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 2qyn_1_A 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 YQSTIP 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 0.000 174.696 174.700 -0.007 0.000 1.109 86 T CA 0.000 62.097 62.100 -0.005 0.000 1.349 86 T CB 0.000 68.866 68.868 -0.004 0.000 0.612 87 E N 1.705 121.900 120.200 -0.009 0.000 2.072 87 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 87 E C 2.030 178.623 176.600 -0.013 0.000 0.982 87 E CA 1.001 57.395 56.400 -0.010 0.000 0.803 87 E CB 0.083 29.776 29.700 -0.011 0.000 0.755 87 E HN 0.490 nan 8.360 nan 0.000 0.453 88 Q N 0.320 120.111 119.800 -0.014 0.000 2.170 88 Q HA -0.205 4.135 4.340 -0.000 0.000 0.203 88 Q C 1.656 177.647 176.000 -0.016 0.000 0.976 88 Q CA 1.492 57.285 55.803 -0.017 0.000 0.858 88 Q CB 0.117 28.845 28.738 -0.018 0.000 0.907 88 Q HN 0.357 nan 8.270 nan 0.000 0.433 89 E N 0.302 120.495 120.200 -0.012 0.000 2.106 89 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 89 E C 1.547 178.141 176.600 -0.011 0.000 0.984 89 E CA 1.134 57.528 56.400 -0.010 0.000 0.806 89 E CB 0.085 29.782 29.700 -0.006 0.000 0.750 89 E HN 0.423 nan 8.360 nan 0.000 0.458 90 D N 0.292 120.686 120.400 -0.011 0.000 2.224 90 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 90 D C 2.010 178.303 176.300 -0.013 0.000 0.965 90 D CA 0.642 54.636 54.000 -0.011 0.000 0.852 90 D CB 0.249 41.044 40.800 -0.009 0.000 0.947 90 D HN 0.046 nan 8.370 nan 0.000 0.494 91 V N 1.339 121.244 119.914 -0.016 0.000 2.453 91 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 91 V C 2.400 178.481 176.094 -0.021 0.000 1.048 91 V CA 0.813 63.101 62.300 -0.020 0.000 1.049 91 V CB -0.304 31.505 31.823 -0.024 0.000 0.672 91 V HN 0.122 nan 8.190 nan 0.000 0.457 92 L N 1.258 122.468 121.223 -0.021 0.000 2.027 92 L HA -0.022 4.317 4.340 -0.000 0.000 0.206 92 L C 2.460 179.318 176.870 -0.019 0.000 1.074 92 L CA 2.369 57.196 54.840 -0.022 0.000 0.745 92 L CB -1.021 41.026 42.059 -0.020 0.000 0.898 92 L HN 0.197 nan 8.230 nan 0.000 0.433 93 A N -0.440 122.370 122.820 -0.017 0.000 1.940 93 A HA -0.281 4.038 4.320 -0.000 0.000 0.219 93 A C 2.468 180.045 177.584 -0.012 0.000 1.176 93 A CA 2.051 54.078 52.037 -0.017 0.000 0.631 93 A CB -0.679 18.312 19.000 -0.015 0.000 0.814 93 A HN 0.551 nan 8.150 nan 0.000 0.446 94 K N -0.580 119.813 120.400 -0.010 0.000 2.026 94 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 94 K C 1.816 178.414 176.600 -0.003 0.000 1.048 94 K CA 1.527 57.810 56.287 -0.006 0.000 0.929 94 K CB -0.126 32.370 32.500 -0.008 0.000 0.713 94 K HN 0.370 nan 8.250 nan 0.000 0.439 95 E N 0.918 121.114 120.200 -0.008 0.000 2.110 95 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 95 E C 2.015 178.617 176.600 0.002 0.000 0.988 95 E CA 0.883 57.282 56.400 -0.002 0.000 0.804 95 E CB -0.145 29.547 29.700 -0.013 0.000 0.745 95 E HN 0.390 nan 8.360 nan 0.000 0.458 96 L N 0.915 122.134 121.223 -0.006 0.000 2.549 96 L HA -0.110 4.230 4.340 -0.000 0.000 0.229 96 L C 1.980 178.853 176.870 0.005 0.000 1.158 96 L CA 0.577 55.413 54.840 -0.007 0.000 0.842 96 L CB -0.253 41.794 42.059 -0.021 0.000 0.952 96 L HN 0.073 nan 8.230 nan 0.000 0.452 97 E N -0.067 120.138 120.200 0.009 0.000 2.338 97 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 97 E C 0.609 177.230 176.600 0.034 0.000 1.007 97 E CA 0.616 57.027 56.400 0.019 0.000 0.849 97 E CB 0.107 29.816 29.700 0.015 0.000 0.774 97 E HN 0.479 nan 8.360 nan 0.000 0.506 98 D N 0.312 120.733 120.400 0.036 0.000 2.336 98 D HA -0.031 4.609 4.640 -0.000 0.000 0.228 98 D C 1.476 177.816 176.300 0.067 0.000 1.120 98 D CA 0.060 54.090 54.000 0.050 0.000 0.839 98 D CB 0.685 41.513 40.800 0.046 0.000 0.932 98 D HN -0.000 nan 8.370 nan 0.000 0.509 99 V N 1.280 121.235 119.914 0.069 0.000 2.568 99 V HA -0.208 3.912 4.120 -0.000 0.000 0.253 99 V C 1.148 177.368 176.094 0.210 0.000 1.072 99 V CA 1.555 63.913 62.300 0.097 0.000 1.084 99 V CB -0.192 31.661 31.823 0.049 0.000 0.676 99 V HN 0.177 nan 8.190 nan 0.000 0.469 100 N N 0.192 119.005 118.700 0.187 0.000 2.322 100 N HA 0.116 4.856 4.740 -0.000 0.000 0.194 100 N C 0.050 175.638 175.510 0.130 0.000 1.126 100 N CA 0.209 53.365 53.050 0.176 0.000 0.845 100 N CB 0.264 38.831 38.487 0.134 0.000 0.976 100 N HN 0.586 nan 8.380 nan 0.000 0.475 101 K N -0.225 120.256 120.400 0.135 0.000 2.207 101 K HA 0.209 4.528 4.320 -0.000 0.000 0.255 101 K C -0.471 176.247 176.600 0.197 0.000 0.941 101 K CA -0.710 55.666 56.287 0.148 0.000 0.825 101 K CB 1.938 34.502 32.500 0.106 0.000 1.119 101 K HN 0.040 nan 8.250 nan 0.000 0.430 102 W N 1.706 123.004 121.300 -0.003 0.000 2.216 102 W HA 0.123 4.783 4.660 -0.000 0.000 0.326 102 W C 0.597 177.104 176.519 -0.021 0.000 1.319 102 W CA 1.396 58.728 57.345 -0.021 0.000 1.213 102 W CB 0.956 30.389 29.460 -0.045 0.000 1.171 102 W HN 0.960 nan 8.180 nan 0.000 0.557 103 G N 3.845 112.497 108.800 -0.246 0.000 2.132 103 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.234 103 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.234 103 G C -0.363 174.484 174.900 -0.088 0.000 0.989 103 G CA -0.071 44.940 45.100 -0.149 0.000 0.676 103 G HN 0.645 nan 8.290 nan 0.000 0.522 104 L N 1.091 122.264 121.223 -0.083 0.000 2.516 104 L HA 0.410 4.750 4.340 -0.000 0.000 0.288 104 L C 0.733 177.588 176.870 -0.024 0.000 1.246 104 L CA -0.251 54.574 54.840 -0.024 0.000 0.844 104 L CB 0.325 42.366 42.059 -0.030 0.000 1.106 104 L HN 0.290 nan 8.230 nan 0.000 0.509 105 H N 4.539 123.585 119.070 -0.040 0.000 2.882 105 H HA 0.111 4.666 4.556 -0.000 0.000 0.258 105 H C 0.854 176.136 175.328 -0.077 0.000 1.579 105 H CA 0.436 56.466 56.048 -0.030 0.000 1.340 105 H CB 0.731 30.493 29.762 0.001 0.000 1.645 105 H HN 0.702 nan 8.280 nan 0.000 0.541 106 V N 5.154 125.056 119.914 -0.019 0.000 2.490 106 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 106 V C 1.362 177.353 176.094 -0.171 0.000 1.061 106 V CA 1.642 63.848 62.300 -0.156 0.000 1.064 106 V CB -0.584 31.066 31.823 -0.288 0.000 0.670 106 V HN 0.465 nan 8.190 nan 0.000 0.461 107 F N 0.530 120.555 119.950 0.125 0.000 2.186 107 F HA -0.013 4.514 4.527 -0.000 0.000 0.299 107 F C 2.572 178.349 175.800 -0.038 0.000 1.090 107 F CA 1.954 59.960 58.000 0.011 0.000 1.307 107 F CB -0.671 38.326 39.000 -0.006 0.000 1.019 107 F HN 0.079 nan 8.300 nan 0.000 0.489 108 R N 0.848 121.390 120.500 0.070 0.000 2.075 108 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 108 R C 2.193 178.453 176.300 -0.067 0.000 1.126 108 R CA 1.494 57.494 56.100 -0.167 0.000 0.963 108 R CB -0.487 29.563 30.300 -0.418 0.000 0.858 108 R HN 0.273 nan 8.270 nan 0.000 0.435 109 I N 0.818 121.369 120.570 -0.031 0.000 2.286 109 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 109 I C 2.510 178.604 176.117 -0.039 0.000 1.115 109 I CA 1.151 62.429 61.300 -0.037 0.000 1.392 109 I CB -0.352 37.626 38.000 -0.037 0.000 1.065 109 I HN 0.314 nan 8.210 nan 0.000 0.418 110 A N 0.590 123.388 122.820 -0.036 0.000 1.902 110 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 110 A C 2.203 179.773 177.584 -0.022 0.000 1.181 110 A CA 1.682 53.699 52.037 -0.033 0.000 0.623 110 A CB -0.495 18.493 19.000 -0.019 0.000 0.818 110 A HN 0.450 nan 8.150 nan 0.000 0.443 111 E N -0.183 120.006 120.200 -0.018 0.000 2.046 111 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 111 E C 1.881 178.462 176.600 -0.033 0.000 0.982 111 E CA 1.035 57.419 56.400 -0.027 0.000 0.800 111 E CB -0.282 29.396 29.700 -0.037 0.000 0.756 111 E HN 0.603 nan 8.360 nan 0.000 0.449 112 L N 1.092 122.291 121.223 -0.039 0.000 2.275 112 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 112 L C 2.266 179.119 176.870 -0.028 0.000 1.119 112 L CA 0.960 55.778 54.840 -0.036 0.000 0.790 112 L CB -0.237 41.798 42.059 -0.040 0.000 0.919 112 L HN 0.145 nan 8.230 nan 0.000 0.443 113 S N -1.012 114.672 115.700 -0.028 0.000 2.577 113 S HA 0.234 4.704 4.470 -0.000 0.000 0.219 113 S C 1.311 175.897 174.600 -0.023 0.000 0.962 113 S CA 0.180 58.366 58.200 -0.024 0.000 0.921 113 S CB 0.415 63.599 63.200 -0.028 0.000 0.789 113 S HN 0.455 nan 8.310 nan 0.000 0.497 114 G N 2.119 110.905 108.800 -0.023 0.000 2.272 114 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.280 114 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.280 114 G C 0.217 175.103 174.900 -0.022 0.000 1.067 114 G CA 0.076 45.163 45.100 -0.021 0.000 0.902 114 G HN 1.032 nan 8.290 nan 0.000 0.500 115 N N -1.553 117.132 118.700 -0.024 0.000 2.754 115 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 115 N C 0.757 176.245 175.510 -0.037 0.000 1.093 115 N CA 1.508 54.542 53.050 -0.026 0.000 0.699 115 N CB -0.369 38.107 38.487 -0.018 0.000 1.016 115 N HN 0.649 nan 8.380 nan 0.000 0.552 116 R N -0.433 120.042 120.500 -0.042 0.000 2.834 116 R HA 0.263 4.603 4.340 -0.000 0.000 0.362 116 R C -1.734 174.531 176.300 -0.060 0.000 1.147 116 R CA -0.969 55.101 56.100 -0.050 0.000 1.125 116 R CB 0.608 30.885 30.300 -0.039 0.000 1.361 116 R HN 0.348 nan 8.270 nan 0.000 0.598 117 P HA -0.172 nan 4.420 nan 0.000 0.216 117 P C 1.395 178.635 177.300 -0.100 0.000 1.153 117 P CA 0.698 63.746 63.100 -0.086 0.000 0.848 117 P CB 0.425 32.061 31.700 -0.107 0.000 0.787 118 L N -0.041 121.104 121.223 -0.130 0.000 2.056 118 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 118 L C 2.319 179.132 176.870 -0.095 0.000 1.078 118 L CA 2.236 56.990 54.840 -0.142 0.000 0.749 118 L CB -1.687 40.247 42.059 -0.208 0.000 0.901 118 L HN -0.085 nan 8.230 nan 0.000 0.433 119 T N -0.705 113.799 114.554 -0.083 0.000 2.737 119 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 119 T C 1.934 176.625 174.700 -0.015 0.000 1.038 119 T CA 2.010 64.071 62.100 -0.064 0.000 1.144 119 T CB -0.519 68.310 68.868 -0.065 0.000 0.866 119 T HN 0.401 nan 8.240 nan 0.000 0.434 120 V N 0.012 119.921 119.914 -0.007 0.000 2.427 120 V HA -0.014 4.106 4.120 -0.000 0.000 0.248 120 V C 2.233 178.334 176.094 0.012 0.000 1.051 120 V CA 1.315 63.630 62.300 0.025 0.000 1.048 120 V CB -0.980 30.844 31.823 0.001 0.000 0.666 120 V HN 0.456 nan 8.190 nan 0.000 0.456 121 I N -0.686 119.872 120.570 -0.020 0.000 2.286 121 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 121 I C 2.857 178.973 176.117 -0.001 0.000 1.104 121 I CA 1.635 62.917 61.300 -0.029 0.000 1.397 121 I CB -0.261 37.706 38.000 -0.056 0.000 1.072 121 I HN 0.250 nan 8.210 nan 0.000 0.417 122 M N -0.394 119.211 119.600 0.009 0.000 2.086 122 M HA -0.259 4.221 4.480 -0.000 0.000 0.261 122 M C 2.399 178.759 176.300 0.100 0.000 1.067 122 M CA 1.827 57.157 55.300 0.050 0.000 1.116 122 M CB -1.473 31.097 32.600 -0.050 0.000 1.348 122 M HN 0.380 nan 8.290 nan 0.000 0.407 123 H N -0.582 118.445 119.070 -0.072 0.000 2.352 123 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 123 H C 1.659 177.014 175.328 0.045 0.000 1.097 123 H CA 1.792 57.814 56.048 -0.043 0.000 1.311 123 H CB 0.452 30.183 29.762 -0.051 0.000 1.377 123 H HN 0.281 nan 8.280 nan 0.000 0.504 124 T N 0.952 115.507 114.554 0.001 0.000 2.746 124 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 124 T C 2.128 176.812 174.700 -0.027 0.000 1.039 124 T CA 1.430 63.481 62.100 -0.081 0.000 1.142 124 T CB -0.153 68.672 68.868 -0.071 0.000 0.866 124 T HN 0.303 nan 8.240 nan 0.000 0.444 125 I N -0.054 120.512 120.570 -0.006 0.000 2.252 125 I HA -0.104 4.066 4.170 -0.000 0.000 0.245 125 I C 1.992 178.163 176.117 0.090 0.000 1.102 125 I CA 1.174 62.413 61.300 -0.102 0.000 1.385 125 I CB -0.320 37.566 38.000 -0.190 0.000 1.064 125 I HN 0.139 nan 8.210 nan 0.000 0.414 126 F N 1.240 121.196 119.950 0.010 0.000 2.134 126 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 126 F C 2.700 178.544 175.800 0.072 0.000 