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 1pta_1_A DATA FIRST_RESID 36 DATA SEQUENCE RINTVRGPIT ISEAGFTLTH EHICGSSAGF LRAWPEFFGS RKALAEKAVR DATA SEQUENCE GLRRARAAGV RTIVDVSTFD IGRDVSLLAE VSRAADVHIV AATGLWFDPP DATA SEQUENCE LSMRLRSVEE LTQFFLREIQ YGIEDTGIRA GIIKVATTGK ATPFQELVLK DATA SEQUENCE AAARASLATG VPVTTHTAAS QRDGEQQAAI FESEGLSPSR VCIGHSDDTD DATA SEQUENCE DLSYLTALAA RGYLIGLDHI PHSAIXXXXX XXXXALLGIR SWQTRALLIK DATA SEQUENCE ALIDQGYMKQ ILVSNDWLFG FSSYVTNIMD VMDRVNPDGM AFIPLRVIPF DATA SEQUENCE LREKGVPQET LAGITVTNPA RFLSPTL 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 36 R HA 0.000 nan 4.340 nan 0.000 0.208 36 R C 0.000 176.258 176.300 -0.070 0.000 0.893 36 R CA 0.000 56.065 56.100 -0.059 0.000 0.921 36 R CB 0.000 30.269 30.300 -0.051 0.000 0.687 37 I N 2.321 122.843 120.570 -0.081 0.000 2.412 37 I HA 0.290 4.460 4.170 -0.000 0.000 0.296 37 I C -0.131 175.936 176.117 -0.083 0.000 0.987 37 I CA -0.926 60.322 61.300 -0.087 0.000 1.180 37 I CB 1.607 39.551 38.000 -0.093 0.000 1.340 37 I HN 0.291 nan 8.210 nan 0.000 0.455 38 N N 4.335 122.990 118.700 -0.074 0.000 2.430 38 N HA 0.251 4.991 4.740 -0.000 0.000 0.265 38 N C -0.149 175.331 175.510 -0.050 0.000 1.100 38 N CA -0.090 52.924 53.050 -0.060 0.000 0.961 38 N CB 1.318 39.773 38.487 -0.054 0.000 1.075 38 N HN 0.701 nan 8.380 nan 0.000 0.478 39 T N -2.993 111.538 114.554 -0.040 0.000 2.938 39 T HA 0.314 4.664 4.350 -0.000 0.000 0.285 39 T C 1.427 176.130 174.700 0.005 0.000 1.028 39 T CA -0.822 61.271 62.100 -0.011 0.000 1.005 39 T CB 0.783 69.655 68.868 0.005 0.000 1.157 39 T HN 0.125 nan 8.240 nan 0.000 0.550 40 V N -0.999 118.931 119.914 0.027 0.000 3.078 40 V HA 0.193 4.313 4.120 -0.000 0.000 0.265 40 V C 1.696 177.804 176.094 0.024 0.000 1.122 40 V CA 0.779 63.094 62.300 0.025 0.000 1.141 40 V CB -1.287 30.557 31.823 0.035 0.000 0.735 40 V HN 0.839 nan 8.190 nan 0.000 0.498 41 R N 0.654 121.174 120.500 0.033 0.000 2.508 41 R HA 0.566 4.906 4.340 -0.000 0.000 0.300 41 R C 0.809 177.119 176.300 0.017 0.000 0.970 41 R CA 0.473 56.591 56.100 0.031 0.000 1.102 41 R CB 1.053 31.386 30.300 0.054 0.000 1.246 41 R HN 0.689 nan 8.270 nan 0.000 0.539 42 G N 1.615 110.416 108.800 0.002 0.000 2.353 42 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.615 42 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.615 42 G C -3.127 171.752 174.900 -0.035 0.000 1.280 42 G CA -1.290 43.800 45.100 -0.016 0.000 1.000 42 G HN -0.169 nan 8.290 nan 0.000 0.516 43 P HA 0.573 nan 4.420 nan 0.000 0.275 43 P C -0.018 177.236 177.300 -0.076 0.000 1.227 43 P CA -0.099 62.964 63.100 -0.061 0.000 0.781 43 P CB 0.941 32.611 31.700 -0.050 0.000 0.906 44 I N -1.080 119.424 120.570 -0.111 0.000 3.042 44 I HA 0.674 4.844 4.170 -0.000 0.000 0.310 44 I C -0.129 175.921 176.117 -0.113 0.000 1.117 44 I CA -1.071 60.144 61.300 -0.142 0.000 1.003 44 I CB 2.429 40.249 38.000 -0.299 0.000 1.228 44 I HN 0.242 nan 8.210 nan 0.000 0.443 45 T N 0.439 114.937 114.554 -0.092 0.000 2.913 45 T HA 0.448 4.798 4.350 -0.000 0.000 0.287 45 T C 1.077 175.737 174.700 -0.067 0.000 1.008 45 T CA -0.532 61.530 62.100 -0.065 0.000 1.067 45 T CB 1.424 70.269 68.868 -0.039 0.000 0.996 45 T HN 0.635 nan 8.240 nan 0.000 0.513 46 I N 1.725 122.265 120.570 -0.049 0.000 2.194 46 I HA -0.248 3.922 4.170 -0.000 0.000 0.246 46 I C 2.828 178.934 176.117 -0.019 0.000 1.093 46 I CA 1.992 63.270 61.300 -0.036 0.000 1.355 46 I CB -0.449 37.535 38.000 -0.027 0.000 1.046 46 I HN 0.888 nan 8.210 nan 0.000 0.413 47 S N -0.284 115.409 115.700 -0.012 0.000 2.474 47 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 47 S C 1.669 176.280 174.600 0.019 0.000 0.997 47 S CA 0.768 58.971 58.200 0.005 0.000 0.949 47 S CB -0.378 62.825 63.200 0.005 0.000 0.766 47 S HN 0.503 nan 8.310 nan 0.000 0.517 48 E N 1.745 121.947 120.200 0.003 0.000 2.152 48 E HA 0.065 4.415 4.350 -0.000 0.000 0.192 48 E C 2.369 179.012 176.600 0.072 0.000 0.983 48 E CA 0.739 57.157 56.400 0.031 0.000 0.818 48 E CB -0.420 29.261 29.700 -0.032 0.000 0.758 48 E HN 0.659 nan 8.360 nan 0.000 0.467 49 A N 1.376 124.207 122.820 0.018 0.000 1.884 49 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 49 A C 1.653 179.322 177.584 0.143 0.000 1.197 49 A CA 1.799 53.877 52.037 0.068 0.000 0.637 49 A CB -1.383 17.629 19.000 0.019 0.000 0.827 49 A HN 0.395 nan 8.150 nan 0.000 0.450 50 G N -1.864 107.003 108.800 0.111 0.000 2.601 50 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.261 50 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.261 50 G C -0.007 174.999 174.900 0.177 0.000 1.289 50 G CA 0.045 45.229 45.100 0.139 0.000 0.920 50 G HN 1.305 nan 8.290 nan 0.000 0.571 51 F N 2.677 122.654 119.950 0.046 0.000 2.557 51 F HA 0.491 5.018 4.527 -0.000 0.000 0.384 51 F C 0.944 176.775 175.800 0.052 0.000 1.057 51 F CA 0.632 58.657 58.000 0.042 0.000 1.169 51 F CB 0.175 39.195 39.000 0.034 0.000 1.070 51 F HN 0.484 nan 8.300 nan 0.000 0.554 52 T N 7.830 122.564 114.554 0.300 0.000 2.824 52 T HA 0.485 4.835 4.350 -0.000 0.000 0.282 52 T C -0.303 174.543 174.700 0.244 0.000 0.993 52 T CA -0.652 61.599 62.100 0.253 0.000 0.967 52 T CB 1.194 70.135 68.868 0.121 0.000 0.960 52 T HN 0.394 nan 8.240 nan 0.000 0.441 53 L N 3.759 125.140 121.223 0.263 0.000 2.289 53 L HA 0.580 4.919 4.340 -0.000 0.000 0.285 53 L C 0.932 177.895 176.870 0.156 0.000 1.049 53 L CA -0.704 54.275 54.840 0.232 0.000 0.804 53 L CB 1.410 43.600 42.059 0.218 0.000 1.195 53 L HN 0.769 nan 8.230 nan 0.000 0.428 54 T N -2.109 112.544 114.554 0.166 0.000 2.950 54 T HA 0.406 4.756 4.350 -0.000 0.000 0.288 54 T C -0.087 174.732 174.700 0.199 0.000 1.035 54 T CA -0.644 61.512 62.100 0.093 0.000 1.028 54 T CB 1.104 70.004 68.868 0.053 0.000 1.109 54 T HN 0.747 nan 8.240 nan 0.000 0.514 55 H N -1.042 118.091 119.070 0.104 0.000 2.756 55 H HA -0.083 4.473 4.556 -0.000 0.000 0.315 55 H C -0.056 175.303 175.328 0.052 0.000 1.210 55 H CA 0.867 56.973 56.048 0.096 0.000 1.150 55 H CB -1.555 28.308 29.762 0.168 0.000 1.463 55 H HN 0.586 nan 8.280 nan 0.000 0.427 56 E N 0.742 120.976 120.200 0.056 0.000 2.239 56 E HA 0.392 4.741 4.350 -0.000 0.000 0.261 56 E C 0.201 176.724 176.600 -0.128 0.000 1.016 56 E CA -0.679 55.749 56.400 0.047 0.000 0.882 56 E CB 1.197 30.955 29.700 0.098 0.000 1.190 56 E HN 0.408 nan 8.360 nan 0.000 0.415 57 H N 1.519 120.716 119.070 0.212 0.000 2.953 57 H HA 0.285 4.841 4.556 -0.000 0.000 0.290 57 H C 1.016 176.426 175.328 0.136 0.000 1.113 57 H CA -0.142 56.027 56.048 0.202 0.000 1.454 57 H CB 0.519 30.467 29.762 0.309 0.000 1.525 57 H HN 0.382 nan 8.280 nan 0.000 0.505 58 I N 0.119 120.797 120.570 0.180 0.000 2.252 58 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 58 I C 1.148 177.315 176.117 0.083 0.000 1.102 58 I CA 1.352 62.719 61.300 0.111 0.000 1.385 58 I CB 0.343 38.389 38.000 0.077 0.000 1.064 58 I HN 0.348 nan 8.210 nan 0.000 0.414 59 C N -1.452 117.901 119.300 0.088 0.000 3.299 59 C HA 0.609 5.069 4.460 -0.000 0.000 0.366 59 C C 1.262 176.258 174.990 0.009 0.000 3.078 59 C CA 0.114 59.147 59.018 0.026 0.000 1.335 59 C CB 0.994 28.740 27.740 0.010 0.000 3.510 59 C HN 0.664 nan 8.230 nan 0.000 0.476 60 G N 0.999 109.764 108.800 -0.059 0.000 2.184 60 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.264 60 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.264 60 G C 1.012 175.751 174.900 -0.268 0.000 0.975 60 G CA 1.040 46.080 45.100 -0.099 0.000 0.642 60 G HN 0.794 nan 8.290 nan 0.000 0.536 61 S N 0.276 115.695 115.700 -0.468 0.000 2.440 61 S HA -0.127 4.343 4.470 -0.000 0.000 0.240 61 S C 2.539 176.759 174.600 -0.632 0.000 1.014 61 S CA 2.171 59.812 58.200 -0.932 0.000 0.980 61 S CB -0.236 62.568 63.200 -0.660 0.000 0.775 61 S HN 1.497 nan 8.310 nan 0.000 0.499 62 S N 0.798 116.218 115.700 -0.465 0.000 2.522 62 S HA 0.361 4.831 4.470 -0.000 0.000 0.227 62 S C 1.004 175.418 174.600 -0.309 0.000 0.986 62 S CA 0.808 58.642 58.200 -0.611 0.000 0.929 62 S CB -0.407 62.259 63.200 -0.889 0.000 0.769 62 S HN 1.054 nan 8.310 nan 0.000 0.529 63 A N 0.050 122.753 122.820 -0.195 0.000 2.739 63 A HA 0.143 4.463 4.320 -0.000 0.000 0.296 63 A C 1.647 179.188 177.584 -0.073 0.000 1.488 63 A CA 0.921 52.914 52.037 -0.073 0.000 0.746 63 A CB -2.319 16.692 19.000 0.019 0.000 1.047 63 A HN 2.221 nan 8.150 nan 0.000 0.477 64 G N -2.839 105.877 108.800 -0.140 0.000 2.234 64 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 64 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 64 G C 0.672 175.464 174.900 -0.179 0.000 0.987 64 G CA 0.812 45.810 45.100 -0.170 0.000 0.625 64 G HN 1.308 nan 8.290 nan 0.000 0.532 65 F N 1.264 121.075 119.950 -0.232 0.000 2.546 65 F HA 0.141 4.668 4.527 -0.000 0.000 0.298 65 F C 2.677 178.451 175.800 -0.044 0.000 1.120 65 F CA 1.541 59.453 58.000 -0.147 0.000 1.456 65 F CB -0.113 38.788 39.000 -0.166 0.000 1.088 65 F HN 0.441 nan 8.300 nan 0.000 0.572 66 L N -1.287 119.922 121.223 -0.023 0.000 2.376 66 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 66 L C 2.118 179.072 176.870 0.140 0.000 1.133 66 L CA 1.142 56.059 54.840 0.129 0.000 0.816 66 L CB -0.497 41.584 42.059 0.038 0.000 0.933 66 L HN -0.029 nan 8.230 nan 0.000 0.449 67 R N 0.956 121.489 120.500 0.056 0.000 2.119 67 R HA 0.101 4.441 4.340 -0.000 0.000 0.222 67 R C 2.338 178.686 176.300 0.079 0.000 1.088 67 R CA 1.105 57.229 56.100 0.039 0.000 0.984 67 R CB -0.349 29.935 30.300 -0.026 0.000 0.884 67 R HN 0.537 nan 8.270 nan 0.000 0.447 68 A N -0.389 122.486 122.820 0.093 0.000 2.081 68 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 68 A C 0.328 178.130 177.584 0.363 0.000 1.158 68 A CA 0.333 52.452 52.037 0.137 0.000 0.724 68 A CB 0.084 19.093 19.000 0.014 0.000 0.826 68 A HN 0.463 nan 8.150 nan 0.000 0.463 69 W N 0.558 122.007 121.300 0.247 0.000 1.504 69 W HA 0.382 5.041 4.660 -0.001 0.000 0.313 69 W C -2.733 173.984 176.519 0.329 0.000 0.936 69 W CA -2.297 55.225 57.345 0.296 0.000 1.471 69 W CB 1.024 30.723 29.460 0.398 0.000 1.627 69 W HN 0.059 nan 8.180 nan 0.000 0.408 70 P HA -0.179 nan 4.420 nan 0.000 0.220 70 P C 1.016 178.335 177.300 0.032 0.000 1.148 70 P CA 1.794 64.991 63.100 0.161 0.000 0.803 70 P CB 0.527 32.299 31.700 0.121 0.000 0.782 71 E N -1.261 118.966 120.200 0.045 0.000 2.204 71 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 71 E C 1.682 178.095 176.600 -0.313 0.000 0.990 71 E CA 0.984 57.352 56.400 -0.055 0.000 0.821 71 E CB -0.882 28.883 29.700 0.108 0.000 0.750 71 E HN 0.338 nan 8.360 nan 0.000 0.477 72 F N -1.273 118.153 119.950 -0.873 0.000 2.315 72 F HA 0.131 4.657 4.527 -0.000 0.000 0.284 72 F C 1.425 176.717 175.800 -0.847 0.000 1.049 72 F CA 0.413 57.681 58.000 -1.220 0.000 1.323 72 F CB 0.019 37.390 39.000 -2.714 0.000 1.113 72 F HN -0.103 nan 8.300 nan 0.000 0.544 73 F N 1.324 121.084 119.950 -0.317 0.000 2.325 73 F HA 0.325 4.852 4.527 0.000 0.000 0.299 73 F C 1.323 177.000 175.800 -0.204 0.000 1.090 73 F CA 1.093 58.984 58.000 -0.181 0.000 1.392 73 F CB -0.767 38.250 39.000 0.029 0.000 1.053 73 F HN 0.158 nan 8.300 nan 0.000 0.521 74 G N -0.304 108.475 108.800 -0.035 0.000 2.570 74 G HA2 0.052 4.012 3.960 -0.000 0.000 0.686 74 G HA3 0.052 4.012 3.960 -0.000 0.000 0.686 74 G C -0.422 174.485 174.900 0.012 0.000 1.257 74 G CA -0.740 44.331 