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 1oyn_1_B DATA FIRST_RESID 86 DATA SEQUENCE TEQEDVLAKE LEDVNKWGLH VFRIAELSGN RPLTVIMHTI FQERDLLKTF DATA SEQUENCE KIPVDTLITY LMTLEDHYHA DVAYHNNIHA ADVVQSTHVL LSTPALEAVF DATA SEQUENCE TDLEILAAIF ASAIHDVDHP GVSNQFLINT NSELALMYND SSVLENHHLA DATA SEQUENCE VGFKLLQEEN CDIFQNLTKK QRQSLRKMVI DIVLATDMSK HMNLLADLKT DATA SEQUENCE MVETKKVTSS GVLLLDNYSD RIQVLQNMVH CADLSNPTKP LQLYRQWTDR DATA SEQUENCE IMEEFFRQGD RERERGMEIS PMCDKHNASV EKSQVGFIDY IVHPLWETWA DATA SEQUENCE DLVHPDAQDI LDTLEDNREW YQSTIPQ 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 86 T HA 0.000 nan 4.350 nan 0.000 0.228 86 T C 0.000 174.703 174.700 0.005 0.000 1.109 86 T CA 0.000 62.102 62.100 0.004 0.000 1.349 86 T CB 0.000 68.871 68.868 0.005 0.000 0.612 87 E N 1.993 122.195 120.200 0.003 0.000 2.147 87 E HA -0.281 4.135 4.350 0.110 0.000 0.199 87 E C 1.990 178.593 176.600 0.004 0.000 1.005 87 E CA 1.860 58.262 56.400 0.004 0.000 0.810 87 E CB -0.490 29.211 29.700 0.002 0.000 0.736 87 E HN 0.702 nan 8.360 nan 0.000 0.460 88 Q N 0.196 119.998 119.800 0.004 0.000 2.339 88 Q HA -0.013 4.393 4.340 0.110 0.000 0.205 88 Q C 2.024 178.028 176.000 0.007 0.000 0.925 88 Q CA 0.610 56.417 55.803 0.005 0.000 0.898 88 Q CB 0.138 28.878 28.738 0.004 0.000 1.013 88 Q HN 0.373 nan 8.270 nan 0.000 0.504 89 E N 1.324 121.528 120.200 0.006 0.000 2.171 89 E HA -0.261 4.155 4.350 0.110 0.000 0.197 89 E C 0.923 177.529 176.600 0.010 0.000 0.997 89 E CA 1.342 57.746 56.400 0.008 0.000 0.810 89 E CB 0.189 29.894 29.700 0.008 0.000 0.738 89 E HN 0.318 nan 8.360 nan 0.000 0.467 90 D N -0.148 120.258 120.400 0.009 0.000 2.084 90 D HA -0.132 4.574 4.640 0.110 0.000 0.196 90 D C 2.140 178.446 176.300 0.010 0.000 0.985 90 D CA 1.290 55.295 54.000 0.010 0.000 0.826 90 D CB -0.231 40.574 40.800 0.008 0.000 0.978 90 D HN 0.132 nan 8.370 nan 0.000 0.456 91 V N 1.903 121.823 119.914 0.010 0.000 2.380 91 V HA -0.231 3.955 4.120 0.110 0.000 0.251 91 V C 2.604 178.706 176.094 0.013 0.000 1.063 91 V CA 1.228 63.536 62.300 0.013 0.000 1.055 91 V CB -0.560 31.272 31.823 0.014 0.000 0.657 91 V HN 0.174 nan 8.190 nan 0.000 0.455 92 L N 0.038 121.268 121.223 0.012 0.000 2.027 92 L HA -0.088 4.318 4.340 0.110 0.000 0.206 92 L C 2.579 179.455 176.870 0.010 0.000 1.074 92 L CA 1.697 56.544 54.840 0.012 0.000 0.745 92 L CB -0.527 41.538 42.059 0.010 0.000 0.898 92 L HN 0.303 nan 8.230 nan 0.000 0.433 93 A N -0.009 122.818 122.820 0.012 0.000 1.940 93 A HA -0.249 4.137 4.320 0.110 0.000 0.219 93 A C 2.240 179.828 177.584 0.007 0.000 1.176 93 A CA 1.971 54.015 52.037 0.012 0.000 0.631 93 A CB -0.411 18.598 19.000 0.014 0.000 0.814 93 A HN 0.477 nan 8.150 nan 0.000 0.446 94 K N -0.492 119.912 120.400 0.006 0.000 2.025 94 K HA -0.104 4.283 4.320 0.110 0.000 0.207 94 K C 1.878 178.474 176.600 -0.006 0.000 1.049 94 K CA 1.256 57.544 56.287 0.002 0.000 0.933 94 K CB -0.172 32.331 32.500 0.005 0.000 0.714 94 K HN 0.354 nan 8.250 nan 0.000 0.438 95 E N 1.067 121.264 120.200 -0.004 0.000 2.209 95 E HA -0.167 4.249 4.350 0.110 0.000 0.196 95 E C 1.882 178.466 176.600 -0.026 0.000 0.993 95 E CA 0.945 57.334 56.400 -0.017 0.000 0.819 95 E CB -0.113 29.590 29.700 0.005 0.000 0.745 95 E HN 0.353 nan 8.360 nan 0.000 0.477 96 L N 0.632 121.848 121.223 -0.012 0.000 2.552 96 L HA -0.056 4.351 4.340 0.110 0.000 0.227 96 L C 1.830 178.697 176.870 -0.007 0.000 1.146 96 L CA 0.407 55.241 54.840 -0.011 0.000 0.858 96 L CB -0.217 41.841 42.059 -0.002 0.000 0.969 96 L HN 0.028 nan 8.230 nan 0.000 0.451 97 E N 0.101 120.296 120.200 -0.008 0.000 2.472 97 E HA -0.153 4.263 4.350 0.110 0.000 0.200 97 E C 0.491 177.091 176.600 -0.001 0.000 1.046 97 E CA 0.498 56.898 56.400 -0.001 0.000 0.871 97 E CB 0.102 29.799 29.700 -0.004 0.000 0.806 97 E HN 0.495 nan 8.360 nan 0.000 0.533 98 D N -0.248 120.143 120.400 -0.015 0.000 2.395 98 D HA 0.014 4.720 4.640 0.110 0.000 0.213 98 D C 1.546 177.856 176.300 0.016 0.000 1.110 98 D CA 0.069 54.060 54.000 -0.015 0.000 0.835 98 D CB 0.759 41.516 40.800 -0.073 0.000 0.965 98 D HN -0.016 nan 8.370 nan 0.000 0.505 99 V N 1.639 121.570 119.914 0.028 0.000 2.527 99 V HA -0.227 3.959 4.120 0.110 0.000 0.255 99 V C 1.575 177.780 176.094 0.184 0.000 1.081 99 V CA 1.397 63.731 62.300 0.058 0.000 1.092 99 V CB -0.327 31.503 31.823 0.012 0.000 0.673 99 V HN 0.275 nan 8.190 nan 0.000 0.470 100 N N -0.414 118.385 118.700 0.166 0.000 2.230 100 N HA 0.107 4.913 4.740 0.110 0.000 0.202 100 N C 0.310 175.892 175.510 0.121 0.000 1.119 100 N CA 0.164 53.319 53.050 0.174 0.000 0.851 100 N CB 0.455 39.024 38.487 0.137 0.000 0.990 100 N HN 0.527 nan 8.380 nan 0.000 0.497 101 K N 0.221 120.684 120.400 0.104 0.000 2.182 101 K HA 0.153 4.539 4.320 0.110 0.000 0.262 101 K C -0.564 176.119 176.600 0.139 0.000 0.957 101 K CA -0.668 55.685 56.287 0.109 0.000 0.842 101 K CB 1.872 34.403 32.500 0.053 0.000 1.099 101 K HN 0.083 nan 8.250 nan 0.000 0.438 102 W N 3.387 124.687 121.300 0.000 0.000 2.510 102 W HA 0.167 4.894 4.660 0.111 0.000 0.388 102 W C -0.123 176.389 176.519 -0.011 0.000 1.092 102 W CA 0.418 57.760 57.345 -0.006 0.000 1.562 102 W CB -0.015 29.435 29.460 -0.015 0.000 1.603 102 W HN 0.972 nan 8.180 nan 0.000 0.396 103 G N 4.524 113.232 108.800 -0.153 0.000 3.268 103 G HA2 -0.160 3.866 3.960 0.110 0.000 0.220 103 G HA3 -0.160 3.866 3.960 0.110 0.000 0.220 103 G C -0.694 174.180 174.900 -0.042 0.000 0.942 103 G CA -0.710 44.348 45.100 -0.069 0.000 0.918 103 G HN 0.381 nan 8.290 nan 0.000 0.658 104 L N 1.981 123.142 121.223 -0.103 0.000 2.543 104 L HA 0.267 4.673 4.340 0.110 0.000 0.285 104 L C 0.720 177.602 176.870 0.020 0.000 1.236 104 L CA 0.402 55.182 54.840 -0.099 0.000 0.871 104 L CB -0.170 41.834 42.059 -0.092 0.000 1.121 104 L HN 0.356 nan 8.230 nan 0.000 0.501 105 H N 4.610 123.664 119.070 -0.026 0.000 2.998 105 H HA 0.050 4.672 4.556 0.110 0.000 0.241 105 H C 1.248 176.551 175.328 -0.042 0.000 1.852 105 H CA -0.203 55.844 56.048 -0.002 0.000 1.419 105 H CB 0.508 30.283 29.762 0.022 0.000 1.793 105 H HN 0.678 nan 8.280 nan 0.000 0.553 106 V N 2.118 122.016 119.914 -0.027 0.000 2.380 106 V HA -0.325 3.861 4.120 0.110 0.000 0.251 106 V C 1.482 177.462 176.094 -0.191 0.000 1.063 106 V CA 1.852 64.053 62.300 -0.164 0.000 1.055 106 V CB -0.521 31.141 31.823 -0.269 0.000 0.657 106 V HN 0.540 nan 8.190 nan 0.000 0.455 107 F N 0.590 120.513 119.950 -0.046 0.000 2.134 107 F HA -0.056 4.536 4.527 0.108 0.000 0.299 107 F C 2.587 178.346 175.800 -0.068 0.000 1.097 107 F CA 1.842 59.774 58.000 -0.113 0.000 1.264 107 F CB -0.694 38.184 39.000 -0.204 0.000 1.001 107 F HN 0.087 nan 8.300 nan 0.000 0.479 108 R N 0.301 120.888 120.500 0.145 0.000 2.073 108 R HA -0.134 4.272 4.340 0.110 0.000 0.234 108 R C 2.245 178.576 176.300 0.051 0.000 1.134 108 R CA 1.671 57.824 56.100 0.088 0.000 0.952 108 R CB -0.737 29.633 30.300 0.116 0.000 0.850 108 R HN 0.306 nan 8.270 nan 0.000 0.433 109 I N 0.726 121.317 120.570 0.034 0.000 2.335 109 I HA -0.266 3.971 4.170 0.110 0.000 0.251 109 I C 2.606 178.721 176.117 -0.004 0.000 1.129 109 I CA 1.149 62.452 61.300 0.005 0.000 1.402 109 I CB -0.462 37.527 38.000 -0.019 0.000 1.069 109 I HN 0.201 nan 8.210 nan 0.000 0.424 110 A N 0.817 123.636 122.820 -0.002 0.000 1.902 110 A HA -0.208 4.178 4.320 0.110 0.000 0.217 110 A C 2.212 179.800 177.584 0.007 0.000 1.181 110 A CA 1.650 53.685 52.037 -0.003 0.000 0.623 110 A CB -0.485 18.523 19.000 0.014 0.000 0.818 110 A HN 0.466 nan 8.150 nan 0.000 0.443 111 E N 0.088 120.299 120.200 0.018 0.000 2.015 111 E HA -0.105 4.311 4.350 0.110 0.000 0.191 111 E C 1.862 178.464 176.600 0.004 0.000 0.991 111 E CA 1.197 57.602 56.400 0.009 0.000 0.802 111 E CB -0.393 29.312 29.700 0.008 0.000 0.759 111 E HN 0.589 nan 8.360 nan 0.000 0.447 112 L N 1.413 122.641 121.223 0.007 0.000 2.353 112 L HA -0.095 4.311 4.340 0.110 0.000 0.220 112 L C 2.270 179.141 176.870 0.001 0.000 1.133 112 L CA 0.947 55.791 54.840 0.005 0.000 0.798 112 L CB -0.424 41.641 42.059 0.010 0.000 0.922 112 L HN 0.160 nan 8.230 nan 0.000 0.445 113 S N -1.138 114.561 115.700 -0.002 0.000 2.557 113 S HA 0.261 4.797 4.470 0.110 0.000 0.223 113 S C 1.322 175.916 174.600 -0.010 0.000 0.969 113 S CA 0.192 58.388 58.200 -0.007 0.000 0.927 113 S CB 0.561 63.754 63.200 -0.011 0.000 0.806 113 S HN 0.465 nan 8.310 nan 0.000 0.489 114 G N 2.150 110.946 108.800 -0.007 0.000 2.225 114 G HA2 -0.335 3.691 3.960 0.110 0.000 0.264 114 G HA3 -0.335 3.691 3.960 0.110 0.000 0.264 114 G C 0.208 175.102 174.900 -0.009 0.000 1.060 114 G CA 0.106 45.201 45.100 -0.008 0.000 0.833 114 G HN 1.157 nan 8.290 nan 0.000 0.498 115 N N -1.491 117.204 118.700 -0.009 0.000 2.758 115 N HA -0.189 4.617 4.740 0.110 0.000 0.248 115 N C 0.724 176.222 175.510 -0.020 0.000 1.076 115 N CA 1.515 54.559 53.050 -0.011 0.000 0.696 115 N CB -0.391 38.094 38.487 -0.003 0.000 0.979 115 N HN 0.626 nan 8.380 nan 0.000 0.550 116 R N -0.258 120.226 120.500 -0.027 0.000 2.776 116 R HA 0.256 4.662 4.340 0.110 0.000 0.391 116 R C -1.772 174.500 176.300 -0.047 0.000 1.116 116 R CA -0.881 55.197 56.100 -0.036 0.000 1.056 116 R CB 0.618 30.899 30.300 -0.031 0.000 1.369 116 R HN 0.376 nan 8.270 nan 0.000 0.590 117 P HA -0.159 nan 4.420 nan 0.000 0.218 117 P C 1.330 178.575 177.300 -0.090 0.000 1.149 117 P CA 0.663 63.720 63.100 -0.073 0.000 0.817 117 P CB 0.446 32.092 31.700 -0.090 0.000 0.785 118 L N 0.138 121.292 121.223 -0.115 0.000 2.072 118 L HA -0.035 4.371 4.340 0.110 0.000 0.205 118 L C 2.278 179.099 176.870 -0.082 0.000 1.079 118 L CA 2.225 56.987 54.840 -0.129 0.000 0.752 118 L CB -1.647 40.301 42.059 -0.186 0.000 0.906 118 L HN -0.105 nan 8.230 nan 0.000 0.436 119 T N -1.224 113.289 114.554 -0.068 0.000 2.777 119 T HA -0.121 4.295 4.350 0.110 0.000 0.266 119 T C 1.967 176.657 174.700 -0.016 0.000 1.040 119 T CA 1.512 63.581 62.100 -0.052 0.000 1.141 119 T CB -0.310 68.523 68.868 -0.057 0.000 0.868 119 T HN 0.166 nan 8.240 nan 0.000 0.444 120 V N 1.524 121.430 119.914 -0.013 0.000 2.270 120 V HA -0.116 4.070 4.120 0.110 0.000 0.245 120 V C 2.421 178.533 176.094 0.031 0.000 1.043 120 V CA 1.502 63.816 62.300 0.022 0.000 1.014 120 V CB -0.572 31.252 31.823 0.002 0.000 0.645 120 V HN 0.468 nan 8.190 nan 0.000 0.447 121 I N -0.842 119.720 120.570 -0.014 0.000 2.226 121 I HA -0.271 3.965 4.170 0.110 0.000 0.245 121 I C 2.582 178.691 176.117 -0.014 0.000 1.100 121 I CA 1.379 62.660 61.300 -0.032 0.000 1.374 121 I CB -0.383 37.581 38.000 -0.061 0.000 1.057 121 I HN 0.274 nan 8.210 nan 0.000 0.413 122 M N -0.202 119.396 119.600 -0.003 0.000 2.159 122 M HA -0.239 4.307 4.480 0.110 0.000 0.263 122 M C 2.434 178.759 176.300 0.041 0.000 1.063 122 M CA 1.887 57.194 55.300 0.013 0.000 1.110 122 M CB -1.400 31.152 32.600 -0.080 0.000 1.374 122 M HN 0.315 nan 8.290 nan 0.000 0.411 123 H N 0.155 119.193 119.070 -0.054 0.000 2.326 123 H HA -0.056 4.566 4.556 0.110 0.000 0.301 123 H C 1.769 177.132 175.328 0.059 0.000 1.081 123 H CA 2.428 58.468 56.048 -0.014 0.000 1.334 123 H CB -0.167 29.579 29.762 -0.028 0.000 1.385 123 H HN 0.233 nan 8.280 nan 0.000 0.504 124 T N 0.936 115.436 114.554 -0.090 0.000 2.684 124 T HA -0.132 4.284 4.350 0.110 0.000 0.267 124 T C 2.225 176.857 174.700 -0.114 0.000 1.036 124 T CA 1.782 63.797 62.100 -0.142 0.000 1.148 124 T CB -0.302 68.530 68.868 -0.060 0.000 0.863 124 T HN 0.299 nan 8.240 nan 0.000 0.436 125 I N -0.103 120.418 120.570 -0.081 0.000 2.226 125 I HA -0.117 4.119 4.170 0.110 0.000 0.245 125 I C 2.050 178.193 176.117 0.044 0.000 