1.097 126 F CA 1.456 59.505 58.000 0.081 0.000 1.264 126 F CB -0.685 38.395 39.000 0.133 0.000 1.001 126 F HN 0.100 nan 8.300 nan 0.000 0.479 127 Q N -0.537 119.393 119.800 0.217 0.000 2.079 127 Q HA -0.231 4.109 4.340 -0.000 0.000 0.200 127 Q C 2.103 178.140 176.000 0.060 0.000 0.974 127 Q CA 1.571 57.436 55.803 0.103 0.000 0.840 127 Q CB -0.311 28.424 28.738 -0.005 0.000 0.898 127 Q HN 0.301 nan 8.270 nan 0.000 0.430 128 E N 1.290 121.515 120.200 0.042 0.000 2.085 128 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 128 E C 1.329 177.970 176.600 0.068 0.000 0.994 128 E CA 1.323 57.751 56.400 0.047 0.000 0.801 128 E CB 0.106 29.829 29.700 0.038 0.000 0.743 128 E HN 0.141 nan 8.360 nan 0.000 0.453 129 R N -0.128 120.406 120.500 0.058 0.000 2.317 129 R HA 0.064 4.404 4.340 -0.000 0.000 0.208 129 R C 0.021 176.339 176.300 0.030 0.000 0.914 129 R CA 0.633 56.764 56.100 0.051 0.000 1.060 129 R CB 0.155 30.474 30.300 0.031 0.000 1.015 129 R HN 0.113 nan 8.270 nan 0.000 0.498 130 D N 0.120 120.546 120.400 0.043 0.000 2.837 130 D HA -0.184 4.456 4.640 -0.000 0.000 0.230 130 D C 0.430 176.755 176.300 0.042 0.000 1.152 130 D CA 0.453 54.479 54.000 0.043 0.000 0.736 130 D CB -0.994 39.818 40.800 0.021 0.000 1.084 130 D HN 0.261 nan 8.370 nan 0.000 0.429 131 L N -0.725 120.529 121.223 0.051 0.000 2.217 131 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 131 L C 2.337 179.350 176.870 0.238 0.000 1.107 131 L CA 0.518 55.414 54.840 0.093 0.000 0.783 131 L CB -0.240 41.687 42.059 -0.220 0.000 0.919 131 L HN 0.204 nan 8.230 nan 0.000 0.442 132 L N -0.291 121.084 121.223 0.252 0.000 2.056 132 L HA -0.186 4.153 4.340 -0.000 0.000 0.207 132 L C 2.530 179.490 176.870 0.149 0.000 1.078 132 L CA 1.673 56.660 54.840 0.246 0.000 0.749 132 L CB -0.522 41.669 42.059 0.220 0.000 0.901 132 L HN 0.101 nan 8.230 nan 0.000 0.433 133 K N -1.000 119.454 120.400 0.089 0.000 2.031 133 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 133 K C 2.113 178.696 176.600 -0.028 0.000 1.049 133 K CA 1.688 57.995 56.287 0.033 0.000 0.939 133 K CB -0.427 32.083 32.500 0.016 0.000 0.717 133 K HN 0.228 nan 8.250 nan 0.000 0.438 134 T N 0.776 115.270 114.554 -0.099 0.000 2.720 134 T HA -0.125 4.224 4.350 -0.000 0.000 0.268 134 T C 1.075 175.483 174.700 -0.486 0.000 1.037 134 T CA 1.382 63.280 62.100 -0.337 0.000 1.144 134 T CB -0.158 68.410 68.868 -0.500 0.000 0.864 134 T HN 0.083 nan 8.240 nan 0.000 0.444 135 F N 0.885 120.868 119.950 0.055 0.000 2.639 135 F HA 0.395 4.922 4.527 -0.000 0.000 0.302 135 F C 0.716 176.558 175.800 0.071 0.000 1.097 135 F CA -0.724 57.318 58.000 0.071 0.000 1.294 135 F CB -0.294 38.770 39.000 0.106 0.000 1.027 135 F HN -0.078 nan 8.300 nan 0.000 0.550 136 K N 1.234 121.723 120.400 0.149 0.000 3.278 136 K HA -0.212 4.108 4.320 -0.000 0.000 0.270 136 K C -0.450 176.226 176.600 0.125 0.000 0.955 136 K CA 0.351 56.705 56.287 0.111 0.000 0.723 136 K CB -1.832 30.717 32.500 0.081 0.000 1.382 136 K HN 0.353 nan 8.250 nan 0.000 0.461 137 I N 1.310 121.971 120.570 0.152 0.000 2.312 137 I HA 0.163 4.333 4.170 -0.000 0.000 0.291 137 I C -1.914 174.244 176.117 0.068 0.000 1.031 137 I CA -2.452 58.915 61.300 0.111 0.000 1.293 137 I CB 0.750 38.846 38.000 0.159 0.000 1.403 137 I HN -0.113 nan 8.210 nan 0.000 0.484 138 P HA -0.030 nan 4.420 nan 0.000 0.267 138 P C 0.896 178.192 177.300 -0.007 0.000 1.205 138 P CA 0.040 63.149 63.100 0.014 0.000 0.765 138 P CB 1.095 32.795 31.700 0.001 0.000 0.828 139 V N 3.769 123.683 119.914 -0.000 0.000 2.332 139 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 139 V C 1.708 177.746 176.094 -0.093 0.000 1.055 139 V CA 2.722 64.999 62.300 -0.039 0.000 1.038 139 V CB -0.829 30.996 31.823 0.003 0.000 0.651 139 V HN 0.667 nan 8.190 nan 0.000 0.450 140 D N -1.504 118.863 120.400 -0.056 0.000 2.144 140 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 140 D C 1.952 178.215 176.300 -0.062 0.000 0.984 140 D CA 1.899 55.864 54.000 -0.059 0.000 0.834 140 D CB -0.919 39.862 40.800 -0.031 0.000 0.955 140 D HN 0.485 nan 8.370 nan 0.000 0.465 141 T N 0.922 115.444 114.554 -0.053 0.000 2.777 141 T HA -0.085 4.264 4.350 -0.000 0.000 0.266 141 T C 1.894 176.554 174.700 -0.068 0.000 1.040 141 T CA 0.939 63.009 62.100 -0.050 0.000 1.141 141 T CB -0.360 68.476 68.868 -0.053 0.000 0.868 141 T HN 0.080 nan 8.240 nan 0.000 0.444 142 L N 1.346 122.501 121.223 -0.113 0.000 2.017 142 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 142 L C 2.062 178.837 176.870 -0.159 0.000 1.073 142 L CA 1.624 56.364 54.840 -0.167 0.000 0.745 142 L CB -0.703 41.214 42.059 -0.237 0.000 0.894 142 L HN 0.143 nan 8.230 nan 0.000 0.432 143 I N -0.612 119.837 120.570 -0.201 0.000 2.286 143 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 143 I C 2.352 178.405 176.117 -0.107 0.000 1.115 143 I CA 1.591 62.777 61.300 -0.191 0.000 1.392 143 I CB -1.953 35.925 38.000 -0.204 0.000 1.065 143 I HN 0.315 nan 8.210 nan 0.000 0.418 144 T N 0.274 114.787 114.554 -0.067 0.000 2.777 144 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 144 T C 1.879 176.564 174.700 -0.025 0.000 1.040 144 T CA 1.391 63.469 62.100 -0.036 0.000 1.141 144 T CB -0.496 68.364 68.868 -0.014 0.000 0.868 144 T HN 0.315 nan 8.240 nan 0.000 0.444 145 Y N 1.782 122.020 120.300 -0.103 0.000 2.163 145 Y HA -0.029 4.521 4.550 -0.000 0.000 0.288 145 Y C 2.001 177.852 175.900 -0.081 0.000 1.136 145 Y CA 1.035 59.080 58.100 -0.091 0.000 1.147 145 Y CB -0.555 37.831 38.460 -0.123 0.000 0.987 145 Y HN 0.103 nan 8.280 nan 0.000 0.509 146 L N -0.494 120.641 121.223 -0.146 0.000 2.042 146 L HA -0.301 4.039 4.340 -0.000 0.000 0.210 146 L C 2.531 179.280 176.870 -0.201 0.000 1.076 146 L CA 1.832 56.552 54.840 -0.200 0.000 0.749 146 L CB -0.554 41.426 42.059 -0.131 0.000 0.893 146 L HN 0.341 nan 8.230 nan 0.000 0.432 147 M N -1.182 118.329 119.600 -0.147 0.000 2.175 147 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 147 M C 2.248 178.489 176.300 -0.098 0.000 1.063 147 M CA 1.746 56.984 55.300 -0.103 0.000 1.119 147 M CB -0.625 31.931 32.600 -0.073 0.000 1.377 147 M HN 0.232 nan 8.290 nan 0.000 0.415 148 T N 1.242 115.712 114.554 -0.140 0.000 2.777 148 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 148 T C 1.720 176.369 174.700 -0.086 0.000 1.040 148 T CA 1.079 63.128 62.100 -0.086 0.000 1.141 148 T CB -0.292 68.500 68.868 -0.128 0.000 0.868 148 T HN 0.241 nan 8.240 nan 0.000 0.444 149 L N 1.469 122.481 121.223 -0.353 0.000 2.017 149 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 149 L C 2.440 179.315 176.870 0.008 0.000 1.073 149 L CA 1.959 56.617 54.840 -0.304 0.000 0.745 149 L CB -0.645 41.100 42.059 -0.523 0.000 0.894 149 L HN 0.243 nan 8.230 nan 0.000 0.432 150 E N -0.777 119.415 120.200 -0.014 0.000 2.110 150 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 150 E C 1.679 178.332 176.600 0.089 0.000 0.988 150 E CA 1.485 57.920 56.400 0.058 0.000 0.804 150 E CB -0.065 29.606 29.700 -0.047 0.000 0.745 150 E HN 0.545 nan 8.360 nan 0.000 0.458 151 D N -0.451 119.968 120.400 0.032 0.000 2.218 151 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 151 D C 1.129 177.353 176.300 -0.127 0.000 0.976 151 D CA 1.040 55.019 54.000 -0.035 0.000 0.853 151 D CB -0.225 40.543 40.800 -0.054 0.000 0.939 151 D HN 0.383 nan 8.370 nan 0.000 0.481 152 H N -1.697 117.312 119.070 -0.101 0.000 2.547 152 H HA 0.119 4.675 4.556 -0.000 0.000 0.266 152 H C -0.276 174.875 175.328 -0.296 0.000 0.988 152 H CA 0.059 55.989 56.048 -0.197 0.000 1.147 152 H CB -0.176 29.462 29.762 -0.206 0.000 1.365 152 H HN 0.129 nan 8.280 nan 0.000 0.589 153 Y N 0.441 120.678 120.300 -0.104 0.000 2.320 153 Y HA 0.135 4.685 4.550 -0.000 0.000 0.324 153 Y C 0.612 176.433 175.900 -0.131 0.000 1.190 153 Y CA -0.639 57.414 58.100 -0.079 0.000 1.215 153 Y CB 0.661 39.097 38.460 -0.040 0.000 1.221 153 Y HN 0.224 nan 8.280 nan 0.000 0.486 154 H N 2.540 121.719 119.070 0.182 0.000 2.800 154 H HA 0.181 4.737 4.556 -0.000 0.000 0.291 154 H C 0.463 175.858 175.328 0.110 0.000 1.076 154 H CA 0.313 56.432 56.048 0.119 0.000 1.452 154 H CB 1.479 31.311 29.762 0.116 0.000 1.461 154 H HN 0.927 nan 8.280 nan 0.000 0.488 155 A N 3.374 126.299 122.820 0.176 0.000 2.168 155 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 155 A C 1.291 178.940 177.584 0.108 0.000 1.152 155 A CA 1.080 53.184 52.037 0.113 0.000 0.716 155 A CB -0.047 18.992 19.000 0.065 0.000 0.794 155 A HN 0.665 nan 8.150 nan 0.000 0.465 156 D N -0.904 119.577 120.400 0.136 0.000 2.368 156 D HA 0.194 4.834 4.640 -0.000 0.000 0.218 156 D C -0.142 176.202 176.300 0.074 0.000 1.112 156 D CA -0.109 53.941 54.000 0.084 0.000 0.834 156 D CB -0.279 40.557 40.800 0.060 0.000 0.953 156 D HN 0.075 nan 8.370 nan 0.000 0.505 157 V N 1.085 121.069 119.914 0.116 0.000 2.398 157 V HA 0.502 4.622 4.120 -0.000 0.000 0.286 157 V C 1.396 177.546 176.094 0.093 0.000 1.026 157 V CA -0.401 61.964 62.300 0.109 0.000 0.868 157 V CB 1.344 33.275 31.823 0.180 0.000 0.982 157 V HN 0.194 nan 8.190 nan 0.000 0.443 158 A N 3.946 126.805 122.820 0.064 0.000 1.933 158 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 158 A C 1.742 179.374 177.584 0.080 0.000 1.175 158 A CA 2.017 54.083 52.037 0.049 0.000 0.628 158 A CB -0.313 18.696 19.000 0.015 0.000 0.814 158 A HN 0.936 nan 8.150 nan 0.000 0.444 159 Y N -1.284 118.969 120.300 -0.078 0.000 2.569 159 Y HA 0.212 4.762 4.550 -0.000 0.000 0.278 159 Y C 0.874 176.625 175.900 -0.249 0.000 1.130 159 Y CA 0.459 58.461 58.100 -0.163 0.000 1.280 159 Y CB 0.212 38.420 38.460 -0.420 0.000 1.379 159 Y HN 0.353 nan 8.280 nan 0.000 0.508 160 H N 2.127 121.200 119.070 0.006 0.000 3.268 160 H HA 0.161 4.717 4.556 -0.000 0.000 0.213 160 H C -0.723 174.669 175.328 0.106 0.000 1.858 160 H CA -0.040 55.950 56.048 -0.096 0.000 1.386 160 H CB -0.976 28.500 29.762 -0.475 0.000 1.734 160 H HN 0.414 nan 8.280 nan 0.000 0.612 161 N N -0.914 117.871 118.700 0.141 0.000 3.100 161 N HA 0.033 4.773 4.740 -0.000 0.000 0.344 161 N C 1.066 176.526 175.510 -0.083 0.000 1.413 161 N CA -0.932 52.226 53.050 0.180 0.000 0.752 161 N CB 0.323 38.877 38.487 0.111 0.000 1.519 161 N HN 0.110 nan 8.380 nan 0.000 0.620 162 N N 0.152 118.742 118.700 -0.183 0.000 2.289 162 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 162 N C 1.149 176.460 175.510 -0.332 0.000 1.016 162 N CA 1.200 53.966 53.050 -0.474 0.000 0.872 162 N CB -0.482 37.864 38.487 -0.235 0.000 0.973 162 N HN 0.673 nan 8.380 nan 0.000 0.433 163 I N 0.325 120.805 120.570 -0.150 0.000 2.286 163 I HA -0.200 3.969 4.170 -0.000 0.000 0.245 163 I C 2.612 178.704 176.117 -0.043 0.000 1.104 163 I CA 1.232 62.477 61.300 -0.092 0.000 1.397 163 I CB -0.521 37.460 38.000 -0.032 0.000 1.072 163 I HN 0.166 nan 8.210 nan 0.000 0.417 164 H N 1.650 120.622 119.070 -0.163 0.000 2.353 164 H HA -0.098 4.457 4.556 -0.000 0.000 0.300 164 H C 2.165 177.307 175.328 -0.310 0.000 1.090 164 H CA 1.701 57.512 56.048 -0.395 0.000 1.327 164 H CB -0.052 29.349 29.762 -0.601 0.000 1.383 164 H HN 0.255 nan 8.280 nan 0.000 0.508 165 A N 1.064 123.590 122.820 -0.490 0.000 1.883 165 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 165 A C 2.672 180.040 177.584 -0.361 0.000 1.186 165 A CA 2.029 53.770 52.037 -0.493 0.000 0.624 165 A CB -1.484 16.997 19.000 -0.865 0.000 0.822 165 A HN 0.645 nan 8.150 nan 0.000 0.444 166 A N -0.174 122.449 122.820 -0.328 0.000 1.902 166 A HA -0.211 4.108 4.320 -0.000 0.000 0.217 166 A C 1.853 179.306 177.584 -0.219 0.000 1.181 166 A CA 2.262 54.163 52.037 -0.228 0.000 0.623 166 A CB -0.702 18.182 19.000 -0.193 0.000 0.818 166 A HN 0.568 nan 8.150 nan 0.000 0.443 167 D N -0.517 119.723 120.400 -0.267 0.000 2.117 167 