45.100 -0.049 0.000 0.846 74 G HN 0.468 nan 8.290 nan 0.000 0.627 75 S N 0.003 115.700 115.700 -0.006 0.000 2.601 75 S HA 0.480 4.950 4.470 -0.000 0.000 0.271 75 S C 1.551 176.154 174.600 0.005 0.000 1.305 75 S CA 0.569 58.775 58.200 0.009 0.000 1.022 75 S CB 1.767 64.968 63.200 0.002 0.000 0.940 75 S HN 1.206 nan 8.310 nan 0.000 0.525 76 R N 1.747 122.253 120.500 0.011 0.000 2.154 76 R HA -0.203 4.137 4.340 -0.000 0.000 0.248 76 R C 2.206 178.505 176.300 -0.002 0.000 1.155 76 R CA 2.110 58.213 56.100 0.004 0.000 0.979 76 R CB -0.358 29.946 30.300 0.008 0.000 0.869 76 R HN 0.900 nan 8.270 nan 0.000 0.452 77 K N -0.686 119.712 120.400 -0.003 0.000 2.076 77 K HA 0.025 4.345 4.320 -0.000 0.000 0.204 77 K C 1.954 178.545 176.600 -0.013 0.000 1.051 77 K CA 1.177 57.460 56.287 -0.007 0.000 0.949 77 K CB -0.212 32.285 32.500 -0.006 0.000 0.726 77 K HN 0.143 nan 8.250 nan 0.000 0.443 78 A N 1.613 124.422 122.820 -0.018 0.000 1.972 78 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 78 A C 2.151 179.718 177.584 -0.029 0.000 1.169 78 A CA 1.117 53.137 52.037 -0.028 0.000 0.635 78 A CB -0.585 18.392 19.000 -0.038 0.000 0.810 78 A HN 0.334 nan 8.150 nan 0.000 0.446 79 L N -0.884 120.325 121.223 -0.024 0.000 2.056 79 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 79 L C 3.077 179.935 176.870 -0.019 0.000 1.078 79 L CA 1.113 55.939 54.840 -0.024 0.000 0.749 79 L CB -0.409 41.638 42.059 -0.020 0.000 0.901 79 L HN 0.411 nan 8.230 nan 0.000 0.433 80 A N -0.525 122.288 122.820 -0.013 0.000 1.933 80 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 80 A C 2.174 179.751 177.584 -0.013 0.000 1.175 80 A CA 1.797 53.829 52.037 -0.009 0.000 0.628 80 A CB -0.446 18.551 19.000 -0.005 0.000 0.814 80 A HN 0.419 nan 8.150 nan 0.000 0.444 81 E N -0.434 119.756 120.200 -0.017 0.000 2.051 81 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 81 E C 2.132 178.718 176.600 -0.023 0.000 0.991 81 E CA 1.345 57.733 56.400 -0.020 0.000 0.799 81 E CB -0.088 29.598 29.700 -0.023 0.000 0.748 81 E HN 0.552 nan 8.360 nan 0.000 0.449 82 K N 0.208 120.592 120.400 -0.027 0.000 2.063 82 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 82 K C 2.042 178.627 176.600 -0.025 0.000 1.048 82 K CA 1.273 57.542 56.287 -0.031 0.000 0.928 82 K CB -0.143 32.335 32.500 -0.038 0.000 0.713 82 K HN 0.123 nan 8.250 nan 0.000 0.442 83 A N 0.697 123.506 122.820 -0.018 0.000 1.858 83 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 83 A C 2.304 179.881 177.584 -0.011 0.000 1.190 83 A CA 1.665 53.696 52.037 -0.010 0.000 0.617 83 A CB -0.736 18.263 19.000 -0.001 0.000 0.827 83 A HN 0.165 nan 8.150 nan 0.000 0.443 84 V N 0.066 119.972 119.914 -0.014 0.000 2.332 84 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 84 V C 2.664 178.745 176.094 -0.021 0.000 1.055 84 V CA 2.447 64.738 62.300 -0.016 0.000 1.038 84 V CB -0.836 30.978 31.823 -0.016 0.000 0.651 84 V HN 0.674 nan 8.190 nan 0.000 0.450 85 R N 0.132 120.619 120.500 -0.023 0.000 2.096 85 R HA -0.169 4.171 4.340 -0.000 0.000 0.240 85 R C 2.342 178.625 176.300 -0.027 0.000 1.139 85 R CA 1.986 58.071 56.100 -0.026 0.000 0.952 85 R CB -0.823 29.461 30.300 -0.028 0.000 0.854 85 R HN 0.547 nan 8.270 nan 0.000 0.436 86 G N 0.541 109.326 108.800 -0.025 0.000 2.418 86 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 86 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 86 G C 1.420 176.306 174.900 -0.024 0.000 1.158 86 G CA 0.762 45.847 45.100 -0.025 0.000 0.771 86 G HN 0.247 nan 8.290 nan 0.000 0.545 87 L N -0.172 121.039 121.223 -0.020 0.000 2.046 87 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 87 L C 3.145 179.994 176.870 -0.036 0.000 1.077 87 L CA 1.193 56.020 54.840 -0.023 0.000 0.747 87 L CB -0.315 41.734 42.059 -0.017 0.000 0.896 87 L HN 0.114 nan 8.230 nan 0.000 0.432 88 R N -0.520 119.959 120.500 -0.035 0.000 2.091 88 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 88 R C 2.423 178.696 176.300 -0.045 0.000 1.136 88 R CA 1.478 57.554 56.100 -0.040 0.000 0.959 88 R CB -0.393 29.887 30.300 -0.034 0.000 0.856 88 R HN 0.294 nan 8.270 nan 0.000 0.437 89 R N 0.723 121.198 120.500 -0.042 0.000 2.081 89 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 89 R C 2.164 178.428 176.300 -0.060 0.000 1.131 89 R CA 1.534 57.607 56.100 -0.045 0.000 0.960 89 R CB -0.230 30.047 30.300 -0.039 0.000 0.856 89 R HN 0.228 nan 8.270 nan 0.000 0.436 90 A N 1.201 123.984 122.820 -0.062 0.000 1.902 90 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 90 A C 2.230 179.740 177.584 -0.124 0.000 1.181 90 A CA 1.454 53.438 52.037 -0.088 0.000 0.623 90 A CB -0.636 18.326 19.000 -0.064 0.000 0.818 90 A HN 0.400 nan 8.150 nan 0.000 0.443 91 R N -0.367 120.076 120.500 -0.095 0.000 2.081 91 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 91 R C 2.310 178.550 176.300 -0.100 0.000 1.131 91 R CA 1.434 57.474 56.100 -0.100 0.000 0.960 91 R CB -0.436 29.819 30.300 -0.076 0.000 0.856 91 R HN 0.440 nan 8.270 nan 0.000 0.436 92 A N 0.782 123.554 122.820 -0.079 0.000 1.940 92 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 92 A C 2.273 179.807 177.584 -0.083 0.000 1.176 92 A CA 1.758 53.755 52.037 -0.067 0.000 0.631 92 A CB -0.653 18.316 19.000 -0.051 0.000 0.814 92 A HN 0.536 nan 8.150 nan 0.000 0.446 93 A N -2.250 120.503 122.820 -0.111 0.000 2.172 93 A HA 0.353 4.673 4.320 -0.000 0.000 0.216 93 A C 1.870 179.326 177.584 -0.214 0.000 1.154 93 A CA 1.635 53.588 52.037 -0.140 0.000 0.701 93 A CB -0.671 18.240 19.000 -0.148 0.000 0.789 93 A HN 1.843 nan 8.150 nan 0.000 0.465 94 G N -2.601 106.060 108.800 -0.233 0.000 2.260 94 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.179 94 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.179 94 G C 0.124 174.782 174.900 -0.404 0.000 1.002 94 G CA -0.089 44.850 45.100 -0.268 0.000 0.677 94 G HN 0.648 nan 8.290 nan 0.000 0.486 95 V N 1.825 121.463 119.914 -0.459 0.000 2.715 95 V HA 0.451 4.571 4.120 -0.000 0.000 0.299 95 V C 1.416 177.456 176.094 -0.089 0.000 1.054 95 V CA 0.170 62.258 62.300 -0.354 0.000 1.077 95 V CB 1.460 33.125 31.823 -0.264 0.000 0.972 95 V HN 0.321 nan 8.190 nan 0.000 0.484 96 R N 1.370 121.902 120.500 0.053 0.000 2.435 96 R HA 0.256 4.596 4.340 -0.000 0.000 0.221 96 R C 0.040 176.403 176.300 0.105 0.000 0.885 96 R CA 0.246 56.383 56.100 0.060 0.000 1.018 96 R CB 1.030 31.402 30.300 0.120 0.000 1.259 96 R HN 0.709 nan 8.270 nan 0.000 0.597 97 T N 1.021 115.672 114.554 0.163 0.000 2.916 97 T HA 0.618 4.968 4.350 -0.000 0.000 0.305 97 T C -0.627 174.160 174.700 0.145 0.000 1.119 97 T CA -0.383 61.824 62.100 0.180 0.000 1.008 97 T CB 2.452 71.442 68.868 0.204 0.000 1.129 97 T HN -0.109 nan 8.240 nan 0.000 0.480 98 I N 1.758 122.397 120.570 0.116 0.000 2.582 98 I HA 0.462 4.632 4.170 -0.000 0.000 0.292 98 I C -0.822 175.337 176.117 0.069 0.000 1.066 98 I CA -1.177 60.180 61.300 0.096 0.000 1.053 98 I CB 2.349 40.398 38.000 0.080 0.000 1.241 98 I HN 0.282 nan 8.210 nan 0.000 0.421 99 V N 4.573 124.516 119.914 0.048 0.000 2.318 99 V HA 0.200 4.320 4.120 -0.000 0.000 0.271 99 V C -0.056 176.033 176.094 -0.008 0.000 1.030 99 V CA -0.479 61.824 62.300 0.004 0.000 0.844 99 V CB 1.185 32.982 31.823 -0.044 0.000 1.015 99 V HN 0.658 nan 8.190 nan 0.000 0.460 100 D N 3.884 124.289 120.400 0.008 0.000 2.277 100 D HA 0.211 4.851 4.640 -0.000 0.000 0.249 100 D C 0.609 176.914 176.300 0.008 0.000 1.134 100 D CA -0.234 53.773 54.000 0.011 0.000 0.863 100 D CB 2.248 43.080 40.800 0.053 0.000 1.143 100 D HN 0.479 nan 8.370 nan 0.000 0.458 101 V N 1.007 120.904 119.914 -0.029 0.000 3.177 101 V HA 0.254 4.374 4.120 -0.000 0.000 0.342 101 V C 0.395 176.647 176.094 0.263 0.000 1.379 101 V CA -0.542 61.808 62.300 0.084 0.000 1.191 101 V CB -0.264 31.630 31.823 0.117 0.000 1.167 101 V HN 0.260 nan 8.190 nan 0.000 0.471 102 S N 2.737 118.585 115.700 0.248 0.000 2.549 102 S HA 0.485 4.955 4.470 -0.000 0.000 0.279 102 S C 0.718 175.456 174.600 0.230 0.000 1.321 102 S CA 0.326 58.691 58.200 0.275 0.000 1.054 102 S CB 0.971 64.323 63.200 0.253 0.000 0.899 102 S HN 0.889 nan 8.310 nan 0.000 0.497 103 T N -0.205 114.492 114.554 0.238 0.000 2.948 103 T HA 0.483 4.833 4.350 -0.000 0.000 0.285 103 T C 0.756 175.620 174.700 0.273 0.000 1.019 103 T CA -0.848 61.434 62.100 0.303 0.000 1.013 103 T CB 0.434 69.553 68.868 0.419 0.000 1.117 103 T HN 0.350 nan 8.240 nan 0.000 0.533 104 F N 1.894 121.978 119.950 0.223 0.000 2.154 104 F HA -0.129 4.398 4.527 0.000 0.000 0.301 104 F C 2.129 178.006 175.800 0.127 0.000 1.087 104 F CA 2.329 60.440 58.000 0.184 0.000 1.274 104 F CB -0.273 38.878 39.000 0.252 0.000 1.009 104 F HN 0.774 nan 8.300 nan 0.000 0.485 105 D N 0.609 121.164 120.400 0.258 0.000 2.348 105 D HA -0.166 4.474 4.640 -0.000 0.000 0.216 105 D C 1.345 177.628 176.300 -0.028 0.000 0.970 105 D CA 1.381 55.453 54.000 0.119 0.000 0.889 105 D CB -0.996 39.931 40.800 0.212 0.000 0.912 105 D HN 0.598 nan 8.370 nan 0.000 0.524 106 I N -5.353 115.163 120.570 -0.090 0.000 3.936 106 I HA 0.598 4.768 4.170 -0.000 0.000 0.330 106 I C 1.059 177.114 176.117 -0.104 0.000 1.509 106 I CA -0.231 60.962 61.300 -0.179 0.000 1.126 106 I CB 0.814 38.501 38.000 -0.521 0.000 1.115 106 I HN -0.010 nan 8.210 nan 0.000 0.424 107 G N 1.929 110.636 108.800 -0.153 0.000 2.148 107 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.203 107 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.203 107 G C 0.361 175.205 174.900 -0.093 0.000 0.993 107 G CA -0.082 44.928 45.100 -0.150 0.000 0.661 107 G HN 0.585 nan 8.290 nan 0.000 0.518 108 R N 0.776 121.250 120.500 -0.042 0.000 2.537 108 R HA 0.269 4.609 4.340 -0.000 0.000 0.281 108 R C -1.155 175.166 176.300 0.035 0.000 0.988 108 R CA 0.712 56.840 56.100 0.048 0.000 1.077 108 R CB 0.282 30.662 30.300 0.134 0.000 0.932 108 R HN 0.107 nan 8.270 nan 0.000 0.409 109 D N 5.090 125.519 120.400 0.048 0.000 2.378 109 D HA 0.031 4.671 4.640 -0.000 0.000 0.265 109 D C 1.137 177.474 176.300 0.061 0.000 1.229 109 D CA -0.494 53.535 54.000 0.047 0.000 0.914 109 D CB 1.319 42.127 40.800 0.014 0.000 1.140 109 D HN 0.356 nan 8.370 nan 0.000 0.516 110 V N 1.886 121.848 119.914 0.082 0.000 2.594 110 V HA -0.155 3.965 4.120 -0.000 0.000 0.253 110 V C 1.907 178.031 176.094 0.051 0.000 1.069 110 V CA 2.031 64.372 62.300 0.068 0.000 1.082 110 V CB -1.035 30.832 31.823 0.073 0.000 0.680 110 V HN 0.458 nan 8.190 nan 0.000 0.469 111 S N 0.865 116.595 115.700 0.049 0.000 2.387 111 S HA -0.090 4.380 4.470 -0.000 0.000 0.226 111 S C 1.919 176.536 174.600 0.029 0.000 1.026 111 S CA 1.371 59.593 58.200 0.036 0.000 0.972 111 S CB -0.616 62.606 63.200 0.037 0.000 0.814 111 S HN 0.494 nan 8.310 nan 0.000 0.477 112 L N 1.834 123.074 121.223 0.029 0.000 2.046 112 L HA 0.161 4.501 4.340 -0.000 0.000 0.208 112 L C 2.233 179.118 176.870 0.024 0.000 1.077 112 L CA 1.414 56.267 54.840 0.021 0.000 0.747 112 L CB -0.934 41.136 42.059 0.017 0.000 0.896 112 L HN 0.344 nan 8.230 nan 0.000 0.432 113 L N -0.789 120.454 121.223 0.033 0.000 2.046 113 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 113 L C 2.638 179.526 176.870 0.031 0.000 1.077 113 L CA 1.224 56.085 54.840 0.036 0.000 0.747 113 L CB -1.007 41.080 42.059 0.046 0.000 0.896 113 L HN 0.367 nan 8.230 nan 0.000 0.432 114 A N -0.262 122.575 