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 2rjh_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQAATVVINR RALRHNLQRL RELAPASKMV AVVKANAYGH GLLETARTLP DATA SEQUENCE DADAFGVARL EEALRLRAGG ITKPVLLLEG FFDARDLPTI SAQHFHTAVH DATA SEQUENCE NEEQLAALEE ASLDEPVTVW MXLDTGMHRL GVRPEQAEAF YHRLTQCKNV DATA SEQUENCE RQPVNIVSHF ARADEPKCGA TEKQLAIFNT FCEGKPGQRS IAASGGILLW DATA SEQUENCE PQSHFDWVRP GIILYGVSPL EDRSTGADFG CQPVMSLTSS LIAVREHKAG DATA SEQUENCE EPVGYGGTWV SERDTRLGVV AMGYGDGYPR AAPSGTPVLV NGREVPIVGR DATA SEQUENCE VAMDMICVDL GPQAQDKAGD PVILWGEGLP VERIAEMTKV SAYELITRLT DATA SEQUENCE SRVAMKYVD 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.278 176.300 -0.036 0.000 1.140 1 M CA 0.000 55.280 55.300 -0.033 0.000 0.988 1 M CB 0.000 32.579 32.600 -0.035 0.000 1.302 2 Q N 1.902 121.677 119.800 -0.042 0.000 2.293 2 Q HA 0.857 5.197 4.340 0.001 0.000 0.261 2 Q C -0.819 175.146 176.000 -0.059 0.000 0.960 2 Q CA 0.388 56.163 55.803 -0.047 0.000 0.882 2 Q CB 1.923 30.633 28.738 -0.047 0.000 1.275 2 Q HN 0.744 nan 8.270 nan 0.000 0.445 3 A N 2.634 125.417 122.820 -0.061 0.000 2.869 3 A HA 0.868 5.189 4.320 0.001 0.000 0.244 3 A C -0.626 176.907 177.584 -0.086 0.000 1.374 3 A CA -0.332 51.661 52.037 -0.073 0.000 0.913 3 A CB -0.160 18.800 19.000 -0.065 0.000 1.589 3 A HN 0.965 nan 8.150 nan 0.000 0.485 4 A N 0.334 123.097 122.820 -0.095 0.000 2.547 4 A HA 0.408 4.729 4.320 0.001 0.000 0.269 4 A C 0.220 177.740 177.584 -0.106 0.000 1.041 4 A CA 1.278 53.249 52.037 -0.110 0.000 0.855 4 A CB -1.370 17.572 19.000 -0.097 0.000 0.934 4 A HN 0.764 nan 8.150 nan 0.000 0.521 5 T N 2.653 117.130 114.554 -0.128 0.000 2.881 5 T HA 0.450 4.800 4.350 0.001 0.000 0.290 5 T C -0.487 174.116 174.700 -0.161 0.000 1.000 5 T CA -0.462 61.563 62.100 -0.124 0.000 0.978 5 T CB 1.585 70.391 68.868 -0.104 0.000 0.997 5 T HN 0.392 nan 8.240 nan 0.000 0.443 6 V N 3.985 123.800 119.914 -0.164 0.000 2.350 6 V HA 0.364 4.485 4.120 0.001 0.000 0.276 6 V C -0.046 175.923 176.094 -0.208 0.000 1.028 6 V CA -0.563 61.621 62.300 -0.194 0.000 0.860 6 V CB 1.392 33.103 31.823 -0.185 0.000 0.990 6 V HN 0.716 nan 8.190 nan 0.000 0.453 7 V N 6.799 126.607 119.914 -0.176 0.000 2.370 7 V HA 0.440 4.560 4.120 0.001 0.000 0.279 7 V C -0.056 175.953 176.094 -0.142 0.000 1.029 7 V CA -0.492 61.708 62.300 -0.166 0.000 0.870 7 V CB 1.541 33.305 31.823 -0.098 0.000 0.984 7 V HN 0.549 nan 8.190 nan 0.000 0.451 8 I N 4.579 125.010 120.570 -0.231 0.000 2.339 8 I HA 0.335 4.505 4.170 0.001 0.000 0.290 8 I C 0.204 176.348 176.117 0.044 0.000 0.994 8 I CA -0.492 60.757 61.300 -0.085 0.000 1.191 8 I CB 1.471 39.346 38.000 -0.208 0.000 1.343 8 I HN 0.543 nan 8.210 nan 0.000 0.458 9 N N 6.594 125.359 118.700 0.109 0.000 2.415 9 N HA 0.183 4.924 4.740 0.001 0.000 0.246 9 N C 1.032 176.626 175.510 0.140 0.000 1.078 9 N CA -0.153 52.962 53.050 0.108 0.000 0.942 9 N CB 0.939 39.478 38.487 0.087 0.000 1.140 9 N HN 0.467 nan 8.380 nan 0.000 0.501 10 R N 2.357 122.948 120.500 0.152 0.000 2.148 10 R HA -0.048 4.293 4.340 0.001 0.000 0.227 10 R C 1.850 178.211 176.300 0.101 0.000 1.103 10 R CA 0.777 56.964 56.100 0.145 0.000 0.983 10 R CB 0.165 30.550 30.300 0.142 0.000 0.874 10 R HN 0.508 nan 8.270 nan 0.000 0.451 11 R N 0.980 121.531 120.500 0.085 0.000 2.090 11 R HA -0.043 4.298 4.340 0.001 0.000 0.228 11 R C 2.149 178.500 176.300 0.085 0.000 1.110 11 R CA 1.278 57.422 56.100 0.073 0.000 0.973 11 R CB -0.141 30.190 30.300 0.053 0.000 0.869 11 R HN 0.197 nan 8.270 nan 0.000 0.440 12 A N 1.130 123.994 122.820 0.073 0.000 1.902 12 A HA -0.153 4.168 4.320 0.001 0.000 0.217 12 A C 1.983 179.625 177.584 0.098 0.000 1.181 12 A CA 0.999 53.079 52.037 0.072 0.000 0.623 12 A CB -0.572 18.463 19.000 0.060 0.000 0.818 12 A HN 0.328 nan 8.150 nan 0.000 0.443 13 L N 0.064 121.333 121.223 0.076 0.000 2.012 13 L HA -0.159 4.181 4.340 0.001 0.000 0.210 13 L C 2.573 179.451 176.870 0.014 0.000 1.073 13 L CA 1.979 56.833 54.840 0.024 0.000 0.748 13 L CB -0.731 41.360 42.059 0.054 0.000 0.891 13 L HN 0.376 nan 8.230 nan 0.000 0.431 14 R N -1.843 118.686 120.500 0.048 0.000 2.096 14 R HA -0.188 4.153 4.340 0.001 0.000 0.235 14 R C 2.330 178.646 176.300 0.028 0.000 1.127 14 R CA 1.188 57.306 56.100 0.031 0.000 0.968 14 R CB -0.741 29.586 30.300 0.044 0.000 0.861 14 R HN 0.549 nan 8.270 nan 0.000 0.440 15 H N 1.414 120.475 119.070 -0.015 0.000 2.353 15 H HA -0.069 4.487 4.556 0.001 0.000 0.300 15 H C 1.249 176.559 175.328 -0.031 0.000 1.090 15 H CA 1.571 57.610 56.048 -0.016 0.000 1.327 15 H CB 0.171 29.931 29.762 -0.003 0.000 1.383 15 H HN 0.134 nan 8.280 nan 0.000 0.508 16 N N 1.007 119.732 118.700 0.041 0.000 2.188 16 N HA -0.126 4.615 4.740 0.001 0.000 0.184 16 N C 2.211 177.642 175.510 -0.131 0.000 1.018 16 N CA 0.731 53.759 53.050 -0.038 0.000 0.858 16 N CB -0.558 37.912 38.487 -0.029 0.000 0.989 16 N HN 0.300 nan 8.380 nan 0.000 0.426 17 L N 1.337 122.484 121.223 -0.127 0.000 2.046 17 L HA -0.136 4.204 4.340 0.001 0.000 0.208 17 L C 2.232 179.017 176.870 -0.142 0.000 1.077 17 L CA 1.766 56.525 54.840 -0.135 0.000 0.747 17 L CB -0.779 41.214 42.059 -0.109 0.000 0.896 17 L HN 0.050 nan 8.230 nan 0.000 0.432 18 Q N -0.445 119.261 119.800 -0.157 0.000 2.083 18 Q HA -0.193 4.148 4.340 0.001 0.000 0.198 18 Q C 2.371 178.256 176.000 -0.192 0.000 0.969 18 Q CA 1.541 57.246 55.803 -0.163 0.000 0.838 18 Q CB -0.290 28.351 28.738 -0.160 0.000 0.900 18 Q HN 0.393 nan 8.270 nan 0.000 0.436 19 R N -0.320 120.016 120.500 -0.273 0.000 2.081 19 R HA -0.068 4.273 4.340 0.001 0.000 0.235 19 R C 1.671 177.894 176.300 -0.128 0.000 1.131 19 R CA 1.277 57.238 56.100 -0.231 0.000 0.960 19 R CB -0.788 29.348 30.300 -0.273 0.000 0.856 19 R HN 0.320 nan 8.270 nan 0.000 0.436 20 L N 0.690 121.835 121.223 -0.129 0.000 2.201 20 L HA 0.007 4.347 4.340 0.001 0.000 0.212 20 L C 2.186 178.979 176.870 -0.130 0.000 1.105 20 L CA 1.580 56.348 54.840 -0.121 0.000 0.775 20 L CB -0.922 41.055 42.059 -0.136 0.000 0.913 20 L HN 0.243 nan 8.230 nan 0.000 0.440 21 R N -0.321 120.102 120.500 -0.128 0.000 2.115 21 R HA -0.122 4.218 4.340 0.001 0.000 0.230 21 R C 1.971 178.216 176.300 -0.091 0.000 1.111 21 R CA 0.863 56.891 56.100 -0.120 0.000 0.976 21 R CB -0.058 30.172 30.300 -0.116 0.000 0.870 21 R HN 0.493 nan 8.270 nan 0.000 0.445 22 E N 0.580 120.731 120.200 -0.081 0.000 2.152 22 E HA -0.104 4.247 4.350 0.001 0.000 0.192 22 E C 1.868 178.453 176.600 -0.025 0.000 0.983 22 E CA 0.765 57.134 56.400 -0.051 0.000 0.818 22 E CB 0.085 29.754 29.700 -0.051 0.000 0.758 22 E HN 0.306 nan 8.360 nan 0.000 0.467 23 L N -0.164 121.039 121.223 -0.032 0.000 2.209 23 L HA 0.069 4.409 4.340 0.001 0.000 0.207 23 L C 1.231 178.114 176.870 0.021 0.000 1.094 23 L CA 0.347 55.193 54.840 0.010 0.000 0.790 23 L CB 0.141 42.203 42.059 0.004 0.000 0.932 23 L HN -0.026 nan 8.230 nan 0.000 0.447 24 A N -0.046 122.709 122.820 -0.108 0.000 3.204 24 A HA 0.375 4.695 4.320 0.001 0.000 0.327 24 A C -1.731 175.803 177.584 -0.084 0.000 0.998 24 A CA -0.914 51.014 52.037 -0.182 0.000 0.891 24 A CB -0.103 18.567 19.000 -0.549 0.000 1.061 24 A HN -0.044 nan 8.150 nan 0.000 0.478 25 P HA -0.098 nan 4.420 nan 0.000 0.225 25 P C 0.820 178.103 177.300 -0.027 0.000 1.148 25 P CA 1.619 64.702 63.100 -0.029 0.000 0.779 25 P CB 0.335 32.030 31.700 -0.008 0.000 0.780 26 A N -1.240 121.579 122.820 -0.002 0.000 2.535 26 A HA 0.407 4.727 4.320 0.001 0.000 0.273 26 A C 0.487 178.064 177.584 -0.012 0.000 1.267 26 A CA -0.066 51.972 52.037 0.002 0.000 0.940 26 A CB 0.131 19.156 19.000 0.041 0.000 1.101 26 A HN 0.051 nan 8.150 nan 0.000 0.521 27 S N 0.339 116.001 115.700 -0.062 0.000 2.526 27 S HA 0.449 4.919 4.470 0.001 0.000 0.293 27 S C -0.341 174.113 174.600 -0.244 0.000 1.092 27 S CA -0.722 57.419 58.200 -0.099 0.000 0.980 27 S CB 1.653 64.825 63.200 -0.046 0.000 1.048 27 S HN 0.446 nan 8.310 nan 0.000 0.483 28 K N 1.586 121.702 120.400 -0.473 0.000 2.107 28 K HA 0.428 4.748 4.320 0.001 0.000 0.251 28 K C -0.473 175.863 176.600 -0.441 0.000 1.012 28 K CA -0.424 55.430 56.287 -0.722 0.000 0.920 28 K CB 0.373 31.863 32.500 -1.685 0.000 1.033 28 K HN 0.390 nan 8.250 nan 0.000 0.478 29 M N 2.169 121.560 119.600 -0.348 0.000 2.205 29 M HA 0.235 4.715 4.480 0.001 0.000 0.344 29 M C -0.825 175.467 176.300 -0.015 0.000 1.085 29 M CA -0.774 54.441 55.300 -0.142 0.000 1.001 29 M CB 1.520 34.018 32.600 -0.170 0.000 1.626 29 M HN 0.209 nan 8.290 nan 0.000 0.442 30 V N 3.269 123.225 119.914 0.069 0.000 2.294 30 V HA 0.396 4.517 4.120 0.001 0.000 0.272 30 V C 0.484 176.556 176.094 -0.038 0.000 1.027 30 V CA -0.926 61.399 62.300 0.042 0.000 0.823 30 V CB 0.886 32.722 31.823 0.022 0.000 1.030 30 V HN 0.934 nan 8.190 nan 0.000 0.457 31 A N 5.415 128.187 122.820 -0.080 0.000 2.438 31 A HA 0.480 4.800 4.320 0.001 0.000 0.280 31 A C 0.077 177.720 177.584 0.099 0.000 1.160 31 A CA -0.160 51.871 52.037 -0.010 0.000 0.821 31 A CB 0.067 19.105 19.000 0.063 0.000 1.101 31 A HN 0.652 nan 8.150 nan 0.000 0.515 32 V N 4.765 124.694 119.914 0.026 0.000 2.397 32 V HA 0.133 4.254 4.120 0.001 0.000 0.262 32 V C 1.047 177.228 176.094 0.145 0.000 1.047 32 V CA 0.574 62.922 62.300 0.080 0.000 1.003 32 V CB 0.686 32.548 31.823 0.065 0.000 1.037 32 V HN 0.930 nan 8.190 nan 0.000 0.480 33 V N 2.460 122.496 119.914 0.203 0.000 3.085 33 V HA 0.286 4.407 4.120 0.001 0.000 0.345 33 V C 0.777 177.000 176.094 0.215 0.000 1.397 33 V CA -0.593 61.844 62.300 0.227 0.000 1.165 33 V CB -0.623 31.280 31.823 0.134 0.000 1.153 33 V HN 0.827 nan 8.190 nan 0.000 0.495 34 K N 1.012 121.560 120.400 0.247 0.000 2.230 34 K HA 0.623 4.943 4.320 0.001 0.000 0.253 34 K C 0.674 177.383 176.600 0.182 0.000 1.008 34 K CA 0.256 56.648 56.287 0.176 0.000 0.910 34 K CB 0.564 33.147 32.500 0.139 0.000 0.994 34 K HN 1.206 nan 8.250 nan 0.000 0.495 35 A N 1.536 124.405 122.820 0.081 0.000 2.667 35 A HA -0.226 4.095 4.320 0.001 0.000 0.298 35 A C 0.351 177.974 177.584 0.065 0.000 1.483 35 A CA 0.943 53.001 52.037 0.034 0.000 0.738 35 A CB -2.475 16.489 19.000 -0.060 0.000 1.067 35 A HN 1.071 nan 8.150 nan 0.000 0.451 36 N N -2.268 116.478 118.700 0.076 0.000 2.740 36 N HA 0.047 4.788 4.740 0.001 0.000 0.248 36 N C 0.505 176.090 175.510 0.127 0.000 1.062 36 N CA 2.430 55.529 53.050 0.083 0.000 0.704 36 N CB -1.574 36.949 38.487 0.061 0.000 0.968 36 N HN 2.411 nan 8.380 nan 0.000 0.547 37 A N -0.262 122.661 122.820 0.171 0.000 2.739 37 A HA -0.217 4.103 4.320 0.001 0.000 0.296 37 A C 0.692 178.334 177.584 0.097 0.000 1.488 37 A CA 1.321 53.480 52.037 0.203 0.000 0.746 37 A CB -2.380 16.749 19.000 0.215 0.000 1.047 37 A HN 1.313 nan 8.150 nan 0.000 0.477 38 Y N -3.140 117.089 120.300 -0.119 0.000 3.825 38 Y HA -0.137 4.414 4.550 0.001 0.000 0.221 38 Y C 2.022 177.894 175.900 -0.047 0.000 1.195 38 Y CA 2.037 60.051 58.100 -0.143 0.000 1.699 38 Y CB -1.711 36.495 38.460 -0.423 0.000 1.531 38 Y HN 2.411 nan 8.280 nan 0.000 0.640 39 G N -1.828 107.025 108.800 0.088 0.000 2.175 39 G HA2 -0.373 3.588 3.960 0.001 0.000 0.244 39 G HA3 -0.373 3.588 3.960 0.001 0.000 0.244 39 G C 0.479 175.310 174.900 -0.116 0.000 0.982 39 G CA 0.444 45.528 45.100 -0.028 0.000 0.641 39 G HN 0.615 nan 8.290 nan 0.000 0.527 40 H N 0.249 119.300 119.070 -0.032 0.000 2.575 40 H HA 0.479 5.035 4.556 0.001 0.000 0.267 40 H C 1.494 176.918 175.328 0.161 0.000 0.966 40 H CA 1.111 57.185 56.048 0.044 0.000 1.165 40 H CB 0.716 30.518 29.762 0.068 0.000 1.433 40 H HN 1.489 nan 8.280 nan 0.000 0.544 41 G N 0.728 109.668 108.800 0.233 0.000 3.380 41 G HA2 -0.177 3.784 3.960 0.001 0.000 0.685 41 G HA3 -0.177 3.784 3.960 0.001 0.000 0.685 41 G C 0.360 175.354 174.900 0.157 0.000 1.136 41 G CA -0.086 45.147 45.100 0.222 0.000 1.011 41 G HN 0.261 nan 8.290 nan 0.000 0.471 42 L N 3.083 124.360 121.223 0.091 0.000 1.956 42 L HA -0.031 4.310 4.340 0.001 0.000 0.216 42 L C 2.634 179.479 176.870 -0.043 0.000 1.073 42 L CA 3.230 58.090 54.840 0.033 0.000 0.762 42 L CB -0.632 41.435 42.059 0.015 0.000 0.889 42 L HN 0.908 nan 8.230 nan 0.000 0.433 43 L N -0.630 120.561 121.223 -0.052 0.000 2.056 43 L HA -0.112 4.229 4.340 0.001 0.000 0.207 43 L C 2.453 179.243 176.870 -0.134 0.000 1.078 43 L CA 1.606 56.382 54.840 -0.107 0.000 0.749 43 L CB -0.867 41.146 42.059 -0.078 0.000 0.901 43 L HN 0.335 nan 8.230 nan 0.000 0.433 44 E N -0.798 119.325 120.200 -0.129 0.000 