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 167 D C 1.775 177.876 176.300 -0.332 0.000 0.987 167 D CA 1.568 55.395 54.000 -0.288 0.000 0.829 167 D CB -0.117 40.492 40.800 -0.319 0.000 0.961 167 D HN 0.147 nan 8.370 nan 0.000 0.460 168 V N -0.170 119.501 119.914 -0.404 0.000 2.427 168 V HA -0.178 3.941 4.120 -0.000 0.000 0.248 168 V C 2.637 178.602 176.094 -0.216 0.000 1.051 168 V CA 1.120 63.207 62.300 -0.355 0.000 1.048 168 V CB -0.309 31.228 31.823 -0.477 0.000 0.666 168 V HN 0.142 nan 8.190 nan 0.000 0.456 169 V N -0.217 119.597 119.914 -0.167 0.000 2.255 169 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 169 V C 2.548 178.634 176.094 -0.012 0.000 1.051 169 V CA 2.354 64.614 62.300 -0.067 0.000 1.018 169 V CB -0.629 31.165 31.823 -0.048 0.000 0.641 169 V HN 0.551 nan 8.190 nan 0.000 0.445 170 Q N -0.264 119.508 119.800 -0.047 0.000 2.119 170 Q HA -0.164 4.176 4.340 -0.000 0.000 0.201 170 Q C 2.377 178.403 176.000 0.043 0.000 0.972 170 Q CA 2.070 57.883 55.803 0.018 0.000 0.847 170 Q CB -0.118 28.591 28.738 -0.048 0.000 0.903 170 Q HN 0.662 nan 8.270 nan 0.000 0.433 171 S N -0.134 115.515 115.700 -0.085 0.000 2.368 171 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 171 S C 1.963 176.655 174.600 0.152 0.000 1.029 171 S CA 1.498 59.657 58.200 -0.068 0.000 0.988 171 S CB -0.308 62.727 63.200 -0.274 0.000 0.838 171 S HN 0.438 nan 8.310 nan 0.000 0.462 172 T N 0.788 115.373 114.554 0.051 0.000 2.746 172 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 172 T C 1.727 176.491 174.700 0.108 0.000 1.039 172 T CA 1.765 63.889 62.100 0.039 0.000 1.142 172 T CB -0.444 68.410 68.868 -0.023 0.000 0.866 172 T HN 0.591 nan 8.240 nan 0.000 0.444 173 H N 0.971 120.072 119.070 0.051 0.000 2.352 173 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 173 H C 1.964 177.360 175.328 0.114 0.000 1.097 173 H CA 1.592 57.682 56.048 0.071 0.000 1.311 173 H CB -0.616 29.184 29.762 0.062 0.000 1.377 173 H HN 0.156 nan 8.280 nan 0.000 0.504 174 V N 0.657 120.576 119.914 0.008 0.000 2.358 174 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 174 V C 2.760 178.900 176.094 0.076 0.000 1.047 174 V CA 1.704 64.017 62.300 0.022 0.000 1.035 174 V CB -0.620 31.398 31.823 0.325 0.000 0.658 174 V HN 0.408 nan 8.190 nan 0.000 0.452 175 L N -0.683 120.638 121.223 0.162 0.000 2.131 175 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 175 L C 2.371 179.341 176.870 0.167 0.000 1.092 175 L CA 1.400 56.332 54.840 0.153 0.000 0.759 175 L CB -0.524 41.572 42.059 0.061 0.000 0.903 175 L HN 0.314 nan 8.230 nan 0.000 0.435 176 L N -0.944 120.339 121.223 0.100 0.000 2.201 176 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 176 L C 2.212 179.145 176.870 0.105 0.000 1.105 176 L CA 0.771 55.683 54.840 0.121 0.000 0.775 176 L CB -0.232 41.874 42.059 0.078 0.000 0.913 176 L HN 0.170 nan 8.230 nan 0.000 0.440 177 S N -1.725 113.989 115.700 0.023 0.000 2.593 177 S HA -0.028 4.442 4.470 -0.000 0.000 0.217 177 S C 0.931 175.551 174.600 0.033 0.000 0.966 177 S CA 0.032 58.234 58.200 0.004 0.000 0.914 177 S CB -0.205 62.944 63.200 -0.085 0.000 0.776 177 S HN 0.329 nan 8.310 nan 0.000 0.523 178 T N 3.345 117.942 114.554 0.073 0.000 2.928 178 T HA 0.081 4.431 4.350 -0.000 0.000 0.305 178 T C -1.639 173.081 174.700 0.034 0.000 1.035 178 T CA -1.409 60.727 62.100 0.061 0.000 1.145 178 T CB 0.651 69.587 68.868 0.114 0.000 0.963 178 T HN 0.004 nan 8.240 nan 0.000 0.545 179 P HA -0.147 nan 4.420 nan 0.000 0.216 179 P C 1.192 178.482 177.300 -0.017 0.000 1.157 179 P CA 1.489 64.585 63.100 -0.006 0.000 0.880 179 P CB -0.021 31.669 31.700 -0.017 0.000 0.791 180 A N -1.517 121.284 122.820 -0.031 0.000 2.225 180 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 180 A C 1.725 179.272 177.584 -0.062 0.000 1.164 180 A CA 1.204 53.206 52.037 -0.059 0.000 0.710 180 A CB -1.242 17.701 19.000 -0.096 0.000 0.780 180 A HN 0.210 nan 8.150 nan 0.000 0.473 181 L N -0.885 120.327 121.223 -0.019 0.000 2.959 181 L HA 0.193 4.533 4.340 -0.000 0.000 0.259 181 L C 0.547 177.414 176.870 -0.006 0.000 1.185 181 L CA -0.316 54.516 54.840 -0.014 0.000 0.998 181 L CB 0.121 42.255 42.059 0.125 0.000 1.337 181 L HN 0.416 nan 8.230 nan 0.000 0.555 182 E N 1.706 121.901 120.200 -0.008 0.000 2.480 182 E HA 0.125 4.475 4.350 -0.000 0.000 0.258 182 E C 1.164 177.752 176.600 -0.021 0.000 0.984 182 E CA 0.817 57.217 56.400 0.001 0.000 0.930 182 E CB 0.569 30.268 29.700 -0.003 0.000 0.936 182 E HN 0.310 nan 8.360 nan 0.000 0.466 183 A N 2.837 125.657 122.820 -0.000 0.000 2.945 183 A HA -0.237 4.083 4.320 -0.000 0.000 0.263 183 A C 1.113 178.661 177.584 -0.059 0.000 1.293 183 A CA 1.122 53.152 52.037 -0.012 0.000 0.944 183 A CB -2.111 16.878 19.000 -0.018 0.000 1.093 183 A HN 0.489 nan 8.150 nan 0.000 0.786 184 V N -1.695 118.144 119.914 -0.126 0.000 2.346 184 V HA 0.077 4.197 4.120 -0.000 0.000 0.244 184 V C 1.264 177.131 176.094 -0.378 0.000 1.037 184 V CA 1.903 64.008 62.300 -0.324 0.000 1.029 184 V CB -0.394 31.095 31.823 -0.557 0.000 0.663 184 V HN 0.522 nan 8.190 nan 0.000 0.454 185 F N 0.777 120.745 119.950 0.029 0.000 2.397 185 F HA 0.458 4.985 4.527 -0.000 0.000 0.331 185 F C 1.031 176.860 175.800 0.048 0.000 1.090 185 F CA -0.901 57.123 58.000 0.040 0.000 1.065 185 F CB 0.724 39.753 39.000 0.049 0.000 1.184 185 F HN 0.008 nan 8.300 nan 0.000 0.499 186 T N -2.142 112.571 114.554 0.265 0.000 2.788 186 T HA 0.103 4.453 4.350 -0.000 0.000 0.287 186 T C 0.815 175.634 174.700 0.200 0.000 1.007 186 T CA -0.708 61.501 62.100 0.181 0.000 1.005 186 T CB 0.722 69.686 68.868 0.160 0.000 1.012 186 T HN 0.519 nan 8.240 nan 0.000 0.530 187 D N -0.123 120.389 120.400 0.186 0.000 2.178 187 D HA -0.068 4.571 4.640 -0.000 0.000 0.201 187 D C 1.879 178.406 176.300 0.379 0.000 0.980 187 D CA 0.691 54.842 54.000 0.252 0.000 0.842 187 D CB -0.166 40.730 40.800 0.161 0.000 0.948 187 D HN 0.388 nan 8.370 nan 0.000 0.472 188 L N 1.249 122.690 121.223 0.363 0.000 2.093 188 L HA -0.104 4.235 4.340 -0.000 0.000 0.208 188 L C 1.949 178.849 176.870 0.050 0.000 1.085 188 L CA 1.592 56.536 54.840 0.173 0.000 0.755 188 L CB -0.210 41.936 42.059 0.144 0.000 0.904 188 L HN -0.093 nan 8.230 nan 0.000 0.435 189 E N -0.605 119.659 120.200 0.107 0.000 2.107 189 E HA -0.178 4.171 4.350 -0.000 0.000 0.191 189 E C 2.259 178.846 176.600 -0.023 0.000 0.982 189 E CA 1.315 57.746 56.400 0.053 0.000 0.809 189 E CB -0.113 29.675 29.700 0.146 0.000 0.756 189 E HN 0.526 nan 8.360 nan 0.000 0.459 190 I N 0.725 121.320 120.570 0.041 0.000 2.202 190 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 190 I C 2.379 178.498 176.117 0.002 0.000 1.091 190 I CA 0.528 61.840 61.300 0.020 0.000 1.368 190 I CB -0.080 37.974 38.000 0.089 0.000 1.058 190 I HN 0.143 nan 8.210 nan 0.000 0.410 191 L N 1.112 122.331 121.223 -0.007 0.000 2.046 191 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 191 L C 2.526 179.413 176.870 0.028 0.000 1.077 191 L CA 2.145 56.948 54.840 -0.061 0.000 0.747 191 L CB -0.769 41.132 42.059 -0.264 0.000 0.896 191 L HN 0.196 nan 8.230 nan 0.000 0.432 192 A N -0.464 122.347 122.820 -0.015 0.000 1.877 192 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 192 A C 2.465 180.105 177.584 0.092 0.000 1.186 192 A CA 1.930 53.992 52.037 0.042 0.000 0.620 192 A CB -1.249 17.753 19.000 0.003 0.000 0.822 192 A HN 0.577 nan 8.150 nan 0.000 0.443 193 A N -0.191 122.634 122.820 0.009 0.000 1.902 193 A HA -0.082 4.237 4.320 -0.000 0.000 0.217 193 A C 2.139 179.746 177.584 0.038 0.000 1.181 193 A CA 1.591 53.615 52.037 -0.021 0.000 0.623 193 A CB -0.591 18.341 19.000 -0.114 0.000 0.818 193 A HN 0.508 nan 8.150 nan 0.000 0.443 194 I N -2.144 118.479 120.570 0.089 0.000 2.286 194 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 194 I C 2.343 178.597 176.117 0.228 0.000 1.104 194 I CA 1.337 62.725 61.300 0.146 0.000 1.397 194 I CB -0.326 37.773 38.000 0.165 0.000 1.072 194 I HN 0.427 nan 8.210 nan 0.000 0.417 195 F N 1.980 122.021 119.950 0.152 0.000 2.102 195 F HA -0.206 4.321 4.527 -0.001 0.000 0.298 195 F C 2.493 178.352 175.800 0.099 0.000 1.105 195 F CA 1.345 59.455 58.000 0.184 0.000 1.239 195 F CB -0.410 38.734 39.000 0.240 0.000 0.991 195 F HN -0.003 nan 8.300 nan 0.000 0.474 196 A N -0.353 122.523 122.820 0.092 0.000 1.883 196 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 196 A C 2.380 179.937 177.584 -0.046 0.000 1.186 196 A CA 2.275 54.298 52.037 -0.022 0.000 0.624 196 A CB -1.380 17.650 19.000 0.050 0.000 0.822 196 A HN 0.447 nan 8.150 nan 0.000 0.444 197 S N -0.180 115.502 115.700 -0.030 0.000 2.370 197 S HA -0.079 4.391 4.470 -0.000 0.000 0.226 197 S C 2.276 176.899 174.600 0.039 0.000 1.033 197 S CA 1.276 59.443 58.200 -0.055 0.000 1.011 197 S CB -0.500 62.651 63.200 -0.082 0.000 0.852 197 S HN 0.828 nan 8.310 nan 0.000 0.457 198 A N 1.662 124.463 122.820 -0.031 0.000 1.930 198 A HA -0.008 4.311 4.320 -0.000 0.000 0.217 198 A C 2.064 179.627 177.584 -0.035 0.000 1.175 198 A CA 1.439 53.446 52.037 -0.051 0.000 0.627 198 A CB -0.669 18.300 19.000 -0.052 0.000 0.815 198 A HN 0.693 nan 8.150 nan 0.000 0.443 199 I N -3.230 117.228 120.570 -0.186 0.000 3.883 199 I HA 0.062 4.232 4.170 -0.000 0.000 0.326 199 I C 1.917 177.964 176.117 -0.117 0.000 1.283 199 I CA 0.702 61.886 61.300 -0.194 0.000 1.161 199 I CB -0.535 37.181 38.000 -0.474 0.000 1.012 199 I HN 0.481 nan 8.210 nan 0.000 0.421 200 H N 0.876 119.883 119.070 -0.105 0.000 2.492 200 H HA -0.154 4.401 4.556 -0.000 0.000 0.296 200 H C 0.098 175.286 175.328 -0.234 0.000 1.095 200 H CA 1.662 57.663 56.048 -0.080 0.000 1.281 200 H CB -0.187 29.557 29.762 -0.030 0.000 1.374 200 H HN 0.416 nan 8.280 nan 0.000 0.545 201 D N 0.920 120.810 120.400 -0.851 0.000 2.620 201 D HA 0.121 4.761 4.640 -0.000 0.000 0.260 201 D C -0.190 175.611 176.300 -0.832 0.000 1.367 201 D CA -0.291 53.050 54.000 -1.098 0.000 0.805 201 D CB 0.774 41.321 40.800 -0.423 0.000 1.096 201 D HN 0.117 nan 8.370 nan 0.000 0.488 202 V N 1.442 120.868 119.914 -0.814 0.000 2.694 202 V HA -0.018 4.102 4.120 -0.000 0.000 0.306 202 V C 0.717 176.602 176.094 -0.348 0.000 1.054 202 V CA 0.821 62.469 62.300 -1.087 0.000 1.161 202 V CB 0.773 32.168 31.823 -0.713 0.000 0.916 202 V HN 0.378 nan 8.190 nan 0.000 0.490 203 D N 3.074 123.258 120.400 -0.359 0.000 2.945 203 D HA -0.222 4.418 4.640 -0.000 0.000 0.225 203 D C 0.110 176.600 176.300 0.318 0.000 1.158 203 D CA 1.252 55.265 54.000 0.021 0.000 0.805 203 D CB -1.502 39.371 40.800 0.122 0.000 1.098 203 D HN 0.883 nan 8.370 nan 0.000 0.426 204 H N 0.132 119.339 119.070 0.228 0.000 2.848 204 H HA 0.161 4.717 4.556 -0.000 0.000 0.317 204 H C -1.429 174.070 175.328 0.285 0.000 1.046 204 H CA -0.478 55.754 56.048 0.307 0.000 1.470 204 H CB 1.311 31.197 29.762 0.207 0.000 1.483 204 H HN 0.129 nan 8.280 nan 0.000 0.548 205 P HA 0.052 nan 4.420 nan 0.000 0.241 205 P C 0.646 178.034 177.300 0.147 0.000 1.191 205 P CA 1.259 64.424 63.100 0.109 0.000 0.771 205 P CB 0.567 32.270 31.700 0.005 0.000 0.929 206 G N -0.354 108.707 108.800 0.435 0.000 2.141 206 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.231 206 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.231 206 G C 0.035 175.024 174.900 0.148 0.000 0.984 206 G CA 0.049 45.308 45.100 0.265 0.000 0.660 206 G HN 0.562 nan 8.290 nan 0.000 0.525 207 V N -1.741 118.246 119.914 0.122 0.000 3.001 207 V HA 0.957 5.077 4.120 -0.000 0.000 0.314 207 V C 0.588 176.740 176.094 0.097 0.000 1.099 207 V CA -0.149 62.126 62.300 -0.041 0.000 0.989 207 V CB 1.534 33.129 31.823 -0.380 0.000 1.040 207 V HN 1.407 nan 8.190 nan 0.000 0.434 208 S N 1.456 117.226 115.700 0.117 0.000 2.624 208 S HA 0.278 4.748 4.470 -0.000 0.000 0.263 208 