122.820 0.029 0.000 1.902 114 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 114 A C 2.194 179.790 177.584 0.019 0.000 1.181 114 A CA 1.598 53.651 52.037 0.025 0.000 0.623 114 A CB -0.399 18.615 19.000 0.023 0.000 0.818 114 A HN 0.420 nan 8.150 nan 0.000 0.443 115 E N -0.417 119.793 120.200 0.016 0.000 2.051 115 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 115 E C 2.183 178.786 176.600 0.006 0.000 0.991 115 E CA 1.724 58.130 56.400 0.010 0.000 0.799 115 E CB -0.314 29.392 29.700 0.009 0.000 0.748 115 E HN 0.606 nan 8.360 nan 0.000 0.449 116 V N -0.891 119.027 119.914 0.008 0.000 2.407 116 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 116 V C 2.233 178.327 176.094 0.001 0.000 1.055 116 V CA 2.210 64.512 62.300 0.004 0.000 1.049 116 V CB -0.404 31.423 31.823 0.006 0.000 0.662 116 V HN 0.163 nan 8.190 nan 0.000 0.455 117 S N 0.138 115.843 115.700 0.008 0.000 2.368 117 S HA -0.247 4.223 4.470 -0.000 0.000 0.225 117 S C 2.318 176.911 174.600 -0.011 0.000 1.030 117 S CA 1.920 60.123 58.200 0.004 0.000 0.999 117 S CB -0.568 62.648 63.200 0.026 0.000 0.844 117 S HN 0.736 nan 8.310 nan 0.000 0.459 118 R N 0.183 120.681 120.500 -0.003 0.000 2.075 118 R HA 0.044 4.384 4.340 -0.000 0.000 0.232 118 R C 2.424 178.714 176.300 -0.016 0.000 1.126 118 R CA 1.238 57.333 56.100 -0.008 0.000 0.963 118 R CB -0.595 29.705 30.300 0.000 0.000 0.858 118 R HN 0.471 nan 8.270 nan 0.000 0.435 119 A N 0.189 123.002 122.820 -0.013 0.000 1.969 119 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 119 A C 2.026 179.596 177.584 -0.023 0.000 1.169 119 A CA 1.547 53.575 52.037 -0.016 0.000 0.635 119 A CB -0.283 18.710 19.000 -0.012 0.000 0.810 119 A HN 0.483 nan 8.150 nan 0.000 0.445 120 A N -1.728 121.075 122.820 -0.028 0.000 2.267 120 A HA 0.344 4.664 4.320 -0.000 0.000 0.213 120 A C 0.733 178.284 177.584 -0.055 0.000 1.192 120 A CA 0.988 53.003 52.037 -0.037 0.000 0.851 120 A CB -0.077 18.904 19.000 -0.033 0.000 0.881 120 A HN 0.460 nan 8.150 nan 0.000 0.494 121 D N -0.884 119.477 120.400 -0.064 0.000 2.699 121 D HA -0.128 4.512 4.640 -0.000 0.000 0.239 121 D C -0.804 175.397 176.300 -0.165 0.000 1.136 121 D CA 0.930 54.869 54.000 -0.102 0.000 0.668 121 D CB -1.576 39.173 40.800 -0.084 0.000 1.060 121 D HN 0.209 nan 8.370 nan 0.000 0.429 122 V N 2.525 122.346 119.914 -0.156 0.000 2.638 122 V HA 0.317 4.437 4.120 -0.000 0.000 0.306 122 V C 0.339 176.354 176.094 -0.132 0.000 1.052 122 V CA -0.977 61.222 62.300 -0.167 0.000 0.885 122 V CB 1.981 33.765 31.823 -0.066 0.000 0.999 122 V HN 0.218 nan 8.190 nan 0.000 0.424 123 H N 4.664 123.745 119.070 0.018 0.000 2.732 123 H HA 0.487 5.043 4.556 -0.000 0.000 0.351 123 H C -0.507 174.833 175.328 0.021 0.000 1.090 123 H CA 0.236 56.294 56.048 0.017 0.000 1.431 123 H CB 1.241 31.014 29.762 0.019 0.000 1.447 123 H HN 0.432 nan 8.280 nan 0.000 0.582 124 I N 2.779 123.438 120.570 0.149 0.000 2.466 124 I HA 0.127 4.297 4.170 -0.000 0.000 0.289 124 I C -0.339 175.815 176.117 0.062 0.000 1.026 124 I CA -0.740 60.613 61.300 0.088 0.000 1.078 124 I CB 2.067 40.105 38.000 0.063 0.000 1.249 124 I HN 0.146 nan 8.210 nan 0.000 0.429 125 V N 5.466 125.406 119.914 0.042 0.000 2.427 125 V HA 0.698 4.817 4.120 -0.000 0.000 0.286 125 V C 0.469 176.571 176.094 0.014 0.000 1.034 125 V CA -0.425 61.883 62.300 0.013 0.000 0.893 125 V CB 1.366 33.183 31.823 -0.009 0.000 0.982 125 V HN 0.825 nan 8.190 nan 0.000 0.452 126 A N 3.958 126.785 122.820 0.012 0.000 2.281 126 A HA 0.972 5.292 4.320 -0.000 0.000 0.329 126 A C 0.061 177.651 177.584 0.010 0.000 1.122 126 A CA -0.212 51.841 52.037 0.026 0.000 0.850 126 A CB 1.365 20.390 19.000 0.042 0.000 1.207 126 A HN 1.236 nan 8.150 nan 0.000 0.495 127 A N -0.242 122.598 122.820 0.033 0.000 2.330 127 A HA 0.816 5.136 4.320 -0.000 0.000 0.329 127 A C 0.097 177.698 177.584 0.029 0.000 1.135 127 A CA -0.093 51.953 52.037 0.015 0.000 0.817 127 A CB 1.281 20.309 19.000 0.048 0.000 1.269 127 A HN 1.139 nan 8.150 nan 0.000 0.469 128 T N -1.174 113.356 114.554 -0.041 0.000 2.927 128 T HA 0.792 5.142 4.350 -0.000 0.000 0.286 128 T C 0.229 174.845 174.700 -0.141 0.000 1.040 128 T CA 0.779 62.844 62.100 -0.059 0.000 1.010 128 T CB 1.254 70.035 68.868 -0.145 0.000 1.177 128 T HN 2.588 nan 8.240 nan 0.000 0.546 129 G N 0.183 108.894 108.800 -0.150 0.000 2.331 129 G HA2 0.211 4.171 3.960 -0.000 0.000 0.479 129 G HA3 0.211 4.171 3.960 -0.000 0.000 0.479 129 G C -2.084 173.025 174.900 0.348 0.000 1.262 129 G CA -0.454 44.503 45.100 -0.239 0.000 1.029 129 G HN 0.875 nan 8.290 nan 0.000 0.487 130 L N -0.976 120.428 121.223 0.302 0.000 2.415 130 L HA 0.660 5.000 4.340 -0.000 0.000 0.256 130 L C -0.094 176.938 176.870 0.270 0.000 1.010 130 L CA -0.913 54.159 54.840 0.387 0.000 0.826 130 L CB 2.504 44.822 42.059 0.431 0.000 1.405 130 L HN 0.753 nan 8.230 nan 0.000 0.410 131 W N 1.113 122.456 121.300 0.072 0.000 2.353 131 W HA 0.394 5.054 4.660 0.000 0.000 0.390 131 W C -0.229 176.298 176.519 0.012 0.000 1.498 131 W CA -0.451 56.854 57.345 -0.067 0.000 1.620 131 W CB 1.445 30.774 29.460 -0.219 0.000 1.401 131 W HN 0.351 nan 8.180 nan 0.000 0.695 132 F N 0.964 120.905 119.950 -0.016 0.000 2.450 132 F HA 0.206 4.733 4.527 -0.000 0.000 0.339 132 F C 0.438 176.363 175.800 0.209 0.000 1.146 132 F CA -0.617 57.440 58.000 0.094 0.000 1.267 132 F CB -0.321 38.696 39.000 0.028 0.000 1.178 132 F HN 0.478 nan 8.300 nan 0.000 0.585 133 D N 0.144 120.801 120.400 0.428 0.000 2.699 133 D HA -0.128 4.512 4.640 -0.000 0.000 0.239 133 D C -2.462 173.929 176.300 0.152 0.000 1.136 133 D CA 0.386 54.548 54.000 0.270 0.000 0.668 133 D CB -0.847 40.178 40.800 0.376 0.000 1.060 133 D HN 0.492 nan 8.370 nan 0.000 0.429 134 P HA 0.235 nan 4.420 nan 0.000 0.272 134 P C -2.496 174.812 177.300 0.013 0.000 1.240 134 P CA -1.020 62.141 63.100 0.102 0.000 0.791 134 P CB 0.045 31.839 31.700 0.157 0.000 0.978 135 P HA 0.034 nan 4.420 nan 0.000 0.270 135 P C 1.099 178.364 177.300 -0.059 0.000 1.223 135 P CA -0.235 62.863 63.100 -0.003 0.000 0.785 135 P CB 0.246 31.959 31.700 0.021 0.000 0.923 136 L N 2.020 123.206 121.223 -0.062 0.000 2.081 136 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 136 L C 2.531 179.354 176.870 -0.079 0.000 1.080 136 L CA 2.456 57.244 54.840 -0.086 0.000 0.754 136 L CB -1.949 40.078 42.059 -0.054 0.000 0.893 136 L HN 0.499 nan 8.230 nan 0.000 0.433 137 S N -1.703 113.963 115.700 -0.056 0.000 2.374 137 S HA -0.255 4.215 4.470 -0.000 0.000 0.227 137 S C 1.822 176.376 174.600 -0.077 0.000 1.037 137 S CA 1.709 59.873 58.200 -0.059 0.000 1.024 137 S CB -0.309 62.861 63.200 -0.050 0.000 0.861 137 S HN 0.354 nan 8.310 nan 0.000 0.456 138 M N 0.455 120.008 119.600 -0.078 0.000 2.545 138 M HA 0.316 4.796 4.480 -0.000 0.000 0.264 138 M C 2.327 178.610 176.300 -0.028 0.000 1.155 138 M CA 0.555 55.821 55.300 -0.057 0.000 1.162 138 M CB -1.029 31.550 32.600 -0.035 0.000 1.330 138 M HN 0.367 nan 8.290 nan 0.000 0.479 139 R N 0.388 120.773 120.500 -0.192 0.000 2.152 139 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 139 R C 1.188 177.325 176.300 -0.272 0.000 1.117 139 R CA 0.916 56.693 56.100 -0.538 0.000 0.981 139 R CB 0.115 30.123 30.300 -0.486 0.000 0.870 139 R HN 0.166 nan 8.270 nan 0.000 0.451 140 L N 0.238 121.400 121.223 -0.102 0.000 2.592 140 L HA 0.152 4.492 4.340 -0.000 0.000 0.227 140 L C 0.362 177.245 176.870 0.022 0.000 1.127 140 L CA 0.501 55.321 54.840 -0.033 0.000 0.884 140 L CB -0.383 41.653 42.059 -0.039 0.000 1.065 140 L HN -0.129 nan 8.230 nan 0.000 0.457 141 R N -0.227 120.306 120.500 0.055 0.000 2.582 141 R HA 0.328 4.668 4.340 -0.000 0.000 0.271 141 R C 0.658 177.001 176.300 0.073 0.000 1.078 141 R CA 0.049 56.177 56.100 0.045 0.000 1.127 141 R CB 0.641 30.953 30.300 0.021 0.000 1.038 141 R HN 0.256 nan 8.270 nan 0.000 0.500 142 S N -0.042 115.674 115.700 0.027 0.000 2.707 142 S HA 0.168 4.637 4.470 -0.000 0.000 0.276 142 S C 1.221 175.816 174.600 -0.008 0.000 1.179 142 S CA -0.826 57.386 58.200 0.021 0.000 0.992 142 S CB 1.029 64.233 63.200 0.006 0.000 1.030 142 S HN 0.219 nan 8.310 nan 0.000 0.554 143 V N 1.443 121.345 119.914 -0.019 0.000 2.332 143 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 143 V C 2.596 178.667 176.094 -0.038 0.000 1.055 143 V CA 2.443 64.720 62.300 -0.038 0.000 1.038 143 V CB -1.421 30.384 31.823 -0.030 0.000 0.651 143 V HN 0.852 nan 8.190 nan 0.000 0.450 144 E N 0.218 120.403 120.200 -0.025 0.000 2.051 144 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 144 E C 2.189 178.768 176.600 -0.034 0.000 0.991 144 E CA 1.581 57.968 56.400 -0.022 0.000 0.799 144 E CB -0.298 29.394 29.700 -0.013 0.000 0.748 144 E HN 0.690 nan 8.360 nan 0.000 0.449 145 E N 0.287 120.464 120.200 -0.038 0.000 2.072 145 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 145 E C 2.111 178.662 176.600 -0.083 0.000 0.985 145 E CA 0.662 57.035 56.400 -0.046 0.000 0.801 145 E CB -0.108 29.568 29.700 -0.040 0.000 0.750 145 E HN 0.184 nan 8.360 nan 0.000 0.452 146 L N 0.728 121.873 121.223 -0.129 0.000 2.046 146 L HA -0.190 4.149 4.340 -0.000 0.000 0.208 146 L C 2.497 179.104 176.870 -0.439 0.000 1.077 146 L CA 1.294 55.954 54.840 -0.301 0.000 0.747 146 L CB -0.706 41.188 42.059 -0.275 0.000 0.896 146 L HN 0.226 nan 8.230 nan 0.000 0.432 147 T N -1.105 113.332 114.554 -0.195 0.000 2.720 147 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 147 T C 1.921 176.596 174.700 -0.043 0.000 1.037 147 T CA 1.088 63.146 62.100 -0.069 0.000 1.144 147 T CB -0.097 68.773 68.868 0.003 0.000 0.864 147 T HN 0.287 nan 8.240 nan 0.000 0.444 148 Q N 0.081 119.856 119.800 -0.042 0.000 2.119 148 Q HA 0.014 4.354 4.340 -0.000 0.000 0.201 148 Q C 2.046 178.057 176.000 0.019 0.000 0.972 148 Q CA 1.007 56.805 55.803 -0.007 0.000 0.847 148 Q CB -0.630 28.104 28.738 -0.006 0.000 0.903 148 Q HN 0.588 nan 8.270 nan 0.000 0.433 149 F N 0.754 120.606 119.950 -0.163 0.000 2.113 149 F HA -0.178 4.349 4.527 -0.000 0.000 0.297 149 F C 1.706 177.524 175.800 0.031 0.000 1.103 149 F CA 0.904 58.831 58.000 -0.121 0.000 1.248 149 F CB -0.359 38.508 39.000 -0.222 0.000 0.999 149 F HN -0.092 nan 8.300 nan 0.000 0.475 150 F N 0.756 120.593 119.950 -0.188 0.000 2.134 150 F HA -0.162 4.364 4.527 -0.000 0.000 0.299 150 F C 2.369 178.032 175.800 -0.228 0.000 1.097 150 F CA 1.012 58.834 58.000 -0.297 0.000 1.264 150 F CB -1.595 37.356 39.000 -0.081 0.000 1.001 150 F HN 0.005 nan 8.300 nan 0.000 0.479 151 L N -0.628 120.634 121.223 0.064 0.000 2.079 151 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 151 L C 2.786 179.652 176.870 -0.008 0.000 1.081 151 L CA 1.166 56.020 54.840 0.024 0.000 0.752 151 L CB -0.586 41.489 42.059 0.027 0.000 0.896 151 L HN 0.071 nan 8.230 nan 0.000 0.433 152 R N 0.640 121.112 120.500 -0.047 0.000 2.073 152 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 152 R C 1.997 178.297 176.300 -0.000 0.000 1.134 152 R CA 1.667 57.754 56.100 -0.023 0.000 0.952 152 R CB -0.169 30.098 30.300 -0.055 0.000 0.850 152 R HN 0.457 nan 8.270 nan 0.000 0.433 153 E N -0.191 119.921 120.200 -0.147 0.000 2.204 153 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 153 E C 1.995 178.565 176.600 -0.050 0.000 0.989 153 E CA 1.078 57.405 56.400 -0.121 0.000 0.824 153 E CB 0.030 29.566 29.700 -0.272 0.000 0.756 