053 0.000 0.963 227 L CA -0.947 53.845 54.840 -0.081 0.000 0.829 227 L CB 2.240 44.215 42.059 -0.141 0.000 1.348 227 L HN 0.411 nan 8.230 nan 0.000 0.408 228 L N 3.004 124.170 121.223 -0.095 0.000 2.325 228 L HA 0.521 4.861 4.340 -0.000 0.000 0.278 228 L C -0.482 176.296 176.870 -0.155 0.000 1.023 228 L CA 0.006 54.798 54.840 -0.080 0.000 0.811 228 L CB 1.329 43.335 42.059 -0.089 0.000 1.249 228 L HN 0.575 nan 8.230 nan 0.000 0.431 229 K N 6.612 126.959 120.400 -0.090 0.000 2.753 229 K HA 0.483 4.803 4.320 -0.000 0.000 0.185 229 K C -2.808 173.778 176.600 -0.023 0.000 1.071 229 K CA -1.472 54.767 56.287 -0.079 0.000 0.999 229 K CB 0.976 33.476 32.500 -0.000 0.000 1.244 229 K HN 0.436 nan 8.250 nan 0.000 0.594 230 P HA 0.181 nan 4.420 nan 0.000 0.284 230 P C -1.241 176.168 177.300 0.182 0.000 1.287 230 P CA -0.655 62.476 63.100 0.052 0.000 0.824 230 P CB 0.866 32.586 31.700 0.033 0.000 1.180 231 N N -0.365 118.425 118.700 0.151 0.000 2.530 231 N HA 0.266 5.006 4.740 -0.000 0.000 0.277 231 N C 0.440 176.058 175.510 0.179 0.000 1.168 231 N CA -0.534 52.612 53.050 0.159 0.000 0.979 231 N CB 0.027 38.565 38.487 0.085 0.000 1.141 231 N HN 0.285 nan 8.380 nan 0.000 0.459 232 M N 0.572 120.229 119.600 0.096 0.000 2.167 232 M HA 0.104 4.584 4.480 -0.000 0.000 0.300 232 M C -0.352 175.941 176.300 -0.012 0.000 1.171 232 M CA -0.550 54.714 55.300 -0.060 0.000 1.171 232 M CB 0.579 33.039 32.600 -0.233 0.000 1.396 232 M HN 0.314 nan 8.290 nan 0.000 0.466 233 V N 1.287 121.181 119.914 -0.034 0.000 2.364 233 V HA 0.465 4.585 4.120 -0.000 0.000 0.272 233 V C 0.141 176.191 176.094 -0.073 0.000 1.036 233 V CA -0.289 61.999 62.300 -0.020 0.000 0.880 233 V CB 0.570 32.388 31.823 -0.008 0.000 0.991 233 V HN 1.007 nan 8.190 nan 0.000 0.460 234 T N 2.176 116.687 114.554 -0.072 0.000 2.843 234 T HA 0.821 5.171 4.350 -0.000 0.000 0.302 234 T C -0.286 174.362 174.700 -0.086 0.000 1.232 234 T CA -0.286 61.747 62.100 -0.111 0.000 1.009 234 T CB 1.869 70.708 68.868 -0.048 0.000 1.254 234 T HN 0.887 nan 8.240 nan 0.000 0.504 235 A N 0.787 123.525 122.820 -0.136 0.000 2.313 235 A HA 0.760 5.080 4.320 -0.000 0.000 0.261 235 A C 1.046 178.537 177.584 -0.155 0.000 1.090 235 A CA -0.085 51.898 52.037 -0.090 0.000 0.807 235 A CB -0.559 18.480 19.000 0.065 0.000 1.055 235 A HN 1.471 nan 8.150 nan 0.000 0.492 236 G N -1.506 106.952 108.800 -0.570 0.000 2.636 236 G HA2 0.286 4.246 3.960 -0.000 0.000 0.246 236 G HA3 0.286 4.246 3.960 -0.000 0.000 0.246 236 G C 0.679 175.496 174.900 -0.138 0.000 1.216 236 G CA 0.144 44.856 45.100 -0.646 0.000 0.854 236 G HN 0.871 nan 8.290 nan 0.000 0.572 237 H N 1.141 120.121 119.070 -0.150 0.000 2.353 237 H HA -0.121 4.435 4.556 -0.000 0.000 0.298 237 H C 2.650 177.938 175.328 -0.066 0.000 1.103 237 H CA 2.051 58.055 56.048 -0.073 0.000 1.293 237 H CB -0.099 29.642 29.762 -0.036 0.000 1.372 237 H HN 0.454 nan 8.280 nan 0.000 0.501 238 A N -0.684 122.161 122.820 0.041 0.000 2.251 238 A HA 0.121 4.441 4.320 -0.000 0.000 0.209 238 A C 1.000 178.559 177.584 -0.042 0.000 1.187 238 A CA 0.256 52.283 52.037 -0.017 0.000 0.823 238 A CB -0.795 18.215 19.000 0.017 0.000 0.846 238 A HN 0.453 nan 8.150 nan 0.000 0.486 239 C N 0.952 120.215 119.300 -0.062 0.000 2.601 239 C HA 0.413 4.873 4.460 -0.000 0.000 0.409 239 C C 2.247 177.227 174.990 -0.018 0.000 1.293 239 C CA 0.477 59.478 59.018 -0.029 0.000 2.101 239 C CB 0.143 27.874 27.740 -0.015 0.000 2.639 239 C HN 0.651 nan 8.230 nan 0.000 0.592 240 T N 1.937 116.480 114.554 -0.018 0.000 3.043 240 T HA 0.050 4.400 4.350 -0.000 0.000 0.263 240 T C 0.625 175.291 174.700 -0.056 0.000 1.094 240 T CA 0.538 62.616 62.100 -0.036 0.000 1.127 240 T CB -0.195 68.653 68.868 -0.035 0.000 0.905 240 T HN 0.819 nan 8.240 nan 0.000 0.490 241 K N 1.998 122.362 120.400 -0.061 0.000 2.436 241 K HA 0.217 4.537 4.320 -0.000 0.000 0.275 241 K C -0.111 176.360 176.600 -0.216 0.000 0.999 241 K CA -0.215 55.960 56.287 -0.187 0.000 0.980 241 K CB 0.405 32.740 32.500 -0.275 0.000 0.919 241 K HN 0.078 nan 8.250 nan 0.000 0.484 242 K N 2.763 122.980 120.400 -0.305 0.000 2.156 242 K HA 0.292 4.612 4.320 -0.000 0.000 0.271 242 K C -0.596 175.788 176.600 -0.359 0.000 0.995 242 K CA -0.293 55.867 56.287 -0.212 0.000 0.890 242 K CB 0.741 33.165 32.500 -0.127 0.000 1.073 242 K HN 0.432 nan 8.250 nan 0.000 0.454 243 Y N -0.618 119.677 120.300 -0.008 0.000 2.686 243 Y HA 0.347 4.897 4.550 -0.000 0.000 0.330 243 Y C 0.852 176.750 175.900 -0.003 0.000 1.082 243 Y CA -0.680 57.418 