S C 0.761 175.440 174.600 0.132 0.000 1.287 208 S CA -0.133 58.152 58.200 0.142 0.000 0.990 208 S CB 0.597 63.880 63.200 0.138 0.000 0.950 208 S HN 0.797 nan 8.310 nan 0.000 0.561 209 N N 0.752 119.504 118.700 0.087 0.000 2.104 209 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 209 N C 1.725 177.283 175.510 0.080 0.000 1.024 209 N CA 1.491 54.577 53.050 0.060 0.000 0.853 209 N CB -0.734 37.779 38.487 0.044 0.000 1.008 209 N HN 0.763 nan 8.380 nan 0.000 0.424 210 Q N 0.134 119.989 119.800 0.091 0.000 2.124 210 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 210 Q C 1.822 177.877 176.000 0.093 0.000 0.977 210 Q CA 1.109 56.957 55.803 0.074 0.000 0.850 210 Q CB -0.534 28.242 28.738 0.064 0.000 0.901 210 Q HN 0.402 nan 8.270 nan 0.000 0.429 211 F N -0.272 119.680 119.950 0.003 0.000 2.146 211 F HA -0.107 4.420 4.527 0.000 0.000 0.298 211 F C 1.489 177.288 175.800 -0.002 0.000 1.096 211 F CA 1.212 59.215 58.000 0.004 0.000 1.275 211 F CB -0.102 38.908 39.000 0.017 0.000 1.008 211 F HN 0.091 nan 8.300 nan 0.000 0.480 212 L N -0.100 121.237 121.223 0.190 0.000 2.083 212 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 212 L C 2.417 179.260 176.870 -0.044 0.000 1.083 212 L CA 1.223 56.103 54.840 0.067 0.000 0.752 212 L CB -0.625 41.482 42.059 0.081 0.000 0.899 212 L HN 0.210 nan 8.230 nan 0.000 0.433 213 I N -0.177 120.377 120.570 -0.027 0.000 2.233 213 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 213 I C 2.034 178.100 176.117 -0.085 0.000 1.093 213 I CA 0.994 62.271 61.300 -0.038 0.000 1.380 213 I CB -0.362 37.632 38.000 -0.010 0.000 1.067 213 I HN 0.312 nan 8.210 nan 0.000 0.413 214 N N 0.435 119.062 118.700 -0.122 0.000 2.364 214 N HA -0.118 4.621 4.740 -0.000 0.000 0.183 214 N C 1.560 176.936 175.510 -0.223 0.000 1.022 214 N CA 1.750 54.707 53.050 -0.155 0.000 0.883 214 N CB -0.469 37.926 38.487 -0.155 0.000 0.965 214 N HN 0.456 nan 8.380 nan 0.000 0.438 215 T N -2.144 112.219 114.554 -0.319 0.000 3.145 215 T HA 0.133 4.483 4.350 -0.000 0.000 0.255 215 T C 0.138 174.736 174.700 -0.170 0.000 1.039 215 T CA -0.529 61.384 62.100 -0.312 0.000 0.928 215 T CB -0.226 68.329 68.868 -0.521 0.000 1.029 215 T HN 0.020 nan 8.240 nan 0.000 0.554 216 N N 2.302 120.928 118.700 -0.124 0.000 2.714 216 N HA -0.166 4.574 4.740 -0.000 0.000 0.252 216 N C 0.113 175.584 175.510 -0.065 0.000 1.014 216 N CA 1.092 54.096 53.050 -0.077 0.000 0.735 216 N CB -1.836 36.612 38.487 -0.064 0.000 0.924 216 N HN 0.911 nan 8.380 nan 0.000 0.540 217 S N -0.960 114.702 115.700 -0.064 0.000 2.584 217 S HA 0.137 4.607 4.470 -0.000 0.000 0.270 217 S C 1.345 175.924 174.600 -0.037 0.000 1.346 217 S CA -0.361 57.816 58.200 -0.040 0.000 1.018 217 S CB 1.397 64.587 63.200 -0.018 0.000 0.899 217 S HN 0.305 nan 8.310 nan 0.000 0.542 218 E N 0.102 120.280 120.200 -0.036 0.000 2.110 218 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 218 E C 1.730 178.292 176.600 -0.062 0.000 0.988 218 E CA 0.896 57.267 56.400 -0.048 0.000 0.804 218 E CB -0.295 29.379 29.700 -0.043 0.000 0.745 218 E HN 0.566 nan 8.360 nan 0.000 0.458 219 L N 0.850 122.040 121.223 -0.055 0.000 2.046 219 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 219 L C 2.226 179.118 176.870 0.037 0.000 1.077 219 L CA 1.818 56.638 54.840 -0.033 0.000 0.747 219 L CB -0.494 41.522 42.059 -0.072 0.000 0.896 219 L HN 0.053 nan 8.230 nan 0.000 0.432 220 A N -1.244 121.585 122.820 0.016 0.000 1.969 220 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 220 A C 2.163 179.752 177.584 0.008 0.000 1.169 220 A CA 1.550 53.607 52.037 0.033 0.000 0.635 220 A CB -0.764 18.240 19.000 0.006 0.000 0.810 220 A HN 0.424 nan 8.150 nan 0.000 0.445 221 L N -1.206 119.999 121.223 -0.030 0.000 2.056 221 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 221 L C 2.354 179.171 176.870 -0.089 0.000 1.078 221 L CA 2.493 57.304 54.840 -0.049 0.000 0.749 221 L CB -0.503 41.524 42.059 -0.054 0.000 0.901 221 L HN 0.427 nan 8.230 nan 0.000 0.433 222 M N -1.355 118.149 119.600 -0.159 0.000 2.132 222 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 222 M C 1.168 177.205 176.300 -0.438 0.000 1.065 222 M CA 1.827 56.918 55.300 -0.347 0.000 1.122 222 M CB -0.371 31.909 32.600 -0.533 0.000 1.365 222 M HN 0.282 nan 8.290 nan 0.000 0.411 223 Y N 0.585 120.878 120.300 -0.011 0.000 2.524 223 Y HA 0.334 4.883 4.550 -0.000 0.000 0.266 223 Y C 0.343 176.241 175.900 -0.002 0.000 1.180 223 Y CA -0.648 57.451 58.100 -0.002 0.000 1.244 223 Y CB -0.586 37.871 38.460 -0.004 0.000 1.125 223 Y HN 0.311 nan 8.280 nan 0.000 0.524 224 N N 1.402 120.151 118.700 0.082 0.000 2.727 224 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 224 N C -0.634 174.912 175.510 0.061 0.000 1.048 224 N CA 1.355 54.438 53.050 0.055 0.000 0.714 224 N CB -1.058 37.458 38.487 0.049 0.000 0.959 224 N HN 0.484 nan 8.380 nan 0.000 0.544 225 D N -2.417 118.022 120.400 0.064 0.000 3.070 225 D HA -0.168 4.472 4.640 -0.000 0.000 0.220 225 D C -0.659 175.671 176.300 0.050 0.000 1.176 225 D CA 1.601 55.630 54.000 0.048 0.000 0.924 225 D CB -1.435 39.380 40.800 0.027 0.000 1.124 225 D HN 0.512 nan 8.370 nan 0.000 0.411 226 S N -0.398 115.342 115.700 0.067 0.000 2.474 226 S HA 0.435 4.905 4.470 -0.000 0.000 0.321 226 S C 0.426 175.040 174.600 0.024 0.000 1.080 226 S CA -0.506 57.723 58.200 0.048 0.000 1.106 226 S CB 2.047 65.279 63.200 0.053 0.000 0.984 226 S HN 0.148 nan 8.310 nan 0.000 0.464 227 S N 1.357 117.061 115.700 0.007 0.000 3.491 227 S HA -0.143 4.327 4.470 -0.000 0.000 0.371 227 S C 1.404 175.941 174.600 -0.105 0.000 0.980 227 S CA 0.425 58.608 58.200 -0.027 0.000 1.204 227 S CB -1.681 61.503 63.200 -0.026 0.000 0.915 227 S HN 0.641 nan 8.310 nan 0.000 0.482 228 V N 0.632 120.508 119.914 -0.064 0.000 2.231 228 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 228 V C 2.263 178.217 176.094 -0.234 0.000 1.054 228 V CA 2.560 64.811 62.300 -0.082 0.000 1.015 228 V CB -0.499 31.333 31.823 0.015 0.000 0.638 228 V HN 0.688 nan 8.190 nan 0.000 0.444 229 L N -0.618 120.472 121.223 -0.222 0.000 2.056 229 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 229 L C 2.640 179.128 176.870 -0.636 0.000 1.078 229 L CA 1.478 56.059 54.840 -0.431 0.000 0.749 229 L CB -0.540 41.305 42.059 -0.357 0.000 0.901 229 L HN 0.344 nan 8.230 nan 0.000 0.433 230 E N -0.093 119.956 120.200 -0.251 0.000 2.110 230 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 230 E C 1.954 178.458 176.600 -0.160 0.000 0.988 230 E CA 0.835 57.204 56.400 -0.052 0.000 0.804 230 E CB -0.209 29.528 29.700 0.061 0.000 0.745 230 E HN 0.347 nan 8.360 nan 0.000 0.458 231 N N -0.127 118.363 118.700 -0.349 0.000 2.188 231 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 231 N C 1.766 177.015 175.510 -0.435 0.000 1.018 231 N CA 1.147 53.905 53.050 -0.487 0.000 0.858 231 N CB -0.198 37.656 38.487 -1.056 0.000 0.989 231 N HN 0.271 nan 8.380 nan 0.000 0.426 232 H N 0.782 119.494 119.070 -0.597 0.000 2.357 232 H HA -0.038 4.517 4.556 -0.000 0.000 0.301 232 H C 1.815 177.062 175.328 -0.135 0.000 1.082 232 H CA 1.716 57.612 56.048 -0.253 0.000 1.342 232 H CB -0.109 29.521 29.762 -0.219 0.000 1.389 232 H HN 0.278 nan 8.280 nan 0.000 0.511 233 H N -0.004 118.977 119.070 -0.148 0.000 2.352 233 H HA -0.116 4.440 4.556 0.000 0.000 0.299 233 H C 2.609 177.828 175.328 -0.183 0.000 1.097 233 H CA 1.489 57.415 56.048 -0.203 0.000 1.311 233 H CB -0.539 29.157 29.762 -0.111 0.000 1.377 233 H HN 0.356 nan 8.280 nan 0.000 0.504 234 L N 0.134 121.373 121.223 0.027 0.000 2.017 234 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 234 L C 2.906 179.875 176.870 0.165 0.000 1.073 234 L CA 1.042 55.926 54.840 0.073 0.000 0.745 234 L CB -0.546 41.631 42.059 0.197 0.000 0.894 234 L HN 0.224 nan 8.230 nan 0.000 0.432 235 A N -0.438 122.458 122.820 0.126 0.000 1.908 235 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 235 A C 2.309 179.939 177.584 0.077 0.000 1.181 235 A CA 2.118 54.254 52.037 0.165 0.000 0.627 235 A CB -0.908 18.199 19.000 0.179 0.000 0.818 235 A HN 0.221 nan 8.150 nan 0.000 0.445 236 V N -0.228 119.621 119.914 -0.109 0.000 2.307 236 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 236 V C 2.846 178.885 176.094 -0.092 0.000 1.045 236 V CA 1.871 64.076 62.300 -0.158 0.000 1.024 236 V CB -1.513 30.117 31.823 -0.322 0.000 0.651 236 V HN 0.615 nan 8.190 nan 0.000 0.449 237 G N -0.569 108.164 108.800 -0.111 0.000 2.440 237 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 237 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 237 G C 1.451 176.409 174.900 0.097 0.000 1.154 237 G CA 0.996 46.036 45.100 -0.100 0.000 0.767 237 G HN 0.449 nan 8.290 nan 0.000 0.552 238 F N 0.949 121.026 119.950 0.211 0.000 2.187 238 F HA 0.179 4.706 4.527 0.000 0.000 0.295 238 F C 2.679 178.570 175.800 0.152 0.000 1.091 238 F CA 1.064 59.201 58.000 0.228 0.000 1.308 238 F CB -0.188 38.910 39.000 0.164 0.000 1.030 238 F HN 0.029 nan 8.300 nan 0.000 0.487 239 K N 0.272 120.835 120.400 0.272 0.000 2.152 239 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 239 K C 1.967 178.639 176.600 0.121 0.000 1.048 239 K CA 1.144 57.524 56.287 0.156 0.000 0.933 239 K CB -0.481 32.072 32.500 0.088 0.000 0.721 239 K HN 0.298 nan 8.250 nan 0.000 0.447 240 L N 0.884 122.175 121.223 0.113 0.000 2.275 240 L HA -0.142 4.198 4.340 -0.000 0.000 0.215 240 L C 1.998 179.025 176.870 0.262 0.000 1.119 240 L CA 0.629 55.525 54.840 0.095 0.000 0.790 240 L CB -0.343 41.689 42.059 -0.044 0.000 0.919 240 L HN 0.182 nan 8.230 nan 0.000 0.443 241 L N -0.734 120.668 121.223 0.299 0.000 2.362 241 L HA -0.187 4.153 4.340 -0.000 0.000 0.219 241 L C 2.205 179.137 176.870 0.104 0.000 1.134 241 L CA 0.914 55.846 54.840 0.154 0.000 0.807 241 L CB -0.328 41.784 42.059 0.089 0.000 0.927 241 L HN 0.362 nan 8.230 nan 0.000 0.447 242 Q N -0.698 119.167 119.800 0.110 0.000 2.425 242 Q HA 0.025 4.365 4.340 -0.000 0.000 0.204 242 Q C 0.238 176.274 176.000 0.060 0.000 0.933 242 Q CA 0.020 55.867 55.803 0.073 0.000 0.939 242 Q CB 0.362 29.142 28.738 0.070 0.000 1.044 242 Q HN 0.387 nan 8.270 nan 0.000 0.513 243 E N 1.585 121.826 120.200 0.069 0.000 2.392 243 E HA -0.010 4.340 4.350 -0.000 0.000 0.256 243 E C -0.279 176.349 176.600 0.045 0.000 1.145 243 E CA -0.070 56.361 56.400 0.052 0.000 0.929 243 E CB 0.415 30.144 29.700 0.048 0.000 0.998 243 E HN 0.163 nan 8.360 nan 0.000 0.442 244 E N 1.690 121.910 120.200 0.034 0.000 2.585 244 E HA -0.195 4.154 4.350 -0.000 0.000 0.252 244 E C -0.127 176.487 176.600 0.024 0.000 0.981 244 E CA 0.196 56.611 56.400 0.025 0.000 0.943 244 E CB -0.062 29.650 29.700 0.020 0.000 0.923 244 E HN 0.438 nan 8.360 nan 0.000 0.486 245 N N 3.054 121.765 118.700 0.017 0.000 2.727 245 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 245 N C -0.756 174.765 175.510 0.017 0.000 1.048 245 N CA 0.960 54.016 53.050 0.009 0.000 0.714 245 N CB -1.448 37.041 38.487 0.003 0.000 0.959 245 N HN 0.486 nan 8.380 nan 0.000 0.544 246 C N -1.222 118.098 119.300 0.034 0.000 3.392 246 C HA 0.251 4.711 4.460 -0.000 0.000 0.301 246 C C 0.627 175.600 174.990 -0.028 0.000 1.354 246 C CA -0.482 58.587 59.018 0.084 0.000 1.732 246 C CB -0.427 27.425 27.740 0.186 0.000 2.269 246 C HN 0.554 nan 8.230 nan 0.000 0.673 247 D N 2.184 122.545 120.400 -0.065 0.000 2.455 247 D HA 0.107 4.747 4.640 -0.000 0.000 0.234 247 D C 1.336 177.490 176.300 -0.243 0.000 1.224 247 D CA -0.106 53.807 54.000 -0.145 0.000 0.999 247 D CB -0.072 40.701 40.800 -0.044 0.000 1.072 247 D HN 0.603 nan 8.370 nan 0.000 0.514 248 I N -0.853 119.404 120.570 -0.521 0.000 2.916 248 I HA -0.030 4.140 4.170 -0.000 0.000 0.267 248 I C 0.350 176.153 176.117 -0.524 0.000 1.263 248 I CA 0.599 61.558 