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 3dmy_1_B DATA FIRST_RESID 101 DATA SEQUENCE ALTQVRRWDS ACQKLPDANL ALISVAGEYA AELANQALDR NLNVXXFSDN DATA SEQUENCE VTLEDEIQLK TRAREKGLLV XGPDCGTSXI AGTPLAFANV XPEGNIGVIG DATA SEQUENCE ASGTGIQELC SQIALAGEGI THAIGLGGRD LSREVGGISA LTALEXLSAD DATA SEQUENCE EKSEVLAFVS KPPAEAVRLK IVNAXKATGK PTVALFLGYT PAVARDENVW DATA SEQUENCE FASSLDEAAR LACLLSRVTA RRNAIAPVSS GFICGLYTGG TLAAEAAGLL DATA SEQUENCE AGHLGVEAXX XHQHGXXLDA DSHQIIDLGD DFYTVGRPHP XIDPTLRNQL DATA SEQUENCE IADLGAKPQV RVLLLDVVIG FGATADPAAS LVSAWQKACA ARLDNQPLYA DATA SEQUENCE IATVTGTERD PQCRSQQIAT LEDAGIAVVS SLPEATLLAA ALIHPLXXXX DATA SEQUENCE XXHTPSLLEN VAVINIGLRS FALELQSASK PVVHYQWSPV AGGNKKLARL DATA SEQUENCE LERLQ 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 101 A HA 0.000 nan 4.320 nan 0.000 0.244 101 A C 0.000 177.588 177.584 0.006 0.000 1.274 101 A CA 0.000 52.038 52.037 0.002 0.000 0.836 101 A CB 0.000 19.001 19.000 0.001 0.000 0.831 102 L N 1.473 122.699 121.223 0.005 0.000 2.534 102 L HA 0.400 4.740 4.340 0.000 0.000 0.271 102 L C 0.528 177.414 176.870 0.027 0.000 1.178 102 L CA 0.994 55.843 54.840 0.013 0.000 0.907 102 L CB 0.142 42.200 42.059 -0.001 0.000 1.164 102 L HN 0.664 nan 8.230 nan 0.000 0.482 103 T N 5.713 120.288 114.554 0.034 0.000 2.799 103 T HA 0.233 4.583 4.350 0.000 0.000 0.296 103 T C -0.058 174.677 174.700 0.057 0.000 0.947 103 T CA -0.067 62.053 62.100 0.033 0.000 1.141 103 T CB 0.138 69.020 68.868 0.025 0.000 0.891 103 T HN 0.633 nan 8.240 nan 0.000 0.533 104 Q N 1.868 121.697 119.800 0.049 0.000 2.309 104 Q HA 0.752 5.092 4.340 0.000 0.000 0.264 104 Q C -0.911 175.091 176.000 0.002 0.000 1.008 104 Q CA -0.784 55.062 55.803 0.071 0.000 0.853 104 Q CB 2.367 31.166 28.738 0.102 0.000 1.314 104 Q HN 0.398 nan 8.270 nan 0.000 0.448 105 V N 1.537 121.426 119.914 -0.042 0.000 3.130 105 V HA 0.434 4.554 4.120 0.000 0.000 0.310 105 V C -0.128 175.858 176.094 -0.179 0.000 1.158 105 V CA -0.611 61.607 62.300 -0.136 0.000 1.029 105 V CB 2.412 34.107 31.823 -0.213 0.000 1.057 105 V HN 0.782 nan 8.190 nan 0.000 0.436 106 R N 0.696 121.050 120.500 -0.243 0.000 2.509 106 R HA 0.405 4.745 4.340 0.000 0.000 0.297 106 R C -0.162 175.930 176.300 -0.347 0.000 0.951 106 R CA -0.103 55.892 56.100 -0.175 0.000 1.103 106 R CB 0.910 31.174 30.300 -0.059 0.000 1.283 106 R HN 0.569 nan 8.270 nan 0.000 0.534 107 R N -1.598 118.499 120.500 -0.671 0.000 2.739 107 R HA 0.155 4.495 4.340 0.000 0.000 0.271 107 R C -0.246 175.642 176.300 -0.686 0.000 1.010 107 R CA -0.756 55.010 56.100 -0.557 0.000 0.897 107 R CB 0.571 30.782 30.300 -0.149 0.000 1.236 107 R HN -0.034 nan 8.270 nan 0.000 0.466 108 W N 1.136 122.256 121.300 -0.301 0.000 2.342 108 W HA -0.179 4.481 4.660 0.000 0.000 0.297 108 W C 1.190 177.639 176.519 -0.115 0.000 1.213 108 W CA 1.478 58.748 57.345 -0.125 0.000 1.251 108 W CB -0.091 29.401 29.460 0.053 0.000 1.136 108 W HN 0.737 nan 8.180 nan 0.000 0.526 109 D N -0.141 120.334 120.400 0.126 0.000 2.205 109 D HA -0.251 4.389 4.640 0.000 0.000 0.190 109 D C 2.204 178.511 176.300 0.011 0.000 1.002 109 D CA 2.637 56.673 54.000 0.060 0.000 0.848 109 D CB -0.933 39.879 40.800 0.020 0.000 0.975 109 D HN -0.056 nan 8.370 nan 0.000 0.449 110 S N 0.314 115.979 115.700 -0.059 0.000 2.359 110 S HA -0.221 4.249 4.470 0.000 0.000 0.224 110 S C 2.093 176.651 174.600 -0.070 0.000 1.035 110 S CA 1.345 59.499 58.200 -0.076 0.000 1.018 110 S CB -0.702 62.424 63.200 -0.124 0.000 0.876 110 S HN 0.420 nan 8.310 nan 0.000 0.448 111 A N 1.157 123.900 122.820 -0.128 0.000 1.869 111 A HA -0.236 4.084 4.320 0.000 0.000 0.218 111 A C 2.489 180.092 177.584 0.031 0.000 1.203 111 A CA 1.992 53.984 52.037 -0.075 0.000 0.638 111 A CB -1.535 17.386 19.000 -0.132 0.000 0.831 111 A HN 0.637 nan 8.150 nan 0.000 0.450 112 C N -0.884 118.473 119.300 0.095 0.000 2.422 112 C HA -0.084 4.376 4.460 0.000 0.000 0.279 112 C C 2.828 177.850 174.990 0.054 0.000 1.305 112 C CA 1.168 60.246 59.018 0.100 0.000 1.757 112 C CB -1.099 26.717 27.740 0.128 0.000 1.962 112 C HN 0.727 nan 8.230 nan 0.000 0.499 113 Q N 1.228 121.049 119.800 0.035 0.000 2.119 113 Q HA -0.141 4.199 4.340 0.000 0.000 0.201 113 Q C 2.043 178.052 176.000 0.016 0.000 0.972 113 Q CA 1.519 57.335 55.803 0.021 0.000 0.847 113 Q CB -0.210 28.535 28.738 0.011 0.000 0.903 113 Q HN 0.523 nan 8.270 nan 0.000 0.433 114 K N 0.009 120.415 120.400 0.010 0.000 2.228 114 K HA -0.015 4.305 4.320 0.000 0.000 0.202 114 K C 0.564 177.175 176.600 0.019 0.000 1.051 114 K CA 0.252 56.544 56.287 0.009 0.000 0.960 114 K CB 0.130 32.629 32.500 -0.002 0.000 0.743 114 K HN 0.106 nan 8.250 nan 0.000 0.458 115 L N 2.682 123.923 121.223 0.029 0.000 2.581 115 L HA 0.220 4.560 4.340 0.000 0.000 0.241 115 L C -2.012 174.884 176.870 0.043 0.000 1.265 115 L CA -1.690 53.172 54.840 0.037 0.000 0.954 115 L CB 1.343 43.431 42.059 0.047 0.000 1.269 115 L HN -0.150 nan 8.230 nan 0.000 0.475 116 P HA -0.165 nan 4.420 nan 0.000 0.220 116 P C 0.081 177.401 177.300 0.033 0.000 1.144 116 P CA 1.211 64.330 63.100 0.032 0.000 0.800 116 P CB 0.184 31.898 31.700 0.024 0.000 0.772 117 D N -0.967 119.453 120.400 0.033 0.000 2.368 117 D HA 0.213 4.853 4.640 0.000 0.000 0.218 117 D C 0.530 176.852 176.300 0.038 0.000 1.112 117 D CA -0.637 53.382 54.000 0.031 0.000 0.834 117 D CB -0.789 40.026 40.800 0.026 0.000 0.953 117 D HN 0.034 nan 8.370 nan 0.000 0.505 118 A N 0.630 123.481 122.820 0.051 0.000 2.598 118 A HA -0.001 4.319 4.320 0.000 0.000 0.239 118 A C 0.815 178.432 177.584 0.055 0.000 1.032 118 A CA 0.203 52.279 52.037 0.066 0.000 0.760 118 A CB 0.035 19.096 19.000 0.103 0.000 0.946 118 A HN 0.170 nan 8.150 nan 0.000 0.512 119 N N -0.387 118.343 118.700 0.050 0.000 2.382 119 N HA 0.296 5.036 4.740 0.000 0.000 0.200 119 N C -0.559 174.972 175.510 0.036 0.000 1.122 119 N CA 0.233 53.302 53.050 0.032 0.000 0.870 119 N CB 0.389 38.887 38.487 0.017 0.000 1.176 119 N HN 0.630 nan 8.380 nan 0.000 0.474 120 L N -0.218 121.038 121.223 0.055 0.000 2.466 120 L HA 0.806 5.146 4.340 0.000 0.000 0.258 120 L C -1.785 175.143 176.870 0.096 0.000 0.973 120 L CA -0.993 53.883 54.840 0.059 0.000 0.826 120 L CB 1.843 43.920 42.059 0.031 0.000 1.372 120 L HN -0.072 nan 8.230 nan 0.000 0.409 121 A N 3.925 126.813 122.820 0.113 0.000 2.273 121 A HA 0.659 4.979 4.320 0.000 0.000 0.315 121 A C -1.359 176.276 177.584 0.086 0.000 1.256 121 A CA -0.411 51.715 52.037 0.149 0.000 0.851 121 A CB 0.696 19.857 19.000 0.268 0.000 1.172 121 A HN 0.727 nan 8.150 nan 0.000 0.508 122 L N 4.666 125.928 121.223 0.066 0.000 2.255 122 L HA 0.572 4.912 4.340 0.000 0.000 0.289 122 L C -0.743 176.165 176.870 0.063 0.000 1.046 122 L CA -0.095 54.780 54.840 0.059 0.000 0.816 122 L CB 0.116 42.205 42.059 0.050 0.000 1.197 122 L HN 0.565 nan 8.230 nan 0.000 0.427 123 I N 4.540 125.148 120.570 0.063 0.000 2.354 123 I HA 0.338 4.508 4.170 0.000 0.000 0.292 123 I C 0.351 176.531 176.117 0.105 0.000 0.989 123 I CA -0.182 61.130 61.300 0.020 0.000 1.188 123 I CB 1.607 39.589 38.000 -0.029 0.000 1.342 123 I HN 0.766 nan 8.210 nan 0.000 0.457 124 S N 4.089 119.832 115.700 0.072 0.000 2.952 124 S HA 0.196 4.666 4.470 0.000 0.000 0.251 124 S C 0.153 174.788 174.600 0.057 0.000 1.021 124 S CA -0.583 57.712 58.200 0.158 0.000 1.067 124 S CB -0.473 62.773 63.200 0.078 0.000 1.002 124 S HN 0.432 nan 8.310 nan 0.000 0.574 125 V N -0.250 119.637 119.914 -0.044 0.000 3.546 125 V HA 0.813 4.933 4.120 0.000 0.000 0.296 125 V C 0.837 176.965 176.094 0.056 0.000 1.082 125 V CA -0.623 61.647 62.300 -0.050 0.000 1.086 125 V CB -0.369 31.220 31.823 -0.390 0.000 1.174 125 V HN 0.550 nan 8.190 nan 0.000 0.464 126 A N 1.362 124.277 122.820 0.159 0.000 2.546 126 A HA 0.458 4.778 4.320 0.000 0.000 0.243 126 A C 1.655 179.345 177.584 0.176 0.000 1.063 126 A CA 0.370 52.527 52.037 0.199 0.000 0.757 126 A CB -0.295 18.889 19.000 0.306 0.000 0.991 126 A HN 1.855 nan 8.150 nan 0.000 0.503 127 G N 1.654 110.515 108.800 0.101 0.000 2.545 127 G HA2 -0.285 3.675 3.960 0.000 0.000 0.222 127 G HA3 -0.285 3.675 3.960 0.000 0.000 0.222 127 G C 0.989 175.906 174.900 0.028 0.000 1.126 127 G CA 1.470 46.599 45.100 0.049 0.000 0.754 127 G HN 0.845 nan 8.290 nan 0.000 0.583 128 E N -0.703 119.508 120.200 0.019 0.000 2.401 128 E HA -0.040 4.311 4.350 0.000 0.000 0.199 128 E C 1.392 177.834 176.600 -0.263 0.000 1.023 128 E CA 0.729 57.047 56.400 -0.137 0.000 0.859 128 E CB -0.165 29.408 29.700 -0.212 0.000 0.780 128 E HN 0.744 nan 8.360 nan 0.000 0.523 129 Y N -1.572 118.746 120.300 0.029 0.000 2.445 129 Y HA 0.392 4.942 4.550 0.000 0.000 0.247 129 Y C 1.918 177.745 175.900 -0.121 0.000 1.129 129 Y CA 0.115 58.214 58.100 -0.003 0.000 1.251 129 Y CB 0.192 38.695 38.460 0.071 0.000 1.176 129 Y HN 0.038 nan 8.280 nan 0.000 0.522 130 A N 0.708 123.540 122.820 0.020 0.000 1.883 130 A HA -0.178 4.143 4.320 0.000 0.000 0.217 130 A C 2.399 179.966 177.584 -0.028 0.000 1.186 130 A CA 2.083 54.097 52.037 -0.039 0.000 0.624 130 A CB -1.034 17.955 19.000 -0.018 0.000 0.822 130 A HN 0.372 nan 8.150 nan 0.000 0.444 131 A N -0.608 122.204 122.820 -0.014 0.000 1.933 131 A HA -0.174 4.147 4.320 0.000 0.000 0.218 131 A C 2.024 179.609 177.584 0.002 0.000 1.175 131 A CA 1.807 53.838 52.037 -0.010 0.000 0.628 131 A CB -0.521 18.470 19.000 -0.014 0.000 0.814 131 A HN 0.684 nan 8.150 nan 0.000 0.444 132 E N -0.487 119.724 120.200 0.018 0.000 2.077 132 E HA -0.163 4.187 4.350 0.000 0.000 0.193 132 E C 1.763 178.396 176.600 0.055 0.000 0.989 132 E CA 1.007 57.438 56.400 0.050 0.000 0.800 132 E CB -0.092 29.674 29.700 0.109 0.000 0.746 132 E HN 0.405 nan 8.360 nan 0.000 0.452 133 L N 0.510 121.741 121.223 0.013 0.000 2.093 133 L HA -0.074 4.266 4.340 0.000 0.000 0.208 133 L C 2.509 179.434 176.870 0.091 0.000 1.085 133 L CA 1.596 56.459 54.840 0.039 0.000 0.755 133 L CB -1.570 40.380 42.059 -0.181 0.000 0.904 133 L HN 0.204 nan 8.230 nan 0.000 0.435 134 A N 0.019 122.856 122.820 0.029 0.000 1.902 134 A HA -0.206 4.114 4.320 0.000 0.000 0.217 134 A C 2.104 179.687 177.584 -0.002 0.000 1.181 134 A CA 1.645 53.697 52.037 0.023 0.000 0.623 134 A CB -0.475 18.528 19.000 0.005 0.000 0.818 134 A HN 0.449 nan 8.150 nan 0.000 0.443 135 N N -0.321 118.373 118.700 -0.009 0.000 2.244 135 N HA -0.132 4.608 4.740 0.000 0.000 0.183 135 N C 1.875 177.333 175.510 -0.087 0.000 1.016 135 N CA 1.323 54.351 53.050 -0.036 0.000 0.866 135 N CB -0.301 38.174 38.487 -0.020 