2.106 44 E HA -0.149 4.201 4.350 0.001 0.000 0.192 44 E C 2.107 178.650 176.600 -0.094 0.000 0.984 44 E CA 1.614 57.868 56.400 -0.244 0.000 0.806 44 E CB -0.563 28.741 29.700 -0.660 0.000 0.750 44 E HN 0.493 nan 8.360 nan 0.000 0.458 45 T N 1.150 115.723 114.554 0.033 0.000 2.788 45 T HA -0.080 4.270 4.350 0.001 0.000 0.268 45 T C 1.894 176.589 174.700 -0.008 0.000 1.044 45 T CA 1.341 63.500 62.100 0.099 0.000 1.139 45 T CB -0.102 68.889 68.868 0.206 0.000 0.867 45 T HN 0.265 nan 8.240 nan 0.000 0.454 46 A N 1.707 124.413 122.820 -0.191 0.000 1.897 46 A HA -0.023 4.297 4.320 0.001 0.000 0.215 46 A C 2.346 179.831 177.584 -0.165 0.000 1.181 46 A CA 0.984 52.726 52.037 -0.492 0.000 0.620 46 A CB -0.384 18.063 19.000 -0.921 0.000 0.821 46 A HN 0.381 nan 8.150 nan 0.000 0.443 47 R N -0.663 119.764 120.500 -0.122 0.000 2.152 47 R HA -0.070 4.270 4.340 0.001 0.000 0.232 47 R C 1.888 178.189 176.300 0.002 0.000 1.117 47 R CA 1.649 57.717 56.100 -0.052 0.000 0.981 47 R CB -0.569 29.679 30.300 -0.088 0.000 0.870 47 R HN 0.496 nan 8.270 nan 0.000 0.451 48 T N 0.780 115.340 114.554 0.011 0.000 2.995 48 T HA 0.038 4.389 4.350 0.001 0.000 0.269 48 T C 0.980 175.724 174.700 0.074 0.000 1.091 48 T CA 0.807 62.934 62.100 0.044 0.000 1.128 48 T CB 0.160 69.066 68.868 0.064 0.000 0.891 48 T HN 0.114 nan 8.240 nan 0.000 0.492 49 L N 2.069 123.367 121.223 0.125 0.000 2.892 49 L HA 0.247 4.588 4.340 0.001 0.000 0.251 49 L C -1.627 175.370 176.870 0.212 0.000 1.339 49 L CA -1.343 53.591 54.840 0.157 0.000 0.900 49 L CB 1.083 43.260 42.059 0.196 0.000 1.246 49 L HN -0.035 nan 8.230 nan 0.000 0.524 50 P HA -0.141 nan 4.420 nan 0.000 0.234 50 P C 0.729 178.050 177.300 0.036 0.000 1.167 50 P CA 0.926 64.102 63.100 0.125 0.000 0.763 50 P CB 0.419 32.169 31.700 0.083 0.000 0.835 51 D N 0.096 120.497 120.400 0.001 0.000 2.347 51 D HA 0.081 4.722 4.640 0.001 0.000 0.213 51 D C 0.656 176.887 176.300 -0.115 0.000 0.985 51 D CA -0.044 53.926 54.000 -0.050 0.000 0.879 51 D CB -0.281 40.491 40.800 -0.047 0.000 0.919 51 D HN 0.011 nan 8.370 nan 0.000 0.526 52 A N 0.388 123.106 122.820 -0.171 0.000 2.498 52 A HA 0.032 4.353 4.320 0.001 0.000 0.239 52 A C 1.092 178.490 177.584 -0.311 0.000 1.068 52 A CA 0.061 51.913 52.037 -0.309 0.000 0.766 52 A CB 0.281 18.929 19.000 -0.586 0.000 1.003 52 A HN 0.217 nan 8.150 nan 0.000 0.497 53 D N 0.457 120.708 120.400 -0.248 0.000 2.277 53 D HA 0.262 4.903 4.640 0.001 0.000 0.208 53 D C 0.694 176.986 176.300 -0.013 0.000 0.962 53 D CA 1.804 55.715 54.000 -0.148 0.000 0.865 53 D CB 0.204 40.806 40.800 -0.331 0.000 0.939 53 D HN 0.762 nan 8.370 nan 0.000 0.510 54 A N -0.399 122.327 122.820 -0.157 0.000 2.566 54 A HA 0.565 4.886 4.320 0.001 0.000 0.290 54 A C -1.879 175.429 177.584 -0.459 0.000 1.071 54 A CA -0.730 51.187 52.037 -0.200 0.000 0.658 54 A CB 0.615 19.640 19.000 0.041 0.000 1.285 54 A HN -0.016 nan 8.150 nan 0.000 0.427 55 F N 0.177 120.122 119.950 -0.009 0.000 2.520 55 F HA 0.620 5.147 4.527 0.001 0.000 0.322 55 F C 0.921 176.680 175.800 -0.068 0.000 1.103 55 F CA -0.253 57.731 58.000 -0.027 0.000 0.926 55 F CB 2.734 41.722 39.000 -0.020 0.000 1.154 55 F HN 0.804 nan 8.300 nan 0.000 0.453 56 G N 1.828 110.703 108.800 0.126 0.000 2.379 56 G HA2 0.617 4.578 3.960 0.001 0.000 0.327 56 G HA3 0.617 4.578 3.960 0.001 0.000 0.327 56 G C -1.195 173.728 174.900 0.038 0.000 1.145 56 G CA -0.715 44.396 45.100 0.019 0.000 0.905 56 G HN 0.678 nan 8.290 nan 0.000 0.466 57 V N -0.530 119.373 119.914 -0.018 0.000 3.102 57 V HA 0.866 4.987 4.120 0.001 0.000 0.312 57 V C 0.835 176.916 176.094 -0.021 0.000 1.135 57 V CA -0.235 62.057 62.300 -0.013 0.000 1.022 57 V CB 1.456 33.238 31.823 -0.069 0.000 1.056 57 V HN 0.978 nan 8.190 nan 0.000 0.436 58 A N 1.167 123.991 122.820 0.008 0.000 1.984 58 A HA 0.466 4.786 4.320 0.001 0.000 0.214 58 A C 1.241 178.846 177.584 0.035 0.000 1.173 58 A CA 0.696 52.752 52.037 0.032 0.000 0.673 58 A CB -0.114 18.919 19.000 0.055 0.000 0.830 58 A HN 0.848 nan 8.150 nan 0.000 0.453 59 R N -2.312 118.180 120.500 -0.013 0.000 2.808 59 R HA 0.506 4.846 4.340 0.001 0.000 0.272 59 R C 0.458 176.672 176.300 -0.143 0.000 0.995 59 R CA -0.666 55.405 56.100 -0.049 0.000 0.917 59 R CB 1.228 31.581 30.300 0.089 0.000 1.217 59 R HN 0.125 nan 8.270 nan 0.000 0.471 60 L N 1.781 122.880 121.223 -0.206 0.000 2.056 60 L HA -0.028 4.312 4.340 0.001 0.000 0.207 60 L C 1.059 177.876 176.870 -0.089 0.000 1.078 60 L CA 1.938 56.680 54.840 -0.164 0.000 0.749 60 L CB -0.305 41.683 42.059 -0.119 0.000 0.901 60 L HN 0.746 nan 8.230 nan 0.000 0.433 61 E N 0.195 120.376 120.200 -0.032 0.000 2.108 61 E HA -0.293 4.057 4.350 0.001 0.000 0.203 61 E C 2.039 178.628 176.600 -0.018 0.000 1.022 61 E CA 2.231 58.632 56.400 0.002 0.000 0.823 61 E CB -0.372 29.347 29.700 0.031 0.000 0.744 61 E HN 0.644 nan 8.360 nan 0.000 0.456 62 E N 0.155 120.329 120.200 -0.044 0.000 2.106 62 E HA -0.134 4.217 4.350 0.001 0.000 0.192 62 E C 2.133 178.671 176.600 -0.103 0.000 0.984 62 E CA 0.879 57.248 56.400 -0.051 0.000 0.806 62 E CB -0.183 29.493 29.700 -0.041 0.000 0.750 62 E HN 0.321 nan 8.360 nan 0.000 0.458 63 A N 1.233 123.924 122.820 -0.214 0.000 1.930 63 A HA -0.125 4.195 4.320 0.001 0.000 0.217 63 A C 2.180 179.672 177.584 -0.152 0.000 1.175 63 A CA 0.956 52.740 52.037 -0.421 0.000 0.627 63 A CB -0.518 17.846 19.000 -1.059 0.000 0.815 63 A HN 0.119 nan 8.150 nan 0.000 0.443 64 L N -1.155 120.075 121.223 0.012 0.000 2.156 64 L HA -0.117 4.223 4.340 0.001 0.000 0.208 64 L C 2.773 179.701 176.870 0.098 0.000 1.095 64 L CA 0.975 55.923 54.840 0.181 0.000 0.770 64 L CB -0.367 41.783 42.059 0.152 0.000 0.914 64 L HN 0.338 nan 8.230 nan 0.000 0.439 65 R N -0.146 120.376 120.500 0.036 0.000 2.092 65 R HA -0.094 4.247 4.340 0.001 0.000 0.231 65 R C 2.261 178.567 176.300 0.010 0.000 1.119 65 R CA 0.999 57.111 56.100 0.020 0.000 0.970 65 R CB -0.302 30.000 30.300 0.002 0.000 0.864 65 R HN 0.319 nan 8.270 nan 0.000 0.440 66 L N 0.306 121.527 121.223 -0.003 0.000 2.017 66 L HA -0.178 4.163 4.340 0.001 0.000 0.208 66 L C 2.635 179.530 176.870 0.042 0.000 1.073 66 L CA 1.244 56.070 54.840 -0.023 0.000 0.745 66 L CB -0.389 41.637 42.059 -0.055 0.000 0.894 66 L HN 0.128 nan 8.230 nan 0.000 0.432 67 R N 0.133 120.708 120.500 0.125 0.000 2.081 67 R HA -0.112 4.229 4.340 0.001 0.000 0.235 67 R C 2.268 178.616 176.300 0.079 0.000 1.131 67 R CA 1.490 57.675 56.100 0.141 0.000 0.960 67 R CB -0.898 29.529 30.300 0.212 0.000 0.856 67 R HN 0.365 nan 8.270 nan 0.000 0.436 68 A N 0.372 123.232 122.820 0.066 0.000 1.972 68 A HA -0.062 4.259 4.320 0.001 0.000 0.219 68 A C 2.204 179.802 177.584 0.023 0.000 1.169 68 A CA 1.748 53.809 52.037 0.040 0.000 0.635 68 A CB -0.721 18.300 19.000 0.036 0.000 0.810 68 A HN 0.429 nan 8.150 nan 0.000 0.446 69 G N -2.363 106.445 108.800 0.013 0.000 2.920 69 G HA2 0.364 4.325 3.960 0.001 0.000 0.208 69 G HA3 0.364 4.325 3.960 0.001 0.000 0.208 69 G C 1.085 175.983 174.900 -0.003 0.000 1.159 69 G CA 0.592 45.689 45.100 -0.005 0.000 0.784 69 G HN 1.639 nan 8.290 nan 0.000 0.535 70 G N -0.236 108.574 108.800 0.016 0.000 2.179 70 G HA2 -0.228 3.732 3.960 0.001 0.000 0.220 70 G HA3 -0.228 3.732 3.960 0.001 0.000 0.220 70 G C 0.320 175.242 174.900 0.037 0.000 0.990 70 G CA -0.140 44.975 45.100 0.024 0.000 0.646 70 G HN 0.253 nan 8.290 nan 0.000 0.517 71 I N 2.658 123.248 120.570 0.035 0.000 2.618 71 I HA 0.226 4.396 4.170 0.001 0.000 0.284 71 I C 1.791 177.984 176.117 0.126 0.000 1.146 71 I CA 1.553 62.893 61.300 0.068 0.000 1.425 71 I CB 0.538 38.541 38.000 0.005 0.000 1.383 71 I HN 0.345 nan 8.210 nan 0.000 0.562 72 T N 2.020 116.662 114.554 0.147 0.000 2.959 72 T HA 0.110 4.460 4.350 0.001 0.000 0.254 72 T C 0.816 175.614 174.700 0.164 0.000 1.003 72 T CA -0.334 61.849 62.100 0.139 0.000 0.950 72 T CB 0.396 69.320 68.868 0.092 0.000 1.090 72 T HN 0.447 nan 8.240 nan 0.000 0.503 73 K N 2.600 123.124 120.400 0.207 0.000 2.380 73 K HA 0.248 4.569 4.320 0.001 0.000 0.267 73 K C -2.622 174.088 176.600 0.184 0.000 0.990 73 K CA -1.699 54.695 56.287 0.179 0.000 0.946 73 K CB 0.100 32.726 32.500 0.210 0.000 0.937 73 K HN 0.027 nan 8.250 nan 0.000 0.491 74 P HA -0.050 nan 4.420 nan 0.000 0.265 74 P C -1.324 175.976 177.300 -0.001 0.000 1.193 74 P CA -0.097 62.993 63.100 -0.016 0.000 0.765 74 P CB 0.640 32.195 31.700 -0.240 0.000 0.823 75 V N 4.714 124.661 119.914 0.056 0.000 2.448 75 V HA 0.289 4.409 4.120 0.001 0.000 0.295 75 V C -0.105 175.946 176.094 -0.072 0.000 1.025 75 V CA -0.714 61.593 62.300 0.012 0.000 0.859 75 V CB 1.600 33.373 31.823 -0.082 0.000 0.988 75 V HN 0.339 nan 8.190 nan 0.000 0.431 76 L N 6.542 127.701 121.223 -0.106 0.000 2.264 76 L HA 0.522 4.863 4.340 0.001 0.000 0.289 76 L C -0.326 176.485 176.870 -0.098 0.000 1.044 76 L CA 0.081 54.859 54.840 -0.103 0.000 0.807 76 L CB 0.980 42.890 42.059 -0.248 0.000 1.192 76 L HN 0.563 nan 8.230 nan 0.000 0.425 77 L N 7.150 128.348 121.223 -0.043 0.000 2.356 77 L HA 0.153 4.494 4.340 0.001 0.000 0.282 77 L C 1.252 178.110 176.870 -0.020 0.000 1.132 77 L CA -0.227 54.581 54.840 -0.054 0.000 0.923 77 L CB 0.250 42.301 42.059 -0.014 0.000 1.278 77 L HN 0.789 nan 8.230 nan 0.000 0.436 78 L N 1.518 122.709 121.223 -0.053 0.000 2.189 78 L HA -0.193 4.148 4.340 0.001 0.000 0.214 78 L C 1.651 178.529 176.870 0.014 0.000 1.097 78 L CA 1.511 56.318 54.840 -0.056 0.000 0.764 78 L CB -0.210 41.796 42.059 -0.088 0.000 0.900 78 L HN 0.663 nan 8.230 nan 0.000 0.436 79 E N -0.737 119.501 120.200 0.064 0.000 2.498 79 E HA 0.240 4.590 4.350 0.001 0.000 0.203 79 E C 1.018 177.781 176.600 0.272 0.000 1.013 79 E CA 0.300 56.812 56.400 0.187 0.000 0.927 79 E CB 0.612 30.488 29.700 0.293 0.000 1.012 79 E HN 0.433 nan 8.360 nan 0.000 0.482 80 G N 1.989 110.862 108.800 0.121 0.000 2.642 80 G HA2 -0.290 3.670 3.960 0.001 0.000 0.231 80 G HA3 -0.290 3.670 3.960 0.001 0.000 0.231 80 G C -0.305 174.558 174.900 -0.062 0.000 1.338 80 G CA -0.188 44.955 45.100 0.072 0.000 0.883 80 G HN 0.269 nan 8.290 nan 0.000 0.570 81 F N -1.947 117.940 119.950 -0.105 0.000 2.458 81 F HA 0.809 5.337 4.527 0.001 0.000 0.330 81 F C 0.672 176.475 175.800 0.005 0.000 1.082 81 F CA -1.450 56.420 58.000 -0.216 0.000 0.995 81 F CB 0.972 39.922 39.000 -0.082 0.000 1.170 81 F HN 0.197 nan 8.300 nan 0.000 0.478 82 F N -0.518 119.528 119.950 0.160 0.000 2.746 82 F HA 0.233 4.761 4.527 0.001 0.000 0.297 82 F C 0.341 176.213 175.800 0.119 0.000 1.113 82 F CA -0.277 57.767 58.000 0.073 0.000 1.367 82 F CB -0.167 38.876 39.000 0.072 0.000 1.111 82 F HN 0.477 nan 8.300 nan 0.000 0.590 83 D N -0.441 120.185 120.400 0.377 0.000 2.863 83 D HA 0.444 5.085 4.640 0.001 0.000 0.245 83 D C 0.859 177.356 176.300 0.330 0.000 1.211 83 D CA -0.076 54.094 54.000 0.284 0.000 0.888 83 D CB 2.316 43.233 40.800 0.195 0.000 1.483 83 D HN 0.003 nan 8.370 nan 0.000 0.533 84 A N 4.084 127.068 122.820 0.273 0.000 2.024 84 A HA -0.167 4.153 4.320 0.001 0.000 0.220 84 A C 1.775 179.389 177.584 0.051 0.000 1.164 84 A CA 1.139 53.304 52.037 0.212 0.000 0.643 84 A CB -0.181 18.914 19.000 0.159 0.000 0.806 84 A HN 0.631 nan 8.150 nan 0.000 0.451 85 R N -0.282 120.252 120.500 0.056 0.000 2.339 85 R HA -0.021 4.320 4.340 0.001 0.000 0.199 85 R C 0.310 176.598 176.300 -0.020 0.000 1.018 85 R CA 0.835 56.941 56.100 0.011 0.000 1.036 85 R CB -0.045 30.272 30.300 0.028 0.000 0.899 85 R HN 0.440 nan 8.270 nan 0.000 0.473 86 D N 0.293 120.676 120.400 -0.027 0.000 2.350 86 D HA 0.015 4.655 4.640 0.001 0.000 0.213 86 D C 1.675 177.869 176.300 -0.177 0.000 1.031 86 D CA 0.296 54.261 54.000 -0.059 0.000 0.861 86 D CB 0.312 41.117 40.800 0.009 0.000 0.926 86 D HN 0.194 nan 8.370 nan 0.000 0.520 87 L N 0.937 121.986 121.223 -0.289 0.000 2.083 87 L HA -0.117 4.223 4.340 0.001 0.000 0.209 87 L C -0.485 176.249 176.870 -0.227 0.000 1.083 87 L CA 1.355 55.972 54.840 -0.372 0.000 0.752 87 L CB -1.325 40.498 42.059 -0.394 0.000 0.899 87 L HN 0.011 nan 8.230 nan 0.000 0.433 88 P HA -0.110 nan 4.420 nan 0.000 0.217 88 P C 1.641 178.847 177.300 -0.158 0.000 1.150 88 P CA 1.270 64.287 63.100 -0.139 0.000 0.832 88 P CB 0.030 31.670 31.700 -0.100 0.000 0.787 89 T N -0.490 113.978 114.554 -0.143 0.000 2.708 89 T HA -0.093 4.257 4.350 0.001 0.000 0.266 89 T C 1.724 176.277 174.700 -0.245 0.000 1.037 89 T CA 1.095 63.101 62.100 -0.157 0.000 1.146 89 