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 1h7t_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKAVIVIPAR YGSSRLPGKP LLDIVGKPMI QHVYERALQV AGVAEVWVAT DATA SEQUENCE DDPRVEQAVQ AFGGKAIMTR NDHESGTDRL VEVMHKVEAD IYINLQGDEP DATA SEQUENCE MIRPRDVETL LQGMRDDPAL PVATLCHAIS AAEAAEPSTV KVVVNTRQDA DATA SEQUENCE LYFSRSPIPY PRNAEKARYL KHVGIYAYRR DVLQNYSQLP ESMPEQAESL DATA SEQUENCE EQLRLMNAGI NIRTFEVAAT GPGVDTPACL EKVRALMAQE LAENA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.586 174.600 -0.023 0.000 1.055 1 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 1 S CB 0.000 63.197 63.200 -0.006 0.000 0.593 2 K N 2.864 123.245 120.400 -0.032 0.000 2.322 2 K HA 0.698 5.018 4.320 -0.000 0.000 0.283 2 K C -0.269 176.277 176.600 -0.091 0.000 1.042 2 K CA -0.001 56.257 56.287 -0.050 0.000 0.958 2 K CB 0.774 33.246 32.500 -0.046 0.000 0.984 2 K HN 0.579 nan 8.250 nan 0.000 0.473 3 A N 3.556 126.324 122.820 -0.086 0.000 2.371 3 A HA 0.574 4.894 4.320 -0.000 0.000 0.311 3 A C -1.030 176.493 177.584 -0.101 0.000 1.068 3 A CA -0.762 51.206 52.037 -0.114 0.000 0.744 3 A CB 1.393 20.353 19.000 -0.067 0.000 1.239 3 A HN 0.572 nan 8.150 nan 0.000 0.435 4 V N 0.046 119.872 119.914 -0.147 0.000 2.914 4 V HA 0.793 4.913 4.120 -0.000 0.000 0.314 4 V C -0.654 175.454 176.094 0.022 0.000 1.084 4 V CA -0.845 61.432 62.300 -0.038 0.000 0.963 4 V CB 1.628 33.446 31.823 -0.008 0.000 1.025 4 V HN 0.725 nan 8.190 nan 0.000 0.432 5 I N 3.095 123.716 120.570 0.086 0.000 2.354 5 I HA 0.567 4.737 4.170 -0.000 0.000 0.292 5 I C -0.640 175.586 176.117 0.181 0.000 0.989 5 I CA -0.834 60.526 61.300 0.100 0.000 1.188 5 I CB 1.954 39.974 38.000 0.033 0.000 1.342 5 I HN 0.467 nan 8.210 nan 0.000 0.457 6 V N 7.674 127.704 119.914 0.193 0.000 2.459 6 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 6 V C -0.092 176.108 176.094 0.178 0.000 1.029 6 V CA -0.494 61.937 62.300 0.219 0.000 0.874 6 V CB 2.080 34.017 31.823 0.190 0.000 0.985 6 V HN 0.466 nan 8.190 nan 0.000 0.438 7 I N 6.432 127.120 120.570 0.196 0.000 2.437 7 I HA 0.352 4.522 4.170 -0.000 0.000 0.279 7 I C -2.608 173.604 176.117 0.158 0.000 1.028 7 I CA -1.903 59.498 61.300 0.168 0.000 1.142 7 I CB 2.090 40.205 38.000 0.191 0.000 1.266 7 I HN 0.409 nan 8.210 nan 0.000 0.461 8 P HA 0.180 nan 4.420 nan 0.000 0.271 8 P C -0.740 176.625 177.300 0.108 0.000 1.226 8 P CA -0.140 63.021 63.100 0.101 0.000 0.765 8 P CB 0.948 32.690 31.700 0.069 0.000 0.835 9 A N 4.207 127.097 122.820 0.116 0.000 2.745 9 A HA 0.398 4.718 4.320 -0.000 0.000 0.301 9 A C -0.085 177.570 177.584 0.119 0.000 1.188 9 A CA -0.736 51.371 52.037 0.117 0.000 0.746 9 A CB 0.547 19.630 19.000 0.138 0.000 1.207 9 A HN 0.558 nan 8.150 nan 0.000 0.432 10 R N 1.452 122.016 120.500 0.107 0.000 2.346 10 R HA 0.452 4.791 4.340 -0.000 0.000 0.311 10 R C 0.150 176.535 176.300 0.142 0.000 0.983 10 R CA -0.606 55.569 56.100 0.125 0.000 0.880 10 R CB 0.881 31.244 30.300 0.105 0.000 1.100 10 R HN 0.552 nan 8.270 nan 0.000 0.453 11 Y N 3.444 123.771 120.300 0.045 0.000 2.070 11 Y HA -0.059 4.490 4.550 -0.000 0.000 0.279 11 Y C 1.454 177.375 175.900 0.035 0.000 1.134 11 Y CA 2.021 60.145 58.100 0.040 0.000 1.113 11 Y CB -0.390 38.091 38.460 0.034 0.000 0.981 11 Y HN 0.907 nan 8.280 nan 0.000 0.487 12 G N 1.235 110.221 108.800 0.310 0.000 2.138 12 G HA2 0.229 4.189 3.960 -0.000 0.000 0.263 12 G HA3 0.229 4.189 3.960 -0.000 0.000 0.263 12 G C -0.720 174.225 174.900 0.075 0.000 1.103 12 G CA 0.636 45.851 45.100 0.191 0.000 1.014 12 G HN 0.295 nan 8.290 nan 0.000 0.418 13 S N 0.893 116.609 115.700 0.028 0.000 2.540 13 S HA 0.534 5.004 4.470 -0.000 0.000 0.275 13 S C 1.300 175.905 174.600 0.007 0.000 1.123 13 S CA 0.084 58.286 58.200 0.004 0.000 0.907 13 S CB 1.472 64.652 63.200 -0.034 0.000 1.081 13 S HN 0.980 nan 8.310 nan 0.000 0.476 14 S N 4.551 120.259 115.700 0.013 0.000 2.344 14 S HA -0.038 4.432 4.470 -0.000 0.000 0.217 14 S C 1.348 175.952 174.600 0.006 0.000 1.033 14 S CA 0.624 58.832 58.200 0.014 0.000 1.017 14 S CB -0.493 62.716 63.200 0.016 0.000 0.941 14 S HN 0.768 nan 8.310 nan 0.000 0.430 15 R N 0.679 121.179 120.500 0.001 0.000 2.356 15 R HA 0.468 4.807 4.340 -0.000 0.000 0.234 15 R C -0.563 175.729 176.300 -0.013 0.000 0.929 15 R CA 0.110 56.208 56.100 -0.003 0.000 1.084 15 R CB -0.063 30.236 30.300 -0.001 0.000 1.105 15 R HN 0.384 nan 8.270 nan 0.000 0.515 16 L N 1.524 122.732 121.223 -0.025 0.000 2.409 16 L HA 0.228 4.568 4.340 -0.000 0.000 0.262 16 L C -2.558 174.259 176.870 -0.089 0.000 1.346 16 L CA -1.557 53.255 54.840 -0.048 0.000 0.848 16 L CB 2.063 44.093 42.059 -0.048 0.000 1.006 16 L HN -0.116 nan 8.230 nan 0.000 0.505 17 P HA 0.087 nan 4.420 nan 0.000 0.266 17 P C 0.738 177.831 177.300 -0.345 0.000 1.215 17 P CA 0.924 63.950 63.100 -0.125 0.000 0.763 17 P CB 1.066 32.765 31.700 -0.002 0.000 0.806 18 G N 3.236 111.518 108.800 -0.862 0.000 2.326 18 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.286 18 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.286 18 G C 0.819 175.406 174.900 -0.522 0.000 1.096 18 G CA 0.365 44.630 45.100 -1.391 0.000 1.003 18 G HN 0.648 nan 8.290 nan 0.000 0.503 19 K N 0.507 120.698 120.400 -0.347 0.000 2.026 19 K HA -0.030 4.290 4.320 -0.000 0.000 0.208 19 K C 0.479 177.028 176.600 -0.085 0.000 1.048 19 K CA 1.452 57.646 56.287 -0.155 0.000 0.929 19 K CB -0.197 32.245 32.500 -0.096 0.000 0.713 19 K HN 0.446 nan 8.250 nan 0.000 0.439 20 P HA -0.127 nan 4.420 nan 0.000 0.226 20 P C 0.859 178.187 177.300 0.047 0.000 1.153 20 P CA 1.130 64.244 63.100 0.024 0.000 0.777 20 P CB 0.036 31.777 31.700 0.067 0.000 0.794 21 L N -1.301 119.930 121.223 0.014 0.000 2.592 21 L HA 0.160 4.500 4.340 -0.000 0.000 0.227 21 L C 1.276 178.167 176.870 0.035 0.000 1.127 21 L CA -0.316 54.557 54.840 0.056 0.000 0.884 21 L CB -0.425 41.694 42.059 0.099 0.000 1.065 21 L HN -0.098 nan 8.230 nan 0.000 0.457 22 L N 1.057 122.283 121.223 0.005 0.000 2.490 22 L HA -0.026 4.314 4.340 -0.000 0.000 0.274 22 L C 0.717 177.608 176.870 0.034 0.000 1.201 22 L CA 0.297 55.141 54.840 0.007 0.000 0.869 22 L CB 0.242 42.294 42.059 -0.012 0.000 1.123 22 L HN 0.136 nan 8.230 nan 0.000 0.484 23 D N 4.353 124.773 120.400 0.032 0.000 2.389 23 D HA 0.302 4.942 4.640 -0.000 0.000 0.247 23 D C -0.649 175.677 176.300 0.043 0.000 1.128 23 D CA 0.026 54.053 54.000 0.046 0.000 0.884 23 D CB 0.911 41.732 40.800 0.035 0.000 1.194 23 D HN 0.291 nan 8.370 nan 0.000 0.441 24 I N 3.762 124.383 120.570 0.085 0.000 2.529 24 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 24 I C 0.397 176.590 176.117 0.127 0.000 1.088 24 I CA -0.898 60.423 61.300 0.034 0.000 1.062 24 I CB 2.063 39.987 38.000 -0.126 0.000 1.218 24 I HN 0.383 nan 8.210 nan 0.000 0.442 25 V N 2.966 122.912 119.914 0.055 0.000 5.175 25 V HA -0.271 3.849 4.120 -0.000 0.000 0.279 25 V C 0.926 177.068 176.094 0.081 0.000 0.571 25 V CA 1.163 63.501 62.300 0.064 0.000 0.694 25 V CB -2.456 29.401 31.823 0.057 0.000 0.525 25 V HN 1.582 nan 8.190 nan 0.000 1.093 26 G N -1.034 107.804 108.800 0.063 0.000 2.199 26 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 26 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 26 G C 0.062 174.970 174.900 0.014 0.000 0.982 26 G CA 0.554 45.674 45.100 0.033 0.000 0.632 26 G HN 1.100 nan 8.290 nan 0.000 0.529 27 K N 0.471 120.895 120.400 0.040 0.000 2.385 27 K HA 0.558 4.878 4.320 -0.000 0.000 0.248 27 K C -2.941 173.667 176.600 0.013 0.000 0.955 27 K CA -2.323 53.917 56.287 -0.079 0.000 0.816 27 K CB 2.605 34.858 32.500 -0.413 0.000 1.250 27 K HN -0.081 nan 8.250 nan 0.000 0.434 28 P HA 0.037 nan 4.420 nan 0.000 0.271 28 P C 0.422 177.781 177.300 0.098 0.000 1.218 28 P CA -0.078 63.053 63.100 0.050 0.000 0.780 28 P CB 0.555 32.298 31.700 0.071 0.000 0.901 29 M N 3.244 122.925 119.600 0.136 0.000 2.106 29 M HA -0.198 4.282 4.480 -0.000 0.000 0.259 29 M C 1.583 177.970 176.300 0.146 0.000 1.068 29 M CA 2.028 57.430 55.300 0.170 0.000 1.100 29 M CB -0.483 32.163 32.600 0.078 0.000 1.351 29 M HN 0.258 nan 8.290 nan 0.000 0.404 30 I N 0.715 121.357 120.570 0.120 0.000 2.335 30 I HA -0.318 3.852 4.170 -0.000 0.000 0.251 30 I C 2.349 178.531 176.117 0.109 0.000 1.129 30 I CA 1.745 63.138 61.300 0.154 0.000 1.402 30 I CB -0.558 37.568 38.000 0.209 0.000 1.069 30 I HN 0.519 nan 8.210 nan 0.000 0.424 31 Q N -0.694 119.040 119.800 -0.111 0.000 2.079 31 Q HA -0.243 4.097 4.340 -0.000 0.000 0.200 31 Q C 2.232 178.047 176.000 -0.309 0.000 0.974 31 Q CA 1.498 56.960 55.803 -0.568 0.000 0.840 31 Q CB -0.210 27.987 28.738 -0.902 0.000 0.898 31 Q HN 