0.000 0.980 135 N HN 0.664 nan 8.380 nan 0.000 0.430 136 Q N 0.416 120.167 119.800 -0.082 0.000 2.167 136 Q HA 0.026 4.366 4.340 0.000 0.000 0.202 136 Q C 2.039 177.719 176.000 -0.535 0.000 0.970 136 Q CA 1.255 56.906 55.803 -0.253 0.000 0.855 136 Q CB -0.042 28.638 28.738 -0.096 0.000 0.911 136 Q HN 0.348 nan 8.270 nan 0.000 0.438 137 A N 0.764 123.388 122.820 -0.326 0.000 1.930 137 A HA -0.112 4.208 4.320 0.000 0.000 0.217 137 A C 2.008 179.457 177.584 -0.226 0.000 1.175 137 A CA 0.906 52.747 52.037 -0.327 0.000 0.627 137 A CB -0.496 18.520 19.000 0.027 0.000 0.815 137 A HN 0.274 nan 8.150 nan 0.000 0.443 138 L N -0.414 120.722 121.223 -0.145 0.000 2.141 138 L HA -0.140 4.200 4.340 0.000 0.000 0.209 138 L C 1.622 178.415 176.870 -0.129 0.000 1.094 138 L CA 0.974 55.752 54.840 -0.104 0.000 0.763 138 L CB -0.552 41.468 42.059 -0.065 0.000 0.908 138 L HN 0.288 nan 8.230 nan 0.000 0.437 139 D N 0.458 120.752 120.400 -0.176 0.000 2.263 139 D HA -0.131 4.509 4.640 0.000 0.000 0.208 139 D C 1.656 177.847 176.300 -0.181 0.000 0.971 139 D CA 1.090 54.990 54.000 -0.167 0.000 0.867 139 D CB -0.002 40.682 40.800 -0.193 0.000 0.929 139 D HN 0.312 nan 8.370 nan 0.000 0.492 140 R N 0.475 120.832 120.500 -0.238 0.000 2.552 140 R HA 0.135 4.475 4.340 0.000 0.000 0.314 140 R C -0.112 176.120 176.300 -0.114 0.000 1.041 140 R CA -0.266 55.718 56.100 -0.193 0.000 1.076 140 R CB 0.170 30.298 30.300 -0.287 0.000 1.290 140 R HN -0.044 nan 8.270 nan 0.000 0.563 141 N N 1.124 119.767 118.700 -0.095 0.000 2.727 141 N HA -0.201 4.539 4.740 0.000 0.000 0.249 141 N C -0.835 174.651 175.510 -0.039 0.000 1.048 141 N CA 1.004 54.021 53.050 -0.056 0.000 0.714 141 N CB -1.060 37.404 38.487 -0.038 0.000 0.959 141 N HN 0.319 nan 8.380 nan 0.000 0.544 142 L N 0.284 121.480 121.223 -0.046 0.000 2.331 142 L HA 0.352 4.693 4.340 0.000 0.000 0.275 142 L C 0.969 177.838 176.870 -0.001 0.000 1.022 142 L CA -0.736 54.099 54.840 -0.007 0.000 0.812 142 L CB 1.075 43.148 42.059 0.023 0.000 1.257 142 L HN 0.009 nan 8.230 nan 0.000 0.435 143 N N 0.733 119.439 118.700 0.009 0.000 2.444 143 N HA 0.388 5.128 4.740 0.000 0.000 0.255 143 N C -0.524 174.999 175.510 0.022 0.000 1.255 143 N CA -0.136 52.917 53.050 0.005 0.000 0.933 143 N CB 2.026 40.511 38.487 -0.004 0.000 1.143 143 N HN 0.180 nan 8.380 nan 0.000 0.453 148 S N 2.442 118.230 115.700 0.148 0.000 2.599 148 S HA 0.102 4.572 4.470 0.000 0.000 0.303 148 S C -0.041 174.510 174.600 -0.081 0.000 1.267 148 S CA 0.645 58.871 58.200 0.045 0.000 1.055 148 S CB 0.004 63.244 63.200 0.067 0.000 0.790 148 S HN 0.503 nan 8.310 nan 0.000 0.500 149 D N 2.084 122.429 120.400 -0.092 0.000 2.539 149 D HA 0.351 4.991 4.640 0.000 0.000 0.276 149 D C -0.021 176.258 176.300 -0.035 0.000 1.206 149 D CA -0.035 53.911 54.000 -0.090 0.000 1.081 149 D CB 0.331 41.069 40.800 -0.102 0.000 1.142 149 D HN 0.685 nan 8.370 nan 0.000 0.595 150 N N -0.914 117.769 118.700 -0.030 0.000 2.738 150 N HA -0.132 4.608 4.740 0.000 0.000 0.249 150 N C -1.380 174.120 175.510 -0.017 0.000 1.047 150 N CA 0.372 53.413 53.050 -0.015 0.000 0.707 150 N CB -1.292 37.196 38.487 0.002 0.000 0.937 150 N HN 0.120 nan 8.380 nan 0.000 0.545 151 V N 0.575 120.475 119.914 -0.024 0.000 2.540 151 V HA 0.420 4.540 4.120 0.000 0.000 0.302 151 V C 0.925 177.005 176.094 -0.023 0.000 1.035 151 V CA -0.697 61.589 62.300 -0.024 0.000 0.873 151 V CB 2.096 33.905 31.823 -0.023 0.000 0.992 151 V HN 0.394 nan 8.190 nan 0.000 0.428 152 T N 2.229 116.769 114.554 -0.022 0.000 2.898 152 T HA 0.328 4.678 4.350 0.000 0.000 0.301 152 T C 1.288 175.978 174.700 -0.017 0.000 1.049 152 T CA -0.324 61.764 62.100 -0.019 0.000 1.095 152 T CB 0.719 69.575 68.868 -0.020 0.000 0.976 152 T HN 0.403 nan 8.240 nan 0.000 0.539 153 L N 0.754 121.968 121.223 -0.014 0.000 2.042 153 L HA -0.146 4.194 4.340 0.000 0.000 0.210 153 L C 2.863 179.726 176.870 -0.011 0.000 1.076 153 L CA 1.675 56.508 54.840 -0.012 0.000 0.749 153 L CB -0.548 41.504 42.059 -0.010 0.000 0.893 153 L HN 0.742 nan 8.230 nan 0.000 0.432 154 E N 0.049 120.242 120.200 -0.012 0.000 2.049 154 E HA -0.243 4.107 4.350 0.000 0.000 0.198 154 E C 1.858 178.451 176.600 -0.012 0.000 1.007 154 E CA 1.553 57.946 56.400 -0.012 0.000 0.809 154 E CB -0.347 29.345 29.700 -0.012 0.000 0.749 154 E HN 0.414 nan 8.360 nan 0.000 0.450 155 D N -0.002 120.389 120.400 -0.014 0.000 2.178 155 D HA -0.147 4.493 4.640 0.000 0.000 0.202 155 D C 1.864 178.157 176.300 -0.012 0.000 0.974 155 D CA 0.842 54.834 54.000 -0.014 0.000 0.841 155 D CB -0.142 40.648 40.800 -0.018 0.000 0.953 155 D HN 0.319 nan 8.370 nan 0.000 0.478 156 E N 0.552 120.745 120.200 -0.012 0.000 2.051 156 E HA -0.155 4.195 4.350 0.000 0.000 0.192 156 E C 2.291 178.886 176.600 -0.007 0.000 0.991 156 E CA 0.734 57.128 56.400 -0.010 0.000 0.799 156 E CB -0.052 29.641 29.700 -0.011 0.000 0.748 156 E HN 0.222 nan 8.360 nan 0.000 0.449 157 I N 1.126 121.692 120.570 -0.007 0.000 2.226 157 I HA -0.282 3.889 4.170 0.000 0.000 0.245 157 I C 2.907 179.021 176.117 -0.006 0.000 1.100 157 I CA 1.035 62.331 61.300 -0.005 0.000 1.374 157 I CB -0.459 37.538 38.000 -0.006 0.000 1.057 157 I HN 0.291 nan 8.210 nan 0.000 0.413 158 Q N 1.612 121.407 119.800 -0.008 0.000 2.020 158 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 158 Q C 2.334 178.329 176.000 -0.009 0.000 0.982 158 Q CA 1.884 57.682 55.803 -0.008 0.000 0.838 158 Q CB -0.346 28.386 28.738 -0.009 0.000 0.899 158 Q HN 0.517 nan 8.270 nan 0.000 0.423 159 L N 0.548 121.766 121.223 -0.009 0.000 2.012 159 L HA -0.218 4.122 4.340 0.000 0.000 0.210 159 L C 2.731 179.596 176.870 -0.008 0.000 1.073 159 L CA 1.681 56.515 54.840 -0.010 0.000 0.748 159 L CB -0.357 41.697 42.059 -0.009 0.000 0.891 159 L HN 0.163 nan 8.230 nan 0.000 0.431 160 K N -0.624 119.773 120.400 -0.005 0.000 2.097 160 K HA -0.135 4.185 4.320 0.000 0.000 0.205 160 K C 2.156 178.755 176.600 -0.002 0.000 1.050 160 K CA 1.814 58.100 56.287 -0.002 0.000 0.938 160 K CB -0.297 32.204 32.500 0.002 0.000 0.718 160 K HN 0.489 nan 8.250 nan 0.000 0.442 161 T N -0.611 113.941 114.554 -0.003 0.000 2.821 161 T HA -0.154 4.196 4.350 0.000 0.000 0.267 161 T C 2.012 176.709 174.700 -0.006 0.000 1.046 161 T CA 0.872 62.970 62.100 -0.003 0.000 1.139 161 T CB -0.108 68.758 68.868 -0.004 0.000 0.871 161 T HN 0.162 nan 8.240 nan 0.000 0.454 162 R N 1.196 121.691 120.500 -0.009 0.000 2.081 162 R HA 0.066 4.406 4.340 0.000 0.000 0.235 162 R C 2.745 179.038 176.300 -0.012 0.000 1.131 162 R CA 1.339 57.432 56.100 -0.012 0.000 0.960 162 R CB -0.813 29.478 30.300 -0.016 0.000 0.856 162 R HN 0.491 nan 8.270 nan 0.000 0.436 163 A N 1.295 124.108 122.820 -0.011 0.000 1.883 163 A HA -0.219 4.101 4.320 0.000 0.000 0.217 163 A C 2.222 179.801 177.584 -0.008 0.000 1.186 163 A CA 1.602 53.632 52.037 -0.011 0.000 0.624 163 A CB -0.684 18.311 19.000 -0.009 0.000 0.822 163 A HN 0.433 nan 8.150 nan 0.000 0.444 164 R N -0.135 120.362 120.500 -0.004 0.000 2.091 164 R HA -0.207 4.133 4.340 0.000 0.000 0.238 164 R C 2.040 178.339 176.300 -0.002 0.000 1.136 164 R CA 1.989 58.088 56.100 -0.001 0.000 0.959 164 R CB -0.328 29.973 30.300 0.002 0.000 0.856 164 R HN 0.702 nan 8.270 nan 0.000 0.437 165 E N 0.100 120.297 120.200 -0.004 0.000 2.118 165 E HA -0.185 4.165 4.350 0.000 0.000 0.195 165 E C 1.626 178.223 176.600 -0.006 0.000 0.992 165 E CA 1.386 57.783 56.400 -0.005 0.000 0.804 165 E CB 0.084 29.780 29.700 -0.007 0.000 0.741 165 E HN 0.318 nan 8.360 nan 0.000 0.458 166 K N -0.536 119.859 120.400 -0.009 0.000 2.487 166 K HA 0.053 4.373 4.320 0.000 0.000 0.192 166 K C 0.795 177.390 176.600 -0.007 0.000 1.027 166 K CA 0.430 56.710 56.287 -0.011 0.000 1.054 166 K CB 0.514 33.003 32.500 -0.017 0.000 0.824 166 K HN 0.242 nan 8.250 nan 0.000 0.510 167 G N 1.580 110.378 108.800 -0.004 0.000 2.160 167 G HA2 -0.268 3.692 3.960 0.000 0.000 0.251 167 G HA3 -0.268 3.692 3.960 0.000 0.000 0.251 167 G C -0.025 174.871 174.900 -0.007 0.000 1.008 167 G CA 0.206 45.304 45.100 -0.002 0.000 0.724 167 G HN 0.170 nan 8.290 nan 0.000 0.514 168 L N -1.519 119.698 121.223 -0.010 0.000 2.299 168 L HA 0.923 5.263 4.340 0.000 0.000 0.268 168 L C 0.049 176.912 176.870 -0.012 0.000 1.012 168 L CA -1.484 53.348 54.840 -0.013 0.000 0.816 168 L CB 1.629 43.679 42.059 -0.015 0.000 1.355 168 L HN 0.138 nan 8.230 nan 0.000 0.457 169 L N 0.231 121.446 121.223 -0.014 0.000 2.386 169 L HA 0.730 5.070 4.340 0.000 0.000 0.271 169 L C -0.897 175.969 176.870 -0.008 0.000 0.993 169 L CA -0.220 54.613 54.840 -0.011 0.000 0.819 169 L CB 1.917 43.965 42.059 -0.019 0.000 1.294 169 L HN 0.247 nan 8.230 nan 0.000 0.414 173 P HA 0.201 nan 4.420 nan 0.000 0.269 173 P C -0.073 177.183 177.300 -0.074 0.000 1.215 173 P CA 0.576 63.650 63.100 -0.043 0.000 0.780 173 P CB 0.824 32.502 31.700 -0.037 0.000 0.898 174 D N -0.578 119.745 120.400 -0.129 0.000 2.746 174 D HA -0.165 4.476 4.640 0.000 0.000 0.236 174 D C -0.925 175.274 176.300 -0.168 0.000 1.129 174 D CA 0.363 54.244 54.000 -0.199 0.000 0.691 174 D CB -1.323 39.397 40.800 -0.135 0.000 1.077 174 D HN 0.430 nan 8.370 nan 0.000 0.432 175 C N 0.437 119.655 119.300 -0.137 0.000 2.203 175 C HA 0.743 5.204 4.460 0.000 0.000 0.325 175 C C 1.916 176.886 174.990 -0.033 0.000 1.156 175 C CA 0.201 59.181 59.018 -0.064 0.000 1.597 175 C CB -0.127 27.599 27.740 -0.023 0.000 2.148 175 C HN 0.460 nan 8.230 nan 0.000 0.472 176 G N 3.910 112.698 108.800 -0.021 0.000 2.777 176 G HA2 0.251 4.211 3.960 0.000 0.000 0.211 176 G HA3 0.251 4.211 3.960 0.000 0.000 0.211 176 G C 0.476 175.451 174.900 0.124 0.000 1.149 176 G CA 0.494 45.661 45.100 0.112 0.000 0.785 176 G HN 0.666 nan 8.290 nan 0.000 0.536 177 T N -0.274 114.322 114.554 0.070 0.000 2.952 177 T HA 0.678 5.028 4.350 0.000 0.000 0.305 177 T C -0.879 173.820 174.700 -0.001 0.000 1.064 177 T CA -0.348 61.778 62.100 0.044 0.000 1.008 177 T CB 2.349 71.266 68.868 0.083 0.000 1.078 177 T HN 0.045 nan 8.240 nan 0.000 0.459 181 A N 4.138 127.200 122.820 0.404 0.000 2.687 181 A HA 0.051 4.371 4.320 0.000 0.000 0.299 181 A C 1.498 179.129 177.584 0.078 0.000 1.497 181 A CA 1.657 53.824 52.037 0.217 0.000 0.751 181 A CB -1.802 17.290 19.000 0.155 0.000 1.048 181 A HN 2.491 nan 8.150 nan 0.000 0.464 182 G N -2.596 106.229 108.800 0.041 0.000 2.162 182 G HA2 -0.099 3.861 3.960 0.000 0.000 0.260 182 G HA3 -0.099 3.861 3.960 0.000 0.000 0.260 182 G C 0.321 175.228 174.900 0.013 0.000 0.976 182 G CA 0.963 46.068 45.100 