61.300 -0.569 0.000 1.471 248 I CB -0.307 37.216 38.000 -0.794 0.000 1.089 248 I HN 0.033 nan 8.210 nan 0.000 0.468 249 F N 2.157 122.008 119.950 -0.165 0.000 2.647 249 F HA 0.205 4.732 4.527 -0.000 0.000 0.300 249 F C 2.214 177.973 175.800 -0.069 0.000 1.106 249 F CA -0.651 57.264 58.000 -0.141 0.000 1.313 249 F CB -0.630 38.241 39.000 -0.216 0.000 1.007 249 F HN 0.202 nan 8.300 nan 0.000 0.536 250 Q N -0.283 119.552 119.800 0.059 0.000 2.297 250 Q HA -0.177 4.163 4.340 -0.000 0.000 0.208 250 Q C 0.646 176.687 176.000 0.068 0.000 0.981 250 Q CA 1.639 57.472 55.803 0.051 0.000 0.876 250 Q CB -0.342 28.407 28.738 0.018 0.000 0.921 250 Q HN 0.236 nan 8.270 nan 0.000 0.446 251 N N -0.061 118.696 118.700 0.095 0.000 2.203 251 N HA 0.183 4.923 4.740 -0.000 0.000 0.207 251 N C -0.693 174.895 175.510 0.130 0.000 1.130 251 N CA -0.046 53.064 53.050 0.100 0.000 0.861 251 N CB 0.470 39.015 38.487 0.098 0.000 1.005 251 N HN 0.123 nan 8.380 nan 0.000 0.507 252 L N 0.974 122.283 121.223 0.143 0.000 2.439 252 L HA 0.175 4.515 4.340 -0.000 0.000 0.261 252 L C 1.456 178.373 176.870 0.078 0.000 1.153 252 L CA -0.089 54.836 54.840 0.141 0.000 0.808 252 L CB 0.527 42.633 42.059 0.077 0.000 1.126 252 L HN 0.091 nan 8.230 nan 0.000 0.460 253 T N -1.578 113.017 114.554 0.068 0.000 2.766 253 T HA 0.165 4.515 4.350 -0.000 0.000 0.295 253 T C 1.089 175.795 174.700 0.010 0.000 1.024 253 T CA -0.443 61.679 62.100 0.037 0.000 1.018 253 T CB 0.469 69.357 68.868 0.035 0.000 1.002 253 T HN 0.547 nan 8.240 nan 0.000 0.532 254 K N 0.307 120.707 120.400 0.000 0.000 2.063 254 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 254 K C 2.367 178.948 176.600 -0.032 0.000 1.048 254 K CA 1.477 57.754 56.287 -0.018 0.000 0.928 254 K CB -0.185 32.306 32.500 -0.016 0.000 0.713 254 K HN 0.638 nan 8.250 nan 0.000 0.442 255 K N 1.403 121.790 120.400 -0.021 0.000 2.097 255 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 255 K C 2.112 178.691 176.600 -0.035 0.000 1.050 255 K CA 1.361 57.632 56.287 -0.028 0.000 0.938 255 K CB 0.132 32.623 32.500 -0.013 0.000 0.718 255 K HN 0.165 nan 8.250 nan 0.000 0.442 256 Q N -0.115 119.672 119.800 -0.021 0.000 2.079 256 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 256 Q C 2.169 178.098 176.000 -0.118 0.000 0.974 256 Q CA 1.427 57.210 55.803 -0.033 0.000 0.840 256 Q CB 0.018 28.772 28.738 0.027 0.000 0.898 256 Q HN 0.260 nan 8.270 nan 0.000 0.430 257 R N 0.458 120.886 120.500 -0.121 0.000 2.081 257 R HA -0.176 4.163 4.340 -0.000 0.000 0.235 257 R C 2.356 178.551 176.300 -0.176 0.000 1.131 257 R CA 1.486 57.474 56.100 -0.187 0.000 0.960 257 R CB -0.215 30.014 30.300 -0.118 0.000 0.856 257 R HN 0.317 nan 8.270 nan 0.000 0.436 258 Q N 0.244 119.970 119.800 -0.122 0.000 2.050 258 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 258 Q C 2.135 178.067 176.000 -0.114 0.000 0.980 258 Q CA 2.019 57.753 55.803 -0.115 0.000 0.840 258 Q CB -0.087 28.598 28.738 -0.088 0.000 0.898 258 Q HN 0.224 nan 8.270 nan 0.000 0.424 259 S N 0.104 115.744 115.700 -0.099 0.000 2.356 259 S HA -0.144 4.326 4.470 -0.000 0.000 0.223 259 S C 1.944 176.503 174.600 -0.069 0.000 1.032 259 S CA 1.148 59.301 58.200 -0.078 0.000 1.005 259 S CB -0.379 62.793 63.200 -0.047 0.000 0.867 259 S HN 0.516 nan 8.310 nan 0.000 0.449 260 L N 1.488 122.630 121.223 -0.135 0.000 2.017 260 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 260 L C 2.673 179.492 176.870 -0.085 0.000 1.073 260 L CA 1.965 56.697 54.840 -0.179 0.000 0.745 260 L CB -0.466 41.330 42.059 -0.438 0.000 0.894 260 L HN 0.323 nan 8.230 nan 0.000 0.432 261 R N 0.093 120.525 120.500 -0.113 0.000 2.091 261 R HA -0.265 4.075 4.340 -0.000 0.000 0.238 261 R C 2.459 178.779 176.300 0.033 0.000 1.136 261 R CA 2.152 58.224 56.100 -0.047 0.000 0.959 261 R CB -0.300 29.829 30.300 -0.285 0.000 0.856 261 R HN 0.364 nan 8.270 nan 0.000 0.437 262 K N 0.135 120.526 120.400 -0.014 0.000 2.057 262 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 262 K C 2.142 178.817 176.600 0.127 0.000 1.049 262 K CA 1.837 58.141 56.287 0.028 0.000 0.931 262 K CB -0.052 32.426 32.500 -0.036 0.000 0.714 262 K HN 0.231 nan 8.250 nan 0.000 0.440 263 M N 0.320 120.007 119.600 0.145 0.000 2.175 263 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 263 M C 2.130 178.525 176.300 0.159 0.000 1.063 263 M CA 1.163 56.576 55.300 0.189 0.000 1.119 263 M CB -0.043 32.651 32.600 0.156 0.000 1.377 263 M HN 0.001 nan 8.290 nan 0.000 0.415 264 V N 0.677 120.709 119.914 0.196 0.000 2.358 264 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 264 V C 2.180 178.421 176.094 0.245 0.000 1.047 264 V CA 1.641 64.090 62.300 0.249 0.000 1.035 264 V CB -0.522 31.547 31.823 0.410 0.000 0.658 264 V HN 0.421 nan 8.190 nan 0.000 0.452 265 I N 0.092 120.832 120.570 0.284 0.000 2.179 265 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 265 I C 2.285 178.491 176.117 0.149 0.000 1.088 265 I CA 1.608 63.047 61.300 0.231 0.000 1.357 265 I CB -0.502 37.609 38.000 0.185 0.000 1.051 265 I HN 0.300 nan 8.210 nan 0.000 0.409 266 D N 0.921 121.404 120.400 0.139 0.000 2.149 266 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 266 D C 2.219 178.564 176.300 0.075 0.000 0.990 266 D CA 1.365 55.431 54.000 0.110 0.000 0.839 266 D CB -0.139 40.747 40.800 0.143 0.000 0.948 266 D HN 0.351 nan 8.370 nan 0.000 0.460 267 I N 0.108 120.724 120.570 0.076 0.000 2.193 267 I HA -0.192 3.978 4.170 -0.000 0.000 0.240 267 I C 2.353 178.504 176.117 0.057 0.000 1.084 267 I CA 0.544 61.870 61.300 0.043 0.000 1.365 267 I CB -0.118 37.899 38.000 0.029 0.000 1.064 267 I HN -0.121 nan 8.210 nan 0.000 0.410 268 V N 1.149 121.116 119.914 0.088 0.000 2.427 268 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 268 V C 2.359 178.520 176.094 0.111 0.000 1.051 268 V CA 1.495 63.863 62.300 0.114 0.000 1.048 268 V CB -0.503 31.394 31.823 0.123 0.000 0.666 268 V HN 0.377 nan 8.190 nan 0.000 0.456 269 L N 0.236 121.512 121.223 0.087 0.000 2.191 269 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 269 L C 2.507 179.406 176.870 0.048 0.000 1.103 269 L CA 1.294 56.172 54.840 0.063 0.000 0.769 269 L CB -0.630 41.461 42.059 0.052 0.000 0.908 269 L HN 0.377 nan 8.230 nan 0.000 0.438 270 A N -0.353 122.487 122.820 0.033 0.000 2.206 270 A HA -0.098 4.222 4.320 -0.000 0.000 0.211 270 A C 2.188 179.756 177.584 -0.027 0.000 1.158 270 A CA 1.389 53.417 52.037 -0.016 0.000 0.761 270 A CB -0.649 18.331 19.000 -0.034 0.000 0.801 270 A HN 0.497 nan 8.150 nan 0.000 0.473 271 T N -2.537 112.058 114.554 0.068 0.000 3.113 271 T HA 0.010 4.360 4.350 -0.000 0.000 0.256 271 T C 0.545 175.355 174.700 0.183 0.000 1.131 271 T CA 0.325 62.520 62.100 0.158 0.000 1.074 271 T CB -0.397 68.618 68.868 0.245 0.000 0.944 271 T HN 0.313 nan 8.240 nan 0.000 0.516 272 D N 1.689 122.162 120.400 0.121 0.000 2.451 272 D HA -0.011 4.629 4.640 -0.000 0.000 0.254 272 D C 1.216 177.590 176.300 0.124 0.000 1.204 272 D CA -0.209 53.862 54.000 0.119 0.000 0.896 272 D CB 0.646 41.489 40.800 0.071 0.000 1.136 272 D HN 0.015 nan 8.370 nan 0.000 0.499 273 M N 2.754 122.459 119.600 0.176 0.000 2.346 273 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 273 M C 2.018 178.423 176.300 0.174 0.000 1.064 273 M CA 0.823 56.249 55.300 0.210 0.000 1.083 273 M CB -1.309 31.419 32.600 0.212 0.000 1.399 273 M HN 0.516 nan 8.290 nan 0.000 0.435 274 S N -0.206 115.567 115.700 0.122 0.000 2.507 274 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 274 S C 1.571 176.225 174.600 0.089 0.000 0.988 274 S CA 0.656 58.916 58.200 0.101 0.000 0.944 274 S CB -0.285 62.959 63.200 0.073 0.000 0.762 274 S HN 0.527 nan 8.310 nan 0.000 0.526 275 K N -0.174 120.268 120.400 0.070 0.000 2.374 275 K HA 0.151 4.471 4.320 -0.000 0.000 0.196 275 K C 1.507 178.102 176.600 -0.009 0.000 1.023 275 K CA 0.324 56.622 56.287 0.019 0.000 1.103 275 K CB -0.107 32.382 32.500 -0.018 0.000 0.848 275 K HN 0.539 nan 8.250 nan 0.000 0.528 276 H N 1.666 120.720 119.070 -0.026 0.000 2.289 276 H HA -0.141 4.415 4.556 -0.000 0.000 0.296 276 H C 1.931 177.284 175.328 0.041 0.000 1.091 276 H CA 1.997 58.047 56.048 0.004 0.000 1.274 276 H CB 0.167 30.037 29.762 0.179 0.000 1.364 276 H HN -0.036 nan 8.280 nan 0.000 0.490 277 M N 0.464 120.043 119.600 -0.034 0.000 2.108 277 M HA -0.172 4.307 4.480 -0.000 0.000 0.261 277 M C 1.887 178.126 176.300 -0.102 0.000 1.066 277 M CA 1.266 56.520 55.300 -0.075 0.000 1.107 277 M CB -0.913 31.727 32.600 0.067 0.000 1.356 277 M HN 0.438 nan 8.290 nan 0.000 0.406 278 N N 0.430 119.092 118.700 -0.063 0.000 2.188 278 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 278 N C 1.802 177.261 175.510 -0.084 0.000 1.018 278 N CA 0.922 53.940 53.050 -0.053 0.000 0.858 278 N CB -0.423 38.047 38.487 -0.028 0.000 0.989 278 N HN 0.201 nan 8.380 nan 0.000 0.426 279 L N 0.993 122.138 121.223 -0.130 0.000 2.046 279 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 279 L C 2.096 178.890 176.870 -0.126 0.000 1.077 279 L CA 1.077 55.835 54.840 -0.138 0.000 0.747 279 L CB -0.727 41.200 42.059 -0.220 0.000 0.896 279 L HN 0.088 nan 8.230 nan 0.000 0.432 280 L N -0.539 120.560 121.223 -0.206 0.000 2.056 280 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 280 L C 2.502 179.323 176.870 -0.081 0.000 1.078 280 L CA 1.983 56.728 54.840 -0.158 0.000 0.749 280 L CB -1.119 40.776 42.059 -0.272 0.000 0.901 280 L HN 0.240 nan 8.230 nan 0.000 0.433 281 A N -0.649 122.125 122.820 -0.076 0.000 1.917 281 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 281 A C 2.015 179.582 177.584 -0.029 0.000 1.182 281 A CA 2.106 54.121 52.037 -0.038 0.000 0.633 281 A CB -0.862 18.122 19.000 -0.028 0.000 0.819 281 A HN 0.551 nan 8.150 nan 0.000 0.448 282 D N -0.738 119.642 120.400 -0.034 0.000 2.149 282 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 282 D C 1.826 178.113 176.300 -0.021 0.000 0.972 282 D CA 0.993 54.978 54.000 -0.024 0.000 0.835 282 D CB -0.328 40.457 40.800 -0.024 0.000 0.966 282 D HN 0.346 nan 8.370 nan 0.000 0.476 283 L N 1.341 122.552 121.223 -0.019 0.000 2.083 283 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 283 L C 1.912 178.770 176.870 -0.019 0.000 1.083 283 L CA 1.715 56.551 54.840 -0.007 0.000 0.752 283 L CB -0.225 41.846 42.059 0.019 0.000 0.899 283 L HN -0.165 nan 8.230 nan 0.000 0.433 284 K N -1.395 118.994 120.400 -0.018 0.000 2.057 284 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 284 K C 1.892 178.479 176.600 -0.022 0.000 1.049 284 K CA 1.790 58.066 56.287 -0.018 0.000 0.931 284 K CB -0.322 32.172 32.500 -0.010 0.000 0.714 284 K HN 0.363 nan 8.250 nan 0.000 0.440 285 T N 1.592 116.134 114.554 -0.020 0.000 2.788 285 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 285 T C 1.695 176.379 174.700 -0.027 0.000 1.044 285 T CA 1.255 63.342 62.100 -0.020 0.000 1.139 285 T CB -0.073 68.786 68.868 -0.016 0.000 0.867 285 T HN 0.259 nan 8.240 nan 0.000 0.454 286 M N 0.805 120.386 119.600 -0.031 0.000 2.132 286 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 286 M C 2.099 178.365 176.300 -0.056 0.000 1.065 286 M CA 1.418 56.693 55.300 -0.042 0.000 1.122 286 M CB -0.196 32.379 32.600 -0.043 0.000 1.365 286 M HN 0.072 nan 8.290 nan 0.000 0.411 287 V N 0.582 120.460 119.914 -0.060 0.000 2.343 287 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 287 V C 2.214 178.274 176.094 -0.057 0.000 1.051 287 V CA 2.171 64.428 62.300 -0.071 0.000 1.036 287 V CB -0.914 30.869 31.823 -0.068 0.000 0.654 287 V HN 0.522 nan 8.190 nan 0.000 0.451 288 E N 1.036 121.210 120.200 -0.043 0.000 2.204 288 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 288 E C 1.764 178.342 176.600 -0.037 0.000 0.990 288 E CA 1.582 57.960 56.400 -0.036 0.000 0.821 