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 1y2c_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 0.000 174.700 174.700 0.000 0.000 1.109 86 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 86 T CB 0.000 68.867 68.868 -0.001 0.000 0.612 87 E N 0.627 120.827 120.200 -0.000 0.000 2.110 87 E HA -0.239 4.154 4.350 0.073 0.000 0.193 87 E C 1.846 178.446 176.600 0.000 0.000 0.988 87 E CA 1.728 58.128 56.400 -0.000 0.000 0.804 87 E CB 0.076 29.775 29.700 -0.001 0.000 0.745 87 E HN 0.611 nan 8.360 nan 0.000 0.458 88 Q N 0.382 120.181 119.800 -0.001 0.000 2.061 88 Q HA -0.228 4.155 4.340 0.073 0.000 0.204 88 Q C 1.848 177.848 176.000 0.000 0.000 0.984 88 Q CA 2.019 57.822 55.803 -0.001 0.000 0.846 88 Q CB 0.051 28.787 28.738 -0.003 0.000 0.902 88 Q HN 0.353 nan 8.270 nan 0.000 0.421 89 E N 0.047 120.247 120.200 0.000 0.000 2.150 89 E HA -0.177 4.217 4.350 0.073 0.000 0.193 89 E C 1.620 178.221 176.600 0.003 0.000 0.985 89 E CA 1.089 57.490 56.400 0.002 0.000 0.814 89 E CB 0.064 29.766 29.700 0.003 0.000 0.752 89 E HN 0.389 nan 8.360 nan 0.000 0.466 90 D N -0.025 120.376 120.400 0.002 0.000 2.123 90 D HA -0.094 4.589 4.640 0.073 0.000 0.200 90 D C 1.980 178.281 176.300 0.001 0.000 0.976 90 D CA 0.667 54.668 54.000 0.002 0.000 0.831 90 D CB 0.013 40.814 40.800 0.002 0.000 0.974 90 D HN -0.018 nan 8.370 nan 0.000 0.469 91 V N 1.061 120.976 119.914 0.002 0.000 2.427 91 V HA -0.176 3.988 4.120 0.073 0.000 0.248 91 V C 2.400 178.495 176.094 0.003 0.000 1.051 91 V CA 0.865 63.168 62.300 0.004 0.000 1.048 91 V CB -0.340 31.488 31.823 0.008 0.000 0.666 91 V HN 0.159 nan 8.190 nan 0.000 0.456 92 L N 1.270 122.494 121.223 0.001 0.000 2.017 92 L HA -0.078 4.305 4.340 0.073 0.000 0.208 92 L C 2.472 179.338 176.870 -0.007 0.000 1.073 92 L CA 2.450 57.289 54.840 -0.002 0.000 0.745 92 L CB -1.067 40.991 42.059 -0.001 0.000 0.894 92 L HN 0.207 nan 8.230 nan 0.000 0.432 93 A N -0.548 122.269 122.820 -0.004 0.000 1.908 93 A HA -0.274 4.090 4.320 0.073 0.000 0.218 93 A C 2.362 179.938 177.584 -0.013 0.000 1.181 93 A CA 2.061 54.094 52.037 -0.007 0.000 0.627 93 A CB -0.647 18.352 19.000 -0.002 0.000 0.818 93 A HN 0.469 nan 8.150 nan 0.000 0.445 94 K N 0.055 120.449 120.400 -0.011 0.000 2.057 94 K HA -0.114 4.249 4.320 0.073 0.000 0.206 94 K C 1.852 178.433 176.600 -0.033 0.000 1.050 94 K CA 1.681 57.959 56.287 -0.016 0.000 0.935 94 K CB -0.193 32.302 32.500 -0.009 0.000 0.715 94 K HN 0.420 nan 8.250 nan 0.000 0.439 95 E N 0.420 120.601 120.200 -0.032 0.000 2.110 95 E HA -0.146 4.247 4.350 0.073 0.000 0.193 95 E C 1.956 178.513 176.600 -0.071 0.000 0.988 95 E CA 1.031 57.394 56.400 -0.062 0.000 0.804 95 E CB -0.163 29.521 29.700 -0.026 0.000 0.745 95 E HN 0.355 nan 8.360 nan 0.000 0.458 96 L N 0.979 122.175 121.223 -0.045 0.000 2.465 96 L HA -0.099 4.284 4.340 0.073 0.000 0.224 96 L C 2.018 178.866 176.870 -0.037 0.000 1.145 96 L CA 0.552 55.367 54.840 -0.042 0.000 0.834 96 L CB -0.228 41.811 42.059 -0.032 0.000 0.944 96 L HN 0.062 nan 8.230 nan 0.000 0.451 97 E N -0.064 120.114 120.200 -0.036 0.000 2.338 97 E HA -0.167 4.226 4.350 0.073 0.000 0.197 97 E C 0.550 177.138 176.600 -0.021 0.000 1.007 97 E CA 0.662 57.048 56.400 -0.024 0.000 0.849 97 E CB 0.042 29.729 29.700 -0.022 0.000 0.774 97 E HN 0.484 nan 8.360 nan 0.000 0.506 98 D N 0.498 120.870 120.400 -0.046 0.000 2.336 98 D HA -0.026 4.658 4.640 0.073 0.000 0.228 98 D C 1.421 177.718 176.300 -0.005 0.000 1.120 98 D CA 0.059 54.034 54.000 -0.043 0.000 0.839 98 D CB 0.614 41.343 40.800 -0.119 0.000 0.932 98 D HN -0.017 nan 8.370 nan 0.000 0.509 99 V N 1.098 121.019 119.914 0.012 0.000 2.720 99 V HA -0.199 3.965 4.120 0.073 0.000 0.256 99 V C 1.107 177.306 176.094 0.175 0.000 1.082 99 V CA 1.466 63.793 62.300 0.044 0.000 1.101 99 V CB -0.178 31.638 31.823 -0.012 0.000 0.693 99 V HN 0.144 nan 8.190 nan 0.000 0.479 100 N N 0.228 119.031 118.700 0.172 0.000 2.322 100 N HA 0.107 4.890 4.740 0.073 0.000 0.194 100 N C 0.162 175.755 175.510 0.137 0.000 1.126 100 N CA 0.308 53.472 53.050 0.191 0.000 0.845 100 N CB 0.157 38.727 38.487 0.139 0.000 0.976 100 N HN 0.560 nan 8.380 nan 0.000 0.475 101 K N -0.317 120.158 120.400 0.125 0.000 2.164 101 K HA 0.193 4.556 4.320 0.073 0.000 0.258 101 K C -0.563 176.152 176.600 0.193 0.000 0.951 101 K CA -0.705 55.664 56.287 0.138 0.000 0.844 101 K CB 1.897 34.443 32.500 0.077 0.000 1.099 101 K HN 0.068 nan 8.250 nan 0.000 0.435 102 W N 1.997 123.300 121.300 0.006 0.000 2.303 102 W HA 0.121 4.835 4.660 0.089 0.000 0.318 102 W C 0.460 176.986 176.519 0.012 0.000 1.362 102 W CA 1.179 58.524 57.345 -0.000 0.000 1.234 102 W CB 0.789 30.233 29.460 -0.025 0.000 1.248 102 W HN 0.981 nan 8.180 nan 0.000 0.546 103 G N 4.265 112.976 108.800 -0.148 0.000 2.138 103 G HA2 -0.288 3.716 3.960 0.073 0.000 0.193 103 G HA3 -0.288 3.716 3.960 0.073 0.000 0.193 103 G C -0.455 174.465 174.900 0.033 0.000 0.998 103 G CA -0.255 44.823 45.100 -0.037 0.000 0.668 103 G HN 0.590 nan 8.290 nan 0.000 0.516 104 L N 1.460 122.661 121.223 -0.036 0.000 2.543 104 L HA 0.294 4.677 4.340 0.073 0.000 0.285 104 L C 1.007 177.916 176.870 0.064 0.000 1.236 104 L CA 0.349 55.162 54.840 -0.045 0.000 0.871 104 L CB -0.019 41.999 42.059 -0.068 0.000 1.121 104 L HN 0.369 nan 8.230 nan 0.000 0.501 105 H N 4.529 123.577 119.070 -0.036 0.000 3.195 105 H HA 0.040 4.596 4.556 0.001 0.000 0.241 105 H C 1.188 176.475 175.328 -0.068 0.000 1.823 105 H CA -0.188 55.845 56.048 -0.026 0.000 1.466 105 H CB 0.386 30.143 29.762 -0.007 0.000 1.819 105 H HN 0.657 nan 8.280 nan 0.000 0.575 106 V N 1.849 121.735 119.914 -0.046 0.000 2.490 106 V HA -0.273 3.891 4.120 0.073 0.000 0.250 106 V C 1.422 177.350 176.094 -0.276 0.000 1.061 106 V CA 1.722 63.901 62.300 -0.203 0.000 1.064 106 V CB -0.484 31.165 31.823 -0.291 0.000 0.670 106 V HN 0.520 nan 8.190 nan 0.000 0.461 107 F N 0.334 120.226 119.950 -0.097 0.000 2.163 107 F HA -0.003 4.562 4.527 0.064 0.000 0.297 107 F C 2.528 178.271 175.800 -0.095 0.000 1.094 107 F CA 1.758 59.666 58.000 -0.154 0.000 1.290 107 F CB -0.726 38.126 39.000 -0.248 0.000 1.017 107 F HN 0.105 nan 8.300 nan 0.000 0.483 108 R N 1.009 121.575 120.500 0.110 0.000 2.081 108 R HA -0.094 4.290 4.340 0.073 0.000 0.235 108 R C 1.998 178.319 176.300 0.035 0.000 1.131 108 R CA 1.453 57.592 56.100 0.066 0.000 0.960 108 R CB -0.961 29.395 30.300 0.094 0.000 0.856 108 R HN 0.318 nan 8.270 nan 0.000 0.436 109 I N 0.177 120.757 120.570 0.017 0.000 2.286 109 I HA -0.231 3.983 4.170 0.073 0.000 0.248 109 I C 2.219 178.322 176.117 -0.024 0.000 1.115 109 I CA 1.309 62.602 61.300 -0.012 0.000 1.392 109 I CB -0.327 37.652 38.000 -0.034 0.000 1.065 109 I HN 0.283 nan 8.210 nan 0.000 0.418 110 A N 0.355 123.155 122.820 -0.033 0.000 1.933 110 A HA -0.220 4.143 4.320 0.073 0.000 0.218 110 A C 2.198 179.774 177.584 -0.014 0.000 1.175 110 A CA 1.674 53.691 52.037 -0.033 0.000 0.628 110 A CB -0.505 18.474 19.000 -0.035 0.000 0.814 110 A HN 0.441 nan 8.150 nan 0.000 0.444 111 E N -0.162 120.038 120.200 0.000 0.000 2.047 111 E HA -0.105 4.289 4.350 0.073 0.000 0.191 111 E C 1.874 178.470 176.600 -0.007 0.000 0.987 111 E CA 1.155 57.554 56.400 -0.003 0.000 0.799 111 E CB -0.286 29.414 29.700 -0.000 0.000 0.752 111 E HN 0.601 nan 8.360 nan 0.000 0.449 112 L N 0.984 122.205 121.223 -0.004 0.000 2.275 112 L HA -0.098 4.285 4.340 0.073 0.000 0.215 112 L C 2.234 179.099 176.870 -0.008 0.000 1.119 112 L CA 0.974 55.812 54.840 -0.004 0.000 0.790 112 L CB -0.220 41.840 42.059 0.001 0.000 0.919 112 L HN 0.153 nan 8.230 nan 0.000 0.443 113 S N -1.071 114.621 115.700 -0.013 0.000 2.577 113 S HA 0.240 4.754 4.470 0.073 0.000 0.219 113 S C 1.299 175.887 174.600 -0.019 0.000 0.962 113 S CA 0.179 58.369 58.200 -0.017 0.000 0.921 113 S CB 0.441 63.627 63.200 -0.022 0.000 0.789 113 S HN 0.448 nan 8.310 nan 0.000 0.497 114 G N 2.174 110.964 108.800 -0.017 0.000 2.272 114 G HA2 -0.315 3.688 3.960 0.073 0.000 0.280 114 G HA3 -0.315 3.688 3.960 0.073 0.000 0.280 114 G C 0.184 175.071 174.900 -0.021 0.000 1.067 114 G CA -0.001 45.088 45.100 -0.018 0.000 0.902 114 G HN 0.896 nan 8.290 nan 0.000 0.500 115 N N -1.461 117.226 118.700 -0.022 0.000 2.758 115 N HA -0.180 4.604 4.740 0.073 0.000 0.248 115 N C 0.792 176.281 175.510 -0.035 0.000 1.076 115 N CA 1.450 54.485 53.050 -0.026 0.000 0.696 115 N CB -0.324 38.152 38.487 -0.018 0.000 0.979 115 N HN 0.672 nan 8.380 nan 0.000 0.550 116 R N -0.395 120.081 120.500 -0.041 0.000 2.816 116 R HA 0.263 4.647 4.340 0.073 0.000 0.382 116 R C -1.673 174.590 176.300 -0.061 0.000 1.140 116 R CA -1.028 55.042 56.100 -0.051 0.000 1.050 116 R CB 0.581 30.855 30.300 -0.044 0.000 1.396 116 R HN 0.341 nan 8.270 nan 0.000 0.583 117 P HA -0.159 nan 4.420 nan 0.000 0.217 117 P C 1.402 178.641 177.300 -0.102 0.000 1.150 117 P CA 0.608 63.655 63.100 -0.088 0.000 0.832 117 P CB 0.419 32.051 31.700 -0.113 0.000 0.787 118 L N 0.014 121.161 121.223 -0.127 0.000 2.046 118 L HA -0.081 4.302 4.340 0.073 0.000 0.208 118 L C 2.307 179.119 176.870 -0.096 0.000 1.077 118 L CA 2.246 57.003 54.840 -0.138 0.000 0.747 118 L CB -1.732 40.212 42.059 -0.191 0.000 0.896 118 L HN -0.078 nan 8.230 nan 0.000 0.432 119 T N -0.708 113.795 114.554 -0.085 0.000 2.674 119 T HA -0.163 4.231 4.350 0.073 0.000 0.265 119 T C 1.937 176.618 174.700 -0.032 0.000 1.039 119 T CA 2.066 64.123 62.100 -0.073 0.000 1.150 119 T CB -0.533 68.289 68.868 -0.077 0.000 0.864 119 T HN 0.397 nan 8.240 nan 0.000 0.427 120 V N 0.011 119.913 119.914 -0.021 0.000 2.427 120 V HA -0.021 4.143 4.120 0.073 0.000 0.248 120 V C 2.224 178.326 176.094 0.014 0.000 1.051 120 V CA 1.353 63.665 62.300 0.020 0.000 1.048 120 V CB -0.976 30.850 31.823 0.004 0.000 0.666 120 V HN 0.459 nan 8.190 nan 0.000 0.456 121 I N -0.699 119.855 120.570 -0.026 0.000 2.286 121 I HA -0.124 4.090 4.170 0.073 0.000 0.245 121 I C 2.845 178.952 176.117 -0.018 0.000 1.104 121 I CA 1.573 62.849 61.300 -0.040 0.000 1.397 121 I CB -0.263 37.697 38.000 -0.067 0.000 1.072 121 I HN 0.239 nan 8.210 nan 0.000 0.417 122 M N -0.362 119.234 119.600 -0.007 0.000 2.117 122 M HA -0.252 4.272 4.480 0.073 0.000 0.262 122 M C 2.427 178.762 176.300 0.059 0.000 1.065 122 M CA 1.802 57.116 55.300 0.023 0.000 1.114 122 M CB -1.432 31.120 32.600 -0.079 0.000 1.361 122 M HN 0.390 nan 8.290 nan 0.000 0.408 123 H N -0.438 118.581 119.070 -0.085 0.000 2.321 123 H HA -0.131 4.469 4.556 0.073 0.000 0.300 123 H C 1.623 176.977 175.328 0.043 0.000 1.087 123 H CA 1.969 57.989 56.048 -0.046 0.000 1.319 123 H CB 0.385 30.114 29.762 -0.054 0.000 1.379 123 H HN 0.267 nan 8.280 nan 0.000 0.501 124 T N 1.169 115.683 114.554 -0.067 0.000 2.684 124 T HA -0.147 4.247 4.350 0.073 0.000 0.267 124 T C 2.201 176.849 174.700 -0.087 0.000 1.036 124 T CA 1.551 63.573 62.100 -0.130 0.000 1.148 124 T CB -0.218 68.600 68.868 -0.083 0.000 0.863 124 T HN 0.296 nan 8.240 nan 0.000 0.436 125 I N -0.135 120.405 120.570 -0.049 0.000 2.315 125 I HA -0.099 4.115 4.170 0.073 0.000 0.248 125 I C 1.971 178.135 176.117 0.078 0.000 1.117 125 I CA 1.125 62.357 61.300 -0.114 0.000 1.404 125 I CB -0.293 37.594 38.000 -0.188 0.000 1.071 125 I HN 0.137 nan 8.210 nan 0.000 0.419 126 F N 0.942 120.870 119.950 -0.037 0.000 2.171 126 F HA -0.210 4.358 4.527 0.068 0.000 0.300 126 F C 2.684 178.489 175.800 0.008 0.000 1.090 126 F CA 1.278 59.299 58.000 0.035 0.000 1.293 126 F CB -0.533 38.523 39.000 0.093 0.000 1.013 126 F