0.009 0.000 0.655 182 G HN 1.913 nan 8.290 nan 0.000 0.533 183 T N 3.686 118.254 114.554 0.024 0.000 2.738 183 T HA 0.536 4.886 4.350 0.000 0.000 0.298 183 T C -2.130 172.566 174.700 -0.007 0.000 0.962 183 T CA -0.783 61.322 62.100 0.009 0.000 0.972 183 T CB 2.373 71.247 68.868 0.011 0.000 0.928 183 T HN 0.221 nan 8.240 nan 0.000 0.474 184 P HA 0.303 nan 4.420 nan 0.000 0.282 184 P C -1.015 176.234 177.300 -0.085 0.000 1.274 184 P CA -0.392 62.685 63.100 -0.039 0.000 0.770 184 P CB 0.682 32.365 31.700 -0.027 0.000 0.867 185 L N 3.659 124.811 121.223 -0.118 0.000 2.319 185 L HA 0.576 4.916 4.340 0.000 0.000 0.281 185 L C 1.053 177.697 176.870 -0.376 0.000 1.005 185 L CA -0.413 54.296 54.840 -0.218 0.000 0.828 185 L CB 1.160 43.134 42.059 -0.142 0.000 1.227 185 L HN 0.607 nan 8.230 nan 0.000 0.415 186 A N 3.619 125.963 122.820 -0.793 0.000 5.369 186 A HA -0.295 4.025 4.320 0.000 0.000 0.298 186 A C 0.074 177.371 177.584 -0.477 0.000 2.000 186 A CA 0.871 52.100 52.037 -1.347 0.000 0.716 186 A CB -1.481 16.842 19.000 -1.130 0.000 1.248 186 A HN 0.587 nan 8.150 nan 0.000 0.365 187 F N 1.540 121.367 119.950 -0.205 0.000 2.600 187 F HA 0.463 4.990 4.527 0.000 0.000 0.345 187 F C 1.000 176.770 175.800 -0.050 0.000 1.271 187 F CA 0.298 58.272 58.000 -0.044 0.000 1.138 187 F CB -0.082 38.962 39.000 0.074 0.000 1.449 187 F HN 0.881 nan 8.300 nan 0.000 0.645 188 A N 3.655 126.542 122.820 0.110 0.000 2.437 188 A HA 0.677 4.997 4.320 0.000 0.000 0.292 188 A C -0.781 176.823 177.584 0.034 0.000 1.173 188 A CA -0.924 51.140 52.037 0.045 0.000 0.785 188 A CB 1.537 20.532 19.000 -0.008 0.000 1.351 188 A HN 0.548 nan 8.150 nan 0.000 0.431 189 N N -0.727 117.981 118.700 0.015 0.000 2.292 189 N HA 0.519 5.259 4.740 0.000 0.000 0.303 189 N C -0.597 174.911 175.510 -0.002 0.000 1.140 189 N CA -0.430 52.623 53.050 0.006 0.000 0.788 189 N CB 2.005 40.493 38.487 0.002 0.000 1.361 189 N HN 0.364 nan 8.380 nan 0.000 0.489 193 E N 0.097 120.266 120.200 -0.050 0.000 2.338 193 E HA 0.537 4.887 4.350 0.000 0.000 0.272 193 E C 0.298 176.860 176.600 -0.064 0.000 1.029 193 E CA 0.068 56.428 56.400 -0.066 0.000 0.872 193 E CB 1.179 30.841 29.700 -0.062 0.000 1.015 193 E HN 0.646 nan 8.360 nan 0.000 0.417 194 G N 1.513 110.267 108.800 -0.077 0.000 2.870 194 G HA2 0.094 4.054 3.960 0.000 0.000 0.299 194 G HA3 0.094 4.054 3.960 0.000 0.000 0.299 194 G C -0.252 174.604 174.900 -0.073 0.000 1.324 194 G CA -0.648 44.412 45.100 -0.067 0.000 0.808 194 G HN 0.554 nan 8.290 nan 0.000 0.535 195 N N -0.725 117.938 118.700 -0.062 0.000 2.235 195 N HA 0.165 4.905 4.740 0.000 0.000 0.209 195 N C -0.088 175.391 175.510 -0.052 0.000 1.122 195 N CA -0.127 52.889 53.050 -0.056 0.000 0.845 195 N CB 0.266 38.724 38.487 -0.048 0.000 1.004 195 N HN 0.383 nan 8.380 nan 0.000 0.499 196 I N 0.501 121.037 120.570 -0.057 0.000 2.336 196 I HA 0.437 4.607 4.170 0.000 0.000 0.292 196 I C 0.422 176.518 176.117 -0.035 0.000 0.991 196 I CA -1.166 60.106 61.300 -0.045 0.000 1.227 196 I CB 1.755 39.725 38.000 -0.050 0.000 1.366 196 I HN 0.022 nan 8.210 nan 0.000 0.466 197 G N 5.845 114.642 108.800 -0.005 0.000 2.322 197 G HA2 0.567 4.527 3.960 0.000 0.000 0.309 197 G HA3 0.567 4.527 3.960 0.000 0.000 0.309 197 G C -0.673 174.244 174.900 0.029 0.000 1.121 197 G CA -0.281 44.838 45.100 0.031 0.000 0.886 197 G HN 0.350 nan 8.290 nan 0.000 0.447 198 V N 3.410 123.340 119.914 0.026 0.000 2.581 198 V HA 0.564 4.684 4.120 0.000 0.000 0.303 198 V C -0.051 176.034 176.094 -0.015 0.000 1.041 198 V CA -0.605 61.695 62.300 0.001 0.000 0.907 198 V CB 1.671 33.483 31.823 -0.020 0.000 0.994 198 V HN 0.626 nan 8.190 nan 0.000 0.442 199 I N 2.619 123.147 120.570 -0.070 0.000 2.582 199 I HA 0.811 4.982 4.170 0.000 0.000 0.292 199 I C 0.173 176.046 176.117 -0.407 0.000 1.066 199 I CA -0.361 60.839 61.300 -0.168 0.000 1.053 199 I CB 2.404 40.361 38.000 -0.071 0.000 1.241 199 I HN 0.779 nan 8.210 nan 0.000 0.421 200 G N 3.210 111.790 108.800 -0.366 0.000 2.759 200 G HA2 0.608 4.568 3.960 0.000 0.000 0.297 200 G HA3 0.608 4.568 3.960 0.000 0.000 0.297 200 G C -1.107 173.632 174.900 -0.268 0.000 1.434 200 G CA -0.459 44.406 45.100 -0.392 0.000 0.980 200 G HN 0.706 nan 8.290 nan 0.000 0.531 201 A N 0.805 123.478 122.820 -0.244 0.000 3.264 201 A HA 0.749 5.069 4.320 0.000 0.000 0.299 201 A C 0.387 177.936 177.584 -0.058 0.000 1.272 201 A CA 0.103 52.077 52.037 -0.106 0.000 1.030 201 A CB -0.144 18.831 19.000 -0.042 0.000 1.102 201 A HN 1.411 nan 8.150 nan 0.000 0.615 202 S N -1.630 114.033 115.700 -0.061 0.000 2.537 202 S HA 0.595 5.065 4.470 0.000 0.000 0.271 202 S C 0.883 175.477 174.600 -0.009 0.000 1.148 202 S CA 0.198 58.384 58.200 -0.024 0.000 0.868 202 S CB 1.100 64.290 63.200 -0.016 0.000 1.115 202 S HN 0.684 nan 8.310 nan 0.000 0.461 203 G N 1.352 110.165 108.800 0.020 0.000 2.655 203 G HA2 0.026 3.986 3.960 0.000 0.000 0.217 203 G HA3 0.026 3.986 3.960 0.000 0.000 0.217 203 G C 1.366 176.300 174.900 0.057 0.000 1.279 203 G CA 1.109 46.244 45.100 0.058 0.000 0.870 203 G HN 1.077 nan 8.290 nan 0.000 0.560 204 T N -0.811 113.775 114.554 0.053 0.000 3.051 204 T HA 0.133 4.483 4.350 0.000 0.000 0.269 204 T C 2.274 176.985 174.700 0.018 0.000 1.127 204 T CA 1.380 63.500 62.100 0.034 0.000 1.107 204 T CB -0.155 68.727 68.868 0.024 0.000 0.898 204 T HN 0.294 nan 8.240 nan 0.000 0.517 205 G N 1.554 110.363 108.800 0.014 0.000 2.402 205 G HA2 0.001 3.961 3.960 0.000 0.000 0.216 205 G HA3 0.001 3.961 3.960 0.000 0.000 0.216 205 G C 1.456 176.351 174.900 -0.008 0.000 1.162 205 G CA 0.470 45.573 45.100 0.005 0.000 0.777 205 G HN 0.552 nan 8.290 nan 0.000 0.539 206 I N 0.209 120.770 120.570 -0.015 0.000 2.252 206 I HA -0.186 3.984 4.170 0.000 0.000 0.245 206 I C 3.038 179.150 176.117 -0.008 0.000 1.102 206 I CA 1.024 62.309 61.300 -0.024 0.000 1.385 206 I CB -0.180 37.804 38.000 -0.026 0.000 1.064 206 I HN 0.240 nan 8.210 nan 0.000 0.414 207 Q N 0.137 119.941 119.800 0.006 0.000 2.050 207 Q HA -0.278 4.062 4.340 0.000 0.000 0.202 207 Q C 2.112 178.111 176.000 -0.001 0.000 0.980 207 Q CA 1.753 57.561 55.803 0.008 0.000 0.840 207 Q CB -0.133 28.616 28.738 0.018 0.000 0.898 207 Q HN 0.333 nan 8.270 nan 0.000 0.424 208 E N 1.056 121.256 120.200 -0.001 0.000 2.072 208 E HA -0.183 4.167 4.350 0.000 0.000 0.191 208 E C 1.770 178.367 176.600 -0.006 0.000 0.985 208 E CA 0.696 57.095 56.400 -0.003 0.000 0.801 208 E CB -0.301 29.400 29.700 0.002 0.000 0.750 208 E HN 0.226 nan 8.360 nan 0.000 0.452 209 L N 0.129 121.347 121.223 -0.008 0.000 2.012 209 L HA -0.190 4.150 4.340 0.000 0.000 0.210 209 L C 2.275 179.134 176.870 -0.018 0.000 1.073 209 L CA 2.010 56.842 54.840 -0.013 0.000 0.748 209 L CB -0.908 41.140 42.059 -0.018 0.000 0.891 209 L HN 0.324 nan 8.230 nan 0.000 0.431 210 C N -1.476 117.813 119.300 -0.018 0.000 2.446 210 C HA -0.121 4.339 4.460 0.000 0.000 0.277 210 C C 3.170 178.148 174.990 -0.019 0.000 1.275 210 C CA 1.110 60.116 59.018 -0.020 0.000 1.727 210 C CB -0.994 26.735 27.740 -0.018 0.000 2.010 210 C HN 0.743 nan 8.230 nan 0.000 0.486 211 S N -0.110 115.582 115.700 -0.015 0.000 2.374 211 S HA -0.214 4.256 4.470 0.000 0.000 0.227 211 S C 2.023 176.613 174.600 -0.016 0.000 1.037 211 S CA 1.587 59.778 58.200 -0.014 0.000 1.024 211 S CB -0.256 62.937 63.200 -0.011 0.000 0.861 211 S HN 0.605 nan 8.310 nan 0.000 0.456 212 Q N 0.498 120.289 119.800 -0.016 0.000 2.079 212 Q HA 0.031 4.371 4.340 0.000 0.000 0.200 212 Q C 2.298 178.284 176.000 -0.023 0.000 0.974 212 Q CA 1.198 56.991 55.803 -0.017 0.000 0.840 212 Q CB -0.559 28.170 28.738 -0.015 0.000 0.898 212 Q HN 0.613 nan 8.270 nan 0.000 0.430 213 I N 0.810 121.364 120.570 -0.027 0.000 2.208 213 I HA -0.300 3.870 4.170 0.000 0.000 0.245 213 I C 2.333 178.431 176.117 -0.033 0.000 1.097 213 I CA 1.169 62.448 61.300 -0.034 0.000 1.363 213 I CB -0.377 37.601 38.000 -0.037 0.000 1.051 213 I HN 0.085 nan 8.210 nan 0.000 0.413 214 A N 0.384 123.186 122.820 -0.029 0.000 1.898 214 A HA -0.196 4.124 4.320 0.000 0.000 0.216 214 A C 2.194 179.763 177.584 -0.025 0.000 1.181 214 A CA 1.317 53.338 52.037 -0.027 0.000 0.620 214 A CB -0.767 18.218 19.000 -0.024 0.000 0.819 214 A HN 0.327 nan 8.150 nan 0.000 0.442 215 L N -0.301 120.909 121.223 -0.022 0.000 2.131 215 L HA -0.067 4.273 4.340 0.000 0.000 0.210 215 L C 2.579 179.435 176.870 -0.023 0.000 1.092 215 L CA 1.802 56.630 54.840 -0.020 0.000 0.759 215 L CB -0.685 41.364 42.059 -0.017 0.000 0.903 215 L HN 0.372 nan 8.230 nan 0.000 0.435 216 A N -1.539 121.265 122.820 -0.026 0.000 2.235 216 A HA 0.366 4.686 4.320 0.000 0.000 0.208 216 A C 1.738 179.302 177.584 -0.032 0.000 1.172 216 A CA 0.776 52.795 52.037 -0.030 0.000 0.786 216 A CB -0.796 18.183 19.000 -0.035 0.000 0.804 216 A HN 0.686 nan 8.150 nan 0.000 0.479 217 G N -1.318 107.464 108.800 -0.031 0.000 2.175 217 G HA2 -0.179 3.781 3.960 0.000 0.000 0.244 217 G HA3 -0.179 3.781 3.960 0.000 0.000 0.244 217 G C -0.011 174.867 174.900 -0.036 0.000 0.982 217 G CA 0.363 45.444 45.100 -0.031 0.000 0.641 217 G HN 0.481 nan 8.290 nan 0.000 0.527 218 E N -0.150 120.026 120.200 -0.040 0.000 2.446 218 E HA 0.764 5.114 4.350 0.000 0.000 0.251 218 E C 0.717 177.291 176.600 -0.044 0.000 1.087 218 E CA 0.148 56.521 56.400 -0.045 0.000 0.937 218 E CB 1.301 30.970 29.700 -0.052 0.000 1.254 218 E HN 0.726 nan 8.360 nan 0.000 0.479 219 G N -0.503 108.268 108.800 -0.050 0.000 2.866 219 G HA2 0.670 4.631 3.960 0.000 0.000 0.289 219 G HA3 0.670 4.631 3.960 0.000 0.000 0.289 219 G C -0.910 173.953 174.900 -0.062 0.000 1.396 219 G CA -0.669 44.399 45.100 -0.053 0.000 0.848 219 G HN 0.457 nan 8.290 nan 0.000 0.515 220 I N -3.008 117.517 120.570 -0.074 0.000 3.108 220 I HA 0.724 4.895 4.170 0.000 0.000 0.312 220 I C 1.014 177.039 176.117 -0.154 0.000 1.095 220 I CA -0.566 60.680 61.300 -0.091 0.000 1.000 220 I CB 2.243 40.200 38.000 -0.071 0.000 1.229 220 I HN 0.597 nan 8.210 nan 0.000 0.454 221 T N -2.048 112.376 114.554 -0.217 0.000 2.925 221 T HA 0.308 4.658 4.350 0.000 0.000 0.245 221 T C 0.533 174.723 174.700 -0.849 0.000 1.025 221 T CA 0.585 62.395 62.100 -0.483 0.000 1.149 221 T CB -0.334 68.305 68.868 -0.382 0.000 0.866 221 T HN 0.727 nan 8.240 nan 0.000 0.437 222 H N -0.052 119.005 119.070 -0.021 0.000 3.014 222 H HA 0.680 5.237 4.556 0.000 0.000 0.337 222 H C -1.538 173.775 175.328 -0.026 0.000 1.320 222 H CA -0.929 55.106 56.048 -0.022 0.000 1.128 222 H CB 1.684 31.434 29.762 -0.021 0.000 1.862 