0.596 nan 8.270 nan 0.000 0.430 32 H N -0.669 118.331 119.070 -0.117 0.000 2.352 32 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 32 H C 2.222 177.540 175.328 -0.017 0.000 1.097 32 H CA 1.735 57.745 56.048 -0.063 0.000 1.311 32 H CB 0.002 29.737 29.762 -0.045 0.000 1.377 32 H HN 0.185 nan 8.280 nan 0.000 0.504 33 V N 0.540 120.538 119.914 0.141 0.000 2.358 33 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 33 V C 2.248 178.399 176.094 0.095 0.000 1.047 33 V CA 1.730 64.094 62.300 0.107 0.000 1.035 33 V CB -0.902 30.991 31.823 0.118 0.000 0.658 33 V HN 0.316 nan 8.190 nan 0.000 0.452 34 Y N 1.206 121.519 120.300 0.021 0.000 2.145 34 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 34 Y C 2.625 178.519 175.900 -0.009 0.000 1.145 34 Y CA 2.086 60.210 58.100 0.040 0.000 1.148 34 Y CB -0.105 38.427 38.460 0.121 0.000 0.981 34 Y HN 0.338 nan 8.280 nan 0.000 0.507 35 E N -0.374 119.885 120.200 0.097 0.000 2.077 35 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 35 E C 2.253 178.842 176.600 -0.018 0.000 0.989 35 E CA 1.308 57.722 56.400 0.024 0.000 0.800 35 E CB -0.166 29.507 29.700 -0.044 0.000 0.746 35 E HN 0.509 nan 8.360 nan 0.000 0.452 36 R N 0.374 120.868 120.500 -0.010 0.000 2.115 36 R HA 0.003 4.343 4.340 -0.000 0.000 0.226 36 R C 2.349 178.618 176.300 -0.053 0.000 1.100 36 R CA 0.876 56.965 56.100 -0.019 0.000 0.980 36 R CB -0.177 30.125 30.300 0.004 0.000 0.875 36 R HN 0.079 nan 8.270 nan 0.000 0.445 37 A N 1.223 123.990 122.820 -0.088 0.000 1.972 37 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 37 A C 2.070 179.558 177.584 -0.159 0.000 1.169 37 A CA 1.089 53.049 52.037 -0.129 0.000 0.635 37 A CB -0.469 18.420 19.000 -0.185 0.000 0.810 37 A HN 0.191 nan 8.150 nan 0.000 0.446 38 L N -0.898 120.209 121.223 -0.192 0.000 2.275 38 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 38 L C 2.410 179.233 176.870 -0.079 0.000 1.119 38 L CA 1.036 55.787 54.840 -0.148 0.000 0.790 38 L CB -0.374 41.618 42.059 -0.111 0.000 0.919 38 L HN 0.514 nan 8.230 nan 0.000 0.443 39 Q N -0.705 119.057 119.800 -0.063 0.000 2.451 39 Q HA 0.051 4.391 4.340 -0.000 0.000 0.206 39 Q C 0.238 176.212 176.000 -0.043 0.000 0.947 39 Q CA -0.035 55.742 55.803 -0.043 0.000 0.937 39 Q CB 0.423 29.142 28.738 -0.032 0.000 1.025 39 Q HN 0.254 nan 8.270 nan 0.000 0.511 40 V N 2.121 122.004 119.914 -0.052 0.000 2.415 40 V HA 0.183 4.303 4.120 -0.000 0.000 0.267 40 V C 0.365 176.433 176.094 -0.044 0.000 1.042 40 V CA -0.532 61.739 62.300 -0.048 0.000 1.000 40 V CB 0.242 32.035 31.823 -0.050 0.000 1.015 40 V HN 0.187 nan 8.190 nan 0.000 0.478 41 A N 4.367 127.163 122.820 -0.039 0.000 2.477 41 A HA 0.554 4.874 4.320 -0.000 0.000 0.246 41 A C 1.470 179.032 177.584 -0.036 0.000 1.078 41 A CA 0.556 52.572 52.037 -0.035 0.000 0.770 41 A CB -0.082 18.899 19.000 -0.032 0.000 1.011 41 A HN 2.052 nan 8.150 nan 0.000 0.494 42 G N 0.723 109.504 108.800 -0.032 0.000 2.176 42 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.232 42 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.232 42 G C 0.068 174.949 174.900 -0.031 0.000 0.986 42 G CA 0.055 45.137 45.100 -0.031 0.000 0.643 42 G HN 1.391 nan 8.290 nan 0.000 0.522 43 V N 1.037 120.931 119.914 -0.033 0.000 2.427 43 V HA 0.697 4.817 4.120 -0.000 0.000 0.286 43 V C 1.409 177.490 176.094 -0.023 0.000 1.034 43 V CA 0.350 62.631 62.300 -0.031 0.000 0.893 43 V CB 1.219 33.019 31.823 -0.037 0.000 0.982 43 V HN 0.671 nan 8.190 nan 0.000 0.452 44 A N 4.559 127.373 122.820 -0.011 0.000 1.840 44 A HA 0.106 4.426 4.320 -0.000 0.000 0.214 44 A C 0.776 178.371 177.584 0.019 0.000 1.198 44 A CA 0.879 52.920 52.037 0.006 0.000 0.608 44 A CB -0.004 19.006 19.000 0.016 0.000 0.839 44 A HN 0.820 nan 8.150 nan 0.000 0.443 45 E N -2.023 118.209 120.200 0.053 0.000 2.392 45 E HA 0.613 4.963 4.350 -0.000 0.000 0.269 45 E C -1.806 174.829 176.600 0.058 0.000 0.924 45 E CA -0.861 55.574 56.400 0.059 0.000 0.784 45 E CB 2.544 32.374 29.700 0.216 0.000 1.292 45 E HN -0.006 nan 8.360 nan 0.000 0.447 46 V N 1.454 121.327 119.914 -0.067 0.000 2.525 46 V HA 0.408 4.528 4.120 -0.000 0.000 0.299 46 V C -1.448 174.628 176.094 -0.029 0.000 1.034 46 V CA -0.783 61.471 62.300 -0.077 0.000 0.863 46 V CB 0.705 32.268 31.823 -0.434 0.000 0.999 46 V HN 0.592 nan 8.190 nan 0.000 0.423 47 W N 2.810 124.180 121.300 0.117 0.000 2.781 47 W HA 0.770 5.430 4.660 -0.000 0.000 0.345 47 W C -0.652 175.983 176.519 0.193 0.000 1.085 47 W CA -0.820 56.632 57.345 0.178 0.000 1.198 47 W CB 2.009 31.541 29.460 0.120 0.000 1.423 47 W HN 0.270 nan 8.180 nan 0.000 0.532 48 V N 3.029 123.204 119.914 0.436 0.000 2.357 48 V HA 0.658 4.778 4.120 -0.000 0.000 0.284 48 V C -0.045 176.209 176.094 0.266 0.000 1.018 48 V CA -1.100 61.386 62.300 0.311 0.000 0.841 48 V CB 0.772 32.742 31.823 0.245 0.000 0.991 48 V HN 0.619 nan 8.190 nan 0.000 0.437 49 A N 3.816 126.762 122.820 0.211 0.000 2.276 49 A HA 0.766 5.086 4.320 -0.000 0.000 0.300 49 A C 0.103 177.766 177.584 0.132 0.000 1.235 49 A CA -0.183 51.947 52.037 0.155 0.000 0.867 49 A CB 0.971 20.035 19.000 0.107 0.000 1.137 49 A HN 0.786 nan 8.150 nan 0.000 0.527 50 T N 0.198 114.824 114.554 0.120 0.000 2.864 50 T HA 0.515 4.865 4.350 -0.000 0.000 0.299 50 T C -0.583 174.171 174.700 0.090 0.000 1.166 50 T CA -0.004 62.160 62.100 0.107 0.000 1.007 50 T CB 1.534 70.465 68.868 0.106 0.000 1.219 50 T HN 0.653 nan 8.240 nan 0.000 0.506 51 D N 1.000 121.451 120.400 0.084 0.000 2.503 51 D HA 0.226 4.866 4.640 -0.000 0.000 0.218 51 D C -0.239 176.086 176.300 0.042 0.000 1.183 51 D CA -0.181 53.855 54.000 0.061 0.000 0.827 51 D CB 0.277 41.116 40.800 0.064 0.000 1.034 51 D HN 0.496 nan 8.370 nan 0.000 0.510 52 D N 0.866 121.296 120.400 0.049 0.000 2.593 52 D HA 0.237 4.877 4.640 -0.000 0.000 0.251 52 D C -1.583 174.716 176.300 -0.002 0.000 1.140 52 D CA -2.038 51.970 54.000 0.012 0.000 0.855 52 D CB 2.656 43.474 40.800 0.031 0.000 1.267 52 D HN -0.304 nan 8.370 nan 0.000 0.532 53 P HA -0.191 nan 4.420 nan 0.000 0.218 53 P C 1.019 178.298 177.300 -0.036 0.000 1.148 53 P CA 0.957 64.039 63.100 -0.031 0.000 0.822 53 P CB 0.385 32.060 31.700 -0.041 0.000 0.784 54 R N -0.314 120.146 120.500 -0.066 0.000 2.092 54 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 54 R C 2.420 178.737 176.300 0.028 0.000 1.119 54 R CA 1.094 57.164 56.100 -0.050 0.000 0.970 54 R CB -0.976 29.234 30.300 -0.151 0.000 0.864 54 R HN 0.104 nan 8.270 nan 0.000 0.440 55 V N 1.138 121.092 119.914 0.068 0.000 2.358 55 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 55 V C 2.322 178.440 176.094 0.040 0.000 1.047 55 V CA 1.860 64.226 62.300 0.110 0.000 1.035 55 V CB -0.467 31.448 31.823 0.154 0.000 0.658 55 V HN 0.392 nan 8.190 nan 0.000 0.452 56 E N -0.366 119.843 120.200 0.015 0.000 2.077 56 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 56 E C 2.325 178.882 176.600 -0.071 0.000 0.989 56 E CA 1.237 57.625 56.400 -0.021 0.000 0.800 56 E CB -0.049 29.648 29.700 -0.005 0.000 0.746 56 E HN 0.478 nan 8.360 nan 0.000 0.452 57 Q N 0.165 119.935 119.800 -0.050 0.000 2.050 57 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 57 Q C 2.143 178.088 176.000 -0.091 0.000 0.980 57 Q CA 1.610 57.374 55.803 -0.065 0.000 0.840 57 Q CB -0.523 28.193 28.738 -0.036 0.000 0.898 57 Q HN 0.398 nan 8.270 nan 0.000 0.424 58 A N -0.092 122.701 122.820 -0.045 0.000 1.978 58 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 58 A C 2.366 179.841 177.584 -0.181 0.000 1.170 58 A CA 1.603 53.633 52.037 -0.013 0.000 0.636 58 A CB -0.490 18.566 19.000 0.093 0.000 0.810 58 A HN 0.232 nan 8.150 nan 0.000 0.448 59 V N -0.525 119.176 119.914 -0.355 0.000 2.407 59 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 59 V C 2.545 177.961 176.094 -1.129 0.000 1.041 59 V CA 2.035 63.766 62.300 -0.948 0.000 1.040 59 V CB -0.848 30.691 31.823 -0.474 0.000 0.671 59 V HN 0.623 nan 8.190 nan 0.000 0.455 60 Q N -0.001 119.467 119.800 -0.553 0.000 2.167 60 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 60 Q C 2.388 178.178 176.000 -0.349 0.000 0.970 60 Q CA 1.491 57.051 55.803 -0.404 0.000 0.855 60 Q CB -0.405 28.200 28.738 -0.222 0.000 0.911 60 Q HN 0.659 nan 8.270 nan 0.000 0.438 61 A N 1.017 123.664 122.820 -0.288 0.000 2.024 61 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 61 A C 1.504 179.046 177.584 -0.070 0.000 1.164 61 A CA 1.334 53.290 52.037 -0.134 0.000 0.643 61 A CB -0.626 18.344 19.000 -0.050 0.000 0.806 61 A HN 0.576 nan 8.150 nan 0.000 0.451 62 F N -2.948 116.929 119.950 -0.121 0.000 2.639 62 F HA 0.534 5.061 4.527 -0.000 0.000 0.302 