288 E CB -0.201 29.483 29.700 -0.026 0.000 0.750 288 E HN 0.741 nan 8.360 nan 0.000 0.477 289 T N -2.590 111.940 114.554 -0.039 0.000 3.228 289 T HA 0.243 4.593 4.350 -0.000 0.000 0.278 289 T C 0.409 175.082 174.700 -0.045 0.000 1.014 289 T CA -0.624 61.454 62.100 -0.037 0.000 0.904 289 T CB -0.084 68.766 68.868 -0.030 0.000 1.110 289 T HN -0.020 nan 8.240 nan 0.000 0.541 290 K N 1.950 122.317 120.400 -0.056 0.000 2.485 290 K HA 0.145 4.465 4.320 -0.000 0.000 0.277 290 K C -0.545 176.018 176.600 -0.061 0.000 0.990 290 K CA 0.267 56.514 56.287 -0.067 0.000 0.994 290 K CB 0.387 32.838 32.500 -0.082 0.000 0.906 290 K HN 0.262 nan 8.250 nan 0.000 0.488 291 K N 2.748 123.109 120.400 -0.064 0.000 2.468 291 K HA 0.315 4.635 4.320 -0.000 0.000 0.252 291 K C -1.138 175.422 176.600 -0.067 0.000 0.932 291 K CA -1.019 55.233 56.287 -0.058 0.000 0.794 291 K CB 2.131 34.601 32.500 -0.050 0.000 1.241 291 K HN 0.473 nan 8.250 nan 0.000 0.428 292 V N -1.411 118.467 119.914 -0.061 0.000 2.919 292 V HA 0.612 4.731 4.120 -0.000 0.000 0.316 292 V C 0.271 176.332 176.094 -0.055 0.000 1.077 292 V CA -0.730 61.532 62.300 -0.064 0.000 0.977 292 V CB 1.462 33.250 31.823 -0.060 0.000 1.039 292 V HN 0.933 nan 8.190 nan 0.000 0.441 293 T N 0.014 114.533 114.554 -0.057 0.000 2.770 293 T HA 0.265 4.615 4.350 -0.000 0.000 0.281 293 T C 1.126 175.802 174.700 -0.040 0.000 0.981 293 T CA 0.365 62.435 62.100 -0.049 0.000 0.955 293 T CB 0.907 69.743 68.868 -0.053 0.000 1.060 293 T HN 0.820 nan 8.240 nan 0.000 0.531 294 S N 0.193 115.873 115.700 -0.034 0.000 2.469 294 S HA -0.046 4.423 4.470 -0.000 0.000 0.238 294 S C 2.063 176.646 174.600 -0.028 0.000 0.998 294 S CA 0.872 59.054 58.200 -0.028 0.000 0.957 294 S CB -0.484 62.701 63.200 -0.024 0.000 0.764 294 S HN 0.726 nan 8.310 nan 0.000 0.514 295 S N -0.169 115.512 115.700 -0.032 0.000 2.528 295 S HA 0.319 4.789 4.470 -0.000 0.000 0.219 295 S C 1.635 176.215 174.600 -0.032 0.000 0.985 295 S CA 0.545 58.727 58.200 -0.030 0.000 0.914 295 S CB 0.290 63.471 63.200 -0.032 0.000 0.776 295 S HN 0.720 nan 8.310 nan 0.000 0.526 296 G N 1.275 110.052 108.800 -0.037 0.000 2.176 296 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.232 296 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.232 296 G C 0.262 175.132 174.900 -0.049 0.000 0.986 296 G CA 0.103 45.180 45.100 -0.039 0.000 0.643 296 G HN 0.832 nan 8.290 nan 0.000 0.522 297 V N -1.388 118.491 119.914 -0.058 0.000 2.997 297 V HA 0.852 4.972 4.120 -0.000 0.000 0.311 297 V C 1.141 177.178 176.094 -0.094 0.000 1.066 297 V CA -1.285 60.970 62.300 -0.076 0.000 1.039 297 V CB 1.658 33.433 31.823 -0.080 0.000 1.081 297 V HN 0.677 nan 8.190 nan 0.000 0.467 298 L N 2.325 123.476 121.223 -0.119 0.000 2.490 298 L HA 0.291 4.631 4.340 -0.000 0.000 0.274 298 L C -0.102 176.685 176.870 -0.139 0.000 1.201 298 L CA 0.422 55.181 54.840 -0.134 0.000 0.869 298 L CB 0.317 42.279 42.059 -0.162 0.000 1.123 298 L HN 0.794 nan 8.230 nan 0.000 0.484 299 L N 6.789 127.943 121.223 -0.114 0.000 2.259 299 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 299 L C -1.226 175.583 176.870 -0.101 0.000 1.051 299 L CA -0.390 54.389 54.840 -0.102 0.000 0.824 299 L CB 0.199 42.213 42.059 -0.074 0.000 1.206 299 L HN 0.576 nan 8.230 nan 0.000 0.429 300 L N 5.242 126.392 121.223 -0.121 0.000 2.366 300 L HA 0.309 4.649 4.340 -0.000 0.000 0.266 300 L C -0.389 176.441 176.870 -0.067 0.000 1.010 300 L CA -0.563 54.218 54.840 -0.098 0.000 0.879 300 L CB 1.335 43.310 42.059 -0.141 0.000 1.228 300 L HN 0.571 nan 8.230 nan 0.000 0.439 301 D N 0.621 120.999 120.400 -0.036 0.000 2.525 301 D HA 0.117 4.757 4.640 -0.000 0.000 0.229 301 D C -0.178 176.130 176.300 0.014 0.000 1.202 301 D CA -0.288 53.703 54.000 -0.014 0.000 0.828 301 D CB 0.077 40.867 40.800 -0.016 0.000 1.008 301 D HN 0.569 nan 8.370 nan 0.000 0.493 302 N N -2.601 116.116 118.700 0.028 0.000 2.598 302 N HA 0.112 4.852 4.740 -0.000 0.000 0.263 302 N C -0.257 175.311 175.510 0.096 0.000 1.254 302 N CA -1.025 52.065 53.050 0.067 0.000 0.863 302 N CB 0.551 39.070 38.487 0.053 0.000 1.586 302 N HN -0.194 nan 8.380 nan 0.000 0.491 303 Y N 1.397 121.717 120.300 0.033 0.000 2.114 303 Y HA -0.224 4.326 4.550 -0.000 0.000 0.282 303 Y C 2.477 178.408 175.900 0.050 0.000 1.165 303 Y CA 2.563 60.691 58.100 0.046 0.000 1.148 303 Y CB -0.522 37.959 38.460 0.035 0.000 0.972 303 Y HN 0.738 nan 8.280 nan 0.000 0.504 304 S N -0.170 115.559 115.700 0.047 0.000 2.368 304 S HA -0.250 4.220 4.470 -0.000 0.000 0.226 304 S C 1.811 176.360 174.600 -0.086 0.000 1.044 304 S CA 2.064 60.249 58.200 -0.025 0.000 1.062 304 S CB -0.589 62.636 63.200 0.043 0.000 0.931 304 S HN 0.634 nan 8.310 nan 0.000 0.440 305 D N 0.456 120.830 120.400 -0.043 0.000 2.144 305 D HA -0.025 4.615 4.640 -0.000 0.000 0.200 305 D C 2.329 178.616 176.300 -0.022 0.000 0.978 305 D CA 0.868 54.849 54.000 -0.032 0.000 0.833 305 D CB -0.303 40.484 40.800 -0.022 0.000 0.961 305 D HN 0.457 nan 8.370 nan 0.000 0.470 306 R N 0.062 120.541 120.500 -0.035 0.000 2.073 306 R HA -0.069 4.270 4.340 -0.000 0.000 0.234 306 R C 2.286 178.591 176.300 0.007 0.000 1.134 306 R CA 0.630 56.778 56.100 0.080 0.000 0.952 306 R CB -0.338 30.020 30.300 0.097 0.000 0.850 306 R HN 0.116 nan 8.270 nan 0.000 0.433 307 I N 1.278 121.664 120.570 -0.307 0.000 2.394 307 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 307 I C 2.386 178.419 176.117 -0.141 0.000 1.136 307 I CA 1.409 62.509 61.300 -0.334 0.000 1.425 307 I CB -0.244 37.348 38.000 -0.680 0.000 1.079 307 I HN 0.173 nan 8.210 nan 0.000 0.425 308 Q N -0.320 119.421 119.800 -0.097 0.000 2.084 308 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 308 Q C 2.220 178.243 176.000 0.039 0.000 0.978 308 Q CA 2.074 57.860 55.803 -0.028 0.000 0.844 308 Q CB 0.032 28.758 28.738 -0.020 0.000 0.898 308 Q HN 0.423 nan 8.270 nan 0.000 0.426 309 V N 0.981 120.952 119.914 0.095 0.000 2.358 309 V HA -0.266 3.853 4.120 -0.000 0.000 0.246 309 V C 2.282 178.487 176.094 0.186 0.000 1.047 309 V CA 1.403 63.834 62.300 0.220 0.000 1.035 309 V CB -0.446 31.572 31.823 0.326 0.000 0.658 309 V HN 0.383 nan 8.190 nan 0.000 0.452 310 L N -0.641 120.597 121.223 0.024 0.000 2.093 310 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 310 L C 2.664 179.490 176.870 -0.073 0.000 1.085 310 L CA 1.524 56.291 54.840 -0.121 0.000 0.755 310 L CB -0.616 41.298 42.059 -0.242 0.000 0.904 310 L HN 0.373 nan 8.230 nan 0.000 0.435 311 Q N -0.192 119.584 119.800 -0.040 0.000 2.050 311 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 311 Q C 2.036 178.023 176.000 -0.020 0.000 0.980 311 Q CA 1.403 57.187 55.803 -0.032 0.000 0.840 311 Q CB -0.142 28.578 28.738 -0.031 0.000 0.898 311 Q HN 0.501 nan 8.270 nan 0.000 0.424 312 N N 0.363 119.072 118.700 0.016 0.000 2.244 312 N HA -0.123 4.616 4.740 -0.000 0.000 0.183 312 N C 1.717 177.107 175.510 -0.200 0.000 1.016 312 N CA 0.873 53.938 53.050 0.025 0.000 0.866 312 N CB -0.091 38.489 38.487 0.156 0.000 0.980 312 N HN 0.289 nan 8.380 nan 0.000 0.430 313 M N 0.754 120.197 119.600 -0.260 0.000 2.067 313 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 313 M C 1.785 177.831 176.300 -0.423 0.000 1.069 313 M CA 1.423 56.348 55.300 -0.624 0.000 1.117 313 M CB 0.037 32.458 32.600 -0.297 0.000 1.334 313 M HN -0.148 nan 8.290 nan 0.000 0.407 314 V N -0.222 119.556 119.914 -0.226 0.000 2.515 314 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 314 V C 2.331 178.338 176.094 -0.144 0.000 1.058 314 V CA 2.179 64.369 62.300 -0.184 0.000 1.064 314 V CB -1.252 30.487 31.823 -0.140 0.000 0.675 314 V HN 0.608 nan 8.190 nan 0.000 0.461 315 H N -0.512 118.439 119.070 -0.198 0.000 2.389 315 H HA -0.163 4.393 4.556 0.000 0.000 0.299 315 H C 2.232 177.457 175.328 -0.170 0.000 1.081 315 H CA 2.142 58.114 56.048 -0.126 0.000 1.345 315 H CB -0.534 29.184 29.762 -0.072 0.000 1.393 315 H HN 0.399 nan 8.280 nan 0.000 0.520 316 C N 0.271 119.322 119.300 -0.416 0.000 2.446 316 C HA 0.025 4.485 4.460 -0.000 0.000 0.277 316 C C 3.100 178.003 174.990 -0.146 0.000 1.275 316 C CA 0.980 59.613 59.018 -0.643 0.000 1.727 316 C CB -1.302 25.611 27.740 -1.378 0.000 2.010 316 C HN 0.783 nan 8.230 nan 0.000 0.486 317 A N 0.268 123.002 122.820 -0.144 0.000 1.902 317 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 317 A C 1.876 179.414 177.584 -0.075 0.000 1.181 317 A CA 2.282 54.308 52.037 -0.019 0.000 0.623 317 A CB -0.690 18.241 19.000 -0.116 0.000 0.818 317 A HN 0.555 nan 8.150 nan 0.000 0.443 318 D N -0.377 119.953 120.400 -0.116 0.000 2.178 318 D HA -0.058 4.582 4.640 -0.000 0.000 0.201 318 D C 1.065 177.409 176.300 0.073 0.000 0.980 318 D CA 0.862 54.850 54.000 -0.019 0.000 0.842 318 D CB -0.108 40.704 40.800 0.019 0.000 0.948 318 D HN 0.391 nan 8.370 nan 0.000 0.472 319 L N 0.388 121.619 121.223 0.013 0.000 3.034 319 L HA 0.201 4.541 4.340 -0.000 0.000 0.245 319 L C 1.260 178.256 176.870 0.211 0.000 1.295 319 L CA -0.070 54.818 54.840 0.080 0.000 1.068 319 L CB 0.296 42.309 42.059 -0.076 0.000 1.426 319 L HN -0.006 nan 8.230 nan 0.000 0.531 320 S N -3.295 112.495 115.700 0.149 0.000 2.535 320 S HA 0.004 4.474 4.470 -0.000 0.000 0.214 320 S C 1.203 175.721 174.600 -0.137 0.000 0.980 320 S CA -0.163 58.108 58.200 0.119 0.000 0.907 320 S CB -0.227 63.080 63.200 0.178 0.000 0.790 320 S HN 0.506 nan 8.310 nan 0.000 0.510 321 N N 3.055 121.660 118.700 -0.158 0.000 2.061 321 N HA -0.077 4.663 4.740 -0.000 0.000 0.193 321 N C -1.333 173.970 175.510 -0.344 0.000 1.030 321 N CA 1.565 54.519 53.050 -0.160 0.000 0.856 321 N CB -0.976 37.515 38.487 0.006 0.000 1.023 321 N HN 0.422 nan 8.380 nan 0.000 0.424 322 P HA -0.068 nan 4.420 nan 0.000 0.234 322 P C 0.923 177.859 177.300 -0.606 0.000 1.167 322 P CA 1.150 63.517 63.100 -1.222 0.000 0.763 322 P CB -0.037 31.236 31.700 -0.712 0.000 0.835 323 T N -5.278 109.037 114.554 -0.398 0.000 3.086 323 T HA 0.156 4.505 4.350 -0.000 0.000 0.250 323 T C 0.826 175.520 174.700 -0.010 0.000 1.074 323 T CA -0.096 61.842 62.100 -0.270 0.000 0.988 323 T CB -0.206 68.351 68.868 -0.519 0.000 0.988 323 T HN -0.162 nan 8.240 nan 0.000 0.530 324 K N 2.073 122.436 120.400 -0.062 0.000 2.090 324 K HA 0.464 4.784 4.320 -0.000 0.000 0.249 324 K C -2.818 173.811 176.600 0.049 0.000 0.995 324 K CA -2.758 53.517 56.287 -0.019 0.000 0.914 324 K CB 0.386 32.848 32.500 -0.065 0.000 1.057 324 K HN 0.024 nan 8.250 nan 0.000 0.462 325 P HA -0.083 nan 4.420 nan 0.000 0.263 325 P C 0.930 178.247 177.300 0.029 0.000 1.175 325 P CA 0.012 63.123 63.100 0.017 0.000 0.761 325 P CB 0.384 32.074 31.700 -0.016 0.000 0.794 326 L N 3.837 125.048 121.223 -0.019 0.000 2.089 326 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 326 L C 2.229 179.020 176.870 -0.132 0.000 1.079 326 L CA 1.968 56.754 54.840 -0.090 0.000 0.758 326 L CB -1.050 40.792 42.059 -0.362 0.000 0.891 326 L HN 0.458 nan 8.230 nan 0.000 0.433 327 Q N -0.724 118.992 119.800 -0.140 0.000 2.224 327 Q HA -0.184 4.155 4.340 -0.000 0.000 0.203 327 Q C 2.046 177.967 176.000 -0.131 0.000 0.970 327 Q CA 1.944 57.656 55.803 -0.152 0.000 0.865 327 Q CB -0.711 27.953 28.738 -0.123 0.000 0.922 327 Q HN 0.617 nan 8.270 nan 0.000 0.445 328 L N -0.654 120.535 121.223 -0.056 0.000 2.102 328 L HA -0.052 4.288 4.340 -0.000 0.000 0.202 328 L C 2.596 179.601 176.870 0.225 0.000 1.076 328 L CA 0.920 55.776 54.840 0.028 0.000 0.761 328 L CB -0.752 41.347 42.059 0.068 0.000 0.921 328 L HN 0.070 nan 8.230 nan 0.000 0.444 329 Y N 1.752 122.149 120.300 0.163 0.000 2.128 329 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 329 Y C 2.686 178.729 175.900 0.240 0.000 1.154 329 Y CA 1.458 59.732 58.100 0.289 0.000 1.149 329 Y CB -0.461 38.127 38.460 0.213 