HN 0.102 nan 8.300 nan 0.000 0.486 127 Q N -0.219 119.639 119.800 0.096 0.000 2.083 127 Q HA -0.197 4.186 4.340 0.073 0.000 0.198 127 Q C 2.178 178.183 176.000 0.008 0.000 0.969 127 Q CA 1.422 57.227 55.803 0.002 0.000 0.838 127 Q CB -0.521 28.133 28.738 -0.140 0.000 0.900 127 Q HN 0.421 nan 8.270 nan 0.000 0.436 128 E N 1.222 121.422 120.200 0.001 0.000 2.110 128 E HA -0.137 4.257 4.350 0.073 0.000 0.193 128 E C 1.357 177.990 176.600 0.055 0.000 0.988 128 E CA 1.131 57.546 56.400 0.025 0.000 0.804 128 E CB 0.090 29.806 29.700 0.026 0.000 0.745 128 E HN 0.139 nan 8.360 nan 0.000 0.458 129 R N -0.021 120.510 120.500 0.051 0.000 2.334 129 R HA 0.058 4.441 4.340 0.073 0.000 0.220 129 R C -0.015 176.300 176.300 0.025 0.000 0.917 129 R CA 0.602 56.733 56.100 0.050 0.000 1.073 129 R CB 0.184 30.509 30.300 0.042 0.000 1.056 129 R HN 0.109 nan 8.270 nan 0.000 0.506 130 D N 0.256 120.674 120.400 0.029 0.000 2.837 130 D HA -0.188 4.495 4.640 0.073 0.000 0.230 130 D C 0.519 176.840 176.300 0.035 0.000 1.152 130 D CA 0.493 54.510 54.000 0.029 0.000 0.736 130 D CB -0.992 39.814 40.800 0.011 0.000 1.084 130 D HN 0.268 nan 8.370 nan 0.000 0.429 131 L N -0.761 120.487 121.223 0.041 0.000 2.201 131 L HA -0.109 4.275 4.340 0.073 0.000 0.212 131 L C 2.370 179.378 176.870 0.231 0.000 1.105 131 L CA 0.585 55.478 54.840 0.088 0.000 0.775 131 L CB -0.215 41.697 42.059 -0.245 0.000 0.913 131 L HN 0.190 nan 8.230 nan 0.000 0.440 132 L N -0.447 120.916 121.223 0.233 0.000 2.056 132 L HA -0.177 4.207 4.340 0.073 0.000 0.207 132 L C 2.547 179.508 176.870 0.151 0.000 1.078 132 L CA 1.597 56.581 54.840 0.241 0.000 0.749 132 L CB -0.521 41.671 42.059 0.221 0.000 0.901 132 L HN 0.097 nan 8.230 nan 0.000 0.433 133 K N -0.929 119.524 120.400 0.088 0.000 2.031 133 K HA -0.078 4.285 4.320 0.073 0.000 0.205 133 K C 2.135 178.721 176.600 -0.023 0.000 1.049 133 K CA 1.678 57.986 56.287 0.034 0.000 0.939 133 K CB -0.443 32.066 32.500 0.015 0.000 0.717 133 K HN 0.236 nan 8.250 nan 0.000 0.438 134 T N 0.881 115.382 114.554 -0.089 0.000 2.684 134 T HA -0.125 4.269 4.350 0.073 0.000 0.267 134 T C 1.144 175.570 174.700 -0.457 0.000 1.036 134 T CA 1.416 63.323 62.100 -0.322 0.000 1.148 134 T CB -0.161 68.421 68.868 -0.477 0.000 0.863 134 T HN 0.088 nan 8.240 nan 0.000 0.436 135 F N 0.921 120.900 119.950 0.049 0.000 2.641 135 F HA 0.389 4.958 4.527 0.071 0.000 0.302 135 F C 0.758 176.600 175.800 0.069 0.000 1.098 135 F CA -0.621 57.418 58.000 0.066 0.000 1.318 135 F CB -0.267 38.791 39.000 0.098 0.000 1.035 135 F HN -0.070 nan 8.300 nan 0.000 0.551 136 K N 1.154 121.647 120.400 0.155 0.000 3.278 136 K HA -0.216 4.147 4.320 0.073 0.000 0.270 136 K C -0.423 176.256 176.600 0.131 0.000 0.955 136 K CA 0.377 56.734 56.287 0.115 0.000 0.723 136 K CB -1.971 30.580 32.500 0.084 0.000 1.382 136 K HN 0.359 nan 8.250 nan 0.000 0.461 137 I N 1.583 122.249 120.570 0.161 0.000 2.301 137 I HA 0.149 4.363 4.170 0.073 0.000 0.292 137 I C -1.872 174.301 176.117 0.094 0.000 1.046 137 I CA -2.412 58.965 61.300 0.128 0.000 1.282 137 I CB 0.544 38.653 38.000 0.182 0.000 1.409 137 I HN -0.108 nan 8.210 nan 0.000 0.484 138 P HA -0.025 nan 4.420 nan 0.000 0.267 138 P C 0.890 178.211 177.300 0.034 0.000 1.205 138 P CA 0.007 63.132 63.100 0.041 0.000 0.765 138 P CB 1.101 32.815 31.700 0.023 0.000 0.828 139 V N 3.428 123.367 119.914 0.041 0.000 2.392 139 V HA -0.244 3.920 4.120 0.073 0.000 0.249 139 V C 1.803 177.875 176.094 -0.037 0.000 1.059 139 V CA 2.625 64.940 62.300 0.025 0.000 1.051 139 V CB -0.854 31.002 31.823 0.054 0.000 0.658 139 V HN 0.685 nan 8.190 nan 0.000 0.455 140 D N -1.630 118.755 120.400 -0.025 0.000 2.144 140 D HA -0.180 4.503 4.640 0.073 0.000 0.199 140 D C 1.903 178.183 176.300 -0.034 0.000 0.984 140 D CA 1.883 55.861 54.000 -0.037 0.000 0.834 140 D CB -0.738 40.051 40.800 -0.020 0.000 0.955 140 D HN 0.471 nan 8.370 nan 0.000 0.465 141 T N 1.047 115.588 114.554 -0.022 0.000 2.777 141 T HA -0.093 4.301 4.350 0.073 0.000 0.266 141 T C 1.925 176.609 174.700 -0.026 0.000 1.040 141 T CA 0.939 63.027 62.100 -0.020 0.000 1.141 141 T CB -0.340 68.513 68.868 -0.026 0.000 0.868 141 T HN 0.079 nan 8.240 nan 0.000 0.444 142 L N 1.207 122.399 121.223 -0.052 0.000 2.017 142 L HA -0.025 4.359 4.340 0.073 0.000 0.208 142 L C 2.042 178.860 176.870 -0.086 0.000 1.073 142 L CA 1.596 56.384 54.840 -0.086 0.000 0.745 142 L CB -0.663 41.329 42.059 -0.112 0.000 0.894 142 L HN 0.137 nan 8.230 nan 0.000 0.432 143 I N -0.621 119.873 120.570 -0.127 0.000 2.252 143 I HA -0.230 3.984 4.170 0.073 0.000 0.245 143 I C 2.365 178.432 176.117 -0.084 0.000 1.102 143 I CA 1.555 62.766 61.300 -0.149 0.000 1.385 143 I CB -1.897 35.987 38.000 -0.194 0.000 1.064 143 I HN 0.297 nan 8.210 nan 0.000 0.414 144 T N 0.399 114.927 114.554 -0.044 0.000 2.746 144 T HA -0.238 4.156 4.350 0.073 0.000 0.267 144 T C 1.882 176.582 174.700 -0.001 0.000 1.039 144 T CA 1.521 63.610 62.100 -0.018 0.000 1.142 144 T CB -0.532 68.338 68.868 0.003 0.000 0.866 144 T HN 0.311 nan 8.240 nan 0.000 0.444 145 Y N 1.707 121.962 120.300 -0.075 0.000 2.145 145 Y HA -0.035 4.557 4.550 0.071 0.000 0.286 145 Y C 1.996 177.865 175.900 -0.052 0.000 1.145 145 Y CA 1.043 59.105 58.100 -0.063 0.000 1.148 145 Y CB -0.550 37.852 38.460 -0.098 0.000 0.981 145 Y HN 0.116 nan 8.280 nan 0.000 0.507 146 L N -0.597 120.536 121.223 -0.150 0.000 2.046 146 L HA -0.274 4.109 4.340 0.073 0.000 0.208 146 L C 2.532 179.283 176.870 -0.197 0.000 1.077 146 L CA 1.650 56.366 54.840 -0.207 0.000 0.747 146 L CB -0.506 41.479 42.059 -0.122 0.000 0.896 146 L HN 0.322 nan 8.230 nan 0.000 0.432 147 M N -1.184 118.332 119.600 -0.141 0.000 2.175 147 M HA -0.153 4.371 4.480 0.073 0.000 0.264 147 M C 2.273 178.523 176.300 -0.084 0.000 1.063 147 M CA 1.696 56.939 55.300 -0.096 0.000 1.119 147 M CB -0.595 31.962 32.600 -0.072 0.000 1.377 147 M HN 0.224 nan 8.290 nan 0.000 0.415 148 T N 1.342 115.828 114.554 -0.114 0.000 2.708 148 T HA -0.137 4.257 4.350 0.073 0.000 0.266 148 T C 1.720 176.409 174.700 -0.018 0.000 1.037 148 T CA 1.213 63.284 62.100 -0.050 0.000 1.146 148 T CB -0.348 68.472 68.868 -0.080 0.000 0.865 148 T HN 0.239 nan 8.240 nan 0.000 0.435 149 L N 1.417 122.464 121.223 -0.294 0.000 2.012 149 L HA -0.052 4.332 4.340 0.073 0.000 0.210 149 L C 2.422 179.324 176.870 0.053 0.000 1.073 149 L CA 1.991 56.682 54.840 -0.248 0.000 0.748 149 L CB -0.652 41.104 42.059 -0.506 0.000 0.891 149 L HN 0.271 nan 8.230 nan 0.000 0.431 150 E N -0.905 119.309 120.200 0.023 0.000 2.110 150 E HA -0.245 4.149 4.350 0.073 0.000 0.193 150 E C 1.630 178.310 176.600 0.133 0.000 0.988 150 E CA 1.326 57.787 56.400 0.101 0.000 0.804 150 E CB -0.044 29.644 29.700 -0.019 0.000 0.745 150 E HN 0.537 nan 8.360 nan 0.000 0.458 151 D N -0.544 119.892 120.400 0.059 0.000 2.263 151 D HA -0.127 4.556 4.640 0.073 0.000 0.208 151 D C 1.001 177.252 176.300 -0.082 0.000 0.971 151 D CA 0.986 54.973 54.000 -0.023 0.000 0.867 151 D CB -0.139 40.606 40.800 -0.091 0.000 0.929 151 D HN 0.387 nan 8.370 nan 0.000 0.492 152 H N -1.837 117.250 119.070 0.029 0.000 2.539 152 H HA 0.128 4.727 4.556 0.072 0.000 0.267 152 H C -0.263 175.083 175.328 0.029 0.000 0.982 152 H CA -0.001 56.053 56.048 0.008 0.000 1.146 152 H CB 0.005 29.727 29.762 -0.067 0.000 1.382 152 H HN 0.106 nan 8.280 nan 0.000 0.577 153 Y N 0.705 121.098 120.300 0.155 0.000 2.299 153 Y HA 0.126 4.724 4.550 0.079 0.000 0.326 153 Y C 0.551 176.595 175.900 0.239 0.000 1.164 153 Y CA -0.416 57.781 58.100 0.162 0.000 1.234 153 Y CB 0.560 39.051 38.460 0.051 0.000 1.219 153 Y HN 0.240 nan 8.280 nan 0.000 0.497 154 H N 2.034 121.211 119.070 0.177 0.000 2.742 154 H HA 0.250 4.849 4.556 0.073 0.000 0.302 154 H C 0.354 175.741 175.328 0.098 0.000 1.069 154 H CA -0.106 56.008 56.048 0.110 0.000 1.446 154 H CB 1.403 31.230 29.762 0.108 0.000 1.462 154 H HN 0.950 nan 8.280 nan 0.000 0.499 155 A N 3.151 126.065 122.820 0.156 0.000 2.119 155 A HA -0.156 4.207 4.320 0.073 0.000 0.217 155 A C 1.489 179.123 177.584 0.083 0.000 1.153 155 A CA 1.213 53.305 52.037 0.093 0.000 0.692 155 A CB -0.098 18.927 19.000 0.043 0.000 0.799 155 A HN 0.798 nan 8.150 nan 0.000 0.458 156 D N -0.879 119.583 120.400 0.103 0.000 2.342 156 D HA 0.145 4.829 4.640 0.073 0.000 0.221 156 D C -0.121 176.242 176.300 0.104 0.000 1.101 156 D CA -0.076 53.975 54.000 0.084 0.000 0.837 156 D CB -0.320 40.520 40.800 0.065 0.000 0.938 156 D HN 0.080 nan 8.370 nan 0.000 0.508 157 V N 1.288 121.283 119.914 0.135 0.000 2.370 157 V HA 0.476 4.639 4.120 0.073 0.000 0.279 157 V C 1.415 177.552 176.094 0.072 0.000 1.029 157 V CA -0.265 62.100 62.300 0.109 0.000 0.870 157 V CB 1.108 33.005 31.823 0.124 0.000 0.984 157 V HN 0.223 nan 8.190 nan 0.000 0.451 158 A N 4.094 126.941 122.820 0.045 0.000 1.930 158 A HA -0.135 4.228 4.320 0.073 0.000 0.217 158 A C 1.736 179.353 177.584 0.054 0.000 1.175 158 A CA 1.697 53.752 52.037 0.030 0.000 0.627 158 A CB -0.251 18.748 19.000 -0.001 0.000 0.815 158 A HN 0.914 nan 8.150 nan 0.000 0.443 159 Y N -1.137 119.087 120.300 -0.127 0.000 2.447 159 Y HA 0.216 4.810 4.550 0.073 0.000 0.286 159 Y C 0.785 176.514 175.900 -0.285 0.000 1.153 159 Y CA 0.400 58.375 58.100 -0.208 0.000 1.241 159 Y CB 0.241 38.415 38.460 -0.477 0.000 1.284 159 Y HN 0.347 nan 8.280 nan 0.000 0.520 160 H N 2.220 121.274 119.070 -0.027 0.000 3.220 160 H HA 0.171 4.772 4.556 0.075 0.000 0.225 160 H C -0.784 174.563 175.328 0.033 0.000 1.869 160 H CA -0.125 55.838 56.048 -0.142 0.000 1.428 160 H CB -0.859 28.578 29.762 -0.542 0.000 1.792 160 H HN 0.404 nan 8.280 nan 0.000 0.595 161 N N -0.707 118.066 118.700 0.121 0.000 3.167 161 N HA 0.030 4.814 4.740 0.073 0.000 0.323 161 N C 0.958 176.385 175.510 -0.137 0.000 1.478 161 N CA -0.981 52.163 53.050 0.156 0.000 0.753 161 N CB 0.304 38.848 38.487 0.095 0.000 1.721 161 N HN 0.136 nan 8.380 nan 0.000 0.618 162 N N 0.215 118.777 118.700 -0.230 0.000 2.289 162 N HA -0.140 4.644 4.740 0.073 0.000 0.184 162 N C 1.208 176.515 175.510 -0.338 0.000 1.016 162 N CA 1.269 54.015 53.050 -0.507 0.000 0.872 162 N CB -0.512 37.831 38.487 -0.240 0.000 0.973 162 N HN 0.679 nan 8.380 nan 0.000 0.433 163 I N 0.449 120.924 120.570 -0.157 0.000 2.252 163 I HA -0.230 3.984 4.170 0.073 0.000 0.245 163 I C 2.649 178.746 176.117 -0.033 0.000 1.102 163 I CA 1.458 62.702 61.300 -0.094 0.000 1.385 163 I CB -0.596 37.372 38.000 -0.053 0.000 1.064 163 I HN 0.178 nan 8.210 nan 0.000 0.414 164 H N 1.602 120.578 119.070 -0.157 0.000 2.353 164 H HA -0.112 4.486 4.556 0.071 0.000 0.300 164 H C 2.175 177.324 175.328 -0.298 0.000 1.090 164 H CA 1.744 57.558 56.048 -0.390 0.000 1.327 164 H CB -0.055 29.370 29.762 -0.562 0.000 1.383 164 H HN 0.268 nan 8.280 nan 0.000 0.508 165 A N 1.025 123.573 122.820 -0.454 0.000 1.883 165 A HA -0.110 4.253 4.320 0.073 0.000 0.217 165 A C 2.667 180.051 177.584 -0.334 0.000 1.186 165 A CA 2.012 53.775 52.037 -0.457 0.000 0.624 165 A CB -1.480 17.050 19.000 -0.783 0.000 0.822 165 A HN 0.647 nan 8.150 nan 0.000 0.444 166 A N -0.177 122.459 122.820 -0.308 0.000 1.902 166 A HA -0.209 4.155 4.320 0.073 0.000 0.217 166 A C 1.859 179.321 177.584 -0.204 0.000 1.181 166 A CA 2.253 54.161 52.037 -0.215 0.000 0.623 166 A CB -0.705 18.182 19.000 -0.188 0.000 0.818 166 A HN 0.562 nan 8.150 nan 0.000 0.443 167 D N -0.535 119.715 120.400 -0.250 0.000 2.117 167 D HA -0.113 4.571 4.640 0.073 0.000 0.197 167 D C 1.783 177.896 176.300 -0.312 