62 F C 1.053 176.752 175.800 -0.168 0.000 1.097 62 F CA -0.408 57.511 58.000 -0.135 0.000 1.294 62 F CB -0.511 38.402 39.000 -0.145 0.000 1.027 62 F HN 0.289 nan 8.300 nan 0.000 0.550 63 G N 0.304 108.955 108.800 -0.248 0.000 2.137 63 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.237 63 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.237 63 G C 0.501 175.202 174.900 -0.333 0.000 1.002 63 G CA -0.209 44.766 45.100 -0.207 0.000 0.702 63 G HN 0.960 nan 8.290 nan 0.000 0.515 64 G N -0.547 107.813 108.800 -0.734 0.000 2.451 64 G HA2 0.575 4.535 3.960 -0.000 0.000 0.303 64 G HA3 0.575 4.535 3.960 -0.000 0.000 0.303 64 G C -0.033 174.549 174.900 -0.531 0.000 1.166 64 G CA -0.738 43.834 45.100 -0.880 0.000 0.884 64 G HN 0.355 nan 8.290 nan 0.000 0.514 65 K N 0.536 120.719 120.400 -0.362 0.000 2.276 65 K HA 0.518 4.838 4.320 -0.000 0.000 0.285 65 K C 0.011 176.515 176.600 -0.161 0.000 1.062 65 K CA -0.091 55.941 56.287 -0.425 0.000 0.918 65 K CB 1.519 33.417 32.500 -1.003 0.000 1.055 65 K HN 0.505 nan 8.250 nan 0.000 0.477 66 A N 3.839 126.637 122.820 -0.035 0.000 2.356 66 A HA 0.750 5.070 4.320 -0.000 0.000 0.323 66 A C -0.984 176.789 177.584 0.316 0.000 1.119 66 A CA -0.844 51.274 52.037 0.136 0.000 0.790 66 A CB 0.907 19.914 19.000 0.013 0.000 1.273 66 A HN 0.832 nan 8.150 nan 0.000 0.452 67 I N 1.967 122.717 120.570 0.300 0.000 2.571 67 I HA 0.320 4.490 4.170 -0.000 0.000 0.286 67 I C -1.004 175.192 176.117 0.131 0.000 1.134 67 I CA -0.815 60.624 61.300 0.232 0.000 1.052 67 I CB 1.325 39.436 38.000 0.186 0.000 1.237 67 I HN 0.592 nan 8.210 nan 0.000 0.435 68 M N 6.002 125.656 119.600 0.090 0.000 2.238 68 M HA 0.281 4.761 4.480 -0.000 0.000 0.347 68 M C 0.208 176.540 176.300 0.054 0.000 1.173 68 M CA 0.318 55.656 55.300 0.063 0.000 1.147 68 M CB 0.746 33.371 32.600 0.041 0.000 1.547 68 M HN 0.689 nan 8.290 nan 0.000 0.455 69 T N 1.258 115.847 114.554 0.059 0.000 2.887 69 T HA 0.634 4.984 4.350 -0.000 0.000 0.292 69 T C 0.034 174.743 174.700 0.016 0.000 1.087 69 T CA -1.185 60.954 62.100 0.066 0.000 1.009 69 T CB 1.739 70.691 68.868 0.140 0.000 1.203 69 T HN 0.609 nan 8.240 nan 0.000 0.518 70 R N 1.393 121.845 120.500 -0.080 0.000 2.694 70 R HA 0.196 4.536 4.340 -0.000 0.000 0.268 70 R C 1.475 177.690 176.300 -0.142 0.000 1.061 70 R CA -0.043 55.941 56.100 -0.194 0.000 1.133 70 R CB 0.293 30.349 30.300 -0.408 0.000 1.020 70 R HN 0.841 nan 8.270 nan 0.000 0.475 71 N N 1.003 119.647 118.700 -0.093 0.000 2.373 71 N HA -0.098 4.642 4.740 -0.000 0.000 0.181 71 N C -0.009 175.483 175.510 -0.029 0.000 1.082 71 N CA 0.522 53.556 53.050 -0.027 0.000 0.885 71 N CB 0.173 38.654 38.487 -0.010 0.000 0.977 71 N HN 0.592 nan 8.380 nan 0.000 0.462 72 D N -0.582 119.763 120.400 -0.092 0.000 2.336 72 D HA -0.052 4.588 4.640 -0.000 0.000 0.229 72 D C 0.022 176.313 176.300 -0.015 0.000 1.061 72 D CA -0.074 53.892 54.000 -0.057 0.000 0.875 72 D CB -0.428 40.329 40.800 -0.073 0.000 0.904 72 D HN 0.110 nan 8.370 nan 0.000 0.525 73 H N 1.567 120.642 119.070 0.009 0.000 3.026 73 H HA 0.024 4.580 4.556 -0.000 0.000 0.289 73 H C 1.344 176.678 175.328 0.010 0.000 1.022 73 H CA 0.231 56.283 56.048 0.007 0.000 1.477 73 H CB 0.812 30.574 29.762 -0.001 0.000 1.510 73 H HN 0.498 nan 8.280 nan 0.000 0.535 74 E N 2.005 122.299 120.200 0.157 0.000 2.072 74 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 74 E C 0.059 176.695 176.600 0.060 0.000 0.982 74 E CA 0.591 57.043 56.400 0.087 0.000 0.803 74 E CB 0.251 29.992 29.700 0.069 0.000 0.755 74 E HN 0.408 nan 8.360 nan 0.000 0.453 75 S N -0.788 114.933 115.700 0.035 0.000 2.542 75 S HA 0.547 5.017 4.470 -0.000 0.000 0.293 75 S C 0.921 175.464 174.600 -0.095 0.000 1.089 75 S CA -0.540 57.651 58.200 -0.015 0.000 0.961 75 S CB 1.697 64.897 63.200 -0.002 0.000 1.062 75 S HN 0.162 nan 8.310 nan 0.000 0.483 76 G N 0.734 109.483 108.800 -0.085 0.000 2.535 76 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.218 76 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.218 76 G C 0.818 175.582 174.900 -0.226 0.000 1.122 76 G CA 1.043 46.074 45.100 -0.115 0.000 0.769 76 G HN 0.733 nan 8.290 nan 0.000 0.549 77 T N 0.344 114.712 114.554 -0.310 0.000 3.035 77 T HA 0.011 4.361 4.350 -0.000 0.000 0.259 77 T C 1.840 176.184 174.700 -0.594 0.000 1.078 77 T CA 0.769 62.544 62.100 -0.541 0.000 1.132 77 T CB -0.037 68.368 68.868 -0.772 0.000 0.900 77 T HN 0.141 nan 8.240 nan 0.000 0.480 78 D N 1.362 121.490 120.400 -0.453 0.000 2.144 78 D HA -0.054 4.586 4.640 -0.000 0.000 0.200 78 D C 2.204 178.050 176.300 -0.756 0.000 0.978 78 D CA 0.768 54.491 54.000 -0.461 0.000 0.833 78 D CB -0.168 40.442 40.800 -0.318 0.000 0.961 78 D HN 0.306 nan 8.370 nan 0.000 0.470 79 R N 0.401 120.401 120.500 -0.833 0.000 2.096 79 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 79 R C 2.213 178.321 176.300 -0.320 0.000 1.127 79 R CA 0.826 56.569 56.100 -0.595 0.000 0.968 79 R CB -0.321 29.825 30.300 -0.257 0.000 0.861 79 R HN 0.094 nan 8.270 nan 0.000 0.440 80 L N 0.378 121.388 121.223 -0.355 0.000 2.217 80 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 80 L C 1.879 178.480 176.870 -0.450 0.000 1.107 80 L CA 1.140 55.772 54.840 -0.347 0.000 0.783 80 L CB 0.050 41.875 42.059 -0.389 0.000 0.919 80 L HN 0.008 nan 8.230 nan 0.000 0.442 81 V N -0.471 119.168 119.914 -0.459 0.000 2.427 81 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 81 V C 2.512 178.394 176.094 -0.354 0.000 1.051 81 V CA 1.890 63.924 62.300 -0.442 0.000 1.048 81 V CB -0.528 31.122 31.823 -0.288 0.000 0.666 81 V HN 0.560 nan 8.190 nan 0.000 0.456 82 E N 0.144 120.254 120.200 -0.150 0.000 2.072 82 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 82 E C 2.196 178.764 176.600 -0.053 0.000 0.985 82 E CA 1.434 57.857 56.400 0.039 0.000 0.801 82 E CB 0.060 29.864 29.700 0.174 0.000 0.750 82 E HN 0.434 nan 8.360 nan 0.000 0.452 83 V N 1.910 121.739 119.914 -0.142 0.000 2.515 83 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 83 V C 2.485 178.445 176.094 -0.224 0.000 1.058 83 V CA 1.629 63.827 62.300 -0.170 0.000 1.064 83 V CB -0.462 31.270 31.823 -0.151 0.000 0.675 83 V HN 0.477 nan 8.190 nan 0.000 0.461 84 M N -0.270 119.099 119.600 -0.385 0.000 2.149 84 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 84 M C 2.226 178.353 176.300 -0.289 0.000 1.064 84 M CA 1.963 56.958 55.300 -0.509 0.000 1.102 84 M CB -0.917 31.157 32.600 -0.876 0.000 1.369 84 M HN 0.448 nan 8.290 nan 0.000 0.408 85 H N 0.244 119.237 119.070 -0.129 0.000 2.423 85 H HA -0.055 4.501 4.556 -0.000 0.000 0.297 85 H C 1.929 177.219 175.328 -0.064 0.000 1.075 85 H CA 1.444 57.446 56.048 -0.076 0.000 1.342 85 H CB -0.114 29.609 29.762 -0.065 0.000 1.395 85 H HN 0.494 nan 8.280 nan 0.000 0.530 86 K N 0.362 120.768 120.400 0.010 0.000 2.141 86 K HA 0.107 4.427 4.320 -0.000 0.000 0.202 86 K C 0.553 177.084 176.600 -0.114 0.000 1.045 86 K CA 0.257 56.512 56.287 -0.055 0.000 0.971 86 K CB 0.558 33.000 32.500 -0.097 0.000 0.795 86 K HN -0.119 nan 8.250 nan 0.000 0.459 87 V N 3.217 123.017 119.914 -0.189 0.000 2.368 87 V HA 0.092 4.212 4.120 -0.000 0.000 0.266 87 V C -0.088 176.012 176.094 0.010 0.000 1.045 87 V CA -0.517 61.656 62.300 -0.212 0.000 0.899 87 V CB 0.933 32.456 31.823 -0.500 0.000 1.006 87 V HN 0.200 nan 8.190 nan 0.000 0.470 88 E N 3.817 124.025 120.200 0.013 0.000 2.313 88 E HA 0.653 5.003 4.350 -0.000 0.000 0.276 88 E C -0.294 176.284 176.600 -0.037 0.000 1.031 88 E CA -0.109 56.321 56.400 0.051 0.000 0.857 88 E CB 1.297 31.020 29.700 0.037 0.000 1.040 88 E HN 0.865 nan 8.360 nan 0.000 0.408 89 A N 3.871 126.635 122.820 -0.094 0.000 2.586 89 A HA 0.250 4.570 4.320 -0.000 0.000 0.291 89 A C -0.629 176.845 177.584 -0.183 0.000 1.062 89 A CA -0.666 51.190 52.037 -0.301 0.000 0.666 89 A CB 1.235 19.776 19.000 -0.765 0.000 1.281 89 A HN 0.689 nan 8.150 nan 0.000 0.421 90 D N -0.259 120.055 120.400 -0.143 0.000 2.338 90 D HA 0.222 4.862 4.640 -0.000 0.000 0.208 90 D C 0.064 176.369 176.300 0.008 0.000 0.997 90 D CA 1.329 55.318 54.000 -0.019 0.000 0.880 90 D CB 0.474 41.270 40.800 -0.008 0.000 0.980 90 D HN 0.464 nan 8.370 nan 0.000 0.509 91 I N 0.685 121.190 120.570 -0.109 0.000 2.499 91 I HA 0.207 4.377 4.170 -0.000 0.000 0.288 91 I C -1.341 174.685 176.117 -0.152 0.000 1.048 91 I CA -0.842 60.447 61.300 -0.017 0.000 1.062 91 I CB 1.893 39.891 38.000 -0.003 0.000 1.238 91 I HN -0.264 nan 8.210 nan 0.000 0.426 92 Y N 6.256 126.610 120.300 0.091 0.000 2.335 92 Y HA 0.566 5.116 4.550 -0.000 0.000 0.338 92 Y C 0.028 176.019 175.900 0.152 0.000 0.977 92 Y CA -0.671 57.489 