0.000 0.976 329 Y HN 0.029 nan 8.280 nan 0.000 0.505 330 R N -0.160 120.346 120.500 0.010 0.000 2.120 330 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 330 R C 2.285 178.540 176.300 -0.074 0.000 1.123 330 R CA 1.684 57.724 56.100 -0.101 0.000 0.975 330 R CB -0.285 29.898 30.300 -0.196 0.000 0.866 330 R HN 0.551 nan 8.270 nan 0.000 0.446 331 Q N -0.796 118.899 119.800 -0.175 0.000 2.079 331 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 331 Q C 1.814 177.694 176.000 -0.199 0.000 0.974 331 Q CA 1.418 56.993 55.803 -0.381 0.000 0.840 331 Q CB -0.099 28.094 28.738 -0.907 0.000 0.898 331 Q HN 0.465 nan 8.270 nan 0.000 0.430 332 W N 0.507 121.893 121.300 0.142 0.000 2.363 332 W HA -0.161 4.498 4.660 -0.000 0.000 0.296 332 W C 2.400 179.012 176.519 0.154 0.000 1.212 332 W CA 1.077 58.580 57.345 0.264 0.000 1.260 332 W CB -0.183 29.504 29.460 0.378 0.000 1.131 332 W HN 0.087 nan 8.180 nan 0.000 0.530 333 T N -0.088 114.645 114.554 0.299 0.000 2.777 333 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 333 T C 1.063 175.750 174.700 -0.023 0.000 1.040 333 T CA 1.700 63.852 62.100 0.086 0.000 1.141 333 T CB -0.483 68.403 68.868 0.031 0.000 0.868 333 T HN 0.034 nan 8.240 nan 0.000 0.444 334 D N 0.993 121.383 120.400 -0.016 0.000 2.117 334 D HA -0.045 4.595 4.640 -0.000 0.000 0.197 334 D C 2.396 178.646 176.300 -0.082 0.000 0.987 334 D CA 1.009 54.973 54.000 -0.061 0.000 0.829 334 D CB -0.200 40.550 40.800 -0.084 0.000 0.961 334 D HN 0.326 nan 8.370 nan 0.000 0.460 335 R N -0.146 120.341 120.500 -0.022 0.000 2.066 335 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 335 R C 2.311 178.569 176.300 -0.071 0.000 1.131 335 R CA 0.521 56.633 56.100 0.019 0.000 0.955 335 R CB -0.309 30.090 30.300 0.166 0.000 0.851 335 R HN 0.124 nan 8.270 nan 0.000 0.432 336 I N 0.486 120.948 120.570 -0.182 0.000 2.394 336 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 336 I C 1.786 177.371 176.117 -0.886 0.000 1.136 336 I CA 1.419 62.287 61.300 -0.719 0.000 1.425 336 I CB 0.034 37.368 38.000 -1.109 0.000 1.079 336 I HN 0.123 nan 8.210 nan 0.000 0.425 337 M N -0.318 118.922 119.600 -0.601 0.000 2.175 337 M HA -0.183 4.297 4.480 -0.000 0.000 0.264 337 M C 2.212 178.067 176.300 -0.740 0.000 1.063 337 M CA 1.464 56.336 55.300 -0.714 0.000 1.119 337 M CB -1.395 30.861 32.600 -0.574 0.000 1.377 337 M HN 0.379 nan 8.290 nan 0.000 0.415 338 E N 0.395 120.378 120.200 -0.361 0.000 2.077 338 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 338 E C 1.952 178.494 176.600 -0.097 0.000 0.989 338 E CA 1.478 57.799 56.400 -0.132 0.000 0.800 338 E CB 0.020 29.689 29.700 -0.051 0.000 0.746 338 E HN 0.561 nan 8.360 nan 0.000 0.452 339 E N -0.735 119.365 120.200 -0.166 0.000 2.051 339 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 339 E C 1.828 178.434 176.600 0.010 0.000 0.991 339 E CA 1.164 57.511 56.400 -0.088 0.000 0.799 339 E CB -0.096 29.526 29.700 -0.130 0.000 0.748 339 E HN 0.250 nan 8.360 nan 0.000 0.449 340 F N 0.103 119.935 119.950 -0.197 0.000 2.095 340 F HA -0.182 4.344 4.527 -0.000 0.000 0.298 340 F C 2.134 177.924 175.800 -0.016 0.000 1.104 340 F CA 0.890 58.786 58.000 -0.173 0.000 1.232 340 F CB -1.038 37.779 39.000 -0.305 0.000 0.987 340 F HN 0.113 nan 8.300 nan 0.000 0.475 341 F N 0.431 120.463 119.950 0.138 0.000 2.171 341 F HA -0.153 4.374 4.527 -0.000 0.000 0.300 341 F C 2.434 178.236 175.800 0.002 0.000 1.090 341 F CA 0.913 58.933 58.000 0.033 0.000 1.293 341 F CB -1.394 37.603 39.000 -0.006 0.000 1.013 341 F HN -0.040 nan 8.300 nan 0.000 0.486 342 R N -0.137 120.475 120.500 0.186 0.000 2.096 342 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 342 R C 2.189 178.501 176.300 0.019 0.000 1.127 342 R CA 1.403 57.550 56.100 0.078 0.000 0.968 342 R CB -0.537 29.785 30.300 0.038 0.000 0.861 342 R HN 0.385 nan 8.270 nan 0.000 0.440 343 Q N 0.042 119.839 119.800 -0.005 0.000 2.119 343 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 343 Q C 2.013 178.008 176.000 -0.008 0.000 0.972 343 Q CA 1.604 57.323 55.803 -0.140 0.000 0.847 343 Q CB -0.123 28.514 28.738 -0.168 0.000 0.903 343 Q HN 0.410 nan 8.270 nan 0.000 0.433 344 G N 0.666 109.513 108.800 0.077 0.000 2.422 344 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 344 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 344 G C 0.961 175.911 174.900 0.083 0.000 1.146 344 G CA 1.010 46.167 45.100 0.096 0.000 0.769 344 G HN 0.376 nan 8.290 nan 0.000 0.547 345 D N 0.500 120.941 120.400 0.068 0.000 2.144 345 D HA -0.046 4.593 4.640 -0.000 0.000 0.199 345 D C 2.684 179.031 176.300 0.078 0.000 0.984 345 D CA 0.595 54.629 54.000 0.057 0.000 0.834 345 D CB -0.174 40.651 40.800 0.041 0.000 0.955 345 D HN 0.291 nan 8.370 nan 0.000 0.465 346 R N 0.573 121.127 120.500 0.091 0.000 2.090 346 R HA -0.021 4.319 4.340 -0.000 0.000 0.228 346 R C 2.155 178.587 176.300 0.220 0.000 1.110 346 R CA 0.779 56.971 56.100 0.152 0.000 0.973 346 R CB -0.031 30.366 30.300 0.161 0.000 0.869 346 R HN 0.316 nan 8.270 nan 0.000 0.440 347 E N 0.298 120.640 120.200 0.238 0.000 2.107 347 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 347 E C 2.055 178.723 176.600 0.113 0.000 0.982 347 E CA 0.654 57.179 56.400 0.209 0.000 0.809 347 E CB -0.038 29.784 29.700 0.203 0.000 0.756 347 E HN 0.214 nan 8.360 nan 0.000 0.459 348 R N 1.400 121.958 120.500 0.096 0.000 2.075 348 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 348 R C 2.111 178.447 176.300 0.061 0.000 1.126 348 R CA 1.476 57.618 56.100 0.070 0.000 0.963 348 R CB -0.023 30.319 30.300 0.071 0.000 0.858 348 R HN 0.089 nan 8.270 nan 0.000 0.435 349 E N -0.014 120.227 120.200 0.068 0.000 2.472 349 E HA -0.148 4.202 4.350 -0.000 0.000 0.200 349 E C 1.199 177.829 176.600 0.050 0.000 1.046 349 E CA 0.718 57.152 56.400 0.056 0.000 0.871 349 E CB 0.229 29.966 29.700 0.061 0.000 0.806 349 E HN 0.257 nan 8.360 nan 0.000 0.533 350 R N -1.438 119.095 120.500 0.055 0.000 2.397 350 R HA 0.163 4.503 4.340 -0.000 0.000 0.241 350 R C 0.921 177.232 176.300 0.018 0.000 0.914 350 R CA 0.479 56.598 56.100 0.033 0.000 1.071 350 R CB 0.970 31.288 30.300 0.030 0.000 1.116 350 R HN 0.211 nan 8.270 nan 0.000 0.524 351 G N 1.585 110.400 108.800 0.025 0.000 2.153 351 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 351 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 351 G C 0.132 175.039 174.900 0.012 0.000 0.994 351 G CA 0.356 45.466 45.100 0.016 0.000 0.698 351 G HN 0.168 nan 8.290 nan 0.000 0.521 352 M N 0.005 119.616 119.600 0.019 0.000 2.359 352 M HA 0.403 4.883 4.480 -0.000 0.000 0.322 352 M C 0.630 176.946 176.300 0.026 0.000 1.166 352 M CA -0.511 54.797 55.300 0.014 0.000 1.067 352 M CB 1.024 33.631 32.600 0.011 0.000 1.523 352 M HN 0.250 nan 8.290 nan 0.000 0.467 353 E N 2.015 122.226 120.200 0.018 0.000 2.324 353 E HA 0.170 4.519 4.350 -0.000 0.000 0.271 353 E C -1.013 175.607 176.600 0.033 0.000 1.028 353 E CA -0.297 56.115 56.400 0.020 0.000 0.890 353 E CB 0.571 30.276 29.700 0.010 0.000 1.004 353 E HN 0.476 nan 8.360 nan 0.000 0.431 354 I N 3.822 124.413 120.570 0.036 0.000 2.618 354 I HA -0.059 4.111 4.170 -0.000 0.000 0.284 354 I C 0.757 176.885 176.117 0.019 0.000 1.146 354 I CA 0.041 61.367 61.300 0.042 0.000 1.425 354 I CB 0.816 38.841 38.000 0.042 0.000 1.383 354 I HN 0.496 nan 8.210 nan 0.000 0.562 355 S N 7.929 123.638 115.700 0.015 0.000 2.580 355 S HA 0.105 4.575 4.470 -0.000 0.000 0.266 355 S C -2.015 172.536 174.600 -0.083 0.000 1.354 355 S CA -0.739 57.440 58.200 -0.034 0.000 1.008 355 S CB 0.075 63.244 63.200 -0.050 0.000 0.898 355 S HN 0.510 nan 8.310 nan 0.000 0.555 356 P HA 0.083 nan 4.420 nan 0.000 0.267 356 P C -0.106 177.057 177.300 -0.227 0.000 1.205 356 P CA 0.358 63.378 63.100 -0.134 0.000 0.765 356 P CB 0.169 31.792 31.700 -0.127 0.000 0.828 357 M N 0.326 119.851 119.600 -0.124 0.000 2.943 357 M HA -0.196 4.284 4.480 -0.000 0.000 0.198 357 M C 0.355 176.635 176.300 -0.032 0.000 0.606 357 M CA 0.726 55.972 55.300 -0.091 0.000 0.744 357 M CB -2.781 29.688 32.600 -0.218 0.000 2.671 357 M HN 0.326 nan 8.290 nan 0.000 0.342 358 C N -0.070 119.222 119.300 -0.013 0.000 3.038 358 C HA 0.193 4.653 4.460 -0.000 0.000 0.279 358 C C 0.955 176.095 174.990 0.251 0.000 1.276 358 C CA -0.278 58.821 59.018 0.136 0.000 1.697 358 C CB -0.271 27.468 27.740 -0.001 0.000 2.032 358 C HN 0.466 nan 8.230 nan 0.000 0.636 359 D N 1.728 122.221 120.400 0.155 0.000 2.396 359 D HA 0.088 4.727 4.640 -0.000 0.000 0.225 359 D C 1.127 177.324 176.300 -0.172 0.000 1.121 359 D CA 0.002 54.011 54.000 0.015 0.000 0.853 359 D CB 0.808 41.622 40.800 0.023 0.000 1.043 359 D HN 0.495 nan 8.370 nan 0.000 0.500 360 K N 2.962 122.991 120.400 -0.618 0.000 2.442 360 K HA -0.099 4.221 4.320 -0.000 0.000 0.198 360 K C 0.618 176.811 176.600 -0.678 0.000 1.042 360 K CA 0.860 56.405 56.287 -1.237 0.000 0.958 360 K CB 0.093 31.688 32.500 -1.507 0.000 0.766 360 K HN 0.387 nan 8.250 nan 0.000 0.474 361 H N 0.419 119.348 119.070 -0.236 0.000 2.539 361 H HA 0.156 4.712 4.556 -0.000 0.000 0.269 361 H C 0.090 175.370 175.328 -0.081 0.000 0.980 361 H CA 0.171 56.138 56.048 -0.135 0.000 1.152 361 H CB 0.428 30.134 29.762 -0.094 0.000 1.407 361 H HN 0.295 nan 8.280 nan 0.000 0.564 362 N N 0.640 119.346 118.700 0.009 0.000 2.605 362 N HA 0.146 4.885 4.740 -0.000 0.000 0.265 362 N C -1.273 174.259 175.510 0.036 0.000 1.625 362 N CA 0.069 53.136 53.050 0.028 0.000 0.862 362 N CB 0.455 38.964 38.487 0.036 0.000 1.415 362 N HN 0.092 nan 8.380 nan 0.000 0.513 363 A N -0.018 122.827 122.820 0.042 0.000 2.325 363 A HA 0.751 5.071 4.320 -0.000 0.000 0.333 363 A C -0.204 177.445 177.584 0.108 0.000 1.155 363 A CA -0.388 51.723 52.037 0.124 0.000 0.814 363 A CB 0.935 20.104 19.000 0.282 0.000 1.206 363 A HN 0.191 nan 8.150 nan 0.000 0.482 364 S N 1.798 117.561 115.700 0.105 0.000 2.158 364 S HA 0.223 4.692 4.470 -0.000 0.000 0.160 364 S C 1.041 175.693 174.600 0.087 0.000 1.693 364 S CA -0.507 57.742 58.200 0.082 0.000 1.251 364 S CB 0.713 63.947 63.200 0.057 0.000 1.153 364 S HN 0.523 nan 8.310 nan 0.000 0.439 365 V N 1.947 121.928 119.914 0.112 0.000 2.278 365 V HA -0.262 3.858 4.120 -0.000 0.000 0.251 365 V C 2.246 178.372 176.094 0.054 0.000 1.062 365 V CA 2.081 64.434 62.300 0.088 0.000 1.038 365 V CB -0.517 31.379 31.823 0.121 0.000 0.646 365 V HN 0.543 nan 8.190 nan 0.000 0.447 366 E N 0.094 120.361 120.200 0.112 0.000 2.051 366 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 366 E C 2.241 178.888 176.600 0.078 0.000 0.991 366 E CA 1.119 57.614 56.400 0.158 0.000 0.799 366 E CB -0.306 29.504 29.700 0.184 0.000 0.748 366 E HN 0.542 nan 8.360 nan 0.000 0.449 367 K N 0.245 120.686 120.400 0.069 0.000 2.148 367 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 367 K C 2.259 178.898 176.600 0.064 0.000 1.050 367 K CA 1.122 57.449 56.287 0.067 0.000 0.942 367 K CB -0.070 32.465 32.500 0.057 0.000 0.724 367 K HN -0.027 nan 8.250 nan 0.000 0.446 368 S N 1.036 116.762 115.700 0.044 0.000 2.383 368 S HA -0.095 4.374 4.470 -0.000 0.000 0.227 368 S C 1.854 176.494 174.600 0.067 0.000 1.026 368 S CA 0.941 59.167 58.200 0.043 0.000 0.981 368 S CB -0.017 63.194 63.200 0.020 0.000 0.818 368 S HN 0.254 nan 8.310 nan 0.000 0.472 369 Q N 0.700 120.489 119.800 -0.019 0.000 2.123 369 Q HA 0.034 4.374 4.340 -0.000 0.000 0.199 369 Q C 2.388 178.464 176.000 0.126 0.000 0.966 369 Q CA 0.858 56.650 55.803 -0.017 0.000 0.845 369 Q CB -0.694 27.697 28.738 -0.578 0.000 0.907 369 Q HN 0.416 nan 8.270 nan 0.000 0.439 370 V N 0.318 120.293 119.914 0.102 0.000 2.343 370 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 370 V C 2.281 178.498 176.094 0.206 0.000 1.051 370 V CA 1.926 64.322 62.300 0.160 0.000 