222 H HN 0.437 nan 8.280 nan 0.000 0.536 223 A N 2.247 125.128 122.820 0.102 0.000 2.605 223 A HA 0.470 4.791 4.320 0.000 0.000 0.293 223 A C -0.538 177.058 177.584 0.018 0.000 1.216 223 A CA -0.549 51.508 52.037 0.032 0.000 0.742 223 A CB -0.093 18.910 19.000 0.005 0.000 1.170 223 A HN 0.504 nan 8.150 nan 0.000 0.443 224 I N 3.008 123.579 120.570 0.002 0.000 2.301 224 I HA 0.328 4.498 4.170 0.000 0.000 0.292 224 I C 1.154 177.240 176.117 -0.051 0.000 1.046 224 I CA -0.176 61.111 61.300 -0.021 0.000 1.282 224 I CB 1.338 39.326 38.000 -0.020 0.000 1.409 224 I HN 0.666 nan 8.210 nan 0.000 0.484 225 G N 5.914 114.689 108.800 -0.042 0.000 2.432 225 G HA2 0.436 4.396 3.960 0.000 0.000 0.257 225 G HA3 0.436 4.396 3.960 0.000 0.000 0.257 225 G C 0.539 175.410 174.900 -0.047 0.000 1.238 225 G CA -0.395 44.675 45.100 -0.050 0.000 0.838 225 G HN 0.696 nan 8.290 nan 0.000 0.547 226 L N 1.295 122.484 121.223 -0.056 0.000 2.609 226 L HA 0.425 4.765 4.340 0.000 0.000 0.230 226 L C 1.185 178.041 176.870 -0.023 0.000 1.064 226 L CA 0.531 55.350 54.840 -0.034 0.000 0.873 226 L CB -0.018 42.020 42.059 -0.034 0.000 1.139 226 L HN 0.901 nan 8.230 nan 0.000 0.490 227 G N -0.493 108.288 108.800 -0.031 0.000 2.885 227 G HA2 -0.037 3.923 3.960 0.000 0.000 0.685 227 G HA3 -0.037 3.923 3.960 0.000 0.000 0.685 227 G C 0.488 175.374 174.900 -0.024 0.000 1.216 227 G CA -0.528 44.554 45.100 -0.030 0.000 0.790 227 G HN 0.141 nan 8.290 nan 0.000 0.631 228 G N 0.388 109.171 108.800 -0.028 0.000 2.475 228 G HA2 -0.140 3.820 3.960 0.000 0.000 0.220 228 G HA3 -0.140 3.820 3.960 0.000 0.000 0.220 228 G C 1.427 176.325 174.900 -0.003 0.000 1.125 228 G CA 1.375 46.466 45.100 -0.016 0.000 0.755 228 G HN 0.826 nan 8.290 nan 0.000 0.565 229 R N -0.274 120.223 120.500 -0.006 0.000 2.393 229 R HA 0.183 4.523 4.340 0.000 0.000 0.244 229 R C 1.451 177.757 176.300 0.010 0.000 0.920 229 R CA 0.329 56.430 56.100 0.001 0.000 1.076 229 R CB 0.112 30.408 30.300 -0.006 0.000 1.119 229 R HN 0.327 nan 8.270 nan 0.000 0.524 230 D N 1.102 121.513 120.400 0.017 0.000 2.133 230 D HA -0.162 4.478 4.640 0.000 0.000 0.195 230 D C 0.991 177.320 176.300 0.049 0.000 0.997 230 D CA 1.153 55.172 54.000 0.032 0.000 0.840 230 D CB 0.210 41.034 40.800 0.040 0.000 0.947 230 D HN 0.071 nan 8.370 nan 0.000 0.452 231 L N 0.530 121.792 121.223 0.065 0.000 2.612 231 L HA 0.177 4.517 4.340 0.000 0.000 0.230 231 L C 0.894 177.775 176.870 0.017 0.000 1.140 231 L CA -0.089 54.791 54.840 0.066 0.000 0.896 231 L CB -0.456 41.675 42.059 0.120 0.000 1.065 231 L HN 0.032 nan 8.230 nan 0.000 0.447 232 S N -1.182 114.524 115.700 0.010 0.000 2.596 232 S HA 0.070 4.540 4.470 0.000 0.000 0.260 232 S C 1.454 176.048 174.600 -0.011 0.000 1.336 232 S CA -0.427 57.769 58.200 -0.006 0.000 0.993 232 S CB 0.814 64.011 63.200 -0.004 0.000 0.923 232 S HN 0.328 nan 8.310 nan 0.000 0.567 233 R N 0.599 121.088 120.500 -0.018 0.000 2.083 233 R HA -0.151 4.189 4.340 0.000 0.000 0.237 233 R C 1.859 178.152 176.300 -0.013 0.000 1.137 233 R CA 2.022 58.111 56.100 -0.019 0.000 0.951 233 R CB -0.533 29.755 30.300 -0.021 0.000 0.851 233 R HN 0.823 nan 8.270 nan 0.000 0.434 234 E N -0.279 119.915 120.200 -0.010 0.000 2.051 234 E HA -0.145 4.205 4.350 0.000 0.000 0.192 234 E C 1.945 178.542 176.600 -0.005 0.000 0.991 234 E CA 1.564 57.959 56.400 -0.008 0.000 0.799 234 E CB -0.084 29.612 29.700 -0.007 0.000 0.748 234 E HN 0.141 nan 8.360 nan 0.000 0.449 235 V N -0.851 119.061 119.914 -0.002 0.000 2.407 235 V HA 0.022 4.142 4.120 0.000 0.000 0.245 235 V C 1.716 177.813 176.094 0.006 0.000 1.041 235 V CA 1.349 63.651 62.300 0.003 0.000 1.040 235 V CB -0.826 31.001 31.823 0.007 0.000 0.671 235 V HN 0.540 nan 8.190 nan 0.000 0.455 236 G N -0.538 108.266 108.800 0.005 0.000 2.136 236 G HA2 -0.026 3.934 3.960 0.000 0.000 0.242 236 G HA3 -0.026 3.934 3.960 0.000 0.000 0.242 236 G C 0.936 175.846 174.900 0.018 0.000 0.989 236 G CA 0.293 45.396 45.100 0.005 0.000 0.682 236 G HN 1.731 nan 8.290 nan 0.000 0.522 237 G N -0.846 107.975 108.800 0.035 0.000 2.176 237 G HA2 -0.283 3.677 3.960 0.000 0.000 0.252 237 G HA3 -0.283 3.677 3.960 0.000 0.000 0.252 237 G C 1.289 176.223 174.900 0.056 0.000 1.024 237 G CA 0.805 45.944 45.100 0.064 0.000 0.755 237 G HN 1.208 nan 8.290 nan 0.000 0.507 238 I N 0.418 121.010 120.570 0.037 0.000 2.091 238 I HA -0.251 3.919 4.170 0.000 0.000 0.239 238 I C 2.784 178.924 176.117 0.037 0.000 1.061 238 I CA 2.130 63.447 61.300 0.029 0.000 1.317 238 I CB -0.533 37.477 38.000 0.017 0.000 1.031 238 I HN 0.293 nan 8.210 nan 0.000 0.401 239 S N 0.442 116.165 115.700 0.040 0.000 2.402 239 S HA -0.072 4.398 4.470 0.000 0.000 0.229 239 S C 2.189 176.831 174.600 0.070 0.000 1.021 239 S CA 1.050 59.273 58.200 0.040 0.000 0.974 239 S CB -0.280 62.936 63.200 0.026 0.000 0.800 239 S HN 0.537 nan 8.310 nan 0.000 0.484 240 A N 1.673 124.562 122.820 0.114 0.000 1.877 240 A HA -0.027 4.293 4.320 0.000 0.000 0.216 240 A C 2.086 179.768 177.584 0.163 0.000 1.186 240 A CA 1.162 53.327 52.037 0.215 0.000 0.620 240 A CB -0.723 18.467 19.000 0.317 0.000 0.822 240 A HN 0.451 nan 8.150 nan 0.000 0.443 241 L N -0.799 120.483 121.223 0.097 0.000 2.046 241 L HA -0.168 4.172 4.340 0.000 0.000 0.208 241 L C 2.845 179.745 176.870 0.050 0.000 1.077 241 L CA 1.784 56.660 54.840 0.061 0.000 0.747 241 L CB -0.969 41.113 42.059 0.037 0.000 0.896 241 L HN 0.362 nan 8.230 nan 0.000 0.432 242 T N -0.015 114.565 114.554 0.043 0.000 2.652 242 T HA -0.219 4.131 4.350 0.000 0.000 0.267 242 T C 2.032 176.748 174.700 0.027 0.000 1.039 242 T CA 1.462 63.577 62.100 0.026 0.000 1.153 242 T CB -0.370 68.508 68.868 0.016 0.000 0.863 242 T HN 0.448 nan 8.240 nan 0.000 0.428 243 A N 1.233 124.077 122.820 0.040 0.000 1.892 243 A HA -0.076 4.245 4.320 0.000 0.000 0.218 243 A C 2.363 179.980 177.584 0.055 0.000 1.188 243 A CA 1.464 53.523 52.037 0.037 0.000 0.631 243 A CB -1.039 17.992 19.000 0.051 0.000 0.822 243 A HN 0.480 nan 8.150 nan 0.000 0.447 244 L N -0.477 120.798 121.223 0.086 0.000 2.042 244 L HA -0.162 4.178 4.340 0.000 0.000 0.210 244 L C 1.491 178.387 176.870 0.043 0.000 1.076 244 L CA 0.861 55.749 54.840 0.079 0.000 0.749 244 L CB -0.543 41.563 42.059 0.078 0.000 0.893 244 L HN 0.499 nan 8.230 nan 0.000 0.432 248 S N 0.944 116.660 115.700 0.026 0.000 2.402 248 S HA -0.032 4.438 4.470 0.000 0.000 0.229 248 S C 1.707 176.319 174.600 0.019 0.000 1.021 248 S CA 1.557 59.771 58.200 0.023 0.000 0.974 248 S CB 0.138 63.350 63.200 0.020 0.000 0.800 248 S HN 0.436 nan 8.310 nan 0.000 0.484 249 A N 0.099 122.926 122.820 0.012 0.000 2.218 249 A HA 0.234 4.554 4.320 0.000 0.000 0.209 249 A C 0.669 178.256 177.584 0.005 0.000 1.168 249 A CA 0.221 52.263 52.037 0.008 0.000 0.804 249 A CB -0.262 18.736 19.000 -0.003 0.000 0.834 249 A HN 0.540 nan 8.150 nan 0.000 0.482 250 D N 0.022 120.429 120.400 0.012 0.000 2.365 250 D HA 0.193 4.833 4.640 0.000 0.000 0.237 250 D C 1.003 177.323 176.300 0.032 0.000 1.190 250 D CA -0.140 53.876 54.000 0.027 0.000 0.867 250 D CB 0.695 41.533 40.800 0.064 0.000 1.050 250 D HN 0.387 nan 8.370 nan 0.000 0.491 251 E N 3.317 123.533 120.200 0.026 0.000 2.130 251 E HA -0.263 4.087 4.350 0.000 0.000 0.196 251 E C 1.105 177.715 176.600 0.016 0.000 0.998 251 E CA 1.220 57.633 56.400 0.021 0.000 0.806 251 E CB 0.258 29.970 29.700 0.021 0.000 0.738 251 E HN 0.447 nan 8.360 nan 0.000 0.459 252 K N 0.102 120.512 120.400 0.018 0.000 2.283 252 K HA 0.015 4.335 4.320 0.000 0.000 0.202 252 K C 0.535 177.131 176.600 -0.007 0.000 1.048 252 K CA 0.525 56.812 56.287 -0.001 0.000 0.948 252 K CB 0.149 32.642 32.500 -0.011 0.000 0.742 252 K HN -0.087 nan 8.250 nan 0.000 0.458 253 S N 2.106 117.816 115.700 0.016 0.000 3.072 253 S HA 0.071 4.542 4.470 0.000 0.000 0.306 253 S C 0.404 175.008 174.600 0.008 0.000 1.207 253 S CA -0.155 58.055 58.200 0.016 0.000 1.008 253 S CB 0.306 63.540 63.200 0.056 0.000 1.390 253 S HN 0.213 nan 8.310 nan 0.000 0.523 254 E N 1.235 121.430 120.200 -0.008 0.000 2.299 254 E HA 0.053 4.403 4.350 0.000 0.000 0.193 254 E C -0.036 176.556 176.600 -0.014 0.000 0.998 254 E CA 0.454 56.848 56.400 -0.010 0.000 0.851 254 E CB 0.402 30.089 29.700 -0.021 0.000 0.795 254 E HN 0.319 nan 8.360 nan 0.000 0.492 255 V N 1.724 121.625 119.914 -0.021 0.000 2.760 255 V HA 0.335 4.455 4.120 0.000 0.000 0.309 255 V C -0.706 175.380 176.094 -0.013 0.000 1.077 255 V CA -0.733 61.549 62.300 -0.030 0.000 0.910 255 V CB 2.146 33.928 31.823 -0.068 0.000 1.008 255 V HN 0.056 nan 8.190 nan 0.000 0.424 256 L N 3.321 124.545 121.223 0.002 0.000 2.342 256 L HA 0.968 5.308 4.340 0.000 0.000 0.271 256 L C -0.076 176.807 176.870 0.021 0.000 1.008 256 L CA -0.708 54.146 54.840 0.023 0.000 0.818 256 L CB 2.034 44.122 42.059 0.047 0.000 1.296 256 L HN 0.740 nan 8.230 nan 0.000 0.427 257 A N 2.532 125.374 122.820 0.035 0.000 2.375 257 A HA 0.659 4.979 4.320 0.000 0.000 0.295 257 A C -1.575 176.057 177.584 0.081 0.000 1.066 257 A CA -0.289 51.768 52.037 0.033 0.000 0.722 257 A CB 1.020 20.016 19.000 -0.007 0.000 1.206 257 A HN 0.574 nan 8.150 nan 0.000 0.435 258 F N 3.018 122.921 119.950 -0.078 0.000 2.482 258 F HA 0.686 5.213 4.527 0.000 0.000 0.331 258 F C -0.612 175.133 175.800 -0.093 0.000 1.115 258 F CA -0.672 57.286 58.000 -0.069 0.000 0.955 258 F CB 1.815 40.770 39.000 -0.076 0.000 1.136 258 F HN 0.517 nan 8.300 nan 0.000 0.452 259 V N 6.083 125.848 119.914 -0.248 0.000 2.686 259 V HA 0.860 4.981 4.120 0.000 0.000 0.306 259 V C -1.352 174.679 176.094 -0.105 0.000 1.065 259 V CA 0.354 62.612 62.300 -0.069 0.000 0.894 259 V CB 1.778 33.567 31.823 -0.057 0.000 1.004 259 V HN 1.071 nan 8.190 nan 0.000 0.424 260 S N 5.792 121.596 115.700 0.173 0.000 2.627 260 S HA 0.585 5.055 4.470 0.000 0.000 0.268 260 S C -1.453 173.320 174.600 0.288 0.000 1.130 260 S CA -1.120 57.204 58.200 0.208 0.000 0.819 260 S CB 1.618 65.002 63.200 0.308 0.000 1.100 260 S HN 0.690 nan 8.310 nan 0.000 0.465 261 K N 0.827 121.334 120.400 0.179 0.000 2.319 261 K HA 0.376 4.696 4.320 0.000 0.000 0.265 261 K C -2.725 173.937 176.600 0.103 0.000 1.000 261 K CA -1.838 54.528 56.287 0.133 0.000 0.943 261 K CB -0.448 32.092 32.500 0.068 0.000 0.950 261 K HN 0.451 nan 8.250 nan 0.000 0.485 262 P HA 0.063 nan 4.420 nan 0.000 0.261 262 P C -2.186 174.921 177.300 -0.321 0.000 1.203 262 P CA -0.644 62.267 63.100 -0.315 0.000 0.767 262 P CB 0.039 31.561 31.700 -0.297 0.000 0.785 263 P HA 0.223 nan 4.420 nan 0.000 