58.100 0.100 0.000 1.114 92 Y CB 1.477 39.980 38.460 0.071 0.000 1.182 92 Y HN 0.310 nan 8.280 nan 0.000 0.463 93 I N 3.205 123.906 120.570 0.219 0.000 2.354 93 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 93 I C -0.484 175.755 176.117 0.203 0.000 0.989 93 I CA -0.714 60.691 61.300 0.175 0.000 1.188 93 I CB 1.377 39.427 38.000 0.084 0.000 1.342 93 I HN 0.560 nan 8.210 nan 0.000 0.457 94 N N 7.292 126.133 118.700 0.235 0.000 2.527 94 N HA 0.421 5.161 4.740 -0.000 0.000 0.236 94 N C -1.124 174.489 175.510 0.171 0.000 0.999 94 N CA -0.247 52.937 53.050 0.225 0.000 0.935 94 N CB 0.675 39.351 38.487 0.315 0.000 1.132 94 N HN 0.470 nan 8.380 nan 0.000 0.511 95 L N 1.848 123.146 121.223 0.126 0.000 2.343 95 L HA 0.427 4.767 4.340 -0.000 0.000 0.275 95 L C 0.161 177.087 176.870 0.093 0.000 1.056 95 L CA -1.015 53.878 54.840 0.090 0.000 0.804 95 L CB 1.381 43.481 42.059 0.069 0.000 1.203 95 L HN 0.324 nan 8.230 nan 0.000 0.440 96 Q N 1.294 121.137 119.800 0.072 0.000 2.279 96 Q HA 0.173 4.513 4.340 -0.000 0.000 0.256 96 Q C 0.925 176.966 176.000 0.069 0.000 0.937 96 Q CA -0.120 55.724 55.803 0.069 0.000 0.933 96 Q CB 1.513 30.281 28.738 0.050 0.000 1.189 96 Q HN 0.838 nan 8.270 nan 0.000 0.417 97 G N 2.159 111.006 108.800 0.080 0.000 2.708 97 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.210 97 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.210 97 G C 0.338 175.278 174.900 0.067 0.000 1.141 97 G CA 0.570 45.723 45.100 0.088 0.000 0.788 97 G HN 0.618 nan 8.290 nan 0.000 0.531 98 D N -0.757 119.670 120.400 0.046 0.000 2.462 98 D HA 0.081 4.721 4.640 -0.000 0.000 0.221 98 D C 0.338 176.647 176.300 0.015 0.000 1.173 98 D CA -0.293 53.724 54.000 0.027 0.000 0.831 98 D CB -0.006 40.804 40.800 0.017 0.000 1.001 98 D HN 0.261 nan 8.370 nan 0.000 0.499 99 E N 1.641 121.853 120.200 0.020 0.000 2.916 99 E HA 0.148 4.498 4.350 -0.000 0.000 0.217 99 E C -1.849 174.755 176.600 0.005 0.000 1.100 99 E CA -1.619 54.783 56.400 0.005 0.000 0.891 99 E CB 1.647 31.349 29.700 0.003 0.000 1.311 99 E HN 0.089 nan 8.360 nan 0.000 0.421 100 P HA -0.124 nan 4.420 nan 0.000 0.226 100 P C 0.838 178.120 177.300 -0.031 0.000 1.153 100 P CA 0.914 64.007 63.100 -0.010 0.000 0.777 100 P CB 0.232 31.883 31.700 -0.082 0.000 0.794 101 M N -0.660 118.916 119.600 -0.040 0.000 2.493 101 M HA 0.129 4.609 4.480 -0.000 0.000 0.244 101 M C 0.635 176.918 176.300 -0.029 0.000 1.182 101 M CA -0.836 54.439 55.300 -0.042 0.000 0.981 101 M CB -0.220 32.348 32.600 -0.053 0.000 1.551 101 M HN -0.128 nan 8.290 nan 0.000 0.476 102 I N 1.909 122.469 120.570 -0.017 0.000 2.752 102 I HA -0.048 4.122 4.170 -0.000 0.000 0.289 102 I C 0.281 176.386 176.117 -0.020 0.000 1.197 102 I CA 0.524 61.814 61.300 -0.017 0.000 1.432 102 I CB 0.327 38.323 38.000 -0.007 0.000 1.359 102 I HN 0.201 nan 8.210 nan 0.000 0.571 103 R N 8.354 128.839 120.500 -0.026 0.000 2.221 103 R HA 0.264 4.604 4.340 -0.000 0.000 0.327 103 R C -1.718 174.565 176.300 -0.028 0.000 1.033 103 R CA -1.337 54.746 56.100 -0.027 0.000 0.887 103 R CB 0.508 30.789 30.300 -0.032 0.000 1.057 103 R HN 0.496 nan 8.270 nan 0.000 0.455 104 P HA -0.166 nan 4.420 nan 0.000 0.217 104 P C 0.925 178.203 177.300 -0.037 0.000 1.148 104 P CA 1.037 64.118 63.100 -0.032 0.000 0.828 104 P CB 0.309 31.990 31.700 -0.031 0.000 0.783 105 R N -0.328 120.151 120.500 -0.035 0.000 2.092 105 R HA -0.090 4.250 4.340 -0.000 0.000 0.231 105 R C 1.687 177.959 176.300 -0.046 0.000 1.119 105 R CA 1.391 57.468 56.100 -0.039 0.000 0.970 105 R CB -1.296 28.984 30.300 -0.033 0.000 0.864 105 R HN 0.157 nan 8.270 nan 0.000 0.440 106 D N -0.833 119.543 120.400 -0.040 0.000 2.144 106 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 106 D C 1.698 177.965 176.300 -0.055 0.000 0.978 106 D CA 1.064 55.040 54.000 -0.040 0.000 0.833 106 D CB -0.024 40.760 40.800 -0.027 0.000 0.961 106 D HN 0.036 nan 8.370 nan 0.000 0.470 107 V N 1.032 120.915 119.914 -0.051 0.000 2.548 107 V HA -0.158 3.962 4.120 -0.000 0.000 0.249 107 V C 2.127 178.176 176.094 -0.076 0.000 1.055 107 V CA 1.331 63.598 62.300 -0.054 0.000 1.065 107 V CB -0.428 31.372 31.823 -0.038 0.000 0.681 107 V HN 0.189 nan 8.190 nan 0.000 0.462 108 E N 0.016 120.171 120.200 -0.076 0.000 2.152 108 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 108 E C 2.285 178.807 176.600 -0.130 0.000 0.983 108 E CA 1.538 57.886 56.400 -0.087 0.000 0.818 108 E CB -0.223 29.437 29.700 -0.068 0.000 0.758 108 E HN 0.552 nan 8.360 nan 0.000 0.467 109 T N 1.692 116.158 114.554 -0.146 0.000 2.746 109 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 109 T C 1.825 176.274 174.700 -0.417 0.000 1.039 109 T CA 0.781 62.744 62.100 -0.228 0.000 1.142 109 T CB -0.204 68.566 68.868 -0.163 0.000 0.866 109 T HN 0.028 nan 8.240 nan 0.000 0.444 110 L N 0.925 121.958 121.223 -0.316 0.000 1.994 110 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 110 L C 2.243 178.950 176.870 -0.272 0.000 1.071 110 L CA 1.563 56.209 54.840 -0.324 0.000 0.745 110 L CB -0.757 41.229 42.059 -0.122 0.000 0.892 110 L HN 0.235 nan 8.230 nan 0.000 0.431 111 L N -1.063 120.060 121.223 -0.168 0.000 2.046 111 L HA -0.257 4.082 4.340 -0.000 0.000 0.208 111 L C 2.593 179.387 176.870 -0.127 0.000 1.077 111 L CA 1.511 56.284 54.840 -0.111 0.000 0.747 111 L CB -0.246 41.766 42.059 -0.078 0.000 0.896 111 L HN 0.451 nan 8.230 nan 0.000 0.432 112 Q N -0.162 119.535 119.800 -0.171 0.000 2.119 112 Q HA -0.120 4.220 4.340 -0.000 0.000 0.201 112 Q C 1.942 177.842 176.000 -0.167 0.000 0.972 112 Q CA 1.803 57.518 55.803 -0.147 0.000 0.847 112 Q CB -0.548 28.104 28.738 -0.143 0.000 0.903 112 Q HN 0.477 nan 8.270 nan 0.000 0.433 113 G N 0.012 108.602 108.800 -0.350 0.000 2.418 113 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 113 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 113 G C 1.297 176.205 174.900 0.014 0.000 1.158 113 G CA 1.023 45.947 45.100 -0.292 0.000 0.771 113 G HN 0.273 nan 8.290 nan 0.000 0.545 114 M N 0.196 119.784 119.600 -0.020 0.000 2.159 114 M HA 0.040 4.520 4.480 -0.000 0.000 0.263 114 M C 2.566 178.886 176.300 0.033 0.000 1.063 114 M CA 1.049 56.377 55.300 0.046 0.000 1.110 114 M CB -0.798 31.820 32.600 0.029 0.000 1.374 114 M HN 0.217 nan 8.290 nan 0.000 0.411 115 R N -0.144 120.356 120.500 0.001 0.000 2.119 115 R HA -0.086 4.254 4.340 -0.000 0.000 0.222 115 R C 1.494 177.803 176.300 0.015 0.000 1.088 115 R CA 0.826 56.929 56.100 0.004 0.000 0.984 115 R CB -0.111 30.181 30.300 -0.014 0.000 0.884 115 R HN 0.344 nan 8.270 nan 0.000 0.447 116 D N 0.370 120.782 120.400 0.020 0.000 2.269 116 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 116 D C -0.099 176.231 176.300 0.050 0.000 0.963 116 D CA 1.163 55.183 54.000 0.033 0.000 0.864 116 D CB 0.063 40.888 40.800 0.041 0.000 0.936 116 D HN 0.046 nan 8.370 nan 0.000 0.505 117 D N -1.123 119.316 120.400 0.064 0.000 2.358 117 D HA 0.182 4.822 4.640 -0.000 0.000 0.253 117 D C -2.149 174.188 176.300 0.062 0.000 1.288 117 D CA -2.026 52.014 54.000 0.066 0.000 0.950 117 D CB 1.864 42.716 40.800 0.086 0.000 1.197 117 D HN -0.224 nan 8.370 nan 0.000 0.550 118 P HA 0.016 nan 4.420 nan 0.000 0.225 118 P C 0.748 178.079 177.300 0.051 0.000 1.148 118 P CA 0.644 63.772 63.100 0.046 0.000 0.779 118 P CB 0.420 32.142 31.700 0.036 0.000 0.780 119 A N -1.329 121.522 122.820 0.052 0.000 2.238 119 A HA 0.102 4.422 4.320 -0.000 0.000 0.210 119 A C 0.799 178.420 177.584 0.061 0.000 1.179 119 A CA -0.070 51.998 52.037 0.051 0.000 0.827 119 A CB -0.804 18.221 19.000 0.043 0.000 0.856 119 A HN 0.142 nan 8.150 nan 0.000 0.488 120 L N 0.941 122.207 121.223 0.072 0.000 2.361 120 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 120 L C -1.823 175.104 176.870 0.094 0.000 1.113 120 L CA -1.567 53.324 54.840 0.085 0.000 0.849 120 L CB 1.083 43.207 42.059 0.107 0.000 1.155 120 L HN -0.021 nan 8.230 nan 0.000 0.452 121 P HA 0.034 nan 4.420 nan 0.000 0.216 121 P C -0.666 176.713 177.300 0.132 0.000 1.156 121 P CA 0.548 63.717 63.100 0.116 0.000 0.855 121 P CB 0.358 32.126 31.700 0.114 0.000 0.786 122 V N -1.202 118.780 119.914 0.113 0.000 2.925 122 V HA 0.771 4.891 4.120 -0.000 0.000 0.311 122 V C -0.655 175.494 176.094 0.091 0.000 1.104 122 V CA -1.000 61.342 62.300 0.070 0.000 0.954 122 V CB 1.892 33.759 31.823 0.072 0.000 1.022 122 V HN 0.081 nan 8.190 nan 0.000 0.427 123 A N 1.752 124.619 122.820 0.078 0.000 2.515 123 A HA 0.954 5.274 4.320 -0.000 0.000 0.298 123 A C -0.602 177.052 177.584 0.117 0.000 1.059 123 A CA -0.426 51.715 52.037 0.173 0.000 0.698 123 A CB 2.370 21.555 19.000 0.308 