1.100 125 I CA 1.242 62.465 61.300 -0.129 0.000 1.374 125 I CB -0.381 37.485 38.000 -0.222 0.000 1.057 125 I HN 0.134 nan 8.210 nan 0.000 0.413 126 F N 1.228 121.130 119.950 -0.080 0.000 2.216 126 F HA -0.204 4.389 4.527 0.111 0.000 0.300 126 F C 2.681 178.463 175.800 -0.030 0.000 1.085 126 F CA 1.412 59.408 58.000 -0.007 0.000 1.326 126 F CB -0.440 38.584 39.000 0.040 0.000 1.027 126 F HN 0.126 nan 8.300 nan 0.000 0.497 127 Q N -0.651 119.172 119.800 0.038 0.000 2.123 127 Q HA -0.180 4.226 4.340 0.110 0.000 0.196 127 Q C 2.081 178.072 176.000 -0.015 0.000 0.958 127 Q CA 1.175 56.960 55.803 -0.029 0.000 0.841 127 Q CB -0.354 28.289 28.738 -0.159 0.000 0.915 127 Q HN 0.297 nan 8.270 nan 0.000 0.455 128 E N 1.615 121.800 120.200 -0.025 0.000 2.114 128 E HA -0.202 4.214 4.350 0.110 0.000 0.199 128 E C 1.187 177.805 176.600 0.031 0.000 1.008 128 E CA 1.494 57.897 56.400 0.004 0.000 0.810 128 E CB 0.069 29.767 29.700 -0.004 0.000 0.739 128 E HN 0.158 nan 8.360 nan 0.000 0.456 129 R N -0.447 120.065 120.500 0.020 0.000 2.393 129 R HA 0.130 4.536 4.340 0.110 0.000 0.244 129 R C 0.002 176.302 176.300 -0.001 0.000 0.920 129 R CA 0.593 56.705 56.100 0.019 0.000 1.076 129 R CB 0.243 30.549 30.300 0.010 0.000 1.119 129 R HN 0.116 nan 8.270 nan 0.000 0.524 130 D N 0.113 120.517 120.400 0.007 0.000 2.911 130 D HA -0.193 4.513 4.640 0.110 0.000 0.227 130 D C 0.592 176.904 176.300 0.020 0.000 1.164 130 D CA 0.438 54.446 54.000 0.013 0.000 0.782 130 D CB -0.806 39.992 40.800 -0.002 0.000 1.094 130 D HN 0.252 nan 8.370 nan 0.000 0.425 131 L N -0.740 120.492 121.223 0.015 0.000 2.127 131 L HA -0.188 4.218 4.340 0.110 0.000 0.211 131 L C 2.144 179.145 176.870 0.219 0.000 1.089 131 L CA 0.732 55.608 54.840 0.060 0.000 0.757 131 L CB -0.312 41.558 42.059 -0.314 0.000 0.899 131 L HN 0.243 nan 8.230 nan 0.000 0.434 132 L N -0.204 121.152 121.223 0.220 0.000 1.961 132 L HA -0.227 4.179 4.340 0.110 0.000 0.210 132 L C 2.507 179.469 176.870 0.153 0.000 1.072 132 L CA 1.849 56.829 54.840 0.233 0.000 0.749 132 L CB -0.868 41.309 42.059 0.197 0.000 0.889 132 L HN 0.083 nan 8.230 nan 0.000 0.432 133 K N -0.852 119.600 120.400 0.087 0.000 2.032 133 K HA -0.153 4.234 4.320 0.110 0.000 0.209 133 K C 2.068 178.661 176.600 -0.012 0.000 1.048 133 K CA 1.912 58.222 56.287 0.038 0.000 0.927 133 K CB -0.667 31.843 32.500 0.016 0.000 0.712 133 K HN 0.332 nan 8.250 nan 0.000 0.441 134 T N 1.002 115.513 114.554 -0.071 0.000 2.624 134 T HA -0.168 4.248 4.350 0.110 0.000 0.268 134 T C 1.324 175.787 174.700 -0.395 0.000 1.041 134 T CA 1.614 63.548 62.100 -0.276 0.000 1.159 134 T CB -0.264 68.358 68.868 -0.410 0.000 0.863 134 T HN 0.117 nan 8.240 nan 0.000 0.434 135 F N 0.953 120.928 119.950 0.042 0.000 2.641 135 F HA 0.379 4.974 4.527 0.113 0.000 0.302 135 F C 0.797 176.638 175.800 0.068 0.000 1.098 135 F CA -0.495 57.540 58.000 0.059 0.000 1.318 135 F CB -0.337 38.718 39.000 0.091 0.000 1.035 135 F HN -0.034 nan 8.300 nan 0.000 0.551 136 K N 1.126 121.621 120.400 0.159 0.000 3.257 136 K HA -0.205 4.181 4.320 0.110 0.000 0.270 136 K C -0.513 176.175 176.600 0.147 0.000 0.984 136 K CA 0.301 56.661 56.287 0.122 0.000 0.739 136 K CB -1.873 30.681 32.500 0.090 0.000 1.351 136 K HN 0.331 nan 8.250 nan 0.000 0.463 137 I N 2.497 123.175 120.570 0.180 0.000 2.297 137 I HA 0.163 4.399 4.170 0.110 0.000 0.291 137 I C -1.469 174.718 176.117 0.117 0.000 1.033 137 I CA -2.277 59.117 61.300 0.156 0.000 1.253 137 I CB 0.598 38.730 38.000 0.219 0.000 1.396 137 I HN -0.030 nan 8.210 nan 0.000 0.476 138 P HA -0.003 nan 4.420 nan 0.000 0.264 138 P C 1.103 178.440 177.300 0.061 0.000 1.193 138 P CA -0.042 63.095 63.100 0.061 0.000 0.763 138 P CB 1.314 33.039 31.700 0.041 0.000 0.810 139 V N 3.054 123.009 119.914 0.068 0.000 2.282 139 V HA -0.308 3.878 4.120 0.110 0.000 0.249 139 V C 1.794 177.899 176.094 0.018 0.000 1.057 139 V CA 2.523 64.862 62.300 0.066 0.000 1.032 139 V CB -1.354 30.509 31.823 0.067 0.000 0.645 139 V HN 0.479 nan 8.190 nan 0.000 0.447 140 D N 0.284 120.690 120.400 0.011 0.000 2.103 140 D HA -0.181 4.525 4.640 0.110 0.000 0.190 140 D C 2.250 178.549 176.300 -0.000 0.000 0.997 140 D CA 2.093 56.092 54.000 -0.003 0.000 0.833 140 D CB -0.729 40.074 40.800 0.004 0.000 0.961 140 D HN 0.386 nan 8.370 nan 0.000 0.447 141 T N 0.522 115.080 114.554 0.007 0.000 2.778 141 T HA -0.159 4.257 4.350 0.110 0.000 0.269 141 T C 1.787 176.489 174.700 0.003 0.000 1.050 141 T CA 0.648 62.751 62.100 0.004 0.000 1.137 141 T CB -0.301 68.562 68.868 -0.008 0.000 0.860 141 T HN 0.025 nan 8.240 nan 0.000 0.468 142 L N 0.632 121.851 121.223 -0.006 0.000 2.044 142 L HA 0.170 4.576 4.340 0.110 0.000 0.205 142 L C 2.126 178.981 176.870 -0.024 0.000 1.075 142 L CA 1.447 56.267 54.840 -0.032 0.000 0.747 142 L CB -0.434 41.611 42.059 -0.024 0.000 0.903 142 L HN 0.243 nan 8.230 nan 0.000 0.435 143 I N -1.168 119.378 120.570 -0.040 0.000 2.315 143 I HA -0.248 3.988 4.170 0.110 0.000 0.248 143 I C 2.139 178.232 176.117 -0.041 0.000 1.117 143 I CA 1.432 62.690 61.300 -0.070 0.000 1.404 143 I CB -0.643 37.289 38.000 -0.114 0.000 1.071 143 I HN 0.249 nan 8.210 nan 0.000 0.419 144 T N 0.009 114.554 114.554 -0.015 0.000 2.746 144 T HA -0.251 4.165 4.350 0.110 0.000 0.267 144 T C 1.779 176.477 174.700 -0.004 0.000 1.039 144 T CA 1.541 63.636 62.100 -0.007 0.000 1.142 144 T CB -0.406 68.468 68.868 0.010 0.000 0.866 144 T HN 0.380 nan 8.240 nan 0.000 0.444 145 Y N 1.416 121.673 120.300 -0.073 0.000 2.263 145 Y HA 0.063 4.680 4.550 0.112 0.000 0.292 145 Y C 1.960 177.822 175.900 -0.064 0.000 1.130 145 Y CA 0.849 58.904 58.100 -0.074 0.000 1.179 145 Y CB -0.404 37.993 38.460 -0.105 0.000 0.998 145 Y HN 0.104 nan 8.280 nan 0.000 0.532 146 L N -0.500 120.682 121.223 -0.068 0.000 2.017 146 L HA -0.282 4.124 4.340 0.110 0.000 0.208 146 L C 2.465 179.239 176.870 -0.159 0.000 1.073 146 L CA 1.821 56.588 54.840 -0.121 0.000 0.745 146 L CB -0.502 41.518 42.059 -0.066 0.000 0.894 146 L HN 0.339 nan 8.230 nan 0.000 0.432 147 M N -1.214 118.316 119.600 -0.115 0.000 2.132 147 M HA -0.161 4.385 4.480 0.110 0.000 0.263 147 M C 2.247 178.498 176.300 -0.081 0.000 1.065 147 M CA 1.780 57.034 55.300 -0.077 0.000 1.122 147 M CB -0.617 31.952 32.600 -0.051 0.000 1.365 147 M HN 0.189 nan 8.290 nan 0.000 0.411 148 T N 1.235 115.700 114.554 -0.149 0.000 2.788 148 T HA -0.121 4.295 4.350 0.110 0.000 0.268 148 T C 1.687 176.247 174.700 -0.234 0.000 1.044 148 T CA 1.138 63.144 62.100 -0.156 0.000 1.139 148 T CB -0.229 68.507 68.868 -0.220 0.000 0.867 148 T HN 0.245 nan 8.240 nan 0.000 0.454 149 L N 1.253 122.221 121.223 -0.425 0.000 2.044 149 L HA 0.111 4.517 4.340 0.110 0.000 0.205 149 L C 2.422 179.306 176.870 0.023 0.000 1.075 149 L CA 1.867 56.494 54.840 -0.356 0.000 0.747 149 L CB -0.605 41.141 42.059 -0.522 0.000 0.903 149 L HN 0.200 nan 8.230 nan 0.000 0.435 150 E N -0.808 119.418 120.200 0.042 0.000 2.153 150 E HA -0.253 4.163 4.350 0.110 0.000 0.194 150 E C 1.485 178.216 176.600 0.217 0.000 0.988 150 E CA 1.362 57.858 56.400 0.161 0.000 0.811 150 E CB -0.039 29.667 29.700 0.010 0.000 0.746 150 E HN 0.530 nan 8.360 nan 0.000 0.466 151 D N -0.473 120.021 120.400 0.158 0.000 2.264 151 D HA -0.108 4.598 4.640 0.110 0.000 0.208 151 D C 0.759 177.164 176.300 0.175 0.000 0.966 151 D CA 0.855 54.949 54.000 0.157 0.000 0.864 151 D CB -0.081 40.799 40.800 0.134 0.000 0.933 151 D HN 0.329 nan 8.370 nan 0.000 0.499 152 H N -1.523 117.574 119.070 0.044 0.000 2.524 152 H HA 0.160 4.776 4.556 0.099 0.000 0.280 152 H C -0.548 174.784 175.328 0.007 0.000 1.018 152 H CA -0.077 55.983 56.048 0.020 0.000 1.165 152 H CB -0.411 29.309 29.762 -0.069 0.000 1.411 152 H HN 0.102 nan 8.280 nan 0.000 0.569 153 Y N 0.437 120.841 120.300 0.173 0.000 2.342 153 Y HA 0.187 4.820 4.550 0.138 0.000 0.334 153 Y C 0.449 176.498 175.900 0.248 0.000 1.067 153 Y CA -0.675 57.508 58.100 0.138 0.000 1.128 153 Y CB 0.668 39.158 38.460 0.051 0.000 1.200 153 Y HN 0.255 nan 8.280 nan 0.000 0.464 154 H N 2.491 121.674 119.070 0.189 0.000 2.878 154 H HA 0.222 4.798 4.556 0.034 0.000 0.290 154 H C 0.436 175.839 175.328 0.125 0.000 1.065 154 H CA -0.089 56.036 56.048 0.127 0.000 1.477 154 H CB 1.258 31.090 29.762 0.118 0.000 1.484 154 H HN 0.951 nan 8.280 nan 0.000 0.504 155 A N 3.475 126.410 122.820 0.191 0.000 2.119 155 A HA -0.156 4.230 4.320 0.110 0.000 0.217 155 A C 1.805 179.451 177.584 0.103 0.000 1.153 155 A CA 1.143 53.252 52.037 0.120 0.000 0.692 155 A CB -0.074 18.968 19.000 0.070 0.000 0.799 155 A HN 0.859 nan 8.150 nan 0.000 0.458 156 D N -0.452 120.018 120.400 0.117 0.000 2.347 156 D HA 0.021 4.727 4.640 0.110 0.000 0.213 156 D C 0.235 176.608 176.300 0.121 0.000 0.985 156 D CA 0.238 54.295 54.000 0.095 0.000 0.879 156 D CB -0.305 40.538 40.800 0.071 0.000 0.919 156 D HN 0.167 nan 8.370 nan 0.000 0.526 157 V N 1.635 121.651 119.914 0.170 0.000 2.461 157 V HA 0.302 4.488 4.120 0.110 0.000 0.275 157 V C 1.579 177.756 176.094 0.138 0.000 1.047 157 V CA -0.091 62.312 62.300 0.173 0.000 0.955 157 V CB 1.065 33.019 31.823 0.219 0.000 0.988 157 V HN 0.190 nan 8.190 nan 0.000 0.471 158 A N 4.114 127.009 122.820 0.125 0.000 1.930 158 A HA -0.151 4.235 4.320 0.110 0.000 0.217 158 A C 1.792 179.453 177.584 0.129 0.000 1.175 158 A CA 1.774 53.873 52.037 0.103 0.000 0.627 158 A CB -0.337 18.714 19.000 0.086 0.000 0.815 158 A HN 0.915 nan 8.150 nan 0.000 0.443 159 Y N -0.824 119.484 120.300 0.014 0.000 2.331 159 Y HA 0.190 4.803 4.550 0.105 0.000 0.282 159 Y C 0.854 176.663 175.900 -0.151 0.000 1.140 159 Y CA 0.643 58.705 58.100 -0.063 0.000 1.198 159 Y CB -0.002 38.304 38.460 -0.257 0.000 1.159 159 Y HN 0.356 nan 8.280 nan 0.000 0.512 160 H N 2.121 121.202 119.070 0.019 0.000 3.680 160 H HA 0.146 4.771 4.556 0.116 0.000 0.204 160 H C -0.754 174.601 175.328 0.045 0.000 1.738 160 H CA 0.139 56.108 56.048 -0.131 0.000 1.409 160 H CB -1.189 28.268 29.762 -0.509 0.000 1.730 160 H HN 0.399 nan 8.280 nan 0.000 0.684 161 N N -0.911 117.860 118.700 0.118 0.000 3.002 161 N HA 0.049 4.855 4.740 0.110 0.000 0.331 161 N C 1.082 176.520 175.510 -0.121 0.000 1.384 161 N CA -0.922 52.228 53.050 0.167 0.000 0.780 161 N CB 0.367 38.922 38.487 0.114 0.000 1.492 161 N HN 0.112 nan 8.380 nan 0.000 0.608 162 N N 0.264 118.826 118.700 -0.231 0.000 2.205 162 N HA -0.168 4.638 4.740 0.110 0.000 0.186 162 N C 1.198 176.503 175.510 -0.342 0.000 1.015 162 N CA 1.343 54.073 53.050 -0.534 0.000 0.862 162 N CB -0.534 37.811 38.487 -0.237 0.000 0.986 162 N HN 0.665 nan 8.380 nan 0.000 0.429 163 I N 0.493 120.974 120.570 -0.148 0.000 2.252 163 I HA -0.240 3.997 4.170 0.110 0.000 0.245 163 I C 2.651 178.756 176.117 -0.020 0.000 1.102 163 I CA 1.464 62.719 61.300 -0.074 0.000 1.385 163 I CB -0.506 37.490 38.000 -0.007 0.000 1.064 163 I HN 0.210 nan 8.210 nan 0.000 0.414 164 H N 1.467 120.457 119.070 -0.134 0.000 2.353 164 H HA -0.092 4.528 4.556 0.107 0.000 0.300 164 H C 2.125 177.286 175.328 -0.278 0.000 1.090 164 H CA 1.679 57.525 56.048 -0.337 0.000 1.327 164 H CB -0.028 29.416 29.762 -0.530 0.000 1.383 164 H HN 0.261 nan 8.280 nan 0.000 0.508 165 A N 1.015 123.577 122.820 -0.431 0.000 1.902 165 A HA -0.055 4.331 4.320 0.110 0.000 0.217 165 A C 2.658 180.038 177.584 -0.340 0.000 1.181 165 A CA 1.822 53.595 52.037 -0.439 0.000 0.623 165 A CB -1.407 17.125 19.000 -0.781 0.000 0.818 165 A HN 0.640 nan 8.150 nan 0.000 0.443 166 A N -0.085 122.549 122.820 -0.309 0.000 1.877 166 A HA -0.211 4.175 4.320 0.110 0.000 0.216 166 A C 1.849 179.299 177.584 -0.223 0.000 