T CB -0.884 67.937 68.868 -0.078 0.000 0.865 89 T HN 0.039 nan 8.240 nan 0.000 0.435 90 I N 0.934 121.400 120.570 -0.174 0.000 2.286 90 I HA -0.180 3.990 4.170 0.001 0.000 0.248 90 I C 2.749 178.721 176.117 -0.242 0.000 1.115 90 I CA 1.020 62.238 61.300 -0.137 0.000 1.392 90 I CB -0.379 37.598 38.000 -0.039 0.000 1.065 90 I HN 0.259 nan 8.210 nan 0.000 0.418 91 S N 0.739 116.299 115.700 -0.234 0.000 2.355 91 S HA -0.141 4.329 4.470 0.001 0.000 0.222 91 S C 2.205 176.565 174.600 -0.401 0.000 1.031 91 S CA 1.374 59.433 58.200 -0.236 0.000 0.993 91 S CB -0.176 62.916 63.200 -0.181 0.000 0.859 91 S HN 0.451 nan 8.310 nan 0.000 0.453 92 A N 0.670 123.250 122.820 -0.400 0.000 2.015 92 A HA 0.032 4.352 4.320 0.001 0.000 0.219 92 A C 2.134 179.314 177.584 -0.673 0.000 1.163 92 A CA 1.051 52.804 52.037 -0.472 0.000 0.646 92 A CB -0.411 18.422 19.000 -0.279 0.000 0.806 92 A HN 0.586 nan 8.150 nan 0.000 0.448 93 Q N -0.998 118.382 119.800 -0.700 0.000 2.425 93 Q HA 0.015 4.355 4.340 0.001 0.000 0.204 93 Q C -0.648 174.979 176.000 -0.622 0.000 0.933 93 Q CA 0.483 55.795 55.803 -0.818 0.000 0.939 93 Q CB -0.192 27.581 28.738 -1.609 0.000 1.044 93 Q HN 0.892 nan 8.270 nan 0.000 0.513 94 H N -1.217 117.680 119.070 -0.289 0.000 2.756 94 H HA -0.159 4.398 4.556 0.001 0.000 0.315 94 H C -0.896 174.550 175.328 0.196 0.000 1.210 94 H CA 0.208 56.245 56.048 -0.018 0.000 1.150 94 H CB -2.453 27.333 29.762 0.040 0.000 1.463 94 H HN 0.200 nan 8.280 nan 0.000 0.427 95 F N 0.453 120.504 119.950 0.169 0.000 2.394 95 F HA 0.279 4.807 4.527 0.001 0.000 0.340 95 F C 1.426 177.404 175.800 0.297 0.000 1.105 95 F CA -0.832 57.272 58.000 0.173 0.000 1.124 95 F CB 0.836 39.882 39.000 0.077 0.000 1.145 95 F HN 0.269 nan 8.300 nan 0.000 0.505 96 H N 0.862 120.105 119.070 0.288 0.000 2.487 96 H HA 0.271 4.827 4.556 0.001 0.000 0.333 96 H C -0.234 175.226 175.328 0.219 0.000 1.114 96 H CA -0.591 55.604 56.048 0.245 0.000 1.310 96 H CB 2.090 32.011 29.762 0.265 0.000 1.462 96 H HN 0.442 nan 8.280 nan 0.000 0.516 97 T N 1.083 115.854 114.554 0.362 0.000 2.900 97 T HA 0.552 4.903 4.350 0.001 0.000 0.295 97 T C -0.649 174.239 174.700 0.313 0.000 1.044 97 T CA -0.609 61.672 62.100 0.300 0.000 0.995 97 T CB 1.081 70.153 68.868 0.339 0.000 1.072 97 T HN 0.723 nan 8.240 nan 0.000 0.473 98 A N 2.431 125.396 122.820 0.243 0.000 2.304 98 A HA 0.742 5.063 4.320 0.001 0.000 0.271 98 A C -0.685 177.022 177.584 0.204 0.000 1.091 98 A CA -0.441 51.742 52.037 0.242 0.000 0.812 98 A CB 0.614 19.724 19.000 0.184 0.000 1.056 98 A HN 0.770 nan 8.150 nan 0.000 0.489 99 V N 3.042 123.073 119.914 0.196 0.000 2.488 99 V HA 0.325 4.445 4.120 0.001 0.000 0.293 99 V C 0.324 176.493 176.094 0.125 0.000 1.027 99 V CA -0.314 62.064 62.300 0.129 0.000 0.862 99 V CB 1.070 33.048 31.823 0.259 0.000 1.008 99 V HN 1.117 nan 8.190 nan 0.000 0.428 100 H N 2.366 121.465 119.070 0.048 0.000 3.241 100 H HA 0.301 4.857 4.556 0.001 0.000 0.260 100 H C 0.092 175.368 175.328 -0.085 0.000 1.084 100 H CA -0.029 55.967 56.048 -0.085 0.000 1.203 100 H CB 1.042 30.766 29.762 -0.063 0.000 1.524 100 H HN 0.641 nan 8.280 nan 0.000 0.521 101 N N 0.520 119.168 118.700 -0.087 0.000 2.509 101 N HA 0.017 4.757 4.740 0.001 0.000 0.280 101 N C 0.625 176.291 175.510 0.259 0.000 1.306 101 N CA -0.587 52.529 53.050 0.109 0.000 0.782 101 N CB 1.874 40.387 38.487 0.044 0.000 1.493 101 N HN -0.059 nan 8.380 nan 0.000 0.498 102 E N 0.200 120.541 120.200 0.235 0.000 2.118 102 E HA -0.205 4.146 4.350 0.001 0.000 0.195 102 E C 0.802 177.421 176.600 0.032 0.000 0.992 102 E CA 1.728 58.210 56.400 0.137 0.000 0.804 102 E CB -0.091 29.671 29.700 0.103 0.000 0.741 102 E HN 0.677 nan 8.360 nan 0.000 0.458 103 E N 0.333 120.541 120.200 0.014 0.000 2.058 103 E HA -0.226 4.124 4.350 0.001 0.000 0.194 103 E C 2.221 178.809 176.600 -0.020 0.000 0.997 103 E CA 1.842 58.239 56.400 -0.005 0.000 0.801 103 E CB -0.201 29.489 29.700 -0.016 0.000 0.746 103 E HN 0.426 nan 8.360 nan 0.000 0.450 104 Q N -0.250 119.468 119.800 -0.136 0.000 2.046 104 Q HA -0.131 4.210 4.340 0.001 0.000 0.200 104 Q C 2.236 178.281 176.000 0.075 0.000 0.975 104 Q CA 1.044 56.730 55.803 -0.195 0.000 0.836 104 Q CB -0.208 28.180 28.738 -0.584 0.000 0.896 104 Q HN 0.196 nan 8.270 nan 0.000 0.428 105 L N 0.915 122.121 121.223 -0.029 0.000 1.994 105 L HA -0.122 4.219 4.340 0.001 0.000 0.208 105 L C 2.201 179.017 176.870 -0.089 0.000 1.071 105 L CA 2.245 56.996 54.840 -0.148 0.000 0.745 105 L CB -1.017 40.718 42.059 -0.539 0.000 0.892 105 L HN 0.138 nan 8.230 nan 0.000 0.431 106 A N -0.324 122.458 122.820 -0.064 0.000 1.908 106 A HA -0.149 4.172 4.320 0.001 0.000 0.218 106 A C 2.488 180.081 177.584 0.015 0.000 1.181 106 A CA 2.129 54.148 52.037 -0.030 0.000 0.627 106 A CB -1.323 17.667 19.000 -0.016 0.000 0.818 106 A HN 0.639 nan 8.150 nan 0.000 0.445 107 A N -0.282 122.581 122.820 0.071 0.000 1.903 107 A HA -0.184 4.137 4.320 0.001 0.000 0.219 107 A C 2.193 179.817 177.584 0.067 0.000 1.191 107 A CA 1.833 53.939 52.037 0.115 0.000 0.638 107 A CB -0.712 18.448 19.000 0.266 0.000 0.823 107 A HN 0.501 nan 8.150 nan 0.000 0.451 108 L N -0.898 120.373 121.223 0.080 0.000 2.093 108 L HA -0.180 4.160 4.340 0.001 0.000 0.208 108 L C 2.606 179.459 176.870 -0.027 0.000 1.085 108 L CA 1.491 56.341 54.840 0.017 0.000 0.755 108 L CB -0.473 41.609 42.059 0.038 0.000 0.904 108 L HN 0.487 nan 8.230 nan 0.000 0.435 109 E N 0.039 120.218 120.200 -0.035 0.000 2.110 109 E HA -0.223 4.127 4.350 0.001 0.000 0.193 109 E C 1.574 178.152 176.600 -0.036 0.000 0.988 109 E CA 1.451 57.822 56.400 -0.048 0.000 0.804 109 E CB 0.039 29.704 29.700 -0.059 0.000 0.745 109 E HN 0.635 nan 8.360 nan 0.000 0.458 110 E N 0.409 120.595 120.200 -0.023 0.000 2.498 110 E HA 0.287 4.638 4.350 0.001 0.000 0.203 110 E C 0.431 177.017 176.600 -0.022 0.000 1.013 110 E CA -0.170 56.218 56.400 -0.020 0.000 0.927 110 E CB 0.519 30.212 29.700 -0.012 0.000 1.012 110 E HN 0.010 nan 8.360 nan 0.000 0.482 111 A N 1.922 124.725 122.820 -0.028 0.000 2.346 111 A HA 0.374 4.694 4.320 0.001 0.000 0.252 111 A C 0.313 177.871 177.584 -0.044 0.000 1.089 111 A CA -0.045 51.968 52.037 -0.040 0.000 0.797 111 A CB 0.499 19.463 19.000 -0.061 0.000 1.047 111 A HN 0.275 nan 8.150 nan 0.000 0.494 112 S N 0.456 116.127 115.700 -0.047 0.000 2.733 112 S HA 0.649 5.120 4.470 0.001 0.000 0.307 112 S C -0.781 173.786 174.600 -0.055 0.000 1.127 112 S CA -0.560 57.612 58.200 -0.046 0.000 1.097 112 S CB 0.103 63.282 63.200 -0.036 0.000 1.003 112 S HN 0.545 nan 8.310 nan 0.000 0.477 113 L N 2.219 123.405 121.223 -0.061 0.000 2.342 113 L HA 0.550 4.890 4.340 0.001 0.000 0.271 113 L C 0.275 177.109 176.870 -0.060 0.000 1.008 113 L CA -0.996 53.802 54.840 -0.071 0.000 0.818 113 L CB 1.380 43.387 42.059 -0.088 0.000 1.296 113 L HN 0.496 nan 8.230 nan 0.000 0.427 114 D N 0.692 121.055 120.400 -0.062 0.000 2.347 114 D HA 0.006 4.647 4.640 0.001 0.000 0.215 114 D C -0.093 176.181 176.300 -0.042 0.000 0.976 114 D CA 1.046 55.017 54.000 -0.049 0.000 0.884 114 D CB 0.471 41.242 40.800 -0.049 0.000 0.915 114 D HN 0.544 nan 8.370 nan 0.000 0.526 115 E N 0.021 120.189 120.200 -0.053 0.000 2.352 115 E HA 0.248 4.599 4.350 0.001 0.000 0.280 115 E C -2.607 173.964 176.600 -0.049 0.000 0.930 115 E CA -1.711 54.667 56.400 -0.037 0.000 0.765 115 E CB 3.201 32.888 29.700 -0.021 0.000 1.219 115 E HN -0.112 nan 8.360 nan 0.000 0.434 116 P HA 0.144 nan 4.420 nan 0.000 0.274 116 P C -0.628 176.646 177.300 -0.044 0.000 1.246 116 P CA -0.383 62.687 63.100 -0.050 0.000 0.795 116 P CB 0.958 32.628 31.700 -0.050 0.000 1.006 117 V N 1.261 121.141 119.914 -0.055 0.000 2.448 117 V HA 0.200 4.320 4.120 0.001 0.000 0.295 117 V C 0.837 176.890 176.094 -0.067 0.000 1.025 117 V CA -0.511 61.764 62.300 -0.043 0.000 0.859 117 V CB 1.445 33.240 31.823 -0.046 0.000 0.988 117 V HN 0.737 nan 8.190 nan 0.000 0.431 118 T N 5.386 119.866 114.554 -0.124 0.000 2.867 118 T HA 0.340 4.690 4.350 0.001 0.000 0.297 118 T C -0.448 174.183 174.700 -0.115 0.000 0.989 118 T CA 0.175 62.131 62.100 -0.240 0.000 1.159 118 T CB 0.294 68.837 68.868 -0.542 0.000 0.928 118 T HN 0.396 nan 8.240 nan 0.000 0.538 119 V N 5.648 125.487 119.914 -0.125 0.000 2.769 119 V HA 0.592 4.713 4.120 0.001 0.000 0.312 119 V C -0.955 175.098 176.094 -0.069 0.000 1.061 119 V CA -1.020 61.288 62.300 0.014 0.000 0.931 119 V CB 2.097 33.941 31.823 0.035 0.000 1.010 119 V HN 1.000 nan 8.190 nan 0.000 0.433 120 W N 4.221 125.546 121.300 0.042 0.000 2.391 120 W HA 0.614 5.275 4.660 0.001 0.000 0.312 120 W C 0.276 176.853 176.519 0.096 0.000 1.003 120 W CA -0.353 57.021 57.345 0.048 0.000 1.375 120 W CB 1.554 31.023 29.460 0.015 0.000 1.253 120 W HN 0.481 nan 8.180 nan 0.000 0.416 124 D N 1.925 122.256 120.400 -0.115 0.000 2.365 124 D HA 0.379 5.019 4.640 0.001 0.000 0.237 124 D C 0.752 177.011 176.300 -0.069 0.000 1.190 124 D CA 0.550 54.506 54.000 -0.073 0.000 0.867 124 D CB 1.147 41.935 40.800 -0.020 0.000 1.050 124 D HN 0.635 nan 8.370 nan 0.000 0.491 125 T N 0.469 114.981 114.554 -0.070 0.000 3.145 125 T HA 0.445 4.796 4.350 0.001 0.000 0.255 125 T C 1.211 175.845 174.700 -0.111 0.000 1.039 125 T CA 0.103 62.181 62.100 -0.037 0.000 0.928 125 T CB 0.471 69.371 68.868 0.052 0.000 1.029 125 T HN 0.464 nan 8.240 nan 0.000 0.554 126 G N 1.098 109.716 108.800 -0.304 0.000 2.977 126 G HA2 -0.150 3.811 3.960 0.001 0.000 0.211 126 G HA3 -0.150 3.811 3.960 0.001 0.000 0.211 126 G C 0.644 175.160 174.900 -0.639 0.000 0.994 126 G CA 0.187 44.994 45.100 -0.488 0.000 0.795 126 G HN 0.372 nan 8.290 nan 0.000 0.518 127 M N 0.706 120.058 119.600 -0.414 0.000 2.349 127 M HA 0.211 4.692 4.480 0.001 0.000 0.266 127 M C 1.029 177.212 176.300 -0.195 0.000 1.076 127 M CA 1.255 56.408 55.300 -0.244 0.000 1.126 127 M CB -0.240 32.293 32.600 -0.111 0.000 1.392 127 M HN 0.324 nan 8.290 nan 0.000 0.440 128 H N 0.127 119.178 119.070 -0.032 0.000 2.692 128 H HA -0.201 4.355 4.556 0.001 0.000 0.316 128 H C 0.781 176.079 175.328 -0.051 0.000 1.176 128 H CA 1.215 57.238 56.048 -0.042 0.000 1.142 128 H CB -1.616 28.124 29.762 -0.035 0.000 1.475 128 H HN 0.574 nan 8.280 nan 0.000 0.423 129 R N -0.259 120.248 120.500 0.012 0.000 2.006 129 R HA 0.352 4.693 4.340 0.001 0.000 0.181 129 R C 0.346 176.596 176.300 -0.082 0.000 1.617 129 R CA 0.086 56.167 56.100 -0.031 0.000 1.276 129 R CB 0.772 31.047 30.300 -0.043 0.000 1.107 129 R HN 0.154 nan 8.270 nan 0.000 0.474 130 L N -0.016 121.131 121.223 -0.126 0.000 2.319 130 L HA 0.600 4.941 4.340 0.001 0.000 0.267 130 L C -0.361 176.425 176.870 -0.138 0.000 1.011 130 L CA -0.427 54.273 54.840 -0.232 0.000 0.818 130 L CB 2.158 43.973 42.059 -0.406 0.000 1.316 130 L HN 0.748 nan 8.230 nan 0.000 0.432 131 G N 0.344 109.078 108.800 -0.109 0.000 2.484 131 G HA2 0.011 3.972 3.960 0.001 0.000 0.685 131 G HA3 0.011 3.972 3.960 0.001 0.000 0.685 131 G C -1.372 173.453 174.900 -0.126 0.000 1.294 131 G CA -1.082 43.972 45.100 -0.077 0.000 0.879 131 G HN 0.368 nan 8.290 nan 0.000 0.646 132 V N 1.957 121.719 119.914 -0.255 0.000 2.555 132 V HA 0.385 4.505 4.120 0.001 0.000 0.286 132 V C 1.358 177.325 176.094 -0.210 0.000 1.044 132 V CA -0.219 61.884 62.300 -0.329 0.000 1.026 132 V CB 1.051 32.493 31.823 -0.635 0.000 0.981 132 V HN 0.756 nan 8.190 nan 0.000 0.480 133 R N 4.814 125.240 120.500 -0.122 0.000 2.641 133 R HA 0.175 4.516 4.340 0.001 0.000 0.269 133 R C -1.548 174.703 176.300 -0.081 0.000 1.074 133 R CA -1.307 54.755 56.100 -0.063 0.000 1.133 133 R CB 0.118 30.407 30.300 -0.018 0.000 1.029 133 R HN 0.441 nan 8.270 nan 0.000 0.488 134 P HA -0.259 nan 4.420 nan 0.000 0.217 134 P C 0.302 177.607 177.300 0.009 0.000 1.158 134 P CA 1.568 64.646 63.100 -0.038 0.000 0.887 134 P CB 0.166 31.869 31.700 0.006 0.000 0.792 135 E N -1.263 118.948 120.200 0.019 0.000 2.338 135 E HA -0.187 4.164 4.350 0.001 0.000 0.197 135 E C 1.617 178.249 176.600 0.053 0.000 1.007 135 E CA 0.837 57.260 56.400 0.037 0.000 0.849 135 E CB -0.222 29.495 29.700 0.028 0.000 0.774 135 E HN 0.356 nan 8.360 nan 0.000 0.506 136 Q N -0.846 118.979 119.800 0.041 0.000 2.317 136 Q HA 0.213 4.553 4.340 0.001 0.000 0.220 136 Q C 1.653 177.724 176.000 0.119 0.000 0.873 136 Q CA 0.502 56.353 55.803 0.080 0.000 0.936 136 Q CB 0.507 29.283 28.738 0.063 0.000 1.105 136 Q HN 0.200 nan 8.270 nan 0.000 0.520 137 A N 0.706 123.554 122.820 