153 E HN 0.423 nan 8.360 nan 0.000 0.477 154 I N 0.455 120.999 120.570 -0.043 0.000 2.556 154 I HA -0.172 3.997 4.170 -0.000 0.000 0.251 154 I C 2.412 178.523 176.117 -0.010 0.000 1.105 154 I CA 0.557 61.838 61.300 -0.032 0.000 1.436 154 I CB 0.082 38.060 38.000 -0.036 0.000 1.139 154 I HN -0.070 nan 8.210 nan 0.000 0.438 155 Q N -0.532 119.279 119.800 0.019 0.000 2.204 155 Q HA -0.089 4.251 4.340 -0.000 0.000 0.198 155 Q C 1.817 177.866 176.000 0.082 0.000 0.946 155 Q CA 1.442 57.268 55.803 0.039 0.000 0.859 155 Q CB -0.059 28.706 28.738 0.046 0.000 0.946 155 Q HN 0.531 nan 8.270 nan 0.000 0.474 156 Y N 0.011 120.293 120.300 -0.030 0.000 2.353 156 Y HA 0.339 4.889 4.550 -0.000 0.000 0.294 156 Y C 0.692 176.580 175.900 -0.019 0.000 1.135 156 Y CA 1.249 59.336 58.100 -0.021 0.000 1.176 156 Y CB 0.763 39.212 38.460 -0.018 0.000 1.124 156 Y HN 0.111 nan 8.280 nan 0.000 0.537 157 G N 0.282 109.117 108.800 0.058 0.000 2.326 157 G HA2 0.090 4.050 3.960 -0.000 0.000 0.413 157 G HA3 0.090 4.050 3.960 -0.000 0.000 0.413 157 G C -1.835 173.110 174.900 0.076 0.000 1.444 157 G CA -0.644 44.428 45.100 -0.047 0.000 1.002 157 G HN 0.157 nan 8.290 nan 0.000 0.649 158 I N 1.865 122.463 120.570 0.046 0.000 2.365 158 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 158 I C 1.124 177.309 176.117 0.112 0.000 1.004 158 I CA 0.130 61.483 61.300 0.087 0.000 1.311 158 I CB 1.084 39.139 38.000 0.091 0.000 1.401 158 I HN 0.968 nan 8.210 nan 0.000 0.491 159 E N 3.418 123.698 120.200 0.133 0.000 3.304 159 E HA -0.325 4.025 4.350 -0.000 0.000 0.365 159 E C -0.028 176.663 176.600 0.151 0.000 1.512 159 E CA 1.883 58.362 56.400 0.132 0.000 1.642 159 E CB -0.455 29.335 29.700 0.150 0.000 1.738 159 E HN 0.930 nan 8.360 nan 0.000 0.483 160 D N 0.004 120.473 120.400 0.114 0.000 2.424 160 D HA 0.034 4.674 4.640 -0.000 0.000 0.220 160 D C 1.148 177.472 176.300 0.040 0.000 1.150 160 D CA 0.936 54.994 54.000 0.096 0.000 0.831 160 D CB -0.197 40.654 40.800 0.085 0.000 0.981 160 D HN 0.414 nan 8.370 nan 0.000 0.500 161 T N -3.489 111.085 114.554 0.032 0.000 3.023 161 T HA 0.175 4.525 4.350 -0.000 0.000 0.266 161 T C 1.944 176.619 174.700 -0.042 0.000 1.093 161 T CA 0.969 63.072 62.100 0.006 0.000 1.129 161 T CB -0.470 68.415 68.868 0.028 0.000 0.899 161 T HN 0.363 nan 8.240 nan 0.000 0.491 162 G N 1.239 109.978 108.800 -0.103 0.000 2.184 162 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.264 162 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.264 162 G C 0.068 174.903 174.900 -0.109 0.000 0.975 162 G CA 0.277 45.276 45.100 -0.167 0.000 0.642 162 G HN 0.675 nan 8.290 nan 0.000 0.536 163 I N 1.022 121.559 120.570 -0.055 0.000 2.441 163 I HA 0.416 4.586 4.170 -0.000 0.000 0.287 163 I C 0.977 177.077 176.117 -0.028 0.000 1.049 163 I CA -0.375 60.908 61.300 -0.028 0.000 1.381 163 I CB 0.860 38.861 38.000 0.001 0.000 1.409 163 I HN 0.058 nan 8.210 nan 0.000 0.523 164 R N 4.484 124.965 120.500 -0.032 0.000 2.664 164 R HA 0.718 5.057 4.340 -0.000 0.000 0.286 164 R C -0.454 175.830 176.300 -0.027 0.000 0.967 164 R CA -0.841 55.239 56.100 -0.032 0.000 0.933 164 R CB 1.730 32.004 30.300 -0.043 0.000 1.146 164 R HN 0.710 nan 8.270 nan 0.000 0.468 165 A N 0.793 123.594 122.820 -0.031 0.000 2.407 165 A HA 0.407 4.727 4.320 -0.000 0.000 0.248 165 A C 0.927 178.475 177.584 -0.059 0.000 1.082 165 A CA 0.062 52.076 52.037 -0.039 0.000 0.785 165 A CB 0.439 19.408 19.000 -0.051 0.000 1.020 165 A HN 0.925 nan 8.150 nan 0.000 0.489 166 G N 0.195 108.954 108.800 -0.067 0.000 3.377 166 G HA2 0.461 4.421 3.960 -0.000 0.000 0.257 166 G HA3 0.461 4.421 3.960 -0.000 0.000 0.257 166 G C -0.033 174.788 174.900 -0.132 0.000 1.038 166 G CA 0.286 45.331 45.100 -0.093 0.000 0.809 166 G HN 0.729 nan 8.290 nan 0.000 0.526 167 I N -0.069 120.425 120.570 -0.126 0.000 2.908 167 I HA 0.467 4.637 4.170 -0.000 0.000 0.300 167 I C -1.688 174.337 176.117 -0.154 0.000 1.385 167 I CA -1.300 59.905 61.300 -0.158 0.000 1.004 167 I CB 2.683 40.600 38.000 -0.138 0.000 1.309 167 I HN -0.164 nan 8.210 nan 0.000 0.449 168 I N 5.334 125.794 120.570 -0.183 0.000 2.330 168 I HA 0.357 4.527 4.170 -0.000 0.000 0.289 168 I C -0.649 175.350 176.117 -0.195 0.000 1.001 168 I CA -0.543 60.605 61.300 -0.254 0.000 1.193 168 I CB 1.515 39.327 38.000 -0.313 0.000 1.345 168 I HN 0.324 nan 8.210 nan 0.000 0.461 169 K N 5.968 126.252 120.400 -0.192 0.000 2.235 169 K HA 0.601 4.921 4.320 -0.000 0.000 0.266 169 K C -1.307 175.161 176.600 -0.220 0.000 0.980 169 K CA -0.415 55.779 56.287 -0.154 0.000 0.849 169 K CB 1.406 33.881 32.500 -0.042 0.000 1.098 169 K HN 0.375 nan 8.250 nan 0.000 0.445 170 V N 3.951 123.696 119.914 -0.281 0.000 2.340 170 V HA 0.553 4.672 4.120 -0.000 0.000 0.277 170 V C -0.431 175.363 176.094 -0.500 0.000 1.017 170 V CA -1.052 61.085 62.300 -0.272 0.000 0.820 170 V CB 1.021 32.777 31.823 -0.112 0.000 1.028 170 V HN 0.904 nan 8.190 nan 0.000 0.436 171 A N 3.648 126.044 122.820 -0.707 0.000 2.328 171 A HA 0.821 5.141 4.320 -0.000 0.000 0.284 171 A C 0.442 177.873 177.584 -0.255 0.000 1.160 171 A CA -0.128 51.383 52.037 -0.877 0.000 0.818 171 A CB 0.675 18.578 19.000 -1.828 0.000 1.087 171 A HN 0.978 nan 8.150 nan 0.000 0.504 172 T N -0.486 114.030 114.554 -0.064 0.000 2.928 172 T HA 0.616 4.966 4.350 -0.000 0.000 0.296 172 T C -0.431 174.246 174.700 -0.038 0.000 1.000 172 T CA -0.431 61.679 62.100 0.016 0.000 0.989 172 T CB 1.479 70.338 68.868 -0.015 0.000 1.005 172 T HN 0.616 nan 8.240 nan 0.000 0.442 173 T N 2.347 116.807 114.554 -0.157 0.000 2.925 173 T HA 0.646 4.996 4.350 -0.000 0.000 0.285 173 T C 1.461 176.051 174.700 -0.182 0.000 1.021 173 T CA 0.870 62.755 62.100 -0.357 0.000 1.042 173 T CB 0.628 68.933 68.868 -0.940 0.000 1.037 173 T HN 1.338 nan 8.240 nan 0.000 0.481 174 G N 3.448 112.153 108.800 -0.157 0.000 2.730 174 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.531 174 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.531 174 G C 0.327 175.194 174.900 -0.055 0.000 1.112 174 G CA 0.829 45.875 45.100 -0.090 0.000 0.868 174 G HN 0.905 nan 8.290 nan 0.000 0.740 175 K N 1.540 121.915 120.400 -0.042 0.000 2.511 175 K HA 0.378 4.698 4.320 -0.000 0.000 0.280 175 K C 0.789 177.382 176.600 -0.013 0.000 1.008 175 K CA 0.219 56.492 56.287 -0.024 0.000 1.050 175 K CB 0.008 32.499 32.500 -0.015 0.000 0.889 175 K HN 0.755 nan 8.250 nan 0.000 0.484 176 A N 3.815 126.627 122.820 -0.013 0.000 2.522 176 A HA 0.107 4.427 4.320 -0.000 0.000 0.256 176 A C 0.226 177.816 177.584 0.010 0.000 1.086 176 A CA 0.039 52.072 52.037 -0.007 0.000 0.763 176 A CB -0.142 18.846 19.000 -0.019 0.000 1.024 176 A HN 0.795 nan 8.150 nan 0.000 0.502 177 T N 0.602 115.174 114.554 0.030 0.000 2.949 177 T HA 0.693 5.043 4.350 -0.000 0.000 0.287 177 T C -1.994 172.737 174.700 0.053 0.000 1.034 177 T CA -1.497 60.639 62.100 0.059 0.000 1.018 177 T CB 1.600 70.536 68.868 0.114 0.000 1.135 177 T HN 0.316 nan 8.240 nan 0.000 0.532 178 P HA 0.054 nan 4.420 nan 0.000 0.220 178 P C 1.376 178.715 177.300 0.066 0.000 1.152 178 P CA 0.383 63.513 63.100 0.051 0.000 0.812 178 P CB -0.124 31.613 31.700 0.062 0.000 0.792 179 F N 1.542 121.495 119.950 0.004 0.000 2.126 179 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 179 F C 2.322 178.132 175.800 0.016 0.000 1.096 179 F CA 1.691 59.700 58.000 0.014 0.000 1.255 179 F CB -0.762 38.255 39.000 0.027 0.000 0.997 179 F HN -0.130 nan 8.300 nan 0.000 0.479 180 Q N -0.165 119.615 119.800 -0.033 0.000 2.096 180 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 180 Q C 2.292 178.174 176.000 -0.197 0.000 0.982 180 Q CA 1.986 57.721 55.803 -0.114 0.000 0.850 180 Q CB -0.468 28.253 28.738 -0.027 0.000 0.901 180 Q HN 0.583 nan 8.270 nan 0.000 0.422 181 E N 0.371 120.479 120.200 -0.154 0.000 2.058 181 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 181 E C 1.969 178.455 176.600 -0.189 0.000 0.997 181 E CA 0.848 57.154 56.400 -0.157 0.000 0.801 181 E CB 0.070 29.709 29.700 -0.101 0.000 0.746 181 E HN 0.166 nan 8.360 nan 0.000 0.450 182 L N 0.202 121.291 121.223 -0.224 0.000 2.012 182 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 182 L C 2.464 179.178 176.870 -0.260 0.000 1.073 182 L CA 1.211 55.911 54.840 -0.234 0.000 0.748 182 L CB -0.712 41.164 42.059 -0.305 0.000 0.891 182 L HN 0.071 nan 8.230 nan 0.000 0.431 183 V N -1.139 118.514 119.914 -0.434 0.000 2.343 183 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 183 V C 2.392 178.456 176.094 -0.050 0.000 1.051 183 V CA 1.136 63.286 62.300 -0.250 0.000 1.036 183 V CB -0.573 31.066 31.823 -0.306 0.000 0.654 183 V HN 0.269 nan 8.190 nan 0.000 0.451 184 L N -0.152 120.992 121.223 -0.131 0.000 2.083 184 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 184 L C 2.359 179.179 176.870 -0.084 0.000 1.083 184 L CA 1.812 56.575 54.840 -0.128 0.000 0.752 184 L CB -1.061 40.809 42.059 -0.315 0.000 0.899 184 L HN 0.322 nan 8.230 nan 0.000 0.433 185 K N -1.172 119.169 120.400 -0.098 0.000 2.057 185 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 185 K C 2.105 178.738 176.600 0.056 0.000 1.050 185 K CA 1.203 57.468 56.287 -0.036 0.000 0.935 185 K CB -0.245 32.220 32.500 -0.058 0.000 0.715 185 K HN 0.297 nan 8.250 nan 0.000 0.439 186 A N 1.423 124.286 122.820 0.070 0.000 1.933 186 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 186 A C 2.331 180.097 177.584 0.303 0.000 1.175 186 A CA 1.881 53.999 52.037 0.135 0.000 0.628 186 A CB -0.672 18.362 19.000 0.055 0.000 0.814 186 A HN 0.339 nan 8.150 nan 0.000 0.444 187 A N -0.112 122.916 122.820 0.347 0.000 1.898 187 A HA 0.188 4.508 4.320 -0.000 0.000 0.216 187 A C 2.516 180.234 177.584 0.223 0.000 1.181 187 A CA 1.980 54.179 52.037 0.271 0.000 0.620 187 A CB -1.053 18.035 19.000 0.146 0.000 0.819 187 A HN 1.069 nan 8.150 nan 0.000 0.442 188 A N 0.072 123.062 122.820 0.284 0.000 1.908 188 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 188 A C 2.251 179.929 177.584 0.157 0.000 1.181 188 A CA 1.712 53.919 52.037 0.284 0.000 0.627 188 A CB -0.486 18.715 19.000 0.335 0.000 0.818 188 A HN 0.586 nan 8.150 nan 0.000 0.445 189 R N -0.623 119.957 120.500 0.133 0.000 2.075 189 R HA -0.004 4.336 4.340 -0.000 0.000 0.232 189 R C 2.490 178.841 176.300 0.086 0.000 1.126 189 R CA 1.114 57.269 56.100 0.093 0.000 0.963 189 R CB -0.481 29.864 30.300 0.075 0.000 0.858 189 R HN 0.499 nan 8.270 nan 0.000 0.435 190 A N 0.589 123.483 122.820 0.123 0.000 1.902 190 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 190 A C 2.218 179.829 177.584 0.046 0.000 1.181 190 A CA 1.869 53.971 52.037 0.109 0.000 0.623 190 A CB -0.582 18.539 19.000 0.200 0.000 0.818 190 A HN 0.308 nan 8.150 nan 0.000 0.443 191 S N -0.901 114.819 115.700 0.034 0.000 2.368 191 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 191 S C 1.909 176.502 174.600 -0.011 0.000 1.029 191 S CA 1.396 59.587 58.200 -0.015 0.000 0.988 191 S CB -0.414 62.767 63.200 -0.032 0.000 0.838 191 S HN 0.395 nan 8.310 nan 0.000 0.462 192 L N 1.287 122.521 121.223 0.017 0.000 2.083 192 L HA 0.014 4.354 4.340 -0.000 0.000 0.209 192 L C 2.678 179.552 176.870 0.006 0.000 1.083 192 L CA 1.639 56.487 54.840 0.013 0.000 0.752 192 L CB -0.681 41.398 42.059 0.033 0.000 0.899 192 L HN 0.417 nan 8.230 nan 0.000 0.433 193 A N -1.473 121.355 122.820 0.013 