58.100 -0.003 0.000 1.158 243 Y CB 2.016 40.477 38.460 0.002 0.000 1.333 243 Y HN 0.366 nan 8.280 nan 0.000 0.519 244 T N 1.789 116.462 114.554 0.198 0.000 2.945 244 T HA 0.241 4.591 4.350 -0.000 0.000 0.286 244 T C -1.949 172.801 174.700 0.082 0.000 1.025 244 T CA -1.987 60.175 62.100 0.102 0.000 1.039 244 T CB 1.350 70.263 68.868 0.074 0.000 1.068 244 T HN 0.326 nan 8.240 nan 0.000 0.497 245 P HA -0.127 nan 4.420 nan 0.000 0.216 245 P C 1.074 178.390 177.300 0.027 0.000 1.157 245 P CA 1.238 64.358 63.100 0.033 0.000 0.880 245 P CB 0.249 31.973 31.700 0.040 0.000 0.791 246 E N -0.637 119.585 120.200 0.037 0.000 2.085 246 E HA -0.203 4.146 4.350 -0.000 0.000 0.194 246 E C 2.185 178.807 176.600 0.037 0.000 0.994 246 E CA 1.310 57.731 56.400 0.035 0.000 0.801 246 E CB -0.704 29.018 29.700 0.036 0.000 0.743 246 E HN 0.416 nan 8.360 nan 0.000 0.453 247 Q N -0.310 119.527 119.800 0.061 0.000 2.123 247 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 247 Q C 2.240 178.245 176.000 0.009 0.000 0.966 247 Q CA 0.977 56.823 55.803 0.072 0.000 0.845 247 Q CB 0.069 28.915 28.738 0.179 0.000 0.907 247 Q HN 0.155 nan 8.270 nan 0.000 0.439 248 V N 1.069 120.976 119.914 -0.011 0.000 2.490 248 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 248 V C 2.195 178.253 176.094 -0.061 0.000 1.061 248 V CA 1.842 64.102 62.300 -0.067 0.000 1.064 248 V CB -0.722 31.066 31.823 -0.057 0.000 0.670 248 V HN 0.383 nan 8.190 nan 0.000 0.461 249 A N -0.590 122.211 122.820 -0.032 0.000 1.897 249 A HA -0.212 4.107 4.320 -0.000 0.000 0.215 249 A C 2.130 179.706 177.584 -0.013 0.000 1.181 249 A CA 2.171 54.190 52.037 -0.031 0.000 0.620 249 A CB -0.417 18.578 19.000 -0.008 0.000 0.821 249 A HN 0.522 nan 8.150 nan 0.000 0.443 250 M N -0.225 119.373 119.600 -0.003 0.000 2.236 250 M HA 0.190 4.670 4.480 -0.000 0.000 0.266 250 M C 2.018 178.320 176.300 0.003 0.000 1.070 250 M CA 1.627 56.928 55.300 0.001 0.000 1.137 250 M CB -0.257 32.349 32.600 0.010 0.000 1.378 250 M HN 0.286 nan 8.290 nan 0.000 0.426 251 A N -0.851 121.966 122.820 -0.004 0.000 1.972 251 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 251 A C 2.136 179.730 177.584 0.017 0.000 1.169 251 A CA 2.120 54.158 52.037 0.003 0.000 0.635 251 A CB -1.195 17.784 19.000 -0.035 0.000 0.810 251 A HN 0.567 nan 8.150 nan 0.000 0.446 252 T N -1.034 113.520 114.554 0.000 0.000 2.894 252 T HA -0.022 4.328 4.350 -0.000 0.000 0.258 252 T C 1.822 176.569 174.700 0.078 0.000 1.043 252 T CA 1.362 63.476 62.100 0.023 0.000 1.141 252 T CB -0.145 68.690 68.868 -0.055 0.000 0.873 252 T HN 0.119 nan 8.240 nan 0.000 0.449 253 V N 1.622 121.578 119.914 0.069 0.000 2.548 253 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 253 V C 2.695 178.837 176.094 0.080 0.000 1.055 253 V CA 1.636 64.004 62.300 0.114 0.000 1.065 253 V CB -0.818 31.062 31.823 0.096 0.000 0.681 253 V HN 0.522 nan 8.190 nan 0.000 0.462 254 T N 0.542 115.116 114.554 0.033 0.000 2.737 254 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 254 T C 2.119 176.965 174.700 0.244 0.000 1.038 254 T CA 1.573 63.717 62.100 0.074 0.000 1.144 254 T CB -0.399 68.511 68.868 0.070 0.000 0.866 254 T HN 0.552 nan 8.240 nan 0.000 0.434 255 A N 1.339 124.255 122.820 0.160 0.000 1.908 255 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 255 A C 2.275 179.968 177.584 0.181 0.000 1.181 255 A CA 1.362 53.487 52.037 0.147 0.000 0.627 255 A CB -0.875 18.185 19.000 0.099 0.000 0.818 255 A HN 0.499 nan 8.150 nan 0.000 0.445 256 L N -0.637 120.701 121.223 0.191 0.000 2.217 256 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 256 L C 2.604 179.699 176.870 0.376 0.000 1.107 256 L CA 1.223 56.153 54.840 0.150 0.000 0.783 256 L CB -0.699 41.301 42.059 -0.098 0.000 0.919 256 L HN 0.741 nan 8.230 nan 0.000 0.442 257 H N 0.250 119.532 119.070 0.353 0.000 2.529 257 H HA 0.023 4.579 4.556 -0.000 0.000 0.277 257 H C 1.780 177.213 175.328 0.175 0.000 0.999 257 H CA 0.471 56.744 56.048 0.375 0.000 1.256 257 H CB 0.010 29.937 29.762 0.275 0.000 1.402 257 H HN 0.200 nan 8.280 nan 0.000 0.566 258 R N 0.732 121.304 120.500 0.122 0.000 2.153 258 R HA 0.016 4.356 4.340 -0.000 0.000 0.218 258 R C 1.664 177.972 176.300 0.014 0.000 1.072 258 R CA 1.430 57.506 56.100 -0.039 0.000 0.990 258 R CB -0.583 29.722 30.300 0.008 0.000 0.889 258 R HN 0.630 nan 8.270 nan 0.000 0.452 259 T N -3.504 111.098 114.554 0.080 0.000 2.954 259 T HA 0.218 4.568 4.350 -0.000 0.000 0.252 259 T C 0.649 175.343 174.700 -0.009 0.000 0.983 259 T CA -0.287 61.848 62.100 0.058 0.000 0.941 259 T CB 0.226 69.154 68.868 0.101 0.000 1.141 259 T HN -0.151 nan 8.240 nan 0.000 0.500 260 V N 4.205 124.123 119.914 0.007 0.000 2.368 260 V HA 0.389 4.509 4.120 -0.000 0.000 0.266 260 V C -2.462 173.627 176.094 -0.008 0.000 1.045 260 V CA -2.057 60.118 62.300 -0.209 0.000 0.899 260 V CB 0.761 32.510 31.823 -0.124 0.000 1.006 260 V HN 0.224 nan 8.190 nan 0.000 0.470 261 P HA 0.083 nan 4.420 nan 0.000 0.267 261 P C 0.697 178.007 177.300 0.016 0.000 1.200 261 P CA 0.026 63.044 63.100 -0.136 0.000 0.772 261 P CB 0.772 32.331 31.700 -0.235 0.000 0.855 262 A N 3.267 126.041 122.820 -0.077 0.000 2.178 262 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 262 A C 1.968 179.507 177.584 -0.076 0.000 1.157 262 A CA 1.825 53.756 52.037 -0.177 0.000 0.689 262 A CB -1.268 17.600 19.000 -0.221 0.000 0.787 262 A HN 0.572 nan 8.150 nan 0.000 0.465 263 A N -0.539 122.245 122.820 -0.060 0.000 1.970 263 A HA 0.248 4.568 4.320 -0.000 0.000 0.216 263 A C 1.074 178.624 177.584 -0.055 0.000 1.170 263 A CA 0.576 52.565 52.037 -0.081 0.000 0.645 263 A CB -0.529 18.405 19.000 -0.110 0.000 0.816 263 A HN 0.297 nan 8.150 nan 0.000 0.447 264 V N 2.650 122.565 119.914 0.002 0.000 2.458 264 V HA 0.022 4.142 4.120 -0.000 0.000 0.287 264 V C -0.936 175.205 176.094 0.078 0.000 1.009 264 V CA -0.075 62.236 62.300 0.019 0.000 1.091 264 V CB 0.840 32.672 31.823 0.015 0.000 0.960 264 V HN 0.445 nan 8.190 nan 0.000 0.476 265 P HA 0.144 nan 4.420 nan 0.000 0.240 265 P C 0.530 177.848 177.300 0.029 0.000 1.190 265 P CA 0.758 63.866 63.100 0.012 0.000 0.781 265 P CB 0.736 32.411 31.700 -0.042 0.000 0.931 266 G N 0.359 109.146 108.800 -0.021 0.000 2.732 266 G HA2 0.525 4.485 3.960 -0.000 0.000 0.296 266 G HA3 0.525 4.485 3.960 -0.000 0.000 0.296 266 G C -1.961 172.818 174.900 -0.201 0.000 1.448 266 G CA -0.503 44.550 45.100 -0.078 0.000 0.911 266 G HN 0.139 nan 8.290 nan 0.000 0.528 267 I N 0.092 120.480 120.570 -0.303 0.000 2.468 267 I HA 0.604 4.774 4.170 -0.000 0.000 0.285 267 I C -1.220 174.532 176.117 -0.608 0.000 1.039 267 I CA -0.749 60.248 61.300 -0.504 0.000 1.074 267 I CB 1.204 38.781 38.000 -0.706 0.000 1.228 267 I HN 0.434 nan 8.210 nan 0.000 0.436 268 C N 7.273 126.272 119.300 -0.501 0.000 2.271 268 C HA 0.515 4.975 4.460 -0.000 0.000 0.323 268 C C 0.024 174.842 174.990 -0.286 0.000 1.245 268 C CA -0.576 58.201 59.018 -0.402 0.000 1.548 268 C CB -0.210 27.341 27.740 -0.314 0.000 2.214 268 C HN 0.651 nan 8.230 nan 0.000 0.477 269 F N 3.414 123.334 119.950 -0.051 0.000 2.471 269 F HA 0.398 4.925 4.527 -0.000 0.000 0.353 269 F C 0.811 176.738 175.800 0.211 0.000 1.113 269 F CA -0.768 57.276 58.000 0.073 0.000 1.262 269 F CB 0.529 39.608 39.000 0.131 0.000 1.146 269 F HN 0.488 nan 8.300 nan 0.000 0.578 270 L N 0.484 121.943 121.223 0.394 0.000 2.436 270 L HA 0.431 4.771 4.340 -0.000 0.000 0.265 270 L C 0.790 177.864 176.870 0.340 0.000 1.168 270 L CA -0.003 55.042 54.840 0.342 0.000 0.815 270 L CB 0.848 43.022 42.059 0.191 0.000 1.109 270 L HN 0.662 nan 8.230 nan 0.000 0.462 271 S N -0.589 115.220 115.700 0.182 0.000 2.506 271 S HA 0.274 4.744 4.470 -0.000 0.000 0.219 271 S C 1.252 175.819 174.600 -0.055 0.000 1.031 271 S CA 0.119 58.272 58.200 -0.080 0.000 0.911 271 S CB -0.546 62.321 63.200 -0.555 0.000 0.812 271 S HN 1.596 nan 8.310 nan 0.000 0.497 272 G N 1.565 110.358 108.800 -0.012 0.000 2.306 272 G HA2 0.162 4.122 3.960 -0.000 0.000 0.274 272 G HA3 0.162 4.122 3.960 -0.000 0.000 0.274 272 G C 1.106 175.966 174.900 -0.068 0.000 0.890 272 G CA 0.302 45.384 45.100 -0.030 0.000 1.298 272 G HN 1.789 nan 8.290 nan 0.000 0.445 273 G N -0.371 108.386 108.800 -0.071 0.000 2.179 273 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 273 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 273 G C 0.640 175.519 174.900 -0.036 0.000 0.977 273 G CA 0.980 46.041 45.100 -0.065 0.000 0.641 273 G HN 0.976 nan 8.290 nan 0.000 0.533 274 M N 1.817 121.378 119.600 -0.065 0.000 2.228 274 M HA 0.442 4.922 4.480 -0.000 0.000 0.326 274 M C 1.518 177.774 176.300 -0.073 0.000 1.122 274 M CA 0.266 55.534 55.300 -0.053 0.000 1.161 274 M CB 0.863 33.405 32.600 -0.098 0.000 1.437 274 M HN 0.513 nan 8.290 nan 0.000 0.465 275 S N 0.842 116.512 115.700 -0.049 0.000 2.580 275 S HA 0.038 4.508 4.470 -0.000 0.000 0.266 275 S C 0.669 175.207 174.600 -0.103 0.000 1.354 275 S CA -0.460 57.707 58.200 -0.054 0.000 1.008 275 S CB 0.435 63.618 63.200 -0.029 0.000 0.898 275 S HN 0.759 nan 8.310 