0.048 0.000 1.908 137 A HA -0.243 4.077 4.320 0.001 0.000 0.218 137 A C 1.989 179.812 177.584 0.398 0.000 1.181 137 A CA 1.832 53.897 52.037 0.046 0.000 0.627 137 A CB -0.283 18.520 19.000 -0.328 0.000 0.818 137 A HN 0.271 nan 8.150 nan 0.000 0.445 138 E N 0.005 120.437 120.200 0.387 0.000 2.047 138 E HA -0.030 4.321 4.350 0.001 0.000 0.191 138 E C 2.108 178.932 176.600 0.373 0.000 0.987 138 E CA 1.514 58.149 56.400 0.392 0.000 0.799 138 E CB -0.445 29.387 29.700 0.221 0.000 0.752 138 E HN 0.479 nan 8.360 nan 0.000 0.449 139 A N -0.291 122.700 122.820 0.284 0.000 1.898 139 A HA -0.123 4.197 4.320 0.001 0.000 0.216 139 A C 2.184 179.947 177.584 0.300 0.000 1.181 139 A CA 1.299 53.479 52.037 0.238 0.000 0.620 139 A CB -0.908 18.188 19.000 0.161 0.000 0.819 139 A HN 0.415 nan 8.150 nan 0.000 0.442 140 F N -0.849 119.205 119.950 0.173 0.000 2.102 140 F HA -0.195 4.333 4.527 0.001 0.000 0.298 140 F C 2.167 178.073 175.800 0.176 0.000 1.105 140 F CA 1.937 60.023 58.000 0.143 0.000 1.239 140 F CB -0.598 38.471 39.000 0.115 0.000 0.991 140 F HN 0.404 nan 8.300 nan 0.000 0.474 141 Y N -0.189 120.402 120.300 0.486 0.000 2.165 141 Y HA -0.317 4.234 4.550 0.001 0.000 0.286 141 Y C 2.925 178.932 175.900 0.179 0.000 1.155 141 Y CA 2.393 60.714 58.100 0.368 0.000 1.164 141 Y CB -0.979 37.747 38.460 0.443 0.000 0.978 141 Y HN 0.243 nan 8.280 nan 0.000 0.513 142 H N 0.809 119.976 119.070 0.161 0.000 2.387 142 H HA -0.106 4.450 4.556 0.001 0.000 0.299 142 H C 2.134 177.398 175.328 -0.105 0.000 1.090 142 H CA 1.732 57.783 56.048 0.005 0.000 1.332 142 H CB 0.107 29.924 29.762 0.092 0.000 1.386 142 H HN 0.389 nan 8.280 nan 0.000 0.516 143 R N 0.019 120.502 120.500 -0.028 0.000 2.081 143 R HA -0.089 4.251 4.340 0.001 0.000 0.235 143 R C 2.762 178.921 176.300 -0.235 0.000 1.131 143 R CA 1.056 57.081 56.100 -0.125 0.000 0.960 143 R CB -0.184 30.023 30.300 -0.156 0.000 0.856 143 R HN 0.314 nan 8.270 nan 0.000 0.436 144 L N 0.453 121.515 121.223 -0.269 0.000 2.083 144 L HA -0.174 4.166 4.340 0.001 0.000 0.209 144 L C 2.796 179.478 176.870 -0.312 0.000 1.083 144 L CA 1.760 56.447 54.840 -0.256 0.000 0.752 144 L CB -0.862 41.078 42.059 -0.200 0.000 0.899 144 L HN 0.374 nan 8.230 nan 0.000 0.433 145 T N -3.131 111.149 114.554 -0.457 0.000 2.929 145 T HA -0.193 4.158 4.350 0.001 0.000 0.271 145 T C 1.636 176.133 174.700 -0.338 0.000 1.085 145 T CA 0.916 62.752 62.100 -0.440 0.000 1.125 145 T CB -0.073 68.488 68.868 -0.512 0.000 0.874 145 T HN 0.245 nan 8.240 nan 0.000 0.494 146 Q N -0.310 119.292 119.800 -0.330 0.000 2.319 146 Q HA 0.306 4.646 4.340 0.001 0.000 0.202 146 Q C 0.316 176.226 176.000 -0.149 0.000 0.896 146 Q CA -0.140 55.530 55.803 -0.222 0.000 0.942 146 Q CB -0.375 28.249 28.738 -0.191 0.000 1.083 146 Q HN 0.529 nan 8.270 nan 0.000 0.510 147 C N 2.401 121.609 119.300 -0.154 0.000 2.499 147 C HA 0.173 4.633 4.460 0.001 0.000 0.386 147 C C 1.696 176.627 174.990 -0.098 0.000 1.293 147 C CA -0.507 58.442 59.018 -0.116 0.000 1.884 147 C CB 0.389 28.059 27.740 -0.116 0.000 2.509 147 C HN 0.298 nan 8.230 nan 0.000 0.566 148 K N 2.589 122.943 120.400 -0.078 0.000 2.217 148 K HA -0.035 4.286 4.320 0.001 0.000 0.202 148 K C 1.253 177.814 176.600 -0.066 0.000 1.051 148 K CA 1.131 57.377 56.287 -0.067 0.000 0.952 148 K CB -0.127 32.340 32.500 -0.054 0.000 0.736 148 K HN 0.628 nan 8.250 nan 0.000 0.453 149 N N 0.764 119.423 118.700 -0.068 0.000 2.467 149 N HA -0.028 4.713 4.740 0.001 0.000 0.184 149 N C -0.103 175.365 175.510 -0.070 0.000 1.106 149 N CA 0.207 53.217 53.050 -0.067 0.000 0.892 149 N CB 0.475 38.922 38.487 -0.067 0.000 0.969 149 N HN -0.101 nan 8.380 nan 0.000 0.454 150 V N 1.872 121.739 119.914 -0.080 0.000 2.398 150 V HA 0.251 4.372 4.120 0.001 0.000 0.286 150 V C 0.603 176.638 176.094 -0.098 0.000 1.026 150 V CA -0.797 61.451 62.300 -0.087 0.000 0.868 150 V CB 1.772 33.533 31.823 -0.102 0.000 0.982 150 V HN -0.012 nan 8.190 nan 0.000 0.443 151 R N 3.757 124.197 120.500 -0.099 0.000 2.489 151 R HA 0.219 4.559 4.340 0.001 0.000 0.287 151 R C -0.241 175.984 176.300 -0.125 0.000 1.053 151 R CA -0.308 55.730 56.100 -0.103 0.000 1.036 151 R CB 0.440 30.675 30.300 -0.107 0.000 0.966 151 R HN 0.612 nan 8.270 nan 0.000 0.432 152 Q N 3.502 123.236 119.800 -0.111 0.000 2.230 152 Q HA 0.355 4.696 4.340 0.001 0.000 0.248 152 Q C -1.732 174.206 176.000 -0.104 0.000 0.915 152 Q CA -1.709 54.023 55.803 -0.118 0.000 0.900 152 Q CB 0.951 29.627 28.738 -0.104 0.000 1.229 152 Q HN 0.503 nan 8.270 nan 0.000 0.439 153 P HA 0.227 nan 4.420 nan 0.000 0.278 153 P C -0.514 176.686 177.300 -0.167 0.000 1.266 153 P CA -0.553 62.477 63.100 -0.117 0.000 0.807 153 P CB 0.766 32.419 31.700 -0.079 0.000 1.094 154 V N -0.276 119.545 119.914 -0.156 0.000 2.546 154 V HA 0.352 4.472 4.120 0.001 0.000 0.284 154 V C 0.049 176.043 176.094 -0.166 0.000 1.050 154 V CA -0.712 61.483 62.300 -0.174 0.000 0.981 154 V CB 0.340 32.061 31.823 -0.170 0.000 0.990 154 V HN 0.435 nan 8.190 nan 0.000 0.474 155 N N 4.133 122.600 118.700 -0.390 0.000 2.434 155 N HA 0.599 5.340 4.740 0.001 0.000 0.266 155 N C -0.681 174.733 175.510 -0.159 0.000 1.223 155 N CA -0.325 52.373 53.050 -0.586 0.000 0.972 155 N CB 1.877 39.296 38.487 -1.781 0.000 1.207 155 N HN 0.739 nan 8.380 nan 0.000 0.525 156 I N 0.652 121.229 120.570 0.010 0.000 2.466 156 I HA 0.322 4.493 4.170 0.001 0.000 0.289 156 I C -0.519 175.923 176.117 0.543 0.000 1.026 156 I CA -0.825 60.635 61.300 0.267 0.000 1.078 156 I CB 2.097 40.169 38.000 0.120 0.000 1.249 156 I HN 0.013 nan 8.210 nan 0.000 0.429 157 V N 5.154 125.376 119.914 0.514 0.000 2.823 157 V HA 0.782 4.902 4.120 0.001 0.000 0.312 157 V C -0.707 175.538 176.094 0.252 0.000 1.072 157 V CA 0.051 62.598 62.300 0.412 0.000 0.937 157 V CB 2.391 34.370 31.823 0.260 0.000 1.013 157 V HN 0.837 nan 8.190 nan 0.000 0.430 158 S N 3.010 118.755 115.700 0.075 0.000 2.688 158 S HA 0.743 5.213 4.470 0.001 0.000 0.275 158 S C -1.942 172.566 174.600 -0.155 0.000 1.175 158 S CA -0.435 57.739 58.200 -0.044 0.000 0.818 158 S CB 1.740 64.908 63.200 -0.054 0.000 1.157 158 S HN 1.095 nan 8.310 nan 0.000 0.482 159 H N -0.130 118.758 119.070 -0.303 0.000 2.974 159 H HA 0.549 5.106 4.556 0.001 0.000 0.366 159 H C -1.563 173.608 175.328 -0.261 0.000 1.155 159 H CA -0.536 55.314 56.048 -0.329 0.000 1.186 159 H CB 0.769 30.428 29.762 -0.172 0.000 1.799 159 H HN 0.495 nan 8.280 nan 0.000 0.541 160 F N 2.267 121.861 119.950 -0.594 0.000 2.389 160 F HA 0.387 4.915 4.527 0.002 0.000 0.337 160 F C 1.270 176.790 175.800 -0.466 0.000 1.112 160 F CA 0.102 57.811 58.000 -0.485 0.000 1.192 160 F CB 1.385 40.112 39.000 -0.456 0.000 1.185 160 F HN 0.727 nan 8.300 nan 0.000 0.552 161 A N 2.701 125.473 122.820 -0.080 0.000 2.140 161 A HA 0.228 4.549 4.320 0.001 0.000 0.209 161 A C 1.041 178.566 177.584 -0.098 0.000 1.181 161 A CA 0.129 52.105 52.037 -0.101 0.000 0.824 161 A CB 0.151 19.096 19.000 -0.092 0.000 0.879 161 A HN 0.812 nan 8.150 nan 0.000 0.480 162 R N -1.164 119.259 120.500 -0.129 0.000 2.579 162 R HA 0.317 4.658 4.340 0.001 0.000 0.386 162 R C 0.825 177.029 176.300 -0.160 0.000 1.065 162 R CA 0.478 56.508 56.100 -0.116 0.000 1.143 162 R CB 0.383 30.622 30.300 -0.100 0.000 1.357 162 R HN 0.261 nan 8.270 nan 0.000 0.644 163 A N 1.350 124.051 122.820 -0.198 0.000 2.121 163 A HA -0.165 4.155 4.320 0.001 0.000 0.218 163 A C 1.516 179.207 177.584 0.179 0.000 1.154 163 A CA 1.498 53.404 52.037 -0.219 0.000 0.679 163 A CB -0.121 18.771 19.000 -0.180 0.000 0.795 163 A HN 0.434 nan 8.150 nan 0.000 0.458 164 D N -0.175 120.288 120.400 0.104 0.000 2.340 164 D HA -0.024 4.617 4.640 0.001 0.000 0.220 164 D C -0.025 176.344 176.300 0.115 0.000 1.039 164 D CA 0.250 54.328 54.000 0.129 0.000 0.866 164 D CB -0.223 40.636 40.800 0.099 0.000 0.913 164 D HN 0.539 nan 8.370 nan 0.000 0.523 165 E N 1.657 121.924 120.200 0.111 0.000 2.751 165 E HA 0.147 4.498 4.350 0.001 0.000 0.219 165 E C -1.782 174.914 176.600 0.160 0.000 1.060 165 E CA -1.686 54.769 56.400 0.092 0.000 0.893 165 E CB 1.595 31.320 29.700 0.040 0.000 1.300 165 E HN 0.087 nan 8.360 nan 0.000 0.433 166 P HA -0.175 nan 4.420 nan 0.000 0.222 166 P C 0.753 178.134 177.300 0.135 0.000 1.147 166 P CA 0.964 64.190 63.100 0.210 0.000 0.790 166 P CB 0.378 32.056 31.700 -0.038 0.000 0.780 167 K N -0.353 120.093 120.400 0.077 0.000 2.217 167 K HA -0.013 4.307 4.320 0.001 0.000 0.202 167 K C 1.393 178.025 176.600 0.053 0.000 1.051 167 K CA 0.700 57.017 56.287 0.049 0.000 0.952 167 K CB -0.395 32.122 32.500 0.028 0.000 0.736 167 K HN 0.352 nan 8.250 nan 0.000 0.453 168 C N -1.052 118.281 119.300 0.055 0.000 2.382 168 C HA 0.584 5.044 4.460 0.001 0.000 0.363 168 C C 1.475 176.486 174.990 0.035 0.000 1.213 168 C CA -1.037 58.000 59.018 0.031 0.000 2.363 168 C CB 0.709 28.454 27.740 0.008 0.000 2.397 168 C HN 0.395 nan 8.230 nan 0.000 0.573 169 G N 0.450 109.258 108.800 0.013 0.000 3.440 169 G HA2 0.414 4.375 3.960 0.001 0.000 0.263 169 G HA3 0.414 4.375 3.960 0.001 0.000 0.263 169 G C 1.098 175.961 174.900 -0.063 0.000 1.236 169 G CA 0.587 45.687 45.100 0.001 0.000 0.927 169 G HN 1.290 nan 8.290 nan 0.000 0.530 170 A N 0.498 123.258 122.820 -0.099 0.000 1.858 170 A HA -0.047 4.273 4.320 0.001 0.000 0.216 170 A C 2.506 179.931 177.584 -0.266 0.000 1.190 170 A CA 2.306 54.255 52.037 -0.147 0.000 0.617 170 A CB -0.798 18.119 19.000 -0.138 0.000 0.827 170 A HN 0.278 nan 8.150 nan 0.000 0.443 171 T N 0.104 114.357 114.554 -0.502 0.000 2.720 171 T HA -0.136 4.215 4.350 0.001 0.000 0.268 171 T C 1.769 176.084 174.700 -0.642 0.000 1.037 171 T CA 1.888 63.412 62.100 -0.959 0.000 1.144 171 T CB -0.306 67.382 68.868 -1.965 0.000 0.864 171 T HN 0.617 nan 8.240 nan 0.000 0.444 172 E N 0.996 120.962 120.200 -0.390 0.000 2.110 172 E HA -0.050 4.300 4.350 0.001 0.000 0.193 172 E C 2.243 178.815 176.600 -0.046 0.000 0.988 172 E CA 0.915 57.239 56.400 -0.126 0.000 0.804 172 E CB -0.097 29.607 29.700 0.007 0.000 0.745 172 E HN 0.441 nan 8.360 nan 0.000 0.458 173 K N 0.393 120.757 120.400 -0.060 0.000 2.097 173 K HA -0.106 4.215 4.320 0.001 0.000 0.205 173 K C 2.200 178.813 176.600 0.022 0.000 1.050 173 K CA 1.091 57.373 56.287 -0.009 0.000 0.938 173 K CB -0.045 32.444 32.500 -0.018 0.000 0.718 173 K HN 0.171 nan 8.250 nan 0.000 0.442 174 Q N 0.297 120.099 119.800 0.003 0.000 2.119 174 Q HA -0.096 4.244 4.340 0.001 0.000 0.201 174 Q C 2.007 178.120 176.000 0.189 0.000 0.972 174 Q CA 0.755 56.609 55.803 0.085 0.000 0.847 174 Q CB 0.030 28.852 28.738 0.139 0.000 0.903 174 Q HN 0.177 nan 8.270 nan 0.000 0.433 175 L N 0.398 121.734 121.223 0.188 0.000 2.056 175 L HA -0.103 4.238 4.340 0.001 0.000 0.207 175 L C 2.362 179.401 176.870 0.280 0.000 1.078 175 L CA 1.720 56.738 54.840 0.296 0.000 0.749 175 L CB -1.591 40.608 42.059 0.234 0.000 0.901 175 L HN 0.150 nan 8.230 nan 0.000 0.433 176 A N -0.065 122.859 122.820 0.173 0.000 1.883 176 A HA -0.208 4.113 4.320 0.001 0.000 0.217 176 A C 2.311 179.983 177.584 0.147 0.000 1.186 176 A CA 1.765 53.887 52.037 0.142 0.000 0.624 176 A CB -0.603 18.452 19.000 0.092 0.000 0.822 176 A HN 0.378 nan 8.150 nan 0.000 0.444 177 I N -2.164 118.492 120.570 0.144 0.000 2.252 177 I HA -0.206 3.964 4.170 0.001 0.000 0.245 177 I C 2.343 178.569 176.117 0.182 0.000 1.102 177 I CA 1.392 62.772 61.300 0.132 0.000 1.385 177 I CB -0.335 37.724 38.000 0.098 0.000 1.064 177 I HN 0.412 nan 8.210 nan 0.000 0.414 178 F N 2.260 122.249 119.950 0.065 0.000 2.075 178 F HA -0.249 4.279 4.527 0.001 0.000 0.297 178 F C 2.431 178.266 175.800 0.059 0.000 1.113 178 F CA 1.761 59.793 58.000 0.053 0.000 1.218 178 F CB -0.465 38.565 39.000 0.049 0.000 0.984 178 F HN 0.077 nan 8.300 nan 0.000 0.472 179 N N -0.270 118.543 118.700 0.188 0.000 2.104 179 N HA -0.156 4.584 4.740 0.001 0.000 0.190 179 N C 1.802 177.305 175.510 -0.012 0.000 1.024 179 N CA 2.026 55.116 53.050 0.067 0.000 0.853 179 N CB -0.879 37.722 38.487 0.190 0.000 1.008 179 N HN 0.315 nan 8.380 nan 0.000 0.424 180 T N 0.730 115.307 114.554 0.039 0.000 2.746 180 T HA -0.119 4.232 4.350 0.001 0.000 0.267 180 T C 1.665 176.354 174.700 -0.019 0.000 1.039 180 T CA 0.790 62.902 62.100 0.019 0.000 1.142 180 T CB -0.400 68.501 68.868 0.056 0.000 0.866 180 T HN 0.258 nan 8.240 nan 0.000 0.444 181 F N 0.915 120.765 119.950 -0.167 0.000 2.259 181 F HA -0.051 4.476 4.527 0.001 0.000 