0.000 1.289 123 A HN 0.850 nan 8.150 nan 0.000 0.404 124 T N 0.319 114.961 114.554 0.146 0.000 2.681 124 T HA 0.723 5.073 4.350 -0.000 0.000 0.296 124 T C -1.390 173.385 174.700 0.125 0.000 1.157 124 T CA -0.384 61.729 62.100 0.022 0.000 1.025 124 T CB 0.806 69.620 68.868 -0.090 0.000 1.441 124 T HN 0.624 nan 8.240 nan 0.000 0.504 125 L N 1.161 122.408 121.223 0.040 0.000 2.301 125 L HA 0.910 5.250 4.340 -0.000 0.000 0.264 125 L C -0.416 176.509 176.870 0.093 0.000 1.016 125 L CA -0.952 53.939 54.840 0.084 0.000 0.821 125 L CB 2.070 44.146 42.059 0.028 0.000 1.346 125 L HN 1.009 nan 8.230 nan 0.000 0.429 126 C N -0.740 118.622 119.300 0.104 0.000 3.311 126 C HA 0.862 5.321 4.460 -0.000 0.000 0.325 126 C C -1.075 173.985 174.990 0.116 0.000 1.352 126 C CA -0.732 58.331 59.018 0.075 0.000 1.308 126 C CB 1.225 29.011 27.740 0.075 0.000 1.619 126 C HN 1.013 nan 8.230 nan 0.000 0.469 127 H N 0.133 119.227 119.070 0.039 0.000 3.016 127 H HA 0.820 5.376 4.556 -0.000 0.000 0.362 127 H C -0.438 174.912 175.328 0.038 0.000 1.233 127 H CA 0.066 56.132 56.048 0.030 0.000 1.124 127 H CB 0.977 30.749 29.762 0.017 0.000 1.850 127 H HN 1.372 nan 8.280 nan 0.000 0.549 128 A N 1.969 124.912 122.820 0.206 0.000 2.462 128 A HA 0.521 4.841 4.320 -0.000 0.000 0.243 128 A C 0.177 177.872 177.584 0.185 0.000 1.076 128 A CA 0.175 52.295 52.037 0.140 0.000 0.773 128 A CB -0.724 18.343 19.000 0.111 0.000 1.010 128 A HN 0.830 nan 8.150 nan 0.000 0.493 129 I N -0.511 120.127 120.570 0.113 0.000 2.865 129 I HA 0.674 4.844 4.170 -0.000 0.000 0.302 129 I C 0.191 176.368 176.117 0.101 0.000 1.140 129 I CA -0.738 60.622 61.300 0.100 0.000 1.021 129 I CB 2.118 40.139 38.000 0.035 0.000 1.233 129 I HN 0.635 nan 8.210 nan 0.000 0.427 130 S N 3.018 118.751 115.700 0.055 0.000 2.617 130 S HA 0.508 4.978 4.470 -0.000 0.000 0.259 130 S C 1.236 175.803 174.600 -0.054 0.000 1.301 130 S CA -0.014 58.206 58.200 0.034 0.000 0.984 130 S CB 1.386 64.591 63.200 0.008 0.000 0.954 130 S HN 1.028 nan 8.310 nan 0.000 0.572 131 A N 0.901 123.671 122.820 -0.084 0.000 1.969 131 A HA 0.226 4.546 4.320 -0.000 0.000 0.218 131 A C 2.371 179.777 177.584 -0.296 0.000 1.169 131 A CA 1.547 53.395 52.037 -0.316 0.000 0.635 131 A CB -1.651 17.264 19.000 -0.141 0.000 0.810 131 A HN 1.298 nan 8.150 nan 0.000 0.445 132 A N -0.211 122.519 122.820 -0.151 0.000 1.902 132 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 132 A C 1.953 179.470 177.584 -0.113 0.000 1.181 132 A CA 1.616 53.584 52.037 -0.114 0.000 0.623 132 A CB -0.449 18.513 19.000 -0.064 0.000 0.818 132 A HN 0.615 nan 8.150 nan 0.000 0.443 133 E N -0.465 119.674 120.200 -0.101 0.000 2.107 133 E HA -0.050 4.299 4.350 -0.000 0.000 0.191 133 E C 2.247 178.780 176.600 -0.111 0.000 0.982 133 E CA 0.738 57.093 56.400 -0.075 0.000 0.809 133 E CB -0.231 29.450 29.700 -0.032 0.000 0.756 133 E HN 0.602 nan 8.360 nan 0.000 0.459 134 A N 1.306 124.000 122.820 -0.209 0.000 2.070 134 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 134 A C 2.279 179.732 177.584 -0.220 0.000 1.159 134 A CA 1.395 53.269 52.037 -0.273 0.000 0.656 134 A CB -0.381 18.200 19.000 -0.699 0.000 0.800 134 A HN 0.271 nan 8.150 nan 0.000 0.453 135 A N -0.567 122.130 122.820 -0.205 0.000 2.119 135 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 135 A C 0.743 178.288 177.584 -0.064 0.000 1.153 135 A CA 0.371 52.331 52.037 -0.128 0.000 0.692 135 A CB -0.119 18.811 19.000 -0.117 0.000 0.799 135 A HN 0.380 nan 8.150 nan 0.000 0.458 136 E N 0.545 120.712 120.200 -0.055 0.000 2.257 136 E HA 0.118 4.468 4.350 -0.000 0.000 0.278 136 E C -1.610 174.987 176.600 -0.005 0.000 1.049 136 E CA -2.251 54.135 56.400 -0.024 0.000 0.876 136 E CB 0.791 30.479 29.700 -0.020 0.000 1.035 136 E HN 0.278 nan 8.360 nan 0.000 0.419 137 P HA -0.157 nan 4.420 nan 0.000 0.218 137 P C 1.073 178.389 177.300 0.026 0.000 1.149 137 P CA 1.052 64.166 63.100 0.022 0.000 0.817 137 P CB 0.271 31.986 31.700 0.024 0.000 0.785 138 S N -1.667 114.045 115.700 0.019 0.000 2.442 138 S HA -0.043 4.427 4.470 -0.000 0.000 0.236 138 S C 1.076 175.691 174.600 0.025 0.000 1.007 138 S CA 0.777 58.989 58.200 0.021 0.000 0.965 138 S CB -1.483 61.726 63.200 0.015 0.000 0.773 138 S HN 0.096 nan 8.310 nan 0.000 0.504 139 T N 2.498 117.064 114.554 0.021 0.000 2.799 139 T HA 0.530 4.880 4.350 -0.000 0.000 0.286 139 T C -0.529 174.198 174.700 0.045 0.000 0.973 139 T CA -0.486 61.628 62.100 0.023 0.000 1.035 139 T CB 1.664 70.534 68.868 0.002 0.000 0.932 139 T HN 0.029 nan 8.240 nan 0.000 0.469 140 V N 4.999 124.957 119.914 0.074 0.000 2.383 140 V HA 0.368 4.488 4.120 -0.000 0.000 0.275 140 V C 0.151 176.328 176.094 0.137 0.000 1.036 140 V CA -0.681 61.692 62.300 0.121 0.000 0.889 140 V CB 1.118 33.055 31.823 0.190 0.000 0.985 140 V HN 0.674 nan 8.190 nan 0.000 0.459 141 K N 3.164 123.630 120.400 0.110 0.000 2.095 141 K HA 0.781 5.101 4.320 -0.000 0.000 0.252 141 K C -0.759 175.857 176.600 0.028 0.000 0.977 141 K CA -0.446 55.897 56.287 0.092 0.000 0.900 141 K CB 2.000 34.575 32.500 0.125 0.000 1.060 141 K HN 0.420 nan 8.250 nan 0.000 0.449 142 V N 1.145 121.027 119.914 -0.054 0.000 2.932 142 V HA 0.590 4.710 4.120 -0.000 0.000 0.307 142 V C -1.695 174.270 176.094 -0.214 0.000 1.147 142 V CA -0.741 61.389 62.300 -0.283 0.000 0.951 142 V CB 2.218 33.772 31.823 -0.448 0.000 1.031 142 V HN 0.390 nan 8.190 nan 0.000 0.426 143 V N 6.344 126.107 119.914 -0.253 0.000 2.495 143 V HA 0.723 4.843 4.120 -0.000 0.000 0.298 143 V C -0.107 175.871 176.094 -0.193 0.000 1.031 143 V CA -0.185 62.014 62.300 -0.167 0.000 0.871 143 V CB 1.784 33.549 31.823 -0.097 0.000 0.988 143 V HN 1.027 nan 8.190 nan 0.000 0.432 144 V N 2.054 121.876 119.914 -0.153 0.000 3.046 144 V HA 0.815 4.935 4.120 -0.000 0.000 0.316 144 V C -0.335 175.698 176.094 -0.102 0.000 1.104 144 V CA -0.780 61.435 62.300 -0.141 0.000 1.006 144 V CB 2.086 33.823 31.823 -0.143 0.000 1.058 144 V HN 0.906 nan 8.190 nan 0.000 0.440 145 N N 0.189 118.834 118.700 -0.091 0.000 2.681 145 N HA 0.327 5.066 4.740 -0.000 0.000 0.311 145 N C 1.101 176.571 175.510 -0.066 0.000 1.303 145 N CA 0.208 53.217 53.050 -0.069 0.000 0.926 145 N CB -0.215 38.238 38.487 -0.056 0.000 1.136 145 N HN 0.856 nan 8.380 nan 0.000 0.592 146 T N -2.320 112.204 114.554 -0.051 0.000 2.759 146 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 146 T C 1.363 176.032 174.700 -0.050 0.000 1.042 146 T CA 1.034 63.107 62.100 -0.044 0.000 1.140 146 T CB -0.327 68.522 68.868 -0.031 0.000 0.864 146 T HN 0.472 nan 8.240 nan 0.000 0.455 147 R N 1.199 121.666 120.500 -0.055 0.000 2.319 147 R HA 0.172 4.512 4.340 -0.000 0.000 0.204 147 R C 0.667 176.899 176.300 -0.113 0.000 0.954 147 R CA 0.144 56.206 56.100 -0.064 0.000 1.066 147 R CB -0.252 30.019 30.300 -0.048 0.000 0.991 147 R HN 0.551 nan 8.270 nan 0.000 0.486 148 Q N 0.125 119.852 119.800 -0.122 0.000 2.460 148 Q HA -0.163 4.177 4.340 -0.000 0.000 0.248 148 Q C -0.996 174.888 176.000 -0.192 0.000 0.847 148 Q CA 0.796 56.494 55.803 -0.175 0.000 1.214 148 Q CB -0.983 27.603 28.738 -0.254 0.000 1.523 148 Q HN 0.353 nan 8.270 nan 0.000 0.602 149 D N 0.308 120.626 120.400 -0.136 0.000 2.345 149 D HA 0.408 5.048 4.640 -0.000 0.000 0.247 149 D C 0.253 176.484 176.300 -0.115 0.000 1.108 149 D CA 0.321 54.256 54.000 -0.108 0.000 0.894 149 D CB 0.831 41.594 40.800 -0.062 0.000 1.203 149 D HN 0.328 nan 8.370 nan 0.000 0.430 150 A N 2.565 125.315 122.820 -0.116 0.000 2.450 150 A HA 0.183 4.503 4.320 -0.000 0.000 0.255 150 A C 1.260 178.756 177.584 -0.145 0.000 1.096 150 A CA -0.215 51.689 52.037 -0.222 0.000 0.778 150 A CB 0.154 18.944 19.000 -0.349 0.000 1.031 150 A HN 0.693 nan 8.150 nan 0.000 0.494 151 L N 1.042 122.170 121.223 -0.157 0.000 2.168 151 L HA 0.188 4.528 4.340 -0.000 0.000 0.203 151 L C 0.321 177.222 176.870 0.052 0.000 1.078 151 L CA 0.913 55.725 54.840 -0.046 0.000 0.780 151 L CB -0.094 41.941 42.059 -0.040 0.000 0.939 151 L HN 0.796 nan 8.230 nan 0.000 0.451 152 Y N -1.497 118.652 120.300 -0.251 0.000 2.662 152 Y HA 0.424 4.974 4.550 -0.000 0.000 0.334 152 Y C -1.761 173.916 175.900 -0.372 0.000 1.185 152 Y CA -1.807 56.186 58.100 -0.178 0.000 1.074 152 Y CB 1.197 39.619 38.460 -0.063 0.000 1.330 152 Y HN -0.215 nan 8.280 nan 0.000 0.458 153 F N 2.491 121.962 119.950 -0.798 0.000 2.520 153 F HA 0.742 5.269 4.527 -0.000 0.000 0.322 153 F C 0.016 175.368 175.800 -0.747 0.000 1.103 153 F CA -0.544 57.114 58.000 -0.570 0.000 0.926 153 F CB 2.298 41.043 39.000 -0.426 0.000 1.154 153 F HN 0.380 nan 8.300 nan 0.000 0.453 154 S N 1.526 117.139 115.700 -0.144 