nan 0.000 0.555 276 E N 0.605 120.749 120.200 -0.093 0.000 2.085 276 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 276 E C 1.875 178.395 176.600 -0.133 0.000 0.994 276 E CA 1.452 57.774 56.400 -0.130 0.000 0.801 276 E CB -0.182 29.468 29.700 -0.084 0.000 0.743 276 E HN 0.845 nan 8.360 nan 0.000 0.453 277 E N 1.199 121.350 120.200 -0.082 0.000 2.072 277 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 277 E C 1.454 178.019 176.600 -0.059 0.000 0.985 277 E CA 1.282 57.641 56.400 -0.069 0.000 0.801 277 E CB 0.021 29.719 29.700 -0.004 0.000 0.750 277 E HN 0.090 nan 8.360 nan 0.000 0.452 278 D N -0.223 120.151 120.400 -0.044 0.000 2.263 278 D HA -0.088 4.552 4.640 -0.000 0.000 0.208 278 D C 1.599 177.853 176.300 -0.077 0.000 0.971 278 D CA 1.089 55.069 54.000 -0.034 0.000 0.867 278 D CB -0.229 40.558 40.800 -0.021 0.000 0.929 278 D HN 0.319 nan 8.370 nan 0.000 0.492 279 A N 0.112 122.842 122.820 -0.150 0.000 1.898 279 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 279 A C 2.343 179.884 177.584 -0.071 0.000 1.181 279 A CA 1.813 53.725 52.037 -0.209 0.000 0.620 279 A CB -0.710 17.961 19.000 -0.549 0.000 0.819 279 A HN 0.197 nan 8.150 nan 0.000 0.442 280 T N 0.511 114.979 114.554 -0.144 0.000 2.770 280 T HA -0.038 4.312 4.350 -0.000 0.000 0.263 280 T C 1.831 176.430 174.700 -0.168 0.000 1.039 280 T CA 1.337 63.299 62.100 -0.230 0.000 1.142 280 T CB -0.417 68.128 68.868 -0.538 0.000 0.868 280 T HN 0.336 nan 8.240 nan 0.000 0.435 281 L N 1.246 122.415 121.223 -0.089 0.000 2.081 281 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 281 L C 2.489 179.379 176.870 0.034 0.000 1.080 281 L CA 1.040 55.910 54.840 0.050 0.000 0.754 281 L CB -0.562 41.555 42.059 0.097 0.000 0.893 281 L HN 0.226 nan 8.230 nan 0.000 0.433 282 N N -0.280 118.416 118.700 -0.007 0.000 2.290 282 N HA -0.103 4.637 4.740 -0.000 0.000 0.179 282 N C 1.739 177.228 175.510 -0.036 0.000 1.016 282 N CA 0.767 53.799 53.050 -0.030 0.000 0.871 282 N CB -0.210 38.235 38.487 -0.071 0.000 0.987 282 N HN 0.170 nan 8.380 nan 0.000 0.431 283 L N 1.373 122.595 121.223 -0.002 0.000 2.131 283 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 283 L C 1.686 178.600 176.870 0.074 0.000 1.092 283 L CA 1.621 56.487 54.840 0.043 0.000 0.759 283 L CB -0.708 41.453 42.059 0.169 0.000 0.903 283 L HN 0.110 nan 8.230 nan 0.000 0.435 284 N N -0.418 118.325 118.700 0.072 0.000 2.171 284 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 284 N C 1.876 177.440 175.510 0.091 0.000 1.021 284 N CA 1.383 54.498 53.050 0.109 0.000 0.854 284 N CB -0.209 38.380 38.487 0.169 0.000 0.994 284 N HN 0.439 nan 8.380 nan 0.000 0.426 285 A N 1.022 123.883 122.820 0.069 0.000 1.883 285 A HA -0.112 4.207 4.320 -0.000 0.000 0.217 285 A C 2.247 179.858 177.584 0.045 0.000 1.186 285 A CA 1.362 53.430 52.037 0.051 0.000 0.624 285 A CB -1.004 18.016 19.000 0.034 0.000 0.822 285 A HN 0.426 nan 8.150 nan 0.000 0.444 286 I N -0.128 120.457 120.570 0.025 0.000 2.185 286 I HA -0.348 3.822 4.170 -0.000 0.000 0.246 286 I C 1.882 178.060 176.117 0.101 0.000 1.088 286 I CA 2.026 63.353 61.300 0.046 0.000 1.347 286 I CB -0.613 37.396 38.000 0.014 0.000 1.041 286 I HN 0.402 nan 8.210 nan 0.000 0.415 287 N N 0.211 118.979 118.700 0.113 0.000 2.494 287 N HA -0.002 4.738 4.740 -0.000 0.000 0.182 287 N C 1.335 176.900 175.510 0.091 0.000 1.076 287 N CA 0.569 53.691 53.050 0.121 0.000 0.908 287 N CB 0.127 38.688 38.487 0.123 0.000 0.967 287 N HN 0.324 nan 8.380 nan 0.000 0.449 288 L N -0.915 120.353 121.223 0.075 0.000 2.616 288 L HA 0.261 4.601 4.340 -0.000 0.000 0.229 288 L C 0.317 177.215 176.870 0.047 0.000 1.110 288 L CA -0.462 54.413 54.840 0.058 0.000 0.884 288 L CB 0.164 42.254 42.059 0.052 0.000 1.115 288 L HN 0.120 nan 8.230 nan 0.000 0.481 289 C N 3.758 123.087 119.300 0.050 0.000 2.523 289 C HA 0.067 4.527 4.460 -0.000 0.000 0.406 289 C C -1.250 173.754 174.990 0.022 0.000 1.449 289 C CA -0.945 58.093 59.018 0.033 0.000 1.588 289 C CB 0.000 27.761 27.740 0.035 0.000 2.514 289 C HN 0.165 nan 8.230 nan 0.000 0.606 290 P HA 0.248 nan 4.420 nan 0.000 0.230 290 P C -0.691 176.600 177.300 -0.016 0.000 1.791 290 P CA 0.134 63.236 63.100 0.003 0.000 1.020 290 P CB -0.101 31.602 31.700 0.006 0.000 1.977 291 L N 3.035 124.242 121.223 -0.027 0.000 2.376 291 L HA 0.621 4.961 4.340 -0.000 0.000 0.258 291 L C -2.527 174.321 176.870 -0.036 0.000 1.013 291 L CA -2.604 52.190 54.840 -0.077 0.000 0.822 291 L CB 2.130 44.078 42.059 -0.185 0.000 1.388 291 L