0.298 181 F C 2.103 177.705 175.800 -0.329 0.000 1.088 181 F CA 0.582 58.444 58.000 -0.229 0.000 1.358 181 F CB -0.260 38.605 39.000 -0.225 0.000 1.040 181 F HN 0.131 nan 8.300 nan 0.000 0.505 182 C N 0.947 120.013 119.300 -0.389 0.000 2.481 182 C HA 0.007 4.468 4.460 0.001 0.000 0.275 182 C C 0.826 175.590 174.990 -0.375 0.000 1.419 182 C CA -0.254 58.467 59.018 -0.495 0.000 1.773 182 C CB -1.681 25.735 27.740 -0.541 0.000 1.862 182 C HN 0.311 nan 8.230 nan 0.000 0.530 183 E N 0.510 120.545 120.200 -0.275 0.000 2.529 183 E HA 0.278 4.629 4.350 0.001 0.000 0.259 183 E C 1.304 177.776 176.600 -0.214 0.000 0.966 183 E CA 0.864 57.154 56.400 -0.184 0.000 0.937 183 E CB 0.028 29.654 29.700 -0.124 0.000 0.923 183 E HN 0.559 nan 8.360 nan 0.000 0.468 184 G N 3.173 111.882 108.800 -0.150 0.000 2.189 184 G HA2 -0.349 3.611 3.960 0.001 0.000 0.267 184 G HA3 -0.349 3.611 3.960 0.001 0.000 0.267 184 G C 0.030 174.834 174.900 -0.160 0.000 0.975 184 G CA 0.445 45.466 45.100 -0.133 0.000 0.644 184 G HN 0.434 nan 8.290 nan 0.000 0.537 185 K N 1.130 121.395 120.400 -0.225 0.000 2.138 185 K HA 0.546 4.866 4.320 0.001 0.000 0.263 185 K C -1.708 174.815 176.600 -0.128 0.000 0.965 185 K CA -1.477 54.677 56.287 -0.222 0.000 0.868 185 K CB 2.092 34.329 32.500 -0.439 0.000 1.083 185 K HN 0.165 nan 8.250 nan 0.000 0.443 186 P HA 0.327 nan 4.420 nan 0.000 0.317 186 P C -0.325 176.946 177.300 -0.048 0.000 1.307 186 P CA -0.293 62.783 63.100 -0.040 0.000 0.749 186 P CB 0.437 32.124 31.700 -0.022 0.000 1.377 187 G N -0.427 108.342 108.800 -0.053 0.000 2.862 187 G HA2 -0.098 3.862 3.960 0.001 0.000 0.686 187 G HA3 -0.098 3.862 3.960 0.001 0.000 0.686 187 G C -0.483 174.352 174.900 -0.108 0.000 1.134 187 G CA -0.783 44.251 45.100 -0.110 0.000 0.791 187 G HN 0.609 nan 8.290 nan 0.000 0.592 188 Q N 0.887 120.587 119.800 -0.166 0.000 2.386 188 Q HA 0.219 4.560 4.340 0.001 0.000 0.282 188 Q C 0.976 176.995 176.000 0.033 0.000 1.050 188 Q CA 0.591 56.382 55.803 -0.020 0.000 0.918 188 Q CB 0.610 29.316 28.738 -0.054 0.000 1.266 188 Q HN 0.637 nan 8.270 nan 0.000 0.423 189 R N 0.488 121.169 120.500 0.302 0.000 2.599 189 R HA 0.581 4.922 4.340 0.001 0.000 0.295 189 R C -0.647 176.023 176.300 0.616 0.000 0.963 189 R CA -0.483 55.839 56.100 0.371 0.000 0.883 189 R CB 1.920 32.251 30.300 0.051 0.000 1.171 189 R HN 0.504 nan 8.270 nan 0.000 0.450 190 S N 2.668 118.756 115.700 0.647 0.000 2.603 190 S HA 0.419 4.889 4.470 0.001 0.000 0.274 190 S C -0.511 174.118 174.600 0.049 0.000 1.168 190 S CA -0.579 57.852 58.200 0.385 0.000 0.963 190 S CB 1.149 64.482 63.200 0.221 0.000 1.078 190 S HN 0.782 nan 8.310 nan 0.000 0.477 191 I N 3.262 123.735 120.570 -0.161 0.000 4.916 191 I HA 0.502 4.673 4.170 0.001 0.000 0.335 191 I C 0.345 176.116 176.117 -0.575 0.000 1.274 191 I CA -0.003 60.949 61.300 -0.581 0.000 1.365 191 I CB 0.417 37.693 38.000 -1.206 0.000 1.395 191 I HN 0.680 nan 8.210 nan 0.000 0.485 192 A N 1.524 124.209 122.820 -0.226 0.000 2.309 192 A HA 0.825 5.146 4.320 0.001 0.000 0.298 192 A C 0.041 177.644 177.584 0.032 0.000 1.165 192 A CA 0.282 52.275 52.037 -0.072 0.000 0.821 192 A CB 0.739 19.839 19.000 0.167 0.000 1.102 192 A HN 0.365 nan 8.150 nan 0.000 0.500 193 A N 1.310 124.187 122.820 0.095 0.000 3.184 193 A HA 0.694 5.014 4.320 0.001 0.000 0.206 193 A C 1.523 179.174 177.584 0.112 0.000 1.262 193 A CA 0.465 52.580 52.037 0.130 0.000 0.891 193 A CB -0.468 18.697 19.000 0.275 0.000 1.526 193 A HN 0.869 nan 8.150 nan 0.000 0.508 194 S N -0.222 115.539 115.700 0.102 0.000 2.380 194 S HA -0.201 4.270 4.470 0.001 0.000 0.229 194 S C 2.002 176.627 174.600 0.041 0.000 1.050 194 S CA 2.260 60.481 58.200 0.035 0.000 1.100 194 S CB -0.929 62.291 63.200 0.034 0.000 0.984 194 S HN 1.095 nan 8.310 nan 0.000 0.434 195 G N 0.872 109.742 108.800 0.116 0.000 2.440 195 G HA2 -0.085 3.875 3.960 0.001 0.000 0.218 195 G HA3 -0.085 3.875 3.960 0.001 0.000 0.218 195 G C 1.447 176.525 174.900 0.297 0.000 1.154 195 G CA 1.086 46.279 45.100 0.154 0.000 0.767 195 G HN 0.596 nan 8.290 nan 0.000 0.552 196 G N 0.915 109.932 108.800 0.362 0.000 2.418 196 G HA2 -0.147 3.814 3.960 0.001 0.000 0.217 196 G HA3 -0.147 3.814 3.960 0.001 0.000 0.217 196 G C 1.776 176.938 174.900 0.437 0.000 1.158 196 G CA 0.811 46.223 45.100 0.520 0.000 0.771 196 G HN 0.449 nan 8.290 nan 0.000 0.545 197 I N 0.371 121.095 120.570 0.256 0.000 2.127 197 I HA -0.171 4.000 4.170 0.001 0.000 0.241 197 I C 2.754 178.999 176.117 0.213 0.000 1.075 197 I CA 0.950 62.346 61.300 0.161 0.000 1.334 197 I CB -0.282 37.690 38.000 -0.047 0.000 1.040 197 I HN 0.129 nan 8.210 nan 0.000 0.405 198 L N -0.029 121.222 121.223 0.047 0.000 2.027 198 L HA -0.168 4.173 4.340 0.001 0.000 0.206 198 L C 2.220 179.091 176.870 0.002 0.000 1.074 198 L CA 1.324 56.133 54.840 -0.052 0.000 0.745 198 L CB -0.387 41.427 42.059 -0.408 0.000 0.898 198 L HN 0.283 nan 8.230 nan 0.000 0.433 199 L N -2.871 118.348 121.223 -0.006 0.000 2.556 199 L HA 0.065 4.406 4.340 0.001 0.000 0.226 199 L C -0.165 176.358 176.870 -0.578 0.000 1.089 199 L CA -0.091 54.585 54.840 -0.274 0.000 0.864 199 L CB 0.133 41.974 42.059 -0.362 0.000 1.067 199 L HN 0.244 nan 8.230 nan 0.000 0.477 200 W N 1.104 122.391 121.300 -0.022 0.000 2.433 200 W HA 0.366 5.026 4.660 0.000 0.000 0.288 200 W C -1.822 174.570 176.519 -0.212 0.000 0.986 200 W CA -1.684 55.609 57.345 -0.086 0.000 1.680 200 W CB 0.214 29.625 29.460 -0.081 0.000 1.615 200 W HN -0.224 nan 8.180 nan 0.000 0.416 201 P HA -0.196 nan 4.420 nan 0.000 0.228 201 P C 0.662 177.614 177.300 -0.579 0.000 1.151 201 P CA 1.434 64.094 63.100 -0.733 0.000 0.770 201 P CB 0.464 31.932 31.700 -0.386 0.000 0.786 202 Q N -0.068 119.583 119.800 -0.248 0.000 2.403 202 Q HA 0.033 4.374 4.340 0.001 0.000 0.203 202 Q C 1.768 177.535 176.000 -0.387 0.000 0.932 202 Q CA 0.874 56.549 55.803 -0.213 0.000 0.945 202 Q CB -0.387 28.335 28.738 -0.027 0.000 1.045 202 Q HN 0.320 nan 8.270 nan 0.000 0.511 203 S N -2.106 113.428 115.700 -0.276 0.000 2.578 203 S HA 0.138 4.609 4.470 0.001 0.000 0.231 203 S C 0.953 175.444 174.600 -0.182 0.000 0.994 203 S CA -0.433 57.616 58.200 -0.252 0.000 0.956 203 S CB -0.211 63.184 63.200 0.325 0.000 0.870 203 S HN 0.414 nan 8.310 nan 0.000 0.494 204 H N 0.765 119.656 119.070 -0.297 0.000 2.326 204 H HA 0.084 4.640 4.556 0.001 0.000 0.301 204 H C 0.490 175.865 175.328 0.078 0.000 1.081 204 H CA 0.912 56.916 56.048 -0.073 0.000 1.334 204 H CB -0.191 29.543 29.762 -0.046 0.000 1.385 204 H HN 0.366 nan 8.280 nan 0.000 0.504 205 F N 0.148 120.274 119.950 0.293 0.000 1.897 205 F HA -0.457 4.070 4.527 0.001 0.000 0.219 205 F C 1.730 177.682 175.800 0.252 0.000 0.336 205 F CA 1.116 59.278 58.000 0.269 0.000 0.735 205 F CB -0.725 38.474 39.000 0.331 0.000 2.719 205 F HN 0.216 nan 8.300 nan 0.000 0.502 206 D N -1.830 118.918 120.400 0.580 0.000 2.183 206 D HA -0.014 4.626 4.640 0.001 0.000 0.205 206 D C -0.167 176.373 176.300 0.398 0.000 0.962 206 D CA 1.574 55.853 54.000 0.466 0.000 0.849 206 D CB 0.038 41.196 40.800 0.597 0.000 0.978 206 D HN 0.207 nan 8.370 nan 0.000 0.488 207 W N 0.802 122.268 121.300 0.276 0.000 2.998 207 W HA 0.386 5.046 4.660 0.001 0.000 0.335 207 W C -0.568 176.001 176.519 0.084 0.000 1.110 207 W CA -0.949 56.490 57.345 0.158 0.000 1.230 207 W CB 1.267 30.830 29.460 0.170 0.000 1.405 207 W HN -0.351 nan 8.180 nan 0.000 0.493 208 V N 0.488 120.524 119.914 0.202 0.000 2.815 208 V HA 0.716 4.836 4.120 0.001 0.000 0.314 208 V C -0.242 175.883 176.094 0.052 0.000 1.064 208 V CA -1.670 60.680 62.300 0.083 0.000 0.952 208 V CB 2.069 33.865 31.823 -0.045 0.000 1.020 208 V HN 0.591 nan 8.190 nan 0.000 0.439 209 R N 2.593 123.103 120.500 0.017 0.000 2.724 209 R HA 0.377 4.718 4.340 0.001 0.000 0.284 209 R C -2.776 173.516 176.300 -0.013 0.000 1.481 209 R CA -1.556 54.540 56.100 -0.008 0.000 1.652 209 R CB 1.001 31.281 30.300 -0.034 0.000 1.175 209 R HN 0.608 nan 8.270 nan 0.000 0.613 210 P HA 0.019 nan 4.420 nan 0.000 0.267 210 P C -0.162 177.062 177.300 -0.127 0.000 1.209 210 P CA 0.371 63.417 63.100 -0.090 0.000 0.763 210 P CB 1.853 33.468 31.700 -0.142 0.000 0.816 211 G N 2.700 111.436 108.800 -0.106 0.000 2.487 211 G HA2 0.023 3.983 3.960 0.001 0.000 0.212 211 G HA3 0.023 3.983 3.960 0.001 0.000 0.212 211 G C 1.042 175.750 174.900 -0.321 0.000 1.988 211 G CA -0.045 44.919 45.100 -0.228 0.000 0.724 211 G HN 0.417 nan 8.290 nan 0.000 0.755 212 I N 0.819 121.327 120.570 -0.104 0.000 2.113 212 I HA -0.183 3.987 4.170 0.001 0.000 0.242 212 I C 2.434 178.502 176.117 -0.083 0.000 1.064 212 I CA 1.330 62.589 61.300 -0.069 0.000 1.320 212 I CB -0.121 37.686 38.000 -0.321 0.000 1.028 212 I HN 0.208 nan 8.210 nan 0.000 0.406 213 I N -0.087 120.410 120.570 -0.122 0.000 2.567 213 I HA -0.230 3.941 4.170 0.001 0.000 0.257 213 I C 2.119 178.125 176.117 -0.185 0.000 1.184 213 I CA 1.276 62.500 61.300 -0.127 0.000 1.451 213 I CB -0.504 37.406 38.000 -0.150 0.000 1.089 213 I HN 0.320 nan 8.210 nan 0.000 0.441 214 L N -0.596 120.421 121.223 -0.342 0.000 2.191 214 L HA -0.216 4.125 4.340 0.001 0.000 0.212 214 L C 1.407 177.886 176.870 -0.652 0.000 1.103 214 L CA 1.585 56.107 54.840 -0.530 0.000 0.769 214 L CB -0.402 41.198 42.059 -0.766 0.000 0.908 214 L HN 0.296 nan 8.230 nan 0.000 0.438 215 Y N -0.524 119.637 120.300 -0.230 0.000 2.470 215 Y HA 0.247 4.798 4.550 0.001 0.000 0.284 215 Y C 1.615 177.474 175.900 -0.068 0.000 1.188 215 Y CA 0.393 58.347 58.100 -0.242 0.000 1.269 215 Y CB -0.039 38.152 38.460 -0.448 0.000 1.094 215 Y HN 0.313 nan 8.280 nan 0.000 0.518 216 G N 0.426 109.236 108.800 0.016 0.000 2.147 216 G HA2 -0.247 3.714 3.960 0.001 0.000 0.244 216 G HA3 -0.247 3.714 3.960 0.001 0.000 0.244 216 G C -0.406 174.542 174.900 0.080 0.000 1.005 216 G CA 0.223 45.362 45.100 0.066 0.000 0.713 216 G HN 0.166 nan 8.290 nan 0.000 0.515 217 V N 0.189 120.137 119.914 0.056 0.000 2.555 217 V HA 0.738 4.859 4.120 0.001 0.000 0.302 217 V C 0.802 176.894 176.094 -0.004 0.000 1.038 217 V CA -0.151 62.164 62.300 0.026 0.000 0.887 217 V CB 1.827 33.648 31.823 -0.003 0.000 0.991 217 V HN 0.507 nan 8.190 nan 0.000 0.434 218 S N 5.072 120.794 115.700 0.036 0.000 2.564 218 S HA 0.302 4.773 4.470 0.001 0.000 0.278 218 S C -1.243 173.359 174.600 0.003 0.000 1.333 218 S CA -0.919 57.320 58.200 0.064 0.000 1.048 218 S CB 1.083 64.399 63.200 0.194 0.000 0.900 218 S HN 0.721 nan 8.310 nan 0.000 0.505 219 P HA 0.177 nan 4.420 nan 0.000 0.255 219 P C -0.320 177.103 177.300 0.204 0.000 1.248 219 P CA 0.226 63.409 63.100 0.139 0.000 0.807 219 P CB 0.083 31.866 31.700 0.138 0.000 1.150 220 L N 0.158 121.466 121.223 0.140 0.000 2.360 220 L HA 0.360 4.701 4.340 0.001 0.000 0.271 220 L C 0.906 177.848 176.870 0.120 0.000 1.057 220 L CA -0.616 54.306 54.840 0.137 0.000 0.803 220 L CB 1.113 43.262 42.059 0.149 0.000 1.207 220 L HN -0.258 nan 8.230 nan 0.000 0.445 221 E N 1.218 121.476 120.200 0.096 0.000 2.542 221 E HA 0.021 4.372 4.350 0.001 0.000 0.224 221 E C -0.690 175.943 176.600 0.056 0.000 1.110 221 E CA -0.041 56.401 56.400 0.070 0.000 1.350 221 E CB 0.184 29.918 29.700 0.057 0.000 1.302 221 E HN 0.561 nan 8.360 nan 0.000 0.435 222 D N 0.281 120.720 120.400 0.064 0.000 2.593 222 D HA -0.003 4.638 4.640 0.001 0.000 0.241 222 D C 0.492 176.817 176.300 0.041 0.000 1.257 222 D CA -0.541 53.489 54.000 0.050 0.000 0.828 222 D CB -0.256 40.578 40.800 0.057 0.000 1.049 222 D HN 0.244 nan 8.370 nan 0.000 0.490 223 R N -0.856 119.669 120.500 0.040 0.000 3.953 223 R HA -0.230 4.111 4.340 0.001 0.000 0.340 223 R C -0.364 175.954 176.300 0.029 0.000 1.195 223 R CA 1.146 57.263 56.100 0.028 0.000 0.929 223 R CB -3.298 27.011 30.300 0.016 0.000 1.402 223 R HN 0.314 nan 8.270 nan 0.000 0.540 224 S N -0.138 115.594 115.700 0.053 0.000 2.603 224 S HA 0.554 5.024 4.470 0.001 0.000 0.268 224 S C 0.522 175.172 174.600 0.084 0.000 1.317 224 S CA 0.045 58.276 58.200 0.052 0.000 1.012 224 S CB 1.879 65.153 63.200 0.124 0.000 0.926 224 S HN 0.531 nan 8.310 nan 0.000 0.539 225 T N -2.033 112.558 114.554 0.062 0.000 2.883 225 T HA 0.666 5.017 4.350 0.001 0.000 0.284 225 T C 1.375 176.172 174.700 0.163 0.000 1.041 225 T CA -0.381 61.770 62.100 0.085 0.000 1.007 225 T CB 0.785 69.675 68.868 0.037 0.000 1.220 225 T HN 0.710 nan 8.240 nan 0.000 0.552 226 G N -0.090 108.798 108.800 0.146 0.000 2.432 226 G HA2 