1.186 166 A CA 2.200 54.105 52.037 -0.220 0.000 0.620 166 A CB -0.801 18.089 19.000 -0.182 0.000 0.822 166 A HN 0.542 nan 8.150 nan 0.000 0.443 167 D N -0.604 119.636 120.400 -0.267 0.000 2.149 167 D HA -0.125 4.581 4.640 0.110 0.000 0.198 167 D C 1.710 177.797 176.300 -0.355 0.000 0.990 167 D CA 1.577 55.392 54.000 -0.308 0.000 0.839 167 D CB -0.033 40.542 40.800 -0.375 0.000 0.948 167 D HN 0.168 nan 8.370 nan 0.000 0.460 168 V N -0.419 119.244 119.914 -0.417 0.000 2.548 168 V HA -0.138 4.049 4.120 0.110 0.000 0.249 168 V C 2.466 178.417 176.094 -0.238 0.000 1.055 168 V CA 0.874 62.942 62.300 -0.387 0.000 1.065 168 V CB -0.088 31.401 31.823 -0.555 0.000 0.681 168 V HN 0.142 nan 8.190 nan 0.000 0.462 169 V N -0.325 119.482 119.914 -0.179 0.000 2.270 169 V HA -0.260 3.926 4.120 0.110 0.000 0.245 169 V C 2.535 178.619 176.094 -0.017 0.000 1.043 169 V CA 2.119 64.375 62.300 -0.072 0.000 1.014 169 V CB -0.655 31.140 31.823 -0.047 0.000 0.645 169 V HN 0.498 nan 8.190 nan 0.000 0.447 170 Q N 0.110 119.876 119.800 -0.056 0.000 2.096 170 Q HA -0.204 4.202 4.340 0.110 0.000 0.204 170 Q C 2.414 178.434 176.000 0.033 0.000 0.982 170 Q CA 2.388 58.190 55.803 -0.002 0.000 0.850 170 Q CB -0.250 28.441 28.738 -0.078 0.000 0.901 170 Q HN 0.648 nan 8.270 nan 0.000 0.422 171 S N -0.132 115.504 115.700 -0.108 0.000 2.345 171 S HA -0.105 4.431 4.470 0.110 0.000 0.220 171 S C 1.986 176.666 174.600 0.133 0.000 1.031 171 S CA 1.663 59.797 58.200 -0.110 0.000 0.996 171 S CB -0.459 62.557 63.200 -0.307 0.000 0.882 171 S HN 0.478 nan 8.310 nan 0.000 0.445 172 T N 0.753 115.332 114.554 0.042 0.000 2.803 172 T HA -0.177 4.240 4.350 0.110 0.000 0.269 172 T C 1.684 176.452 174.700 0.113 0.000 1.052 172 T CA 1.829 63.953 62.100 0.040 0.000 1.136 172 T CB -0.462 68.389 68.868 -0.029 0.000 0.864 172 T HN 0.576 nan 8.240 nan 0.000 0.467 173 H N 1.008 120.110 119.070 0.054 0.000 2.319 173 H HA -0.032 4.590 4.556 0.110 0.000 0.299 173 H C 2.036 177.438 175.328 0.123 0.000 1.092 173 H CA 1.600 57.693 56.048 0.075 0.000 1.302 173 H CB -0.677 29.119 29.762 0.056 0.000 1.373 173 H HN 0.140 nan 8.280 nan 0.000 0.497 174 V N 0.864 120.778 119.914 0.000 0.000 2.261 174 V HA -0.260 3.926 4.120 0.110 0.000 0.246 174 V C 2.819 178.976 176.094 0.106 0.000 1.047 174 V CA 1.929 64.252 62.300 0.038 0.000 1.015 174 V CB -0.735 31.300 31.823 0.353 0.000 0.642 174 V HN 0.418 nan 8.190 nan 0.000 0.446 175 L N -0.727 120.627 121.223 0.218 0.000 2.042 175 L HA -0.227 4.179 4.340 0.110 0.000 0.210 175 L C 2.440 179.441 176.870 0.219 0.000 1.076 175 L CA 1.538 56.517 54.840 0.231 0.000 0.749 175 L CB -0.643 41.511 42.059 0.160 0.000 0.893 175 L HN 0.315 nan 8.230 nan 0.000 0.432 176 L N -0.783 120.525 121.223 0.143 0.000 2.187 176 L HA -0.193 4.213 4.340 0.110 0.000 0.213 176 L C 2.204 179.146 176.870 0.121 0.000 1.100 176 L CA 0.913 55.851 54.840 0.164 0.000 0.765 176 L CB -0.319 41.809 42.059 0.114 0.000 0.904 176 L HN 0.179 nan 8.230 nan 0.000 0.437 177 S N -1.558 114.160 115.700 0.030 0.000 2.631 177 S HA -0.030 4.506 4.470 0.110 0.000 0.217 177 S C 0.889 175.509 174.600 0.033 0.000 0.958 177 S CA 0.033 58.236 58.200 0.004 0.000 0.920 177 S CB -0.274 62.878 63.200 -0.080 0.000 0.776 177 S HN 0.353 nan 8.310 nan 0.000 0.517 178 T N 3.381 117.980 114.554 0.075 0.000 2.829 178 T HA 0.106 4.522 4.350 0.110 0.000 0.293 178 T C -1.685 173.022 174.700 0.011 0.000 0.970 178 T CA -1.560 60.572 62.100 0.055 0.000 1.168 178 T CB 0.613 69.538 68.868 0.094 0.000 0.911 178 T HN 0.008 nan 8.240 nan 0.000 0.535 179 P HA -0.179 nan 4.420 nan 0.000 0.220 179 P C 1.038 178.310 177.300 -0.046 0.000 1.155 179 P CA 1.479 64.566 63.100 -0.023 0.000 0.880 179 P CB -0.012 31.675 31.700 -0.022 0.000 0.790 180 A N -1.951 120.829 122.820 -0.066 0.000 2.264 180 A HA -0.022 4.364 4.320 0.110 0.000 0.207 180 A C 1.566 179.076 177.584 -0.124 0.000 1.196 180 A CA 0.985 52.961 52.037 -0.102 0.000 0.778 180 A CB -1.234 17.683 19.000 -0.138 0.000 0.779 180 A HN 0.221 nan 8.150 nan 0.000 0.483 181 L N -1.476 119.694 121.223 -0.088 0.000 3.360 181 L HA 0.169 4.575 4.340 0.110 0.000 0.303 181 L C -0.102 176.716 176.870 -0.087 0.000 1.218 181 L CA -0.283 54.490 54.840 -0.111 0.000 1.059 181 L CB 0.347 42.402 42.059 -0.007 0.000 1.468 181 L HN 0.265 nan 8.230 nan 0.000 0.614 182 E N 1.289 121.456 120.200 -0.056 0.000 2.558 182 E HA 0.095 4.511 4.350 0.110 0.000 0.255 182 E C 1.175 177.741 176.600 -0.057 0.000 0.968 182 E CA 0.763 57.141 56.400 -0.036 0.000 0.939 182 E CB 0.491 30.173 29.700 -0.029 0.000 0.921 182 E HN 0.329 nan 8.360 nan 0.000 0.477 183 A N 2.277 125.076 122.820 -0.036 0.000 3.153 183 A HA -0.255 4.131 4.320 0.110 0.000 0.265 183 A C 1.325 178.857 177.584 -0.087 0.000 1.212 183 A CA 1.148 53.160 52.037 -0.042 0.000 1.018 183 A CB -2.052 16.923 19.000 -0.041 0.000 1.130 183 A HN 0.442 nan 8.150 nan 0.000 0.873 184 V N -1.604 118.208 119.914 -0.170 0.000 2.302 184 V HA 0.072 4.258 4.120 0.110 0.000 0.243 184 V C 1.267 177.151 176.094 -0.350 0.000 1.036 184 V CA 1.898 63.985 62.300 -0.354 0.000 1.020 184 V CB -0.464 30.965 31.823 -0.656 0.000 0.657 184 V HN 0.524 nan 8.190 nan 0.000 0.453 185 F N 1.090 121.052 119.950 0.019 0.000 2.399 185 F HA 0.461 5.055 4.527 0.113 0.000 0.334 185 F C 1.037 176.859 175.800 0.037 0.000 1.097 185 F CA -1.109 56.910 58.000 0.031 0.000 1.076 185 F CB 0.613 39.637 39.000 0.041 0.000 1.162 185 F HN 0.025 nan 8.300 nan 0.000 0.495 186 T N -1.896 112.812 114.554 0.256 0.000 2.766 186 T HA 0.070 4.486 4.350 0.110 0.000 0.295 186 T C 0.893 175.699 174.700 0.178 0.000 1.024 186 T CA -0.678 61.521 62.100 0.165 0.000 1.018 186 T CB 0.720 69.674 68.868 0.143 0.000 1.002 186 T HN 0.550 nan 8.240 nan 0.000 0.532 187 D N -0.185 120.309 120.400 0.157 0.000 2.218 187 D HA -0.067 4.639 4.640 0.110 0.000 0.204 187 D C 1.806 178.342 176.300 0.393 0.000 0.976 187 D CA 0.661 54.793 54.000 0.220 0.000 0.853 187 D CB -0.021 40.834 40.800 0.091 0.000 0.939 187 D HN 0.376 nan 8.370 nan 0.000 0.481 188 L N 1.278 122.726 121.223 0.374 0.000 2.179 188 L HA -0.059 4.347 4.340 0.110 0.000 0.208 188 L C 1.866 178.763 176.870 0.046 0.000 1.096 188 L CA 1.504 56.471 54.840 0.211 0.000 0.779 188 L CB -0.211 41.953 42.059 0.173 0.000 0.922 188 L HN -0.101 nan 8.230 nan 0.000 0.443 189 E N -0.633 119.620 120.200 0.089 0.000 2.152 189 E HA -0.135 4.281 4.350 0.110 0.000 0.192 189 E C 2.238 178.810 176.600 -0.046 0.000 0.983 189 E CA 1.181 57.592 56.400 0.018 0.000 0.818 189 E CB -0.050 29.697 29.700 0.078 0.000 0.758 189 E HN 0.523 nan 8.360 nan 0.000 0.467 190 I N 0.748 121.336 120.570 0.030 0.000 2.353 190 I HA -0.199 4.037 4.170 0.110 0.000 0.248 190 I C 2.354 178.472 176.117 0.001 0.000 1.119 190 I CA 0.418 61.730 61.300 0.020 0.000 1.417 190 I CB -0.034 38.017 38.000 0.085 0.000 1.078 190 I HN 0.139 nan 8.210 nan 0.000 0.421 191 L N 1.303 122.515 121.223 -0.019 0.000 2.093 191 L HA -0.064 4.342 4.340 0.110 0.000 0.208 191 L C 2.536 179.424 176.870 0.030 0.000 1.085 191 L CA 1.945 56.741 54.840 -0.074 0.000 0.755 191 L CB -0.726 41.157 42.059 -0.293 0.000 0.904 191 L HN 0.150 nan 8.230 nan 0.000 0.435 192 A N -0.416 122.391 122.820 -0.023 0.000 1.902 192 A HA -0.076 4.310 4.320 0.110 0.000 0.217 192 A C 2.420 180.063 177.584 0.098 0.000 1.181 192 A CA 1.742 53.801 52.037 0.038 0.000 0.623 192 A CB -1.089 17.902 19.000 -0.015 0.000 0.818 192 A HN 0.554 nan 8.150 nan 0.000 0.443 193 A N -0.491 122.338 122.820 0.015 0.000 1.968 193 A HA 0.082 4.468 4.320 0.110 0.000 0.217 193 A C 2.060 179.671 177.584 0.044 0.000 1.169 193 A CA 1.268 53.297 52.037 -0.014 0.000 0.638 193 A CB -0.450 18.483 19.000 -0.110 0.000 0.812 193 A HN 0.485 nan 8.150 nan 0.000 0.446 194 I N -2.017 118.617 120.570 0.107 0.000 2.406 194 I HA -0.117 4.119 4.170 0.110 0.000 0.249 194 I C 2.277 178.543 176.117 0.249 0.000 1.122 194 I CA 0.971 62.372 61.300 0.168 0.000 1.431 194 I CB -0.246 37.882 38.000 0.213 0.000 1.087 194 I HN 0.433 nan 8.210 nan 0.000 0.424 195 F N 2.103 122.159 119.950 0.177 0.000 2.113 195 F HA -0.141 4.453 4.527 0.112 0.000 0.297 195 F C 2.507 178.381 175.800 0.124 0.000 1.103 195 F CA 1.329 59.456 58.000 0.212 0.000 1.248 195 F CB -0.424 38.746 39.000 0.284 0.000 0.999 195 F HN -0.019 nan 8.300 nan 0.000 0.475 196 A N -0.141 122.725 122.820 0.075 0.000 1.873 196 A HA -0.227 4.159 4.320 0.110 0.000 0.218 196 A C 2.383 179.916 177.584 -0.086 0.000 1.193 196 A CA 2.356 54.356 52.037 -0.060 0.000 0.629 196 A CB -1.448 17.574 19.000 0.038 0.000 0.826 196 A HN 0.467 nan 8.150 nan 0.000 0.447 197 S N -0.225 115.445 115.700 -0.051 0.000 2.365 197 S HA -0.153 4.383 4.470 0.110 0.000 0.225 197 S C 2.312 176.913 174.600 0.002 0.000 1.039 197 S CA 1.488 59.638 58.200 -0.084 0.000 1.033 197 S CB -0.612 62.533 63.200 -0.093 0.000 0.887 197 S HN 0.872 nan 8.310 nan 0.000 0.447 198 A N 1.411 124.208 122.820 -0.038 0.000 1.940 198 A HA -0.064 4.322 4.320 0.110 0.000 0.219 198 A C 2.008 179.585 177.584 -0.013 0.000 1.176 198 A CA 1.619 53.633 52.037 -0.037 0.000 0.631 198 A CB -0.708 18.278 19.000 -0.024 0.000 0.814 198 A HN 0.726 nan 8.150 nan 0.000 0.446 199 I N -3.633 116.838 120.570 -0.165 0.000 3.976 199 I HA 0.144 4.381 4.170 0.110 0.000 0.337 199 I C 1.731 177.757 176.117 -0.151 0.000 1.359 199 I CA 0.462 61.651 61.300 -0.186 0.000 1.098 199 I CB -0.373 37.353 38.000 -0.456 0.000 1.027 199 I HN 0.445 nan 8.210 nan 0.000 0.394 200 H N 0.802 119.784 119.070 -0.148 0.000 2.489 200 H HA -0.119 4.508 4.556 0.119 0.000 0.295 200 H C 0.060 175.210 175.328 -0.296 0.000 1.082 200 H CA 1.583 57.554 56.048 -0.128 0.000 1.295 200 H CB -0.141 29.582 29.762 -0.064 0.000 1.380 200 H HN 0.419 nan 8.280 nan 0.000 0.548 201 D N 0.765 120.620 120.400 -0.909 0.000 2.540 201 D HA 0.110 4.816 4.640 0.110 0.000 0.229 201 D C -0.074 175.701 176.300 -0.875 0.000 1.250 201 D CA -0.300 53.001 54.000 -1.164 0.000 0.817 201 D CB 0.832 41.336 40.800 -0.493 0.000 1.060 201 D HN 0.110 nan 8.370 nan 0.000 0.508 202 V N 1.647 121.071 119.914 -0.817 0.000 2.644 202 V HA -0.048 4.138 4.120 0.110 0.000 0.305 202 V C 0.641 176.491 176.094 -0.407 0.000 1.053 202 V CA 1.012 62.686 62.300 -1.044 0.000 1.186 202 V CB 0.543 31.976 31.823 -0.650 0.000 0.895 202 V HN 0.383 nan 8.190 nan 0.000 0.490 203 D N 3.279 123.413 120.400 -0.442 0.000 2.981 203 D HA -0.211 4.495 4.640 0.110 0.000 0.223 203 D C 0.078 176.243 176.300 -0.226 0.000 1.151 203 D CA 1.195 55.092 54.000 -0.171 0.000 0.827 203 D CB -1.513 39.332 40.800 0.076 0.000 1.101 203 D HN 0.881 nan 8.370 nan 0.000 0.426 204 H N 0.173 119.040 119.070 -0.339 0.000 2.848 204 H HA 0.176 4.805 4.556 0.123 0.000 0.317 204 H C -1.511 173.591 175.328 -0.376 0.000 1.046 204 H CA -0.504 55.461 56.048 -0.138 0.000 1.470 204 H CB 1.330 31.071 29.762 -0.035 0.000 1.483 204 H HN 0.127 nan 8.280 nan 0.000 0.548 205 P HA 0.064 nan 4.420 nan 0.000 0.249 205 P C 0.651 178.076 177.300 0.210 0.000 1.229 205 P CA 1.165 64.340 63.100 0.125 0.000 0.788 205 P CB 0.533 32.274 31.700 0.069 0.000 1.072 206 G N -0.277 108.768 108.800 0.407 0.000 2.141 206 G HA2 -0.169 3.857 3.960 0.110 0.000 0.242 206 G HA3 -0.169 3.857 3.960 0.110 0.000 0.242 206 G C 0.054 175.027 174.900 0.122 0.000 0.982 206 G CA 0.114 45.379 45.100 0.275 0.000 0.662 206 G HN 0.547 nan 8.290 nan 0.000 0.527 207 V N -2.010 117.934 119.914 0.049 0.000 3.040 207 V HA 0.957 5.143 4.120 0.110 0.000 0.312 207 V C 0.595 176.664 176.094 -0.043 0.000 1.115 207 V CA -0.172 62.041 62.300 -0.146 0.000 0.998 207 V CB 1.496 33.027 