HN -0.113 nan 8.230 nan 0.000 0.413 292 P HA 0.204 nan 4.420 nan 0.000 0.263 292 P C -1.381 175.855 177.300 -0.106 0.000 1.195 292 P CA 0.091 63.173 63.100 -0.031 0.000 0.762 292 P CB 0.210 31.939 31.700 0.049 0.000 0.799 293 K N 4.738 125.025 120.400 -0.187 0.000 2.842 293 K HA 0.188 4.508 4.320 -0.000 0.000 0.176 293 K C -1.585 174.686 176.600 -0.548 0.000 1.080 293 K CA -1.047 55.072 56.287 -0.280 0.000 0.954 293 K CB 0.946 33.532 32.500 0.144 0.000 1.203 293 K HN 0.344 nan 8.250 nan 0.000 0.611 294 P HA -0.162 nan 4.420 nan 0.000 0.226 294 P C -0.601 176.391 177.300 -0.514 0.000 1.146 294 P CA 0.846 63.514 63.100 -0.720 0.000 0.773 294 P CB 0.178 31.390 31.700 -0.813 0.000 0.772 295 W N -0.098 121.181 121.300 -0.035 0.000 2.736 295 W HA 0.473 5.133 4.660 -0.000 0.000 0.355 295 W C 0.098 176.588 176.519 -0.048 0.000 1.102 295 W CA -1.455 55.856 57.345 -0.056 0.000 1.164 295 W CB 0.308 29.719 29.460 -0.082 0.000 1.422 295 W HN -0.417 nan 8.180 nan 0.000 0.572 296 K N 1.827 122.357 120.400 0.217 0.000 2.414 296 K HA 0.270 4.590 4.320 -0.000 0.000 0.272 296 K C -0.432 176.222 176.600 0.089 0.000 0.993 296 K CA -0.195 56.159 56.287 0.112 0.000 0.964 296 K CB 0.561 33.065 32.500 0.006 0.000 0.925 296 K HN 0.435 nan 8.250 nan 0.000 0.487 297 L N 1.780 123.054 121.223 0.085 0.000 2.353 297 L HA 0.227 4.567 4.340 -0.000 0.000 0.270 297 L C 0.407 177.324 176.870 0.078 0.000 1.003 297 L CA -0.282 54.594 54.840 0.060 0.000 0.862 297 L CB 1.580 43.772 42.059 0.221 0.000 1.221 297 L HN 0.577 nan 8.230 nan 0.000 0.430 298 S N 2.151 117.822 115.700 -0.049 0.000 2.841 298 S HA 0.756 5.226 4.470 -0.000 0.000 0.274 298 S C -0.978 173.610 174.600 -0.021 0.000 1.044 298 S CA -0.379 57.787 58.200 -0.056 0.000 0.952 298 S CB 1.115 64.136 63.200 -0.299 0.000 1.331 298 S HN 0.324 nan 8.310 nan 0.000 0.610 299 F N 0.198 119.976 119.950 -0.288 0.000 2.576 299 F HA 0.806 5.333 4.527 -0.000 0.000 0.313 299 F C -0.341 175.197 175.800 -0.437 0.000 1.078 299 F CA -0.837 56.778 58.000 -0.641 0.000 0.921 299 F CB 1.746 39.921 39.000 -1.375 0.000 1.232 299 F HN 0.312 nan 8.300 nan 0.000 0.459 300 S N 2.845 118.436 115.700 -0.182 0.000 2.317 300 S HA 0.419 4.889 4.470 -0.000 0.000 0.144 300 S C -1.688 173.097 174.600 0.308 0.000 1.660 300 S CA -0.271 57.945 58.200 0.027 0.000 1.273 300 S CB -0.487 62.708 63.200 -0.008 0.000 1.330 300 S HN 0.695 nan 8.310 nan 0.000 0.395 301 Y N 1.354 121.851 120.300 0.328 0.000 2.320 301 Y HA 0.481 5.031 4.550 -0.000 0.000 0.334 301 Y C 1.529 177.538 175.900 0.182 0.000 1.055 301 Y CA -0.830 57.410 58.100 0.233 0.000 1.143 301 Y CB 1.730 40.319 38.460 0.214 0.000 1.193 301 Y HN 0.618 nan 8.280 nan 0.000 0.477 302 G N 2.920 111.886 108.800 0.277 0.000 2.600 302 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.225 302 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.225 302 G C 1.324 176.292 174.900 0.113 0.000 1.623 302 G CA -0.262 44.936 45.100 0.164 0.000 0.903 302 G HN 0.565 nan 8.290 nan 0.000 0.574 303 R N 0.960 121.490 120.500 0.049 0.000 2.091 303 R HA -0.023 4.317 4.340 -0.000 0.000 0.238 303 R C 2.660 178.961 176.300 0.001 0.000 1.136 303 R CA 1.272 57.381 56.100 0.014 0.000 0.959 303 R CB -0.744 29.542 30.300 -0.022 0.000 0.856 303 R HN 0.314 nan 8.270 nan 0.000 0.437 304 A N 0.833 123.610 122.820 -0.071 0.000 2.259 304 A HA -0.016 4.304 4.320 -0.000 0.000 0.212 304 A C 1.875 179.449 177.584 -0.016 0.000 1.178 304 A CA 0.910 52.851 52.037 -0.160 0.000 0.734 304 A CB -0.192 18.488 19.000 -0.534 0.000 0.774 304 A HN 0.222 nan 8.150 nan 0.000 0.481 305 L N -2.569 118.724 121.223 0.116 0.000 2.781 305 L HA 0.135 4.475 4.340 -0.000 0.000 0.245 305 L C 2.003 179.024 176.870 0.251 0.000 1.118 305 L CA 0.283 55.255 54.840 0.220 0.000 0.918 305 L CB 0.297 42.572 42.059 0.360 0.000 1.246 305 L HN 0.335 nan 8.230 nan 0.000 0.526 306 Q N -0.846 119.051 119.800 0.162 0.000 2.280 306 Q HA 0.235 4.575 4.340 -0.000 0.000 0.228 306 Q C 2.092 178.183 176.000 0.151 0.000 0.857 306 Q CA 0.510 56.416 55.803 0.173 0.000 0.939 306 Q CB 0.751 29.585 28.738 0.160 0.000 1.114 306 Q HN 0.410 nan 8.270 nan 0.000 0.514 307 A N 1.677 124.547 122.820 0.084 0.000 1.849 307 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 307 A C 2.278 179.905 177.584 0.071 0.000 1.202 307 A CA 2.351 54.416 52.037 0.048 0.000 0.629 307 A CB -0.939 18.072 19.000 0.017 0.000 0.834 307 A HN 0.430 nan 8.150 nan 0.000 0.447 308 S N 0.144 115.890 115.700 0.076 0.000 2.399 308 S HA 0.023 4.493 4.470 -0.000 0.000 0.231 308 S C 2.067 176.741 174.600 0.123 0.000 1.022 308 S CA 1.451 59.697 58.200 0.077 0.000 0.983 308 S CB -0.768 62.465 63.200 0.055 0.000 0.803 308 S HN 1.027 nan 8.310 nan 0.000 0.480 309 A N 1.596 124.521 122.820 0.176 0.000 1.972 309 A HA 0.078 4.398 4.320 -0.000 0.000 0.219 309 A C 2.205 179.978 177.584 0.315 0.000 1.169 309 A CA 1.357 53.540 52.037 0.244 0.000 0.635 309 A CB -0.714 18.454 19.000 0.280 0.000 0.810 309 A HN 0.467 nan 8.150 nan 0.000 0.446 310 L N -0.663 120.691 121.223 0.218 0.000 2.109 310 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 310 L C 2.837 179.792 176.870 0.142 0.000 1.086 310 L CA 1.744 56.633 54.840 0.082 0.000 0.760 310 L CB -1.283 40.699 42.059 -0.129 0.000 0.910 310 L HN 0.400 nan 8.230 nan 0.000 0.437 311 A N -0.778 122.101 122.820 0.099 0.000 1.877 311 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 311 A C 2.466 180.104 177.584 0.091 0.000 1.186 311 A CA 1.776 53.852 52.037 0.066 0.000 0.620 311 A CB -0.860 18.166 19.000 0.044 0.000 0.822 311 A HN 0.414 nan 8.150 nan 0.000 0.443 312 A N -1.412 121.488 122.820 0.133 0.000 1.877 312 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 312 A C 1.967 179.670 177.584 0.199 0.000 1.186 312 A CA 1.669 53.788 52.037 0.137 0.000 0.620 312 A CB -0.941 18.147 19.000 0.146 0.000 0.822 312 A HN 0.854 nan 8.150 nan 0.000 0.443 313 W N 0.146 121.485 121.300 0.065 0.000 2.329 313 W HA 0.042 4.702 4.660 -0.000 0.000 0.324 313 W C 1.675 178.208 176.519 0.023 0.000 1.222 313 W CA 2.652 60.040 57.345 0.071 0.000 1.270 313 W CB -0.810 28.738 29.460 0.147 0.000 1.167 313 W HN 0.828 nan 8.180 nan 0.000 0.467 314 G N -0.575 108.174 108.800 -0.085 0.000 2.179 314 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.257 314 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.257 314 G C 1.216 175.605 174.900 -0.852 0.000 1.010 314 G CA 1.193 46.081 45.100 -0.352 0.000 0.736 314 G HN 1.690 nan 8.290 nan 0.000 0.513 315 G N -1.590 105.949 108.800 -2.102 0.000 2.176 315 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 315 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 315 G C 0.236 174.372 174.900 -1.272 0.000 0.979 315 G CA 0.923 44.667 45.100 -2.261 0.000 0.641 315 G HN 1.051 nan 8.290 nan 0.000 0.530 316 K N 0.274 120.079 120.400 -0.992 0.000 2.235 316 K HA 0.673 4.992 4.320 -0.000 0.000 0.266 316 K C 1.308 177.934 176.600 0.044 0.000 0.980 316 K CA -0.051 56.057 56.287 -0.299 0.000 0.849 316 K CB 1.752 34.142 32.500 -0.184 0.000 1.098 316 K HN 0.277 nan 8.250 nan 0.000 0.445 317 A N 2.811 125.730 122.820 0.164 0.000 1.972 317 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 317 A C 2.065 179.752 177.584 0.171 0.000 1.169 317 A CA 2.016 54.205 52.037 0.253 0.000 0.635 317 A CB -0.394 18.709 19.000 0.171 0.000 0.810 317 A HN 0.809 nan 8.150 nan 0.000 0.446 318 A N 0.218 123.101 122.820 0.104 0.000 2.070 318 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 318 A C 1.554 179.196 177.584 0.097 0.000 1.159 318 A CA 1.548 53.631 52.037 0.078 0.000 0.656 318 A CB -0.519 18.507 19.000 0.043 0.000 0.800 318 A HN 0.508 nan 8.150 nan 0.000 0.453 319 N N -0.051 118.732 118.700 0.138 0.000 2.515 319 N HA -0.047 4.693 4.740 -0.000 0.000 0.191 319 N C 1.286 176.916 175.510 0.199 0.000 1.182 319 N CA 0.760 53.909 53.050 0.165 0.000 0.879 319 N CB -0.216 38.376 38.487 0.176 0.000 0.984 319 N HN 0.730 nan 8.380 nan 0.000 0.453 320 K N 1.713 122.220 120.400 0.178 0.000 2.001 320 K HA -0.266 4.053 4.320 -0.000 0.000 0.223 320 K C 1.410 178.062 176.600 0.086 0.000 1.055 320 K CA 1.815 58.175 56.287 0.120 0.000 0.965 320 K CB -0.138 32.411 32.500 0.081 0.000 0.730 320 K HN 0.083 nan 8.250 nan 0.000 0.449 321 E N -0.368 119.875 120.200 0.071 0.000 2.136 321 E HA -0.291 4.059 4.350 -0.000 0.000 0.208 321 E C 1.930 178.568 176.600 0.064 0.000 1.035 321 E CA 1.869 58.303 56.400 0.057 0.000 0.838 321 E CB -0.260 29.469 29.700 0.049 0.000 0.748 321 E HN 0.557 nan 8.360 nan 0.000 0.459 322 A N -0.031 122.836 122.820 0.079 0.000 1.898 322 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 322 A C 2.357 180.005 177.584 0.107 0.000 1.181 322 A CA 1.934 54.022 52.037 0.085 0.000 0.620 322 A CB -0.717 18.338 19.000 0.092 0.000 0.819 322 A HN 0.234 nan 8.150 nan 0.000 0.442 323 T N 0.253 114.886 114.554 0.133 0.000 2.821 323 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 323 T C 2.014 176.780 174.700 0.109 0.000 1.046 323 T CA 1.605 63.797 62.100 0.152 0.000 1.139 323 T CB -0.244 68.718 68.868 0.155 0.000 0.871 323 T HN 0.627 nan 8.240 nan 0.000 0.454 324 Q N 0.467 120.312 119.800 0.075 0.000 2.167 324 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 324 Q C 2.346 178.401 176.000 0.091 0.000 0.970 324 Q CA 0.742 56.598 55.803 0.087 0.000 0.855 324 Q CB -0.054 28.715 28.738 0.052 0.000 0.911 324 Q HN 0.460 nan 8.270 nan 0.000 0.438 325 E N 0.854 121.094 120.200 0.067 0.000 2.047 325 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 325 E C 2.010 178.630 176.600 0.033 0.000 0.987 325 E CA 1.050 57.472 56.400 0.037 0.000 0.799 325 E CB -0.032 29.689 29.700 0.036 0.000 0.752 325 E HN 0.307 nan 8.360 nan 0.000 0.449 326 A N 1.132 123.995 122.820 0.071 0.000 1.865 326 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 326 A C 2.078 179.728 177.584 0.110 0.000 1.191 326 A CA 1.630 53.716 52.037 0.083 0.000 0.623 326 A CB -0.983 18.089 19.000 0.120 0.000 0.826 326 A HN 0.368 nan 8.150 nan 0.000 0.444 327 F N -0.098 119.852 119.950 0.001 0.000 2.069 327 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 327 F C 2.137 177.931 175.800 -0.010 0.000 1.113 327 F CA 2.258 60.251 58.000 -0.012 0.000 1.214 327 F CB -0.570 38.397 39.000 -0.056 0.000 0.978 327 F HN 0.216 nan 8.300 nan 0.000 0.474 328 M N 0.633 120.021 119.600 -0.354 0.000 2.267 328 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 328 M C 2.190 178.321 176.300 -0.281 0.000 1.063 328 M CA 1.911 56.944 55.300 -0.445 0.000 1.090 328 M CB -0.407 32.084 32.600 -0.181 0.000 1.392 328 M HN 0.307 nan 8.290 nan 0.000 0.422 329 K N -1.203 119.103 120.400 -0.158 0.000 2.211 329 K HA -0.045 4.275 4.320 -0.000 0.000 0.201 329 K C 1.711 178.250 176.600 -0.101 0.000 1.052 329 K CA 0.504 56.734 56.287 -0.094 0.000 0.973 329 K CB 0.129 32.605 32.500 -0.041 0.000 0.766 329 K HN 0.120 nan 8.250 nan 0.000 0.466 330 R N 0.808 121.241 120.500 -0.112 0.000 2.148 330 R HA 0.063 4.403 4.340 -0.000 0.000 0.223 330 R C 2.226 178.402 176.300 -0.206 0.000 1.088 330 R CA 1.174 57.202 56.100 -0.120 0.000 0.985 330 R CB -0.868 29.404 30.300 -0.046 0.000 0.880 330 R HN 0.349 nan 8.270 nan 0.000 0.451 331 A N 1.163 123.811 122.820 -0.286 0.000 1.858 331 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 331 A C 2.305 179.771 177.584 -0.196 0.000 1.190 331 A CA 1.487 53.345 52.037 -0.297 0.000 0.617 331 A CB -0.439 18.304 19.000 -0.429 0.000 0.827 331 A HN 0.163 nan 8.150 nan 0.000 0.443 332 M N -0.604 118.911 119.600 -0.142 0.000 2.117 332 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 332 M C 2.561 178.847 176.300 -0.024 0.000 1.065 332 M CA 1.402 56.667 55.300 -0.058 0.000 1.114 332 M CB -0.515 32.061 32.600 -0.040 0.000 1.361 332 M HN 0.519 nan 8.290 nan 0.000 0.408 333 A N 0.923 123.714 122.820 -0.049 0.000 1.883 333 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 333 A C 1.865 179.352 177.584 -0.161 0.000 1.186 333 A CA 1.973 53.990 52.037 -0.034 0.000 0.624 333 A CB -0.827 18.112 19.000 -0.101 0.000 0.822 333 A HN 0.501 nan 8.150 nan 0.000 0.444 334 N N -0.723 117.798 118.700 -0.299 0.000 2.270 334 N HA -0.117 4.623 4.740 -0.000 0.000 0.181 334 N C 1.721 177.154 175.510 -0.128 0.000 1.016 334 N CA 1.253 54.040 53.050 -0.439 0.000 0.870 334 N CB -0.776 37.034 38.487 -1.130 0.000 0.979 334 N HN 0.584 nan 8.380 nan 0.000 0.431 335 C N 1.365 120.680 119.300 0.026 0.000 2.422 335 C HA -0.035 4.425 4.460 -0.000 0.000 0.279 335 C C 2.582 177.651 174.990 0.132 0.000 1.305 335 C CA 0.788 59.927 59.018 0.202 0.000 1.757 335 C CB -0.795 27.023 27.740 0.129 0.000 1.962 335 C HN 0.427 nan 8.230 nan 0.000 0.499 336 Q N 0.231 120.093 119.800 0.102 0.000 2.083 336 Q HA -0.025 4.315 4.340 -0.000 0.000 0.198 336 Q C 2.516 178.606 176.000 0.151 0.000 0.969 336 Q CA 1.683 57.568 55.803 0.137 0.000 0.838 336 Q CB -0.312 28.546 28.738 0.200 0.000 0.900 336 Q HN 0.751 nan 8.270 nan 0.000 0.436 337 A N 1.068 123.963 122.820 0.126 0.000 1.940 337 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 337 A C 2.205 179.869 177.584 0.133 0.000 1.176 337 A CA 1.565 53.667 52.037 0.110 0.000 0.631 337 A CB -0.797 18.186 19.000 -0.029 0.000 0.814 337 A HN 0.396 nan 8.150 nan 0.000 0.446 338 A N -1.093 121.824 122.820 0.161 0.000 2.225 338 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 338 A C 1.812 179.472 177.584 0.126 0.000 1.164 338 A CA 1.486 53.625 52.037 0.171 0.000 0.710 338 A CB -0.251 18.871 19.000 0.203 0.000 0.780 338 A HN 0.552 nan 8.150 nan 0.000 0.473 339 K N -2.201 118.269 120.400 0.118 0.000 