0.281 263 P C -0.485 176.641 177.300 -0.290 0.000 1.249 263 P CA -0.482 62.444 63.100 -0.289 0.000 0.810 263 P CB 0.922 32.463 31.700 -0.265 0.000 1.008 264 A N 1.635 124.354 122.820 -0.169 0.000 2.536 264 A HA -0.068 4.252 4.320 0.000 0.000 0.234 264 A C 1.681 179.176 177.584 -0.148 0.000 1.076 264 A CA 0.302 52.260 52.037 -0.132 0.000 0.769 264 A CB -0.577 18.375 19.000 -0.079 0.000 1.020 264 A HN 0.769 nan 8.150 nan 0.000 0.508 265 E N 1.016 121.149 120.200 -0.112 0.000 2.082 265 E HA -0.307 4.044 4.350 0.000 0.000 0.215 265 E C 2.100 178.649 176.600 -0.085 0.000 1.048 265 E CA 2.358 58.701 56.400 -0.095 0.000 0.869 265 E CB -0.311 29.356 29.700 -0.055 0.000 0.773 265 E HN 0.820 nan 8.360 nan 0.000 0.466 266 A N 0.149 122.931 122.820 -0.064 0.000 1.883 266 A HA -0.180 4.141 4.320 0.000 0.000 0.217 266 A C 2.469 180.019 177.584 -0.057 0.000 1.186 266 A CA 1.830 53.837 52.037 -0.049 0.000 0.624 266 A CB -0.787 18.192 19.000 -0.036 0.000 0.822 266 A HN 0.260 nan 8.150 nan 0.000 0.444 267 V N -0.159 119.712 119.914 -0.071 0.000 2.295 267 V HA -0.259 3.861 4.120 0.000 0.000 0.246 267 V C 2.641 178.676 176.094 -0.100 0.000 1.049 267 V CA 2.297 64.555 62.300 -0.070 0.000 1.024 267 V CB -0.804 30.977 31.823 -0.071 0.000 0.648 267 V HN 0.637 nan 8.190 nan 0.000 0.447 268 R N -0.457 119.941 120.500 -0.169 0.000 2.091 268 R HA -0.206 4.134 4.340 0.000 0.000 0.238 268 R C 2.278 178.522 176.300 -0.094 0.000 1.136 268 R CA 1.897 57.856 56.100 -0.235 0.000 0.959 268 R CB -0.375 29.693 30.300 -0.385 0.000 0.856 268 R HN 0.442 nan 8.270 nan 0.000 0.437 269 L N 1.471 122.656 121.223 -0.064 0.000 2.017 269 L HA -0.164 4.176 4.340 0.000 0.000 0.208 269 L C 2.170 179.035 176.870 -0.009 0.000 1.073 269 L CA 1.934 56.764 54.840 -0.018 0.000 0.745 269 L CB -0.592 41.455 42.059 -0.020 0.000 0.894 269 L HN 0.064 nan 8.230 nan 0.000 0.432 270 K N -0.698 119.688 120.400 -0.023 0.000 2.063 270 K HA -0.188 4.132 4.320 0.000 0.000 0.208 270 K C 2.028 178.615 176.600 -0.020 0.000 1.048 270 K CA 1.693 57.970 56.287 -0.017 0.000 0.928 270 K CB -0.087 32.402 32.500 -0.018 0.000 0.713 270 K HN 0.307 nan 8.250 nan 0.000 0.442 271 I N 0.942 121.490 120.570 -0.036 0.000 2.142 271 I HA -0.225 3.945 4.170 0.000 0.000 0.240 271 I C 2.370 178.452 176.117 -0.059 0.000 1.078 271 I CA 1.063 62.320 61.300 -0.072 0.000 1.343 271 I CB -1.077 36.848 38.000 -0.125 0.000 1.046 271 I HN 0.003 nan 8.210 nan 0.000 0.405 272 V N 1.584 121.509 119.914 0.019 0.000 2.392 272 V HA -0.265 3.855 4.120 0.000 0.000 0.249 272 V C 2.296 178.402 176.094 0.020 0.000 1.059 272 V CA 1.659 63.997 62.300 0.064 0.000 1.051 272 V CB -0.873 31.076 31.823 0.210 0.000 0.658 272 V HN 0.427 nan 8.190 nan 0.000 0.455 273 N N 0.346 119.056 118.700 0.016 0.000 2.120 273 N HA -0.038 4.702 4.740 0.000 0.000 0.188 273 N C 1.091 176.597 175.510 -0.006 0.000 1.024 273 N CA 1.232 54.286 53.050 0.007 0.000 0.852 273 N CB -0.398 38.092 38.487 0.006 0.000 1.003 273 N HN 0.534 nan 8.380 nan 0.000 0.424 277 A N 1.730 124.545 122.820 -0.008 0.000 2.019 277 A HA -0.144 4.176 4.320 0.000 0.000 0.219 277 A C 2.119 179.703 177.584 -0.000 0.000 1.164 277 A CA 2.363 54.398 52.037 -0.004 0.000 0.644 277 A CB -0.947 18.053 19.000 -0.001 0.000 0.805 277 A HN 0.488 nan 8.150 nan 0.000 0.449 278 T N -3.926 110.630 114.554 0.002 0.000 2.867 278 T HA 0.232 4.582 4.350 0.000 0.000 0.268 278 T C 1.764 176.469 174.700 0.008 0.000 1.057 278 T CA 1.596 63.701 62.100 0.009 0.000 1.136 278 T CB -0.542 68.335 68.868 0.015 0.000 0.874 278 T HN 1.716 nan 8.240 nan 0.000 0.466 279 G N 1.296 110.100 108.800 0.005 0.000 2.234 279 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 279 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 279 G C 0.091 175.004 174.900 0.022 0.000 0.987 279 G CA 0.388 45.490 45.100 0.004 0.000 0.625 279 G HN 0.736 nan 8.290 nan 0.000 0.532 280 K N 1.229 121.646 120.400 0.030 0.000 2.185 280 K HA 0.454 4.774 4.320 0.000 0.000 0.271 280 K C -2.526 174.121 176.600 0.080 0.000 1.013 280 K CA -1.917 54.396 56.287 0.043 0.000 0.943 280 K CB 0.900 33.418 32.500 0.031 0.000 0.998 280 K HN -0.020 nan 8.250 nan 0.000 0.468 281 P HA -0.015 nan 4.420 nan 0.000 0.263 281 P C -1.116 176.255 177.300 0.117 0.000 1.195 281 P CA 0.424 63.636 63.100 0.187 0.000 0.762 281 P CB 0.591 32.310 31.700 0.033 0.000 0.799 282 T N 2.614 117.292 114.554 0.207 0.000 2.916 282 T HA 0.368 4.718 4.350 0.000 0.000 0.298 282 T C -0.610 174.146 174.700 0.093 0.000 1.031 282 T CA -0.455 61.699 62.100 0.090 0.000 0.993 282 T CB 1.183 70.065 68.868 0.023 0.000 1.045 282 T HN -0.102 nan 8.240 nan 0.000 0.454 283 V N 2.619 122.540 119.914 0.011 0.000 2.347 283 V HA 0.701 4.821 4.120 0.000 0.000 0.280 283 V C 0.196 176.234 176.094 -0.094 0.000 1.021 283 V CA -0.825 61.464 62.300 -0.018 0.000 0.847 283 V CB 1.101 32.907 31.823 -0.029 0.000 0.990 283 V HN 1.077 nan 8.190 nan 0.000 0.444 284 A N 5.932 128.605 122.820 -0.244 0.000 2.253 284 A HA 0.738 5.058 4.320 0.000 0.000 0.316 284 A C -0.809 176.542 177.584 -0.387 0.000 1.327 284 A CA -0.387 51.400 52.037 -0.417 0.000 0.917 284 A CB 0.522 19.101 19.000 -0.702 0.000 1.162 284 A HN 0.770 nan 8.150 nan 0.000 0.535 285 L N 3.949 125.006 121.223 -0.276 0.000 2.277 285 L HA 0.663 5.003 4.340 0.000 0.000 0.284 285 L C -1.662 175.158 176.870 -0.083 0.000 1.028 285 L CA -0.377 54.394 54.840 -0.114 0.000 0.835 285 L CB 0.017 42.079 42.059 0.006 0.000 1.215 285 L HN 0.479 nan 8.230 nan 0.000 0.425 286 F N 5.807 125.904 119.950 0.244 0.000 2.293 286 F HA 0.395 4.922 4.527 0.000 0.000 0.370 286 F C 0.120 176.033 175.800 0.187 0.000 1.090 286 F CA -1.087 57.014 58.000 0.169 0.000 1.133 286 F CB 0.496 39.514 39.000 0.029 0.000 1.360 286 F HN 0.247 nan 8.300 nan 0.000 0.489 287 L N 3.514 124.916 121.223 0.298 0.000 2.706 287 L HA 0.072 4.412 4.340 0.000 0.000 0.282 287 L C 1.312 178.312 176.870 0.216 0.000 1.219 287 L CA 0.515 55.480 54.840 0.208 0.000 0.935 287 L CB -0.550 41.597 42.059 0.146 0.000 1.204 287 L HN 0.959 nan 8.230 nan 0.000 0.491 288 G N 2.890 111.805 108.800 0.191 0.000 2.350 288 G HA2 -0.335 3.626 3.960 0.000 0.000 0.298 288 G HA3 -0.335 3.626 3.960 0.000 0.000 0.298 288 G C -0.623 174.423 174.900 0.242 0.000 1.037 288 G CA 0.104 45.305 45.100 0.169 0.000 1.074 288 G HN 0.723 nan 8.290 nan 0.000 0.511 289 Y N 0.659 121.029 120.300 0.117 0.000 2.322 289 Y HA 0.544 5.094 4.550 0.000 0.000 0.324 289 Y C 0.330 176.291 175.900 0.102 0.000 1.027 289 Y CA -0.717 57.450 58.100 0.112 0.000 1.179 289 Y CB 1.273 39.838 38.460 0.175 0.000 1.136 289 Y HN 0.175 nan 8.280 nan 0.000 0.449 290 T N 8.847 123.214 114.554 -0.312 0.000 2.738 290 T HA 0.221 4.572 4.350 0.000 0.000 0.293 290 T C -2.525 171.858 174.700 -0.529 0.000 0.913 290 T CA -0.840 61.084 62.100 -0.294 0.000 1.103 290 T CB 0.115 68.867 68.868 -0.194 0.000 0.880 290 T HN 0.431 nan 8.240 nan 0.000 0.526 291 P HA 0.355 nan 4.420 nan 0.000 0.281 291 P C 0.436 177.611 177.300 -0.209 0.000 1.252 291 P CA -0.501 62.428 63.100 -0.284 0.000 0.778 291 P CB 1.340 33.008 31.700 -0.053 0.000 0.895 292 A N 4.079 126.763 122.820 -0.227 0.000 1.872 292 A HA 0.042 4.362 4.320 0.000 0.000 0.214 292 A C 0.984 178.508 177.584 -0.099 0.000 1.187 292 A CA 1.133 53.084 52.037 -0.144 0.000 0.614 292 A CB -0.581 18.341 19.000 -0.131 0.000 0.826 292 A HN 0.450 nan 8.150 nan 0.000 0.442 293 V N -0.453 119.385 119.914 -0.127 0.000 2.427 293 V HA 0.495 4.615 4.120 0.000 0.000 0.286 293 V C 1.269 177.382 176.094 0.031 0.000 1.034 293 V CA 0.051 62.318 62.300 -0.055 0.000 0.893 293 V CB 1.096 32.885 31.823 -0.058 0.000 0.982 293 V HN 0.445 nan 8.190 nan 0.000 0.452 294 A N 4.752 127.628 122.820 0.092 0.000 2.021 294 A HA 0.168 4.488 4.320 0.000 0.000 0.216 294 A C 1.134 178.848 177.584 0.216 0.000 1.163 294 A CA 0.721 52.867 52.037 0.182 0.000 0.676 294 A CB 0.087 19.171 19.000 0.140 0.000 0.818 294 A HN 0.733 nan 8.150 nan 0.000 0.453 295 R N -0.361 120.192 120.500 0.089 0.000 2.584 295 R HA 0.381 4.721 4.340 0.000 0.000 0.276 295 R C -2.520 173.736 176.300 -0.074 0.000 1.046 295 R CA -0.533 55.470 56.100 -0.162 0.000 0.906 295 R CB 1.366 31.377 30.300 -0.481 0.000 1.215 295 R HN 0.071 nan 8.270 nan 0.000 0.449 296 D N 3.663 124.003 120.400 -0.100 0.000 2.389 296 D HA 0.231 4.871 4.640 0.000 0.000 0.256 296 D C -0.346 175.862 176.300 -0.152 0.000 1.239 296 D CA 0.069 54.060 54.000 -0.016 0.000 0.925 296 D CB 0.778 41.714 40.800 0.226 0.000 1.145 296 D HN 0.783 nan 8.370 nan 0.000 0.542 297 E N 1.204 121.294 120.200 -0.184 0.000 3.132 297 E HA -0.310 4.040 4.350 0.000 0.000 0.362 297 E C 0.737 177.146 176.600 -0.318 0.000 1.473 297 E CA 1.597 57.889 56.400 -0.181 0.000 1.471 297 E CB -0.835 28.809 29.700 -0.093 0.000 1.727 297 E HN 0.600 nan 8.360 nan 0.000 0.509 298 N N 1.633 120.211 118.700 -0.202 0.000 2.383 298 N HA 0.032 4.772 4.740 0.000 0.000 0.192 298 N C -0.084 175.349 175.510 -0.128 0.000 1.141 298 N CA 0.470 53.440 53.050 -0.133 0.000 0.851 298 N CB 0.386 38.879 38.487 0.010 0.000 0.976 298 N HN 0.071 nan 8.380 nan 0.000 0.465 299 V N 1.107 120.837 119.914 -0.306 0.000 2.398 299 V HA 0.290 4.410 4.120 0.000 0.000 0.286 299 V C -0.463 175.344 176.094 -0.478 0.000 1.026 299 V CA -0.872 61.234 62.300 -0.323 0.000 0.868 299 V CB 1.343 32.893 31.823 -0.455 0.000 0.982 299 V HN 0.186 nan 8.190 nan 0.000 0.443 300 W N 4.105 125.194 121.300 -0.351 0.000 2.376 300 W HA 0.545 5.205 4.660 -0.000 0.000 0.312 300 W C -0.845 175.467 176.519 -0.344 0.000 1.060 300 W CA -0.763 56.450 57.345 -0.220 0.000 1.221 300 W CB 1.734 31.133 29.460 -0.101 0.000 1.281 300 W HN 0.442 nan 8.180 nan 0.000 0.456 301 F N 2.083 122.131 119.950 0.162 0.000 2.394 301 F HA 0.545 5.073 4.527 0.000 0.000 0.340 301 F C 0.670 176.541 175.800 0.118 0.000 1.105 301 F CA -0.365 57.699 58.000 0.105 0.000 1.124 301 F CB 1.016 40.092 39.000 0.125 0.000 1.145 301 F HN 0.251 nan 8.300 nan 0.000 0.505 302 A N 1.442 124.403 122.820 0.236 0.000 2.430 302 A HA 0.617 4.937 4.320 0.000 0.000 0.300 302 A C 0.271 177.965 177.584 0.182 0.000 1.124 302 A CA -0.191 51.949 52.037 0.171 0.000 0.766 302 A CB 1.729 20.787 19.000 0.097 0.000 1.328 302 A HN 0.659 nan 8.150 nan 0.000 0.424 303 S N -0.700 115.087 115.700 0.145 0.000 2.564 303 S HA 0.204 4.674 4.470 0.000 0.000 0.231 303 S C 0.774 175.444 174.600 0.117 0.000 1.067 303 S CA 0.998 59.287 58.200 0.148 0.000 0.908 303 S CB -0.270 62.999 63.200 0.114 0.000 0.809 303 S HN 