31.823 -0.487 0.000 1.042 207 V HN 1.388 nan 8.190 nan 0.000 0.433 208 S N 1.230 116.899 115.700 -0.051 0.000 2.624 208 S HA 0.281 4.817 4.470 0.110 0.000 0.263 208 S C 0.768 175.381 174.600 0.021 0.000 1.287 208 S CA -0.132 58.058 58.200 -0.016 0.000 0.990 208 S CB 0.557 63.722 63.200 -0.059 0.000 0.950 208 S HN 0.793 nan 8.310 nan 0.000 0.561 209 N N 0.706 119.404 118.700 -0.004 0.000 2.104 209 N HA -0.146 4.660 4.740 0.110 0.000 0.190 209 N C 1.711 177.235 175.510 0.024 0.000 1.024 209 N CA 1.506 54.553 53.050 -0.006 0.000 0.853 209 N CB -0.712 37.769 38.487 -0.010 0.000 1.008 209 N HN 0.751 nan 8.380 nan 0.000 0.424 210 Q N 0.113 119.931 119.800 0.031 0.000 2.170 210 Q HA -0.018 4.388 4.340 0.110 0.000 0.203 210 Q C 1.764 177.790 176.000 0.042 0.000 0.976 210 Q CA 0.983 56.801 55.803 0.024 0.000 0.858 210 Q CB -0.489 28.258 28.738 0.015 0.000 0.907 210 Q HN 0.388 nan 8.270 nan 0.000 0.433 211 F N -0.378 119.538 119.950 -0.056 0.000 2.146 211 F HA -0.104 4.480 4.527 0.095 0.000 0.298 211 F C 1.448 177.222 175.800 -0.042 0.000 1.096 211 F CA 1.185 59.156 58.000 -0.048 0.000 1.275 211 F CB -0.007 38.963 39.000 -0.050 0.000 1.008 211 F HN 0.080 nan 8.300 nan 0.000 0.480 212 L N -0.272 121.039 121.223 0.146 0.000 2.093 212 L HA -0.197 4.209 4.340 0.110 0.000 0.208 212 L C 2.401 179.243 176.870 -0.046 0.000 1.085 212 L CA 1.160 56.029 54.840 0.047 0.000 0.755 212 L CB -0.660 41.423 42.059 0.040 0.000 0.904 212 L HN 0.177 nan 8.230 nan 0.000 0.435 213 I N 0.036 120.583 120.570 -0.038 0.000 2.163 213 I HA -0.270 3.966 4.170 0.110 0.000 0.240 213 I C 2.221 178.285 176.117 -0.087 0.000 1.081 213 I CA 1.125 62.397 61.300 -0.047 0.000 1.353 213 I CB -0.433 37.551 38.000 -0.026 0.000 1.054 213 I HN 0.324 nan 8.210 nan 0.000 0.407 214 N N 0.574 119.199 118.700 -0.125 0.000 2.149 214 N HA -0.160 4.646 4.740 0.110 0.000 0.188 214 N C 1.814 177.205 175.510 -0.200 0.000 1.019 214 N CA 2.092 55.047 53.050 -0.159 0.000 0.857 214 N CB -0.762 37.611 38.487 -0.190 0.000 0.997 214 N HN 0.478 nan 8.380 nan 0.000 0.426 215 T N -1.928 112.459 114.554 -0.278 0.000 3.113 215 T HA 0.045 4.461 4.350 0.110 0.000 0.256 215 T C 0.279 174.895 174.700 -0.140 0.000 1.131 215 T CA -0.073 61.875 62.100 -0.254 0.000 1.074 215 T CB -0.093 68.567 68.868 -0.347 0.000 0.944 215 T HN 0.046 nan 8.240 nan 0.000 0.516 216 N N 1.690 120.324 118.700 -0.109 0.000 2.754 216 N HA -0.150 4.656 4.740 0.110 0.000 0.248 216 N C 0.058 175.532 175.510 -0.061 0.000 1.093 216 N CA 0.934 53.941 53.050 -0.071 0.000 0.699 216 N CB -2.125 36.325 38.487 -0.061 0.000 1.016 216 N HN 0.914 nan 8.380 nan 0.000 0.552 217 S N -1.092 114.571 115.700 -0.060 0.000 2.573 217 S HA 0.077 4.613 4.470 0.110 0.000 0.277 217 S C 1.423 175.996 174.600 -0.045 0.000 1.346 217 S CA 0.188 58.362 58.200 -0.043 0.000 1.034 217 S CB 1.768 64.953 63.200 -0.026 0.000 0.879 217 S HN 0.399 nan 8.310 nan 0.000 0.528 218 E N 1.455 121.627 120.200 -0.047 0.000 2.097 218 E HA -0.183 4.233 4.350 0.110 0.000 0.196 218 E C 1.711 178.264 176.600 -0.078 0.000 1.000 218 E CA 1.425 57.790 56.400 -0.059 0.000 0.804 218 E CB -0.313 29.355 29.700 -0.053 0.000 0.740 218 E HN 0.794 nan 8.360 nan 0.000 0.454 219 L N 0.215 121.391 121.223 -0.079 0.000 2.046 219 L HA -0.180 4.226 4.340 0.110 0.000 0.208 219 L C 2.669 179.549 176.870 0.017 0.000 1.077 219 L CA 1.123 55.926 54.840 -0.061 0.000 0.747 219 L CB -0.477 41.509 42.059 -0.121 0.000 0.896 219 L HN 0.275 nan 8.230 nan 0.000 0.432 220 A N -0.131 122.688 122.820 -0.002 0.000 1.930 220 A HA -0.136 4.250 4.320 0.110 0.000 0.217 220 A C 2.206 179.791 177.584 0.001 0.000 1.175 220 A CA 1.222 53.270 52.037 0.019 0.000 0.627 220 A CB -0.572 18.424 19.000 -0.008 0.000 0.815 220 A HN 0.359 nan 8.150 nan 0.000 0.443 221 L N -1.590 119.610 121.223 -0.037 0.000 2.141 221 L HA -0.154 4.252 4.340 0.110 0.000 0.209 221 L C 2.681 179.498 176.870 -0.089 0.000 1.094 221 L CA 1.462 56.271 54.840 -0.051 0.000 0.763 221 L CB -0.359 41.667 42.059 -0.056 0.000 0.908 221 L HN 0.481 nan 8.230 nan 0.000 0.437 222 M N -0.839 118.664 119.600 -0.162 0.000 2.200 222 M HA -0.170 4.376 4.480 0.110 0.000 0.265 222 M C 1.225 177.277 176.300 -0.413 0.000 1.066 222 M CA 1.872 56.973 55.300 -0.332 0.000 1.127 222 M CB -0.272 32.026 32.600 -0.504 0.000 1.379 222 M HN 0.095 nan 8.290 nan 0.000 0.420 223 Y N 0.850 121.142 120.300 -0.014 0.000 2.571 223 Y HA 0.353 4.952 4.550 0.082 0.000 0.275 223 Y C 0.279 176.175 175.900 -0.007 0.000 1.179 223 Y CA -0.734 57.363 58.100 -0.005 0.000 1.242 223 Y CB -0.712 37.743 38.460 -0.009 0.000 1.126 223 Y HN 0.320 nan 8.280 nan 0.000 0.524 224 N N 1.340 120.089 118.700 0.081 0.000 2.714 224 N HA -0.246 4.560 4.740 0.110 0.000 0.252 224 N C -0.649 174.895 175.510 0.056 0.000 1.014 224 N CA 1.338 54.419 53.050 0.052 0.000 0.735 224 N CB -1.059 37.456 38.487 0.047 0.000 0.924 224 N HN 0.488 nan 8.380 nan 0.000 0.540 225 D N -2.316 118.118 120.400 0.057 0.000 3.018 225 D HA -0.169 4.537 4.640 0.110 0.000 0.224 225 D C -0.678 175.645 176.300 0.039 0.000 1.185 225 D CA 1.508 55.531 54.000 0.038 0.000 0.858 225 D CB -1.418 39.392 40.800 0.017 0.000 1.112 225 D HN 0.489 nan 8.370 nan 0.000 0.415 226 S N -0.348 115.387 115.700 0.058 0.000 2.498 226 S HA 0.410 4.946 4.470 0.110 0.000 0.324 226 S C 0.438 175.045 174.600 0.013 0.000 1.071 226 S CA -0.470 57.753 58.200 0.039 0.000 1.113 226 S CB 1.967 65.196 63.200 0.048 0.000 0.976 226 S HN 0.160 nan 8.310 nan 0.000 0.462 227 S N 1.279 116.974 115.700 -0.008 0.000 3.559 227 S HA -0.149 4.387 4.470 0.110 0.000 0.369 227 S C 1.442 175.970 174.600 -0.120 0.000 0.987 227 S CA 0.467 58.641 58.200 -0.044 0.000 1.187 227 S CB -1.798 61.378 63.200 -0.041 0.000 0.914 227 S HN 0.639 nan 8.310 nan 0.000 0.480 228 V N 0.569 120.435 119.914 -0.080 0.000 2.231 228 V HA -0.302 3.884 4.120 0.110 0.000 0.250 228 V C 2.276 178.229 176.094 -0.234 0.000 1.058 228 V CA 2.648 64.892 62.300 -0.093 0.000 1.022 228 V CB -0.550 31.266 31.823 -0.013 0.000 0.640 228 V HN 0.680 nan 8.190 nan 0.000 0.445 229 L N -0.692 120.384 121.223 -0.246 0.000 2.046 229 L HA -0.187 4.219 4.340 0.110 0.000 0.208 229 L C 2.672 179.162 176.870 -0.633 0.000 1.077 229 L CA 1.550 56.116 54.840 -0.456 0.000 0.747 229 L CB -0.536 41.259 42.059 -0.440 0.000 0.896 229 L HN 0.338 nan 8.230 nan 0.000 0.432 230 E N -0.039 119.993 120.200 -0.280 0.000 2.085 230 E HA -0.196 4.220 4.350 0.110 0.000 0.194 230 E C 1.970 178.457 176.600 -0.189 0.000 0.994 230 E CA 0.981 57.329 56.400 -0.087 0.000 0.801 230 E CB -0.263 29.446 29.700 0.014 0.000 0.743 230 E HN 0.340 nan 8.360 nan 0.000 0.453 231 N N -0.157 118.329 118.700 -0.358 0.000 2.120 231 N HA -0.178 4.628 4.740 0.110 0.000 0.188 231 N C 1.785 177.025 175.510 -0.450 0.000 1.024 231 N CA 1.220 53.953 53.050 -0.528 0.000 0.852 231 N CB -0.273 37.505 38.487 -1.181 0.000 1.003 231 N HN 0.267 nan 8.380 nan 0.000 0.424 232 H N 0.766 119.500 119.070 -0.559 0.000 2.357 232 H HA -0.039 4.569 4.556 0.087 0.000 0.301 232 H C 1.791 177.023 175.328 -0.159 0.000 1.082 232 H CA 1.705 57.604 56.048 -0.248 0.000 1.342 232 H CB -0.153 29.468 29.762 -0.234 0.000 1.389 232 H HN 0.290 nan 8.280 nan 0.000 0.511 233 H N -0.043 118.916 119.070 -0.185 0.000 2.352 233 H HA -0.117 4.504 4.556 0.109 0.000 0.299 233 H C 2.620 177.799 175.328 -0.249 0.000 1.097 233 H CA 1.477 57.375 56.048 -0.251 0.000 1.311 233 H CB -0.528 29.134 29.762 -0.168 0.000 1.377 233 H HN 0.351 nan 8.280 nan 0.000 0.504 234 L N 0.062 121.246 121.223 -0.064 0.000 1.994 234 L HA -0.149 4.257 4.340 0.110 0.000 0.208 234 L C 2.917 179.762 176.870 -0.041 0.000 1.071 234 L CA 1.025 55.795 54.840 -0.117 0.000 0.745 234 L CB -0.582 41.496 42.059 0.032 0.000 0.892 234 L HN 0.223 nan 8.230 nan 0.000 0.431 235 A N -0.277 122.581 122.820 0.063 0.000 1.873 235 A HA -0.211 4.175 4.320 0.110 0.000 0.218 235 A C 2.297 179.928 177.584 0.078 0.000 1.193 235 A CA 2.305 54.438 52.037 0.161 0.000 0.629 235 A CB -1.032 18.094 19.000 0.210 0.000 0.826 235 A HN 0.226 nan 8.150 nan 0.000 0.447 236 V N -0.197 119.653 119.914 -0.107 0.000 2.427 236 V HA -0.150 4.036 4.120 0.110 0.000 0.248 236 V C 2.796 178.849 176.094 -0.068 0.000 1.051 236 V CA 1.851 64.078 62.300 -0.123 0.000 1.048 236 V CB -1.465 30.196 31.823 -0.271 0.000 0.666 236 V HN 0.643 nan 8.190 nan 0.000 0.456 237 G N -0.530 108.200 108.800 -0.117 0.000 2.418 237 G HA2 -0.232 3.794 3.960 0.110 0.000 0.217 237 G HA3 -0.232 3.794 3.960 0.110 0.000 0.217 237 G C 1.405 176.416 174.900 0.186 0.000 1.158 237 G CA 0.848 45.897 45.100 -0.084 0.000 0.771 237 G HN 0.452 nan 8.290 nan 0.000 0.545 238 F N 0.905 121.010 119.950 0.259 0.000 2.234 238 F HA 0.176 4.769 4.527 0.110 0.000 0.296 238 F C 2.442 178.348 175.800 0.176 0.000 1.089 238 F CA 1.072 59.227 58.000 0.259 0.000 1.343 238 F CB -0.328 38.787 39.000 0.192 0.000 1.040 238 F HN 0.059 nan 8.300 nan 0.000 0.498 239 K N 1.039 121.625 120.400 0.309 0.000 2.097 239 K HA -0.063 4.323 4.320 0.110 0.000 0.205 239 K C 1.763 178.451 176.600 0.146 0.000 1.050 239 K CA 1.237 57.637 56.287 0.188 0.000 0.938 239 K CB -0.630 31.949 32.500 0.131 0.000 0.718 239 K HN 0.261 nan 8.250 nan 0.000 0.442 240 L N 0.565 121.868 121.223 0.133 0.000 2.450 240 L HA -0.080 4.326 4.340 0.110 0.000 0.224 240 L C 1.782 178.806 176.870 0.257 0.000 1.149 240 L CA 0.496 55.381 54.840 0.075 0.000 0.816 240 L CB -0.314 41.673 42.059 -0.118 0.000 0.932 240 L HN 0.187 nan 8.230 nan 0.000 0.449 241 L N -0.843 120.565 121.223 0.308 0.000 2.395 241 L HA -0.132 4.274 4.340 0.110 0.000 0.218 241 L C 2.130 179.068 176.870 0.112 0.000 1.130 241 L CA 0.720 55.673 54.840 0.188 0.000 0.826 241 L CB -0.181 41.927 42.059 0.082 0.000 0.941 241 L HN 0.354 nan 8.230 nan 0.000 0.451 242 Q N -0.441 119.426 119.800 0.112 0.000 2.425 242 Q HA 0.023 4.429 4.340 0.110 0.000 0.204 242 Q C 0.368 176.405 176.000 0.062 0.000 0.933 242 Q CA 0.104 55.952 55.803 0.075 0.000 0.939 242 Q CB 0.360 29.142 28.738 0.074 0.000 1.044 242 Q HN 0.504 nan 8.270 nan 0.000 0.513 243 E N 1.281 121.521 120.200 0.066 0.000 2.421 243 E HA 0.013 4.429 4.350 0.110 0.000 0.253 243 E C -0.345 176.281 176.600 0.044 0.000 1.277 243 E CA -0.316 56.113 56.400 0.049 0.000 0.968 243 E CB 0.453 30.174 29.700 0.035 0.000 1.040 243 E HN 0.087 nan 8.360 nan 0.000 0.512 244 E N 1.622 121.843 120.200 0.035 0.000 2.493 244 E HA -0.217 4.199 4.350 0.110 0.000 0.255 244 E C -0.347 176.270 176.600 0.029 0.000 0.999 244 E CA 0.331 56.748 56.400 0.029 0.000 0.934 244 E CB -0.139 29.575 29.700 0.023 0.000 0.940 244 E HN 0.548 nan 8.360 nan 0.000 0.473 245 N N 3.681 122.397 118.700 0.026 0.000 2.686 245 N HA -0.255 4.551 4.740 0.110 0.000 0.261 245 N C -0.435 175.094 175.510 0.032 0.000 1.001 245 N CA 0.312 53.375 53.050 0.022 0.000 0.764 245 N CB -0.902 37.595 38.487 0.017 0.000 0.898 245 N HN 0.488 nan 8.380 nan 0.000 0.544 246 C N -0.606 118.722 119.300 0.045 0.000 3.730 246 C HA 0.113 4.639 4.460 0.110 0.000 0.397 246 C C 0.708 175.697 174.990 -0.001 0.000 1.468 246 C CA -0.293 58.784 59.018 0.099 0.000 1.931 246 C CB -0.229 27.624 27.740 0.189 0.000 2.773 246 C HN 0.580 nan 8.230 nan 0.000 0.692 247 D N 2.643 123.014 120.400 -0.048 0.000 2.429 247 D HA 0.050 4.756 4.640 0.110 0.000 0.253 247 D C 1.330 177.490 176.300 -0.233 0.000 1.294 247 D CA -0.029 53.886 54.000 -0.141 0.000 1.063 247 D CB -0.190 40.582 40.800 -0.046 0.000 1.096 247 D HN 0.644 nan 8.370 nan 0.000 0.516 248 I N -1.056 119.211 120.570 -0.504 0.000 3.083 248 I HA -0.040 4.197 4.170 0.110 0.000 