0.000 1.898 193 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 193 A C 2.344 179.925 177.584 -0.005 0.000 1.181 193 A CA 2.121 54.163 52.037 0.008 0.000 0.620 193 A CB -0.852 18.158 19.000 0.017 0.000 0.819 193 A HN 0.510 nan 8.150 nan 0.000 0.442 194 T N -5.755 108.791 114.554 -0.012 0.000 3.015 194 T HA 0.416 4.766 4.350 -0.000 0.000 0.250 194 T C 1.471 176.143 174.700 -0.046 0.000 1.057 194 T CA 1.157 63.241 62.100 -0.027 0.000 1.066 194 T CB 0.321 69.171 68.868 -0.030 0.000 0.959 194 T HN 1.717 nan 8.240 nan 0.000 0.488 195 G N 0.889 109.656 108.800 -0.055 0.000 2.176 195 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 195 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 195 G C 0.096 174.924 174.900 -0.120 0.000 0.979 195 G CA 0.024 45.078 45.100 -0.077 0.000 0.641 195 G HN 0.706 nan 8.290 nan 0.000 0.530 196 V N 3.126 122.965 119.914 -0.125 0.000 2.775 196 V HA 0.459 4.579 4.120 -0.000 0.000 0.299 196 V C -1.023 174.927 176.094 -0.239 0.000 1.062 196 V CA -0.905 61.288 62.300 -0.179 0.000 1.063 196 V CB 1.462 33.200 31.823 -0.142 0.000 0.994 196 V HN 0.243 nan 8.190 nan 0.000 0.483 197 P HA 0.302 nan 4.420 nan 0.000 0.276 197 P C -1.130 175.993 177.300 -0.294 0.000 1.252 197 P CA -0.261 62.540 63.100 -0.499 0.000 0.802 197 P CB 1.083 32.003 31.700 -1.301 0.000 1.035 198 V N 0.694 120.515 119.914 -0.155 0.000 2.495 198 V HA 0.483 4.603 4.120 -0.000 0.000 0.298 198 V C 0.351 176.510 176.094 0.110 0.000 1.031 198 V CA -0.218 62.045 62.300 -0.062 0.000 0.871 198 V CB 1.544 33.289 31.823 -0.130 0.000 0.988 198 V HN 0.616 nan 8.190 nan 0.000 0.432 199 T N 3.359 117.971 114.554 0.096 0.000 2.841 199 T HA 0.671 5.021 4.350 -0.000 0.000 0.285 199 T C -0.254 174.458 174.700 0.020 0.000 0.991 199 T CA -0.160 62.034 62.100 0.156 0.000 0.966 199 T CB 1.209 70.262 68.868 0.308 0.000 0.962 199 T HN 1.032 nan 8.240 nan 0.000 0.438 200 T N 1.619 116.185 114.554 0.020 0.000 2.930 200 T HA 0.589 4.938 4.350 -0.000 0.000 0.290 200 T C -0.779 173.906 174.700 -0.024 0.000 1.052 200 T CA -0.782 61.283 62.100 -0.058 0.000 1.017 200 T CB 1.174 70.071 68.868 0.048 0.000 1.137 200 T HN 0.713 nan 8.240 nan 0.000 0.511 201 H N 0.907 119.823 119.070 -0.257 0.000 2.481 201 H HA 0.472 5.028 4.556 -0.000 0.000 0.333 201 H C 0.233 175.461 175.328 -0.166 0.000 1.066 201 H CA -1.113 54.728 56.048 -0.345 0.000 1.209 201 H CB 1.398 30.831 29.762 -0.548 0.000 1.445 201 H HN 0.881 nan 8.280 nan 0.000 0.488 202 T N 0.846 115.403 114.554 0.004 0.000 2.869 202 T HA 0.509 4.858 4.350 -0.000 0.000 0.295 202 T C 0.904 175.617 174.700 0.021 0.000 0.987 202 T CA -0.934 61.153 62.100 -0.022 0.000 1.109 202 T CB 1.489 70.312 68.868 -0.075 0.000 0.932 202 T HN 0.630 nan 8.240 nan 0.000 0.518 203 A N 2.476 125.293 122.820 -0.004 0.000 2.311 203 A HA 0.687 5.006 4.320 -0.000 0.000 0.272 203 A C 2.012 179.585 177.584 -0.018 0.000 1.438 203 A CA -0.013 52.013 52.037 -0.019 0.000 0.819 203 A CB -0.891 18.090 19.000 -0.032 0.000 1.336 203 A HN 1.349 nan 8.150 nan 0.000 0.528 204 A N -0.975 121.824 122.820 -0.035 0.000 2.067 204 A HA 0.277 4.597 4.320 -0.000 0.000 0.217 204 A C 1.495 179.056 177.584 -0.038 0.000 1.156 204 A CA 1.013 53.029 52.037 -0.034 0.000 0.683 204 A CB -0.905 18.070 19.000 -0.041 0.000 0.808 204 A HN 0.675 nan 8.150 nan 0.000 0.455 205 S N 0.107 115.783 115.700 -0.041 0.000 2.572 205 S HA 0.132 4.602 4.470 -0.000 0.000 0.262 205 S C 0.158 174.713 174.600 -0.075 0.000 1.375 205 S CA 0.053 58.223 58.200 -0.050 0.000 0.996 205 S CB 0.189 63.362 63.200 -0.045 0.000 0.892 205 S HN 0.600 nan 8.310 nan 0.000 0.562 206 Q N 0.148 119.893 119.800 -0.091 0.000 2.241 206 Q HA 0.441 4.781 4.340 -0.000 0.000 0.254 206 Q C -0.099 175.784 176.000 -0.195 0.000 0.917 206 Q CA -0.391 55.324 55.803 -0.146 0.000 0.919 206 Q CB 0.750 29.414 28.738 -0.123 0.000 1.237 206 Q HN 0.477 nan 8.270 nan 0.000 0.434 207 R N 1.364 121.632 120.500 -0.387 0.000 3.516 207 R HA -0.276 4.064 4.340 -0.000 0.000 0.271 207 R C 0.141 176.365 176.300 -0.127 0.000 1.098 207 R CA 0.692 56.504 56.100 -0.481 0.000 0.732 207 R CB -1.205 28.891 30.300 -0.340 0.000 1.152 207 R HN 0.765 nan 8.270 nan 0.000 0.455 208 D N -0.335 120.010 120.400 -0.091 0.000 2.221 208 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 208 D C 1.934 178.246 176.300 0.019 0.000 0.982 208 D CA 1.818 55.800 54.000 -0.029 0.000 0.857 208 D CB -0.212 40.572 40.800 -0.027 0.000 0.934 208 D HN 0.465 nan 8.370 nan 0.000 0.475 209 G N -0.182 108.689 108.800 0.118 0.000 2.422 209 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 209 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 209 G C 1.585 176.524 174.900 0.065 0.000 1.140 209 G CA 0.627 45.811 45.100 0.139 0.000 0.775 209 G HN 0.358 nan 8.290 nan 0.000 0.545 210 E N -0.198 120.073 120.200 0.119 0.000 2.106 210 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 210 E C 2.473 179.072 176.600 -0.002 0.000 0.984 210 E CA 0.722 57.154 56.400 0.054 0.000 0.806 210 E CB -0.094 29.656 29.700 0.084 0.000 0.750 210 E HN 0.473 nan 8.360 nan 0.000 0.458 211 Q N 0.368 120.161 119.800 -0.012 0.000 2.167 211 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 211 Q C 2.100 178.050 176.000 -0.084 0.000 0.970 211 Q CA 1.114 56.892 55.803 -0.042 0.000 0.855 211 Q CB 0.171 28.882 28.738 -0.044 0.000 0.911 211 Q HN 0.355 nan 8.270 nan 0.000 0.438 212 Q N -0.607 119.142 119.800 -0.086 0.000 2.083 212 Q HA -0.106 4.234 4.340 -0.000 0.000 0.198 212 Q C 2.101 178.026 176.000 -0.125 0.000 0.969 212 Q CA 1.086 56.796 55.803 -0.154 0.000 0.838 212 Q CB -0.138 28.589 28.738 -0.019 0.000 0.900 212 Q HN 0.353 nan 8.270 nan 0.000 0.436 213 A N 1.543 124.333 122.820 -0.049 0.000 1.908 213 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 213 A C 2.347 180.006 177.584 0.125 0.000 1.181 213 A CA 1.797 53.828 52.037 -0.010 0.000 0.627 213 A CB -0.840 17.997 19.000 -0.271 0.000 0.818 213 A HN 0.407 nan 8.150 nan 0.000 0.445 214 A N -0.075 122.757 122.820 0.020 0.000 1.883 214 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 214 A C 2.132 179.706 177.584 -0.017 0.000 1.186 214 A CA 1.601 53.650 52.037 0.019 0.000 0.624 214 A CB -0.636 18.359 19.000 -0.008 0.000 0.822 214 A HN 0.520 nan 8.150 nan 0.000 0.444 215 I N -1.745 118.741 120.570 -0.140 0.000 2.226 215 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 215 I C 2.239 178.249 176.117 -0.177 0.000 1.100 215 I CA 1.335 62.494 61.300 -0.234 0.000 1.374 215 I CB -0.409 37.338 38.000 -0.422 0.000 1.057 215 I HN 0.284 nan 8.210 nan 0.000 0.413 216 F N 1.217 121.207 119.950 0.065 0.000 2.146 216 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 216 F C 2.527 178.385 175.800 0.097 0.000 1.096 216 F CA 1.246 59.304 58.000 0.098 0.000 1.275 216 F CB -0.770 38.339 39.000 0.181 0.000 1.008 216 F HN 0.067 nan 8.300 nan 0.000 0.480 217 E N -0.134 120.253 120.200 0.313 0.000 2.077 217 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 217 E C 2.227 178.900 176.600 0.121 0.000 0.989 217 E CA 1.615 58.138 56.400 0.206 0.000 0.800 217 E CB -0.370 29.449 29.700 0.198 0.000 0.746 217 E HN 0.383 nan 8.360 nan 0.000 0.452 218 S N 0.668 116.417 115.700 0.083 0.000 2.547 218 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 218 S C 1.510 176.139 174.600 0.048 0.000 0.980 218 S CA 0.611 58.839 58.200 0.047 0.000 0.941 218 S CB 0.076 63.286 63.200 0.018 0.000 0.763 218 S HN 0.117 nan 8.310 nan 0.000 0.532 219 E N 0.658 120.905 120.200 0.077 0.000 2.472 219 E HA 0.208 4.558 4.350 -0.000 0.000 0.196 219 E C 1.345 177.992 176.600 0.080 0.000 1.033 219 E CA 0.540 56.986 56.400 0.076 0.000 0.886 219 E CB 0.226 29.984 29.700 0.096 0.000 0.944 219 E HN 0.702 nan 8.360 nan 0.000 0.492 220 G N 1.797 110.648 108.800 0.085 0.000 2.141 220 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 220 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 220 G C 0.031 174.968 174.900 0.062 0.000 0.982 220 G CA 0.329 45.467 45.100 0.063 0.000 0.662 220 G HN 0.224 nan 8.290 nan 0.000 0.527 221 L N 2.049 123.333 121.223 0.101 0.000 2.360 221 L HA 0.687 5.027 4.340 -0.000 0.000 0.276 221 L C 1.042 177.926 176.870 0.023 0.000 1.121 221 L CA 0.268 55.152 54.840 0.073 0.000 0.845 221 L CB 1.297 43.434 42.059 0.129 0.000 1.143 221 L HN 0.380 nan 8.230 nan 0.000 0.452 222 S N 6.366 122.046 115.700 -0.033 0.000 2.537 222 S HA 0.216 4.686 4.470 -0.000 0.000 0.286 222 S C -1.530 172.962 174.600 -0.179 0.000 1.299 222 S CA -0.821 57.326 58.200 -0.088 0.000 1.067 222 S CB 0.638 63.791 63.200 -0.077 0.000 0.864 222 S HN 0.621 nan 8.310 nan 0.000 0.494 223 P HA -0.084 nan 4.420 nan 0.000 0.220 223 P C 1.506 178.540 177.300 -0.443 0.000 1.148 223 P CA 1.141 63.793 63.100 -0.747 0.000 0.803 223 P CB -0.216 30.640 31.700 -1.407 0.000 0.782 224 S N -1.093 114.456 115.700 -0.252 0.000 2.547 224 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 224 S C 1.678 176.283 174.600 0.009 0.000 0.980 224 S CA 0.553 58.692 58.200 -0.101 0.000 0.941 224 S CB -0.656 62.502 63.200 -0.070 0.000 0.763 224 S HN -0.042 nan 8.310 nan 0.000 0.532 225 R N 0.693 121.165 120.500 -0.046 0.000 2.300 225 R HA 0.396 4.736 4.340 -0.000 0.000 0.199 225 R C -0.183 176.143 176.300 0.043 0.000 0.920 225 R CA -0.014 56.064 56.100 -0.036 0.000 1.046 225 R CB -0.391 29.842 30.300 -0.112 0.000 0.984 225 R HN 0.410 nan 8.270 nan 0.000 0.493 226 V N 0.289 120.231 119.914 0.047 0.000 2.495 226 V HA 0.292 4.411 4.120 -0.000 0.000 0.298 226 V C -0.333 175.831 176.094 0.117 0.000 1.031 226 V CA -1.349 60.967 62.300 0.026 0.000 0.871 226 V CB 2.360 34.036 31.823 -0.244 0.000 0.988 226 V HN 0.091 nan 8.190 nan 0.000 0.432 227 C N 7.006 126.351 119.300 0.075 0.000 2.281 227 C HA 0.585 5.045 4.460 -0.000 0.000 0.323 227 C C -0.038 174.949 174.990 -0.005 0.000 1.270 227 C CA -0.579 58.396 59.018 -0.072 0.000 1.559 227 C CB -0.903 26.670 27.740 -0.277 0.000 2.239 227 C HN 0.779 nan 8.230 nan 0.000 0.488 228 I N 6.593 127.155 120.570 -0.012 0.000 2.301 228 I HA 0.316 4.485 4.170 -0.000 0.000 0.292 228 I C 1.111 177.136 176.117 -0.152 0.000 1.046 228 I CA 0.384 61.652 61.300 -0.052 0.000 1.282 228 I CB 0.570 38.547 38.000 -0.037 0.000 1.409 228 I HN 0.874 nan 8.210 nan 0.000 0.484 229 G N 5.242 113.930 108.800 -0.187 0.000 2.400 229 G HA2 0.543 4.503 3.960 -0.000 0.000 0.301 229 G HA3 0.543 4.503 3.960 -0.000 0.000 0.301 229 G C -0.963 173.727 174.900 -0.349 0.000 1.154 229 G CA -0.259 44.754 45.100 -0.147 0.000 0.852 229 G HN 0.666 nan 8.290 nan 0.000 0.511 230 H N -0.546 118.584 119.070 0.101 0.000 2.690 230 H HA 0.373 4.929 4.556 -0.000 0.000 0.368 230 H C 0.907 176.205 175.328 -0.050 0.000 1.150 230 H CA -0.240 55.856 56.048 0.081 0.000 1.174 230 H CB 2.263 32.063 29.762 0.063 0.000 1.684 230 H HN 0.472 nan 8.280 nan 0.000 0.538 231 S N 0.236 115.924 115.700 -0.019 0.000 2.501 231 S HA 0.037 4.507 4.470 -0.000 0.000 0.220 231 S C 0.309 174.978 174.600 0.115 0.000 0.997 231 S CA 0.609 58.696 58.200 -0.187 0.000 0.919 231 S CB -0.176 62.833 63.200 -0.318 0.000 0.778 231 S HN 0.760 nan 8.310 nan 0.000 0.523 232 D N 0.224 120.837 120.400 0.354 0.000 2.921 232 D HA 0.239 4.879 4.640 -0.000 0.000 0.329 232 D C -0.903 175.650 176.300 0.422 0.000 1.293 232 D CA -0.239 53.859 54.000 0.163 0.000 0.964 232 D CB -0.157 