0.027 3.988 3.960 0.001 0.000 0.219 226 G HA3 0.027 3.988 3.960 0.001 0.000 0.219 226 G C 1.621 176.629 174.900 0.179 0.000 1.135 226 G CA 0.756 45.974 45.100 0.197 0.000 0.767 226 G HN 1.134 nan 8.290 nan 0.000 0.550 227 A N 0.824 123.692 122.820 0.080 0.000 2.121 227 A HA 0.037 4.357 4.320 0.001 0.000 0.218 227 A C 1.919 179.472 177.584 -0.052 0.000 1.154 227 A CA 1.813 53.866 52.037 0.026 0.000 0.679 227 A CB -0.240 18.762 19.000 0.003 0.000 0.795 227 A HN 0.274 nan 8.150 nan 0.000 0.458 228 D N -1.060 119.247 120.400 -0.155 0.000 2.264 228 D HA -0.048 4.593 4.640 0.001 0.000 0.208 228 D C 0.526 176.415 176.300 -0.686 0.000 0.966 228 D CA 1.059 54.781 54.000 -0.463 0.000 0.864 228 D CB -0.202 40.170 40.800 -0.713 0.000 0.933 228 D HN 0.593 nan 8.370 nan 0.000 0.499 229 F N -1.391 118.566 119.950 0.012 0.000 2.654 229 F HA 0.352 4.879 4.527 0.001 0.000 0.303 229 F C 1.665 177.480 175.800 0.026 0.000 1.099 229 F CA -0.175 57.833 58.000 0.013 0.000 1.270 229 F CB 0.755 39.761 39.000 0.010 0.000 1.024 229 F HN -0.054 nan 8.300 nan 0.000 0.548 230 G N 0.192 109.070 108.800 0.130 0.000 2.143 230 G HA2 -0.283 3.677 3.960 0.001 0.000 0.249 230 G HA3 -0.283 3.677 3.960 0.001 0.000 0.249 230 G C -0.115 174.923 174.900 0.231 0.000 0.981 230 G CA -0.096 45.093 45.100 0.148 0.000 0.665 230 G HN 0.342 nan 8.290 nan 0.000 0.528 231 C N 0.882 120.300 119.300 0.196 0.000 2.341 231 C HA 0.665 5.126 4.460 0.001 0.000 0.338 231 C C 0.614 175.676 174.990 0.121 0.000 1.257 231 C CA -0.691 58.439 59.018 0.187 0.000 1.883 231 C CB 1.152 28.971 27.740 0.132 0.000 2.334 231 C HN 0.593 nan 8.230 nan 0.000 0.524 232 Q N 4.136 123.993 119.800 0.095 0.000 2.243 232 Q HA 0.307 4.647 4.340 0.001 0.000 0.252 232 Q C -2.280 173.758 176.000 0.063 0.000 0.909 232 Q CA -1.424 54.393 55.803 0.023 0.000 0.922 232 Q CB 1.095 29.782 28.738 -0.084 0.000 1.215 232 Q HN 0.509 nan 8.270 nan 0.000 0.427 233 P HA -0.064 nan 4.420 nan 0.000 0.267 233 P C 0.041 177.427 177.300 0.143 0.000 1.209 233 P CA 0.221 63.391 63.100 0.118 0.000 0.763 233 P CB 1.048 32.816 31.700 0.114 0.000 0.816 234 V N 3.962 124.000 119.914 0.207 0.000 2.446 234 V HA -0.021 4.099 4.120 0.001 0.000 0.244 234 V C 1.555 177.816 176.094 0.278 0.000 1.039 234 V CA 1.379 63.825 62.300 0.243 0.000 1.045 234 V CB -0.443 31.551 31.823 0.284 0.000 0.681 234 V HN 0.562 nan 8.190 nan 0.000 0.459 235 M N 0.106 119.912 119.600 0.343 0.000 2.367 235 M HA 0.412 4.892 4.480 0.001 0.000 0.339 235 M C -0.859 175.566 176.300 0.209 0.000 1.177 235 M CA 0.261 55.692 55.300 0.218 0.000 1.068 235 M CB 1.582 34.246 32.600 0.108 0.000 1.602 235 M HN 0.156 nan 8.290 nan 0.000 0.457 236 S N 4.272 120.010 115.700 0.064 0.000 2.672 236 S HA 0.508 4.979 4.470 0.001 0.000 0.291 236 S C -1.353 173.113 174.600 -0.225 0.000 1.145 236 S CA -0.691 57.501 58.200 -0.014 0.000 1.013 236 S CB 1.584 64.772 63.200 -0.020 0.000 1.017 236 S HN 0.678 nan 8.310 nan 0.000 0.487 237 L N 5.053 125.950 121.223 -0.543 0.000 2.257 237 L HA 0.689 5.030 4.340 0.001 0.000 0.290 237 L C 0.185 176.799 176.870 -0.426 0.000 1.044 237 L CA 0.374 54.816 54.840 -0.664 0.000 0.810 237 L CB 0.527 41.763 42.059 -1.372 0.000 1.193 237 L HN 0.781 nan 8.230 nan 0.000 0.425 238 T N 1.192 115.579 114.554 -0.280 0.000 2.907 238 T HA 0.898 5.249 4.350 0.001 0.000 0.290 238 T C -0.280 174.316 174.700 -0.173 0.000 1.066 238 T CA -0.361 61.621 62.100 -0.197 0.000 1.012 238 T CB 1.871 70.657 68.868 -0.137 0.000 1.184 238 T HN 0.641 nan 8.240 nan 0.000 0.522 239 S N -0.456 115.158 115.700 -0.144 0.000 2.862 239 S HA 0.771 5.242 4.470 0.001 0.000 0.300 239 S C -1.597 172.940 174.600 -0.105 0.000 1.240 239 S CA -0.613 57.510 58.200 -0.127 0.000 1.025 239 S CB 0.880 63.991 63.200 -0.149 0.000 1.340 239 S HN 1.065 nan 8.310 nan 0.000 0.544 240 S N 0.183 115.824 115.700 -0.099 0.000 2.607 240 S HA 0.629 5.100 4.470 0.001 0.000 0.273 240 S C -1.502 173.047 174.600 -0.086 0.000 1.148 240 S CA -0.693 57.457 58.200 -0.083 0.000 0.833 240 S CB 1.204 64.363 63.200 -0.067 0.000 1.130 240 S HN 0.613 nan 8.310 nan 0.000 0.470 241 L N 2.307 123.485 121.223 -0.075 0.000 2.371 241 L HA 0.463 4.803 4.340 0.001 0.000 0.272 241 L C 0.897 177.728 176.870 -0.065 0.000 1.124 241 L CA -0.215 54.580 54.840 -0.075 0.000 0.816 241 L CB 0.561 42.580 42.059 -0.066 0.000 1.129 241 L HN 0.768 nan 8.230 nan 0.000 0.448 242 I N -0.473 120.058 120.570 -0.066 0.000 4.082 242 I HA 0.575 4.746 4.170 0.001 0.000 0.337 242 I C 0.320 176.408 176.117 -0.049 0.000 1.352 242 I CA -0.140 61.127 61.300 -0.055 0.000 1.097 242 I CB 0.602 38.567 38.000 -0.058 0.000 1.048 242 I HN 0.495 nan 8.210 nan 0.000 0.393 243 A N 0.617 123.406 122.820 -0.052 0.000 2.583 243 A HA 0.701 5.021 4.320 0.001 0.000 0.298 243 A C -1.487 176.070 177.584 -0.046 0.000 1.055 243 A CA -0.402 51.609 52.037 -0.044 0.000 0.714 243 A CB 1.630 20.604 19.000 -0.043 0.000 1.277 243 A HN -0.048 nan 8.150 nan 0.000 0.406 244 V N 2.732 122.626 119.914 -0.033 0.000 2.482 244 V HA 0.606 4.727 4.120 0.001 0.000 0.295 244 V C -0.120 175.965 176.094 -0.015 0.000 1.026 244 V CA -0.375 61.908 62.300 -0.029 0.000 0.856 244 V CB 1.574 33.382 31.823 -0.025 0.000 1.001 244 V HN 0.943 nan 8.190 nan 0.000 0.424 245 R N 2.626 123.121 120.500 -0.009 0.000 2.854 245 R HA 0.637 4.977 4.340 0.001 0.000 0.271 245 R C -0.914 175.413 176.300 0.044 0.000 0.994 245 R CA -1.032 55.077 56.100 0.014 0.000 0.945 245 R CB 2.096 32.405 30.300 0.015 0.000 1.194 245 R HN 0.520 nan 8.270 nan 0.000 0.476 246 E N 1.316 121.551 120.200 0.058 0.000 2.349 246 E HA 0.156 4.507 4.350 0.001 0.000 0.265 246 E C -0.806 175.888 176.600 0.157 0.000 1.064 246 E CA -0.028 56.421 56.400 0.081 0.000 0.886 246 E CB 1.070 30.799 29.700 0.049 0.000 1.036 246 E HN 0.419 nan 8.360 nan 0.000 0.413 247 H N 0.201 119.291 119.070 0.033 0.000 2.996 247 H HA 0.316 4.872 4.556 0.001 0.000 0.368 247 H C -1.070 174.283 175.328 0.042 0.000 1.185 247 H CA -0.689 55.387 56.048 0.048 0.000 1.160 247 H CB 0.992 30.806 29.762 0.086 0.000 1.820 247 H HN 0.045 nan 8.280 nan 0.000 0.547 248 K N 1.550 121.708 120.400 -0.405 0.000 2.166 248 K HA 0.675 4.996 4.320 0.001 0.000 0.245 248 K C -0.441 176.010 176.600 -0.248 0.000 0.967 248 K CA -0.625 55.517 56.287 -0.242 0.000 0.863 248 K CB 1.586 33.979 32.500 -0.178 0.000 1.107 248 K HN 0.703 nan 8.250 nan 0.000 0.436 249 A N 0.030 122.777 122.820 -0.122 0.000 2.462 249 A HA 0.449 4.769 4.320 0.001 0.000 0.243 249 A C 1.178 178.684 177.584 -0.130 0.000 1.076 249 A CA 0.978 52.955 52.037 -0.101 0.000 0.773 249 A CB -0.615 18.347 19.000 -0.063 0.000 1.010 249 A HN 0.895 nan 8.150 nan 0.000 0.493 250 G N 1.091 109.807 108.800 -0.140 0.000 2.225 250 G HA2 -0.218 3.742 3.960 0.001 0.000 0.254 250 G HA3 -0.218 3.742 3.960 0.001 0.000 0.254 250 G C 0.081 174.905 174.900 -0.127 0.000 0.988 250 G CA 0.555 45.577 45.100 -0.129 0.000 0.625 250 G HN 0.876 nan 8.290 nan 0.000 0.527 251 E N 2.336 122.438 120.200 -0.163 0.000 2.289 251 E HA 0.390 4.741 4.350 0.001 0.000 0.278 251 E C -2.100 174.554 176.600 0.089 0.000 1.032 251 E CA -1.618 54.711 56.400 -0.119 0.000 0.854 251 E CB 1.631 31.099 29.700 -0.387 0.000 1.046 251 E HN 0.291 nan 8.360 nan 0.000 0.409 252 P HA 0.170 nan 4.420 nan 0.000 0.278 252 P C -0.717 176.747 177.300 0.274 0.000 1.258 252 P CA -0.390 62.805 63.100 0.157 0.000 0.811 252 P CB 1.118 32.870 31.700 0.086 0.000 1.063 253 V N 0.040 120.120 119.914 0.276 0.000 2.638 253 V HA 0.661 4.782 4.120 0.001 0.000 0.306 253 V C 0.514 176.661 176.094 0.088 0.000 1.052 253 V CA 0.329 62.731 62.300 0.171 0.000 0.885 253 V CB 0.862 32.781 31.823 0.160 0.000 0.999 253 V HN 1.143 nan 8.190 nan 0.000 0.424 254 G N 3.438 112.217 108.800 -0.035 0.000 2.782 254 G HA2 -0.200 3.761 3.960 0.001 0.000 0.228 254 G HA3 -0.200 3.761 3.960 0.001 0.000 0.228 254 G C -0.805 174.031 174.900 -0.106 0.000 1.372 254 G CA -0.563 44.455 45.100 -0.138 0.000 0.862 254 G HN 0.724 nan 8.290 nan 0.000 0.547 255 Y N 0.989 121.329 120.300 0.067 0.000 2.610 255 Y HA 0.326 4.876 4.550 0.001 0.000 0.332 255 Y C 1.919 177.861 175.900 0.069 0.000 1.201 255 Y CA 1.600 59.739 58.100 0.065 0.000 1.465 255 Y CB 0.736 39.236 38.460 0.067 0.000 1.283 255 Y HN 2.117 nan 8.280 nan 0.000 0.563 256 G N 1.446 110.382 108.800 0.228 0.000 2.184 256 G HA2 -0.199 3.761 3.960 0.001 0.000 0.264 256 G HA3 -0.199 3.761 3.960 0.001 0.000 0.264 256 G C 1.075 176.044 174.900 0.115 0.000 0.975 256 G CA 0.448 45.637 45.100 0.148 0.000 0.642 256 G HN 1.805 nan 8.290 nan 0.000 0.536 257 G N -1.096 107.772 108.800 0.114 0.000 2.321 257 G HA2 -0.197 3.764 3.960 0.001 0.000 0.287 257 G HA3 -0.197 3.764 3.960 0.001 0.000 0.287 257 G C 1.188 176.157 174.900 0.115 0.000 1.018 257 G CA 1.591 46.752 45.100 0.101 0.000 0.855 257 G HN 1.461 nan 8.290 nan 0.000 0.507 258 T N -1.775 112.866 114.554 0.144 0.000 2.802 258 T HA -0.116 4.235 4.350 0.001 0.000 0.269 258 T C 0.755 175.588 174.700 0.221 0.000 1.062 258 T CA 1.815 64.011 62.100 0.160 0.000 1.133 258 T CB 0.022 68.990 68.868 0.166 0.000 0.852 258 T HN 0.636 nan 8.240 nan 0.000 0.485 259 W N 0.741 122.061 121.300 0.033 0.000 2.739 259 W HA 0.545 5.205 4.660 0.001 0.000 0.331 259 W C -1.929 174.617 176.519 0.045 0.000 1.049 259 W CA -0.963 56.400 57.345 0.031 0.000 1.234 259 W CB 1.366 30.837 29.460 0.017 0.000 1.404 259 W HN -0.344 nan 8.180 nan 0.000 0.477 260 V N 5.004 124.484 119.914 -0.724 0.000 2.495 260 V HA 0.385 4.505 4.120 0.001 0.000 0.298 260 V C 0.033 175.393 176.094 -1.223 0.000 1.031 260 V CA -0.917 60.982 62.300 -0.668 0.000 0.871 260 V CB 1.459 33.080 31.823 -0.336 0.000 0.988 260 V HN 0.531 nan 8.190 nan 0.000 0.432 261 S N 2.382 117.545 115.700 -0.895 0.000 2.548 261 S HA 0.235 4.706 4.470 0.001 0.000 0.277 261 S C 0.798 175.220 174.600 -0.296 0.000 1.315 261 S CA -0.343 57.471 58.200 -0.643 0.000 1.050 261 S CB 0.664 63.883 63.200 0.032 0.000 0.918 261 S HN 0.828 nan 8.310 nan 0.000 0.497 262 E N 2.290 122.376 120.200 -0.191 0.000 2.463 262 E HA 0.116 4.466 4.350 0.001 0.000 0.193 262 E C -0.163 176.414 176.600 -0.038 0.000 1.041 262 E CA -0.058 56.279 56.400 -0.104 0.000 0.879 262 E CB 0.352 30.005 29.700 -0.078 0.000 0.997 262 E HN 0.585 nan 8.360 nan 0.000 0.478 263 R N -0.629 119.871 120.500 -0.001 0.000 2.710 263 R HA 0.327 4.668 4.340 0.001 0.000 0.270 263 R C -1.523 174.810 176.300 0.055 0.000 1.021 263 R CA -0.930 55.186 56.100 0.027 0.000 0.889 263 R CB 0.183 30.512 30.300 0.048 0.000 1.243 263 R HN -0.297 nan 8.270 nan 0.000 0.464 264 D N 0.446 120.867 120.400 0.036 0.000 2.424 264 D HA 0.401 5.041 4.640 0.001 0.000 0.244 264 D C -0.295 176.058 176.300 0.088 0.000 1.134 264 D CA 0.651 54.678 54.000 0.044 0.000 0.881 264 D CB 1.419 42.231 40.800 0.020 0.000 1.191 264 D HN 0.568 nan 8.370 nan 0.000 0.445 265 T N 1.209 115.844 114.554 0.134 0.000 2.671 265 T HA 0.531 4.881 4.350 0.001 0.000 0.300 265 T C -1.299 173.478 174.700 0.129 0.000 1.238 265 T CA -0.736 61.444 62.100 0.133 0.000 1.020 265 T CB 0.969 69.944 68.868 0.180 0.000 1.503 265 T HN 0.264 nan 8.240 nan 0.000 0.497 266 R N 1.073 121.624 120.500 0.085 0.000 2.599 266 R HA 0.702 5.042 4.340 0.001 0.000 0.295 266 R C -0.953 175.355 176.300 0.013 0.000 0.963 266 R CA -0.728 55.404 56.100 0.054 0.000 0.883 266 R CB 1.602 31.918 30.300 0.026 0.000 1.171 266 R HN 0.435 nan 8.270 nan 0.000 0.450 267 L N 1.041 122.254 121.223 -0.016 0.000 2.331 267 L HA 0.652 4.993 4.340 0.001 0.000 0.275 267 L C 0.593 177.413 176.870 -0.083 0.000 1.022 267 L CA -0.909 53.877 54.840 -0.090 0.000 0.812 267 L CB 2.018 43.980 42.059 -0.161 0.000 1.257 267 L HN 0.702 nan 8.230 nan 0.000 0.435 268 G N 1.110 109.844 108.800 -0.109 0.000 2.416 268 G HA2 0.597 4.557 3.960 0.001 0.000 0.329 268 G HA3 0.597 4.557 3.960 0.001 0.000 0.329 268 G C -1.155 173.675 174.900 -0.116 0.000 1.173 268 G CA -0.358 44.684 45.100 -0.097 0.000 0.929 268 G HN 0.275 nan 8.290 nan 0.000 0.475 269 V N 2.312 122.165 119.914 -0.101 0.000 2.384 269 V HA 0.362 4.483 4.120 0.001 0.000 0.287 269 V C 0.040 176.068 176.094 -0.110 0.000 1.020 269 V CA -0.662 61.572 62.300 -0.109 0.000 0.850 269 V CB 1.369 33.136 31.823 -0.093 0.000 0.987 269 V HN 0.554 nan 8.190 nan 0.000 0.436 270 V N 3.653 123.488 119.914 -0.132 0.000 2.481 270 V HA 0.531 4.652 4.120 0.001 0.000 0.286 270 V C 0.860 176.872 176.094 -0.136 0.000 