0.273 248 I C 0.322 176.194 176.117 -0.408 0.000 1.297 248 I CA 0.521 61.521 61.300 -0.500 0.000 1.452 248 I CB -0.314 37.263 38.000 -0.705 0.000 1.078 248 I HN 0.015 nan 8.210 nan 0.000 0.484 249 F N 1.965 121.823 119.950 -0.153 0.000 2.639 249 F HA 0.196 4.787 4.527 0.108 0.000 0.302 249 F C 2.294 178.051 175.800 -0.072 0.000 1.097 249 F CA -0.753 57.161 58.000 -0.144 0.000 1.294 249 F CB -0.662 38.203 39.000 -0.226 0.000 1.027 249 F HN 0.204 nan 8.300 nan 0.000 0.550 250 Q N 0.110 119.956 119.800 0.077 0.000 2.112 250 Q HA -0.222 4.184 4.340 0.110 0.000 0.206 250 Q C 0.661 176.704 176.000 0.072 0.000 0.987 250 Q CA 1.876 57.714 55.803 0.058 0.000 0.858 250 Q CB -0.604 28.151 28.738 0.029 0.000 0.905 250 Q HN 0.213 nan 8.270 nan 0.000 0.420 251 N N 0.455 119.211 118.700 0.094 0.000 2.413 251 N HA 0.162 4.968 4.740 0.110 0.000 0.207 251 N C -0.877 174.707 175.510 0.123 0.000 1.206 251 N CA 0.216 53.326 53.050 0.099 0.000 0.832 251 N CB 0.157 38.708 38.487 0.105 0.000 1.037 251 N HN 0.152 nan 8.380 nan 0.000 0.467 252 L N 0.313 121.606 121.223 0.117 0.000 2.334 252 L HA 0.281 4.687 4.340 0.110 0.000 0.275 252 L C 1.133 178.036 176.870 0.054 0.000 1.036 252 L CA -0.593 54.311 54.840 0.108 0.000 0.807 252 L CB 1.208 43.304 42.059 0.061 0.000 1.231 252 L HN 0.014 nan 8.230 nan 0.000 0.438 253 T N -1.709 112.874 114.554 0.048 0.000 2.802 253 T HA 0.067 4.483 4.350 0.110 0.000 0.305 253 T C 1.065 175.763 174.700 -0.004 0.000 1.053 253 T CA -0.434 61.679 62.100 0.021 0.000 1.058 253 T CB 0.471 69.351 68.868 0.020 0.000 0.988 253 T HN 0.669 nan 8.240 nan 0.000 0.539 254 K N 0.223 120.616 120.400 -0.011 0.000 2.280 254 K HA -0.139 4.247 4.320 0.110 0.000 0.202 254 K C 1.575 178.151 176.600 -0.040 0.000 1.047 254 K CA 1.069 57.340 56.287 -0.028 0.000 0.942 254 K CB -0.047 32.439 32.500 -0.023 0.000 0.739 254 K HN 0.433 nan 8.250 nan 0.000 0.457 255 K N 0.595 120.978 120.400 -0.029 0.000 2.116 255 K HA -0.023 4.363 4.320 0.110 0.000 0.203 255 K C 2.088 178.663 176.600 -0.042 0.000 1.052 255 K CA 1.127 57.395 56.287 -0.033 0.000 0.952 255 K CB -0.049 32.441 32.500 -0.017 0.000 0.729 255 K HN 0.214 nan 8.250 nan 0.000 0.446 256 Q N 0.288 120.069 119.800 -0.031 0.000 1.990 256 Q HA -0.043 4.364 4.340 0.110 0.000 0.200 256 Q C 2.171 178.094 176.000 -0.128 0.000 0.980 256 Q CA 1.381 57.157 55.803 -0.044 0.000 0.832 256 Q CB -0.150 28.593 28.738 0.008 0.000 0.897 256 Q HN 0.184 nan 8.270 nan 0.000 0.427 257 R N 0.674 121.089 120.500 -0.141 0.000 2.096 257 R HA -0.219 4.188 4.340 0.110 0.000 0.240 257 R C 2.339 178.525 176.300 -0.190 0.000 1.139 257 R CA 1.808 57.785 56.100 -0.206 0.000 0.952 257 R CB -0.274 29.942 30.300 -0.140 0.000 0.854 257 R HN 0.406 nan 8.270 nan 0.000 0.436 258 Q N -0.367 119.352 119.800 -0.134 0.000 2.084 258 Q HA -0.156 4.250 4.340 0.110 0.000 0.202 258 Q C 2.263 178.190 176.000 -0.123 0.000 0.978 258 Q CA 1.737 57.465 55.803 -0.124 0.000 0.844 258 Q CB -0.170 28.510 28.738 -0.096 0.000 0.898 258 Q HN 0.215 nan 8.270 nan 0.000 0.426 259 S N 0.465 116.099 115.700 -0.111 0.000 2.371 259 S HA -0.113 4.423 4.470 0.110 0.000 0.224 259 S C 1.851 176.406 174.600 -0.075 0.000 1.029 259 S CA 0.642 58.789 58.200 -0.088 0.000 0.978 259 S CB -0.135 63.032 63.200 -0.055 0.000 0.833 259 S HN 0.306 nan 8.310 nan 0.000 0.466 260 L N 2.312 123.446 121.223 -0.148 0.000 1.994 260 L HA -0.000 4.406 4.340 0.110 0.000 0.208 260 L C 2.498 179.312 176.870 -0.093 0.000 1.071 260 L CA 2.253 56.975 54.840 -0.197 0.000 0.745 260 L CB -0.826 40.948 42.059 -0.474 0.000 0.892 260 L HN 0.308 nan 8.230 nan 0.000 0.431 261 R N -0.199 120.217 120.500 -0.138 0.000 2.112 261 R HA -0.282 4.124 4.340 0.110 0.000 0.242 261 R C 2.506 178.837 176.300 0.053 0.000 1.137 261 R CA 2.369 58.422 56.100 -0.079 0.000 0.944 261 R CB -0.407 29.721 30.300 -0.287 0.000 0.857 261 R HN 0.442 nan 8.270 nan 0.000 0.435 262 K N 0.040 120.440 120.400 0.001 0.000 2.032 262 K HA -0.169 4.217 4.320 0.110 0.000 0.209 262 K C 2.213 178.904 176.600 0.150 0.000 1.048 262 K CA 2.019 58.335 56.287 0.048 0.000 0.927 262 K CB -0.079 32.400 32.500 -0.035 0.000 0.712 262 K HN 0.243 nan 8.250 nan 0.000 0.441 263 M N 0.263 119.960 119.600 0.162 0.000 2.086 263 M HA -0.174 4.372 4.480 0.110 0.000 0.261 263 M C 2.210 178.604 176.300 0.157 0.000 1.067 263 M CA 1.362 56.779 55.300 0.194 0.000 1.116 263 M CB -0.224 32.464 32.600 0.147 0.000 1.348 263 M HN 0.007 nan 8.290 nan 0.000 0.407 264 V N 0.922 120.954 119.914 0.196 0.000 2.287 264 V HA -0.285 3.901 4.120 0.110 0.000 0.248 264 V C 2.252 178.480 176.094 0.223 0.000 1.053 264 V CA 1.883 64.332 62.300 0.248 0.000 1.027 264 V CB -0.582 31.507 31.823 0.444 0.000 0.646 264 V HN 0.423 nan 8.190 nan 0.000 0.447 265 I N 0.112 120.858 120.570 0.293 0.000 2.151 265 I HA -0.286 3.950 4.170 0.110 0.000 0.243 265 I C 2.307 178.512 176.117 0.146 0.000 1.080 265 I CA 1.844 63.287 61.300 0.239 0.000 1.339 265 I CB -0.532 37.607 38.000 0.233 0.000 1.039 265 I HN 0.330 nan 8.210 nan 0.000 0.409 266 D N 0.728 121.211 120.400 0.139 0.000 2.149 266 D HA -0.134 4.572 4.640 0.110 0.000 0.198 266 D C 2.186 178.521 176.300 0.058 0.000 0.990 266 D CA 1.302 55.363 54.000 0.102 0.000 0.839 266 D CB -0.099 40.780 40.800 0.132 0.000 0.948 266 D HN 0.366 nan 8.370 nan 0.000 0.460 267 I N -0.094 120.511 120.570 0.057 0.000 2.235 267 I HA -0.183 4.053 4.170 0.110 0.000 0.241 267 I C 2.360 178.497 176.117 0.032 0.000 1.085 267 I CA 0.469 61.782 61.300 0.021 0.000 1.378 267 I CB -0.147 37.859 38.000 0.010 0.000 1.076 267 I HN -0.130 nan 8.210 nan 0.000 0.415 268 V N 1.152 121.100 119.914 0.057 0.000 2.343 268 V HA -0.266 3.920 4.120 0.110 0.000 0.247 268 V C 2.412 178.553 176.094 0.079 0.000 1.051 268 V CA 1.623 63.969 62.300 0.076 0.000 1.036 268 V CB -0.551 31.308 31.823 0.060 0.000 0.654 268 V HN 0.372 nan 8.190 nan 0.000 0.451 269 L N 0.191 121.450 121.223 0.061 0.000 2.127 269 L HA -0.151 4.255 4.340 0.110 0.000 0.211 269 L C 2.450 179.337 176.870 0.029 0.000 1.089 269 L CA 1.424 56.290 54.840 0.043 0.000 0.757 269 L CB -0.560 41.523 42.059 0.041 0.000 0.899 269 L HN 0.389 nan 8.230 nan 0.000 0.434 270 A N -0.744 122.082 122.820 0.011 0.000 2.235 270 A HA -0.074 4.312 4.320 0.110 0.000 0.208 270 A C 2.085 179.626 177.584 -0.072 0.000 1.172 270 A CA 1.215 53.227 52.037 -0.042 0.000 0.786 270 A CB -0.638 18.323 19.000 -0.064 0.000 0.804 270 A HN 0.494 nan 8.150 nan 0.000 0.479 271 T N -2.677 111.896 114.554 0.031 0.000 3.129 271 T HA 0.030 4.446 4.350 0.110 0.000 0.251 271 T C 0.433 175.229 174.700 0.159 0.000 1.117 271 T CA 0.345 62.518 62.100 0.122 0.000 1.034 271 T CB -0.341 68.664 68.868 0.230 0.000 0.968 271 T HN 0.281 nan 8.240 nan 0.000 0.526 272 D N 1.606 122.065 120.400 0.098 0.000 2.342 272 D HA 0.074 4.780 4.640 0.110 0.000 0.260 272 D C 1.301 177.667 176.300 0.110 0.000 1.278 272 D CA -0.402 53.661 54.000 0.106 0.000 0.910 272 D CB 0.549 41.386 40.800 0.062 0.000 1.079 272 D HN -0.067 nan 8.370 nan 0.000 0.496 273 M N 2.617 122.318 119.600 0.168 0.000 2.252 273 M HA -0.216 4.330 4.480 0.110 0.000 0.257 273 M C 1.913 178.317 176.300 0.173 0.000 1.077 273 M CA 1.197 56.618 55.300 0.202 0.000 1.066 273 M CB -1.243 31.471 32.600 0.191 0.000 1.380 273 M HN 0.532 nan 8.290 nan 0.000 0.412 274 S N -1.029 114.742 115.700 0.119 0.000 2.507 274 S HA -0.050 4.486 4.470 0.110 0.000 0.235 274 S C 1.574 176.225 174.600 0.086 0.000 0.988 274 S CA 0.571 58.830 58.200 0.098 0.000 0.944 274 S CB -0.116 63.125 63.200 0.067 0.000 0.762 274 S HN 0.340 nan 8.310 nan 0.000 0.526 275 K N 0.532 120.975 120.400 0.071 0.000 2.379 275 K HA 0.150 4.536 4.320 0.110 0.000 0.194 275 K C 1.535 178.141 176.600 0.010 0.000 1.031 275 K CA 0.556 56.855 56.287 0.021 0.000 1.037 275 K CB -0.543 31.944 32.500 -0.022 0.000 0.824 275 K HN 0.595 nan 8.250 nan 0.000 0.516 276 H N 1.983 121.042 119.070 -0.018 0.000 2.255 276 H HA -0.163 4.459 4.556 0.110 0.000 0.290 276 H C 1.917 177.277 175.328 0.054 0.000 1.087 276 H CA 2.410 58.476 56.048 0.028 0.000 1.213 276 H CB 0.075 29.942 29.762 0.176 0.000 1.349 276 H HN -0.097 nan 8.280 nan 0.000 0.487 277 M N 0.444 120.021 119.600 -0.038 0.000 2.089 277 M HA -0.223 4.323 4.480 0.110 0.000 0.257 277 M C 1.918 178.151 176.300 -0.112 0.000 1.071 277 M CA 1.625 56.874 55.300 -0.084 0.000 1.096 277 M CB -1.043 31.587 32.600 0.050 0.000 1.330 277 M HN 0.479 nan 8.290 nan 0.000 0.403 278 N N 0.087 118.746 118.700 -0.068 0.000 2.171 278 N HA -0.088 4.719 4.740 0.110 0.000 0.184 278 N C 1.785 177.246 175.510 -0.081 0.000 1.021 278 N CA 0.776 53.793 53.050 -0.055 0.000 0.854 278 N CB -0.534 37.937 38.487 -0.027 0.000 0.994 278 N HN 0.211 nan 8.380 nan 0.000 0.426 279 L N 1.150 122.304 121.223 -0.114 0.000 2.127 279 L HA -0.089 4.317 4.340 0.110 0.000 0.211 279 L C 2.008 178.814 176.870 -0.108 0.000 1.089 279 L CA 1.125 55.895 54.840 -0.117 0.000 0.757 279 L CB -0.552 41.400 42.059 -0.179 0.000 0.899 279 L HN 0.110 nan 8.230 nan 0.000 0.434 280 L N -1.084 120.031 121.223 -0.180 0.000 2.095 280 L HA 0.112 4.519 4.340 0.110 0.000 0.204 280 L C 2.464 179.290 176.870 -0.074 0.000 1.080 280 L CA 1.744 56.500 54.840 -0.141 0.000 0.759 280 L CB -0.988 40.917 42.059 -0.257 0.000 0.914 280 L HN 0.186 nan 8.230 nan 0.000 0.439 281 A N -0.318 122.457 122.820 -0.074 0.000 1.859 281 A HA -0.256 4.130 4.320 0.110 0.000 0.217 281 A C 2.003 179.572 177.584 -0.025 0.000 1.198 281 A CA 2.152 54.167 52.037 -0.036 0.000 0.629 281 A CB -1.025 17.958 19.000 -0.028 0.000 0.830 281 A HN 0.555 nan 8.150 nan 0.000 0.446 282 D N -0.642 119.742 120.400 -0.027 0.000 2.218 282 D HA -0.102 4.604 4.640 0.110 0.000 0.204 282 D C 1.776 178.068 176.300 -0.013 0.000 0.976 282 D CA 1.154 55.144 54.000 -0.018 0.000 0.853 282 D CB -0.232 40.557 40.800 -0.018 0.000 0.939 282 D HN 0.373 nan 8.370 nan 0.000 0.481 283 L N 1.251 122.467 121.223 -0.011 0.000 2.109 283 L HA -0.098 4.308 4.340 0.110 0.000 0.207 283 L C 1.936 178.803 176.870 -0.005 0.000 1.086 283 L CA 1.626 56.469 54.840 0.005 0.000 0.760 283 L CB -0.182 41.895 42.059 0.029 0.000 0.910 283 L HN -0.204 nan 8.230 nan 0.000 0.437 284 K N -1.209 119.186 120.400 -0.009 0.000 2.057 284 K HA -0.109 4.278 4.320 0.110 0.000 0.206 284 K C 1.906 178.498 176.600 -0.015 0.000 1.050 284 K CA 1.821 58.102 56.287 -0.010 0.000 0.935 284 K CB -0.425 32.072 32.500 -0.005 0.000 0.715 284 K HN 0.348 nan 8.250 nan 0.000 0.439 285 T N 1.758 116.304 114.554 -0.013 0.000 2.720 285 T HA -0.173 4.243 4.350 0.110 0.000 0.268 285 T C 1.737 176.425 174.700 -0.019 0.000 1.037 285 T CA 1.331 63.423 62.100 -0.014 0.000 1.144 285 T CB -0.117 68.745 68.868 -0.011 0.000 0.864 285 T HN 0.231 nan 8.240 nan 0.000 0.444 286 M N 0.781 120.369 119.600 -0.021 0.000 2.358 286 M HA -0.073 4.473 4.480 0.110 0.000 0.264 286 M C 1.805 178.080 176.300 -0.042 0.000 1.064 286 M CA 1.147 56.430 55.300 -0.028 0.000 1.093 286 M CB -0.093 32.493 32.600 -0.024 0.000 1.401 286 M HN 0.088 nan 8.290 nan 0.000 0.440 287 V N 0.098 119.987 119.914 -0.042 0.000 2.649 287 V HA -0.153 4.033 4.120 0.110 0.000 0.248 287 V C 1.871 177.938 176.094 -0.045 0.000 1.054 287 V CA 1.465 63.732 62.300 -0.054 0.000 1.073 287 V CB -0.572 31.220 31.823 -0.051 0.000 0.699 287 V HN 0.487 nan 8.190 nan 0.000 0.463 288 E N 0.913 121.093 120.200 -0.033 0.000 2.028 288 E HA -0.180 4.236 4.350 0.110 0.000 0.191 288 E C 2.063 178.643 176.600 -0.033 0.000 0.988 288 E CA 1.866 58.249 56.400 -0.029 0.000 0.799 288 E CB -0.356 29.332 29.700 -0.020 0.000 0.755 288 E HN 0.707 nan 8.360 