0.000 2.565 154 S HA 0.446 4.916 4.470 -0.000 0.000 0.269 154 S C 0.259 174.894 174.600 0.057 0.000 1.153 154 S CA -0.766 57.411 58.200 -0.038 0.000 0.835 154 S CB 1.516 64.793 63.200 0.129 0.000 1.122 154 S HN 0.738 nan 8.310 nan 0.000 0.462 155 R N 0.837 121.380 120.500 0.071 0.000 2.240 155 R HA 0.219 4.559 4.340 -0.000 0.000 0.203 155 R C 0.359 176.704 176.300 0.076 0.000 1.011 155 R CA 0.286 56.427 56.100 0.068 0.000 1.007 155 R CB 0.010 30.346 30.300 0.059 0.000 0.911 155 R HN 0.427 nan 8.270 nan 0.000 0.468 156 S N 1.742 117.506 115.700 0.105 0.000 2.580 156 S HA 0.201 4.671 4.470 -0.000 0.000 0.274 156 S C -2.361 172.318 174.600 0.131 0.000 1.329 156 S CA -1.082 57.188 58.200 0.117 0.000 1.036 156 S CB 1.247 64.535 63.200 0.147 0.000 0.919 156 S HN -0.091 nan 8.310 nan 0.000 0.515 157 P HA 0.248 nan 4.420 nan 0.000 0.269 157 P C -0.819 176.642 177.300 0.269 0.000 1.252 157 P CA 0.037 63.232 63.100 0.159 0.000 0.780 157 P CB -0.176 31.555 31.700 0.051 0.000 0.829 158 I N 2.055 122.805 120.570 0.299 0.000 2.582 158 I HA 0.669 4.839 4.170 -0.000 0.000 0.292 158 I C -2.705 173.455 176.117 0.071 0.000 1.066 158 I CA -3.252 58.169 61.300 0.201 0.000 1.053 158 I CB 2.818 40.915 38.000 0.163 0.000 1.241 158 I HN 0.077 nan 8.210 nan 0.000 0.421 159 P HA 0.046 nan 4.420 nan 0.000 0.274 159 P C -1.050 176.313 177.300 0.104 0.000 1.237 159 P CA 0.041 63.138 63.100 -0.006 0.000 0.793 159 P CB 0.646 32.290 31.700 -0.094 0.000 0.977 160 Y N 4.012 124.343 120.300 0.052 0.000 2.610 160 Y HA 0.085 4.635 4.550 -0.000 0.000 0.332 160 Y C -1.276 174.670 175.900 0.078 0.000 1.201 160 Y CA -1.291 56.858 58.100 0.082 0.000 1.465 160 Y CB 0.027 38.516 38.460 0.047 0.000 1.283 160 Y HN 0.271 nan 8.280 nan 0.000 0.563 161 P HA 0.100 nan 4.420 nan 0.000 0.220 161 P C -0.025 177.128 177.300 -0.244 0.000 1.806 161 P CA 0.001 62.933 63.100 -0.280 0.000 0.976 161 P CB 0.461 32.026 31.700 -0.227 0.000 1.952 162 R N 2.535 123.064 120.500 0.048 0.000 2.062 162 R HA -0.004 4.336 4.340 -0.000 0.000 0.231 162 R C 0.634 176.977 176.300 0.072 0.000 1.136 162 R CA 1.457 57.673 56.100 0.194 0.000 0.948 162 R CB -0.363 30.090 30.300 0.256 0.000 0.845 162 R HN 0.142 nan 8.270 nan 0.000 0.430 163 N N 0.750 119.477 118.700 0.045 0.000 2.955 163 N HA 0.190 4.930 4.740 -0.000 0.000 0.242 163 N C 0.009 175.522 175.510 0.004 0.000 1.123 163 N CA 0.555 53.618 53.050 0.022 0.000 0.949 163 N CB 1.386 39.885 38.487 0.018 0.000 1.214 163 N HN 0.322 nan 8.380 nan 0.000 0.504 164 A N 2.009 124.827 122.820 -0.003 0.000 1.929 164 A HA -0.289 4.031 4.320 -0.000 0.000 0.221 164 A C 1.728 179.320 177.584 0.014 0.000 1.211 164 A CA 1.816 53.852 52.037 -0.001 0.000 0.657 164 A CB -0.247 18.747 19.000 -0.009 0.000 0.827 164 A HN 0.526 nan 8.150 nan 0.000 0.462 165 E N 0.031 120.236 120.200 0.008 0.000 2.333 165 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 165 E C 1.610 178.210 176.600 0.001 0.000 1.007 165 E CA 1.130 57.535 56.400 0.009 0.000 0.845 165 E CB -0.071 29.632 29.700 0.005 0.000 0.766 165 E HN 0.481 nan 8.360 nan 0.000 0.507 166 K N 0.344 120.739 120.400 -0.009 0.000 2.356 166 K HA 0.269 4.589 4.320 -0.000 0.000 0.195 166 K C 0.559 177.125 176.600 -0.056 0.000 1.037 166 K CA 0.400 56.672 56.287 -0.025 0.000 1.014 166 K CB 0.270 32.757 32.500 -0.022 0.000 0.815 166 K HN 0.152 nan 8.250 nan 0.000 0.507 167 A N 2.000 124.781 122.820 -0.065 0.000 2.440 167 A HA 0.302 4.622 4.320 -0.000 0.000 0.251 167 A C -0.135 177.332 177.584 -0.194 0.000 1.089 167 A CA -0.094 51.836 52.037 -0.178 0.000 0.779 167 A CB 0.201 19.103 19.000 -0.164 0.000 1.022 167 A HN 0.215 nan 8.150 nan 0.000 0.492 168 R N 2.157 122.446 120.500 -0.352 0.000 2.502 168 R HA 0.485 4.825 4.340 -0.000 0.000 0.298 168 R C -1.922 174.150 176.300 -0.381 0.000 1.018 168 R CA -0.401 55.569 56.100 -0.217 0.000 0.899 168 R CB 0.884 31.119 30.300 -0.109 0.000 1.181 168 R HN 0.746 nan 8.270 nan 0.000 0.444 169 Y N 3.859 124.146 120.300 -0.021 0.000 2.352 169 Y HA 0.434 4.984 4.550 -0.000 0.000 0.326 169 Y C 0.073 175.952 175.900 -0.036 0.000 1.166 169 Y CA -0.674 57.409 58.100 -0.029 0.000 1.182 169 Y CB 1.505 39.948 38.460 -0.028 0.000 1.216 169 Y HN 0.293 nan 8.280 nan 0.000 0.474 170 L N 3.577 124.844 121.223 0.073 0.000 2.372 170 L HA 0.418 4.758 4.340 -0.000 0.000 0.274 170 L C -0.482 176.377 176.870 -0.018 0.000 0.988 170 L CA -0.857 53.984 54.840 0.001 0.000 0.833 170 L CB 1.820 43.862 42.059 -0.028 0.000 1.236 170 L HN 0.542 nan 8.230 nan 0.000 0.410 171 K N 2.120 122.435 120.400 -0.142 0.000 2.205 171 K HA 0.205 4.525 4.320 -0.000 0.000 0.279 171 K C -0.526 176.012 176.600 -0.103 0.000 1.027 171 K CA -0.565 55.620 56.287 -0.168 0.000 0.932 171 K CB 0.790 33.057 32.500 -0.388 0.000 1.032 171 K HN 0.490 nan 8.250 nan 0.000 0.466 172 H N 2.952 121.990 119.070 -0.053 0.000 2.690 172 H HA 0.198 4.754 4.556 -0.000 0.000 0.314 172 H C -1.181 174.128 175.328 -0.032 0.000 1.069 172 H CA -0.283 55.773 56.048 0.014 0.000 1.436 172 H CB 0.682 30.536 29.762 0.154 0.000 1.462 172 H HN 0.234 nan 8.280 nan 0.000 0.511 173 V N 5.793 125.445 119.914 -0.438 0.000 2.348 173 V HA 0.194 4.314 4.120 -0.000 0.000 0.270 173 V C 1.386 177.047 176.094 -0.722 0.000 1.037 173 V CA 0.075 62.139 62.300 -0.393 0.000 0.872 173 V CB 1.239 32.992 31.823 -0.117 0.000 1.002 173 V HN 1.096 nan 8.190 nan 0.000 0.464 174 G N 6.139 114.572 108.800 -0.611 0.000 3.272 174 G HA2 0.072 4.032 3.960 -0.000 0.000 0.220 174 G HA3 0.072 4.032 3.960 -0.000 0.000 0.220 174 G C 0.196 174.913 174.900 -0.305 0.000 1.130 174 G CA 0.126 44.938 45.100 -0.480 0.000 1.657 174 G HN 0.624 nan 8.290 nan 0.000 0.557 175 I N 0.038 120.367 120.570 -0.401 0.000 2.378 175 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 175 I C -0.782 175.144 176.117 -0.318 0.000 0.992 175 I CA -0.975 60.211 61.300 -0.191 0.000 1.154 175 I CB 1.534 39.471 38.000 -0.104 0.000 1.315 175 I HN 0.028 nan 8.210 nan 0.000 0.448 176 Y N 4.022 124.287 120.300 -0.058 0.000 2.524 176 Y HA 0.759 5.308 4.550 -0.000 0.000 0.344 176 Y C 0.085 175.852 175.900 -0.221 0.000 1.012 176 Y CA -1.036 56.937 58.100 -0.211 0.000 1.068 176 Y CB 2.039 40.213 38.460 -0.477 0.000 1.249 176 Y HN 0.519 nan 8.280 nan 0.000 0.468 177 A N 1.901 124.648 122.820 -0.122 0.000 2.335 177 A HA 0.780 5.100 4.320 -0.000 0.000 0.304 177 A C -2.078 175.430 177.584 -0.127 0.000 1.118 177 A CA -0.611 51.405 52.037 -0.036 0.000 0.757 177 A CB 0.243 19.254 19.000 0.019 0.000 1.188 177 A HN 0.680 nan 8.150 nan 0.000 0.460 178 Y N 0.955 121.344 120.300 0.148 0.000 2.393 178 Y HA 0.628 5.178 4.550 -0.000 0.000 0.341 178 Y C 0.629 176.618 175.900 0.148 0.000 0.988 178 Y CA -0.694 57.476 58.100 0.117 0.000 1.078 178 Y CB 1.661 40.146 38.460 0.041 0.000 1.203 178 Y HN 0.816 nan 8.280 nan 0.000 0.453 179 R N 1.225 121.890 120.500 0.275 0.000 2.641 179 R HA 0.191 4.531 4.340 -0.000 0.000 0.269 179 R C 1.597 178.030 176.300 0.221 0.000 1.074 179 R CA -0.047 56.176 56.100 0.206 0.000 1.133 179 R CB 0.455 30.842 30.300 0.145 0.000 1.029 179 R HN 0.804 nan 8.270 nan 0.000 0.488 180 R N 1.299 121.930 120.500 0.218 0.000 2.091 180 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 180 R C 0.866 177.205 176.300 0.065 0.000 1.136 180 R CA 2.459 58.677 56.100 0.196 0.000 0.959 180 R CB -0.221 30.211 30.300 0.220 0.000 0.856 180 R HN 0.883 nan 8.270 nan 0.000 0.437 181 D N -0.752 119.692 120.400 0.073 0.000 2.219 181 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 181 D C 1.708 178.034 176.300 0.043 0.000 0.970 181 D CA 0.856 54.885 54.000 0.048 0.000 0.851 181 D CB -0.081 40.751 40.800 0.054 0.000 0.943 181 D HN 0.113 nan 8.370 nan 0.000 0.488 182 V N 0.511 120.463 119.914 0.065 0.000 2.358 182 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 182 V C 2.526 178.632 176.094 0.021 0.000 1.047 182 V CA 1.196 63.545 62.300 0.081 0.000 1.035 182 V CB -0.547 31.372 31.823 0.159 0.000 0.658 182 V HN 0.296 nan 8.190 nan 0.000 0.452 183 L N -0.624 120.541 121.223 -0.097 0.000 2.156 183 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 183 L C 2.646 179.424 176.870 -0.152 0.000 1.095 183 L CA 1.361 56.053 54.840 -0.246 0.000 0.770 183 L CB -0.539 41.238 42.059 -0.469 0.000 0.914 183 L HN 0.352 nan 8.230 nan 0.000 0.439 184 Q N -0.174 119.567 119.800 -0.097 0.000 2.119 184 Q HA -0.134 4.206 4.340 -0.000 0.000 0.201 184 Q C 1.549 177.559 176.000 0.017 0.000 0.972 184 Q CA 1.146 56.926 55.803 -0.038 0.000 0.847 184 Q CB 0.016 28.752 28.738 -0.004 0.000 0.903 184 Q HN 0.510 nan 8.270 nan 0.000 0.433 185 N N -0.693 118.023 118.700 