1.497 nan 8.310 nan 0.000 0.491 304 S N 0.205 115.956 115.700 0.086 0.000 2.648 304 S HA 0.599 5.069 4.470 0.000 0.000 0.305 304 S C 0.786 175.417 174.600 0.050 0.000 1.094 304 S CA -0.782 57.457 58.200 0.065 0.000 0.983 304 S CB 1.065 64.295 63.200 0.051 0.000 1.101 304 S HN 0.256 nan 8.310 nan 0.000 0.514 305 L N 1.018 122.264 121.223 0.040 0.000 2.046 305 L HA -0.101 4.239 4.340 0.000 0.000 0.208 305 L C 2.526 179.405 176.870 0.015 0.000 1.077 305 L CA 1.814 56.669 54.840 0.025 0.000 0.747 305 L CB -0.643 41.428 42.059 0.020 0.000 0.896 305 L HN 0.879 nan 8.230 nan 0.000 0.432 306 D N -0.202 120.207 120.400 0.015 0.000 2.144 306 D HA -0.281 4.359 4.640 0.000 0.000 0.200 306 D C 1.815 178.119 176.300 0.007 0.000 0.978 306 D CA 1.301 55.306 54.000 0.007 0.000 0.833 306 D CB -0.327 40.478 40.800 0.008 0.000 0.961 306 D HN 0.523 nan 8.370 nan 0.000 0.470 307 E N 1.267 121.477 120.200 0.018 0.000 2.072 307 E HA -0.132 4.218 4.350 0.000 0.000 0.191 307 E C 2.183 178.790 176.600 0.011 0.000 0.985 307 E CA 0.995 57.408 56.400 0.021 0.000 0.801 307 E CB -0.106 29.619 29.700 0.042 0.000 0.750 307 E HN 0.259 nan 8.360 nan 0.000 0.452 308 A N 1.393 124.222 122.820 0.016 0.000 1.908 308 A HA -0.124 4.196 4.320 0.000 0.000 0.218 308 A C 2.406 179.975 177.584 -0.024 0.000 1.181 308 A CA 1.956 53.994 52.037 0.002 0.000 0.627 308 A CB -0.760 18.245 19.000 0.008 0.000 0.818 308 A HN 0.432 nan 8.150 nan 0.000 0.445 309 A N -0.625 122.182 122.820 -0.021 0.000 1.873 309 A HA -0.136 4.184 4.320 0.000 0.000 0.215 309 A C 2.263 179.819 177.584 -0.048 0.000 1.186 309 A CA 1.577 53.594 52.037 -0.034 0.000 0.616 309 A CB -0.517 18.468 19.000 -0.024 0.000 0.823 309 A HN 0.517 nan 8.150 nan 0.000 0.442 310 R N -0.465 120.011 120.500 -0.040 0.000 2.083 310 R HA -0.121 4.219 4.340 0.000 0.000 0.237 310 R C 2.068 178.318 176.300 -0.084 0.000 1.137 310 R CA 1.785 57.855 56.100 -0.049 0.000 0.951 310 R CB -0.440 29.843 30.300 -0.029 0.000 0.851 310 R HN 0.552 nan 8.270 nan 0.000 0.434 311 L N -0.170 120.996 121.223 -0.094 0.000 2.056 311 L HA -0.129 4.211 4.340 0.000 0.000 0.207 311 L C 2.704 179.440 176.870 -0.224 0.000 1.078 311 L CA 1.264 55.998 54.840 -0.176 0.000 0.749 311 L CB -0.528 41.441 42.059 -0.150 0.000 0.901 311 L HN 0.297 nan 8.230 nan 0.000 0.433 312 A N -0.880 121.850 122.820 -0.151 0.000 1.940 312 A HA -0.235 4.085 4.320 0.000 0.000 0.219 312 A C 2.372 179.871 177.584 -0.142 0.000 1.176 312 A CA 1.941 53.893 52.037 -0.143 0.000 0.631 312 A CB -1.135 17.812 19.000 -0.087 0.000 0.814 312 A HN 0.554 nan 8.150 nan 0.000 0.446 313 C N -1.462 117.768 119.300 -0.118 0.000 2.457 313 C HA 0.015 4.475 4.460 0.000 0.000 0.278 313 C C 2.498 177.412 174.990 -0.127 0.000 1.309 313 C CA 0.897 59.852 59.018 -0.104 0.000 1.735 313 C CB -1.311 26.382 27.740 -0.077 0.000 1.992 313 C HN 0.682 nan 8.230 nan 0.000 0.493 314 L N 0.913 122.042 121.223 -0.156 0.000 2.017 314 L HA -0.095 4.245 4.340 0.000 0.000 0.208 314 L C 2.266 179.001 176.870 -0.225 0.000 1.073 314 L CA 1.944 56.678 54.840 -0.176 0.000 0.745 314 L CB -0.784 41.155 42.059 -0.200 0.000 0.894 314 L HN 0.297 nan 8.230 nan 0.000 0.432 315 L N -1.160 119.878 121.223 -0.308 0.000 2.141 315 L HA -0.166 4.174 4.340 0.000 0.000 0.209 315 L C 2.704 179.455 176.870 -0.199 0.000 1.094 315 L CA 1.298 55.937 54.840 -0.334 0.000 0.763 315 L CB -0.786 41.005 42.059 -0.446 0.000 0.908 315 L HN 0.421 nan 8.230 nan 0.000 0.437 316 S N 0.173 115.778 115.700 -0.159 0.000 2.356 316 S HA -0.178 4.292 4.470 0.000 0.000 0.223 316 S C 2.177 176.719 174.600 -0.097 0.000 1.032 316 S CA 1.178 59.312 58.200 -0.110 0.000 1.005 316 S CB -0.050 63.094 63.200 -0.094 0.000 0.867 316 S HN 0.345 nan 8.310 nan 0.000 0.449 317 R N 0.109 120.548 120.500 -0.101 0.000 2.075 317 R HA -0.012 4.328 4.340 0.000 0.000 0.232 317 R C 2.335 178.583 176.300 -0.086 0.000 1.126 317 R CA 1.532 57.581 56.100 -0.084 0.000 0.963 317 R CB -0.733 29.519 30.300 -0.080 0.000 0.858 317 R HN 0.353 nan 8.270 nan 0.000 0.435 318 V N 0.661 120.512 119.914 -0.104 0.000 2.295 318 V HA -0.229 3.891 4.120 0.000 0.000 0.246 318 V C 2.189 178.233 176.094 -0.082 0.000 1.049 318 V CA 2.223 64.464 62.300 -0.098 0.000 1.024 318 V CB -0.612 31.137 31.823 -0.123 0.000 0.648 318 V HN 0.386 nan 8.190 nan 0.000 0.447 319 T N 0.345 114.849 114.554 -0.083 0.000 2.821 319 T HA -0.109 4.241 4.350 0.000 0.000 0.267 319 T C 2.039 176.707 174.700 -0.053 0.000 1.046 319 T CA 1.483 63.548 62.100 -0.058 0.000 1.139 319 T CB -0.384 68.452 68.868 -0.055 0.000 0.871 319 T HN 0.558 nan 8.240 nan 0.000 0.454 320 A N 1.551 124.335 122.820 -0.059 0.000 1.898 320 A HA -0.056 4.265 4.320 0.000 0.000 0.216 320 A C 2.312 179.863 177.584 -0.055 0.000 1.181 320 A CA 1.476 53.482 52.037 -0.052 0.000 0.620 320 A CB -0.515 18.453 19.000 -0.053 0.000 0.819 320 A HN 0.368 nan 8.150 nan 0.000 0.442 321 R N -0.567 119.895 120.500 -0.064 0.000 2.092 321 R HA -0.104 4.236 4.340 0.000 0.000 0.231 321 R C 2.473 178.718 176.300 -0.092 0.000 1.119 321 R CA 1.424 57.480 56.100 -0.073 0.000 0.970 321 R CB -0.231 30.025 30.300 -0.075 0.000 0.864 321 R HN 0.602 nan 8.270 nan 0.000 0.440 322 R N 0.305 120.753 120.500 -0.087 0.000 2.066 322 R HA -0.089 4.251 4.340 0.000 0.000 0.232 322 R C 1.516 177.767 176.300 -0.081 0.000 1.131 322 R CA 1.762 57.803 56.100 -0.098 0.000 0.955 322 R CB -0.224 30.040 30.300 -0.061 0.000 0.851 322 R HN 0.235 nan 8.270 nan 0.000 0.432 323 N N 0.724 119.393 118.700 -0.052 0.000 2.289 323 N HA -0.134 4.606 4.740 0.000 0.000 0.184 323 N C 1.533 177.019 175.510 -0.039 0.000 1.016 323 N CA 1.339 54.368 53.050 -0.035 0.000 0.872 323 N CB -0.199 38.273 38.487 -0.025 0.000 0.973 323 N HN 0.365 nan 8.380 nan 0.000 0.433 324 A N 1.345 124.135 122.820 -0.050 0.000 1.854 324 A HA 0.002 4.322 4.320 0.000 0.000 0.214 324 A C 2.259 179.811 177.584 -0.053 0.000 1.192 324 A CA 0.736 52.747 52.037 -0.043 0.000 0.611 324 A CB -0.623 18.352 19.000 -0.043 0.000 0.832 324 A HN 0.179 nan 8.150 nan 0.000 0.442 325 I N -0.366 120.144 120.570 -0.101 0.000 2.454 325 I HA -0.140 4.030 4.170 0.000 0.000 0.254 325 I C 1.482 177.537 176.117 -0.103 0.000 1.156 325 I CA 0.639 61.847 61.300 -0.153 0.000 1.433 325 I CB -0.531 37.244 38.000 -0.374 0.000 1.082 325 I HN 0.434 nan 8.210 nan 0.000 0.432 326 A N 0.944 123.720 122.820 -0.075 0.000 2.203 326 A HA -0.156 4.164 4.320 0.000 0.000 0.279 326 A C -1.965 175.627 177.584 0.013 0.000 1.396 326 A CA -0.364 51.660 52.037 -0.021 0.000 0.747 326 A CB -2.079 16.923 19.000 0.004 0.000 1.151 326 A HN 0.235 nan 8.150 nan 0.000 0.345 327 P HA 0.300 nan 4.420 nan 0.000 0.268 327 P C 0.986 178.349 177.300 0.105 0.000 1.208 327 P CA 0.020 63.185 63.100 0.107 0.000 0.777 327 P CB 0.881 32.635 31.700 0.090 0.000 0.875 328 V N -0.299 119.689 119.914 0.124 0.000 3.137 328 V HA 0.050 4.170 4.120 0.000 0.000 0.236 328 V C 0.579 176.712 176.094 0.065 0.000 1.260 328 V CA 0.883 63.231 62.300 0.079 0.000 1.244 328 V CB 0.274 32.135 31.823 0.064 0.000 1.016 328 V HN 0.634 nan 8.190 nan 0.000 0.477 329 S N 1.079 116.818 115.700 0.064 0.000 2.473 329 S HA 0.609 5.079 4.470 0.000 0.000 0.307 329 S C -0.003 174.610 174.600 0.022 0.000 1.094 329 S CA -0.201 58.015 58.200 0.026 0.000 1.070 329 S CB 1.726 64.922 63.200 -0.008 0.000 1.019 329 S HN 0.495 nan 8.310 nan 0.000 0.480 330 S N 2.738 118.440 115.700 0.004 0.000 2.617 330 S HA 0.823 5.293 4.470 0.000 0.000 0.255 330 S C 0.700 175.224 174.600 -0.127 0.000 1.318 330 S CA 0.085 58.276 58.200 -0.015 0.000 0.978 330 S CB 0.242 63.445 63.200 0.005 0.000 0.961 330 S HN 1.788 nan 8.310 nan 0.000 0.582 331 G N -0.658 108.029 108.800 -0.188 0.000 2.393 331 G HA2 0.473 4.433 3.960 0.000 0.000 0.264 331 G HA3 0.473 4.433 3.960 0.000 0.000 0.264 331 G C -1.840 172.842 174.900 -0.362 0.000 1.221 331 G CA -0.867 43.960 45.100 -0.455 0.000 0.912 331 G HN 0.561 nan 8.290 nan 0.000 0.483 332 F N -0.082 119.922 119.950 0.089 0.000 2.556 332 F HA 0.773 5.300 4.527 0.000 0.000 0.327 332 F C 0.415 176.356 175.800 0.235 0.000 1.059 332 F CA -1.296 56.786 58.000 0.136 0.000 0.953 332 F CB 1.777 40.771 39.000 -0.009 0.000 1.227 332 F HN 0.244 nan 8.300 nan 0.000 0.478 333 I N 1.778 122.744 120.570 0.661 0.000 2.359 333 I HA 0.353 4.523 4.170 0.000 0.000 0.294 333 I C -0.861 175.429 176.117 0.290 0.000 0.987 333 I CA -0.491 61.030 61.300 0.368 0.000 1.225 333 I CB 1.414 39.545 38.000 0.219 0.000 1.366 333 I HN 0.520 nan 8.210 nan 0.000 0.466 334 C N 5.658 125.081 119.300 0.206 0.000 2.344 334 C HA 0.754 5.214 4.460 0.000 0.000 0.326 334 C C 0.393 175.470 174.990 0.146 0.000 1.201 334 C CA -0.323 58.792 59.018 0.163 0.000 1.410 334 C CB -0.302 27.522 27.740 0.140 0.000 2.070 334 C HN 0.931 nan 8.230 nan 0.000 0.445 335 G N 5.893 114.799 108.800 0.176 0.000 2.322 335 G HA2 0.600 4.560 3.960 0.000 0.000 0.309 335 G HA3 0.600 4.560 3.960 0.000 0.000 0.309 335 G C -0.899 174.131 174.900 0.216 0.000 1.121 335 G CA -0.374 44.880 45.100 0.256 0.000 0.886 335 G HN 0.826 nan 8.290 nan 0.000 0.447 336 L N 3.049 124.307 121.223 0.058 0.000 2.356 336 L HA 0.326 4.666 4.340 0.000 0.000 0.264 336 L C -0.962 175.833 176.870 -0.124 0.000 1.029 336 L CA -0.753 54.081 54.840 -0.009 0.000 0.897 336 L CB 0.628 42.652 42.059 -0.058 0.000 1.256 336 L HN 0.441 nan 8.230 nan 0.000 0.444 337 Y N 0.374 120.645 120.300 -0.048 0.000 2.361 337 Y HA 0.238 4.788 4.550 0.000 0.000 0.332 337 Y C 1.566 177.445 175.900 -0.035 0.000 1.101 337 Y CA -0.465 57.618 58.100 -0.028 0.000 1.137 337 Y CB 1.954 40.409 38.460 -0.007 0.000 1.207 337 Y HN 0.523 nan 8.280 nan 0.000 0.463 338 T N -1.985 112.631 114.554 0.103 0.000 3.023 338 T HA 0.243 4.593 4.350 0.000 0.000 0.249 338 T C 0.867 175.691 174.700 0.206 0.000 1.050 338 T CA 0.370 62.530 62.100 0.099 0.000 1.088 338 T CB -0.159 68.757 68.868 0.080 0.000 0.946 338 T HN 0.710 nan 8.240 nan 0.000 0.480 339 G N 0.079 109.005 108.800 0.210 0.000 2.319 339 G HA2 0.511 4.471 3.960 0.000 0.000 0.308 339 G HA3 0.511 4.471 3.960 0.000 0.000 0.308 339 G C 0.986 175.984 174.900 0.163 0.000 1.117 339 G CA -0.241 44.973 45.100 0.189 0.000 0.903 339 G HN 0.301 nan 8.290 nan 0.000 0.436 340 G N 1.794 110.677 108.800 0.138 0.000 2.421 340 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 340 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 340 G C 1.710 176.633 174.900 0.038 0.000 1.171 340 G CA 1.697 46.850 45.100 0.089 0.000 0.775 340 G HN 0.565 nan 8.290 nan 