nan 0.000 0.447 289 T N -0.248 114.288 114.554 -0.031 0.000 3.252 289 T HA 0.067 4.484 4.350 0.110 0.000 0.250 289 T C 0.567 175.243 174.700 -0.040 0.000 1.123 289 T CA -0.243 61.838 62.100 -0.031 0.000 1.006 289 T CB -0.131 68.722 68.868 -0.025 0.000 0.992 289 T HN -0.064 nan 8.240 nan 0.000 0.547 290 K N 1.547 121.917 120.400 -0.049 0.000 2.591 290 K HA 0.006 4.392 4.320 0.110 0.000 0.280 290 K C -0.234 176.330 176.600 -0.061 0.000 0.964 290 K CA 0.483 56.732 56.287 -0.063 0.000 1.014 290 K CB 0.276 32.731 32.500 -0.075 0.000 0.877 290 K HN 0.418 nan 8.250 nan 0.000 0.502 291 K N 2.554 122.914 120.400 -0.067 0.000 2.557 291 K HA 0.275 4.661 4.320 0.110 0.000 0.261 291 K C -1.392 175.165 176.600 -0.072 0.000 0.932 291 K CA -0.912 55.338 56.287 -0.062 0.000 0.829 291 K CB 1.619 34.088 32.500 -0.051 0.000 1.358 291 K HN 0.420 nan 8.250 nan 0.000 0.430 292 V N -0.817 119.056 119.914 -0.069 0.000 3.019 292 V HA 0.707 4.893 4.120 0.110 0.000 0.317 292 V C 0.167 176.223 176.094 -0.063 0.000 1.094 292 V CA -0.451 61.805 62.300 -0.074 0.000 1.000 292 V CB 1.286 33.064 31.823 -0.075 0.000 1.060 292 V HN 0.960 nan 8.190 nan 0.000 0.443 293 T N -1.477 113.038 114.554 -0.066 0.000 2.888 293 T HA 0.361 4.777 4.350 0.110 0.000 0.283 293 T C 1.443 176.114 174.700 -0.049 0.000 1.013 293 T CA 0.500 62.566 62.100 -0.056 0.000 0.938 293 T CB 1.069 69.902 68.868 -0.059 0.000 1.298 293 T HN 1.205 nan 8.240 nan 0.000 0.580 294 S N 0.400 116.075 115.700 -0.042 0.000 2.392 294 S HA -0.190 4.346 4.470 0.110 0.000 0.225 294 S C 2.180 176.757 174.600 -0.038 0.000 1.041 294 S CA 2.288 60.466 58.200 -0.037 0.000 1.100 294 S CB -1.418 61.763 63.200 -0.032 0.000 1.029 294 S HN 0.731 nan 8.310 nan 0.000 0.424 295 S N 0.363 116.038 115.700 -0.040 0.000 2.488 295 S HA 0.113 4.649 4.470 0.110 0.000 0.246 295 S C 1.477 176.050 174.600 -0.045 0.000 0.992 295 S CA 1.077 59.252 58.200 -0.040 0.000 0.963 295 S CB -0.752 62.423 63.200 -0.042 0.000 0.754 295 S HN 1.294 nan 8.310 nan 0.000 0.519 296 G N 0.387 109.156 108.800 -0.051 0.000 2.132 296 G HA2 -0.231 3.795 3.960 0.110 0.000 0.234 296 G HA3 -0.231 3.795 3.960 0.110 0.000 0.234 296 G C 0.022 174.880 174.900 -0.069 0.000 0.989 296 G CA 0.033 45.099 45.100 -0.057 0.000 0.676 296 G HN 0.466 nan 8.290 nan 0.000 0.522 297 V N 0.829 120.698 119.914 -0.076 0.000 2.644 297 V HA 0.677 4.863 4.120 0.110 0.000 0.295 297 V C 1.226 177.250 176.094 -0.116 0.000 1.053 297 V CA -1.109 61.133 62.300 -0.097 0.000 0.987 297 V CB 1.661 33.425 31.823 -0.099 0.000 1.006 297 V HN 0.462 nan 8.190 nan 0.000 0.472 298 L N 3.629 124.765 121.223 -0.144 0.000 2.628 298 L HA 0.012 4.418 4.340 0.110 0.000 0.292 298 L C -0.191 176.586 176.870 -0.155 0.000 1.250 298 L CA 0.531 55.276 54.840 -0.158 0.000 0.892 298 L CB -0.032 41.907 42.059 -0.201 0.000 1.138 298 L HN 0.650 nan 8.230 nan 0.000 0.502 299 L N 6.944 128.094 121.223 -0.122 0.000 2.272 299 L HA 0.423 4.830 4.340 0.110 0.000 0.284 299 L C -0.978 175.837 176.870 -0.092 0.000 1.045 299 L CA 0.122 54.901 54.840 -0.101 0.000 0.842 299 L CB 0.241 42.255 42.059 -0.074 0.000 1.224 299 L HN 0.509 nan 8.230 nan 0.000 0.430 300 L N 5.367 126.527 121.223 -0.104 0.000 2.313 300 L HA 0.369 4.775 4.340 0.110 0.000 0.273 300 L C 0.418 177.269 176.870 -0.032 0.000 1.028 300 L CA -0.564 54.235 54.840 -0.068 0.000 0.871 300 L CB 0.932 42.939 42.059 -0.087 0.000 1.242 300 L HN 0.511 nan 8.230 nan 0.000 0.434 301 D N 1.757 122.148 120.400 -0.015 0.000 2.087 301 D HA -0.083 4.623 4.640 0.110 0.000 0.203 301 D C 0.728 177.047 176.300 0.032 0.000 0.976 301 D CA 1.361 55.363 54.000 0.004 0.000 0.865 301 D CB 0.063 40.864 40.800 0.002 0.000 1.005 301 D HN 0.647 nan 8.370 nan 0.000 0.449 302 N N -0.975 117.750 118.700 0.041 0.000 2.445 302 N HA -0.016 4.790 4.740 0.110 0.000 0.264 302 N C 0.692 176.265 175.510 0.105 0.000 1.227 302 N CA -0.551 52.546 53.050 0.078 0.000 0.963 302 N CB 0.458 38.987 38.487 0.069 0.000 1.188 302 N HN 0.044 nan 8.380 nan 0.000 0.491 303 Y N 0.792 121.114 120.300 0.036 0.000 2.128 303 Y HA -0.259 4.356 4.550 0.109 0.000 0.284 303 Y C 2.624 178.552 175.900 0.047 0.000 1.154 303 Y CA 2.145 60.272 58.100 0.045 0.000 1.149 303 Y CB -0.763 37.717 38.460 0.032 0.000 0.976 303 Y HN 0.740 nan 8.280 nan 0.000 0.505 304 S N -0.044 115.684 115.700 0.047 0.000 2.368 304 S HA -0.273 4.263 4.470 0.110 0.000 0.226 304 S C 1.851 176.390 174.600 -0.100 0.000 1.044 304 S CA 2.180 60.361 58.200 -0.033 0.000 1.062 304 S CB -0.659 62.569 63.200 0.046 0.000 0.931 304 S HN 0.670 nan 8.310 nan 0.000 0.440 305 D N 0.539 120.911 120.400 -0.046 0.000 2.117 305 D HA -0.025 4.681 4.640 0.110 0.000 0.198 305 D C 2.364 178.654 176.300 -0.017 0.000 0.982 305 D CA 0.914 54.898 54.000 -0.028 0.000 0.828 305 D CB -0.335 40.460 40.800 -0.009 0.000 0.967 305 D HN 0.493 nan 8.370 nan 0.000 0.464 306 R N 0.170 120.659 120.500 -0.019 0.000 2.081 306 R HA -0.109 4.297 4.340 0.110 0.000 0.235 306 R C 2.289 178.585 176.300 -0.007 0.000 1.131 306 R CA 0.686 56.845 56.100 0.098 0.000 0.960 306 R CB -0.271 30.102 30.300 0.121 0.000 0.856 306 R HN 0.144 nan 8.270 nan 0.000 0.436 307 I N 1.028 121.415 120.570 -0.305 0.000 2.406 307 I HA -0.182 4.054 4.170 0.110 0.000 0.249 307 I C 2.242 178.259 176.117 -0.166 0.000 1.122 307 I CA 1.403 62.490 61.300 -0.355 0.000 1.431 307 I CB -0.165 37.404 38.000 -0.719 0.000 1.087 307 I HN 0.106 nan 8.210 nan 0.000 0.424 308 Q N -0.465 119.264 119.800 -0.119 0.000 2.124 308 Q HA -0.166 4.240 4.340 0.110 0.000 0.202 308 Q C 2.189 178.207 176.000 0.029 0.000 0.977 308 Q CA 1.927 57.705 55.803 -0.042 0.000 0.850 308 Q CB 0.046 28.767 28.738 -0.028 0.000 0.901 308 Q HN 0.448 nan 8.270 nan 0.000 0.429 309 V N 0.521 120.488 119.914 0.087 0.000 2.453 309 V HA -0.241 3.945 4.120 0.110 0.000 0.247 309 V C 2.109 178.318 176.094 0.193 0.000 1.048 309 V CA 1.311 63.749 62.300 0.229 0.000 1.049 309 V CB -0.371 31.666 31.823 0.357 0.000 0.672 309 V HN 0.381 nan 8.190 nan 0.000 0.457 310 L N -0.660 120.564 121.223 0.002 0.000 2.056 310 L HA -0.195 4.211 4.340 0.110 0.000 0.207 310 L C 2.673 179.483 176.870 -0.101 0.000 1.078 310 L CA 1.506 56.254 54.840 -0.154 0.000 0.749 310 L CB -0.601 41.282 42.059 -0.293 0.000 0.901 310 L HN 0.356 nan 8.230 nan 0.000 0.433 311 Q N -0.115 119.644 119.800 -0.069 0.000 2.020 311 Q HA -0.193 4.213 4.340 0.110 0.000 0.202 311 Q C 2.057 178.025 176.000 -0.054 0.000 0.982 311 Q CA 1.490 57.258 55.803 -0.060 0.000 0.838 311 Q CB -0.156 28.549 28.738 -0.055 0.000 0.899 311 Q HN 0.491 nan 8.270 nan 0.000 0.423 312 N N 0.391 119.078 118.700 -0.021 0.000 2.244 312 N HA -0.140 4.666 4.740 0.110 0.000 0.183 312 N C 1.735 177.078 175.510 -0.279 0.000 1.016 312 N CA 0.929 53.963 53.050 -0.027 0.000 0.866 312 N CB -0.126 38.417 38.487 0.094 0.000 0.980 312 N HN 0.286 nan 8.380 nan 0.000 0.430 313 M N 0.848 120.241 119.600 -0.344 0.000 2.065 313 M HA -0.151 4.395 4.480 0.110 0.000 0.259 313 M C 1.828 177.834 176.300 -0.489 0.000 1.069 313 M CA 1.486 56.347 55.300 -0.733 0.000 1.110 313 M CB -0.003 32.407 32.600 -0.317 0.000 1.328 313 M HN -0.137 nan 8.290 nan 0.000 0.405 314 V N -0.174 119.584 119.914 -0.260 0.000 2.407 314 V HA -0.280 3.906 4.120 0.110 0.000 0.248 314 V C 2.367 178.367 176.094 -0.158 0.000 1.055 314 V CA 2.259 64.440 62.300 -0.199 0.000 1.049 314 V CB -1.376 30.359 31.823 -0.145 0.000 0.662 314 V HN 0.602 nan 8.190 nan 0.000 0.455 315 H N 0.004 118.939 119.070 -0.225 0.000 2.319 315 H HA -0.193 4.429 4.556 0.109 0.000 0.299 315 H C 2.263 177.474 175.328 -0.195 0.000 1.092 315 H CA 2.197 58.156 56.048 -0.149 0.000 1.302 315 H CB -0.685 29.019 29.762 -0.097 0.000 1.373 315 H HN 0.416 nan 8.280 nan 0.000 0.497 316 C N 0.390 119.425 119.300 -0.441 0.000 2.425 316 C HA -0.001 4.525 4.460 0.110 0.000 0.277 316 C C 3.096 177.984 174.990 -0.169 0.000 1.280 316 C CA 0.963 59.579 59.018 -0.670 0.000 1.744 316 C CB -1.358 25.501 27.740 -1.467 0.000 1.989 316 C HN 0.763 nan 8.230 nan 0.000 0.491 317 A N 0.212 122.934 122.820 -0.164 0.000 1.930 317 A HA -0.196 4.190 4.320 0.110 0.000 0.217 317 A C 1.849 179.379 177.584 -0.090 0.000 1.175 317 A CA 2.141 54.166 52.037 -0.020 0.000 0.627 317 A CB -0.567 18.362 19.000 -0.119 0.000 0.815 317 A HN 0.559 nan 8.150 nan 0.000 0.443 318 D N -0.601 119.724 120.400 -0.125 0.000 2.234 318 D HA -0.004 4.703 4.640 0.110 0.000 0.205 318 D C 0.994 177.341 176.300 0.079 0.000 0.962 318 D CA 0.699 54.678 54.000 -0.034 0.000 0.855 318 D CB -0.060 40.742 40.800 0.005 0.000 0.951 318 D HN 0.360 nan 8.370 nan 0.000 0.500 319 L N 0.550 121.780 121.223 0.012 0.000 3.073 319 L HA 0.236 4.642 4.340 0.110 0.000 0.242 319 L C 1.082 178.081 176.870 0.215 0.000 1.317 319 L CA -0.068 54.811 54.840 0.064 0.000 1.081 319 L CB 0.300 42.279 42.059 -0.133 0.000 1.456 319 L HN 0.031 nan 8.230 nan 0.000 0.525 320 S N -3.403 112.402 115.700 0.177 0.000 2.540 320 S HA 0.022 4.558 4.470 0.110 0.000 0.218 320 S C 1.149 175.695 174.600 -0.090 0.000 0.977 320 S CA -0.263 58.054 58.200 0.195 0.000 0.918 320 S CB -0.148 63.250 63.200 0.330 0.000 0.806 320 S HN 0.488 nan 8.310 nan 0.000 0.496 321 N N 3.005 121.622 118.700 -0.138 0.000 2.037 321 N HA -0.078 4.728 4.740 0.110 0.000 0.196 321 N C -1.325 173.983 175.510 -0.336 0.000 1.034 321 N CA 1.700 54.655 53.050 -0.159 0.000 0.861 321 N CB -0.857 37.651 38.487 0.035 0.000 1.039 321 N HN 0.420 nan 8.380 nan 0.000 0.427 322 P HA -0.075 nan 4.420 nan 0.000 0.230 322 P C 0.984 177.884 177.300 -0.667 0.000 1.158 322 P CA 1.187 63.515 63.100 -1.287 0.000 0.769 322 P CB -0.048 31.209 31.700 -0.738 0.000 0.807 323 T N -5.195 109.097 114.554 -0.436 0.000 3.086 323 T HA 0.144 4.560 4.350 0.110 0.000 0.250 323 T C 0.834 175.523 174.700 -0.019 0.000 1.074 323 T CA -0.070 61.833 62.100 -0.327 0.000 0.988 323 T CB -0.253 68.219 68.868 -0.660 0.000 0.988 323 T HN -0.162 nan 8.240 nan 0.000 0.530 324 K N 2.657 123.041 120.400 -0.027 0.000 2.090 324 K HA 0.419 4.805 4.320 0.110 0.000 0.249 324 K C -2.651 174.007 176.600 0.096 0.000 0.995 324 K CA -2.819 53.501 56.287 0.054 0.000 0.914 324 K CB 0.397 32.910 32.500 0.020 0.000 1.057 324 K HN 0.116 nan 8.250 nan 0.000 0.462 325 P HA -0.111 nan 4.420 nan 0.000 0.264 325 P C 1.065 178.424 177.300 0.099 0.000 1.179 325 P CA -0.146 63.008 63.100 0.090 0.000 0.763 325 P CB 0.489 32.242 31.700 0.090 0.000 0.806 326 L N 3.414 124.661 121.223 0.041 0.000 2.054 326 L HA -0.273 4.133 4.340 0.110 0.000 0.220 326 L C 2.657 179.476 176.870 -0.086 0.000 1.081 326 L CA 2.139 56.956 54.840 -0.039 0.000 0.780 326 L CB -1.400 40.483 42.059 -0.293 0.000 0.893 326 L HN 0.504 nan 8.230 nan 0.000 0.438 327 Q N -0.966 118.771 119.800 -0.105 0.000 2.096 327 Q HA -0.252 4.155 4.340 0.110 0.000 0.208 327 Q C 2.259 178.229 176.000 -0.050 0.000 0.993 327 Q CA 2.559 58.288 55.803 -0.123 0.000 0.862 327 Q CB -0.211 28.456 28.738 -0.119 0.000 0.915 327 Q HN 0.665 nan 8.270 nan 0.000 0.416 328 L N -0.653 120.620 121.223 0.083 0.000 2.072 328 L HA -0.161 4.246 4.340 0.110 0.000 0.205 328 L C 2.523 179.622 176.870 0.381 0.000 1.079 328 L CA 0.927 55.904 54.840 0.229 0.000 0.752 328 L CB -0.734 41.519 42.059 0.323 0.000 0.906 328 L HN 0.317 nan 8.230 nan 0.000 0.436 329 Y N 1.664 122.112 120.300 0.247 0.000 2.114 329 Y HA -0.256 4.359 4.550 0.109 0.000 0.282 329 Y C 2.692 178.754 175.900 0.271 0.000 1.165 329 Y CA 1.470 59.764 58.100 0.324 0.000 1.148 329 Y CB -0.434 38.156 38.460 0.218 0.000 0.972 329 Y HN 0.043 nan 8.280 nan 0.000 0.504 330 R N -0.142 120.366 120.500 0.014 