0.026 0.000 2.353 185 N HA -0.058 4.682 4.740 -0.000 0.000 0.185 185 N C 1.079 176.606 175.510 0.029 0.000 1.098 185 N CA 0.209 53.276 53.050 0.028 0.000 0.872 185 N CB 0.117 38.619 38.487 0.025 0.000 0.970 185 N HN 0.271 nan 8.380 nan 0.000 0.467 186 Y N 2.806 123.059 120.300 -0.079 0.000 2.114 186 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 186 Y C 2.532 178.389 175.900 -0.072 0.000 1.165 186 Y CA 2.092 60.136 58.100 -0.094 0.000 1.148 186 Y CB -0.321 38.037 38.460 -0.170 0.000 0.972 186 Y HN 0.094 nan 8.280 nan 0.000 0.504 187 S N -0.798 114.927 115.700 0.042 0.000 2.500 187 S HA -0.170 4.300 4.470 -0.000 0.000 0.239 187 S C 1.536 176.087 174.600 -0.081 0.000 0.989 187 S CA 1.021 59.213 58.200 -0.013 0.000 0.951 187 S CB -0.269 62.971 63.200 0.067 0.000 0.759 187 S HN 0.514 nan 8.310 nan 0.000 0.523 188 Q N 0.761 120.508 119.800 -0.088 0.000 2.354 188 Q HA 0.347 4.687 4.340 -0.000 0.000 0.203 188 Q C 0.585 176.515 176.000 -0.116 0.000 0.933 188 Q CA 0.139 55.897 55.803 -0.076 0.000 0.901 188 Q CB -0.343 28.369 28.738 -0.044 0.000 1.007 188 Q HN 0.584 nan 8.270 nan 0.000 0.495 189 L N 3.974 125.078 121.223 -0.199 0.000 2.453 189 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 189 L C -1.770 174.980 176.870 -0.199 0.000 1.182 189 L CA -1.177 53.533 54.840 -0.215 0.000 0.858 189 L CB -0.116 41.744 42.059 -0.332 0.000 1.120 189 L HN 0.001 nan 8.230 nan 0.000 0.474 190 P HA 0.220 nan 4.420 nan 0.000 0.281 190 P C -1.037 176.208 177.300 -0.091 0.000 1.264 190 P CA -0.764 62.280 63.100 -0.093 0.000 0.824 190 P CB 0.913 32.578 31.700 -0.057 0.000 1.092 191 E N 0.315 120.478 120.200 -0.063 0.000 2.344 191 E HA 0.201 4.551 4.350 -0.000 0.000 0.270 191 E C 0.484 177.073 176.600 -0.018 0.000 1.021 191 E CA -0.176 56.200 56.400 -0.040 0.000 0.887 191 E CB 0.469 30.157 29.700 -0.021 0.000 0.997 191 E HN 0.429 nan 8.360 nan 0.000 0.429 192 S N 3.286 118.984 115.700 -0.004 0.000 2.652 192 S HA 0.117 4.586 4.470 -0.000 0.000 0.270 192 S C 1.000 175.616 174.600 0.027 0.000 1.243 192 S CA -0.820 57.389 58.200 0.015 0.000 0.999 192 S CB 1.384 64.604 63.200 0.034 0.000 0.973 192 S HN 0.639 nan 8.310 nan 0.000 0.544 193 M N 0.834 120.453 119.600 0.032 0.000 2.132 193 M HA 0.078 4.558 4.480 -0.000 0.000 0.263 193 M C -1.307 175.028 176.300 0.057 0.000 1.065 193 M CA 1.266 56.587 55.300 0.036 0.000 1.122 193 M CB -2.372 30.244 32.600 0.028 0.000 1.365 193 M HN 0.475 nan 8.290 nan 0.000 0.411 194 P HA -0.134 nan 4.420 nan 0.000 0.217 194 P C 1.363 178.731 177.300 0.112 0.000 1.150 194 P CA 1.223 64.404 63.100 0.135 0.000 0.832 194 P CB -0.230 31.601 31.700 0.219 0.000 0.787 195 E N 0.203 120.452 120.200 0.082 0.000 2.031 195 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 195 E C 1.918 178.545 176.600 0.046 0.000 0.994 195 E CA 1.320 57.752 56.400 0.054 0.000 0.800 195 E CB -0.263 29.460 29.700 0.037 0.000 0.752 195 E HN 0.283 nan 8.360 nan 0.000 0.447 196 Q N -0.213 119.612 119.800 0.041 0.000 2.170 196 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 196 Q C 2.067 178.092 176.000 0.040 0.000 0.976 196 Q CA 1.184 57.008 55.803 0.035 0.000 0.858 196 Q CB -0.060 28.694 28.738 0.028 0.000 0.907 196 Q HN 0.314 nan 8.270 nan 0.000 0.433 197 A N 1.394 124.245 122.820 0.051 0.000 1.854 197 A HA -0.150 4.169 4.320 -0.000 0.000 0.214 197 A C 1.852 179.473 177.584 0.060 0.000 1.192 197 A CA 1.059 53.130 52.037 0.056 0.000 0.611 197 A CB -0.177 18.863 19.000 0.067 0.000 0.832 197 A HN 0.198 nan 8.150 nan 0.000 0.442 198 E N -0.580 119.663 120.200 0.072 0.000 2.371 198 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 198 E C 0.319 176.947 176.600 0.047 0.000 1.012 198 E CA 0.708 57.147 56.400 0.066 0.000 0.860 198 E CB 0.099 29.843 29.700 0.073 0.000 0.811 198 E HN 0.420 nan 8.360 nan 0.000 0.502 199 S N -0.014 115.711 115.700 0.042 0.000 3.698 199 S HA -0.168 4.302 4.470 -0.000 0.000 0.338 199 S C -0.190 174.427 174.600 0.028 0.000 1.089 199 S CA 0.123 58.343 58.200 0.034 0.000 0.991 199 S CB -1.525 61.696 63.200 0.034 0.000 0.909 199 S HN 0.225 nan 8.310 nan 0.000 0.485 200 L N 1.502 122.737 121.223 0.020 0.000 2.318 200 L HA 0.400 4.740 4.340 -0.000 0.000 0.277 200 L C 1.227 178.089 176.870 -0.012 0.000 1.008 200 L CA -0.355 54.483 54.840 -0.003 0.000 0.846 200 L CB 1.334 43.373 42.059 -0.033 0.000 1.220 200 L HN 0.374 nan 8.230 nan 0.000 0.423 201 E N 2.592 122.788 120.200 -0.006 0.000 2.118 201 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 201 E C 1.707 178.296 176.600 -0.017 0.000 0.992 201 E CA 1.505 57.906 56.400 0.003 0.000 0.804 201 E CB 0.300 30.000 29.700 0.001 0.000 0.741 201 E HN 0.751 nan 8.360 nan 0.000 0.458 202 Q N 0.540 120.284 119.800 -0.094 0.000 2.364 202 Q HA -0.176 4.164 4.340 -0.000 0.000 0.209 202 Q C 1.987 177.939 176.000 -0.080 0.000 0.977 202 Q CA 1.059 56.771 55.803 -0.150 0.000 0.885 202 Q CB -0.402 28.118 28.738 -0.364 0.000 0.941 202 Q HN 0.441 nan 8.270 nan 0.000 0.464 203 L N 0.450 121.648 121.223 -0.042 0.000 2.551 203 L HA 0.037 4.377 4.340 -0.000 0.000 0.228 203 L C 2.743 179.651 176.870 0.063 0.000 1.153 203 L CA 0.548 55.417 54.840 0.048 0.000 0.851 203 L CB -0.347 41.753 42.059 0.068 0.000 0.959 203 L HN 0.191 nan 8.230 nan 0.000 0.451 204 R N 0.693 121.217 120.500 0.040 0.000 2.115 204 R HA -0.097 4.243 4.340 -0.000 0.000 0.226 204 R C 2.174 178.488 176.300 0.023 0.000 1.100 204 R CA 1.017 57.126 56.100 0.015 0.000 0.980 204 R CB 0.002 30.291 30.300 -0.020 0.000 0.875 204 R HN 0.332 nan 8.270 nan 0.000 0.445 205 L N -0.051 121.217 121.223 0.075 0.000 2.072 205 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 205 L C 2.535 179.460 176.870 0.092 0.000 1.079 205 L CA 1.156 56.056 54.840 0.099 0.000 0.752 205 L CB -0.300 41.849 42.059 0.150 0.000 0.906 205 L HN 0.234 nan 8.230 nan 0.000 0.436 206 M N -0.353 119.314 119.600 0.112 0.000 2.229 206 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 206 M C 1.946 178.305 176.300 0.098 0.000 1.063 206 M CA 1.489 56.866 55.300 0.129 0.000 1.114 206 M CB -0.630 32.085 32.600 0.192 0.000 1.387 206 M HN 0.274 nan 8.290 nan 0.000 0.420 207 N N 1.111 119.859 118.700 0.080 0.000 2.166 207 N HA -0.090 4.650 4.740 -0.000 0.000 0.186 207 N C 1.414 176.944 175.510 0.032 0.000 1.019 207 N CA 1.703 54.785 53.050 0.054 0.000 0.856 207 N CB -0.029 38.480 38.487 0.036 0.000 0.993 207 N HN 0.288 nan 8.380 nan 0.000 0.426 208 A N -1.061 121.774 122.820 0.026 0.000 2.238 208 A HA 0.370 4.690 4.320 -0.000 0.000 0.208 208 A C 1.454 179.056 177.584 0.029 0.000 1.177 208 A CA 0.732 52.778 52.037 0.015 0.000 0.804 208 A CB -0.776 18.223 19.000 -0.002 0.000 0.823 208 A HN 0.530 nan 8.150 nan 0.000 0.482 209 G N -0.866 107.961 108.800 0.044 0.000 2.143 209 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.249 209 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.249 209 G C 0.062 174.994 174.900 0.055 0.000 0.981 209 G CA 0.193 45.320 45.100 0.045 0.000 0.665 209 G HN 0.484 nan 8.290 nan 0.000 0.528 210 I N 1.238 121.850 120.570 0.069 0.000 2.379 210 I HA 0.155 4.325 4.170 -0.000 0.000 0.290 210 I C 0.704 176.878 176.117 0.094 0.000 1.063 210 I CA -0.738 60.612 61.300 0.083 0.000 1.351 210 I CB 0.740 38.801 38.000 0.102 0.000 1.410 210 I HN 0.174 nan 8.210 nan 0.000 0.505 211 N N 7.601 126.349 118.700 0.081 0.000 2.483 211 N HA 0.265 5.005 4.740 -0.000 0.000 0.264 211 N C -0.888 174.677 175.510 0.093 0.000 1.197 211 N CA 0.255 53.350 53.050 0.076 0.000 0.927 211 N CB 0.576 39.094 38.487 0.051 0.000 1.065 211 N HN 0.426 nan 8.380 nan 0.000 0.461 212 I N 2.820 123.452 120.570 0.103 0.000 2.420 212 I HA 0.250 4.420 4.170 -0.000 0.000 0.282 212 I C 0.226 176.381 176.117 0.064 0.000 1.019 212 I CA -0.786 60.590 61.300 0.127 0.000 1.130 212 I CB 1.299 39.437 38.000 0.230 0.000 1.262 212 I HN 0.431 nan 8.210 nan 0.000 0.454 213 R N 4.131 124.635 120.500 0.008 0.000 2.357 213 R HA 0.443 4.783 4.340 -0.000 0.000 0.296 213 R C -0.753 175.426 176.300 -0.202 0.000 1.052 213 R CA -0.017 55.990 56.100 -0.154 0.000 0.988 213 R CB 0.977 31.129 30.300 -0.246 0.000 1.025 213 R HN 0.491 nan 8.270 nan 0.000 0.469 214 T N 5.634 120.020 114.554 -0.281 0.000 2.788 214 T HA 0.334 4.684 4.350 -0.000 0.000 0.296 214 T C -0.821 173.708 174.700 -0.285 0.000 1.009 214 T CA -0.320 61.684 62.100 -0.161 0.000 0.949 214 T CB 0.167 69.004 68.868 -0.051 0.000 0.946 214 T HN 0.306 nan 8.240 nan 0.000 0.453 215 F N 1.956 121.920 119.950 0.023 0.000 2.404 215 F HA 0.344 4.871 4.527 -0.000 0.000 0.345 215 F C 1.083 176.896 175.800 0.021 0.000 1.110 215 F CA -0.927 57.082 58.000 