0.000 0.987 167 D CA 1.572 55.411 54.000 -0.269 0.000 0.829 167 D CB -0.104 40.518 40.800 -0.297 0.000 0.961 167 D HN 0.150 nan 8.370 nan 0.000 0.460 168 V N -0.170 119.515 119.914 -0.382 0.000 2.358 168 V HA -0.177 3.986 4.120 0.073 0.000 0.246 168 V C 2.658 178.643 176.094 -0.182 0.000 1.047 168 V CA 1.121 63.226 62.300 -0.325 0.000 1.035 168 V CB -0.344 31.226 31.823 -0.423 0.000 0.658 168 V HN 0.137 nan 8.190 nan 0.000 0.452 169 V N -0.091 119.742 119.914 -0.136 0.000 2.255 169 V HA -0.325 3.839 4.120 0.073 0.000 0.247 169 V C 2.548 178.645 176.094 0.005 0.000 1.051 169 V CA 2.440 64.714 62.300 -0.042 0.000 1.018 169 V CB -0.647 31.158 31.823 -0.030 0.000 0.641 169 V HN 0.567 nan 8.190 nan 0.000 0.445 170 Q N -0.386 119.392 119.800 -0.036 0.000 2.167 170 Q HA -0.151 4.232 4.340 0.073 0.000 0.202 170 Q C 2.369 178.408 176.000 0.064 0.000 0.970 170 Q CA 1.932 57.749 55.803 0.024 0.000 0.855 170 Q CB -0.069 28.642 28.738 -0.045 0.000 0.911 170 Q HN 0.667 nan 8.270 nan 0.000 0.438 171 S N -0.076 115.592 115.700 -0.053 0.000 2.368 171 S HA -0.087 4.427 4.470 0.073 0.000 0.224 171 S C 1.959 176.665 174.600 0.176 0.000 1.029 171 S CA 1.546 59.733 58.200 -0.021 0.000 0.988 171 S CB -0.319 62.759 63.200 -0.202 0.000 0.838 171 S HN 0.443 nan 8.310 nan 0.000 0.462 172 T N 0.766 115.364 114.554 0.074 0.000 2.746 172 T HA -0.157 4.237 4.350 0.073 0.000 0.267 172 T C 1.724 176.497 174.700 0.122 0.000 1.039 172 T CA 1.800 63.937 62.100 0.062 0.000 1.142 172 T CB -0.454 68.416 68.868 0.002 0.000 0.866 172 T HN 0.615 nan 8.240 nan 0.000 0.444 173 H N 0.873 119.983 119.070 0.066 0.000 2.352 173 H HA -0.033 4.560 4.556 0.061 0.000 0.299 173 H C 1.953 177.353 175.328 0.121 0.000 1.097 173 H CA 1.531 57.628 56.048 0.080 0.000 1.311 173 H CB -0.543 29.260 29.762 0.067 0.000 1.377 173 H HN 0.152 nan 8.280 nan 0.000 0.504 174 V N 0.619 120.561 119.914 0.046 0.000 2.358 174 V HA -0.198 3.966 4.120 0.073 0.000 0.246 174 V C 2.696 178.844 176.094 0.091 0.000 1.047 174 V CA 1.651 63.985 62.300 0.056 0.000 1.035 174 V CB -0.566 31.465 31.823 0.347 0.000 0.658 174 V HN 0.415 nan 8.190 nan 0.000 0.452 175 L N -0.718 120.609 121.223 0.173 0.000 2.131 175 L HA -0.164 4.220 4.340 0.073 0.000 0.210 175 L C 2.348 179.324 176.870 0.178 0.000 1.092 175 L CA 1.321 56.265 54.840 0.172 0.000 0.759 175 L CB -0.487 41.636 42.059 0.108 0.000 0.903 175 L HN 0.309 nan 8.230 nan 0.000 0.435 176 L N -0.921 120.366 121.223 0.106 0.000 2.201 176 L HA -0.143 4.241 4.340 0.073 0.000 0.212 176 L C 2.158 179.087 176.870 0.098 0.000 1.105 176 L CA 0.793 55.706 54.840 0.122 0.000 0.775 176 L CB -0.226 41.878 42.059 0.076 0.000 0.913 176 L HN 0.162 nan 8.230 nan 0.000 0.440 177 S N -1.472 114.238 115.700 0.016 0.000 2.631 177 S HA 0.021 4.535 4.470 0.073 0.000 0.217 177 S C 0.735 175.353 174.600 0.030 0.000 0.958 177 S CA -0.085 58.114 58.200 -0.002 0.000 0.920 177 S CB -0.269 62.882 63.200 -0.082 0.000 0.776 177 S HN 0.311 nan 8.310 nan 0.000 0.517 178 T N 4.471 119.068 114.554 0.073 0.000 2.871 178 T HA 0.042 4.436 4.350 0.073 0.000 0.296 178 T C -1.536 173.181 174.700 0.029 0.000 0.998 178 T CA -0.731 61.407 62.100 0.064 0.000 1.162 178 T CB 0.601 69.547 68.868 0.129 0.000 0.947 178 T HN 0.081 nan 8.240 nan 0.000 0.536 179 P HA -0.152 nan 4.420 nan 0.000 0.217 179 P C 1.358 178.644 177.300 -0.024 0.000 1.151 179 P CA 1.000 64.093 63.100 -0.011 0.000 0.849 179 P CB 0.027 31.715 31.700 -0.020 0.000 0.787 180 A N -1.245 121.552 122.820 -0.038 0.000 2.121 180 A HA -0.062 4.302 4.320 0.073 0.000 0.218 180 A C 1.787 179.328 177.584 -0.072 0.000 1.154 180 A CA 1.046 53.043 52.037 -0.067 0.000 0.679 180 A CB -1.193 17.745 19.000 -0.104 0.000 0.795 180 A HN 0.190 nan 8.150 nan 0.000 0.458 181 L N -0.429 120.776 121.223 -0.029 0.000 2.818 181 L HA 0.179 4.562 4.340 0.073 0.000 0.243 181 L C 0.391 177.251 176.870 -0.016 0.000 1.185 181 L CA -0.343 54.483 54.840 -0.022 0.000 0.988 181 L CB -0.044 42.087 42.059 0.121 0.000 1.292 181 L HN 0.327 nan 8.230 nan 0.000 0.519 182 E N 1.771 121.959 120.200 -0.020 0.000 2.498 182 E HA 0.137 4.531 4.350 0.073 0.000 0.252 182 E C 1.140 177.722 176.600 -0.030 0.000 1.025 182 E CA 0.846 57.239 56.400 -0.011 0.000 0.938 182 E CB 0.446 30.136 29.700 -0.015 0.000 0.947 182 E HN 0.319 nan 8.360 nan 0.000 0.478 183 A N 2.970 125.786 122.820 -0.008 0.000 2.847 183 A HA -0.234 4.130 4.320 0.073 0.000 0.263 183 A C 1.134 178.678 177.584 -0.067 0.000 1.391 183 A CA 1.012 53.039 52.037 -0.016 0.000 0.866 183 A CB -2.157 16.832 19.000 -0.019 0.000 1.057 183 A HN 0.473 nan 8.150 nan 0.000 0.673 184 V N -1.819 118.011 119.914 -0.140 0.000 2.379 184 V HA 0.106 4.270 4.120 0.073 0.000 0.243 184 V C 1.186 177.040 176.094 -0.400 0.000 1.035 184 V CA 1.766 63.857 62.300 -0.348 0.000 1.035 184 V CB -0.353 31.119 31.823 -0.585 0.000 0.673 184 V HN 0.534 nan 8.190 nan 0.000 0.457 185 F N 0.945 120.913 119.950 0.031 0.000 2.399 185 F HA 0.466 5.035 4.527 0.072 0.000 0.334 185 F C 1.018 176.848 175.800 0.049 0.000 1.097 185 F CA -0.994 57.033 58.000 0.044 0.000 1.076 185 F CB 0.749 39.782 39.000 0.054 0.000 1.162 185 F HN -0.004 nan 8.300 nan 0.000 0.495 186 T N -1.970 112.742 114.554 0.264 0.000 2.788 186 T HA 0.105 4.498 4.350 0.073 0.000 0.287 186 T C 0.846 175.663 174.700 0.195 0.000 1.007 186 T CA -0.730 61.477 62.100 0.179 0.000 1.005 186 T CB 0.762 69.724 68.868 0.157 0.000 1.012 186 T HN 0.513 nan 8.240 nan 0.000 0.530 187 D N -0.048 120.459 120.400 0.178 0.000 2.149 187 D HA -0.086 4.598 4.640 0.073 0.000 0.198 187 D C 1.879 178.406 176.300 0.380 0.000 0.990 187 D CA 0.773 54.920 54.000 0.245 0.000 0.839 187 D CB -0.189 40.700 40.800 0.148 0.000 0.948 187 D HN 0.410 nan 8.370 nan 0.000 0.460 188 L N 1.213 122.657 121.223 0.369 0.000 2.093 188 L HA -0.119 4.265 4.340 0.073 0.000 0.208 188 L C 2.000 178.903 176.870 0.054 0.000 1.085 188 L CA 1.633 56.587 54.840 0.190 0.000 0.755 188 L CB -0.230 41.924 42.059 0.159 0.000 0.904 188 L HN -0.091 nan 8.230 nan 0.000 0.435 189 E N -0.555 119.711 120.200 0.109 0.000 2.106 189 E HA -0.197 4.196 4.350 0.073 0.000 0.192 189 E C 2.260 178.853 176.600 -0.011 0.000 0.984 189 E CA 1.448 57.884 56.400 0.061 0.000 0.806 189 E CB -0.141 29.652 29.700 0.154 0.000 0.750 189 E HN 0.529 nan 8.360 nan 0.000 0.458 190 I N 0.675 121.273 120.570 0.047 0.000 2.226 190 I HA -0.251 3.963 4.170 0.073 0.000 0.245 190 I C 2.375 178.496 176.117 0.006 0.000 1.100 190 I CA 0.520 61.837 61.300 0.027 0.000 1.374 190 I CB -0.100 37.954 38.000 0.089 0.000 1.057 190 I HN 0.157 nan 8.210 nan 0.000 0.413 191 L N 1.130 122.345 121.223 -0.013 0.000 2.046 191 L HA -0.164 4.219 4.340 0.073 0.000 0.208 191 L C 2.530 179.417 176.870 0.028 0.000 1.077 191 L CA 2.177 56.973 54.840 -0.074 0.000 0.747 191 L CB -0.800 41.084 42.059 -0.291 0.000 0.896 191 L HN 0.191 nan 8.230 nan 0.000 0.432 192 A N -0.555 122.259 122.820 -0.010 0.000 1.902 192 A HA -0.080 4.284 4.320 0.073 0.000 0.217 192 A C 2.446 180.091 177.584 0.102 0.000 1.181 192 A CA 1.813 53.881 52.037 0.051 0.000 0.623 192 A CB -1.171 17.836 19.000 0.011 0.000 0.818 192 A HN 0.574 nan 8.150 nan 0.000 0.443 193 A N -0.208 122.626 122.820 0.024 0.000 1.898 193 A HA -0.039 4.324 4.320 0.073 0.000 0.216 193 A C 2.124 179.739 177.584 0.052 0.000 1.181 193 A CA 1.505 53.539 52.037 -0.006 0.000 0.620 193 A CB -0.547 18.392 19.000 -0.100 0.000 0.819 193 A HN 0.495 nan 8.150 nan 0.000 0.442 194 I N -2.113 118.519 120.570 0.103 0.000 2.286 194 I HA -0.165 4.049 4.170 0.073 0.000 0.245 194 I C 2.330 178.591 176.117 0.240 0.000 1.104 194 I CA 1.291 62.689 61.300 0.163 0.000 1.397 194 I CB -0.314 37.798 38.000 0.187 0.000 1.072 194 I HN 0.422 nan 8.210 nan 0.000 0.417 195 F N 1.967 122.015 119.950 0.164 0.000 2.134 195 F HA -0.213 4.358 4.527 0.073 0.000 0.299 195 F C 2.482 178.346 175.800 0.107 0.000 1.097 195 F CA 1.390 59.502 58.000 0.187 0.000 1.264 195 F CB -0.360 38.783 39.000 0.238 0.000 1.001 195 F HN -0.003 nan 8.300 nan 0.000 0.479 196 A N -0.500 122.378 122.820 0.096 0.000 1.908 196 A HA -0.189 4.175 4.320 0.073 0.000 0.218 196 A C 2.361 179.933 177.584 -0.020 0.000 1.181 196 A CA 2.123 54.157 52.037 -0.006 0.000 0.627 196 A CB -1.291 17.751 19.000 0.070 0.000 0.818 196 A HN 0.441 nan 8.150 nan 0.000 0.445 197 S N -0.151 115.549 115.700 -0.001 0.000 2.382 197 S HA -0.037 4.476 4.470 0.073 0.000 0.228 197 S C 2.278 176.926 174.600 0.081 0.000 1.027 197 S CA 1.161 59.359 58.200 -0.003 0.000 0.991 197 S CB -0.451 62.723 63.200 -0.043 0.000 0.823 197 S HN 0.808 nan 8.310 nan 0.000 0.469 198 A N 1.812 124.624 122.820 -0.013 0.000 1.898 198 A HA -0.013 4.351 4.320 0.073 0.000 0.216 198 A C 2.070 179.634 177.584 -0.034 0.000 1.181 198 A CA 1.443 53.453 52.037 -0.044 0.000 0.620 198 A CB -0.682 18.290 19.000 -0.047 0.000 0.819 198 A HN 0.682 nan 8.150 nan 0.000 0.442 199 I N -3.007 117.454 120.570 -0.182 0.000 3.793 199 I HA 0.043 4.256 4.170 0.073 0.000 0.315 199 I C 1.931 177.985 176.117 -0.105 0.000 1.275 199 I CA 0.760 61.949 61.300 -0.186 0.000 1.214 199 I CB -0.553 37.174 38.000 -0.454 0.000 1.018 199 I HN 0.499 nan 8.210 nan 0.000 0.439 200 H N 0.719 119.747 119.070 -0.070 0.000 2.489 200 H HA -0.119 4.480 4.556 0.071 0.000 0.295 200 H C 0.129 175.352 175.328 -0.174 0.000 1.082 200 H CA 1.517 57.540 56.048 -0.042 0.000 1.295 200 H CB -0.139 29.624 29.762 0.001 0.000 1.380 200 H HN 0.406 nan 8.280 nan 0.000 0.548 201 D N 1.054 120.943 120.400 -0.853 0.000 2.563 201 D HA 0.122 4.805 4.640 0.073 0.000 0.237 201 D C -0.127 175.593 176.300 -0.966 0.000 1.282 201 D CA -0.286 53.034 54.000 -1.132 0.000 0.816 201 D CB 0.842 41.406 40.800 -0.393 0.000 1.066 201 D HN 0.108 nan 8.370 nan 0.000 0.501 202 V N 1.463 120.850 119.914 -0.878 0.000 2.694 202 V HA -0.028 4.136 4.120 0.073 0.000 0.306 202 V C 0.708 176.543 176.094 -0.431 0.000 1.054 202 V CA 0.836 62.475 62.300 -1.101 0.000 1.161 202 V CB 0.752 32.151 31.823 -0.706 0.000 0.916 202 V HN 0.369 nan 8.190 nan 0.000 0.490 203 D N 3.079 123.258 120.400 -0.367 0.000 2.981 203 D HA -0.217 4.467 4.640 0.073 0.000 0.223 203 D C 0.098 176.370 176.300 -0.047 0.000 1.151 203 D CA 1.194 55.202 54.000 0.013 0.000 0.827 203 D CB -1.507 39.410 40.800 0.194 0.000 1.101 203 D HN 0.873 nan 8.370 nan 0.000 0.426 204 H N 0.095 119.016 119.070 -0.248 0.000 2.929 204 H HA 0.163 4.763 4.556 0.074 0.000 0.317 204 H C -1.497 173.602 175.328 -0.382 0.000 1.031 204 H CA -0.516 55.462 56.048 -0.116 0.000 1.466 204 H CB 1.253 30.965 29.762 -0.084 0.000 1.482 204 H HN 0.133 nan 8.280 nan 0.000 0.561 205 P HA 0.092 nan 4.420 nan 0.000 0.249 205 P C 0.600 178.009 177.300 0.183 0.000 1.229 205 P CA 1.073 64.227 63.100 0.091 0.000 0.788 205 P CB 0.529 32.295 31.700 0.111 0.000 1.072 206 G N -0.162 108.842 108.800 0.339 0.000 2.132 206 G HA2 -0.155 3.848 3.960 0.073 0.000 0.234 206 G HA3 -0.155 3.848 3.960 0.073 0.000 0.234 206 G C 0.013 174.987 174.900 0.124 0.000 0.989 206 G CA 0.086 45.276 45.100 0.150 0.000 0.676 206 G HN 0.559 nan 8.290 nan 0.000 0.522 207 V N -2.057 117.957 119.914 0.168 0.000 3.040 207 V HA 0.957 5.120 4.120 0.073 0.000 0.312 207 V C 0.531 176.720 176.094 0.158 0.000 1.115 207 V CA -0.145 62.156 62.300 0.001 0.000 0.998 207 V CB 1.568 33.181 31.823 -0.351 0.000 1.042 207 V HN 1.417 nan 8.190 nan 0.000 0.433 208 S N 1.669 117.448 115.700 0.132 0.000 2.624 208 S HA 0.293 4.806 4.470 0.073 0.000 0.263 208 S C 0.777 