0.000 2.152 330 R HA -0.167 4.239 4.340 0.110 0.000 0.232 330 R C 2.242 178.501 176.300 -0.068 0.000 1.117 330 R CA 1.484 57.518 56.100 -0.110 0.000 0.981 330 R CB -0.292 29.863 30.300 -0.241 0.000 0.870 330 R HN 0.561 nan 8.270 nan 0.000 0.451 331 Q N -0.665 119.058 119.800 -0.130 0.000 2.079 331 Q HA -0.178 4.228 4.340 0.110 0.000 0.200 331 Q C 1.788 177.673 176.000 -0.193 0.000 0.974 331 Q CA 1.534 57.133 55.803 -0.340 0.000 0.840 331 Q CB -0.105 28.169 28.738 -0.773 0.000 0.898 331 Q HN 0.453 nan 8.270 nan 0.000 0.430 332 W N 0.418 121.834 121.300 0.193 0.000 2.381 332 W HA -0.136 4.588 4.660 0.106 0.000 0.301 332 W C 2.479 179.087 176.519 0.147 0.000 1.205 332 W CA 1.105 58.620 57.345 0.283 0.000 1.285 332 W CB -0.397 29.296 29.460 0.388 0.000 1.133 332 W HN 0.063 nan 8.180 nan 0.000 0.521 333 T N 0.138 114.854 114.554 0.269 0.000 2.720 333 T HA -0.215 4.201 4.350 0.110 0.000 0.268 333 T C 1.103 175.776 174.700 -0.045 0.000 1.037 333 T CA 1.836 63.954 62.100 0.031 0.000 1.144 333 T CB -0.539 68.297 68.868 -0.054 0.000 0.864 333 T HN 0.069 nan 8.240 nan 0.000 0.444 334 D N 0.757 121.146 120.400 -0.019 0.000 2.144 334 D HA -0.043 4.663 4.640 0.110 0.000 0.199 334 D C 2.383 178.652 176.300 -0.052 0.000 0.984 334 D CA 0.933 54.903 54.000 -0.050 0.000 0.834 334 D CB -0.182 40.575 40.800 -0.071 0.000 0.955 334 D HN 0.354 nan 8.370 nan 0.000 0.465 335 R N -0.113 120.395 120.500 0.013 0.000 2.062 335 R HA -0.042 4.364 4.340 0.110 0.000 0.229 335 R C 2.330 178.664 176.300 0.056 0.000 1.128 335 R CA 0.421 56.571 56.100 0.084 0.000 0.960 335 R CB -0.299 30.123 30.300 0.203 0.000 0.855 335 R HN 0.107 nan 8.270 nan 0.000 0.432 336 I N 0.751 121.284 120.570 -0.062 0.000 2.226 336 I HA -0.262 3.975 4.170 0.110 0.000 0.245 336 I C 1.862 177.641 176.117 -0.563 0.000 1.100 336 I CA 1.586 62.581 61.300 -0.508 0.000 1.374 336 I CB -0.035 37.362 38.000 -1.005 0.000 1.057 336 I HN 0.113 nan 8.210 nan 0.000 0.413 337 M N -0.204 119.083 119.600 -0.521 0.000 2.159 337 M HA -0.215 4.332 4.480 0.110 0.000 0.263 337 M C 2.223 178.213 176.300 -0.516 0.000 1.063 337 M CA 1.554 56.452 55.300 -0.669 0.000 1.110 337 M CB -1.553 30.692 32.600 -0.591 0.000 1.374 337 M HN 0.415 nan 8.290 nan 0.000 0.411 338 E N 0.336 120.428 120.200 -0.180 0.000 2.051 338 E HA -0.242 4.174 4.350 0.110 0.000 0.192 338 E C 1.982 178.610 176.600 0.048 0.000 0.991 338 E CA 1.517 57.923 56.400 0.011 0.000 0.799 338 E CB -0.010 29.712 29.700 0.036 0.000 0.748 338 E HN 0.590 nan 8.360 nan 0.000 0.449 339 E N -0.677 119.549 120.200 0.044 0.000 2.058 339 E HA -0.202 4.214 4.350 0.110 0.000 0.194 339 E C 1.878 178.601 176.600 0.205 0.000 0.997 339 E CA 1.255 57.738 56.400 0.138 0.000 0.801 339 E CB -0.143 29.676 29.700 0.198 0.000 0.746 339 E HN 0.244 nan 8.360 nan 0.000 0.450 340 F N -0.007 119.843 119.950 -0.167 0.000 2.134 340 F HA -0.157 4.435 4.527 0.108 0.000 0.299 340 F C 2.084 177.858 175.800 -0.042 0.000 1.097 340 F CA 0.903 58.799 58.000 -0.173 0.000 1.264 340 F CB -0.765 38.043 39.000 -0.320 0.000 1.001 340 F HN 0.120 nan 8.300 nan 0.000 0.479 341 F N 0.133 120.170 119.950 0.145 0.000 2.234 341 F HA -0.101 4.491 4.527 0.110 0.000 0.299 341 F C 2.419 178.225 175.800 0.011 0.000 1.087 341 F CA 0.868 58.893 58.000 0.041 0.000 1.340 341 F CB -1.215 37.788 39.000 0.004 0.000 1.031 341 F HN -0.082 nan 8.300 nan 0.000 0.500 342 R N -0.155 120.465 120.500 0.200 0.000 2.115 342 R HA -0.178 4.228 4.340 0.110 0.000 0.230 342 R C 2.181 178.497 176.300 0.027 0.000 1.111 342 R CA 1.198 57.357 56.100 0.098 0.000 0.976 342 R CB -0.390 29.955 30.300 0.074 0.000 0.870 342 R HN 0.393 nan 8.270 nan 0.000 0.445 343 Q N -0.228 119.566 119.800 -0.009 0.000 2.083 343 Q HA -0.095 4.311 4.340 0.110 0.000 0.198 343 Q C 2.013 178.002 176.000 -0.019 0.000 0.969 343 Q CA 1.595 57.316 55.803 -0.136 0.000 0.838 343 Q CB -0.145 28.463 28.738 -0.217 0.000 0.900 343 Q HN 0.386 nan 8.270 nan 0.000 0.436 344 G N 0.705 109.535 108.800 0.051 0.000 2.440 344 G HA2 -0.285 3.741 3.960 0.110 0.000 0.218 344 G HA3 -0.285 3.741 3.960 0.110 0.000 0.218 344 G C 0.946 175.895 174.900 0.082 0.000 1.154 344 G CA 1.126 46.278 45.100 0.086 0.000 0.767 344 G HN 0.373 nan 8.290 nan 0.000 0.552 345 D N 0.272 120.715 120.400 0.071 0.000 2.117 345 D HA -0.047 4.659 4.640 0.110 0.000 0.197 345 D C 2.706 179.052 176.300 0.076 0.000 0.987 345 D CA 0.567 54.605 54.000 0.062 0.000 0.829 345 D CB -0.186 40.643 40.800 0.049 0.000 0.961 345 D HN 0.243 nan 8.370 nan 0.000 0.460 346 R N 0.604 121.149 120.500 0.075 0.000 2.075 346 R HA -0.065 4.341 4.340 0.110 0.000 0.232 346 R C 2.170 178.590 176.300 0.201 0.000 1.126 346 R CA 0.845 57.017 56.100 0.120 0.000 0.963 346 R CB -0.223 30.121 30.300 0.072 0.000 0.858 346 R HN 0.374 nan 8.270 nan 0.000 0.435 347 E N 0.311 120.645 120.200 0.225 0.000 2.077 347 E HA -0.194 4.223 4.350 0.110 0.000 0.193 347 E C 2.112 178.783 176.600 0.119 0.000 0.989 347 E CA 0.894 57.424 56.400 0.216 0.000 0.800 347 E CB -0.105 29.712 29.700 0.196 0.000 0.746 347 E HN 0.210 nan 8.360 nan 0.000 0.452 348 R N 1.269 121.830 120.500 0.101 0.000 2.092 348 R HA -0.147 4.259 4.340 0.110 0.000 0.231 348 R C 1.850 178.190 176.300 0.066 0.000 1.119 348 R CA 1.351 57.497 56.100 0.078 0.000 0.970 348 R CB 0.088 30.439 30.300 0.084 0.000 0.864 348 R HN 0.162 nan 8.270 nan 0.000 0.440 349 E N -0.042 120.201 120.200 0.072 0.000 2.153 349 E HA -0.184 4.232 4.350 0.110 0.000 0.194 349 E C 1.666 178.296 176.600 0.051 0.000 0.988 349 E CA 1.098 57.533 56.400 0.059 0.000 0.811 349 E CB 0.056 29.795 29.700 0.064 0.000 0.746 349 E HN 0.349 nan 8.360 nan 0.000 0.466 350 R N -0.366 120.170 120.500 0.060 0.000 2.334 350 R HA 0.118 4.524 4.340 0.110 0.000 0.220 350 R C 1.024 177.336 176.300 0.020 0.000 0.917 350 R CA 0.437 56.559 56.100 0.037 0.000 1.073 350 R CB 0.485 30.806 30.300 0.034 0.000 1.056 350 R HN 0.193 nan 8.270 nan 0.000 0.506 351 G N 1.398 110.214 108.800 0.027 0.000 2.179 351 G HA2 -0.329 3.697 3.960 0.110 0.000 0.257 351 G HA3 -0.329 3.697 3.960 0.110 0.000 0.257 351 G C 0.162 175.069 174.900 0.010 0.000 1.010 351 G CA 0.321 45.431 45.100 0.017 0.000 0.736 351 G HN 0.212 nan 8.290 nan 0.000 0.513 352 M N -0.057 119.553 119.600 0.017 0.000 2.283 352 M HA 0.359 4.906 4.480 0.110 0.000 0.314 352 M C 0.836 177.149 176.300 0.023 0.000 1.153 352 M CA -0.373 54.929 55.300 0.004 0.000 1.084 352 M CB 0.673 33.270 32.600 -0.006 0.000 1.468 352 M HN 0.193 nan 8.290 nan 0.000 0.474 353 E N 1.344 121.552 120.200 0.013 0.000 2.413 353 E HA 0.125 4.541 4.350 0.110 0.000 0.263 353 E C -0.982 175.642 176.600 0.040 0.000 1.015 353 E CA 0.038 56.451 56.400 0.022 0.000 0.916 353 E CB 0.582 30.289 29.700 0.011 0.000 0.947 353 E HN 0.407 nan 8.360 nan 0.000 0.440 354 I N 2.946 123.543 120.570 0.045 0.000 2.352 354 I HA 0.027 4.263 4.170 0.110 0.000 0.290 354 I C 0.406 176.547 176.117 0.040 0.000 1.036 354 I CA -0.222 61.111 61.300 0.056 0.000 1.336 354 I CB 1.112 39.151 38.000 0.066 0.000 1.407 354 I HN 0.382 nan 8.210 nan 0.000 0.497 355 S N 7.624 123.340 115.700 0.026 0.000 2.573 355 S HA 0.117 4.653 4.470 0.110 0.000 0.277 355 S C -2.188 172.406 174.600 -0.009 0.000 1.346 355 S CA -0.784 57.410 58.200 -0.010 0.000 1.034 355 S CB 0.068 63.231 63.200 -0.061 0.000 0.879 355 S HN 0.416 nan 8.310 nan 0.000 0.528 356 P HA 0.066 nan 4.420 nan 0.000 0.260 356 P C 0.212 177.534 177.300 0.037 0.000 1.185 356 P CA 0.688 63.797 63.100 0.015 0.000 0.763 356 P CB -0.108 31.596 31.700 0.007 0.000 0.776 357 M N 0.133 119.790 119.600 0.095 0.000 2.943 357 M HA -0.234 4.312 4.480 0.110 0.000 0.198 357 M C 0.103 176.546 176.300 0.237 0.000 0.606 357 M CA 0.531 55.932 55.300 0.167 0.000 0.744 357 M CB -2.729 29.982 32.600 0.185 0.000 2.671 357 M HN 0.327 nan 8.290 nan 0.000 0.342 358 C N 0.140 119.545 119.300 0.174 0.000 3.038 358 C HA 0.202 4.728 4.460 0.110 0.000 0.279 358 C C 0.911 176.094 174.990 0.322 0.000 1.276 358 C CA -0.160 58.989 59.018 0.218 0.000 1.697 358 C CB -0.286 27.464 27.740 0.016 0.000 2.032 358 C HN 0.447 nan 8.230 nan 0.000 0.636 359 D N 1.755 122.302 120.400 0.246 0.000 2.380 359 D HA 0.082 4.788 4.640 0.110 0.000 0.230 359 D C 1.172 177.427 176.300 -0.075 0.000 1.154 359 D CA -0.023 54.035 54.000 0.095 0.000 0.859 359 D CB 0.730 41.581 40.800 0.086 0.000 1.045 359 D HN 0.487 nan 8.370 nan 0.000 0.495 360 K N 3.018 123.098 120.400 -0.533 0.000 2.574 360 K HA -0.090 4.296 4.320 0.110 0.000 0.193 360 K C 0.312 176.483 176.600 -0.716 0.000 1.035 360 K CA 0.828 56.404 56.287 -1.184 0.000 0.982 360 K CB 0.065 31.694 32.500 -1.452 0.000 0.795 360 K HN 0.398 nan 8.250 nan 0.000 0.491 361 H N 0.435 119.393 119.070 -0.188 0.000 2.586 361 H HA 0.218 4.840 4.556 0.111 0.000 0.273 361 H C -0.079 175.219 175.328 -0.051 0.000 0.997 361 H CA -0.052 55.933 56.048 -0.105 0.000 1.177 361 H CB 0.617 30.337 29.762 -0.070 0.000 1.471 361 H HN 0.256 nan 8.280 nan 0.000 0.538 362 N N 0.681 119.408 118.700 0.044 0.000 2.636 362 N HA 0.240 5.046 4.740 0.110 0.000 0.287 362 N C -0.625 174.934 175.510 0.080 0.000 1.817 362 N CA -0.017 53.070 53.050 0.063 0.000 0.842 362 N CB 1.359 39.889 38.487 0.071 0.000 1.353 362 N HN 0.090 nan 8.380 nan 0.000 0.500 363 A N 0.002 122.872 122.820 0.082 0.000 2.293 363 A HA 0.721 5.107 4.320 0.110 0.000 0.302 363 A C 0.340 178.003 177.584 0.130 0.000 1.119 363 A CA -0.226 51.916 52.037 0.175 0.000 0.823 363 A CB 0.709 19.900 19.000 0.318 0.000 1.097 363 A HN 0.088 nan 8.150 nan 0.000 0.491 364 S N 1.394 117.171 115.700 0.128 0.000 2.300 364 S HA 0.194 4.730 4.470 0.110 0.000 0.172 364 S C 1.010 175.656 174.600 0.076 0.000 1.484 364 S CA -0.445 57.808 58.200 0.088 0.000 1.265 364 S CB 0.526 63.766 63.200 0.067 0.000 1.313 364 S HN 0.511 nan 8.310 nan 0.000 0.387 365 V N 1.613 121.584 119.914 0.094 0.000 2.250 365 V HA -0.273 3.913 4.120 0.110 0.000 0.250 365 V C 2.274 178.376 176.094 0.012 0.000 1.060 365 V CA 2.142 64.466 62.300 0.041 0.000 1.030 365 V CB -0.487 31.387 31.823 0.085 0.000 0.643 365 V HN 0.513 nan 8.190 nan 0.000 0.445 366 E N 0.124 120.379 120.200 0.093 0.000 2.031 366 E HA -0.215 4.201 4.350 0.110 0.000 0.193 366 E C 2.223 178.869 176.600 0.076 0.000 0.994 366 E CA 1.427 57.917 56.400 0.150 0.000 0.800 366 E CB -0.396 29.412 29.700 0.181 0.000 0.752 366 E HN 0.535 nan 8.360 nan 0.000 0.447 367 K N 0.275 120.717 120.400 0.069 0.000 2.211 367 K HA -0.088 4.298 4.320 0.110 0.000 0.204 367 K C 2.008 178.646 176.600 0.062 0.000 1.047 367 K CA 1.317 57.645 56.287 0.068 0.000 0.935 367 K CB -0.004 32.532 32.500 0.059 0.000 0.728 367 K HN -0.003 nan 8.250 nan 0.000 0.452 368 S N 0.516 116.236 115.700 0.033 0.000 2.387 368 S HA -0.064 4.472 4.470 0.110 0.000 0.226 368 S C 1.710 176.335 174.600 0.041 0.000 1.026 368 S CA 0.629 58.845 58.200 0.028 0.000 0.972 368 S CB -0.037 63.155 63.200 -0.014 0.000 0.814 368 S HN 0.315 nan 8.310 nan 0.000 0.477 369 Q N 0.870 120.638 119.800 -0.053 0.000 2.119 369 Q HA 0.001 4.407 4.340 0.110 0.000 0.201 369 Q C 2.373 178.439 176.000 0.109 0.000 0.972 369 Q CA 0.977 56.746 55.803 -0.057 0.000 0.847 369 Q CB -0.721 27.657 28.738 -0.600 0.000 0.903 369 Q HN 0.418 nan 8.270 nan 0.000 0.433 370 V N 0.054 120.027 119.914 0.099 0.000 2.427 370 V HA -0.156 4.030 4.120 0.110 0.000 0.248 370 V C 2.260 178.477 176.094 0.205 0.000 1.051 370 V CA 1.850 64.246 62.300 0.160 0.000 1.048 370 V CB -1.063 30.849 31.823 0.150 0.000 0.666 370 V HN 0.408 nan 8.190 nan 0.000 0.456 371 G N -0.886 108.050 108.800 0.226 0.000 2.408 371 G HA2 -0.268 3.758 