0.015 0.000 1.130 215 F CB 0.840 39.844 39.000 0.007 0.000 1.129 215 F HN 0.454 nan 8.300 nan 0.000 0.500 216 E N 2.951 123.257 120.200 0.177 0.000 2.283 216 E HA 0.528 4.878 4.350 -0.000 0.000 0.278 216 E C -0.962 175.710 176.600 0.121 0.000 1.027 216 E CA -0.527 55.947 56.400 0.123 0.000 0.843 216 E CB 1.230 30.977 29.700 0.078 0.000 1.062 216 E HN 0.540 nan 8.360 nan 0.000 0.401 217 V N 0.164 120.146 119.914 0.112 0.000 3.156 217 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 217 V C -0.114 176.018 176.094 0.062 0.000 1.208 217 V CA -0.855 61.488 62.300 0.072 0.000 1.063 217 V CB 1.002 32.855 31.823 0.051 0.000 1.098 217 V HN 0.782 nan 8.190 nan 0.000 0.452 218 A N 0.469 123.292 122.820 0.004 0.000 2.327 218 A HA 0.786 5.106 4.320 -0.000 0.000 0.255 218 A C 0.862 178.339 177.584 -0.178 0.000 1.099 218 A CA 0.062 52.072 52.037 -0.045 0.000 0.801 218 A CB -0.226 18.743 19.000 -0.052 0.000 1.062 218 A HN 2.436 nan 8.150 nan 0.000 0.496 219 A N 0.897 123.534 122.820 -0.304 0.000 2.566 219 A HA 0.458 4.778 4.320 -0.000 0.000 0.245 219 A C 0.983 178.278 177.584 -0.481 0.000 1.056 219 A CA 0.623 52.228 52.037 -0.721 0.000 0.757 219 A CB -0.928 17.831 19.000 -0.401 0.000 0.979 219 A HN 1.493 nan 8.150 nan 0.000 0.508 220 T N 1.299 115.531 114.554 -0.537 0.000 2.849 220 T HA 0.564 4.914 4.350 -0.000 0.000 0.284 220 T C 0.779 175.401 174.700 -0.130 0.000 1.004 220 T CA -0.126 61.855 62.100 -0.198 0.000 1.021 220 T CB 1.113 69.941 68.868 -0.067 0.000 1.013 220 T HN 1.182 nan 8.240 nan 0.000 0.527 221 G N 1.364 110.116 108.800 -0.079 0.000 2.594 221 G HA2 0.470 4.430 3.960 -0.000 0.000 0.243 221 G HA3 0.470 4.430 3.960 -0.000 0.000 0.243 221 G C -2.170 172.707 174.900 -0.038 0.000 1.229 221 G CA -1.270 43.795 45.100 -0.059 0.000 0.843 221 G HN 0.783 nan 8.290 nan 0.000 0.578 222 P HA 0.180 nan 4.420 nan 0.000 0.271 222 P C 0.415 177.703 177.300 -0.020 0.000 1.233 222 P CA 0.037 63.126 63.100 -0.019 0.000 0.764 222 P CB 0.940 32.627 31.700 -0.021 0.000 0.825 223 G N 2.810 111.604 108.800 -0.010 0.000 2.432 223 G HA2 0.292 4.252 3.960 -0.000 0.000 0.257 223 G HA3 0.292 4.252 3.960 -0.000 0.000 0.257 223 G C -0.120 174.773 174.900 -0.012 0.000 1.238 223 G CA -0.496 44.597 45.100 -0.010 0.000 0.838 223 G HN 0.379 nan 8.290 nan 0.000 0.547 224 V N 2.976 122.880 119.914 -0.016 0.000 2.446 224 V HA 0.142 4.262 4.120 -0.000 0.000 0.276 224 V C 0.258 176.345 176.094 -0.011 0.000 1.030 224 V CA 0.381 62.671 62.300 -0.017 0.000 1.033 224 V CB 1.059 32.868 31.823 -0.023 0.000 0.993 224 V HN 0.844 nan 8.190 nan 0.000 0.477 225 D N 1.469 121.863 120.400 -0.010 0.000 2.212 225 D HA 0.119 4.759 4.640 -0.000 0.000 0.311 225 D C 0.753 177.048 176.300 -0.008 0.000 1.091 225 D CA 0.489 54.486 54.000 -0.006 0.000 0.910 225 D CB 1.062 41.862 40.800 -0.000 0.000 1.707 225 D HN 0.584 nan 8.370 nan 0.000 0.522 226 T N 0.689 115.238 114.554 -0.008 0.000 2.908 226 T HA 0.369 4.719 4.350 -0.000 0.000 0.290 226 T C -2.145 172.548 174.700 -0.011 0.000 1.034 226 T CA -2.165 59.930 62.100 -0.008 0.000 1.010 226 T CB 2.081 70.946 68.868 -0.005 0.000 1.068 226 T HN -0.270 nan 8.240 nan 0.000 0.481 227 P HA 0.023 nan 4.420 nan 0.000 0.225 227 P C 1.108 178.401 177.300 -0.012 0.000 1.148 227 P CA 0.660 63.753 63.100 -0.012 0.000 0.779 227 P CB 0.011 31.705 31.700 -0.010 0.000 0.780 228 A N -0.490 122.324 122.820 -0.010 0.000 1.929 228 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 228 A C 2.368 179.944 177.584 -0.013 0.000 1.176 228 A CA 1.273 53.304 52.037 -0.010 0.000 0.628 228 A CB -1.416 17.579 19.000 -0.008 0.000 0.816 228 A HN 0.248 nan 8.150 nan 0.000 0.444 229 C N -1.249 118.043 119.300 -0.013 0.000 2.495 229 C HA 0.126 4.586 4.460 -0.000 0.000 0.275 229 C C 2.423 177.400 174.990 -0.023 0.000 1.392 229 C CA 0.657 59.665 59.018 -0.016 0.000 1.766 229 C CB -1.055 26.677 27.740 -0.014 0.000 1.933 229 C HN 0.669 nan 8.230 nan 0.000 0.519 230 L N 1.634 122.844 121.223 -0.022 0.000 2.056 230 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 230 L C 2.403 179.255 176.870 -0.030 0.000 1.078 230 L CA 2.106 56.930 54.840 -0.028 0.000 0.749 230 L CB -0.713 41.332 42.059 -0.023 0.000 0.901 230 L HN 0.218 nan 8.230 nan 0.000 0.433 231 E N -0.021 120.165 120.200 -0.024 0.000 2.106 231 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 231 E C 2.149 178.733 176.600 -0.027 0.000 0.984 231 E CA 1.098 57.484 56.400 -0.023 0.000 0.806 231 E CB -0.253 29.438 29.700 -0.017 0.000 0.750 231 E HN 0.562 nan 8.360 nan 0.000 0.458 232 K N 0.897 121.281 120.400 -0.026 0.000 2.097 232 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 232 K C 2.067 178.645 176.600 -0.037 0.000 1.050 232 K CA 0.753 57.023 56.287 -0.028 0.000 0.938 232 K CB 0.186 32.671 32.500 -0.024 0.000 0.718 232 K HN -0.089 nan 8.250 nan 0.000 0.442 233 V N 1.149 121.037 119.914 -0.045 0.000 2.379 233 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 233 V C 2.317 178.365 176.094 -0.076 0.000 1.044 233 V CA 1.545 63.807 62.300 -0.063 0.000 1.036 233 V CB -0.438 31.343 31.823 -0.070 0.000 0.664 233 V HN 0.319 nan 8.190 nan 0.000 0.453 234 R N 0.146 120.607 120.500 -0.065 0.000 2.083 234 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 234 R C 2.396 178.666 176.300 -0.050 0.000 1.137 234 R CA 1.642 57.705 56.100 -0.062 0.000 0.951 234 R CB -0.570 29.706 30.300 -0.041 0.000 0.851 234 R HN 0.532 nan 8.270 nan 0.000 0.434 235 A N 0.587 123.384 122.820 -0.039 0.000 1.968 235 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 235 A C 1.970 179.534 177.584 -0.034 0.000 1.169 235 A CA 0.862 52.881 52.037 -0.030 0.000 0.638 235 A CB -0.203 18.783 19.000 -0.024 0.000 0.812 235 A HN 0.129 nan 8.150 nan 0.000 0.446 236 L N -1.662 119.536 121.223 -0.041 0.000 2.217 236 L HA 0.044 4.384 4.340 -0.000 0.000 0.211 236 L C 2.388 179.228 176.870 -0.049 0.000 1.107 236 L CA 1.809 56.624 54.840 -0.042 0.000 0.783 236 L CB -0.488 41.544 42.059 -0.045 0.000 0.919 236 L HN 0.463 nan 8.230 nan 0.000 0.442 237 M N -1.365 118.195 119.600 -0.065 0.000 2.193 237 M HA 0.009 4.489 4.480 -0.000 0.000 0.265 237 M C 2.174 178.446 176.300 -0.046 0.000 1.071 237 M CA 1.714 56.967 55.300 -0.078 0.000 1.140 237 M CB -0.296 32.218 32.600 -0.144 0.000 1.369 237 M HN 0.162 nan 8.290 nan 0.000 0.423 238 A N -0.632 122.166 122.820 -0.038 0.000 1.930 238 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 238 A C 2.149 179.723 177.584 -0.017 0.000 1.175 238 A CA 1.591 53.616 52.037 -0.020 0.000 0.627 238 A CB -0.877 18.113 19.000 -0.017 0.000 0.815 238 A HN 0.622 nan 8.150 nan 0.000 0.443 239 Q N -0.080 119.707 119.800 -0.021 0.000 2.224 239 Q HA -0.189 4.151 4.340 -0.000 0.000 0.203 239 Q C 1.812 177.802 176.000 -0.017 0.000 0.970 239 Q CA 1.853 57.645 55.803 -0.018 0.000 0.865 239 Q CB -0.137 28.588 28.738 -0.021 0.000 0.922 239 Q HN 0.831 nan 8.270 nan 0.000 0.445 240 E N -0.292 119.896 120.200 -0.020 0.000 2.152 240 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 240 E C 2.206 178.801 176.600 -0.010 0.000 0.983 240 E CA 0.290 56.680 56.400 -0.017 0.000 0.818 240 E CB 0.093 29.780 29.700 -0.022 0.000 0.758 240 E HN 0.345 nan 8.360 nan 0.000 0.467 241 L N 0.222 121.442 121.223 -0.006 0.000 2.017 241 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 241 L C 2.555 179.423 176.870 -0.003 0.000 1.073 241 L CA 1.166 56.006 54.840 -0.000 0.000 0.745 241 L CB -0.408 41.654 42.059 0.005 0.000 0.894 241 L HN 0.184 nan 8.230 nan 0.000 0.432 242 A N -0.762 122.055 122.820 -0.005 0.000 2.066 242 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 242 A C 2.224 179.804 177.584 -0.006 0.000 1.157 242 A CA 1.254 53.288 52.037 -0.005 0.000 0.670 242 A CB -0.340 18.656 19.000 -0.006 0.000 0.804 242 A HN 0.472 nan 8.150 nan 0.000 0.453 243 E N 0.069 120.264 120.200 -0.008 0.000 2.230 243 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 243 E C -0.012 176.584 176.600 -0.008 0.000 0.987 243 E CA 0.436 56.831 56.400 -0.009 0.000 0.841 243 E CB 0.020 29.713 29.700 -0.011 0.000 0.783 243 E HN 0.490 nan 8.360 nan 0.000 0.481 244 N N 0.820 119.516 118.700 -0.007 0.000 2.671 244 N HA 0.215 4.955 4.740 -0.000 0.000 0.303 244 N C -0.869 174.638 175.510 -0.005 0.000 1.351 244 N CA 0.052 53.099 53.050 -0.006 0.000 0.991 244 N CB 1.325 39.808 38.487 -0.006 0.000 1.307 244 N HN 0.079 nan 8.380 nan 0.000 0.512 245 A N 0.000 122.817 122.820 -0.005 0.000 2.254 245 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 245 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 245 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486