0.000 0.543 341 T N 1.596 116.173 114.554 0.039 0.000 2.746 341 T HA -0.060 4.290 4.350 0.000 0.000 0.267 341 T C 2.445 177.138 174.700 -0.012 0.000 1.039 341 T CA 1.102 63.210 62.100 0.013 0.000 1.142 341 T CB -0.247 68.633 68.868 0.021 0.000 0.866 341 T HN 0.179 nan 8.240 nan 0.000 0.444 342 L N 0.821 122.052 121.223 0.014 0.000 2.083 342 L HA -0.075 4.265 4.340 0.000 0.000 0.209 342 L C 3.063 179.790 176.870 -0.239 0.000 1.083 342 L CA 1.146 55.981 54.840 -0.007 0.000 0.752 342 L CB -0.810 41.342 42.059 0.154 0.000 0.899 342 L HN 0.231 nan 8.230 nan 0.000 0.433 343 A N 0.372 123.031 122.820 -0.268 0.000 1.877 343 A HA -0.142 4.178 4.320 0.000 0.000 0.216 343 A C 2.581 179.966 177.584 -0.333 0.000 1.186 343 A CA 1.788 53.513 52.037 -0.522 0.000 0.620 343 A CB -0.681 18.205 19.000 -0.189 0.000 0.822 343 A HN 0.387 nan 8.150 nan 0.000 0.443 344 A N -0.355 122.368 122.820 -0.161 0.000 1.898 344 A HA -0.159 4.161 4.320 0.000 0.000 0.216 344 A C 2.030 179.551 177.584 -0.105 0.000 1.181 344 A CA 1.867 53.846 52.037 -0.097 0.000 0.620 344 A CB -0.556 18.420 19.000 -0.041 0.000 0.819 344 A HN 0.678 nan 8.150 nan 0.000 0.442 345 E N -0.056 120.082 120.200 -0.105 0.000 2.051 345 E HA -0.108 4.242 4.350 0.000 0.000 0.192 345 E C 2.097 178.628 176.600 -0.115 0.000 0.991 345 E CA 1.205 57.556 56.400 -0.083 0.000 0.799 345 E CB -0.314 29.355 29.700 -0.051 0.000 0.748 345 E HN 0.502 nan 8.360 nan 0.000 0.449 346 A N 1.163 123.868 122.820 -0.192 0.000 1.908 346 A HA -0.160 4.160 4.320 0.000 0.000 0.218 346 A C 2.428 179.916 177.584 -0.160 0.000 1.181 346 A CA 2.042 53.961 52.037 -0.197 0.000 0.627 346 A CB -0.967 17.773 19.000 -0.434 0.000 0.818 346 A HN 0.447 nan 8.150 nan 0.000 0.445 347 A N -0.567 122.146 122.820 -0.177 0.000 1.877 347 A HA 0.128 4.448 4.320 0.000 0.000 0.216 347 A C 2.449 179.979 177.584 -0.090 0.000 1.186 347 A CA 1.964 53.936 52.037 -0.108 0.000 0.620 347 A CB -1.440 17.509 19.000 -0.085 0.000 0.822 347 A HN 0.759 nan 8.150 nan 0.000 0.443 348 G N -0.206 108.541 108.800 -0.090 0.000 2.418 348 G HA2 -0.162 3.798 3.960 0.000 0.000 0.217 348 G HA3 -0.162 3.798 3.960 0.000 0.000 0.217 348 G C 1.567 176.388 174.900 -0.133 0.000 1.158 348 G CA 1.067 46.116 45.100 -0.084 0.000 0.771 348 G HN 0.429 nan 8.290 nan 0.000 0.545 349 L N -0.471 120.653 121.223 -0.164 0.000 2.027 349 L HA -0.004 4.336 4.340 0.000 0.000 0.206 349 L C 2.677 179.222 176.870 -0.542 0.000 1.074 349 L CA 0.507 55.160 54.840 -0.313 0.000 0.745 349 L CB -0.437 41.507 42.059 -0.190 0.000 0.898 349 L HN 0.214 nan 8.230 nan 0.000 0.433 350 L N 0.208 121.277 121.223 -0.256 0.000 2.141 350 L HA -0.087 4.253 4.340 0.000 0.000 0.209 350 L C 2.587 179.397 176.870 -0.101 0.000 1.094 350 L CA 1.839 56.603 54.840 -0.127 0.000 0.763 350 L CB -0.721 41.323 42.059 -0.024 0.000 0.908 350 L HN 0.139 nan 8.230 nan 0.000 0.437 351 A N -0.651 122.109 122.820 -0.101 0.000 1.933 351 A HA -0.051 4.269 4.320 0.000 0.000 0.218 351 A C 2.321 179.872 177.584 -0.054 0.000 1.175 351 A CA 1.468 53.473 52.037 -0.053 0.000 0.628 351 A CB -1.427 17.545 19.000 -0.047 0.000 0.814 351 A HN 0.507 nan 8.150 nan 0.000 0.444 352 G N -1.055 107.673 108.800 -0.120 0.000 2.404 352 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 352 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 352 G C 1.364 176.272 174.900 0.014 0.000 1.174 352 G CA 1.086 46.138 45.100 -0.081 0.000 0.780 352 G HN 0.778 nan 8.290 nan 0.000 0.537 353 H N 0.007 119.098 119.070 0.035 0.000 2.387 353 H HA 0.084 4.640 4.556 0.000 0.000 0.299 353 H C 2.219 177.566 175.328 0.032 0.000 1.090 353 H CA 0.605 56.683 56.048 0.050 0.000 1.332 353 H CB -0.007 29.795 29.762 0.067 0.000 1.386 353 H HN 0.219 nan 8.280 nan 0.000 0.516 354 L N 0.294 121.594 121.223 0.129 0.000 2.599 354 L HA 0.125 4.465 4.340 0.000 0.000 0.230 354 L C 0.881 177.792 176.870 0.069 0.000 1.141 354 L CA 0.065 54.956 54.840 0.085 0.000 0.877 354 L CB -0.019 42.069 42.059 0.049 0.000 1.009 354 L HN 0.385 nan 8.230 nan 0.000 0.447 355 G N 1.395 110.226 108.800 0.052 0.000 2.363 355 G HA2 -0.194 3.766 3.960 0.000 0.000 0.286 355 G HA3 -0.194 3.766 3.960 0.000 0.000 0.286 355 G C -0.507 174.407 174.900 0.025 0.000 0.975 355 G CA 0.574 45.691 45.100 0.029 0.000 1.309 355 G HN 0.202 nan 8.290 nan 0.000 0.491 356 V N 0.775 120.697 119.914 0.014 0.000 3.098 356 V HA 0.520 4.640 4.120 0.000 0.000 0.294 356 V C -0.126 175.964 176.094 -0.006 0.000 1.351 356 V CA -0.968 61.338 62.300 0.010 0.000 0.999 356 V CB 1.935 33.774 31.823 0.027 0.000 1.104 356 V HN 0.601 nan 8.190 nan 0.000 0.438 357 E N 3.234 123.427 120.200 -0.013 0.000 2.354 357 E HA 0.650 5.000 4.350 0.000 0.000 0.269 357 E C -0.024 176.558 176.600 -0.029 0.000 1.036 357 E CA 0.354 56.739 56.400 -0.026 0.000 0.876 357 E CB 1.651 31.332 29.700 -0.031 0.000 1.009 357 E HN 0.947 nan 8.360 nan 0.000 0.416 363 Q N 0.662 120.467 119.800 0.008 0.000 2.245 363 Q HA 0.333 4.673 4.340 0.000 0.000 0.256 363 Q C -0.263 175.683 176.000 -0.090 0.000 0.942 363 Q CA 0.113 55.851 55.803 -0.110 0.000 0.896 363 Q CB 0.511 29.101 28.738 -0.246 0.000 1.272 363 Q HN 0.514 nan 8.270 nan 0.000 0.442 364 H N 1.895 120.854 119.070 -0.185 0.000 2.971 364 H HA -0.257 4.299 4.556 0.000 0.000 0.281 364 H C 0.570 175.883 175.328 -0.026 0.000 1.131 364 H CA 0.233 56.103 56.048 -0.296 0.000 1.166 364 H CB -1.171 28.044 29.762 -0.912 0.000 1.311 364 H HN 1.065 nan 8.280 nan 0.000 0.349 369 D N 3.604 124.017 120.400 0.021 0.000 2.826 369 D HA 0.682 5.322 4.640 0.000 0.000 0.239 369 D C -1.657 174.637 176.300 -0.009 0.000 1.329 369 D CA 0.665 54.669 54.000 0.006 0.000 0.854 369 D CB 1.055 41.851 40.800 -0.007 0.000 1.494 369 D HN 0.890 nan 8.370 nan 0.000 0.540 370 A N 2.304 125.131 122.820 0.013 0.000 2.398 370 A HA 0.614 4.934 4.320 0.000 0.000 0.301 370 A C -0.060 177.521 177.584 -0.004 0.000 1.041 370 A CA -0.565 51.478 52.037 0.009 0.000 0.711 370 A CB 1.169 20.194 19.000 0.043 0.000 1.240 370 A HN 0.298 nan 8.150 nan 0.000 0.420 371 D N 1.706 122.063 120.400 -0.072 0.000 2.751 371 D HA -0.188 4.453 4.640 0.000 0.000 0.233 371 D C 0.714 176.713 176.300 -0.501 0.000 1.149 371 D CA 1.729 55.636 54.000 -0.155 0.000 0.682 371 D CB -1.418 39.387 40.800 0.010 0.000 1.068 371 D HN 1.096 nan 8.370 nan 0.000 0.429 372 S N -2.248 113.140 115.700 -0.521 0.000 2.929 372 S HA -0.234 4.236 4.470 0.000 0.000 0.271 372 S C 0.296 174.516 174.600 -0.633 0.000 1.295 372 S CA 1.019 58.712 58.200 -0.846 0.000 1.277 372 S CB -0.801 61.194 63.200 -2.008 0.000 1.557 372 S HN 0.603 nan 8.310 nan 0.000 0.666 373 H N 1.786 120.746 119.070 -0.182 0.000 2.580 373 H HA 0.567 5.123 4.556 0.000 0.000 0.322 373 H C 0.545 175.864 175.328 -0.016 0.000 1.082 373 H CA 0.352 56.386 56.048 -0.023 0.000 1.383 373 H CB 0.496 30.284 29.762 0.043 0.000 1.450 373 H HN 0.490 nan 8.280 nan 0.000 0.505 374 Q N 2.398 122.284 119.800 0.143 0.000 2.347 374 Q HA 0.422 4.762 4.340 0.000 0.000 0.271 374 Q C -0.768 175.299 176.000 0.113 0.000 1.064 374 Q CA -0.867 54.994 55.803 0.097 0.000 0.800 374 Q CB 2.725 31.504 28.738 0.068 0.000 1.304 374 Q HN 0.431 nan 8.270 nan 0.000 0.438 375 I N 3.897 124.519 120.570 0.086 0.000 2.411 375 I HA 0.450 4.620 4.170 0.000 0.000 0.284 375 I C -0.493 175.668 176.117 0.073 0.000 1.012 375 I CA -0.420 60.929 61.300 0.082 0.000 1.119 375 I CB 1.075 39.072 38.000 -0.004 0.000 1.261 375 I HN 0.570 nan 8.210 nan 0.000 0.448 376 I N 4.604 125.239 120.570 0.108 0.000 2.441 376 I HA 0.284 4.454 4.170 0.000 0.000 0.295 376 I C -0.064 176.090 176.117 0.061 0.000 0.994 376 I CA -0.669 60.672 61.300 0.069 0.000 1.144 376 I CB 2.236 40.242 38.000 0.009 0.000 1.314 376 I HN 0.376 nan 8.210 nan 0.000 0.445 377 D N 6.575 127.007 120.400 0.055 0.000 2.479 377 D HA 0.230 4.870 4.640 0.000 0.000 0.218 377 D C 0.690 176.984 176.300 -0.009 0.000 1.131 377 D CA -0.168 53.868 54.000 0.061 0.000 0.916 377 D CB 0.859 41.709 40.800 0.084 0.000 1.022 377 D HN 0.463 nan 8.370 nan 0.000 0.515 378 L N 2.514 123.650 121.223 -0.144 0.000 2.549 378 L HA 0.084 4.424 4.340 0.000 0.000 0.229 378 L C 2.169 178.963 176.870 -0.127 0.000 1.158 378 L CA 0.659 55.317 54.840 -0.303 0.000 0.842 378 L CB 0.135 42.011 42.059 -0.305 0.000 0.952 378 L HN 0.453 nan 8.230 nan 0.000 0.452 379 G N -1.118 107.627 108.800 -0.093 0.000 2.985 379 G HA2 -0.129 3.832 3.960 0.000 0.000 0.209 379 G HA3 -0.129 3.832 3.960 0.000 0.000 0.209 379 G C 0.248 175.154 174.900 0.010 0.000 1.165 379 G CA -0.264 44.703 45.100 -0.221 0.000 0.776 379 G HN 0.290 nan 8.290 nan 0.000 0.541 380 D N -0.230 120.257 120.400 0.145 0.000 2.382 380 D HA 0.084 4.724 4.640 0.000 0.000 0.240 380 D C 1.119 177.524 176.300 0.176 0.000 1.146 380 D CA -0.328 53.789 54.000 0.195 0.000 0.897 380 D CB 0.781 41.752 40.800 0.285 0.000 1.197 380 D HN -0.120 nan 8.370 nan 0.000 0.432 381 D N 1.846 122.321 120.400 0.125 0.000 2.182 381 D HA -0.211 4.429 4.640 0.000 0.000 0.201 381 D C 1.551 177.870 176.300 0.033 0.000 0.986 381 D CA 0.726 54.769 54.000 0.072 0.000 0.847 381 D CB -0.278 40.556 40.800 0.057 0.000 0.942 381 D HN 0.457 nan 8.370 nan 0.000 0.467 382 F N 0.073 119.936 119.950 -0.146 0.000 2.307 382 F HA -0.219 4.308 4.527 0.000 0.000 0.301 382 F C 1.234 176.766 175.800 -0.447 0.000 1.076 382 F CA 1.161 58.930 58.000 -0.385 0.000 1.383 382 F CB -0.048 38.601 39.000 -0.586 0.000 1.055 382 F HN -0.052 nan 8.300 nan 0.000 0.526 383 Y N -1.562 118.695 120.300 -0.071 0.000 2.481 383 Y HA 0.130 4.680 4.550 0.000 0.000 0.247 383 Y C 2.014 177.840 175.900 -0.123 0.000 1.151 383 Y CA 0.596 58.617 58.100 -0.132 0.000 1.238 383 Y CB -0.253 38.191 38.460 -0.025 0.000 1.179 383 Y HN 0.047 nan 8.280 nan 0.000 0.524 384 T N -2.641 111.926 114.554 0.021 0.000 3.054 384 T HA 0.167 4.517 4.350 0.000 0.000 0.255 384 T C 0.357 175.041 174.700 -0.027 0.000 1.035 384 T CA -0.031 62.066 62.100 -0.004 0.000 0.941 384 T CB -0.966 67.906 68.868 0.006 0.000 1.026 384 T HN -0.017 nan 8.240 nan 0.000 0.533 385 V N 0.236 120.107 119.914 -0.072 0.000 2.485 385 V HA 0.615 4.735 4.120 0.000 0.000 0.287 385 V C 1.496 177.555 176.094 -0.059 0.000 1.022 385 V CA 0.144 62.401 62.300 -0.073 0.000 1.067 385 V CB -0.376 31.375 31.823 -0.119 0.000 0.967 385 V HN 0.739 nan 8.190 nan 0.000 0.479 386 G N 3.484 112.263 108.800 -0.035 0.000 2.148 386 G HA2 -0.246 3.714 3.960 0.000 0.000 0.254 386 G HA3 -0.246 3.714 3.960 0.000 0.000 0.254 386 G C 0.238 175.128 174.900 -0.016 0.000 