3.960 0.110 0.000 0.217 371 G HA3 -0.268 3.758 3.960 0.110 0.000 0.217 371 G C 1.514 176.655 174.900 0.402 0.000 1.150 371 G CA 0.754 46.049 45.100 0.326 0.000 0.776 371 G HN 0.459 nan 8.290 nan 0.000 0.542 372 F N 1.561 121.589 119.950 0.130 0.000 2.102 372 F HA 0.061 4.655 4.527 0.111 0.000 0.298 372 F C 2.390 178.264 175.800 0.123 0.000 1.105 372 F CA 0.741 58.801 58.000 0.099 0.000 1.239 372 F CB -0.326 38.690 39.000 0.028 0.000 0.991 372 F HN 0.101 nan 8.300 nan 0.000 0.474 373 I N 0.069 120.664 120.570 0.041 0.000 2.163 373 I HA -0.291 3.945 4.170 0.110 0.000 0.240 373 I C 2.156 178.280 176.117 0.012 0.000 1.081 373 I CA 1.561 62.825 61.300 -0.061 0.000 1.353 373 I CB -0.617 37.415 38.000 0.053 0.000 1.054 373 I HN 0.046 nan 8.210 nan 0.000 0.407 374 D N 0.377 120.808 120.400 0.052 0.000 2.104 374 D HA -0.204 4.502 4.640 0.110 0.000 0.194 374 D C 1.870 178.022 176.300 -0.248 0.000 0.994 374 D CA 1.851 55.781 54.000 -0.116 0.000 0.830 374 D CB -0.272 40.433 40.800 -0.157 0.000 0.959 374 D HN 0.395 nan 8.370 nan 0.000 0.452 375 Y N -0.744 119.598 120.300 0.069 0.000 2.462 375 Y HA 0.312 4.928 4.550 0.110 0.000 0.261 375 Y C 1.926 177.884 175.900 0.096 0.000 1.146 375 Y CA 0.034 58.189 58.100 0.091 0.000 1.283 375 Y CB 0.546 39.067 38.460 0.101 0.000 1.090 375 Y HN -0.038 nan 8.280 nan 0.000 0.526 376 I N -3.091 117.548 120.570 0.114 0.000 3.859 376 I HA -0.066 4.170 4.170 0.110 0.000 0.266 376 I C 1.554 177.614 176.117 -0.095 0.000 1.132 376 I CA 0.232 61.533 61.300 0.002 0.000 1.361 376 I CB -0.001 37.933 38.000 -0.110 0.000 1.690 376 I HN -0.273 nan 8.210 nan 0.000 0.424 377 V N 1.455 121.183 119.914 -0.310 0.000 2.427 377 V HA -0.259 3.927 4.120 0.110 0.000 0.248 377 V C 2.376 178.497 176.094 0.045 0.000 1.051 377 V CA 2.075 64.244 62.300 -0.219 0.000 1.048 377 V CB -0.913 30.626 31.823 -0.472 0.000 0.666 377 V HN 0.475 nan 8.190 nan 0.000 0.456 378 H N 0.800 119.850 119.070 -0.034 0.000 2.307 378 H HA -0.060 4.562 4.556 0.110 0.000 0.303 378 H C -0.081 175.290 175.328 0.071 0.000 1.073 378 H CA 1.918 57.983 56.048 0.028 0.000 1.338 378 H CB -0.883 28.867 29.762 -0.020 0.000 1.389 378 H HN 0.316 nan 8.280 nan 0.000 0.503 379 P HA -0.145 nan 4.420 nan 0.000 0.218 379 P C 1.838 179.181 177.300 0.071 0.000 1.148 379 P CA 0.839 64.010 63.100 0.119 0.000 0.822 379 P CB -0.106 31.678 31.700 0.140 0.000 0.784 380 L N -1.716 119.560 121.223 0.089 0.000 1.988 380 L HA -0.020 4.386 4.340 0.110 0.000 0.207 380 L C 2.039 178.877 176.870 -0.052 0.000 1.071 380 L CA 1.779 56.638 54.840 0.032 0.000 0.744 380 L CB -1.499 40.571 42.059 0.018 0.000 0.893 380 L HN -0.065 nan 8.230 nan 0.000 0.433 381 W N 0.518 121.765 121.300 -0.088 0.000 2.392 381 W HA -0.145 4.580 4.660 0.109 0.000 0.279 381 W C 2.633 179.086 176.519 -0.110 0.000 1.225 381 W CA 1.516 58.805 57.345 -0.093 0.000 1.233 381 W CB -0.114 29.241 29.460 -0.175 0.000 1.122 381 W HN 0.373 nan 8.180 nan 0.000 0.561 382 E N -0.420 119.768 120.200 -0.021 0.000 2.077 382 E HA -0.201 4.215 4.350 0.110 0.000 0.193 382 E C 1.798 178.400 176.600 0.003 0.000 0.989 382 E CA 2.054 58.400 56.400 -0.090 0.000 0.800 382 E CB -0.174 29.436 29.700 -0.150 0.000 0.746 382 E HN 0.084 nan 8.360 nan 0.000 0.452 383 T N 0.588 115.155 114.554 0.022 0.000 2.857 383 T HA -0.141 4.275 4.350 0.110 0.000 0.266 383 T C 1.209 175.927 174.700 0.030 0.000 1.048 383 T CA 0.925 63.038 62.100 0.022 0.000 1.139 383 T CB -0.419 68.464 68.868 0.024 0.000 0.874 383 T HN 0.420 nan 8.240 nan 0.000 0.455 384 W N 2.185 123.392 121.300 -0.155 0.000 2.354 384 W HA -0.127 4.600 4.660 0.113 0.000 0.315 384 W C 2.470 178.921 176.519 -0.113 0.000 1.206 384 W CA 1.313 58.540 57.345 -0.197 0.000 1.290 384 W CB -0.491 28.713 29.460 -0.427 0.000 1.152 384 W HN 0.276 nan 8.180 nan 0.000 0.489 385 A N 0.081 122.933 122.820 0.053 0.000 2.070 385 A HA -0.254 4.132 4.320 0.110 0.000 0.220 385 A C 1.353 178.860 177.584 -0.129 0.000 1.159 385 A CA 2.071 54.074 52.037 -0.057 0.000 0.656 385 A CB -1.010 18.000 19.000 0.018 0.000 0.800 385 A HN 0.359 nan 8.150 nan 0.000 0.453 386 D N -1.814 118.542 120.400 -0.074 0.000 2.325 386 D HA 0.188 4.894 4.640 0.110 0.000 0.234 386 D C 0.888 177.137 176.300 -0.085 0.000 1.122 386 D CA 0.243 54.232 54.000 -0.018 0.000 0.850 386 D CB 0.146 40.948 40.800 0.003 0.000 0.921 386 D HN 0.269 nan 8.370 nan 0.000 0.513 387 L N -0.605 120.485 121.223 -0.221 0.000 3.066 387 L HA 0.200 4.606 4.340 0.110 0.000 0.272 387 L C 0.854 177.490 176.870 -0.390 0.000 1.101 387 L CA 0.317 54.969 54.840 -0.314 0.000 1.022 387 L CB 0.689 42.485 42.059 -0.439 0.000 1.600 387 L HN -0.002 nan 8.230 nan 0.000 0.559 388 V N -2.304 117.330 119.914 -0.468 0.000 3.121 388 V HA 0.351 4.537 4.120 0.110 0.000 0.344 388 V C 0.796 176.787 176.094 -0.172 0.000 1.390 388 V CA -0.611 61.462 62.300 -0.378 0.000 1.177 388 V CB -1.218 30.300 31.823 -0.508 0.000 1.163 388 V HN 0.299 nan 8.190 nan 0.000 0.484 389 H N 4.568 123.520 119.070 -0.196 0.000 3.195 389 H HA 0.098 4.720 4.556 0.110 0.000 0.302 389 H C -1.760 173.508 175.328 -0.100 0.000 0.950 389 H CA 0.267 56.241 56.048 -0.124 0.000 1.398 389 H CB 1.609 31.308 29.762 -0.105 0.000 1.377 389 H HN 0.413 nan 8.280 nan 0.000 0.572 390 P HA 0.104 nan 4.420 nan 0.000 0.288 390 P C 0.455 177.656 177.300 -0.166 0.000 1.682 390 P CA -0.166 62.776 63.100 -0.263 0.000 1.270 390 P CB 0.422 32.036 31.700 -0.143 0.000 1.596 391 D N 1.921 122.256 120.400 -0.108 0.000 2.149 391 D HA -0.136 4.570 4.640 0.110 0.000 0.198 391 D C 1.463 177.711 176.300 -0.086 0.000 0.990 391 D CA 1.302 55.256 54.000 -0.077 0.000 0.839 391 D CB -0.100 40.669 40.800 -0.052 0.000 0.948 391 D HN 0.149 nan 8.370 nan 0.000 0.460 392 A N -0.395 122.371 122.820 -0.089 0.000 2.532 392 A HA 0.187 4.573 4.320 0.110 0.000 0.273 392 A C 1.585 179.100 177.584 -0.114 0.000 1.342 392 A CA -0.086 51.914 52.037 -0.061 0.000 0.929 392 A CB -0.110 18.981 19.000 0.153 0.000 1.051 392 A HN 0.129 nan 8.150 nan 0.000 0.521 393 Q N 0.898 120.609 119.800 -0.148 0.000 2.046 393 Q HA -0.158 4.248 4.340 0.110 0.000 0.200 393 Q C 1.161 177.087 176.000 -0.122 0.000 0.975 393 Q CA 2.276 57.992 55.803 -0.146 0.000 0.836 393 Q CB -0.152 28.495 28.738 -0.151 0.000 0.896 393 Q HN 0.646 nan 8.270 nan 0.000 0.428 394 D N -0.196 120.132 120.400 -0.121 0.000 2.144 394 D HA -0.145 4.561 4.640 0.110 0.000 0.199 394 D C 1.900 178.108 176.300 -0.154 0.000 0.984 394 D CA 1.294 55.230 54.000 -0.106 0.000 0.834 394 D CB -0.007 40.743 40.800 -0.082 0.000 0.955 394 D HN 0.382 nan 8.370 nan 0.000 0.465 395 I N 0.958 121.369 120.570 -0.266 0.000 2.163 395 I HA -0.220 4.016 4.170 0.110 0.000 0.240 395 I C 2.694 178.609 176.117 -0.337 0.000 1.081 395 I CA 0.583 61.623 61.300 -0.432 0.000 1.353 395 I CB -0.240 37.291 38.000 -0.782 0.000 1.054 395 I HN -0.024 nan 8.210 nan 0.000 0.407 396 L N 0.657 121.741 121.223 -0.233 0.000 2.043 396 L HA -0.293 4.113 4.340 0.110 0.000 0.212 396 L C 2.159 178.978 176.870 -0.085 0.000 1.075 396 L CA 1.726 56.477 54.840 -0.149 0.000 0.752 396 L CB -0.443 41.567 42.059 -0.082 0.000 0.891 396 L HN 0.334 nan 8.230 nan 0.000 0.432 397 D N -1.086 119.272 120.400 -0.070 0.000 2.144 397 D HA -0.151 4.555 4.640 0.110 0.000 0.200 397 D C 2.043 178.333 176.300 -0.017 0.000 0.978 397 D CA 1.780 55.766 54.000 -0.024 0.000 0.833 397 D CB -0.135 40.652 40.800 -0.022 0.000 0.961 397 D HN 0.368 nan 8.370 nan 0.000 0.470 398 T N 1.750 116.274 114.554 -0.050 0.000 2.746 398 T HA -0.149 4.267 4.350 0.110 0.000 0.267 398 T C 1.974 176.659 174.700 -0.026 0.000 1.039 398 T CA 0.507 62.591 62.100 -0.027 0.000 1.142 398 T CB -0.337 68.509 68.868 -0.036 0.000 0.866 398 T HN 0.031 nan 8.240 nan 0.000 0.444 399 L N 1.586 122.753 121.223 -0.093 0.000 1.989 399 L HA -0.114 4.292 4.340 0.110 0.000 0.211 399 L C 2.288 179.184 176.870 0.043 0.000 1.071 399 L CA 1.878 56.664 54.840 -0.090 0.000 0.749 399 L CB -0.711 41.250 42.059 -0.164 0.000 0.890 399 L HN 0.271 nan 8.230 nan 0.000 0.431 400 E N -0.731 119.514 120.200 0.074 0.000 2.153 400 E HA -0.216 4.200 4.350 0.110 0.000 0.194 400 E C 1.760 178.423 176.600 0.105 0.000 0.988 400 E CA 1.205 57.667 56.400 0.104 0.000 0.811 400 E CB -0.156 29.605 29.700 0.101 0.000 0.746 400 E HN 0.585 nan 8.360 nan 0.000 0.466 401 D N 0.540 120.998 120.400 0.096 0.000 2.084 401 D HA -0.106 4.600 4.640 0.110 0.000 0.196 401 D C 1.685 178.102 176.300 0.196 0.000 0.985 401 D CA 0.717 54.789 54.000 0.120 0.000 0.826 401 D CB -0.368 40.486 40.800 0.089 0.000 0.978 401 D HN 0.051 nan 8.370 nan 0.000 0.456 402 N N 0.850 119.675 118.700 0.209 0.000 2.149 402 N HA -0.166 4.640 4.740 0.110 0.000 0.188 402 N C 1.780 177.583 175.510 0.488 0.000 1.019 402 N CA 0.540 53.809 53.050 0.364 0.000 0.857 402 N CB -0.219 38.498 38.487 0.382 0.000 0.997 402 N HN 0.263 nan 8.380 nan 0.000 0.426 403 R N 1.259 121.963 120.500 0.340 0.000 2.073 403 R HA -0.110 4.296 4.340 0.110 0.000 0.234 403 R C 1.404 177.877 176.300 0.288 0.000 1.134 403 R CA 1.220 57.510 56.100 0.316 0.000 0.952 403 R CB 0.057 30.461 30.300 0.174 0.000 0.850 403 R HN 0.094 nan 8.270 nan 0.000 0.433 404 E N -0.060 120.271 120.200 0.218 0.000 2.085 404 E HA -0.237 4.180 4.350 0.110 0.000 0.194 404 E C 1.493 178.195 176.600 0.171 0.000 0.994 404 E CA 1.218 57.714 56.400 0.159 0.000 0.801 404 E CB -0.547 29.225 29.700 0.121 0.000 0.743 404 E HN 0.496 nan 8.360 nan 0.000 0.453 405 W N 0.665 122.011 121.300 0.076 0.000 2.333 405 W HA -0.277 4.449 4.660 0.110 0.000 0.316 405 W C 2.091 178.597 176.519 -0.020 0.000 1.215 405 W CA 1.758 59.105 57.345 0.004 0.000 1.278 405 W CB -0.663 28.773 29.460 -0.040 0.000 1.154 405 W HN 0.072 nan 8.180 nan 0.000 0.486 406 Y N 0.576 121.039 120.300 0.272 0.000 2.181 406 Y HA -0.303 4.313 4.550 0.111 0.000 0.288 406 Y C 2.710 178.558 175.900 -0.087 0.000 1.146 406 Y CA 2.366 60.507 58.100 0.069 0.000 1.164 406 Y CB -1.241 37.367 38.460 0.246 0.000 0.982 406 Y HN 0.094 nan 8.280 nan 0.000 0.515 407 Q N 0.454 120.342 119.800 0.145 0.000 2.135 407 Q HA -0.188 4.218 4.340 0.110 0.000 0.204 407 Q C 2.147 178.118 176.000 -0.049 0.000 0.981 407 Q CA 2.239 58.078 55.803 0.060 0.000 0.856 407 Q CB -0.508 28.271 28.738 0.069 0.000 0.902 407 Q HN 0.411 nan 8.270 nan 0.000 0.425 408 S N -2.332 113.275 115.700 -0.155 0.000 2.522 408 S HA -0.012 4.524 4.470 0.110 0.000 0.227 408 S C 1.408 175.834 174.600 -0.290 0.000 0.986 408 S CA 0.891 58.961 58.200 -0.217 0.000 0.929 408 S CB -0.143 62.896 63.200 -0.267 0.000 0.769 408 S HN 0.357 nan 8.310 nan 0.000 0.529 409 T N 1.875 116.215 114.554 -0.357 0.000 3.086 409 T HA 0.396 4.812 4.350 0.110 0.000 0.250 409 T C 0.422 175.046 174.700 -0.127 0.000 1.074 409 T CA -0.210 61.691 62.100 -0.331 0.000 0.988 409 T CB -0.250 68.294 68.868 -0.540 0.000 0.988 409 T HN 0.413 nan 8.240 nan 0.000 0.530 410 I N 4.884 125.412 120.570 -0.069 0.000 2.406 410 I HA 0.146 4.382 4.170 0.110 0.000 0.293 410 I C -1.608 174.497 176.117 -0.020 0.000 1.101 410 I CA -1.968 59.326 61.300 -0.011 0.000 1.334 410 I CB 0.379 38.389 38.000 0.016 0.000 1.421 410 I HN 0.030 nan 8.210 nan 0.000 0.513 411 P HA -0.072 nan 4.420 nan 0.000 0.270 411 P C -0.177 177.121 177.300 -0.004 0.000 1.221 411 P CA -0.004 63.089 63.100 -0.011 0.000 0.788 411 P CB 0.676 32.375 31.700 -0.001 0.000 0.904 412 Q N 0.000 119.797 119.800 -0.005 0.000 2.315 412 Q HA 0.000 4.406 4.340 0.110 0.000 0.214 412 Q CA 0.000 55.802 55.803 -0.001 0.000 1.022 412 Q CB 0.000 28.741 28.738 0.006 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481