1.042 270 V CA -0.494 61.721 62.300 -0.141 0.000 0.928 270 V CB 1.668 33.382 31.823 -0.182 0.000 0.986 270 V HN 0.964 nan 8.190 nan 0.000 0.462 271 A N 5.804 128.551 122.820 -0.122 0.000 3.037 271 A HA 0.626 4.947 4.320 0.001 0.000 0.272 271 A C -0.150 177.356 177.584 -0.131 0.000 1.723 271 A CA 0.120 52.090 52.037 -0.112 0.000 1.413 271 A CB -0.836 18.109 19.000 -0.092 0.000 1.112 271 A HN 0.825 nan 8.150 nan 0.000 0.606 272 M N 0.825 120.334 119.600 -0.152 0.000 2.414 272 M HA 0.641 5.122 4.480 0.001 0.000 0.287 272 M C -0.435 175.770 176.300 -0.158 0.000 1.181 272 M CA 0.180 55.380 55.300 -0.168 0.000 0.933 272 M CB 1.665 34.115 32.600 -0.248 0.000 1.732 272 M HN 0.628 nan 8.290 nan 0.000 0.486 273 G N 1.902 110.642 108.800 -0.100 0.000 2.619 273 G HA2 0.376 4.337 3.960 0.001 0.000 0.305 273 G HA3 0.376 4.337 3.960 0.001 0.000 0.305 273 G C -0.780 174.137 174.900 0.027 0.000 1.330 273 G CA -0.070 44.976 45.100 -0.091 0.000 0.789 273 G HN 0.988 nan 8.290 nan 0.000 0.487 274 Y N -0.937 119.434 120.300 0.118 0.000 2.571 274 Y HA 0.268 4.819 4.550 0.001 0.000 0.294 274 Y C 2.073 178.012 175.900 0.065 0.000 1.141 274 Y CA 0.697 58.862 58.100 0.108 0.000 1.308 274 Y CB -0.170 38.344 38.460 0.089 0.000 1.002 274 Y HN 0.456 nan 8.280 nan 0.000 0.551 275 G N 0.243 108.977 108.800 -0.110 0.000 2.679 275 G HA2 -0.105 3.856 3.960 0.001 0.000 0.212 275 G HA3 -0.105 3.856 3.960 0.001 0.000 0.212 275 G C 1.024 175.928 174.900 0.007 0.000 1.137 275 G CA 0.742 45.822 45.100 -0.033 0.000 0.787 275 G HN 0.450 nan 8.290 nan 0.000 0.534 276 D N -0.715 119.697 120.400 0.020 0.000 2.454 276 D HA 0.173 4.813 4.640 0.001 0.000 0.214 276 D C 1.865 178.199 176.300 0.057 0.000 1.088 276 D CA 0.919 54.929 54.000 0.017 0.000 0.855 276 D CB 0.998 41.789 40.800 -0.016 0.000 1.025 276 D HN 0.376 nan 8.370 nan 0.000 0.502 277 G N 0.772 109.644 108.800 0.119 0.000 2.260 277 G HA2 -0.228 3.733 3.960 0.001 0.000 0.179 277 G HA3 -0.228 3.733 3.960 0.001 0.000 0.179 277 G C -0.087 174.923 174.900 0.183 0.000 1.002 277 G CA -0.522 44.658 45.100 0.134 0.000 0.677 277 G HN 0.277 nan 8.290 nan 0.000 0.486 278 Y N 4.293 124.660 120.300 0.110 0.000 2.442 278 Y HA 0.454 5.005 4.550 0.001 0.000 0.330 278 Y C -1.574 174.441 175.900 0.192 0.000 1.129 278 Y CA -1.360 56.830 58.100 0.151 0.000 1.365 278 Y CB 0.836 39.337 38.460 0.068 0.000 1.233 278 Y HN 0.080 nan 8.280 nan 0.000 0.529 279 P HA -0.062 nan 4.420 nan 0.000 0.262 279 P C 0.002 177.374 177.300 0.120 0.000 1.199 279 P CA 0.319 63.382 63.100 -0.061 0.000 0.763 279 P CB 0.702 32.292 31.700 -0.183 0.000 0.790 280 R N 4.012 124.587 120.500 0.126 0.000 2.189 280 R HA -0.086 4.254 4.340 0.001 0.000 0.223 280 R C 1.867 178.221 176.300 0.090 0.000 1.092 280 R CA 1.314 57.502 56.100 0.146 0.000 0.989 280 R CB -0.458 29.778 30.300 -0.107 0.000 0.876 280 R HN 0.491 nan 8.270 nan 0.000 0.457 281 A N 0.742 123.584 122.820 0.036 0.000 2.209 281 A HA 0.183 4.503 4.320 0.001 0.000 0.212 281 A C 0.949 178.566 177.584 0.055 0.000 1.158 281 A CA 0.666 52.719 52.037 0.027 0.000 0.742 281 A CB -0.315 18.682 19.000 -0.005 0.000 0.790 281 A HN 0.420 nan 8.150 nan 0.000 0.472 282 A N 1.882 124.758 122.820 0.093 0.000 2.537 282 A HA 0.446 4.767 4.320 0.001 0.000 0.260 282 A C -1.873 175.780 177.584 0.116 0.000 1.082 282 A CA -0.756 51.358 52.037 0.128 0.000 0.765 282 A CB -0.273 18.898 19.000 0.285 0.000 1.019 282 A HN 0.389 nan 8.150 nan 0.000 0.507 283 P HA 0.213 nan 4.420 nan 0.000 0.278 283 P C -0.198 177.137 177.300 0.058 0.000 1.258 283 P CA -0.478 62.667 63.100 0.074 0.000 0.811 283 P CB 0.812 32.551 31.700 0.065 0.000 1.063 284 S N -0.304 115.426 115.700 0.050 0.000 2.552 284 S HA 0.353 4.824 4.470 0.001 0.000 0.289 284 S C 1.464 176.069 174.600 0.008 0.000 1.304 284 S CA 1.240 59.432 58.200 -0.013 0.000 1.063 284 S CB -0.436 62.787 63.200 0.039 0.000 0.848 284 S HN 0.937 nan 8.310 nan 0.000 0.499 285 G N 2.437 111.213 108.800 -0.039 0.000 2.259 285 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 285 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 285 G C 0.248 175.156 174.900 0.013 0.000 1.001 285 G CA -0.059 45.041 45.100 0.001 0.000 0.627 285 G HN 0.748 nan 8.290 nan 0.000 0.501 286 T N 5.008 119.579 114.554 0.029 0.000 2.908 286 T HA 0.438 4.789 4.350 0.001 0.000 0.301 286 T C -1.809 172.923 174.700 0.052 0.000 1.019 286 T CA 0.453 62.592 62.100 0.065 0.000 1.152 286 T CB 1.527 70.469 68.868 0.124 0.000 0.966 286 T HN 0.349 nan 8.240 nan 0.000 0.540 287 P HA 0.400 nan 4.420 nan 0.000 0.279 287 P C -0.901 176.440 177.300 0.068 0.000 1.239 287 P CA -0.407 62.723 63.100 0.050 0.000 0.789 287 P CB 1.207 32.939 31.700 0.053 0.000 0.933 288 V N 3.915 123.842 119.914 0.022 0.000 2.971 288 V HA 0.484 4.604 4.120 0.001 0.000 0.309 288 V C -1.579 174.508 176.094 -0.011 0.000 1.130 288 V CA -1.116 61.187 62.300 0.005 0.000 0.964 288 V CB 2.098 33.883 31.823 -0.063 0.000 1.029 288 V HN 0.294 nan 8.190 nan 0.000 0.427 289 L N 5.522 126.739 121.223 -0.010 0.000 2.272 289 L HA 0.667 5.007 4.340 0.001 0.000 0.289 289 L C -0.741 176.107 176.870 -0.036 0.000 1.032 289 L CA -0.811 54.020 54.840 -0.015 0.000 0.810 289 L CB 1.696 43.755 42.059 0.000 0.000 1.205 289 L HN 0.504 nan 8.230 nan 0.000 0.422 290 V N 3.634 123.525 119.914 -0.038 0.000 2.378 290 V HA 0.283 4.404 4.120 0.001 0.000 0.288 290 V C 0.249 176.323 176.094 -0.033 0.000 1.016 290 V CA -0.671 61.602 62.300 -0.045 0.000 0.840 290 V CB 1.278 33.070 31.823 -0.053 0.000 0.994 290 V HN 0.882 nan 8.190 nan 0.000 0.431 291 N N 4.208 122.889 118.700 -0.032 0.000 2.727 291 N HA -0.224 4.517 4.740 0.001 0.000 0.249 291 N C 1.247 176.746 175.510 -0.018 0.000 1.048 291 N CA 1.394 54.430 53.050 -0.024 0.000 0.714 291 N CB -0.920 37.553 38.487 -0.022 0.000 0.959 291 N HN 1.490 nan 8.380 nan 0.000 0.544 292 G N -0.533 108.257 108.800 -0.016 0.000 2.212 292 G HA2 -0.384 3.577 3.960 0.001 0.000 0.266 292 G HA3 -0.384 3.577 3.960 0.001 0.000 0.266 292 G C 0.081 174.977 174.900 -0.005 0.000 0.978 292 G CA 0.999 46.093 45.100 -0.009 0.000 0.632 292 G HN 0.882 nan 8.290 nan 0.000 0.537 293 R N 0.274 120.769 120.500 -0.009 0.000 2.589 293 R HA 0.715 5.056 4.340 0.001 0.000 0.293 293 R C -0.199 176.096 176.300 -0.008 0.000 0.963 293 R CA -0.717 55.379 56.100 -0.006 0.000 0.905 293 R CB 1.583 31.879 30.300 -0.007 0.000 1.144 293 R HN 0.245 nan 8.270 nan 0.000 0.459 294 E N 2.594 122.793 120.200 -0.002 0.000 2.344 294 E HA 0.199 4.549 4.350 0.001 0.000 0.270 294 E C -0.672 175.921 176.600 -0.011 0.000 1.021 294 E CA -0.621 55.779 56.400 -0.001 0.000 0.887 294 E CB 0.990 30.695 29.700 0.009 0.000 0.997 294 E HN 0.490 nan 8.360 nan 0.000 0.429 295 V N 2.083 121.983 119.914 -0.024 0.000 3.007 295 V HA 0.684 4.804 4.120 0.001 0.000 0.311 295 V C -2.646 173.414 176.094 -0.056 0.000 1.120 295 V CA -2.332 59.942 62.300 -0.042 0.000 0.980 295 V CB 1.624 33.411 31.823 -0.060 0.000 1.033 295 V HN 0.643 nan 8.190 nan 0.000 0.429 296 P HA 0.518 nan 4.420 nan 0.000 0.286 296 P C -0.441 176.751 177.300 -0.179 0.000 1.261 296 P CA -0.505 62.534 63.100 -0.101 0.000 0.821 296 P CB 1.738 33.383 31.700 -0.091 0.000 1.013 297 I N 2.220 122.698 120.570 -0.153 0.000 2.588 297 I HA 0.123 4.293 4.170 0.001 0.000 0.283 297 I C 0.547 176.466 176.117 -0.331 0.000 1.119 297 I CA -0.260 60.924 61.300 -0.193 0.000 1.419 297 I CB 1.001 38.950 38.000 -0.085 0.000 1.394 297 I HN 0.167 nan 8.210 nan 0.000 0.562 298 V N 3.079 122.714 119.914 -0.464 0.000 2.525 298 V HA 0.983 5.104 4.120 0.001 0.000 0.299 298 V C -0.010 175.854 176.094 -0.383 0.000 1.034 298 V CA -0.210 61.614 62.300 -0.793 0.000 0.863 298 V CB 0.727 31.532 31.823 -1.698 0.000 0.999 298 V HN 1.142 nan 8.190 nan 0.000 0.423 299 G N 3.972 112.694 108.800 -0.131 0.000 2.756 299 G HA2 -0.126 3.834 3.960 0.001 0.000 0.678 299 G HA3 -0.126 3.834 3.960 0.001 0.000 0.678 299 G C -0.385 174.544 174.900 0.047 0.000 1.349 299 G CA -0.451 44.684 45.100 0.057 0.000 0.847 299 G HN 1.132 nan 8.290 nan 0.000 0.548 300 R N -0.999 119.564 120.500 0.105 0.000 2.679 300 R HA 0.339 4.680 4.340 0.001 0.000 0.268 300 R C 0.622 177.007 176.300 0.142 0.000 1.044 300 R CA -0.339 55.849 56.100 0.147 0.000 1.105 300 R CB 0.579 31.016 30.300 0.228 0.000 0.989 300 R HN 0.417 nan 8.270 nan 0.000 0.447 301 V N 2.865 122.888 119.914 0.181 0.000 2.555 301 V HA 0.231 4.352 4.120 0.001 0.000 0.286 301 V C 0.650 176.918 176.094 0.290 0.000 1.044 301 V CA 0.075 62.492 62.300 0.195 0.000 1.026 301 V CB 1.073 33.070 31.823 0.290 0.000 0.981 301 V HN 0.927 nan 8.190 nan 0.000 0.480 302 A N 4.784 127.705 122.820 0.169 0.000 2.326 302 A HA 0.600 4.921 4.320 0.001 0.000 0.303 302 A C 1.112 178.489 177.584 -0.346 0.000 1.164 302 A CA -0.482 51.647 52.037 0.153 0.000 0.929 302 A CB 0.766 19.868 19.000 0.170 0.000 1.363 302 A HN 0.853 nan 8.150 nan 0.000 0.498 303 M N -0.751 118.460 119.600 -0.647 0.000 2.117 303 M HA -0.130 4.351 4.480 0.001 0.000 0.262 303 M C 0.182 176.179 176.300 -0.506 0.000 1.065 303 M CA 2.331 56.972 55.300 -1.098 0.000 1.114 303 M CB -0.100 32.162 32.600 -0.563 0.000 1.361 303 M HN 0.744 nan 8.290 nan 0.000 0.408 304 D N -1.168 119.075 120.400 -0.261 0.000 2.498 304 D HA 0.235 4.876 4.640 0.001 0.000 0.223 304 D C 0.204 176.425 176.300 -0.132 0.000 1.125 304 D CA 0.324 54.226 54.000 -0.164 0.000 0.835 304 D CB 0.764 41.498 40.800 -0.111 0.000 1.086 304 D HN 0.371 nan 8.370 nan 0.000 0.510 305 M N 0.740 120.266 119.600 -0.123 0.000 2.572 305 M HA 0.513 4.993 4.480 0.001 0.000 0.299 305 M C -1.187 175.046 176.300 -0.113 0.000 1.205 305 M CA -0.620 54.612 55.300 -0.114 0.000 0.876 305 M CB 3.465 36.007 32.600 -0.097 0.000 1.728 305 M HN -0.308 nan 8.290 nan 0.000 0.458 306 I N 0.644 121.129 120.570 -0.141 0.000 2.569 306 I HA 0.401 4.571 4.170 0.001 0.000 0.290 306 I C -1.215 174.804 176.117 -0.164 0.000 1.088 306 I CA -0.628 60.578 61.300 -0.156 0.000 1.047 306 I CB 2.283 40.140 38.000 -0.238 0.000 1.237 306 I HN 0.686 nan 8.210 nan 0.000 0.421 307 C N 5.816 125.016 119.300 -0.168 0.000 2.358 307 C HA 0.763 5.223 4.460 0.001 0.000 0.342 307 C C 0.190 175.036 174.990 -0.240 0.000 1.234 307 C CA -0.543 58.357 59.018 -0.197 0.000 1.969 307 C CB 1.056 28.671 27.740 -0.208 0.000 2.346 307 C HN 0.540 nan 8.230 nan 0.000 0.525 308 V N 0.004 119.778 119.914 -0.234 0.000 3.040 308 V HA 0.658 4.778 4.120 0.001 0.000 0.312 308 V C -1.019 174.925 176.094 -0.249 0.000 1.115 308 V CA -0.481 61.673 62.300 -0.244 0.000 0.998 308 V CB 1.983 33.703 31.823 -0.173 0.000 1.042 308 V HN 0.728 nan 8.190 nan 0.000 0.433 309 D N 1.617 121.863 120.400 -0.257 0.000 2.317 309 D HA 0.483 5.124 4.640 0.001 0.000 0.234 309 D C 0.573 176.819 176.300 -0.090 0.000 1.112 309 D CA -0.168 53.722 54.000 -0.183 0.000 0.840 309 D CB 1.594 42.282 40.800 -0.187 0.000 1.078 309 D HN 0.634 nan 8.370 nan 0.000 0.486 310 L N 2.577 123.767 121.223 -0.055 0.000 2.408 310 L HA 0.375 4.715 4.340 0.001 0.000 0.215 310 L C 1.299 178.167 176.870 -0.004 0.000 1.081 310 L CA 0.310 55.130 54.840 -0.032 0.000 0.840 310 L CB -0.162 41.878 42.059 -0.033 0.000 1.002 310 L HN 0.632 nan 8.230 nan 0.000 0.468 311 G N -0.423 108.387 108.800 0.018 0.000 2.484 311 G HA2 -0.094 3.867 3.960 0.001 0.000 0.685 311 G HA3 -0.094 3.867 3.960 0.001 0.000 0.685 311 G C -2.609 172.313 174.900 0.038 0.000 1.294 311 G CA -0.588 44.533 45.100 0.034 0.000 0.879 311 G HN -0.231 nan 8.290 nan 0.000 0.646 312 P HA -0.029 nan 4.420 nan 0.000 0.220 312 P C 1.008 178.325 177.300 0.029 0.000 1.148 312 P CA 1.417 64.542 63.100 0.042 0.000 0.803 312 P CB 0.316 32.039 31.700 0.039 0.000 0.782 313 Q N -1.929 117.884 119.800 0.021 0.000 2.115 313 Q HA 0.432 4.773 4.340 0.001 0.000 0.249 313 Q C 1.432 177.438 176.000 0.009 0.000 0.830 313 Q CA -0.224 55.587 55.803 0.014 0.000 1.104 313 Q CB -0.358 28.387 28.738 0.012 0.000 1.207 313 Q HN -0.040 nan 8.270 nan 0.000 0.464 314 A N 0.821 123.646 122.820 0.008 0.000 1.944 314 A HA -0.382 3.939 4.320 0.001 0.000 0.222 314 A C 1.144 178.725 177.584 -0.004 0.000 1.237 314 A CA 2.306 54.343 52.037 0.001 0.000 0.668 314 A CB -0.251 18.747 19.000 -0.003 0.000 0.830 314 A HN 0.641 nan 8.150 nan 0.000 0.471 315 Q N -2.535 117.263 119.800 -0.004 0.000 2.311 315 Q HA -0.170 4.171 4.340 0.001 0.000 0.178 315 Q C -0.845 175.148 176.000 -0.011 0.000 0.596 315 Q CA 1.053 56.852 55.803 -0.006 0.000 1.377 315 Q CB -1.761 26.974 28.738 -0.005 0.000 1.372 315 Q HN 0.841 nan 8.270 nan 0.000 0.896 316 D N 1.599 121.990 120.400 -0.015 0.000 2.399 316 D HA 0.172 4.812 4.640 0.001 0.000 0.241 316 D C 0.372 176.659 176.300 -0.022 0.000 1.133 316 D CA 0.633 54.620 54.000 -0.021 0.000 0.890 316 D CB 0.711 41.494 40.800 -0.028 0.000 1.201 316 D HN 0.029 nan 8.370 nan 0.000 0.432 317 K N 0.203 120.588 120.400 -0.025 0.000 2.395 317 K HA 0.558 4.878 4.320 0.001 0.000 0.247 317 K C -0.638 175.943 176.600 -0.030 0.000 0.973 317 K CA -0.953 55.319 56.287 -0.024 0.000 0.828 317 K CB 2.149 34.637 32.500 -0.020 0.000 1.272 317 K HN 0.423 nan 8.250 nan 0.000 0.439 318 A N 0.082 122.883 122.820 -0.030 0.000 2.531 318 A HA 0.409 4.730 4.320 0.001 0.000 0.236 318 A C 1.160 178.723 177.584 -0.034 0.000 1.062 318 A CA 1.400 53.416 52.037 -0.035 0.000 0.760 318 A CB -0.668 18.313 19.000 -0.032 0.000 0.995 318 A HN 0.978 nan 8.150 nan 0.000 0.501 319 G N 1.642 110.419 108.800 -0.039 0.000 2.232 319 G HA2 -0.174 3.786 3.960 0.001 0.000 0.226 319 G HA3 -0.174 3.786 3.960 0.001 0.000 0.226 319 G C -0.047 174.829 174.900 -0.039 0.000 0.996 319 G CA 0.246 45.324 45.100 -0.037 0.000 0.626 319 G HN 0.815 nan 8.290 nan 0.000 0.509 320 D N 2.761 123.137 120.400 -0.040 0.000 2.372 320 D HA 0.429 5.070 4.640 0.001 0.000 0.243 320 D C -1.794 174.477 176.300 -0.048 0.000 1.121 320 D CA -0.900 53.076 54.000 -0.040 0.000 0.898 320 D CB 1.060 41.838 40.800 -0.037 0.000 1.202 320 D HN 0.234 nan 8.370 nan 0.000 0.428 321 P HA 0.046 nan 4.420 nan 0.000 0.271 321 P C -0.672 176.592 177.300 -0.060 0.000 1.216 321 P CA -0.166 62.903 63.100 -0.052 0.000 0.771 321 P CB 0.798 32.472 31.700 -0.043 0.000 0.864 322 V N 5.228 125.097 119.914 -0.075 0.000 2.656 322 V HA 0.418 4.538 4.120 0.001 0.000 0.307 322 V C 0.369 176.406 176.094 -0.095 0.000 1.051 322 V CA -0.663 61.586 62.300 -0.086 0.000 0.893 322 V CB 2.101 33.858 31.823 -0.111 0.000 0.999 322 V HN 0.401 nan 8.190 nan 0.000 0.426 323 I N 5.093 125.617 120.570 -0.076 0.000 2.382 323 I HA 0.258 4.429 4.170 0.001 0.000 0.285 323 I C 0.475 176.559 176.117 -0.054 0.000 1.007 323 I CA -0.499 60.759 61.300 -0.070 0.000 1.142 323 I CB 1.824 39.809 38.000 -0.025 0.000 1.289 323 I HN 0.453 nan 8.210 nan 0.000 0.453 324 L N 5.597 126.750 121.223 -0.118 0.000 2.179 324 L HA 0.055 4.395 4.340 0.001 0.000 0.208 324 L C -0.076 176.931 176.870 0.228 0.000 1.096 324 L CA 1.373 56.194 54.840 -0.032 0.000 0.779 324 L CB -0.845 41.091 42.059 -0.205 0.000 0.922 324 L HN 0.789 nan 8.230 nan 0.000 0.443 325 W N -2.458 118.881 121.300 0.064 0.000 3.901 325 W HA 0.550 5.211 4.660 0.001 0.000 0.274 325 W C -0.407 176.129 176.519 0.029 0.000 1.278 325 W CA -0.561 56.815 57.345 0.051 0.000 1.235 325 W CB -0.033 29.462 29.460 0.059 0.000 1.261 325 W HN 0.091 nan 8.180 nan 0.000 0.546 326 G N 0.479 109.460 108.800 0.301 0.000 2.513 326 G HA2 0.151 4.111 3.960 0.001 0.000 0.182 326 G HA3 0.151 4.111 3.960 0.001 0.000 0.182 326 G C -1.267 173.708 174.900 0.125 0.000 1.190 326 G CA -0.729 44.478 45.100 0.179 0.000 0.987 326 G HN 0.812 nan 8.290 nan 0.000 0.479 327 E N 1.160 121.405 120.200 0.075 0.000 2.491 327 E HA 0.364 4.715 4.350 0.001 0.000 0.250 327 E C 1.247 177.875 176.600 0.046 0.000 1.061 327 E CA 1.379 57.809 56.400 0.051 0.000 0.942 327 E CB -0.364 29.354 29.700 0.030 0.000 0.957 327 E HN 1.961 nan 8.360 nan 0.000 0.480 328 G N 3.704 112.532 108.800 0.047 0.000 2.176 328 G HA2 -0.247 3.713 3.960 0.001 0.000 0.232 328 G HA3 -0.247 3.713 3.960 0.001 0.000 0.232 328 G C -0.172 174.760 174.900 0.054 0.000 0.986 328 G CA 0.143 45.267 45.100 0.040 0.000 0.643 328 G HN 0.525 nan 8.290 nan 0.000 0.522 329 L N 1.161 122.432 121.223 0.081 0.000 2.549 329 L HA 0.558 4.898 4.340 0.001 0.000 0.260 329 L C -2.532 174.421 176.870 0.138 0.000 1.109 329 L CA -1.833 53.070 54.840 0.106 0.000 0.900 329 L CB 1.440 43.575 42.059 0.127 0.000 1.119 329 L HN -0.113 nan 8.230 nan 0.000 0.471 330 P HA 0.039 nan 4.420 nan 0.000 0.266 330 P C 1.018 178.318 177.300 -0.001 0.000 1.195 330 P CA 0.129 63.262 63.100 0.055 0.000 0.768 330 P CB 1.124 32.841 31.700 0.028 0.000 0.838 331 V N 2.954 122.789 119.914 -0.131 0.000 2.594 331 V HA -0.252 3.869 4.120 0.001 0.000 0.253 331 V C 1.610 177.534 176.094 -0.283 0.000 1.069 331 V CA 2.071 64.102 62.300 -0.449 0.000 1.082 331 V CB -0.905 30.381 31.823 -0.895 0.000 0.680 331 V HN 0.500 nan 8.190 nan 0.000 0.469 332 E N 0.031 120.143 120.200 -0.146 0.000 2.153 332 E HA -0.229 4.121 4.350 0.001 0.000 0.194 332 E C 2.255 178.823 176.600 -0.053 0.000 0.988 332 E CA 1.310 57.661 56.400 -0.083 0.000 0.811 332 E CB -0.320 29.365 29.700 -0.025 0.000 0.746 332 E HN 0.487 nan 8.360 nan 0.000 0.466 333 R N 0.700 121.181 120.500 -0.032 0.000 2.075 333 R HA -0.061 4.279 4.340 0.001 0.000 0.232 333 R C 1.780 178.078 176.300 -0.003 0.000 1.126 333 R CA 1.151 57.250 56.100 -0.001 0.000 0.963 333 R CB -0.406 29.909 30.300 0.025 0.000 0.858 333 R HN 0.114 nan 8.270 nan 0.000 0.435 334 I N 0.819 121.376 120.570 -0.022 0.000 2.252 334 I HA -0.103 4.068 4.170 0.001 0.000 0.245 334 I C 2.251 178.327 176.117 -0.068 0.000 1.102 334 I CA 1.459 62.751 61.300 -0.014 0.000 1.385 334 I CB -1.637 36.349 38.000 -0.023 0.000 1.064 334 I HN 0.276 nan 8.210 nan 0.000 0.414 335 A N 0.488 123.235 122.820 -0.122 0.000 1.892 335 A HA -0.276 4.044 4.320 0.001 0.000 0.218 335 A C 2.400 179.958 177.584 -0.044 0.000 1.188 335 A CA 2.128 54.105 52.037 -0.100 0.000 0.631 335 A CB -0.778 18.164 19.000 -0.096 0.000 0.822 335 A HN 0.541 nan 8.150 nan 0.000 0.447 336 E N -0.974 119.211 120.200 -0.025 0.000 2.031 336 E HA -0.203 4.147 4.350 0.001 0.000 0.193 336 E C 2.044 178.646 176.600 0.004 0.000 0.994 336 E CA 1.508 57.906 56.400 -0.004 0.000 0.800 336 E CB -0.201 29.501 29.700 0.004 0.000 0.752 336 E HN 0.482 nan 8.360 nan 0.000 0.447 337 M N 0.648 120.255 119.600 0.010 0.000 2.159 337 M HA -0.110 4.371 4.480 0.001 0.000 0.263 337 M C 2.491 178.805 176.300 0.024 0.000 1.063 337 M CA 2.014 57.329 55.300 0.025 0.000 1.110 337 M CB -1.173 31.453 32.600 0.042 0.000 1.374 337 M HN 0.268 nan 8.290 nan 0.000 0.411 338 T N -3.389 111.170 114.554 0.009 0.000 3.065 338 T HA 0.124 4.475 4.350 0.001 0.000 0.252 338 T C 0.807 175.502 174.700 -0.007 0.000 1.099 338 T CA 0.066 62.168 62.100 0.004 0.000 1.063 338 T CB 0.051 68.907 68.868 -0.021 0.000 0.948 338 T HN 0.427 nan 8.240 nan 0.000 0.506 339 K N 0.049 120.442 120.400 -0.011 0.000 3.230 339 K HA -0.105 4.215 4.320 0.001 0.000 0.285 339 K C -0.699 175.888 176.600 -0.021 0.000 1.196 339 K CA 0.208 56.489 56.287 -0.010 0.000 0.838 339 K CB -2.292 30.207 32.500 -0.002 0.000 1.262 339 K HN 0.380 nan 8.250 nan 0.000 0.492 340 V N 1.143 121.034 119.914 -0.038 0.000 2.435 340 V HA 0.216 4.337 4.120 0.001 0.000 0.290 340 V C 0.677 176.744 176.094 -0.046 0.000 1.030 340 V CA -0.590 61.680 62.300 -0.049 0.000 0.881 340 V CB 1.796 33.573 31.823 -0.078 0.000 0.983 340 V HN 0.307 nan 8.190 nan 0.000 0.445 341 S N 3.579 119.268 115.700 -0.018 0.000 2.549 341 S HA 0.244 4.714 4.470 0.001 0.000 0.286 341 S C 1.480 176.087 174.600 0.012 0.000 1.314 341 S CA 0.126 58.344 58.200 0.029 0.000 1.062 341 S CB 1.107 64.346 63.200 0.065 0.000 0.865 341 S HN 1.037 nan 8.310 nan 0.000 0.498 342 A N 5.047 127.874 122.820 0.011 0.000 1.978 342 A HA -0.060 4.261 4.320 0.001 0.000 0.220 342 A C 1.624 179.176 177.584 -0.053 0.000 1.170 342 A CA 1.582 53.559 52.037 -0.100 0.000 0.636 342 A CB -0.982 17.947 19.000 -0.118 0.000 0.810 342 A HN 0.966 nan 8.150 nan 0.000 0.448 343 Y N -0.388 119.884 120.300 -0.046 0.000 2.128 343 Y HA -0.216 4.334 4.550 0.001 0.000 0.284 343 Y C 2.525 178.368 175.900 -0.094 0.000 1.154 343 Y CA 1.961 60.039 58.100 -0.037 0.000 1.149 343 Y CB -0.283 38.153 38.460 -0.040 0.000 0.976 343 Y HN 0.514 nan 8.280 nan 0.000 0.505 344 E N 0.146 120.396 120.200 0.083 0.000 2.107 344 E HA -0.159 4.192 4.350 0.001 0.000 0.191 344 E C 2.103 178.689 176.600 -0.025 0.000 0.982 344 E CA 0.751 57.153 56.400 0.003 0.000 0.809 344 E CB -0.233 29.459 29.700 -0.013 0.000 0.756 344 E HN 0.427 nan 8.360 nan 0.000 0.459 345 L N 1.286 122.457 121.223 -0.086 0.000 1.990 345 L HA -0.227 4.113 4.340 0.001 0.000 0.213 345 L C 2.762 179.619 176.870 -0.022 0.000 1.072 345 L CA 1.700 56.446 54.840 -0.157 0.000 0.755 345 L CB -0.675 41.092 42.059 -0.487 0.000 0.889 345 L HN 0.396 nan 8.230 nan 0.000 0.432 346 I N -4.152 116.379 120.570 -0.066 0.000 2.617 346 I HA -0.123 4.048 4.170 0.001 0.000 0.256 346 I C 2.061 178.211 176.117 0.056 0.000 1.167 346 I CA 1.239 62.585 61.300 0.076 0.000 1.469 346 I CB -0.523 37.507 38.000 0.049 0.000 1.098 346 I HN 0.089 nan 8.210 nan 0.000 0.436 347 T N 0.570 115.133 114.554 0.015 0.000 2.983 347 T HA 0.028 4.379 4.350 0.001 0.000 0.250 347 T C 1.454 176.153 174.700 -0.001 0.000 1.037 347 T CA 0.405 62.493 62.100 -0.020 0.000 1.142 347 T CB -0.155 68.646 68.868 -0.112 0.000 0.876 347 T HN 0.259 nan 8.240 nan 0.000 0.455 348 R N 1.790 122.298 120.500 0.013 0.000 4.792 348 R HA 0.291 4.631 4.340 0.001 0.000 0.205 348 R C -0.827 175.503 176.300 0.051 0.000 1.875 348 R CA -0.086 56.027 56.100 0.021 0.000 1.588 348 R CB -0.975 29.331 30.300 0.010 0.000 1.401 348 R HN 0.317 nan 8.270 nan 0.000 0.834 349 L N 0.695 121.948 121.223 0.049 0.000 2.344 349 L HA 0.448 4.789 4.340 0.001 0.000 0.272 349 L C 0.871 177.762 176.870 0.034 0.000 1.035 349 L CA -0.948 53.924 54.840 0.053 0.000 0.807 349 L CB 1.876 43.959 42.059 0.040 0.000 1.237 349 L HN 0.340 nan 8.230 nan 0.000 0.442 350 T N -2.841 111.733 114.554 0.033 0.000 2.849 350 T HA 0.144 4.494 4.350 0.001 0.000 0.276 350 T C 1.059 175.767 174.700 0.013 0.000 0.971 350 T CA -0.101 62.015 62.100 0.027 0.000 0.949 350 T CB 1.317 70.204 68.868 0.033 0.000 1.093 350 T HN 0.659 nan 8.240 nan 0.000 0.545 351 S N -0.851 114.857 115.700 0.013 0.000 2.561 351 S HA -0.016 4.455 4.470 0.001 0.000 0.225 351 S C 1.826 176.426 174.600 0.001 0.000 0.977 351 S CA -0.055 58.151 58.200 0.009 0.000 0.926 351 S CB -0.558 62.650 63.200 0.013 0.000 0.769 351 S HN 0.746 nan 8.310 nan 0.000 0.533 352 R N 1.849 122.346 120.500 -0.003 0.000 2.189 352 R HA 0.008 4.349 4.340 0.001 0.000 0.223 352 R C 0.732 177.016 176.300 -0.027 0.000 1.092 352 R CA 0.901 56.992 56.100 -0.014 0.000 0.989 352 R CB -0.505 29.785 30.300 -0.016 0.000 0.876 352 R HN 0.514 nan 8.270 nan 0.000 0.457 353 V N -0.116 119.778 119.914 -0.033 0.000 2.637 353 V HA 0.461 4.582 4.120 0.001 0.000 0.296 353 V C 0.255 176.323 176.094 -0.044 0.000 1.046 353 V CA -0.746 61.523 62.300 -0.053 0.000 1.066 353 V CB 1.017 32.796 31.823 -0.074 0.000 0.968 353 V HN 0.211 nan 8.190 nan 0.000 0.483 354 A N 7.051 129.840 122.820 -0.051 0.000 2.407 354 A HA 0.624 4.944 4.320 0.001 0.000 0.248 354 A C 0.206 177.754 177.584 -0.061 0.000 1.082 354 A CA -0.487 51.526 52.037 -0.041 0.000 0.785 354 A CB 0.129 19.107 19.000 -0.038 0.000 1.020 354 A HN 0.910 nan 8.150 nan 0.000 0.489 355 M N 1.978 121.557 119.600 -0.035 0.000 2.238 355 M HA 0.414 4.895 4.480 0.001 0.000 0.350 355 M C -0.146 176.097 176.300 -0.095 0.000 1.138 355 M CA 0.006 55.256 55.300 -0.083 0.000 1.040 355 M CB 1.029 33.648 32.600 0.031 0.000 1.639 355 M HN 0.778 nan 8.290 nan 0.000 0.451 356 K N 2.794 123.036 120.400 -0.264 0.000 2.427 356 K HA 0.555 4.876 4.320 0.001 0.000 0.252 356 K C -2.094 174.267 176.600 -0.398 0.000 0.931 356 K CA -0.446 55.736 56.287 -0.176 0.000 0.793 356 K CB 1.943 34.382 32.500 -0.100 0.000 1.211 356 K HN 0.547 nan 8.250 nan 0.000 0.426 357 Y N 2.288 122.602 120.300 0.024 0.000 2.364 357 Y HA 0.380 4.931 4.550 0.001 0.000 0.340 357 Y C -0.223 175.695 175.900 0.030 0.000 0.975 357 Y CA -0.898 57.224 58.100 0.036 0.000 1.089 357 Y CB 2.093 40.576 38.460 0.039 0.000 1.192 357 Y HN 0.274 nan 8.280 nan 0.000 0.454 358 V N -0.271 119.723 119.914 0.133 0.000 2.680 358 V HA 0.753 4.873 4.120 0.001 0.000 0.309 358 V C -0.648 175.503 176.094 0.094 0.000 1.052 358 V CA -1.166 61.188 62.300 0.090 0.000 0.908 358 V CB 1.394 33.244 31.823 0.045 0.000 1.001 358 V HN 0.969 nan 8.190 nan 0.000 0.431 359 D N 0.000 120.444 120.400 0.073 0.000 6.856 359 D HA 0.000 4.641 4.640 0.001 0.000 0.175 359 D CA 0.000 54.036 54.000 0.060 0.000 0.868 359 D CB 0.000 40.827 40.800 0.044 0.000 0.688 359 D HN 0.000 nan 8.370 nan 0.000 0.683