175.458 174.600 0.135 0.000 1.287 208 S CA -0.114 58.172 58.200 0.144 0.000 0.990 208 S CB 0.642 63.901 63.200 0.097 0.000 0.950 208 S HN 0.808 nan 8.310 nan 0.000 0.561 209 N N 0.801 119.549 118.700 0.079 0.000 2.069 209 N HA -0.152 4.631 4.740 0.073 0.000 0.191 209 N C 1.738 177.292 175.510 0.074 0.000 1.031 209 N CA 1.626 54.708 53.050 0.053 0.000 0.852 209 N CB -0.783 37.721 38.487 0.028 0.000 1.018 209 N HN 0.776 nan 8.380 nan 0.000 0.423 210 Q N 0.015 119.862 119.800 0.078 0.000 2.124 210 Q HA -0.033 4.350 4.340 0.073 0.000 0.202 210 Q C 1.833 177.885 176.000 0.087 0.000 0.977 210 Q CA 1.078 56.918 55.803 0.063 0.000 0.850 210 Q CB -0.507 28.258 28.738 0.046 0.000 0.901 210 Q HN 0.410 nan 8.270 nan 0.000 0.429 211 F N -0.258 119.691 119.950 -0.002 0.000 2.102 211 F HA -0.134 4.437 4.527 0.074 0.000 0.298 211 F C 1.498 177.301 175.800 0.005 0.000 1.105 211 F CA 1.283 59.286 58.000 0.005 0.000 1.239 211 F CB -0.104 38.907 39.000 0.019 0.000 0.991 211 F HN 0.087 nan 8.300 nan 0.000 0.474 212 L N -0.118 121.223 121.223 0.197 0.000 2.083 212 L HA -0.228 4.156 4.340 0.073 0.000 0.209 212 L C 2.390 179.243 176.870 -0.030 0.000 1.083 212 L CA 1.286 56.175 54.840 0.082 0.000 0.752 212 L CB -0.633 41.484 42.059 0.097 0.000 0.899 212 L HN 0.217 nan 8.230 nan 0.000 0.433 213 I N -0.255 120.302 120.570 -0.022 0.000 2.233 213 I HA -0.231 3.983 4.170 0.073 0.000 0.243 213 I C 2.059 178.127 176.117 -0.082 0.000 1.093 213 I CA 0.961 62.240 61.300 -0.036 0.000 1.380 213 I CB -0.318 37.675 38.000 -0.012 0.000 1.067 213 I HN 0.290 nan 8.210 nan 0.000 0.413 214 N N 0.302 118.929 118.700 -0.121 0.000 2.309 214 N HA -0.117 4.667 4.740 0.073 0.000 0.182 214 N C 1.663 177.040 175.510 -0.222 0.000 1.018 214 N CA 1.774 54.730 53.050 -0.157 0.000 0.876 214 N CB -0.494 37.895 38.487 -0.163 0.000 0.972 214 N HN 0.441 nan 8.380 nan 0.000 0.434 215 T N -2.105 112.256 114.554 -0.322 0.000 3.144 215 T HA 0.114 4.507 4.350 0.073 0.000 0.249 215 T C 0.170 174.772 174.700 -0.163 0.000 1.089 215 T CA -0.427 61.486 62.100 -0.312 0.000 0.989 215 T CB -0.166 68.393 68.868 -0.514 0.000 0.992 215 T HN 0.026 nan 8.240 nan 0.000 0.540 216 N N 2.104 120.733 118.700 -0.119 0.000 2.727 216 N HA -0.160 4.624 4.740 0.073 0.000 0.249 216 N C 0.091 175.567 175.510 -0.057 0.000 1.048 216 N CA 1.063 54.069 53.050 -0.072 0.000 0.714 216 N CB -1.966 36.485 38.487 -0.061 0.000 0.959 216 N HN 0.904 nan 8.380 nan 0.000 0.544 217 S N -1.142 114.525 115.700 -0.054 0.000 2.584 217 S HA 0.193 4.706 4.470 0.073 0.000 0.270 217 S C 1.341 175.922 174.600 -0.031 0.000 1.346 217 S CA -0.221 57.961 58.200 -0.029 0.000 1.018 217 S CB 1.925 65.123 63.200 -0.003 0.000 0.899 217 S HN 0.294 nan 8.310 nan 0.000 0.542 218 E N 0.971 121.152 120.200 -0.031 0.000 2.153 218 E HA -0.054 4.339 4.350 0.073 0.000 0.194 218 E C 1.645 178.203 176.600 -0.069 0.000 0.988 218 E CA 1.193 57.564 56.400 -0.049 0.000 0.811 218 E CB -0.422 29.250 29.700 -0.045 0.000 0.746 218 E HN 0.751 nan 8.360 nan 0.000 0.466 219 L N -0.365 120.824 121.223 -0.056 0.000 2.017 219 L HA -0.154 4.229 4.340 0.073 0.000 0.208 219 L C 2.416 179.304 176.870 0.030 0.000 1.073 219 L CA 1.233 56.053 54.840 -0.034 0.000 0.745 219 L CB -0.477 41.552 42.059 -0.049 0.000 0.894 219 L HN 0.235 nan 8.230 nan 0.000 0.432 220 A N -0.482 122.349 122.820 0.017 0.000 1.969 220 A HA -0.198 4.166 4.320 0.073 0.000 0.218 220 A C 2.141 179.727 177.584 0.005 0.000 1.169 220 A CA 1.329 53.385 52.037 0.032 0.000 0.635 220 A CB -0.548 18.457 19.000 0.009 0.000 0.810 220 A HN 0.331 nan 8.150 nan 0.000 0.445 221 L N -1.049 120.154 121.223 -0.033 0.000 2.056 221 L HA -0.093 4.290 4.340 0.073 0.000 0.207 221 L C 2.403 179.217 176.870 -0.094 0.000 1.078 221 L CA 2.633 57.442 54.840 -0.052 0.000 0.749 221 L CB -0.534 41.492 42.059 -0.056 0.000 0.901 221 L HN 0.453 nan 8.230 nan 0.000 0.433 222 M N -1.537 117.960 119.600 -0.172 0.000 2.159 222 M HA -0.200 4.323 4.480 0.073 0.000 0.263 222 M C 1.043 177.089 176.300 -0.425 0.000 1.063 222 M CA 1.806 56.889 55.300 -0.361 0.000 1.110 222 M CB -0.296 31.961 32.600 -0.572 0.000 1.374 222 M HN 0.285 nan 8.290 nan 0.000 0.411 223 Y N 0.474 120.764 120.300 -0.016 0.000 2.555 223 Y HA 0.349 4.943 4.550 0.074 0.000 0.259 223 Y C 0.340 176.234 175.900 -0.010 0.000 1.179 223 Y CA -0.773 57.321 58.100 -0.011 0.000 1.230 223 Y CB -0.531 37.920 38.460 -0.015 0.000 1.146 223 Y HN 0.303 nan 8.280 nan 0.000 0.526 224 N N 1.440 120.189 118.700 0.080 0.000 2.727 224 N HA -0.251 4.532 4.740 0.073 0.000 0.249 224 N C -0.569 174.973 175.510 0.054 0.000 1.048 224 N CA 1.416 54.496 53.050 0.050 0.000 0.714 224 N CB -0.999 37.514 38.487 0.043 0.000 0.959 224 N HN 0.485 nan 8.380 nan 0.000 0.544 225 D N -2.685 117.751 120.400 0.059 0.000 3.059 225 D HA -0.171 4.513 4.640 0.073 0.000 0.213 225 D C -0.054 176.270 176.300 0.040 0.000 1.144 225 D CA 1.832 55.858 54.000 0.042 0.000 0.975 225 D CB -1.546 39.267 40.800 0.022 0.000 1.125 225 D HN 0.754 nan 8.370 nan 0.000 0.412 226 S N -1.457 114.274 115.700 0.053 0.000 2.478 226 S HA 0.567 5.081 4.470 0.073 0.000 0.312 226 S C 0.433 175.034 174.600 0.001 0.000 1.094 226 S CA 0.044 58.261 58.200 0.029 0.000 1.081 226 S CB 2.407 65.625 63.200 0.030 0.000 1.007 226 S HN 0.219 nan 8.310 nan 0.000 0.475 227 S N 1.530 117.218 115.700 -0.020 0.000 3.477 227 S HA -0.139 4.374 4.470 0.073 0.000 0.371 227 S C 1.189 175.701 174.600 -0.146 0.000 0.965 227 S CA 0.562 58.723 58.200 -0.064 0.000 1.239 227 S CB -2.048 61.114 63.200 -0.064 0.000 0.918 227 S HN 0.784 nan 8.310 nan 0.000 0.498 228 V N 0.542 120.401 119.914 -0.092 0.000 2.233 228 V HA -0.253 3.911 4.120 0.073 0.000 0.247 228 V C 2.260 178.209 176.094 -0.241 0.000 1.050 228 V CA 2.494 64.741 62.300 -0.088 0.000 1.010 228 V CB -0.485 31.349 31.823 0.018 0.000 0.637 228 V HN 0.678 nan 8.190 nan 0.000 0.444 229 L N -0.534 120.534 121.223 -0.257 0.000 2.056 229 L HA -0.182 4.202 4.340 0.073 0.000 0.207 229 L C 2.608 179.020 176.870 -0.763 0.000 1.078 229 L CA 1.520 56.061 54.840 -0.497 0.000 0.749 229 L CB -0.563 41.227 42.059 -0.449 0.000 0.901 229 L HN 0.320 nan 8.230 nan 0.000 0.433 230 E N -0.135 119.835 120.200 -0.384 0.000 2.106 230 E HA -0.164 4.230 4.350 0.073 0.000 0.192 230 E C 1.987 178.449 176.600 -0.229 0.000 0.984 230 E CA 0.803 57.095 56.400 -0.180 0.000 0.806 230 E CB -0.211 29.482 29.700 -0.013 0.000 0.750 230 E HN 0.345 nan 8.360 nan 0.000 0.458 231 N N -0.018 118.447 118.700 -0.393 0.000 2.120 231 N HA -0.186 4.598 4.740 0.073 0.000 0.188 231 N C 1.803 177.050 175.510 -0.438 0.000 1.024 231 N CA 1.267 54.002 53.050 -0.525 0.000 0.852 231 N CB -0.246 37.544 38.487 -1.161 0.000 1.003 231 N HN 0.268 nan 8.380 nan 0.000 0.424 232 H N 0.861 119.587 119.070 -0.573 0.000 2.353 232 H HA -0.057 4.543 4.556 0.073 0.000 0.300 232 H C 1.830 177.089 175.328 -0.114 0.000 1.090 232 H CA 1.765 57.684 56.048 -0.214 0.000 1.327 232 H CB -0.141 29.528 29.762 -0.155 0.000 1.383 232 H HN 0.285 nan 8.280 nan 0.000 0.508 233 H N 0.032 118.991 119.070 -0.185 0.000 2.319 233 H HA -0.124 4.477 4.556 0.075 0.000 0.299 233 H C 2.641 177.869 175.328 -0.166 0.000 1.092 233 H CA 1.511 57.424 56.048 -0.225 0.000 1.302 233 H CB -0.656 29.020 29.762 -0.145 0.000 1.373 233 H HN 0.352 nan 8.280 nan 0.000 0.497 234 L N 0.141 121.395 121.223 0.052 0.000 2.017 234 L HA -0.162 4.221 4.340 0.073 0.000 0.208 234 L C 2.887 179.892 176.870 0.225 0.000 1.073 234 L CA 1.149 56.078 54.840 0.149 0.000 0.745 234 L CB -0.555 41.635 42.059 0.219 0.000 0.894 234 L HN 0.238 nan 8.230 nan 0.000 0.432 235 A N -0.585 122.312 122.820 0.130 0.000 1.908 235 A HA -0.165 4.199 4.320 0.073 0.000 0.218 235 A C 2.321 179.956 177.584 0.086 0.000 1.181 235 A CA 1.966 54.098 52.037 0.158 0.000 0.627 235 A CB -0.854 18.250 19.000 0.173 0.000 0.818 235 A HN 0.214 nan 8.150 nan 0.000 0.445 236 V N -0.229 119.631 119.914 -0.089 0.000 2.307 236 V HA -0.139 4.025 4.120 0.073 0.000 0.245 236 V C 2.837 178.883 176.094 -0.079 0.000 1.045 236 V CA 1.878 64.091 62.300 -0.146 0.000 1.024 236 V CB -1.432 30.206 31.823 -0.307 0.000 0.651 236 V HN 0.610 nan 8.190 nan 0.000 0.449 237 G N -0.735 108.017 108.800 -0.080 0.000 2.440 237 G HA2 -0.253 3.751 3.960 0.073 0.000 0.218 237 G HA3 -0.253 3.751 3.960 0.073 0.000 0.218 237 G C 1.460 176.407 174.900 0.078 0.000 1.154 237 G CA 0.903 45.955 45.100 -0.079 0.000 0.767 237 G HN 0.455 nan 8.290 nan 0.000 0.552 238 F N 0.793 120.869 119.950 0.211 0.000 2.234 238 F HA 0.203 4.775 4.527 0.075 0.000 0.296 238 F C 2.667 178.560 175.800 0.155 0.000 1.089 238 F CA 1.014 59.153 58.000 0.230 0.000 1.343 238 F CB -0.063 39.038 39.000 0.168 0.000 1.040 238 F HN 0.017 nan 8.300 nan 0.000 0.498 239 K N 0.223 120.785 120.400 0.269 0.000 2.147 239 K HA -0.119 4.245 4.320 0.073 0.000 0.205 239 K C 1.939 178.617 176.600 0.130 0.000 1.049 239 K CA 1.044 57.427 56.287 0.160 0.000 0.936 239 K CB -0.390 32.166 32.500 0.093 0.000 0.722 239 K HN 0.289 nan 8.250 nan 0.000 0.446 240 L N 0.884 122.183 121.223 0.128 0.000 2.275 240 L HA -0.135 4.248 4.340 0.073 0.000 0.215 240 L C 1.958 178.998 176.870 0.284 0.000 1.119 240 L CA 0.589 55.508 54.840 0.133 0.000 0.790 240 L CB -0.316 41.755 42.059 0.021 0.000 0.919 240 L HN 0.179 nan 8.230 nan 0.000 0.443 241 L N -0.659 120.735 121.223 0.285 0.000 2.265 241 L HA -0.196 4.187 4.340 0.073 0.000 0.215 241 L C 2.325 179.255 176.870 0.101 0.000 1.117 241 L CA 0.987 55.902 54.840 0.126 0.000 0.782 241 L CB -0.384 41.713 42.059 0.062 0.000 0.914 241 L HN 0.389 nan 8.230 nan 0.000 0.441 242 Q N -0.601 119.268 119.800 0.115 0.000 2.451 242 Q HA 0.023 4.406 4.340 0.073 0.000 0.206 242 Q C 0.274 176.317 176.000 0.071 0.000 0.947 242 Q CA 0.085 55.938 55.803 0.082 0.000 0.937 242 Q CB 0.248 29.034 28.738 0.079 0.000 1.025 242 Q HN 0.436 nan 8.270 nan 0.000 0.511 243 E N 1.650 121.901 120.200 0.084 0.000 2.410 243 E HA -0.008 4.386 4.350 0.073 0.000 0.255 243 E C -0.157 176.479 176.600 0.060 0.000 1.194 243 E CA -0.031 56.411 56.400 0.070 0.000 0.955 243 E CB 0.440 30.186 29.700 0.076 0.000 0.988 243 E HN 0.021 nan 8.360 nan 0.000 0.461 244 E N 1.566 121.794 120.200 0.047 0.000 2.493 244 E HA -0.129 4.265 4.350 0.073 0.000 0.255 244 E C -0.042 176.579 176.600 0.035 0.000 0.999 244 E CA 0.263 56.684 56.400 0.035 0.000 0.934 244 E CB -0.231 29.486 29.700 0.028 0.000 0.940 244 E HN 0.492 nan 8.360 nan 0.000 0.473 245 N N 2.847 121.564 118.700 0.028 0.000 2.740 245 N HA -0.229 4.554 4.740 0.073 0.000 0.248 245 N C -0.722 174.806 175.510 0.030 0.000 1.062 245 N CA 1.082 54.144 53.050 0.020 0.000 0.704 245 N CB -1.450 37.045 38.487 0.014 0.000 0.968 245 N HN 0.481 nan 8.380 nan 0.000 0.547 246 C N -1.176 118.150 119.300 0.045 0.000 3.392 246 C HA 0.256 4.760 4.460 0.073 0.000 0.301 246 C C 0.631 175.600 174.990 -0.035 0.000 1.354 246 C CA -0.510 58.562 59.018 0.091 0.000 1.732 246 C CB -0.435 27.424 27.740 0.200 0.000 2.269 246 C HN 0.531 nan 8.230 nan 0.000 0.673 247 D N 2.151 122.511 120.400 -0.067 0.000 2.455 247 D HA 0.112 4.795 4.640 0.073 0.000 0.234 247 D C 1.315 177.472 176.300 -0.237 0.000 1.224 247 D CA -0.129 53.784 54.000 -0.146 0.000 0.999 247 D CB -0.099 40.677 40.800 -0.041 0.000 1.072 247 D HN 0.607 nan 8.370 nan 0.000 0.514 248 I N -0.963 119.300 120.570 -0.510 0.000 2.916 248 I HA -0.043 4.171 4.170 0.073 0.000 0.267 248 I C 0.471 176.291 176.117 -0.496 0.000 1.263 248 I CA 0.664 61.639 61.300 -0.541 0.000 1.471 248 I CB -0.302 37.259 38.000 -0.731 0.000 1.089 248 I HN 0.015 nan 8.210 nan 0.000 0.468 249 F N 2.142 121.999 119.950 -0.155 0.000 2.641 249 F HA 0.187 4.756 4.527 0.071 0.000 0.302 249 F C 2.316 178.082 175.800 -0.056 0.000 1.098 249 F CA -0.537 57.384 58.000 -0.131 0.000 1.318 249 F CB -0.732 38.148 39.000 -0.201 0.000 1.035 249 F HN 0.230 nan 8.300 nan 0.000 0.551 250 Q N -0.090 119.754 119.800 0.074 0.000 2.234 250 Q HA -0.192 4.192 4.340 0.073 0.000 0.206 250 Q C 0.687 176.732 176.000 0.076 0.000 0.980 250 Q CA 1.726 57.566 55.803 0.062 0.000 0.869 250 Q CB -0.398 28.357 28.738 0.028 0.000 0.912 250 Q HN 0.232 nan 8.270 nan 0.000 0.436 251 N N 0.019 118.779 118.700 0.100 0.000 2.235 251 N HA 0.177 4.960 4.740 0.073 0.000 0.209 251 N C -0.701 174.890 175.510 0.135 0.000 1.122 251 N CA -0.005 53.108 53.050 0.104 0.000 0.845 251 N CB 0.399 38.947 38.487 0.102 0.000 1.004 251 N HN 0.131 nan 8.380 nan 0.000 0.499 252 L N 0.897 122.208 121.223 0.148 0.000 2.418 252 L HA 0.194 4.578 4.340 0.073 0.000 0.265 252 L C 1.372 178.291 176.870 0.081 0.000 1.143 252 L CA -0.179 54.746 54.840 0.143 0.000 0.809 252 L CB 0.678 42.794 42.059 0.094 0.000 1.124 252 L HN 0.081 nan 8.230 nan 0.000 0.456 253 T N -1.445 113.150 114.554 0.067 0.000 2.813 253 T HA 0.117 4.511 4.350 0.073 0.000 0.297 253 T C 1.095 175.803 174.700 0.013 0.000 1.036 253 T CA -0.325 61.797 62.100 0.037 0.000 1.044 253 T CB 0.459 69.346 68.868 0.032 0.000 0.993 253 T HN 0.659 nan 8.240 nan 0.000 0.535 254 K N 0.672 121.074 120.400 0.003 0.000 2.097 254 K HA -0.176 4.188 4.320 0.073 0.000 0.206 254 K C 2.245 178.828 176.600 -0.029 0.000 1.049 254 K CA 1.554 57.834 56.287 -0.013 0.000 0.933 254 K CB -0.197 32.296 32.500 -0.012 0.000 0.717 254 K HN 0.734 nan 8.250 nan 0.000 0.442 255 K N 0.601 120.988 120.400 -0.021 0.000 2.057 255 K HA -0.174 4.190 4.320 0.073 0.000 0.206 255 K C 2.110 178.687 176.600 -0.039 0.000 1.050 255 K CA 1.545 57.814 56.287 -0.030 0.000 0.935 255 K CB 0.013 32.502 32.500 -0.017 0.000 0.715 255 K HN 0.247 nan 8.250 nan 0.000 0.439 256 Q N 0.069 119.855 119.800 -0.022 0.000 2.084 256 Q HA -0.149 4.235 4.340 0.073 0.000 0.202 256 Q C 2.229 178.161 176.000 -0.113 0.000 0.978 256 Q CA 1.635 57.419 55.803 -0.033 0.000 0.844 256 Q CB 0.008 28.763 28.738 0.028 0.000 0.898 256 Q HN 0.297 nan 8.270 nan 0.000 0.426 257 R N 0.293 120.726 120.500 -0.111 0.000 2.075 257 R HA -0.141 4.243 4.340 0.073 0.000 0.232 257 R C 2.306 178.509 176.300 -0.160 0.000 1.126 257 R CA 1.397 57.395 56.100 -0.169 0.000 0.963 257 R CB -0.081 30.161 30.300 -0.097 0.000 0.858 257 R HN 0.297 nan 8.270 nan 0.000 0.435 258 Q N -0.235 119.496 119.800 -0.114 0.000 2.084 258 Q HA -0.112 4.272 4.340 0.073 0.000 0.202 258 Q C 2.199 178.129 176.000 -0.117 0.000 0.978 258 Q CA 1.813 57.550 55.803 -0.112 0.000 0.844 258 Q CB 0.053 28.738 28.738 -0.088 0.000 0.898 258 Q HN 0.225 nan 8.270 nan 0.000 0.426 259 S N 1.001 116.636 115.700 -0.108 0.000 2.355 259 S HA -0.126 4.388 4.470 0.073 0.000 0.222 259 S C 1.869 176.420 174.600 -0.081 0.000 1.031 259 S CA 0.889 59.030 58.200 -0.098 0.000 0.993 259 S CB -0.269 62.889 63.200 -0.071 0.000 0.859 259 S HN 0.328 nan 8.310 nan 0.000 0.453 260 L N 1.653 122.794 121.223 -0.136 0.000 2.046 260 L HA -0.101 4.283 4.340 0.073 0.000 0.208 260 L C 2.516 179.342 176.870 -0.072 0.000 1.077 260 L CA 1.588 56.324 54.840 -0.174 0.000 0.747 260 L CB -0.242 41.556 42.059 -0.434 0.000 0.896 260 L HN 0.178 nan 8.230 nan 0.000 0.432 261 R N 0.043 120.488 120.500 -0.092 0.000 2.083 261 R HA -0.260 4.124 4.340 0.073 0.000 0.237 261 R C 2.461 178.768 176.300 0.012 0.000 1.137 261 R CA 2.130 58.209 56.100 -0.036 0.000 0.951 261 R CB -0.276 29.872 30.300 -0.252 0.000 0.851 261 R HN 0.353 nan 8.270 nan 0.000 0.434 262 K N 0.104 120.489 120.400 -0.026 0.000 2.026 262 K HA -0.148 4.216 4.320 0.073 0.000 0.208 262 K C 2.140 178.809 176.600 0.114 0.000 1.048 262 K CA 1.885 58.180 56.287 0.014 0.000 0.929 262 K CB -0.057 32.416 32.500 -0.046 0.000 0.713 262 K HN 0.210 nan 8.250 nan 0.000 0.439 263 M N 0.287 119.969 119.600 0.136 0.000 2.117 263 M HA -0.167 4.357 4.480 0.073 0.000 0.262 263 M C 2.155 178.552 176.300 0.161 0.000 1.065 263 M CA 1.295 56.708 55.300 0.188 0.000 1.114 263 M CB -0.125 32.571 32.600 0.160 0.000 1.361 263 M HN 0.019 nan 8.290 nan 0.000 0.408 264 V N 0.753 120.787 119.914 0.200 0.000 2.295 264 V HA -0.263 3.901 4.120 0.073 0.000 0.246 264 V C 2.201 178.447 176.094 0.254 0.000 1.049 264 V CA 1.739 64.198 62.300 0.266 0.000 1.024 264 V CB -0.537 31.556 31.823 0.449 0.000 0.648 264 V HN 0.414 nan 8.190 nan 0.000 0.447 265 I N 0.127 120.856 120.570 0.266 0.000 2.163 265 I HA -0.252 3.962 4.170 0.073 0.000 0.243 265 I C 2.297 178.491 176.117 0.128 0.000 1.085 265 I CA 1.707 63.125 61.300 0.197 0.000 1.347 265 I CB -0.528 37.549 38.000 0.127 0.000 1.044 265 I HN 0.307 nan 8.210 nan 0.000 0.408 266 D N 0.868 121.341 120.400 0.121 0.000 2.123 266 D HA -0.149 4.535 4.640 0.073 0.000 0.196 266 D C 2.218 178.554 176.300 0.061 0.000 0.992 266 D CA 1.409 55.465 54.000 0.092 0.000 0.833 266 D CB -0.175 40.697 40.800 0.120 0.000 0.954 266 D HN 0.350 nan 8.370 nan 0.000 0.455 267 I N 0.087 120.698 120.570 0.069 0.000 2.233 267 I HA -0.195 4.018 4.170 0.073 0.000 0.243 267 I C 2.374 178.522 176.117 0.052 0.000 1.093 267 I CA 0.547 61.871 61.300 0.039 0.000 1.380 267 I CB -0.091 37.928 38.000 0.032 0.000 1.067 267 I HN -0.123 nan 8.210 nan 0.000 0.413 268 V N 0.995 120.962 119.914 0.088 0.000 2.427 268 V HA -0.237 3.927 4.120 0.073 0.000 0.248 268 V C 2.368 178.520 176.094 0.097 0.000 1.051 268 V CA 1.467 63.836 62.300 0.114 0.000 1.048 268 V CB -0.502 31.406 31.823 0.141 0.000 0.666 268 V HN 0.369 nan 8.190 nan 0.000 0.456 269 L N 0.319 121.583 121.223 0.069 0.000 2.127 269 L HA -0.157 4.226 4.340 0.073 0.000 0.211 269 L C 2.543 179.427 176.870 0.023 0.000 1.089 269 L CA 1.466 56.329 54.840 0.038 0.000 0.757 269 L CB -0.661 41.414 42.059 0.027 0.000 0.899 269 L HN 0.388 nan 8.230 nan 0.000 0.434 270 A N -0.373 122.454 122.820 0.012 0.000 2.209 270 A HA -0.111 4.253 4.320 0.073 0.000 0.212 270 A C 2.218 179.767 177.584 -0.058 0.000 1.158 270 A CA 1.440 53.455 52.037 -0.038 0.000 0.742 270 A CB -0.667 18.303 19.000 -0.051 0.000 0.790 270 A HN 0.516 nan 8.150 nan 0.000 0.472 271 T N -2.407 112.171 114.554 0.039 0.000 3.113 271 T HA -0.006 4.388 4.350 0.073 0.000 0.256 271 T C 0.576 175.364 174.700 0.148 0.000 1.131 271 T CA 0.386 62.563 62.100 0.128 0.000 1.074 271 T CB -0.431 68.562 68.868 0.210 0.000 0.944 271 T HN 0.324 nan 8.240 nan 0.000 0.516 272 D N 1.415 121.867 120.400 0.086 0.000 2.412 272 D HA 0.004 4.688 4.640 0.073 0.000 0.257 272 D C 1.173 177.524 176.300 0.086 0.000 1.217 272 D CA -0.221 53.828 54.000 0.082 0.000 0.897 272 D CB 0.636 41.458 40.800 0.038 0.000 1.132 272 D HN 0.005 nan 8.370 nan 0.000 0.493 273 M N 2.710 122.392 119.600 0.137 0.000 2.358 273 M HA -0.144 4.379 4.480 0.073 0.000 0.264 273 M C 1.985 178.373 176.300 0.147 0.000 1.064 273 M CA 0.748 56.152 55.300 0.173 0.000 1.093 273 M CB -1.093 31.619 32.600 0.186 0.000 1.401 273 M HN 0.534 nan 8.290 nan 0.000 0.440 274 S N -0.142 115.617 115.700 0.097 0.000 2.474 274 S HA -0.091 4.423 4.470 0.073 0.000 0.235 274 S C 1.588 176.228 174.600 0.065 0.000 0.997 274 S CA 0.748 58.995 58.200 0.079 0.000 0.949 274 S CB -0.285 62.946 63.200 0.053 0.000 0.766 274 S HN 0.510 nan 8.310 nan 0.000 0.517 275 K N -0.204 120.223 120.400 0.045 0.000 2.374 275 K HA 0.148 4.512 4.320 0.073 0.000 0.196 275 K C 1.572 178.158 176.600 -0.024 0.000 1.023 275 K CA 0.368 56.654 56.287 -0.002 0.000 1.103 275 K CB -0.104 32.375 32.500 -0.036 0.000 0.848 275 K HN 0.537 nan 8.250 nan 0.000 0.528 276 H N 1.608 120.648 119.070 -0.051 0.000 2.319 276 H HA -0.120 4.480 4.556 0.073 0.000 0.297 276 H C 1.887 177.232 175.328 0.028 0.000 1.097 276 H CA 1.932 57.968 56.048 -0.020 0.000 1.285 276 H CB 0.162 30.015 29.762 0.152 0.000 1.368 276 H HN -0.039 nan 8.280 nan 0.000 0.495 277 M N 0.353 119.876 119.600 -0.128 0.000 2.117 277 M HA -0.146 4.377 4.480 0.073 0.000 0.262 277 M C 1.829 178.048 176.300 -0.134 0.000 1.065 277 M CA 1.211 56.415 55.300 -0.160 0.000 1.114 277 M CB -0.897 31.705 32.600 0.003 0.000 1.361 277 M HN 0.378 nan 8.290 nan 0.000 0.408 278 N N 0.510 119.159 118.700 -0.085 0.000 2.142 278 N HA -0.022 4.762 4.740 0.073 0.000 0.186 278 N C 1.911 177.371 175.510 -0.083 0.000 1.023 278 N CA 0.896 53.908 53.050 -0.064 0.000 0.852 278 N CB -0.420 38.044 38.487 -0.039 0.000 0.998 278 N HN 0.314 nan 8.380 nan 0.000 0.424 279 L N 0.112 121.265 121.223 -0.117 0.000 2.012 279 L HA -0.164 4.220 4.340 0.073 0.000 0.210 279 L C 2.144 178.958 176.870 -0.093 0.000 1.073 279 L CA 0.892 55.666 54.840 -0.109 0.000 0.748 279 L CB -0.329 41.632 42.059 -0.163 0.000 0.891 279 L HN 0.178 nan 8.230 nan 0.000 0.431 280 L N -0.053 121.075 121.223 -0.159 0.000 2.046 280 L HA -0.136 4.247 4.340 0.073 0.000 0.208 280 L C 2.613 179.440 176.870 -0.072 0.000 1.077 280 L CA 2.040 56.805 54.840 -0.126 0.000 0.747 280 L CB -0.809 41.104 42.059 -0.245 0.000 0.896 280 L HN 0.159 nan 8.230 nan 0.000 0.432 281 A N -0.778 121.997 122.820 -0.075 0.000 1.908 281 A HA -0.233 4.131 4.320 0.073 0.000 0.218 281 A C 1.995 179.561 177.584 -0.030 0.000 1.181 281 A CA 2.007 54.020 52.037 -0.041 0.000 0.627 281 A CB -0.837 18.142 19.000 -0.035 0.000 0.818 281 A HN 0.528 nan 8.150 nan 0.000 0.445 282 D N -0.701 119.679 120.400 -0.033 0.000 2.178 282 D HA -0.081 4.602 4.640 0.073 0.000 0.202 282 D C 1.795 178.085 176.300 -0.018 0.000 0.974 282 D CA 0.946 54.932 54.000 -0.024 0.000 0.841 282 D CB -0.328 40.457 40.800 -0.025 0.000 0.953 282 D HN 0.348 nan 8.370 nan 0.000 0.478 283 L N 1.134 122.349 121.223 -0.013 0.000 2.093 283 L HA -0.115 4.269 4.340 0.073 0.000 0.208 283 L C 1.854 178.718 176.870 -0.011 0.000 1.085 283 L CA 1.704 56.545 54.840 0.002 0.000 0.755 283 L CB -0.188 41.890 42.059 0.031 0.000 0.904 283 L HN -0.158 nan 8.230 nan 0.000 0.435 284 K N -1.339 119.054 120.400 -0.013 0.000 2.057 284 K HA -0.117 4.247 4.320 0.073 0.000 0.207 284 K C 1.870 178.459 176.600 -0.019 0.000 1.049 284 K CA 1.813 58.091 56.287 -0.014 0.000 0.931 284 K CB -0.337 32.158 32.500 -0.009 0.000 0.714 284 K HN 0.367 nan 8.250 nan 0.000 0.440 285 T N 1.678 116.220 114.554 -0.018 0.000 2.788 285 T HA -0.164 4.230 4.350 0.073 0.000 0.268 285 T C 1.715 176.400 174.700 -0.025 0.000 1.044 285 T CA 1.374 63.462 62.100 -0.019 0.000 1.139 285 T CB -0.087 68.771 68.868 -0.016 0.000 0.867 285 T HN 0.291 nan 8.240 nan 0.000 0.454 286 M N 0.932 120.515 119.600 -0.028 0.000 2.132 286 M HA -0.062 4.461 4.480 0.073 0.000 0.263 286 M C 2.065 178.335 176.300 -0.050 0.000 1.065 286 M CA 1.426 56.703 55.300 -0.037 0.000 1.122 286 M CB -0.264 32.314 32.600 -0.036 0.000 1.365 286 M HN 0.038 nan 8.290 nan 0.000 0.411 287 V N 1.034 120.917 119.914 -0.052 0.000 2.407 287 V HA -0.253 3.910 4.120 0.073 0.000 0.248 287 V C 1.974 178.036 176.094 -0.053 0.000 1.055 287 V CA 2.172 64.434 62.300 -0.063 0.000 1.049 287 V CB -0.839 30.950 31.823 -0.057 0.000 0.662 287 V HN 0.561 nan 8.190 nan 0.000 0.455 288 E N 0.120 120.295 120.200 -0.040 0.000 2.208 288 E HA -0.119 4.274 4.350 0.073 0.000 0.193 288 E C 1.906 178.485 176.600 -0.036 0.000 0.988 288 E CA 1.529 57.908 56.400 -0.035 0.000 0.828 288 E CB -0.073 29.611 29.700 -0.026 0.000 0.763 288 