2.402 339 K HA 0.272 4.592 4.320 -0.000 0.000 0.203 339 K C 0.891 177.546 176.600 0.092 0.000 1.077 339 K CA 0.400 56.743 56.287 0.094 0.000 1.051 339 K CB 0.568 33.118 32.500 0.083 0.000 0.907 339 K HN 0.538 nan 8.250 nan 0.000 0.554 340 G N 2.456 111.322 108.800 0.109 0.000 2.160 340 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.251 340 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.251 340 G C 0.363 175.322 174.900 0.099 0.000 1.008 340 G CA 0.430 45.592 45.100 0.104 0.000 0.724 340 G HN 0.417 nan 8.290 nan 0.000 0.514 341 Q N -1.502 118.366 119.800 0.114 0.000 2.219 341 Q HA 0.273 4.613 4.340 -0.000 0.000 0.209 341 Q C 0.403 176.481 176.000 0.130 0.000 0.854 341 Q CA -0.583 55.278 55.803 0.096 0.000 0.960 341 Q CB 0.767 29.549 28.738 0.073 0.000 1.116 341 Q HN 0.583 nan 8.270 nan 0.000 0.500 342 Y N 0.683 121.009 120.300 0.043 0.000 2.442 342 Y HA 0.019 4.569 4.550 -0.000 0.000 0.330 342 Y C 0.542 176.474 175.900 0.053 0.000 1.129 342 Y CA 0.091 58.216 58.100 0.042 0.000 1.365 342 Y CB 0.472 38.960 38.460 0.046 0.000 1.233 342 Y HN -0.218 nan 8.280 nan 0.000 0.529 343 V N 3.734 123.352 119.914 -0.492 0.000 3.945 343 V HA 0.217 4.336 4.120 -0.000 0.000 0.196 343 V C -1.014 174.645 176.094 -0.726 0.000 1.110 343 V CA 0.201 62.245 62.300 -0.428 0.000 1.411 343 V CB -0.027 31.688 31.823 -0.179 0.000 1.707 343 V HN 0.737 nan 8.190 nan 0.000 0.477 344 H N 0.003 118.630 119.070 -0.738 0.000 3.218 344 H HA 0.453 5.009 4.556 -0.000 0.000 0.300 344 H C -0.887 174.332 175.328 -0.182 0.000 1.304 344 H CA 0.530 56.286 56.048 -0.486 0.000 1.562 344 H CB 0.849 30.508 29.762 -0.171 0.000 2.216 344 H HN 0.701 nan 8.280 nan 0.000 0.371 345 T N 2.304 116.563 114.554 -0.492 0.000 1.959 345 T HA -0.011 4.339 4.350 -0.000 0.000 0.656 345 T C 0.905 175.594 174.700 -0.019 0.000 0.981 345 T CA 0.345 62.259 62.100 -0.309 0.000 3.169 345 T CB -1.175 67.552 68.868 -0.235 0.000 1.986 345 T HN 1.158 nan 8.240 nan 0.000 0.414 346 G N 3.008 111.854 108.800 0.076 0.000 2.480 346 G HA2 0.210 4.169 3.960 -0.000 0.000 0.216 346 G HA3 0.210 4.169 3.960 -0.000 0.000 0.216 346 G C 1.186 176.095 174.900 0.016 0.000 1.200 346 G CA 2.026 47.172 45.100 0.077 0.000 0.782 346 G HN 2.243 nan 8.290 nan 0.000 0.554 347 S N -3.199 112.496 115.700 -0.008 0.000 2.453 347 S HA 0.131 4.601 4.470 -0.000 0.000 0.185 347 S C 0.566 175.158 174.600 -0.014 0.000 0.794 347 S CA 0.492 58.685 58.200 -0.010 0.000 1.376 347 S CB -0.136 63.064 63.200 -0.000 0.000 0.954 347 S HN 0.356 nan 8.310 nan 0.000 0.339 348 S N 1.320 117.011 115.700 -0.014 0.000 2.548 348 S HA 0.727 5.197 4.470 -0.000 0.000 0.277 348 S C 0.546 175.130 174.600 -0.026 0.000 1.315 348 S CA 0.408 58.601 58.200 -0.012 0.000 1.050 348 S CB 0.898 64.095 63.200 -0.005 0.000 0.918 348 S HN 0.824 nan 8.310 nan 0.000 0.497 349 G N 1.921 110.714 108.800 -0.012 0.000 3.366 349 G HA2 0.580 4.540 3.960 -0.000 0.000 0.179 349 G HA3 0.580 4.540 3.960 -0.000 0.000 0.179 349 G C 0.850 175.752 174.900 0.003 0.000 1.143 349 G CA 0.461 45.560 45.100 -0.002 0.000 0.810 349 G HN 1.208 nan 8.290 nan 0.000 0.697 350 A N 0.251 123.075 122.820 0.007 0.000 2.640 350 A HA -0.177 4.143 4.320 -0.000 0.000 0.338 350 A C 2.122 179.708 177.584 0.005 0.000 4.514 350 A CA 3.715 55.756 52.037 0.006 0.000 0.984 350 A CB -1.624 17.381 19.000 0.007 0.000 0.893 350 A HN 2.224 nan 8.150 nan 0.000 0.482 351 A N -1.695 121.129 122.820 0.006 0.000 3.105 351 A HA 0.568 4.888 4.320 -0.000 0.000 0.272 351 A C 0.565 178.150 177.584 0.003 0.000 1.466 351 A CA 1.271 53.312 52.037 0.007 0.000 1.101 351 A CB -0.608 18.401 19.000 0.014 0.000 1.065 351 A HN 1.845 nan 8.150 nan 0.000 0.643 352 S N -1.144 114.554 115.700 -0.002 0.000 4.583 352 S HA -0.008 4.462 4.470 -0.000 0.000 0.052 352 S C 0.446 175.038 174.600 -0.014 0.000 0.861 352 S CA 0.357 58.550 58.200 -0.011 0.000 0.874 352 S CB -1.115 62.073 63.200 -0.019 0.000 0.568 352 S HN 1.127 nan 8.310 nan 0.000 0.786 353 T N -1.530 113.022 114.554 -0.003 0.000 3.009 353 T HA 0.278 4.628 4.350 -0.000 0.000 0.267 353 T C 0.523 175.224 174.700 0.003 0.000 0.942 353 T CA 0.187 62.291 62.100 0.007 0.000 0.883 353 T CB 0.127 69.004 68.868 0.016 0.000 1.192 353 T HN 0.669 nan 8.240 nan 0.000 0.524 354 Q N 0.000 119.799 119.800 -0.001 0.000 2.315 354 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 354 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 354 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 354 Q HN 0.000 nan 8.270 nan 0.000 0.481