40.600 40.800 -0.072 0.000 1.435 232 D HN 0.026 nan 8.370 nan 0.000 0.548 233 D N -1.582 118.928 120.400 0.184 0.000 2.368 233 D HA 0.013 4.652 4.640 -0.000 0.000 0.218 233 D C 1.230 177.599 176.300 0.115 0.000 1.112 233 D CA 0.530 54.669 54.000 0.231 0.000 0.834 233 D CB -0.397 40.497 40.800 0.156 0.000 0.953 233 D HN 0.429 nan 8.370 nan 0.000 0.505 234 T N -2.528 112.075 114.554 0.082 0.000 3.055 234 T HA -0.069 4.281 4.350 -0.000 0.000 0.265 234 T C 0.515 175.248 174.700 0.054 0.000 1.111 234 T CA 0.014 62.142 62.100 0.046 0.000 1.118 234 T CB -0.314 68.562 68.868 0.014 0.000 0.909 234 T HN 0.008 nan 8.240 nan 0.000 0.501 235 D N 2.253 122.705 120.400 0.087 0.000 2.382 235 D HA 0.102 4.742 4.640 -0.000 0.000 0.240 235 D C -0.515 175.850 176.300 0.108 0.000 1.146 235 D CA -0.016 54.046 54.000 0.103 0.000 0.897 235 D CB 0.528 41.452 40.800 0.208 0.000 1.197 235 D HN 0.339 nan 8.370 nan 0.000 0.432 236 D N 0.565 121.038 120.400 0.121 0.000 2.417 236 D HA -0.021 4.619 4.640 -0.000 0.000 0.250 236 D C 1.068 177.445 176.300 0.128 0.000 1.166 236 D CA -0.289 53.777 54.000 0.110 0.000 0.881 236 D CB 0.841 41.696 40.800 0.093 0.000 1.164 236 D HN 0.191 nan 8.370 nan 0.000 0.467 237 L N 3.286 124.548 121.223 0.064 0.000 2.127 237 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 237 L C 2.110 178.985 176.870 0.008 0.000 1.089 237 L CA 1.708 56.562 54.840 0.024 0.000 0.757 237 L CB -0.506 41.571 42.059 0.029 0.000 0.899 237 L HN 0.552 nan 8.230 nan 0.000 0.434 238 S N -1.672 114.055 115.700 0.045 0.000 2.382 238 S HA -0.286 4.184 4.470 -0.000 0.000 0.228 238 S C 2.012 176.638 174.600 0.043 0.000 1.027 238 S CA 1.265 59.490 58.200 0.042 0.000 0.991 238 S CB -1.182 62.051 63.200 0.055 0.000 0.823 238 S HN 0.605 nan 8.310 nan 0.000 0.469 239 Y N 2.813 123.087 120.300 -0.043 0.000 2.163 239 Y HA 0.054 4.604 4.550 -0.000 0.000 0.288 239 Y C 1.914 177.760 175.900 -0.089 0.000 1.136 239 Y CA 0.980 59.049 58.100 -0.052 0.000 1.147 239 Y CB -0.700 37.734 38.460 -0.044 0.000 0.987 239 Y HN 0.174 nan 8.280 nan 0.000 0.509 240 L N 0.172 121.082 121.223 -0.521 0.000 2.012 240 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 240 L C 2.716 179.293 176.870 -0.487 0.000 1.073 240 L CA 2.276 56.723 54.840 -0.654 0.000 0.748 240 L CB -1.269 40.543 42.059 -0.412 0.000 0.891 240 L HN 0.437 nan 8.230 nan 0.000 0.431 241 T N -2.530 111.820 114.554 -0.340 0.000 2.833 241 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 241 T C 1.906 176.381 174.700 -0.375 0.000 1.054 241 T CA 0.960 62.811 62.100 -0.415 0.000 1.135 241 T CB -0.400 68.391 68.868 -0.130 0.000 0.869 241 T HN 0.324 nan 8.240 nan 0.000 0.466 242 A N 1.273 123.960 122.820 -0.222 0.000 1.930 242 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 242 A C 2.312 179.816 177.584 -0.134 0.000 1.175 242 A CA 1.139 53.101 52.037 -0.124 0.000 0.627 242 A CB -0.833 18.139 19.000 -0.047 0.000 0.815 242 A HN 0.421 nan 8.150 nan 0.000 0.443 243 L N -0.352 120.736 121.223 -0.225 0.000 2.027 243 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 243 L C 2.885 179.714 176.870 -0.068 0.000 1.074 243 L CA 1.920 56.675 54.840 -0.141 0.000 0.745 243 L CB -1.065 40.810 42.059 -0.307 0.000 0.898 243 L HN 0.384 nan 8.230 nan 0.000 0.433 244 A N -0.918 121.728 122.820 -0.290 0.000 1.933 244 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 244 A C 2.432 179.869 177.584 -0.245 0.000 1.175 244 A CA 1.676 53.500 52.037 -0.355 0.000 0.628 244 A CB -0.916 17.629 19.000 -0.757 0.000 0.814 244 A HN 0.445 nan 8.150 nan 0.000 0.444 245 A N -0.269 122.404 122.820 -0.245 0.000 1.978 245 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 245 A C 2.135 179.735 177.584 0.027 0.000 1.170 245 A CA 1.579 53.614 52.037 -0.004 0.000 0.636 245 A CB -0.389 18.630 19.000 0.031 0.000 0.810 245 A HN 0.533 nan 8.150 nan 0.000 0.448 246 R N -1.712 118.810 120.500 0.035 0.000 2.307 246 R HA 0.189 4.529 4.340 -0.000 0.000 0.199 246 R C 1.374 177.639 176.300 -0.058 0.000 1.000 246 R CA 0.676 56.811 56.100 0.059 0.000 1.023 246 R CB -0.034 30.384 30.300 0.196 0.000 0.908 246 R HN 0.696 nan 8.270 nan 0.000 0.473 247 G N -1.215 107.541 108.800 -0.073 0.000 2.218 247 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 247 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 247 G C -0.202 174.543 174.900 -0.259 0.000 0.994 247 G CA -0.586 44.411 45.100 -0.172 0.000 0.637 247 G HN 0.199 nan 8.290 nan 0.000 0.505 248 Y N 0.154 120.417 120.300 -0.060 0.000 2.379 248 Y HA 0.577 5.127 4.550 -0.000 0.000 0.337 248 Y C 1.081 176.917 175.900 -0.107 0.000 1.238 248 Y CA -0.388 57.666 58.100 -0.077 0.000 1.405 248 Y CB 0.530 38.947 38.460 -0.072 0.000 1.310 248 Y HN 0.139 nan 8.280 nan 0.000 0.569 249 L N 3.417 124.669 121.223 0.049 0.000 2.334 249 L HA 0.252 4.592 4.340 -0.000 0.000 0.277 249 L C -0.591 176.240 176.870 -0.066 0.000 1.075 249 L CA -0.087 54.703 54.840 -0.084 0.000 0.804 249 L CB 0.546 42.444 42.059 -0.268 0.000 1.174 249 L HN 0.395 nan 8.230 nan 0.000 0.438 250 I N 2.781 123.287 120.570 -0.107 0.000 2.304 250 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 250 I C 0.675 176.714 176.117 -0.130 0.000 1.018 250 I CA -0.150 61.091 61.300 -0.098 0.000 1.260 250 I CB 0.694 38.590 38.000 -0.174 0.000 1.390 250 I HN 0.590 nan 8.210 nan 0.000 0.475 251 G N 7.003 115.761 108.800 -0.069 0.000 2.372 251 G HA2 0.641 4.601 3.960 -0.000 0.000 0.323 251 G HA3 0.641 4.601 3.960 -0.000 0.000 0.323 251 G C -0.508 174.238 174.900 -0.257 0.000 1.152 251 G CA -0.456 44.527 45.100 -0.195 0.000 0.906 251 G HN 0.526 nan 8.290 nan 0.000 0.460 252 L N 2.991 123.874 121.223 -0.568 0.000 2.504 252 L HA 0.305 4.645 4.340 -0.000 0.000 0.249 252 L C 0.006 176.324 176.870 -0.920 0.000 1.120 252 L CA -0.522 53.516 54.840 -1.337 0.000 0.997 252 L CB 0.976 41.939 42.059 -1.826 0.000 1.349 252 L HN 0.743 nan 8.230 nan 0.000 0.439 253 D N -1.475 118.650 120.400 -0.459 0.000 2.520 253 D HA 0.063 4.703 4.640 -0.000 0.000 0.223 253 D C 0.311 176.705 176.300 0.157 0.000 1.186 253 D CA 0.120 54.008 54.000 -0.187 0.000 0.821 253 D CB 0.501 40.872 40.800 -0.715 0.000 1.072 253 D HN 0.415 nan 8.370 nan 0.000 0.518 254 H N -1.377 117.772 119.070 0.132 0.000 2.981 254 H HA 0.484 5.040 4.556 -0.000 0.000 0.327 254 H C -1.674 173.762 175.328 0.179 0.000 1.342 254 H CA -1.075 55.051 56.048 0.130 0.000 1.123 254 H CB 0.655 30.310 29.762 -0.179 0.000 1.851 254 H HN -0.198 nan 8.280 nan 0.000 0.531 255 I N 1.977 122.666 120.570 0.199 0.000 2.439 255 I HA 0.253 4.423 4.170 -0.000 0.000 0.285 255 I C -2.621 173.687 176.117 0.318 0.000 1.021 255 I CA -2.252 59.130 61.300 0.136 0.000 1.091 255 I CB 1.068 39.165 38.000 0.161 0.000 1.242 255 I HN 0.308 nan 8.210 nan 0.000 0.439 256 P HA 0.090 nan 4.420 nan 0.000 0.265 256 P C -0.448 177.127 177.300 0.459 0.000 1.193 256 P CA 0.235 63.548 63.100 0.354 0.000 0.765 256 P CB 0.048 31.884 31.700 0.225 0.000 0.823 257 H N 0.874 120.226 119.070 0.470 0.000 2.955 257 H HA 0.316 4.872 4.556 -0.000 0.000 0.290 257 H C 0.582 176.127 175.328 0.361 0.000 1.047 257 H CA -0.233 56.032 56.048 0.362 0.000 1.484 257 H CB 0.212 30.124 29.762 0.249 0.000 1.501 257 H HN 0.442 nan 8.280 nan 0.000 0.521 258 S N 1.724 117.650 115.700 0.376 0.000 2.579 258 S HA 0.552 5.022 4.470 -0.000 0.000 0.272 258 S C 0.694 175.413 174.600 0.199 0.000 1.141 258 S CA -0.483 57.875 58.200 0.264 0.000 0.843 258 S CB 1.796 65.115 63.200 0.198 0.000 1.122 258 S HN 0.562 nan 8.310 nan 0.000 0.468 259 A N 1.574 124.487 122.820 0.156 0.000 1.897 259 A HA 0.260 4.580 4.320 -0.000 0.000 0.215 259 A C 1.183 178.830 177.584 0.105 0.000 1.181 259 A CA 0.573 52.681 52.037 0.118 0.000 0.620 259 A CB -1.284 17.774 19.000 0.096 0.000 0.821 259 A HN 0.866 nan 8.150 nan 0.000 0.443 271 L N -0.104 121.103 121.223 -0.026 0.000 2.068 271 L HA 0.088 4.428 4.340 -0.000 0.000 0.204 271 L C 1.981 178.835 176.870 -0.028 0.000 1.076 271 L CA 1.353 56.179 54.840 -0.023 0.000 0.753 271 L CB -0.100 41.946 42.059 -0.022 0.000 0.910 271 L HN 0.453 nan 8.230 nan 0.000 0.439 272 L N -0.430 120.771 121.223 -0.036 0.000 2.610 272 L HA 0.115 4.455 4.340 -0.000 0.000 0.232 272 L C 1.223 178.063 176.870 -0.049 0.000 1.149 272 L CA 0.614 55.428 54.840 -0.042 0.000 0.872 272 L CB -0.756 41.271 42.059 -0.052 0.000 0.992 272 L HN 0.406 nan 8.230 nan 0.000 0.447 273 G N 0.188 108.961 108.800 -0.045 0.000 2.598 273 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.244 273 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.244 273 G C -0.463 174.397 174.900 -0.066 0.000 1.302 273 G CA -0.224 44.848 45.100 -0.046 0.000 0.903 273 G HN 0.028 nan 8.290 nan 0.000 0.575 274 I N 1.149 121.676 120.570 -0.072 0.000 2.448 274 I HA 0.468 4.637 4.170 -0.000 0.000 0.281 274 I C 0.529 176.576 176.117 -0.116 0.000 1.027 274 I CA -0.447 60.792 61.300 -0.101 0.000 1.111 274 I CB 1.684 39.633 38.000 -0.084 0.000 1.236 274 I HN 0.568 nan 8.210 nan 0.000 0.452 275 R N 2.918 123.331 120.500 -0.145 0.000 2.582 275 R HA 0.559 4.899 4.340 -0.000 0.000 0.271 275 R C 0.480 176.672 176.300 -0.179 0.000 1.078 275 R CA -0.469 55.540 56.100 -0.152 0.000 1.127 275 R CB 0.646 30.860 30.300 -0.145 0.000 1.038 275 R HN 0.705 nan 8.270 nan 0.000 0.500 276 S N 1.771 117.360 115.700 -0.185 0.000 2.652 276 S HA 0.104 4.574 4.470 -0.000 0.000 0.270 276 S C 1.057 175.532 174.600 -0.208 0.000 1.243 276 S CA -0.967 57.093 58.200 -0.232 0.000 0.999 276 S CB 0.580 63.586 63.200 -0.324 0.000 0.973 276 S HN 0.920 nan 8.310 nan 0.000 0.544 277 W N 1.053 122.265 121.300 -0.147 0.000 2.519 277 W HA -0.056 4.604 4.660 -0.000 0.000 0.266 277 W C 1.029 177.453 176.519 -0.158 0.000 1.253 277 W CA 0.674 57.956 57.345 -0.104 0.000 1.274 277 W CB -0.985 28.541 29.460 0.111 0.000 1.114 277 W HN 0.661 nan 8.180 nan 0.000 0.596 278 Q N 1.593 120.765 119.800 -1.046 0.000 2.050 278 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 278 Q C 2.639 178.401 176.000 -0.397 0.000 0.980 278 Q CA 3.825 58.897 55.803 -1.218 0.000 0.840 278 Q CB -1.006 26.930 28.738 -1.337 0.000 0.898 278 Q HN 0.414 nan 8.270 nan 0.000 0.424 279 T N -1.214 113.188 114.554 -0.253 0.000 2.708 279 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 279 T C 1.800 176.506 174.700 0.010 0.000 1.037 279 T CA 1.165 63.219 62.100 -0.076 0.000 1.146 279 T CB -0.202 68.614 68.868 -0.087 0.000 0.865 279 T HN 0.159 nan 8.240 nan 0.000 0.435 280 R N 1.238 121.723 120.500 -0.024 0.000 2.096 280 R HA 0.101 4.441 4.340 -0.000 0.000 0.235 280 R C 3.011 179.495 176.300 0.307 0.000 1.127 280 R CA 1.258 57.380 56.100 0.038 0.000 0.968 280 R CB -0.792 29.315 30.300 -0.322 0.000 0.861 280 R HN 0.575 nan 8.270 nan 0.000 0.440 281 A N 1.242 124.247 122.820 0.307 0.000 1.978 281 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 281 A C 2.130 179.941 177.584 0.378 0.000 1.170 281 A CA 1.189 53.478 52.037 0.419 0.000 0.636 281 A CB -0.518 18.764 19.000 0.469 0.000 0.810 281 A HN 0.208 nan 8.150 nan 0.000 0.448 282 L N -1.070 120.341 121.223 0.314 0.000 2.131 282 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 282 L C 2.480 179.463 176.870 0.187 0.000 1.092 282 L CA 0.926 55.910 54.840 0.240 0.000 0.759 282 L CB -0.511 41.658 42.059 0.183 0.000 0.903 282 L HN 0.483 nan 8.230 nan 0.000 0.435 283 