E HN 0.774 nan 8.360 nan 0.000 0.478 289 T N -1.253 113.279 114.554 -0.037 0.000 3.134 289 T HA 0.143 4.536 4.350 0.073 0.000 0.260 289 T C 0.455 175.130 174.700 -0.043 0.000 1.027 289 T CA -0.531 61.548 62.100 -0.035 0.000 0.913 289 T CB 0.018 68.869 68.868 -0.029 0.000 1.046 289 T HN -0.105 nan 8.240 nan 0.000 0.553 290 K N 2.141 122.510 120.400 -0.053 0.000 2.550 290 K HA 0.003 4.367 4.320 0.073 0.000 0.280 290 K C -0.607 175.957 176.600 -0.059 0.000 0.987 290 K CA 0.522 56.771 56.287 -0.064 0.000 1.048 290 K CB 0.308 32.762 32.500 -0.076 0.000 0.879 290 K HN 0.260 nan 8.250 nan 0.000 0.491 291 K N 3.642 124.004 120.400 -0.063 0.000 2.426 291 K HA 0.349 4.713 4.320 0.073 0.000 0.254 291 K C -1.175 175.385 176.600 -0.066 0.000 0.936 291 K CA -0.968 55.284 56.287 -0.058 0.000 0.801 291 K CB 1.954 34.423 32.500 -0.050 0.000 1.139 291 K HN 0.501 nan 8.250 nan 0.000 0.424 292 V N -1.298 118.580 119.914 -0.060 0.000 3.130 292 V HA 0.583 4.747 4.120 0.073 0.000 0.310 292 V C 0.209 176.272 176.094 -0.052 0.000 1.158 292 V CA -0.938 61.325 62.300 -0.062 0.000 1.029 292 V CB 1.436 33.220 31.823 -0.064 0.000 1.057 292 V HN 0.873 nan 8.190 nan 0.000 0.436 293 T N -0.656 113.868 114.554 -0.051 0.000 2.729 293 T HA 0.276 4.670 4.350 0.073 0.000 0.298 293 T C 1.392 176.071 174.700 -0.036 0.000 1.013 293 T CA 0.373 62.448 62.100 -0.042 0.000 0.957 293 T CB 0.746 69.589 68.868 -0.042 0.000 1.130 293 T HN 1.772 nan 8.240 nan 0.000 0.526 294 S N -0.576 115.106 115.700 -0.030 0.000 2.507 294 S HA -0.035 4.478 4.470 0.073 0.000 0.235 294 S C 1.666 176.251 174.600 -0.024 0.000 0.988 294 S CA 0.558 58.742 58.200 -0.025 0.000 0.944 294 S CB -0.694 62.494 63.200 -0.022 0.000 0.762 294 S HN 0.619 nan 8.310 nan 0.000 0.526 295 S N 0.442 116.127 115.700 -0.026 0.000 2.556 295 S HA 0.498 5.011 4.470 0.073 0.000 0.216 295 S C 1.301 175.885 174.600 -0.027 0.000 0.970 295 S CA 0.151 58.336 58.200 -0.024 0.000 0.912 295 S CB 0.275 63.460 63.200 -0.025 0.000 0.790 295 S HN 1.022 nan 8.310 nan 0.000 0.504 296 G N 1.398 110.177 108.800 -0.033 0.000 2.136 296 G HA2 -0.235 3.769 3.960 0.073 0.000 0.242 296 G HA3 -0.235 3.769 3.960 0.073 0.000 0.242 296 G C 0.024 174.890 174.900 -0.056 0.000 0.989 296 G CA -0.044 45.033 45.100 -0.039 0.000 0.682 296 G HN 0.407 nan 8.290 nan 0.000 0.522 297 V N 1.951 121.829 119.914 -0.059 0.000 2.498 297 V HA 0.402 4.565 4.120 0.073 0.000 0.279 297 V C 1.402 177.440 176.094 -0.093 0.000 1.048 297 V CA -0.605 61.650 62.300 -0.075 0.000 0.967 297 V CB 1.452 33.234 31.823 -0.068 0.000 0.988 297 V HN 0.345 nan 8.190 nan 0.000 0.473 298 L N 5.829 126.981 121.223 -0.120 0.000 2.490 298 L HA 0.214 4.598 4.340 0.073 0.000 0.274 298 L C -0.203 176.583 176.870 -0.139 0.000 1.201 298 L CA 0.115 54.874 54.840 -0.135 0.000 0.869 298 L CB 0.241 42.200 42.059 -0.166 0.000 1.123 298 L HN 0.459 nan 8.230 nan 0.000 0.484 299 L N 6.055 127.210 121.223 -0.114 0.000 2.277 299 L HA 0.459 4.842 4.340 0.073 0.000 0.284 299 L C -0.606 176.204 176.870 -0.100 0.000 1.028 299 L CA -0.230 54.549 54.840 -0.102 0.000 0.835 299 L CB 0.933 42.948 42.059 -0.074 0.000 1.215 299 L HN 0.468 nan 8.230 nan 0.000 0.425 300 L N 3.007 124.159 121.223 -0.119 0.000 2.377 300 L HA 0.333 4.716 4.340 0.073 0.000 0.270 300 L C 0.189 177.022 176.870 -0.062 0.000 0.991 300 L CA -0.292 54.492 54.840 -0.093 0.000 0.851 300 L CB 1.996 43.979 42.059 -0.126 0.000 1.218 300 L HN 0.432 nan 8.230 nan 0.000 0.420 301 D N 1.559 121.941 120.400 -0.030 0.000 2.290 301 D HA -0.043 4.641 4.640 0.073 0.000 0.224 301 D C 0.652 176.968 176.300 0.026 0.000 0.967 301 D CA 0.809 54.805 54.000 -0.007 0.000 0.893 301 D CB 0.481 41.277 40.800 -0.007 0.000 1.037 301 D HN 0.670 nan 8.370 nan 0.000 0.477 302 N N -1.278 117.443 118.700 0.034 0.000 2.476 302 N HA 0.044 4.828 4.740 0.073 0.000 0.275 302 N C 0.480 176.057 175.510 0.111 0.000 1.190 302 N CA -0.609 52.487 53.050 0.076 0.000 0.977 302 N CB 0.120 38.646 38.487 0.065 0.000 1.200 302 N HN -0.025 nan 8.380 nan 0.000 0.515 303 Y N 0.563 120.882 120.300 0.032 0.000 2.165 303 Y HA -0.225 4.369 4.550 0.073 0.000 0.286 303 Y C 2.566 178.494 175.900 0.048 0.000 1.155 303 Y CA 2.138 60.264 58.100 0.044 0.000 1.164 303 Y CB -0.681 37.799 38.460 0.033 0.000 0.978 303 Y HN 0.702 nan 8.280 nan 0.000 0.513 304 S N -0.228 115.477 115.700 0.008 0.000 2.365 304 S HA -0.224 4.290 4.470 0.073 0.000 0.225 304 S C 1.766 176.301 174.600 -0.108 0.000 1.039 304 S CA 2.019 60.178 58.200 -0.069 0.000 1.033 304 S CB -0.503 62.707 63.200 0.017 0.000 0.887 304 S HN 0.621 nan 8.310 nan 0.000 0.447 305 D N 0.477 120.844 120.400 -0.055 0.000 2.123 305 D HA 0.009 4.693 4.640 0.073 0.000 0.200 305 D C 2.335 178.622 176.300 -0.022 0.000 0.976 305 D CA 0.824 54.803 54.000 -0.036 0.000 0.831 305 D CB -0.294 40.494 40.800 -0.020 0.000 0.974 305 D HN 0.438 nan 8.370 nan 0.000 0.469 306 R N 0.121 120.608 120.500 -0.022 0.000 2.066 306 R HA -0.061 4.323 4.340 0.073 0.000 0.232 306 R C 2.257 178.578 176.300 0.035 0.000 1.131 306 R CA 0.603 56.767 56.100 0.106 0.000 0.955 306 R CB -0.315 30.079 30.300 0.158 0.000 0.851 306 R HN 0.101 nan 8.270 nan 0.000 0.432 307 I N 1.330 121.734 120.570 -0.277 0.000 2.394 307 I HA -0.236 3.978 4.170 0.073 0.000 0.251 307 I C 2.404 178.432 176.117 -0.147 0.000 1.136 307 I CA 1.416 62.522 61.300 -0.323 0.000 1.425 307 I CB -0.282 37.285 38.000 -0.723 0.000 1.079 307 I HN 0.180 nan 8.210 nan 0.000 0.425 308 Q N -0.299 119.437 119.800 -0.107 0.000 2.084 308 Q HA -0.169 4.215 4.340 0.073 0.000 0.202 308 Q C 2.165 178.187 176.000 0.038 0.000 0.978 308 Q CA 2.138 57.920 55.803 -0.036 0.000 0.844 308 Q CB 0.004 28.725 28.738 -0.029 0.000 0.898 308 Q HN 0.408 nan 8.270 nan 0.000 0.426 309 V N 0.983 120.955 119.914 0.096 0.000 2.427 309 V HA -0.252 3.911 4.120 0.073 0.000 0.248 309 V C 2.282 178.494 176.094 0.197 0.000 1.051 309 V CA 1.368 63.801 62.300 0.222 0.000 1.048 309 V CB -0.436 31.573 31.823 0.310 0.000 0.666 309 V HN 0.386 nan 8.190 nan 0.000 0.456 310 L N -0.680 120.565 121.223 0.037 0.000 2.093 310 L HA -0.207 4.176 4.340 0.073 0.000 0.208 310 L C 2.652 179.482 176.870 -0.066 0.000 1.085 310 L CA 1.484 56.256 54.840 -0.114 0.000 0.755 310 L CB -0.563 41.353 42.059 -0.238 0.000 0.904 310 L HN 0.360 nan 8.230 nan 0.000 0.435 311 Q N -0.197 119.582 119.800 -0.036 0.000 2.050 311 Q HA -0.182 4.202 4.340 0.073 0.000 0.202 311 Q C 2.057 178.048 176.000 -0.014 0.000 0.980 311 Q CA 1.441 57.226 55.803 -0.030 0.000 0.840 311 Q CB -0.107 28.611 28.738 -0.033 0.000 0.898 311 Q HN 0.494 nan 8.270 nan 0.000 0.424 312 N N 0.319 119.033 118.700 0.022 0.000 2.244 312 N HA -0.135 4.648 4.740 0.073 0.000 0.183 312 N C 1.724 177.119 175.510 -0.192 0.000 1.016 312 N CA 0.912 53.980 53.050 0.031 0.000 0.866 312 N CB -0.099 38.479 38.487 0.153 0.000 0.980 312 N HN 0.294 nan 8.380 nan 0.000 0.430 313 M N 0.761 120.223 119.600 -0.230 0.000 2.067 313 M HA -0.127 4.397 4.480 0.073 0.000 0.260 313 M C 1.779 177.841 176.300 -0.397 0.000 1.069 313 M CA 1.426 56.387 55.300 -0.566 0.000 1.117 313 M CB 0.036 32.496 32.600 -0.232 0.000 1.334 313 M HN -0.150 nan 8.290 nan 0.000 0.407 314 V N -0.166 119.622 119.914 -0.210 0.000 2.515 314 V HA -0.257 3.907 4.120 0.073 0.000 0.250 314 V C 2.338 178.345 176.094 -0.144 0.000 1.058 314 V CA 2.149 64.347 62.300 -0.171 0.000 1.064 314 V CB -1.271 30.474 31.823 -0.129 0.000 0.675 314 V HN 0.607 nan 8.190 nan 0.000 0.461 315 H N -0.350 118.598 119.070 -0.204 0.000 2.353 315 H HA -0.174 4.428 4.556 0.076 0.000 0.300 315 H C 2.256 177.465 175.328 -0.198 0.000 1.090 315 H CA 2.195 58.155 56.048 -0.145 0.000 1.327 315 H CB -0.598 29.112 29.762 -0.088 0.000 1.383 315 H HN 0.396 nan 8.280 nan 0.000 0.508 316 C N 0.388 119.408 119.300 -0.467 0.000 2.429 316 C HA -0.035 4.469 4.460 0.073 0.000 0.277 316 C C 3.121 178.005 174.990 -0.178 0.000 1.262 316 C CA 1.074 59.666 59.018 -0.710 0.000 1.733 316 C CB -1.369 25.502 27.740 -1.448 0.000 2.010 316 C HN 0.784 nan 8.230 nan 0.000 0.483 317 A N 0.271 123.001 122.820 -0.149 0.000 1.902 317 A HA -0.246 4.117 4.320 0.073 0.000 0.217 317 A C 1.859 179.399 177.584 -0.073 0.000 1.181 317 A CA 2.349 54.378 52.037 -0.014 0.000 0.623 317 A CB -0.739 18.204 19.000 -0.095 0.000 0.818 317 A HN 0.574 nan 8.150 nan 0.000 0.443 318 D N -0.339 119.990 120.400 -0.118 0.000 2.144 318 D HA -0.071 4.613 4.640 0.073 0.000 0.199 318 D C 1.103 177.450 176.300 0.078 0.000 0.984 318 D CA 0.896 54.883 54.000 -0.021 0.000 0.834 318 D CB -0.117 40.688 40.800 0.009 0.000 0.955 318 D HN 0.394 nan 8.370 nan 0.000 0.465 319 L N 0.415 121.644 121.223 0.010 0.000 3.034 319 L HA 0.219 4.603 4.340 0.073 0.000 0.245 319 L C 1.256 178.258 176.870 0.218 0.000 1.295 319 L CA -0.034 54.850 54.840 0.074 0.000 1.068 319 L CB 0.225 42.218 42.059 -0.110 0.000 1.426 319 L HN 0.018 nan 8.230 nan 0.000 0.531 320 S N -3.136 112.663 115.700 0.164 0.000 2.535 320 S HA -0.008 4.506 4.470 0.073 0.000 0.214 320 S C 1.210 175.751 174.600 -0.098 0.000 0.980 320 S CA -0.119 58.172 58.200 0.151 0.000 0.907 320 S CB -0.219 63.092 63.200 0.186 0.000 0.790 320 S HN 0.509 nan 8.310 nan 0.000 0.510 321 N N 3.123 121.748 118.700 -0.125 0.000 2.061 321 N HA -0.072 4.712 4.740 0.073 0.000 0.193 321 N C -1.321 173.992 175.510 -0.328 0.000 1.030 321 N CA 1.558 54.532 53.050 -0.127 0.000 0.856 321 N CB -1.011 37.502 38.487 0.044 0.000 1.023 321 N HN 0.422 nan 8.380 nan 0.000 0.424 322 P HA -0.070 nan 4.420 nan 0.000 0.230 322 P C 0.914 177.870 177.300 -0.573 0.000 1.158 322 P CA 1.174 63.519 63.100 -1.257 0.000 0.769 322 P CB -0.046 31.211 31.700 -0.738 0.000 0.807 323 T N -5.151 109.188 114.554 -0.357 0.000 3.086 323 T HA 0.160 4.554 4.350 0.073 0.000 0.250 323 T C 0.801 175.526 174.700 0.041 0.000 1.074 323 T CA -0.129 61.837 62.100 -0.222 0.000 0.988 323 T CB -0.237 68.344 68.868 -0.479 0.000 0.988 323 T HN -0.160 nan 8.240 nan 0.000 0.530 324 K N 2.029 122.418 120.400 -0.018 0.000 2.090 324 K HA 0.467 4.830 4.320 0.073 0.000 0.249 324 K C -2.832 173.825 176.600 0.095 0.000 0.995 324 K CA -2.767 53.531 56.287 0.017 0.000 0.914 324 K CB 0.367 32.855 32.500 -0.020 0.000 1.057 324 K HN 0.013 nan 8.250 nan 0.000 0.462 325 P HA -0.097 nan 4.420 nan 0.000 0.263 325 P C 0.937 178.287 177.300 0.082 0.000 1.175 325 P CA 0.043 63.186 63.100 0.073 0.000 0.761 325 P CB 0.353 32.087 31.700 0.057 0.000 0.794 326 L N 4.174 125.409 121.223 0.020 0.000 2.051 326 L HA -0.268 4.116 4.340 0.073 0.000 0.214 326 L C 2.322 179.131 176.870 -0.102 0.000 1.076 326 L CA 2.008 56.817 54.840 -0.051 0.000 0.758 326 L CB -1.047 40.814 42.059 -0.330 0.000 0.890 326 L HN 0.449 nan 8.230 nan 0.000 0.433 327 Q N -1.075 118.651 119.800 -0.124 0.000 2.135 327 Q HA -0.224 4.160 4.340 0.073 0.000 0.204 327 Q C 2.225 178.174 176.000 -0.085 0.000 0.981 327 Q CA 2.054 57.771 55.803 -0.144 0.000 0.856 327 Q CB -0.140 28.512 28.738 -0.143 0.000 0.902 327 Q HN 0.631 nan 8.270 nan 0.000 0.425 328 L N -0.788 120.455 121.223 0.034 0.000 2.044 328 L HA -0.158 4.226 4.340 0.073 0.000 0.205 328 L C 2.423 179.459 176.870 0.278 0.000 1.075 328 L CA 0.980 55.907 54.840 0.145 0.000 0.747 328 L CB -0.695 41.508 42.059 0.240 0.000 0.903 328 L HN 0.342 nan 8.230 nan 0.000 0.435 329 Y N 1.611 122.041 120.300 0.217 0.000 2.114 329 Y HA -0.279 4.311 4.550 0.066 0.000 0.282 329 Y C 2.683 178.741 175.900 0.262 0.000 1.165 329 Y CA 1.513 59.809 58.100 0.326 0.000 1.148 329 