1.036 370 V CB -1.114 30.794 31.823 0.142 0.000 0.654 370 V HN 0.417 nan 8.190 nan 0.000 0.451 371 G N -0.763 108.173 108.800 0.226 0.000 2.404 371 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.215 371 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.215 371 G C 1.532 176.667 174.900 0.392 0.000 1.174 371 G CA 0.908 46.201 45.100 0.322 0.000 0.780 371 G HN 0.446 nan 8.290 nan 0.000 0.537 372 F N 1.719 121.750 119.950 0.135 0.000 2.091 372 F HA -0.074 4.452 4.527 -0.000 0.000 0.299 372 F C 2.433 178.321 175.800 0.146 0.000 1.103 372 F CA 1.108 59.177 58.000 0.116 0.000 1.228 372 F CB -0.392 38.653 39.000 0.075 0.000 0.984 372 F HN 0.128 nan 8.300 nan 0.000 0.477 373 I N -0.043 120.572 120.570 0.075 0.000 2.202 373 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 373 I C 2.090 178.239 176.117 0.053 0.000 1.091 373 I CA 1.563 62.845 61.300 -0.029 0.000 1.368 373 I CB -0.642 37.407 38.000 0.081 0.000 1.058 373 I HN 0.030 nan 8.210 nan 0.000 0.410 374 D N 0.172 120.625 120.400 0.089 0.000 2.144 374 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 374 D C 1.919 178.148 176.300 -0.118 0.000 0.984 374 D CA 1.741 55.718 54.000 -0.038 0.000 0.834 374 D CB -0.171 40.570 40.800 -0.099 0.000 0.955 374 D HN 0.399 nan 8.370 nan 0.000 0.465 375 Y N -0.764 119.578 120.300 0.071 0.000 2.509 375 Y HA 0.143 4.693 4.550 -0.000 0.000 0.270 375 Y C 1.920 177.873 175.900 0.089 0.000 1.103 375 Y CA 0.071 58.223 58.100 0.087 0.000 1.278 375 Y CB 0.639 39.155 38.460 0.093 0.000 1.087 375 Y HN -0.074 nan 8.280 nan 0.000 0.542 376 I N -2.328 118.330 120.570 0.146 0.000 3.623 376 I HA -0.009 4.161 4.170 -0.000 0.000 0.253 376 I C 1.947 178.024 176.117 -0.066 0.000 1.144 376 I CA 0.513 61.807 61.300 -0.010 0.000 1.461 376 I CB -0.906 37.013 38.000 -0.135 0.000 1.575 376 I HN -0.143 nan 8.210 nan 0.000 0.445 377 V N 1.561 121.319 119.914 -0.261 0.000 2.307 377 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 377 V C 2.579 178.741 176.094 0.113 0.000 1.045 377 V CA 2.082 64.288 62.300 -0.157 0.000 1.024 377 V CB -1.024 30.539 31.823 -0.433 0.000 0.651 377 V HN 0.471 nan 8.190 nan 0.000 0.449 378 H N 0.763 119.846 119.070 0.023 0.000 2.357 378 H HA -0.074 4.482 4.556 -0.000 0.000 0.301 378 H C -0.032 175.366 175.328 0.116 0.000 1.082 378 H CA 1.940 58.040 56.048 0.087 0.000 1.342 378 H CB -0.875 28.907 29.762 0.034 0.000 1.389 378 H HN 0.320 nan 8.280 nan 0.000 0.511 379 P HA -0.150 nan 4.420 nan 0.000 0.215 379 P C 1.916 179.282 177.300 0.111 0.000 1.153 379 P CA 0.910 64.111 63.100 0.168 0.000 0.853 379 P CB -0.126 31.678 31.700 0.174 0.000 0.788 380 L N -1.790 119.508 121.223 0.125 0.000 2.005 380 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 380 L C 2.044 178.886 176.870 -0.047 0.000 1.072 380 L CA 1.783 56.651 54.840 0.046 0.000 0.744 380 L CB -1.445 40.640 42.059 0.043 0.000 0.895 380 L HN -0.050 nan 8.230 nan 0.000 0.433 381 W N 0.359 121.636 121.300 -0.039 0.000 2.425 381 W HA -0.112 4.548 4.660 0.000 0.000 0.277 381 W C 2.644 179.119 176.519 -0.073 0.000 1.231 381 W CA 1.400 58.715 57.345 -0.050 0.000 1.248 381 W CB -0.063 29.316 29.460 -0.135 0.000 1.117 381 W HN 0.323 nan 8.180 nan 0.000 0.568 382 E N -0.437 119.765 120.200 0.004 0.000 2.106 382 E HA -0.181 4.168 4.350 -0.000 0.000 0.192 382 E C 1.810 178.433 176.600 0.039 0.000 0.984 382 E CA 1.849 58.220 56.400 -0.048 0.000 0.806 382 E CB -0.075 29.571 29.700 -0.090 0.000 0.750 382 E HN 0.089 nan 8.360 nan 0.000 0.458 383 T N 0.621 115.203 114.554 0.046 0.000 2.812 383 T HA -0.152 4.198 4.350 -0.000 0.000 0.264 383 T C 1.233 175.949 174.700 0.026 0.000 1.042 383 T CA 0.970 63.089 62.100 0.031 0.000 1.140 383 T CB -0.419 68.466 68.868 0.028 0.000 0.870 383 T HN 0.426 nan 8.240 nan 0.000 0.445 384 W N 2.223 123.448 121.300 -0.124 0.000 2.358 384 W HA -0.113 4.547 4.660 -0.001 0.000 0.303 384 W C 2.484 178.968 176.519 -0.058 0.000 1.208 384 W CA 1.247 58.500 57.345 -0.154 0.000 1.274 384 W CB -0.521 28.717 29.460 -0.371 0.000 1.138 384 W HN 0.299 nan 8.180 nan 0.000 0.515 385 A N 0.794 123.685 122.820 0.118 0.000 1.940 385 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 385 A C 1.689 179.256 177.584 -0.027 0.000 1.176 385 A CA 2.213 54.283 52.037 0.055 0.000 0.631 385 A CB -1.051 18.013 19.000 0.107 0.000 0.814 385 A HN 0.260 nan 8.150 nan 0.000 0.446 386 D N -0.625 119.764 120.400 -0.018 0.000 2.144 386 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 386 D C 1.834 178.073 176.300 -0.101 0.000 0.978 386 D CA 1.154 55.147 54.000 -0.012 0.000 0.833 386 D CB -0.343 40.444 40.800 -0.022 0.000 0.961 386 D HN 0.369 nan 8.370 nan 0.000 0.470 387 L N 0.783 121.866 121.223 -0.234 0.000 2.083 387 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 387 L C 1.785 178.447 176.870 -0.346 0.000 1.083 387 L CA 1.284 55.925 54.840 -0.332 0.000 0.752 387 L CB -0.003 41.735 42.059 -0.535 0.000 0.899 387 L HN 0.031 nan 8.230 nan 0.000 0.433 388 V N -3.642 116.035 119.914 -0.395 0.000 3.214 388 V HA 0.223 4.343 4.120 -0.000 0.000 0.330 388 V C 0.905 176.925 176.094 -0.123 0.000 1.403 388 V CA -0.735 61.397 62.300 -0.281 0.000 1.143 388 V CB -1.332 30.277 31.823 -0.357 0.000 1.098 388 V HN 0.338 nan 8.190 nan 0.000 0.463 389 H N 4.246 123.225 119.070 -0.153 0.000 3.115 389 H HA 0.103 4.659 4.556 -0.000 0.000 0.324 389 H C -1.706 173.577 175.328 -0.075 0.000 1.007 389 H CA 0.275 56.268 56.048 -0.093 0.000 1.385 389 H CB 1.815 31.530 29.762 -0.078 0.000 1.351 389 H HN 0.357 nan 8.280 nan 0.000 0.592 390 P HA 0.087 nan 4.420 nan 0.000 0.269 390 P C 0.265 177.368 177.300 -0.328 0.000 1.478 390 P CA -0.205 62.448 63.100 -0.746 0.000 1.045 390 P CB 0.487 31.792 31.700 -0.658 0.000 1.512 391 D N 2.030 122.320 120.400 -0.183 0.000 2.170 391 D HA -0.175 4.465 4.640 -0.000 0.000 0.193 391 D C 1.608 177.845 176.300 -0.105 0.000 1.004 391 D CA 1.836 55.770 54.000 -0.110 0.000 0.860 391 D CB -0.502 40.260 40.800 -0.062 0.000 0.931 391 D HN 0.257 nan 8.370 nan 0.000 0.448 392 A N -0.008 122.758 122.820 -0.090 0.000 2.460 392 A HA 0.106 4.426 4.320 -0.000 0.000 0.258 392 A C 1.724 179.244 177.584 -0.106 0.000 1.300 392 A CA -0.069 51.931 52.037 -0.063 0.000 0.913 392 A CB 0.125 19.213 19.000 0.146 0.000 1.031 392 A HN -0.032 nan 8.150 nan 0.000 0.512 393 Q N 1.097 120.811 119.800 -0.144 0.000 2.096 393 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 393 Q C 1.015 176.952 176.000 -0.106 0.000 0.982 393 Q CA 2.440 58.168 55.803 -0.125 0.000 0.850 393 Q CB -0.180 28.468 28.738 -0.149 0.000 0.901 393 Q HN 0.608 nan 8.270 nan 0.000 0.422 394 D N -0.478 119.848 120.400 -0.124 0.000 2.144 394 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 394 D C 1.892 178.096 176.300 -0.160 0.000 0.978 394 D CA 1.058 54.990 54.000 -0.112 0.000 0.833 394 D CB -0.116 40.626 40.800 -0.098 0.000 0.961 394 D HN 0.378 nan 8.370 nan 0.000 0.470 395 I N 0.344 120.746 120.570 -0.279 0.000 2.252 395 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 395 I C 2.315 178.244 176.117 -0.313 0.000 1.102 395 I CA 0.484 61.522 61.300 -0.437 0.000 1.385 395 I CB -0.064 37.460 38.000 -0.793 0.000 1.064 395 I HN -0.012 nan 8.210 nan 0.000 0.414 396 L N 0.711 121.815 121.223 -0.198 0.000 2.093 396 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 396 L C 1.927 178.769 176.870 -0.048 0.000 1.085 396 L CA 1.932 56.705 54.840 -0.112 0.000 0.755 396 L CB -0.717 41.320 42.059 -0.037 0.000 0.904 396 L HN 0.174 nan 8.230 nan 0.000 0.435 397 D N -1.261 119.114 120.400 -0.042 0.000 2.117 397 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 397 D C 2.028 178.331 176.300 0.006 0.000 0.987 397 D CA 1.769 55.769 54.000 -0.001 0.000 0.829 397 D CB -0.157 40.639 40.800 -0.008 0.000 0.961 397 D HN 0.344 nan 8.370 nan 0.000 0.460 398 T N 1.384 115.922 114.554 -0.026 0.000 2.746 398 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 398 T C 1.942 176.647 174.700 0.009 0.000 1.039 398 T CA 0.512 62.611 62.100 -0.002 0.000 1.142 398 T CB -0.318 68.547 68.868 -0.005 0.000 0.866 398 T HN 0.042 nan 8.240 nan 0.000 0.444 399 L N 1.526 122.719 121.223 -0.049 0.000 2.012 399 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 399 L C 2.243 179.168 176.870 0.092 0.000 1.073 399 L CA 1.847 56.665 54.840 -0.036 0.000 0.748 399 L CB -0.645 41.340 42.059 -0.124 0.000 0.891 399 L HN 0.260 nan 8.230 nan 0.000 0.431 400 E N -0.719 119.551 120.200 0.116 0.000 2.106 400 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 400 E C 1.768 178.447 176.600 0.132 0.000 0.984 400 E CA 1.177 57.661 56.400 0.139 0.000 0.806 400 E CB -0.133 29.647 29.700 0.133 0.000 0.750 400 E HN 0.558 nan 8.360 nan 0.000 0.458 401 D N 0.549 121.021 120.400 0.120 0.000 2.117 401 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 401 D C 1.623 178.054 176.300 0.219 0.000 0.982 401 D CA 0.751 54.835 54.000 0.139 0.000 0.828 401 D CB -0.279 40.581 40.800 0.100 0.000 0.967 401 D HN 0.066 nan 8.370 nan 0.000 0.464 402 N N 0.595 119.439 118.700 0.239 0.000 2.244 402 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 402 N C 1.754 177.579 175.510 0.525 0.000 1.016 402 N CA 0.376 53.666 53.050 0.401 0.000 0.866 402 N CB -0.127 38.630 38.487 0.450 0.000 0.980 402 N HN 0.138 nan 8.380 nan 0.000 0.430 403 R N 1.738 122.458 120.500 0.366 0.000 2.066 403 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 403 R C 1.820 178.290 176.300 0.284 0.000 1.131 403 R CA 1.234 57.529 56.100 0.325 0.000 0.955 403 R CB -0.348 30.066 30.300 0.190 0.000 0.851 403 R HN 0.395 nan 8.270 nan 0.000 0.432 404 E N -0.877 119.458 120.200 0.226 0.000 2.085 404 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 404 E C 1.823 178.534 176.600 0.186 0.000 0.994 404 E CA 1.544 58.044 56.400 0.168 0.000 0.801 404 E CB -0.423 29.361 29.700 0.140 0.000 0.743 404 E HN 0.446 nan 8.360 nan 0.000 0.453 405 W N 0.166 121.521 121.300 0.092 0.000 2.354 405 W HA -0.233 4.427 4.660 -0.000 0.000 0.315 405 W C 1.839 178.369 176.519 0.018 0.000 1.206 405 W CA 1.831 59.192 57.345 0.026 0.000 1.290 405 W CB -0.606 28.839 29.460 -0.025 0.000 1.152 405 W HN 0.140 nan 8.180 nan 0.000 0.489 406 Y N 0.655 121.080 120.300 0.208 0.000 2.224 406 Y HA -0.298 4.252 4.550 -0.000 0.000 0.289 406 Y C 2.677 178.499 175.900 -0.130 0.000 1.146 406 Y CA 2.336 60.426 58.100 -0.016 0.000 1.182 406 Y CB -1.106 37.484 38.460 0.217 0.000 0.983 406 Y HN 0.082 nan 8.280 nan 0.000 0.524 407 Q N 0.392 120.262 119.800 0.117 0.000 2.084 407 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 407 Q C 2.323 178.286 176.000 -0.062 0.000 0.978 407 Q CA 2.159 57.989 55.803 0.044 0.000 0.844 407 Q CB -0.564 28.212 28.738 0.064 0.000 0.898 407 Q HN 0.418 nan 8.270 nan 0.000 0.426 408 S N -1.168 114.445 115.700 -0.146 0.000 2.442 408 S HA -0.129 4.341 4.470 -0.000 0.000 0.236 408 S C 1.706 176.145 174.600 -0.269 0.000 1.007 408 S CA 1.315 59.396 58.200 -0.199 0.000 0.965 408 S CB -0.931 62.130 63.200 -0.232 0.000 0.773 408 S HN 0.571 nan 8.310 nan 0.000 0.504 409 T N -1.214 113.116 114.554 -0.373 0.000 3.169 409 T HA 0.384 4.734 4.350 -0.000 0.000 0.250 409 T C 1.378 175.986 174.700 -0.154 0.000 1.111 409 T CA -0.045 61.851 62.100 -0.339 0.000 1.010 409 T CB -0.522 68.036 68.868 -0.516 0.000 0.984 409 T HN 0.487 nan 8.240 nan 0.000 0.537 410 I N 0.614 121.125 120.570 -0.098 0.000 2.556 410 I HA 0.209 4.379 4.170 -0.000 0.000 0.251 410 I C -0.939 175.158 176.117 -0.033 0.000 1.105 410 I CA -0.684 60.593 61.300 -0.038 0.000 1.436 410 I CB -1.344 36.653 38.000 -0.004 0.000 1.139 410 I HN 0.218 nan 8.210 nan 0.000 0.438 411 P HA 0.000 nan 4.420 nan 0.000 0.216 411 P CA 0.000 63.083 63.100 -0.028 0.000 0.800 411 P CB 0.000 31.681 31.700 -0.032 0.000 0.726