L N 0.255 121.609 121.223 0.218 0.000 2.083 283 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 283 L C 2.298 179.249 176.870 0.136 0.000 1.083 283 L CA 1.720 56.671 54.840 0.184 0.000 0.752 283 L CB -0.376 41.848 42.059 0.274 0.000 0.899 283 L HN 0.108 nan 8.230 nan 0.000 0.433 284 I N -0.436 120.233 120.570 0.166 0.000 2.208 284 I HA -0.349 3.821 4.170 -0.000 0.000 0.245 284 I C 2.573 178.742 176.117 0.087 0.000 1.097 284 I CA 1.716 63.077 61.300 0.103 0.000 1.363 284 I CB -0.464 37.620 38.000 0.140 0.000 1.051 284 I HN 0.319 nan 8.210 nan 0.000 0.413 285 K N 1.269 121.734 120.400 0.109 0.000 2.063 285 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 285 K C 2.219 178.853 176.600 0.057 0.000 1.048 285 K CA 1.613 57.945 56.287 0.075 0.000 0.928 285 K CB -0.150 32.396 32.500 0.077 0.000 0.713 285 K HN 0.306 nan 8.250 nan 0.000 0.442 286 A N 1.154 124.014 122.820 0.068 0.000 1.877 286 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 286 A C 2.124 179.747 177.584 0.065 0.000 1.186 286 A CA 1.424 53.496 52.037 0.058 0.000 0.620 286 A CB -0.675 18.363 19.000 0.063 0.000 0.822 286 A HN 0.336 nan 8.150 nan 0.000 0.443 287 L N -0.748 120.519 121.223 0.072 0.000 2.083 287 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 287 L C 2.520 179.458 176.870 0.113 0.000 1.083 287 L CA 1.195 56.102 54.840 0.112 0.000 0.752 287 L CB -0.450 41.646 42.059 0.062 0.000 0.899 287 L HN 0.403 nan 8.230 nan 0.000 0.433 288 I N -0.211 120.392 120.570 0.055 0.000 2.142 288 I HA -0.316 3.854 4.170 -0.000 0.000 0.240 288 I C 2.119 178.225 176.117 -0.018 0.000 1.078 288 I CA 1.340 62.650 61.300 0.016 0.000 1.343 288 I CB -0.316 37.693 38.000 0.015 0.000 1.046 288 I HN 0.269 nan 8.210 nan 0.000 0.405 289 D N 0.369 120.767 120.400 -0.002 0.000 2.182 289 D HA -0.192 4.448 4.640 -0.000 0.000 0.201 289 D C 2.095 178.373 176.300 -0.038 0.000 0.986 289 D CA 1.030 55.020 54.000 -0.016 0.000 0.847 289 D CB -0.262 40.539 40.800 0.002 0.000 0.942 289 D HN 0.333 nan 8.370 nan 0.000 0.467 290 Q N -0.675 119.116 119.800 -0.015 0.000 2.488 290 Q HA 0.096 4.436 4.340 -0.000 0.000 0.211 290 Q C 1.325 177.131 176.000 -0.323 0.000 0.967 290 Q CA 0.843 56.621 55.803 -0.042 0.000 0.926 290 Q CB 0.552 29.389 28.738 0.165 0.000 0.992 290 Q HN 0.412 nan 8.270 nan 0.000 0.506 291 G N 0.042 108.641 108.800 -0.336 0.000 2.159 291 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.227 291 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.227 291 G C 0.070 174.575 174.900 -0.659 0.000 0.986 291 G CA -0.111 44.694 45.100 -0.491 0.000 0.651 291 G HN 0.353 nan 8.290 nan 0.000 0.523 292 Y N 0.766 121.046 120.300 -0.032 0.000 2.625 292 Y HA 0.340 4.890 4.550 -0.000 0.000 0.285 292 Y C 2.543 178.416 175.900 -0.045 0.000 1.168 292 Y CA 0.369 58.445 58.100 -0.041 0.000 1.250 292 Y CB -0.313 38.116 38.460 -0.051 0.000 1.130 292 Y HN 0.506 nan 8.280 nan 0.000 0.526 293 M N -0.789 118.828 119.600 0.027 0.000 2.260 293 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 293 M C 1.068 177.374 176.300 0.010 0.000 1.066 293 M CA 1.923 57.232 55.300 0.014 0.000 1.082 293 M CB -0.314 32.278 32.600 -0.014 0.000 1.388 293 M HN 0.089 nan 8.290 nan 0.000 0.419 294 K N 0.397 120.808 120.400 0.019 0.000 2.486 294 K HA 0.019 4.339 4.320 -0.000 0.000 0.194 294 K C 0.941 177.546 176.600 0.008 0.000 1.033 294 K CA 0.561 56.853 56.287 0.009 0.000 1.004 294 K CB 0.170 32.676 32.500 0.010 0.000 0.798 294 K HN 0.577 nan 8.250 nan 0.000 0.495 295 Q N 0.299 120.115 119.800 0.027 0.000 2.157 295 Q HA 0.244 4.584 4.340 -0.000 0.000 0.229 295 Q C -0.241 175.719 176.000 -0.065 0.000 0.827 295 Q CA 0.110 55.904 55.803 -0.015 0.000 1.055 295 Q CB 0.721 29.466 28.738 0.011 0.000 1.157 295 Q HN 0.257 nan 8.270 nan 0.000 0.482 296 I N 1.100 121.631 120.570 -0.065 0.000 2.493 296 I HA 0.431 4.600 4.170 -0.000 0.000 0.298 296 I C -0.458 175.588 176.117 -0.119 0.000 0.998 296 I CA -0.852 60.388 61.300 -0.100 0.000 1.137 296 I CB 1.654 39.610 38.000 -0.073 0.000 1.310 296 I HN -0.111 nan 8.210 nan 0.000 0.445 297 L N 6.473 127.606 121.223 -0.150 0.000 2.409 297 L HA 0.689 5.029 4.340 -0.000 0.000 0.272 297 L C -0.946 175.844 176.870 -0.133 0.000 0.980 297 L CA -0.802 53.971 54.840 -0.113 0.000 0.826 297 L CB 2.307 44.303 42.059 -0.105 0.000 1.268 297 L HN 0.334 nan 8.230 nan 0.000 0.407 298 V N 2.227 122.109 119.914 -0.053 0.000 2.841 298 V HA 0.736 4.856 4.120 -0.000 0.000 0.310 298 V C -0.409 175.753 176.094 0.113 0.000 1.090 298 V CA -0.161 62.110 62.300 -0.048 0.000 0.930 298 V CB 2.639 34.437 31.823 -0.042 0.000 1.014 298 V HN 0.897 nan 8.190 nan 0.000 0.425 299 S N 4.231 120.041 115.700 0.183 0.000 2.648 299 S HA 0.493 4.963 4.470 -0.000 0.000 0.305 299 S C 0.657 175.473 174.600 0.360 0.000 1.094 299 S CA -0.748 57.623 58.200 0.286 0.000 0.983 299 S CB 1.641 65.026 63.200 0.308 0.000 1.101 299 S HN 0.724 nan 8.310 nan 0.000 0.514 300 N N 1.400 120.305 118.700 0.341 0.000 2.069 300 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 300 N C 0.878 176.620 175.510 0.388 0.000 1.031 300 N CA 1.889 55.174 53.050 0.392 0.000 0.852 300 N CB -0.691 37.968 38.487 0.288 0.000 1.018 300 N HN 0.690 nan 8.380 nan 0.000 0.423 301 D N -0.233 120.374 120.400 0.345 0.000 2.104 301 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 301 D C 1.715 178.215 176.300 0.335 0.000 0.994 301 D CA 0.620 54.827 54.000 0.345 0.000 0.830 301 D CB -0.520 40.496 40.800 0.360 0.000 0.959 301 D HN 0.397 nan 8.370 nan 0.000 0.452 302 W N 1.173 122.575 121.300 0.171 0.000 2.338 302 W HA -0.137 4.523 4.660 -0.000 0.000 0.304 302 W C 1.955 178.556 176.519 0.137 0.000 1.212 302 W CA 1.174 58.576 57.345 0.095 0.000 1.264 302 W CB -0.332 29.159 29.460 0.051 0.000 1.142 302 W HN -0.058 nan 8.180 nan 0.000 0.512 303 L N -0.743 120.749 121.223 0.449 0.000 2.027 303 L HA -0.200 4.140 4.340 -0.000 0.000 0.206 303 L C 2.458 179.505 176.870 0.296 0.000 1.074 303 L CA 1.473 56.541 54.840 0.380 0.000 0.745 303 L CB -1.193 41.224 42.059 0.595 0.000 0.898 303 L HN -0.031 nan 8.230 nan 0.000 0.433 304 F N 0.549 120.562 119.950 0.104 0.000 2.171 304 F HA -0.052 4.474 4.527 -0.000 0.000 0.300 304 F C 1.793 177.568 175.800 -0.043 0.000 1.090 304 F CA 1.295 59.234 58.000 -0.101 0.000 1.293 304 F CB -0.245 38.564 39.000 -0.319 0.000 1.013 304 F HN 0.217 nan 8.300 nan 0.000 0.486 305 G N -1.453 107.239 108.800 -0.180 0.000 2.179 305 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 305 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 305 G C 0.013 174.506 174.900 -0.678 0.000 0.990 305 G CA -0.033 44.760 45.100 -0.513 0.000 0.646 305 G HN 0.284 nan 8.290 nan 0.000 0.517 306 F N 0.507 120.483 119.950 0.043 0.000 2.588 306 F HA 0.708 5.235 4.527 0.000 0.000 0.310 306 F C 0.481 176.402 175.800 0.201 0.000 1.082 306 F CA -0.595 57.473 58.000 0.114 0.000 0.929 306 F CB 2.130 41.211 39.000 0.135 0.000 1.254 306 F HN 0.062 nan 8.300 nan 0.000 0.455 307 S N 0.935 116.882 115.700 0.412 0.000 2.465 307 S HA 0.144 4.614 4.470 -0.000 0.000 0.280 307 S C 1.143 175.947 174.600 0.341 0.000 1.232 307 S CA 0.004 58.444 58.200 0.400 0.000 1.066 307 S CB 0.434 63.899 63.200 0.442 0.000 0.929 307 S HN 0.767 nan 8.310 nan 0.000 0.494 308 S N 5.372 121.269 115.700 0.328 0.000 2.382 308 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 308 S C 1.585 176.288 174.600 0.172 0.000 1.027 308 S CA 1.135 59.469 58.200 0.224 0.000 0.991 308 S CB -1.009 62.319 63.200 0.213 0.000 0.823 308 S HN 0.902 nan 8.310 nan 0.000 0.469 309 Y N 2.693 123.029 120.300 0.060 0.000 2.081 309 Y HA -0.206 4.344 4.550 -0.000 0.000 0.280 309 Y C 2.361 178.157 175.900 -0.173 0.000 1.163 309 Y CA 1.870 59.883 58.100 -0.145 0.000 1.135 309 Y CB -0.721 37.458 38.460 -0.469 0.000 0.970 309 Y HN 0.133 nan 8.280 nan 0.000 0.498 310 V N -0.598 119.364 119.914 0.079 0.000 2.307 310 V HA -0.310 3.810 4.120 -0.000 0.000 0.245 310 V C 2.311 178.415 176.094 0.018 0.000 1.045 310 V CA 2.359 64.690 62.300 0.051 0.000 1.024 310 V CB -1.159 30.753 31.823 0.149 0.000 0.651 310 V HN 0.492 nan 8.190 nan 0.000 0.449 311 T N 0.964 115.547 114.554 0.049 0.000 2.685 311 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 311 T C 1.684 176.368 174.700 -0.027 0.000 1.034 311 T CA 1.921 64.028 62.100 0.011 0.000 1.149 311 T CB -0.468 68.413 68.868 0.022 0.000 0.860 311 T HN 0.505 nan 8.240 nan 0.000 0.449 312 N N 1.533 120.202 118.700 -0.053 0.000 2.443 312 N HA -0.027 4.713 4.740 -0.000 0.000 0.184 312 N C 1.635 177.123 175.510 -0.037 0.000 1.037 312 N CA 0.818 53.826 53.050 -0.071 0.000 0.896 312 N CB -0.339 38.078 38.487 -0.117 0.000 0.959 312 N HN 0.661 nan 8.380 nan 0.000 0.442 313 I N -4.403 116.155 120.570 -0.020 0.000 4.082 313 I HA 0.281 4.451 4.170 -0.000 0.000 0.337 313 I C 0.468 176.632 176.117 0.079 0.000 1.352 313 I CA -0.147 61.202 61.300 0.082 0.000 1.097 313 I CB 0.102 38.147 38.000 0.076 0.000 1.048 313 I HN -0.156 nan 8.210 nan 0.000 0.393 314 M N 1.646 121.264 119.600 0.029 0.000 2.283 314 M HA 0.199 4.679 4.480 -0.000 0.000 0.314 314 M C 0.575 176.880 176.300 0.008 0.000 1.153 314 M CA 0.133 55.447 55.300 0.024 0.000 1.084 314 M CB 1.275 33.879 32.600 0.006 0.000 1.468 314 M HN 0.097 nan 8.290 nan 0.000 0.474 315 D N 0.461 120.866 120.400 0.008 0.000 2.249 315 D HA 0.026 4.666 4.640 -0.000 0.000 0.205 315 D C 0.033 176.316 176.300 -0.029 0.000 0.962 315 D CA 0.922 54.919 54.000 -0.005 0.000 0.860 315 D CB 0.439 41.242 40.800 0.006 0.000 0.955 315 D HN 0.229 nan 8.370 nan 0.000 0.505 316 V N 2.087 121.981 119.914 -0.033 0.000 2.408 316 V HA 0.103 4.223 4.120 -0.000 0.000 0.267 316 V C 1.127 177.178 176.094 -0.072 0.000 1.047 316 V CA 0.068 62.337 62.300 -0.051 0.000 0.937 316 V CB 1.412 33.203 31.823 -0.053 0.000 0.999 316 V HN -0.015 nan 8.190 nan 0.000 0.472 317 M N 2.318 121.877 119.600 -0.068 0.000 2.561 317 M HA 0.026 4.506 4.480 -0.000 0.000 0.238 317 M C 1.604 177.859 176.300 -0.076 0.000 1.131 317 M CA 0.517 55.775 55.300 -0.071 0.000 1.046 317 M CB -0.039 32.525 32.600 -0.059 0.000 1.532 317 M HN 0.884 nan 8.290 nan 0.000 0.497 318 D N 0.353 120.702 120.400 -0.085 0.000 2.183 318 D HA -0.153 4.487 4.640 -0.000 0.000 0.203 318 D C 2.016 178.224 176.300 -0.154 0.000 0.969 318 D CA 1.113 55.059 54.000 -0.089 0.000 0.842 318 D CB 0.116 40.870 40.800 -0.077 0.000 0.957 318 D HN 0.176 nan 8.370 nan 0.000 0.484 319 R N -0.085 120.275 120.500 -0.233 0.000 2.276 319 R HA 0.085 4.425 4.340 -0.000 0.000 0.203 319 R C -0.020 176.146 176.300 -0.223 0.000 1.017 319 R CA 0.015 55.849 56.100 -0.442 0.000 1.010 319 R CB 0.147 30.202 30.300 -0.408 0.000 0.900 319 R HN 0.112 nan 8.270 nan 0.000 0.469 320 V N 2.206 122.055 119.914 -0.110 0.000 2.740 320 V HA -0.051 4.069 4.120 -0.000 0.000 0.303 320 V C 0.370 176.405 176.094 -0.098 0.000 1.054 320 V CA -0.225 62.025 62.300 -0.082 0.000 1.106 320 V CB 1.092 32.861 31.823 -0.090 0.000 0.957 320 V HN 0.199 nan 8.190 nan 0.000 0.486 321 N N 6.135 124.639 118.700 -0.326 0.000 2.469 321 N HA 0.253 4.993 4.740 -0.000 0.000 0.239 321 N C -1.300 173.968 175.510 -0.403 0.000 1.053 321 N CA -1.931 50.660 53.050 -0.766 0.000 0.937 321 N CB 1.597 39.382 38.487 -1.170 0.000 1.163 321 N HN 0.356 nan 8.380 nan 0.000 0.509 322 P HA -0.081 nan 4.420 nan 0.000 0.219 322 P