Y CB -0.526 38.085 38.460 0.252 0.000 0.972 329 Y HN 0.033 nan 8.280 nan 0.000 0.504 330 R N -0.150 120.374 120.500 0.039 0.000 2.105 330 R HA -0.200 4.184 4.340 0.073 0.000 0.239 330 R C 2.345 178.599 176.300 -0.076 0.000 1.135 330 R CA 1.804 57.855 56.100 -0.083 0.000 0.967 330 R CB -0.323 29.866 30.300 -0.185 0.000 0.861 330 R HN 0.538 nan 8.270 nan 0.000 0.442 331 Q N -0.842 118.854 119.800 -0.175 0.000 2.119 331 Q HA -0.174 4.210 4.340 0.073 0.000 0.201 331 Q C 1.781 177.641 176.000 -0.233 0.000 0.972 331 Q CA 1.445 57.006 55.803 -0.403 0.000 0.847 331 Q CB -0.084 28.094 28.738 -0.933 0.000 0.903 331 Q HN 0.475 nan 8.270 nan 0.000 0.433 332 W N 0.351 121.736 121.300 0.142 0.000 2.388 332 W HA -0.146 4.534 4.660 0.035 0.000 0.294 332 W C 2.401 179.007 176.519 0.146 0.000 1.212 332 W CA 1.046 58.549 57.345 0.264 0.000 1.271 332 W CB -0.197 29.499 29.460 0.393 0.000 1.126 332 W HN 0.077 nan 8.180 nan 0.000 0.535 333 T N -0.049 114.672 114.554 0.279 0.000 2.746 333 T HA -0.200 4.194 4.350 0.073 0.000 0.267 333 T C 1.077 175.746 174.700 -0.052 0.000 1.039 333 T CA 1.736 63.872 62.100 0.060 0.000 1.142 333 T CB -0.500 68.370 68.868 0.003 0.000 0.866 333 T HN 0.021 nan 8.240 nan 0.000 0.444 334 D N 0.807 121.180 120.400 -0.045 0.000 2.149 334 D HA -0.041 4.642 4.640 0.073 0.000 0.198 334 D C 2.395 178.624 176.300 -0.118 0.000 0.990 334 D CA 0.972 54.914 54.000 -0.096 0.000 0.839 334 D CB -0.165 40.567 40.800 -0.114 0.000 0.948 334 D HN 0.325 nan 8.370 nan 0.000 0.460 335 R N -0.229 120.243 120.500 -0.048 0.000 2.062 335 R HA -0.027 4.357 4.340 0.073 0.000 0.229 335 R C 2.298 178.543 176.300 -0.093 0.000 1.128 335 R CA 0.468 56.567 56.100 -0.001 0.000 0.960 335 R CB -0.292 30.100 30.300 0.154 0.000 0.855 335 R HN 0.116 nan 8.270 nan 0.000 0.432 336 I N 0.599 121.046 120.570 -0.204 0.000 2.315 336 I HA -0.224 3.990 4.170 0.073 0.000 0.248 336 I C 1.808 177.413 176.117 -0.855 0.000 1.117 336 I CA 1.432 62.281 61.300 -0.751 0.000 1.404 336 I CB 0.034 37.324 38.000 -1.183 0.000 1.071 336 I HN 0.123 nan 8.210 nan 0.000 0.419 337 M N -0.342 118.889 119.600 -0.615 0.000 2.175 337 M HA -0.188 4.336 4.480 0.073 0.000 0.264 337 M C 2.211 178.049 176.300 -0.769 0.000 1.063 337 M CA 1.474 56.320 55.300 -0.757 0.000 1.119 337 M CB -1.458 30.734 32.600 -0.679 0.000 1.377 337 M HN 0.386 nan 8.290 nan 0.000 0.415 338 E N 0.410 120.372 120.200 -0.396 0.000 2.077 338 E HA -0.236 4.158 4.350 0.073 0.000 0.193 338 E C 1.965 178.511 176.600 -0.089 0.000 0.989 338 E CA 1.429 57.732 56.400 -0.163 0.000 0.800 338 E CB 0.032 29.686 29.700 -0.077 0.000 0.746 338 E HN 0.584 nan 8.360 nan 0.000 0.452 339 E N -0.671 119.442 120.200 -0.144 0.000 2.051 339 E HA -0.184 4.210 4.350 0.073 0.000 0.192 339 E C 1.877 178.523 176.600 0.076 0.000 0.991 339 E CA 1.089 57.457 56.400 -0.053 0.000 0.799 339 E CB -0.109 29.525 29.700 -0.110 0.000 0.748 339 E HN 0.246 nan 8.360 nan 0.000 0.449 340 F N 0.229 120.084 119.950 -0.158 0.000 2.095 340 F HA -0.179 4.394 4.527 0.077 0.000 0.298 340 F C 2.188 178.015 175.800 0.045 0.000 1.104 340 F CA 0.851 58.783 58.000 -0.113 0.000 1.232 340 F CB -1.041 37.836 39.000 -0.206 0.000 0.987 340 F HN 0.123 nan 8.300 nan 0.000 0.475 341 F N 0.483 120.511 119.950 0.130 0.000 2.161 341 F HA -0.164 4.408 4.527 0.076 0.000 0.300 341 F C 2.450 178.253 175.800 0.006 0.000 1.089 341 F CA 0.917 58.935 58.000 0.031 0.000 1.282 341 F CB -1.372 37.622 39.000 -0.009 0.000 1.010 341 F HN -0.020 nan 8.300 nan 0.000 0.485 342 R N -0.144 120.474 120.500 0.196 0.000 2.092 342 R HA -0.187 4.197 4.340 0.073 0.000 0.231 342 R C 2.195 178.515 176.300 0.034 0.000 1.119 342 R CA 1.346 57.502 56.100 0.092 0.000 0.970 342 R CB -0.534 29.803 30.300 0.062 0.000 0.864 342 R HN 0.376 nan 8.270 nan 0.000 0.440 343 Q N 0.092 119.897 119.800 0.009 0.000 2.084 343 Q HA -0.126 4.258 4.340 0.073 0.000 0.202 343 Q C 1.997 177.985 176.000 -0.020 0.000 0.978 343 Q CA 1.796 57.520 55.803 -0.132 0.000 0.844 343 Q CB -0.210 28.430 28.738 -0.163 0.000 0.898 343 Q HN 0.411 nan 8.270 nan 0.000 0.426 344 G N 0.464 109.302 108.800 0.064 0.000 2.422 344 G HA2 -0.257 3.746 3.960 0.073 0.000 0.218 344 G HA3 -0.257 3.746 3.960 0.073 0.000 0.218 344 G C 0.917 175.861 174.900 0.072 0.000 1.146 344 G CA 0.993 46.142 45.100 0.081 0.000 0.769 344 G HN 0.381 nan 8.290 nan 0.000 0.547 345 D N 0.429 120.866 120.400 0.061 0.000 2.144 345 D HA -0.035 4.649 4.640 0.073 0.000 0.200 345 D C 2.704 179.051 176.300 0.079 0.000 0.978 345 D CA 0.574 54.608 54.000 0.056 0.000 0.833 345 D CB -0.161 40.666 40.800 0.045 0.000 0.961 345 D HN 0.277 nan 8.370 nan 0.000 0.470 346 R N 0.523 121.077 120.500 0.089 0.000 2.090 346 R HA -0.025 4.358 4.340 0.073 0.000 0.228 346 R C 2.192 178.623 176.300 0.219 0.000 1.110 346 R CA 0.851 57.041 56.100 0.150 0.000 0.973 346 R CB -0.069 30.319 30.300 0.147 0.000 0.869 346 R HN 0.284 nan 8.270 nan 0.000 0.440 347 E N 0.266 120.610 120.200 0.240 0.000 2.072 347 E HA -0.183 4.210 4.350 0.073 0.000 0.191 347 E C 2.078 178.749 176.600 0.118 0.000 0.985 347 E CA 0.809 57.339 56.400 0.216 0.000 0.801 347 E CB -0.035 29.788 29.700 0.204 0.000 0.750 347 E HN 0.201 nan 8.360 nan 0.000 0.452 348 R N 1.327 121.886 120.500 0.097 0.000 2.081 348 R HA -0.170 4.214 4.340 0.073 0.000 0.235 348 R C 2.241 178.578 176.300 0.062 0.000 1.131 348 R CA 1.760 57.903 56.100 0.072 0.000 0.960 348 R CB -0.069 30.274 30.300 0.072 0.000 0.856 348 R HN 0.259 nan 8.270 nan 0.000 0.436 349 E N -0.277 119.965 120.200 0.070 0.000 2.358 349 E HA -0.159 4.235 4.350 0.073 0.000 0.195 349 E C 1.455 178.086 176.600 0.053 0.000 1.010 349 E CA 0.621 57.055 56.400 0.058 0.000 0.856 349 E CB 0.047 29.783 29.700 0.060 0.000 0.795 349 E HN 0.295 nan 8.360 nan 0.000 0.504 350 R N -0.099 120.438 120.500 0.062 0.000 2.300 350 R HA 0.124 4.507 4.340 0.073 0.000 0.199 350 R C 0.943 177.257 176.300 0.024 0.000 0.920 350 R CA 0.518 56.643 56.100 0.042 0.000 1.046 350 R CB 0.526 30.852 30.300 0.043 0.000 0.984 350 R HN 0.349 nan 8.270 nan 0.000 0.493 351 G N 1.346 110.164 108.800 0.030 0.000 2.147 351 G HA2 -0.293 3.711 3.960 0.073 0.000 0.244 351 G HA3 -0.293 3.711 3.960 0.073 0.000 0.244 351 G C 0.061 174.970 174.900 0.015 0.000 1.005 351 G CA 0.129 45.241 45.100 0.020 0.000 0.713 351 G HN 0.144 nan 8.290 nan 0.000 0.515 352 M N -0.131 119.483 119.600 0.024 0.000 2.368 352 M HA 0.438 4.962 4.480 0.073 0.000 0.311 352 M C 0.652 176.969 176.300 0.028 0.000 1.168 352 M CA -0.612 54.697 55.300 0.016 0.000 1.044 352 M CB 0.972 33.581 32.600 0.014 0.000 1.506 352 M HN 0.260 nan 8.290 nan 0.000 0.475 353 E N 1.530 121.741 120.200 0.019 0.000 2.376 353 E HA 0.157 4.551 4.350 0.073 0.000 0.266 353 E C -1.200 175.421 176.600 0.035 0.000 1.009 353 E CA -0.216 56.196 56.400 0.021 0.000 0.902 353 E CB 0.554 30.261 29.700 0.011 0.000 0.972 353 E HN 0.439 nan 8.360 nan 0.000 0.439 354 I N 3.856 124.448 120.570 0.036 0.000 2.471 354 I HA 0.005 4.218 4.170 0.073 0.000 0.286 354 I C 0.563 176.692 176.117 0.021 0.000 1.079 354 I CA -0.168 61.157 61.300 0.043 0.000 1.398 354 I CB 1.186 39.211 38.000 0.042 0.000 1.403 354 I HN 0.461 nan 8.210 nan 0.000 0.530 355 S N 7.359 123.066 115.700 0.013 0.000 2.576 355 S HA 0.131 4.645 4.470 0.073 0.000 0.272 355 S C -2.145 172.414 174.600 -0.068 0.000 1.352 355 S CA -0.800 57.379 58.200 -0.036 0.000 1.021 355 S CB 0.018 63.177 63.200 -0.068 0.000 0.887 355 S HN 0.414 nan 8.310 nan 0.000 0.542 356 P HA 0.074 nan 4.420 nan 0.000 0.264 356 P C 0.310 177.528 177.300 -0.137 0.000 1.183 356 P CA 0.553 63.601 63.100 -0.086 0.000 0.763 356 P CB 0.015 31.663 31.700 -0.087 0.000 0.807 357 M N -0.421 119.161 119.600 -0.029 0.000 2.907 357 M HA -0.255 4.269 4.480 0.073 0.000 0.186 357 M C 0.140 176.535 176.300 0.158 0.000 0.631 357 M CA 0.680 56.014 55.300 0.056 0.000 0.700 357 M CB -2.658 29.960 32.600 0.029 0.000 2.523 357 M HN 0.347 nan 8.290 nan 0.000 0.323 358 C N -0.181 119.181 119.300 0.104 0.000 3.038 358 C HA 0.198 4.702 4.460 0.073 0.000 0.279 358 C C 0.914 176.047 174.990 0.239 0.000 1.276 358 C CA -0.166 58.982 59.018 0.216 0.000 1.697 358 C CB -0.284 27.476 27.740 0.033 0.000 2.032 358 C HN 0.439 nan 8.230 nan 0.000 0.636 359 D N 1.701 122.174 120.400 0.122 0.000 2.428 359 D HA 0.096 4.780 4.640 0.073 0.000 0.221 359 D C 1.333 177.434 176.300 -0.333 0.000 1.123 359 D CA -0.022 53.943 54.000 -0.058 0.000 0.869 359 D CB 0.675 41.472 40.800 -0.005 0.000 1.032 359 D HN 0.483 nan 8.370 nan 0.000 0.506 360 K N 3.095 122.996 120.400 -0.832 0.000 2.280 360 K HA -0.158 4.205 4.320 0.073 0.000 0.202 360 K C 0.596 176.747 176.600 -0.748 0.000 1.047 360 K CA 1.024 56.460 56.287 -1.419 0.000 0.942 360 K CB -0.048 31.580 32.500 -1.453 0.000 0.739 360 K HN 0.426 nan 8.250 nan 0.000 0.457 361 H N 0.476 119.382 119.070 -0.274 0.000 2.563 361 H HA 0.178 4.778 4.556 0.074 0.000 0.264 361 H C 0.204 175.477 175.328 -0.092 0.000 0.957 361 H CA 0.323 56.282 56.048 -0.148 0.000 1.173 361 H CB 0.375 30.075 29.762 -0.102 0.000 1.420 361 H HN 0.294 nan 8.280 nan 0.000 0.551 362 N N 0.612 119.311 118.700 -0.002 0.000 2.622 362 N HA 0.285 5.069 4.740 0.073 0.000 0.304 362 N C -0.628 174.899 175.510 0.028 0.000 1.844 362 N CA 0.017 53.080 53.050 0.021 0.000 0.886 362 N CB 1.533 40.039 38.487 0.032 0.000 1.366 362 N HN 0.082 nan 8.380 nan 0.000 0.491 363 A N 0.140 122.977 122.820 0.030 0.000 2.306 363 A HA 0.748 5.112 4.320 0.073 0.000 0.330 363 A C 0.118 177.764 177.584 0.104 0.000 1.146 363 A CA -0.335 51.770 52.037 0.113 0.000 0.827 363 A CB 0.843 19.987 19.000 0.240 0.000 1.178 363 A HN 0.076 nan 8.150 nan 0.000 0.490 364 S N 1.222 116.990 115.700 0.113 0.000 2.293 364 S HA 0.213 4.726 4.470 0.073 0.000 0.154 364 S C 0.830 175.486 174.600 0.093 0.000 1.602 364 S CA -0.498 57.756 58.200 0.089 0.000 1.260 364 S CB 0.833 64.073 63.200 0.067 0.000 1.270 364 S HN 0.507 nan 8.310 nan 0.000 0.416 365 V N 1.948 121.927 119.914 0.109 0.000 2.287 365 V HA -0.223 3.940 4.120 0.073 0.000 0.248 365 V C 2.189 178.315 176.094 0.053 0.000 1.053 365 V CA 2.055 64.405 62.300 0.083 0.000 1.027 365 V CB -0.407 31.477 31.823 0.102 0.000 0.646 365 V HN 0.550 nan 8.190 nan 0.000 0.447 366 E N -0.006 120.256 120.200 0.103 0.000 2.072 366 E HA -0.150 4.243 4.350 0.073 0.000 0.191 366 E C 2.230 178.878 176.600 0.079 0.000 0.985 366 E CA 1.000 57.487 56.400 0.146 0.000 0.801 366 E CB -0.282 29.524 29.700 0.178 0.000 0.750 366 E HN 0.524 nan 8.360 nan 0.000 0.452 367 K N 0.234 120.679 120.400 0.075 0.000 2.097 367 K HA -0.035 4.329 4.320 0.073 0.000 0.206 367 K C 2.266 178.915 176.600 0.082 0.000 1.049 367 K CA 1.292 57.625 56.287 0.077 0.000 0.933 367 K CB -0.090 32.452 32.500 0.070 0.000 0.717 367 K HN -0.034 nan 8.250 nan 0.000 0.442 368 S N 0.868 116.606 115.700 0.064 0.000 2.383 368 S HA -0.115 4.399 4.470 0.073 0.000 0.227 368 S C 1.851 176.504 174.600 0.088 0.000 1.026 368 S CA 0.977 59.220 58.200 0.071 0.000 0.981 368 S CB -0.063 63.166 63.200 0.048 0.000 0.818 368 S HN 0.247 nan 8.310 nan 0.000 0.472 369 Q N 0.773 120.569 119.800 -0.007 0.000 2.079 369 Q HA 0.030 4.414 4.340 0.073 0.000 0.200 369 Q C 2.424 178.494 176.000 0.116 0.000 0.974 369 Q CA 0.926 56.715 55.803 -0.023 0.000 0.840 369 Q CB -0.851 27.537 28.738 -0.584 0.000 0.898 369 Q HN 0.414 nan 8.270 nan 0.000 0.430 370 V N 0.325 120.294 119.914 0.092 0.000 2.407 370 V HA -0.193 3.971 4.120 0.073 0.000 0.248 370 V C 2.247 178.449 