C 0.137 177.361 177.300 -0.128 0.000 1.146 322 P CA 1.148 64.165 63.100 -0.137 0.000 0.808 322 P CB 0.488 32.152 31.700 -0.060 0.000 0.779 323 D N -1.008 119.295 120.400 -0.163 0.000 2.347 323 D HA 0.098 4.738 4.640 -0.000 0.000 0.213 323 D C 1.622 177.874 176.300 -0.079 0.000 0.985 323 D CA 1.064 55.022 54.000 -0.070 0.000 0.879 323 D CB -0.210 40.621 40.800 0.051 0.000 0.919 323 D HN 0.186 nan 8.370 nan 0.000 0.526 324 G N 1.655 110.361 108.800 -0.156 0.000 2.596 324 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.295 324 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.295 324 G C 1.003 175.872 174.900 -0.052 0.000 1.240 324 G CA 0.518 45.550 45.100 -0.114 0.000 0.985 324 G HN 0.263 nan 8.290 nan 0.000 0.555 325 M N 1.315 120.913 119.600 -0.005 0.000 2.557 325 M HA 0.181 4.661 4.480 -0.000 0.000 0.259 325 M C 2.634 178.964 176.300 0.050 0.000 1.086 325 M CA 1.410 56.736 55.300 0.043 0.000 1.096 325 M CB -0.044 32.582 32.600 0.044 0.000 1.424 325 M HN 0.687 nan 8.290 nan 0.000 0.488 326 A N -0.440 122.391 122.820 0.018 0.000 2.238 326 A HA -0.052 4.268 4.320 -0.000 0.000 0.208 326 A C 1.718 179.326 177.584 0.040 0.000 1.177 326 A CA 0.180 52.213 52.037 -0.006 0.000 0.804 326 A CB -0.813 18.168 19.000 -0.033 0.000 0.823 326 A HN 0.504 nan 8.150 nan 0.000 0.482 327 F N 0.904 120.787 119.950 -0.112 0.000 2.091 327 F HA -0.232 4.295 4.527 0.000 0.000 0.299 327 F C 1.794 177.523 175.800 -0.117 0.000 1.103 327 F CA 1.811 59.715 58.000 -0.160 0.000 1.228 327 F CB -0.285 38.579 39.000 -0.226 0.000 0.984 327 F HN 0.242 nan 8.300 nan 0.000 0.477 328 I N 0.905 121.417 120.570 -0.097 0.000 2.113 328 I HA -0.245 3.925 4.170 -0.000 0.000 0.238 328 I C -0.462 175.605 176.117 -0.084 0.000 1.070 328 I CA 1.638 62.841 61.300 -0.163 0.000 1.332 328 I CB -1.676 36.380 38.000 0.093 0.000 1.044 328 I HN 0.126 nan 8.210 nan 0.000 0.402 329 P HA -0.139 nan 4.420 nan 0.000 0.216 329 P C 1.963 179.245 177.300 -0.029 0.000 1.153 329 P CA 1.609 64.727 63.100 0.031 0.000 0.848 329 P CB -0.060 31.570 31.700 -0.118 0.000 0.787 330 L N -1.373 119.809 121.223 -0.068 0.000 2.109 330 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 330 L C 2.690 179.521 176.870 -0.066 0.000 1.086 330 L CA 1.464 56.275 54.840 -0.048 0.000 0.760 330 L CB -0.341 41.702 42.059 -0.026 0.000 0.910 330 L HN -0.076 nan 8.230 nan 0.000 0.437 331 R N -2.021 118.353 120.500 -0.210 0.000 2.350 331 R HA 0.092 4.432 4.340 -0.000 0.000 0.199 331 R C 2.034 178.187 176.300 -0.246 0.000 0.876 331 R CA 0.121 56.083 56.100 -0.231 0.000 1.062 331 R CB 0.332 30.397 30.300 -0.391 0.000 1.263 331 R HN 0.002 nan 8.270 nan 0.000 0.641 332 V N 1.481 121.101 119.914 -0.491 0.000 2.379 332 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 332 V C 2.176 178.328 176.094 0.098 0.000 1.044 332 V CA 1.556 63.714 62.300 -0.236 0.000 1.036 332 V CB -0.255 31.316 31.823 -0.420 0.000 0.664 332 V HN 0.221 nan 8.190 nan 0.000 0.453 333 I N 0.146 120.744 120.570 0.045 0.000 2.226 333 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 333 I C -0.188 176.000 176.117 0.119 0.000 1.100 333 I CA 1.513 62.873 61.300 0.100 0.000 1.374 333 I CB -1.271 36.789 38.000 0.101 0.000 1.057 333 I HN 0.360 nan 8.210 nan 0.000 0.413 334 P HA -0.219 nan 4.420 nan 0.000 0.215 334 P C 1.746 179.153 177.300 0.177 0.000 1.157 334 P CA 1.503 64.679 63.100 0.127 0.000 0.868 334 P CB -0.155 31.617 31.700 0.120 0.000 0.788 335 F N 0.359 120.389 119.950 0.134 0.000 2.095 335 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 335 F C 1.994 177.867 175.800 0.121 0.000 1.104 335 F CA 1.572 59.676 58.000 0.173 0.000 1.232 335 F CB -0.982 38.231 39.000 0.355 0.000 0.987 335 F HN -0.265 nan 8.300 nan 0.000 0.475 336 L N -0.137 121.170 121.223 0.140 0.000 2.083 336 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 336 L C 2.764 179.590 176.870 -0.074 0.000 1.083 336 L CA 1.096 55.930 54.840 -0.009 0.000 0.752 336 L CB -0.694 41.438 42.059 0.121 0.000 0.899 336 L HN 0.061 nan 8.230 nan 0.000 0.433 337 R N 0.218 120.709 120.500 -0.015 0.000 2.081 337 R HA -0.222 4.118 4.340 -0.000 0.000 0.235 337 R C 2.158 178.418 176.300 -0.067 0.000 1.131 337 R CA 1.733 57.820 56.100 -0.022 0.000 0.960 337 R CB -0.304 30.003 30.300 0.012 0.000 0.856 337 R HN 0.451 nan 8.270 nan 0.000 0.436 338 E N 0.545 120.687 120.200 -0.096 0.000 2.204 338 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 338 E C 1.057 177.543 176.600 -0.191 0.000 0.990 338 E CA 1.038 57.364 56.400 -0.123 0.000 0.821 338 E CB 0.252 29.883 29.700 -0.114 0.000 0.750 338 E HN -0.034 nan 8.360 nan 0.000 0.477 339 K N -0.711 119.517 120.400 -0.287 0.000 2.487 339 K HA 0.083 4.403 4.320 -0.000 0.000 0.192 339 K C 1.067 177.585 176.600 -0.136 0.000 1.027 339 K CA 0.788 56.918 56.287 -0.262 0.000 1.054 339 K CB 0.831 33.106 32.500 -0.374 0.000 0.824 339 K HN 0.337 nan 8.250 nan 0.000 0.510 340 G N 0.318 109.057 108.800 -0.101 0.000 2.184 340 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.206 340 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.206 340 G C 0.075 174.949 174.900 -0.043 0.000 0.995 340 G CA -0.032 45.031 45.100 -0.060 0.000 0.651 340 G HN 0.080 nan 8.290 nan 0.000 0.511 341 V N 3.282 123.171 119.914 -0.043 0.000 2.521 341 V HA 0.383 4.503 4.120 -0.000 0.000 0.286 341 V C -1.248 174.837 176.094 -0.014 0.000 1.034 341 V CA -1.088 61.199 62.300 -0.022 0.000 1.045 341 V CB 0.953 32.771 31.823 -0.008 0.000 0.974 341 V HN 0.221 nan 8.190 nan 0.000 0.480 342 P HA 0.072 nan 4.420 nan 0.000 0.268 342 P C 0.443 177.741 177.300 -0.003 0.000 1.205 342 P CA -0.131 62.964 63.100 -0.009 0.000 0.771 342 P CB 0.823 32.516 31.700 -0.012 0.000 0.858 343 Q N 2.883 122.684 119.800 0.002 0.000 2.062 343 Q HA -0.252 4.088 4.340 -0.000 0.000 0.209 343 Q C 1.688 177.689 176.000 0.003 0.000 0.996 343 Q CA 2.146 57.954 55.803 0.009 0.000 0.859 343 Q CB -0.716 28.029 28.738 0.012 0.000 0.920 343 Q HN 0.511 nan 8.270 nan 0.000 0.415 344 E N -1.405 118.794 120.200 -0.002 0.000 2.153 344 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 344 E C 1.791 178.382 176.600 -0.015 0.000 0.988 344 E CA 1.357 57.752 56.400 -0.008 0.000 0.811 344 E CB 0.050 29.744 29.700 -0.009 0.000 0.746 344 E HN 0.408 nan 8.360 nan 0.000 0.466 345 T N 1.131 115.676 114.554 -0.015 0.000 2.770 345 T HA -0.066 4.284 4.350 -0.000 0.000 0.263 345 T C 1.904 176.590 174.700 -0.024 0.000 1.039 345 T CA 0.609 62.697 62.100 -0.019 0.000 1.142 345 T CB -0.088 68.772 68.868 -0.015 0.000 0.868 345 T HN 0.098 nan 8.240 nan 0.000 0.435 346 L N 0.813 122.026 121.223 -0.016 0.000 2.083 346 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 346 L C 2.979 179.812 176.870 -0.063 0.000 1.083 346 L CA 1.188 56.015 54.840 -0.022 0.000 0.752 346 L CB -0.614 41.449 42.059 0.006 0.000 0.899 346 L HN 0.245 nan 8.230 nan 0.000 0.433 347 A N 0.191 122.981 122.820 -0.050 0.000 1.930 347 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 347 A C 2.405 179.935 177.584 -0.089 0.000 1.175 347 A CA 1.478 53.471 52.037 -0.074 0.000 0.627 347 A CB -1.078 17.905 19.000 -0.028 0.000 0.815 347 A HN 0.433 nan 8.150 nan 0.000 0.443 348 G N 0.143 108.907 108.800 -0.061 0.000 2.422 348 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 348 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 348 G C 1.479 176.336 174.900 -0.072 0.000 1.146 348 G CA 1.191 46.259 45.100 -0.054 0.000 0.769 348 G HN 0.495 nan 8.290 nan 0.000 0.547 349 I N 1.269 121.788 120.570 -0.084 0.000 2.353 349 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 349 I C 2.919 178.945 176.117 -0.151 0.000 1.119 349 I CA 1.638 62.882 61.300 -0.093 0.000 1.417 349 I CB -0.154 37.806 38.000 -0.068 0.000 1.078 349 I HN 0.289 nan 8.210 nan 0.000 0.421 350 T N -3.024 111.371 114.554 -0.265 0.000 3.065 350 T HA 0.171 4.521 4.350 -0.000 0.000 0.252 350 T C 1.347 175.770 174.700 -0.462 0.000 1.099 350 T CA 0.276 62.069 62.100 -0.511 0.000 1.063 350 T CB 0.214 68.444 68.868 -1.064 0.000 0.948 350 T HN 0.104 nan 8.240 nan 0.000 0.506 351 V N 0.627 120.388 119.914 -0.256 0.000 3.054 351 V HA 0.067 4.187 4.120 -0.000 0.000 0.227 351 V C 2.740 178.801 176.094 -0.056 0.000 1.252 351 V CA 0.985 63.209 62.300 -0.128 0.000 1.279 351 V CB -0.391 31.384 31.823 -0.080 0.000 1.118 351 V HN 0.338 nan 8.190 nan 0.000 0.504 352 T N 1.229 115.751 114.554 -0.052 0.000 2.701 352 T HA -0.145 4.205 4.350 -0.000 0.000 0.263 352 T C 1.814 176.509 174.700 -0.008 0.000 1.040 352 T CA 1.959 64.045 62.100 -0.024 0.000 1.147 352 T CB -0.362 68.492 68.868 -0.024 0.000 0.865 352 T HN 0.346 nan 8.240 nan 0.000 0.426 353 N N 1.608 120.295 118.700 -0.022 0.000 2.036 353 N HA -0.076 4.664 4.740 -0.000 0.000 0.195 353 N C -0.939 174.597 175.510 0.045 0.000 1.037 353 N CA 1.384 54.431 53.050 -0.006 0.000 0.855 353 N CB -1.625 36.837 38.487 -0.042 0.000 1.033 353 N HN 0.345 nan 8.380 nan 0.000 0.423 354 P HA -0.060 nan 4.420 nan 0.000 0.215 354 P C 1.110 178.482 177.300 0.119 0.000 1.153 354 P CA 1.721 64.885 63.100 0.107 0.000 0.853 354 P CB -0.131 31.604 31.700 0.059 0.000 0.788 355 A N 0.174 123.029 122.820 0.058 0.000 1.858 355 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 355 A C 2.502 180.107 177.584 0.034 0.000 1.190 355 A CA 1.867 53.923 52.037 0.032 0.000 0.617 355 A CB -1.372 17.636 19.000 0.014 0.000 0.827 355 A HN 0.015 nan 8.150 nan 0.000 0.443 356 R N -1.927 118.603 120.500 0.050 0.000 2.105 356 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 356 R C 1.958 178.306 176.300 0.080 0.000 1.135 356 R CA 1.776 57.905 56.100 0.047 0.000 0.967 356 R CB -0.401 29.928 30.300 0.047 0.000 0.861 356 R HN 0.537 nan 8.270 nan 0.000 0.442 357 F N 1.006 120.930 119.950 -0.042 0.000 2.113 357 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 357 F C 1.717 177.484 175.800 -0.054 0.000 1.103 357 F CA 1.417 59.388 58.000 -0.048 0.000 1.248 357 F CB -0.266 38.711 39.000 -0.038 0.000 0.999 357 F HN -0.043 nan 8.300 nan 0.000 0.475 358 L N -0.712 120.422 121.223 -0.149 0.000 2.109 358 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 358 L C 1.460 178.217 176.870 -0.189 0.000 1.086 358 L CA 0.648 55.348 54.840 -0.233 0.000 0.760 358 L CB -0.905 41.091 42.059 -0.104 0.000 0.910 358 L HN -0.044 nan 8.230 nan 0.000 0.437 359 S N 1.275 116.905 115.700 -0.116 0.000 2.555 359 S HA 0.063 4.533 4.470 -0.000 0.000 0.293 359 S C -2.155 172.375 174.600 -0.117 0.000 1.248 359 S CA -1.291 56.853 58.200 -0.094 0.000 1.096 359 S CB 0.185 63.351 63.200 -0.057 0.000 0.881 359 S HN -0.043 nan 8.310 nan 0.000 0.498 360 P HA 0.136 nan 4.420 nan 0.000 0.264 360 P C -0.899 176.351 177.300 -0.082 0.000 1.236 360 P CA 0.011 63.045 63.100 -0.109 0.000 0.811 360 P CB 0.216 31.860 31.700 -0.092 0.000 0.840 361 T N 4.954 119.456 114.554 -0.086 0.000 2.791 361 T HA 0.528 4.878 4.350 -0.000 0.000 0.288 361 T C 0.151 174.817 174.700 -0.056 0.000 0.999 361 T CA -0.245 61.817 62.100 -0.064 0.000 0.952 361 T CB 0.533 69.365 68.868 -0.060 0.000 0.938 361 T HN 0.080 nan 8.240 nan 0.000 0.444 362 L N 0.000 121.197 121.223 -0.043 0.000 2.949 362 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 362 L CA 0.000 54.819 54.840 -0.034 0.000 0.813 362 L CB 0.000 42.042 42.059 -0.029 0.000 0.961 362 L HN 0.000 nan 8.230 nan 0.000 0.502