176.094 0.181 0.000 1.055 370 V CA 1.929 64.315 62.300 0.144 0.000 1.049 370 V CB -1.105 30.795 31.823 0.130 0.000 0.662 370 V HN 0.436 nan 8.190 nan 0.000 0.455 371 G N -0.999 107.935 108.800 0.224 0.000 2.408 371 G HA2 -0.282 3.722 3.960 0.073 0.000 0.217 371 G HA3 -0.282 3.722 3.960 0.073 0.000 0.217 371 G C 1.522 176.664 174.900 0.402 0.000 1.150 371 G CA 0.801 46.105 45.100 0.341 0.000 0.776 371 G HN 0.457 nan 8.290 nan 0.000 0.542 372 F N 1.574 121.618 119.950 0.156 0.000 2.134 372 F HA 0.018 4.586 4.527 0.068 0.000 0.299 372 F C 2.407 178.293 175.800 0.144 0.000 1.097 372 F CA 0.840 58.920 58.000 0.133 0.000 1.264 372 F CB -0.298 38.754 39.000 0.088 0.000 1.001 372 F HN 0.111 nan 8.300 nan 0.000 0.479 373 I N -0.033 120.584 120.570 0.079 0.000 2.202 373 I HA -0.276 3.937 4.170 0.073 0.000 0.242 373 I C 2.069 178.203 176.117 0.029 0.000 1.091 373 I CA 1.518 62.807 61.300 -0.018 0.000 1.368 373 I CB -0.589 37.460 38.000 0.082 0.000 1.058 373 I HN 0.013 nan 8.210 nan 0.000 0.410 374 D N 0.110 120.528 120.400 0.030 0.000 2.117 374 D HA -0.187 4.497 4.640 0.073 0.000 0.197 374 D C 1.977 178.170 176.300 -0.179 0.000 0.987 374 D CA 1.760 55.688 54.000 -0.120 0.000 0.829 374 D CB -0.205 40.445 40.800 -0.250 0.000 0.961 374 D HN 0.404 nan 8.370 nan 0.000 0.460 375 Y N -0.705 119.642 120.300 0.079 0.000 2.503 375 Y HA 0.104 4.697 4.550 0.072 0.000 0.278 375 Y C 1.938 177.902 175.900 0.106 0.000 1.111 375 Y CA 0.108 58.267 58.100 0.098 0.000 1.270 375 Y CB 0.663 39.187 38.460 0.107 0.000 1.063 375 Y HN -0.076 nan 8.280 nan 0.000 0.548 376 I N -2.447 118.210 120.570 0.145 0.000 3.623 376 I HA -0.017 4.196 4.170 0.073 0.000 0.253 376 I C 1.900 177.967 176.117 -0.082 0.000 1.144 376 I CA 0.528 61.829 61.300 0.001 0.000 1.461 376 I CB -0.884 37.020 38.000 -0.161 0.000 1.575 376 I HN -0.145 nan 8.210 nan 0.000 0.445 377 V N 1.432 121.184 119.914 -0.269 0.000 2.307 377 V HA -0.230 3.934 4.120 0.073 0.000 0.245 377 V C 2.561 178.722 176.094 0.112 0.000 1.045 377 V CA 1.953 64.153 62.300 -0.166 0.000 1.024 377 V CB -0.961 30.621 31.823 -0.402 0.000 0.651 377 V HN 0.460 nan 8.190 nan 0.000 0.449 378 H N 0.850 119.933 119.070 0.023 0.000 2.326 378 H HA -0.080 4.519 4.556 0.072 0.000 0.301 378 H C 0.011 175.407 175.328 0.115 0.000 1.081 378 H CA 2.123 58.222 56.048 0.086 0.000 1.334 378 H CB -0.940 28.841 29.762 0.032 0.000 1.385 378 H HN 0.316 nan 8.280 nan 0.000 0.504 379 P HA -0.161 nan 4.420 nan 0.000 0.216 379 P C 1.932 179.291 177.300 0.098 0.000 1.153 379 P CA 0.970 64.162 63.100 0.154 0.000 0.858 379 P CB -0.169 31.631 31.700 0.167 0.000 0.789 380 L N -1.779 119.509 121.223 0.108 0.000 2.005 380 L HA -0.059 4.325 4.340 0.073 0.000 0.207 380 L C 2.098 178.930 176.870 -0.062 0.000 1.072 380 L CA 1.787 56.644 54.840 0.028 0.000 0.744 380 L CB -1.439 40.621 42.059 0.002 0.000 0.895 380 L HN -0.051 nan 8.230 nan 0.000 0.433 381 W N 0.290 121.560 121.300 -0.050 0.000 2.402 381 W HA -0.116 4.599 4.660 0.091 0.000 0.286 381 W C 2.651 179.129 176.519 -0.068 0.000 1.221 381 W CA 1.382 58.691 57.345 -0.059 0.000 1.257 381 W CB -0.049 29.326 29.460 -0.142 0.000 1.120 381 W HN 0.328 nan 8.180 nan 0.000 0.551 382 E N -0.437 119.768 120.200 0.009 0.000 2.106 382 E HA -0.169 4.225 4.350 0.073 0.000 0.192 382 E C 1.756 178.387 176.600 0.052 0.000 0.984 382 E CA 1.757 58.137 56.400 -0.032 0.000 0.806 382 E CB -0.081 29.560 29.700 -0.099 0.000 0.750 382 E HN 0.092 nan 8.360 nan 0.000 0.458 383 T N 0.805 115.393 114.554 0.057 0.000 2.812 383 T HA -0.159 4.235 4.350 0.073 0.000 0.264 383 T C 1.253 175.987 174.700 0.057 0.000 1.042 383 T CA 1.018 63.146 62.100 0.047 0.000 1.140 383 T CB -0.480 68.412 68.868 0.040 0.000 0.870 383 T HN 0.428 nan 8.240 nan 0.000 0.445 384 W N 2.202 123.440 121.300 -0.103 0.000 2.338 384 W HA -0.166 4.538 4.660 0.074 0.000 0.304 384 W C 2.478 178.977 176.519 -0.033 0.000 1.212 384 W CA 1.351 58.620 57.345 -0.125 0.000 1.264 384 W CB -0.479 28.795 29.460 -0.310 0.000 1.142 384 W HN 0.301 nan 8.180 nan 0.000 0.512 385 A N 0.628 123.533 122.820 0.143 0.000 1.940 385 A HA -0.251 4.113 4.320 0.073 0.000 0.219 385 A C 1.670 179.250 177.584 -0.007 0.000 1.176 385 A CA 2.158 54.234 52.037 0.064 0.000 0.631 385 A CB -1.035 18.034 19.000 0.114 0.000 0.814 385 A HN 0.242 nan 8.150 nan 0.000 0.446 386 D N -0.601 119.800 120.400 0.001 0.000 2.144 386 D HA -0.107 4.577 4.640 0.073 0.000 0.200 386 D C 1.837 178.087 176.300 -0.082 0.000 0.978 386 D CA 1.118 55.118 54.000 0.000 0.000 0.833 386 D CB -0.335 40.458 40.800 -0.012 0.000 0.961 386 D HN 0.358 nan 8.370 nan 0.000 0.470 387 L N 0.688 121.791 121.223 -0.200 0.000 2.046 387 L HA -0.121 4.263 4.340 0.073 0.000 0.208 387 L C 1.800 178.478 176.870 -0.319 0.000 1.077 387 L CA 1.326 55.986 54.840 -0.299 0.000 0.747 387 L CB -0.094 41.680 42.059 -0.476 0.000 0.896 387 L HN 0.049 nan 8.230 nan 0.000 0.432 388 V N -3.171 116.511 119.914 -0.388 0.000 3.177 388 V HA 0.203 4.366 4.120 0.073 0.000 0.342 388 V C 0.903 176.923 176.094 -0.122 0.000 1.379 388 V CA -0.716 61.411 62.300 -0.287 0.000 1.191 388 V CB -1.402 30.187 31.823 -0.390 0.000 1.167 388 V HN 0.365 nan 8.190 nan 0.000 0.471 389 H N 4.177 123.156 119.070 -0.151 0.000 3.140 389 H HA 0.120 4.722 4.556 0.076 0.000 0.316 389 H C -1.824 173.460 175.328 -0.074 0.000 0.986 389 H CA 0.093 56.087 56.048 -0.091 0.000 1.397 389 H CB 1.849 31.566 29.762 -0.075 0.000 1.377 389 H HN 0.372 nan 8.280 nan 0.000 0.585 390 P HA 0.114 nan 4.420 nan 0.000 0.266 390 P C 0.154 177.281 177.300 -0.289 0.000 1.561 390 P CA -0.229 62.479 63.100 -0.653 0.000 1.089 390 P CB 0.421 31.756 31.700 -0.608 0.000 1.534 391 D N 1.354 121.654 120.400 -0.166 0.000 2.221 391 D HA -0.111 4.572 4.640 0.073 0.000 0.204 391 D C 1.612 177.858 176.300 -0.090 0.000 0.982 391 D CA 1.296 55.234 54.000 -0.103 0.000 0.857 391 D CB -0.300 40.463 40.800 -0.061 0.000 0.934 391 D HN 0.246 nan 8.370 nan 0.000 0.475 392 A N 0.237 123.016 122.820 -0.068 0.000 2.379 392 A HA 0.043 4.406 4.320 0.073 0.000 0.236 392 A C 1.841 179.374 177.584 -0.085 0.000 1.272 392 A CA 0.005 52.027 52.037 -0.026 0.000 0.886 392 A CB 0.074 19.192 19.000 0.196 0.000 0.962 392 A HN -0.052 nan 8.150 nan 0.000 0.504 393 Q N 1.051 120.779 119.800 -0.120 0.000 2.096 393 Q HA -0.188 4.196 4.340 0.073 0.000 0.204 393 Q C 1.063 177.003 176.000 -0.101 0.000 0.982 393 Q CA 2.280 58.018 55.803 -0.109 0.000 0.850 393 Q CB -0.198 28.461 28.738 -0.132 0.000 0.901 393 Q HN 0.617 nan 8.270 nan 0.000 0.422 394 D N -0.552 119.775 120.400 -0.121 0.000 2.178 394 D HA -0.107 4.577 4.640 0.073 0.000 0.202 394 D C 1.837 178.038 176.300 -0.165 0.000 0.974 394 D CA 1.008 54.940 54.000 -0.114 0.000 0.841 394 D CB -0.044 40.695 40.800 -0.102 0.000 0.953 394 D HN 0.379 nan 8.370 nan 0.000 0.478 395 I N 0.298 120.693 120.570 -0.292 0.000 2.252 395 I HA -0.218 3.996 4.170 0.073 0.000 0.245 395 I C 2.302 178.229 176.117 -0.315 0.000 1.102 395 I CA 0.413 61.443 61.300 -0.450 0.000 1.385 395 I CB -0.033 37.478 38.000 -0.814 0.000 1.064 395 I HN -0.023 nan 8.210 nan 0.000 0.414 396 L N 0.747 121.851 121.223 -0.198 0.000 2.093 396 L HA -0.210 4.174 4.340 0.073 0.000 0.208 396 L C 1.908 178.756 176.870 -0.037 0.000 1.085 396 L CA 1.922 56.699 54.840 -0.105 0.000 0.755 396 L CB -0.724 41.316 42.059 -0.033 0.000 0.904 396 L HN 0.169 nan 8.230 nan 0.000 0.435 397 D N -1.344 119.033 120.400 -0.037 0.000 2.117 397 D HA -0.153 4.531 4.640 0.073 0.000 0.197 397 D C 2.052 178.359 176.300 0.012 0.000 0.987 397 D CA 1.766 55.767 54.000 0.002 0.000 0.829 397 D CB -0.186 40.610 40.800 -0.007 0.000 0.961 397 D HN 0.318 nan 8.370 nan 0.000 0.460 398 T N 1.269 115.813 114.554 -0.016 0.000 2.777 398 T HA -0.123 4.271 4.350 0.073 0.000 0.266 398 T C 1.909 176.622 174.700 0.021 0.000 1.040 398 T CA 0.447 62.554 62.100 0.012 0.000 1.141 398 T CB -0.319 68.561 68.868 0.020 0.000 0.868 398 T HN 0.027 nan 8.240 nan 0.000 0.444 399 L N 1.603 122.804 121.223 -0.037 0.000 2.012 399 L HA -0.106 4.278 4.340 0.073 0.000 0.210 399 L C 2.238 179.167 176.870 0.098 0.000 1.073 399 L CA 1.872 56.700 54.840 -0.020 0.000 0.748 399 L CB -0.691 41.316 42.059 -0.088 0.000 0.891 399 L HN 0.273 nan 8.230 nan 0.000 0.431 400 E N -0.770 119.499 120.200 0.115 0.000 2.106 400 E HA -0.205 4.188 4.350 0.073 0.000 0.192 400 E C 1.790 178.467 176.600 0.128 0.000 0.984 400 E CA 1.145 57.620 56.400 0.126 0.000 0.806 400 E CB -0.152 29.618 29.700 0.116 0.000 0.750 400 E HN 0.555 nan 8.360 nan 0.000 0.458 401 D N 0.634 121.105 120.400 0.118 0.000 2.117 401 D HA -0.129 4.554 4.640 0.073 0.000 0.197 401 D C 1.613 178.040 176.300 0.212 0.000 0.987 401 D CA 0.871 54.953 54.000 0.135 0.000 0.829 401 D CB -0.294 40.565 40.800 0.098 0.000 0.961 401 D HN 0.086 nan 8.370 nan 0.000 0.460 402 N N 0.449 119.295 118.700 0.243 0.000 2.216 402 N HA -0.103 4.681 4.740 0.073 0.000 0.183 402 N C 1.747 177.572 175.510 0.526 0.000 1.017 402 N CA 0.341 53.635 53.050 0.406 0.000 0.861 402 N CB -0.160 38.614 38.487 0.478 0.000 0.986 402 N HN 0.142 nan 8.380 nan 0.000 0.428 403 R N 1.623 122.346 120.500 0.370 0.000 2.081 403 R HA -0.093 4.291 4.340 0.073 0.000 0.235 403 R C 1.797 178.263 176.300 0.277 0.000 1.131 403 R CA 1.232 57.524 56.100 0.321 0.000 0.960 403 R CB -0.245 30.165 30.300 0.183 0.000 0.856 403 R HN 0.382 nan 8.270 nan 0.000 0.436 404 E N -0.899 119.435 120.200 0.223 0.000 2.077 404 E HA -0.227 4.166 4.350 0.073 0.000 0.193 404 E C 1.787 178.502 176.600 0.192 0.000 0.989 404 E CA 1.479 57.980 56.400 0.169 0.000 0.800 404 E CB -0.365 29.420 29.700 0.141 0.000 0.746 404 E HN 0.457 nan 8.360 nan 0.000 0.452 405 W N -0.017 121.334 121.300 0.085 0.000 2.379 405 W HA -0.200 4.516 4.660 0.092 0.000 0.307 405 W C 1.753 178.277 176.519 0.007 0.000 1.200 405 W CA 1.586 58.941 57.345 0.017 0.000 1.297 405 W CB -0.526 28.915 29.460 -0.032 0.000 1.140 405 W HN 0.111 nan 8.180 nan 0.000 0.507 406 Y N 0.790 121.231 120.300 0.235 0.000 2.207 406 Y HA -0.310 4.280 4.550 0.067 0.000 0.287 406 Y C 2.692 178.516 175.900 -0.127 0.000 1.156 406 Y CA 2.400 60.500 58.100 -0.001 0.000 1.182 406 Y CB -1.095 37.486 38.460 0.201 0.000 0.979 406 Y HN 0.069 nan 8.280 nan 0.000 0.521 407 Q N 0.287 120.156 119.800 0.116 0.000 2.124 407 Q HA -0.166 4.218 4.340 0.073 0.000 0.202 407 Q C 2.347 178.310 176.000 -0.062 0.000 0.977 407 Q CA 2.050 57.878 55.803 0.041 0.000 0.850 407 Q CB -0.512 28.262 28.738 0.060 0.000 0.901 407 Q HN 0.425 nan 8.270 nan 0.000 0.429 408 S N -1.293 114.319 115.700 -0.147 0.000 2.447 408 S HA -0.126 4.388 4.470 0.073 0.000 0.233 408 S C 1.820 176.246 174.600 -0.290 0.000 1.006 408 S CA 1.324 59.402 58.200 -0.204 0.000 0.957 408 S CB -0.888 62.181 63.200 -0.219 0.000 0.773 408 S HN 0.584 nan 8.310 nan 0.000 0.507 409 T N -0.438 113.867 114.554 -0.415 0.000 3.118 409 T HA 0.320 4.713 4.350 0.073 0.000 0.260 409 T C 0.578 175.176 174.700 -0.171 0.000 1.139 409 T CA -0.142 61.733 62.100 -0.376 0.000 1.085 409 T CB -0.735 67.802 68.868 -0.551 0.000 0.934 409 T HN 0.458 nan 8.240 nan 0.000 0.518 410 I N 3.519 124.025 120.570 -0.107 0.000 2.312 410 I HA 0.327 4.540 4.170 0.073 0.000 0.291 410 I C -1.752 174.339 176.117 -0.043 0.000 1.031 410 I CA -2.432 58.841 61.300 -0.044 0.000 1.293 410 I CB 0.795 38.792 38.000 -0.005 0.000 1.403 410 I HN 0.093 nan 8.210 nan 0.000 0.484 411 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 31.688 31.700 -0.021 0.000 0.726