0.981 386 G CA 0.549 45.633 45.100 -0.026 0.000 0.670 386 G HN 1.490 nan 8.290 nan 0.000 0.528 387 R N -1.349 119.146 120.500 -0.009 0.000 2.739 387 R HA 0.662 5.002 4.340 0.000 0.000 0.271 387 R C -3.298 173.013 176.300 0.018 0.000 1.010 387 R CA -1.919 54.182 56.100 0.002 0.000 0.897 387 R CB 0.523 30.821 30.300 -0.004 0.000 1.236 387 R HN 0.035 nan 8.270 nan 0.000 0.466 388 P HA 0.011 nan 4.420 nan 0.000 0.270 388 P C -0.747 176.599 177.300 0.078 0.000 1.223 388 P CA -0.200 62.936 63.100 0.059 0.000 0.785 388 P CB 0.319 32.050 31.700 0.053 0.000 0.923 389 H N 3.478 122.563 119.070 0.025 0.000 2.897 389 H HA 0.053 4.609 4.556 0.000 0.000 0.347 389 H C -1.952 173.392 175.328 0.026 0.000 1.068 389 H CA -1.148 54.919 56.048 0.031 0.000 1.426 389 H CB 0.199 29.980 29.762 0.032 0.000 1.410 389 H HN 0.272 nan 8.280 nan 0.000 0.597 393 D N 3.916 124.354 120.400 0.063 0.000 2.686 393 D HA 0.403 5.043 4.640 0.000 0.000 0.249 393 D C -2.214 174.102 176.300 0.026 0.000 1.260 393 D CA -1.342 52.681 54.000 0.038 0.000 0.910 393 D CB 3.051 43.871 40.800 0.034 0.000 1.323 393 D HN 0.033 nan 8.370 nan 0.000 0.561 394 P HA 0.020 nan 4.420 nan 0.000 0.245 394 P C 1.165 178.468 177.300 0.004 0.000 1.206 394 P CA 0.133 63.238 63.100 0.008 0.000 0.781 394 P CB 0.577 32.281 31.700 0.007 0.000 0.994 395 T N 1.558 116.116 114.554 0.008 0.000 2.565 395 T HA -0.227 4.123 4.350 0.000 0.000 0.265 395 T C 1.760 176.462 174.700 0.005 0.000 1.082 395 T CA 1.850 63.955 62.100 0.007 0.000 1.173 395 T CB -0.987 67.885 68.868 0.008 0.000 0.864 395 T HN 0.068 nan 8.240 nan 0.000 0.425 396 L N 1.303 122.526 121.223 0.000 0.000 1.970 396 L HA -0.084 4.256 4.340 0.000 0.000 0.212 396 L C 2.592 179.458 176.870 -0.007 0.000 1.071 396 L CA 1.999 56.840 54.840 0.000 0.000 0.751 396 L CB -0.668 41.390 42.059 -0.001 0.000 0.889 396 L HN 0.119 nan 8.230 nan 0.000 0.432 397 R N -0.285 120.200 120.500 -0.024 0.000 2.096 397 R HA -0.229 4.111 4.340 0.000 0.000 0.240 397 R C 2.141 178.437 176.300 -0.007 0.000 1.139 397 R CA 2.354 58.435 56.100 -0.032 0.000 0.952 397 R CB -0.592 29.680 30.300 -0.046 0.000 0.854 397 R HN 0.644 nan 8.270 nan 0.000 0.436 398 N N -0.156 118.545 118.700 0.003 0.000 2.205 398 N HA -0.211 4.529 4.740 0.000 0.000 0.186 398 N C 1.938 177.463 175.510 0.025 0.000 1.015 398 N CA 1.168 54.230 53.050 0.020 0.000 0.862 398 N CB -0.050 38.449 38.487 0.020 0.000 0.986 398 N HN 0.395 nan 8.380 nan 0.000 0.429 399 Q N 0.728 120.538 119.800 0.018 0.000 2.046 399 Q HA -0.043 4.297 4.340 0.000 0.000 0.200 399 Q C 2.151 178.166 176.000 0.025 0.000 0.975 399 Q CA 0.968 56.782 55.803 0.020 0.000 0.836 399 Q CB 0.040 28.788 28.738 0.017 0.000 0.896 399 Q HN 0.381 nan 8.270 nan 0.000 0.428 400 L N 0.151 121.388 121.223 0.023 0.000 2.083 400 L HA -0.205 4.135 4.340 0.000 0.000 0.209 400 L C 2.224 179.117 176.870 0.040 0.000 1.083 400 L CA 0.880 55.738 54.840 0.030 0.000 0.752 400 L CB -0.372 41.697 42.059 0.017 0.000 0.899 400 L HN 0.295 nan 8.230 nan 0.000 0.433 401 I N -0.144 120.452 120.570 0.043 0.000 2.163 401 I HA -0.268 3.902 4.170 0.000 0.000 0.240 401 I C 2.845 179.004 176.117 0.071 0.000 1.081 401 I CA 1.169 62.512 61.300 0.072 0.000 1.353 401 I CB -0.509 37.546 38.000 0.091 0.000 1.054 401 I HN 0.182 nan 8.210 nan 0.000 0.407 402 A N 0.599 123.450 122.820 0.052 0.000 1.948 402 A HA -0.266 4.054 4.320 0.000 0.000 0.220 402 A C 1.824 179.419 177.584 0.019 0.000 1.177 402 A CA 2.221 54.275 52.037 0.029 0.000 0.636 402 A CB -0.687 18.325 19.000 0.020 0.000 0.815 402 A HN 0.399 nan 8.150 nan 0.000 0.449 403 D N -0.204 120.212 120.400 0.026 0.000 2.350 403 D HA -0.047 4.593 4.640 0.000 0.000 0.216 403 D C 1.640 177.957 176.300 0.028 0.000 0.968 403 D CA 0.522 54.537 54.000 0.025 0.000 0.894 403 D CB -0.244 40.575 40.800 0.032 0.000 0.909 403 D HN 0.501 nan 8.370 nan 0.000 0.520 404 L N 0.215 121.459 121.223 0.036 0.000 2.291 404 L HA 0.005 4.345 4.340 0.000 0.000 0.214 404 L C 2.457 179.335 176.870 0.014 0.000 1.120 404 L CA 0.763 55.627 54.840 0.041 0.000 0.799 404 L CB -0.411 41.688 42.059 0.067 0.000 0.925 404 L HN 0.066 nan 8.230 nan 0.000 0.446 405 G N -0.127 108.668 108.800 -0.009 0.000 2.462 405 G HA2 -0.239 3.721 3.960 0.000 0.000 0.220 405 G HA3 -0.239 3.721 3.960 0.000 0.000 0.220 405 G C 1.529 176.412 174.900 -0.028 0.000 1.121 405 G CA 0.776 45.852 45.100 -0.040 0.000 0.758 405 G HN 0.474 nan 8.290 nan 0.000 0.559 406 A N -0.584 122.231 122.820 -0.008 0.000 2.275 406 A HA 0.355 4.675 4.320 0.000 0.000 0.212 406 A C 1.096 178.686 177.584 0.009 0.000 1.201 406 A CA 0.113 52.148 52.037 -0.002 0.000 0.843 406 A CB 0.166 19.169 19.000 0.004 0.000 0.873 406 A HN 0.274 nan 8.150 nan 0.000 0.492 407 K N 0.387 120.797 120.400 0.016 0.000 2.484 407 K HA 0.281 4.601 4.320 0.000 0.000 0.226 407 K C -2.368 174.245 176.600 0.022 0.000 1.031 407 K CA -1.817 54.491 56.287 0.034 0.000 1.026 407 K CB 1.453 33.990 32.500 0.061 0.000 1.412 407 K HN -0.008 nan 8.250 nan 0.000 0.492 408 P HA -0.233 nan 4.420 nan 0.000 0.215 408 P C 1.157 178.429 177.300 -0.046 0.000 1.157 408 P CA 1.119 64.202 63.100 -0.028 0.000 0.874 408 P CB 0.331 32.014 31.700 -0.028 0.000 0.790 409 Q N -0.628 119.155 119.800 -0.029 0.000 2.297 409 Q HA -0.053 4.287 4.340 0.000 0.000 0.208 409 Q C 0.344 176.285 176.000 -0.098 0.000 0.981 409 Q CA 0.736 56.462 55.803 -0.128 0.000 0.876 409 Q CB -0.764 27.953 28.738 -0.034 0.000 0.921 409 Q HN 0.161 nan 8.270 nan 0.000 0.446 410 V N 2.121 122.074 119.914 0.065 0.000 2.397 410 V HA -0.001 4.119 4.120 0.000 0.000 0.262 410 V C 1.294 177.410 176.094 0.037 0.000 1.047 410 V CA 0.185 62.560 62.300 0.125 0.000 1.003 410 V CB 0.957 32.865 31.823 0.142 0.000 1.037 410 V HN 0.105 nan 8.190 nan 0.000 0.480 411 R N 4.872 125.393 120.500 0.035 0.000 2.128 411 R HA 0.189 4.529 4.340 0.000 0.000 0.211 411 R C 0.168 176.501 176.300 0.056 0.000 1.067 411 R CA 0.824 56.912 56.100 -0.019 0.000 1.010 411 R CB 0.381 30.686 30.300 0.009 0.000 0.922 411 R HN 0.510 nan 8.270 nan 0.000 0.457 412 V N 1.651 121.657 119.914 0.153 0.000 2.604 412 V HA 0.409 4.529 4.120 0.000 0.000 0.305 412 V C -1.195 174.993 176.094 0.156 0.000 1.043 412 V CA -1.110 61.302 62.300 0.186 0.000 0.888 412 V CB 1.742 33.678 31.823 0.187 0.000 0.995 412 V HN 0.096 nan 8.190 nan 0.000 0.429 413 L N 5.839 127.140 121.223 0.130 0.000 2.319 413 L HA 0.646 4.986 4.340 0.000 0.000 0.281 413 L C -0.990 175.891 176.870 0.018 0.000 1.005 413 L CA 0.084 54.975 54.840 0.085 0.000 0.828 413 L CB 1.194 43.310 42.059 0.094 0.000 1.227 413 L HN 0.578 nan 8.230 nan 0.000 0.415 414 L N 6.120 127.360 121.223 0.030 0.000 2.307 414 L HA 0.615 4.955 4.340 0.000 0.000 0.282 414 L C -0.754 175.981 176.870 -0.224 0.000 1.051 414 L CA -0.336 54.497 54.840 -0.012 0.000 0.804 414 L CB 1.441 43.599 42.059 0.165 0.000 1.197 414 L HN 0.633 nan 8.230 nan 0.000 0.431 415 L N 2.547 123.562 121.223 -0.347 0.000 2.415 415 L HA 0.571 4.911 4.340 0.000 0.000 0.256 415 L C -1.389 175.165 176.870 -0.528 0.000 1.010 415 L CA -0.951 53.579 54.840 -0.517 0.000 0.826 415 L CB 2.475 44.355 42.059 -0.297 0.000 1.405 415 L HN 0.538 nan 8.230 nan 0.000 0.410 416 D N 0.684 120.764 120.400 -0.533 0.000 2.457 416 D HA 0.566 5.206 4.640 0.000 0.000 0.240 416 D C -1.108 175.104 176.300 -0.147 0.000 1.041 416 D CA -0.598 53.253 54.000 -0.248 0.000 0.861 416 D CB 2.678 43.418 40.800 -0.099 0.000 1.394 416 D HN 0.156 nan 8.370 nan 0.000 0.473 417 V N 1.221 121.088 119.914 -0.078 0.000 2.445 417 V HA 0.210 4.330 4.120 0.000 0.000 0.283 417 V C -0.259 175.819 176.094 -0.026 0.000 1.014 417 V CA -0.863 61.403 62.300 -0.056 0.000 0.852 417 V CB 1.554 33.337 31.823 -0.067 0.000 1.021 417 V HN 0.517 nan 8.190 nan 0.000 0.435 418 V N 6.577 126.487 119.914 -0.007 0.000 2.364 418 V HA 0.504 4.624 4.120 0.000 0.000 0.272 418 V C 0.386 176.475 176.094 -0.007 0.000 1.036 418 V CA -0.261 62.041 62.300 0.003 0.000 0.880 418 V CB 1.118 32.956 31.823 0.024 0.000 0.991 418 V HN 0.792 nan 8.190 nan 0.000 0.460 419 I N 2.038 122.595 120.570 -0.021 0.000 3.660 419 I HA 1.094 5.265 4.170 0.000 0.000 0.285 419 I C 0.485 176.575 176.117 -0.046 0.000 1.266 419 I CA -0.645 60.633 61.300 -0.037 0.000 0.987 419 I CB 1.722 39.689 38.000 -0.055 0.000 1.417 419 I HN 0.824 nan 8.210 nan 0.000 0.590 420 G N -0.193 108.552 108.800 -0.091 0.000 2.440 420 G HA2 -0.111 3.849 3.960 0.000 0.000 0.684 420 G HA3 -0.111 3.849 3.960 0.000 0.000 0.684 420 G C -0.415 174.431 174.900 -0.090 0.000 1.309 420 G CA -0.311 44.712 45.100 -0.128 0.000 0.931 420 G HN 0.685 nan 8.290 nan 0.000 0.612 421 F N 0.877 120.823 119.950 -0.006 0.000 2.101 421 F HA -0.192 4.335 4.527 0.000 0.000 0.298 421 F C 2.823 178.619 175.800 -0.007 0.000 1.076 421 F CA 3.305 61.302 58.000 -0.006 0.000 1.248 421 F CB -0.412 38.584 39.000 -0.007 0.000 0.999 421 F HN 0.731 nan 8.300 nan 0.000 0.488 422 G N -1.623 107.282 108.800 0.174 0.000 2.838 422 G HA2 0.367 4.327 3.960 0.000 0.000 0.210 422 G HA3 0.367 4.327 3.960 0.000 0.000 0.210 422 G C 0.691 175.623 174.900 0.052 0.000 1.153 422 G CA 0.437 45.593 45.100 0.093 0.000 0.778 422 G HN 0.533 nan 8.290 nan 0.000 0.539 423 A N 0.161 123.003 122.820 0.038 0.000 2.259 423 A HA 0.621 4.941 4.320 0.000 0.000 0.278 423 A C 0.835 178.432 177.584 0.021 0.000 1.107 423 A CA -0.172 51.880 52.037 0.025 0.000 0.828 423 A CB -0.091 18.917 19.000 0.013 0.000 1.111 423 A HN 0.163 nan 8.150 nan 0.000 0.498 424 T N 0.521 115.087 114.554 0.020 0.000 2.856 424 T HA 0.262 4.612 4.350 0.000 0.000 0.329 424 T C 1.601 176.302 174.700 0.003 0.000 1.094 424 T CA 0.475 62.584 62.100 0.015 0.000 1.112 424 T CB 0.531 69.407 68.868 0.014 0.000 1.009 424 T HN 0.977 nan 8.240 nan 0.000 0.550 425 A N 0.971 123.793 122.820 0.004 0.000 2.066 425 A HA 0.075 4.395 4.320 0.000 0.000 0.218 425 A C 1.141 178.718 177.584 -0.012 0.000 1.157 425 A CA 1.114 53.148 52.037 -0.004 0.000 0.670 425 A CB -0.049 18.952 19.000 0.002 0.000 0.804 425 A HN 0.802 nan 8.150 nan 0.000 0.453 426 D N -2.890 117.505 120.400 -0.008 0.000 3.250 426 D HA 0.229 4.870 4.640 0.000 0.000 0.252 426 D C -2.274 174.021 176.300 -0.009 0.000 1.342 426 D CA -0.988 53.005 54.000 -0.011 0.000 0.807 426 D CB 0.394 41.189 40.800 -0.008 0.000 1.449 426 D HN -0.078 nan 8.370 nan 0.000 0.610 427 P HA -0.204 nan 4.420 nan 0.000 0.215 427 P C 1.421 178.711 177.300 -0.017 0.000 1.163 427 P CA 2.280 65.372 63.100 -0.014 0.000 0.894 427 P CB 0.258 31.945 31.700 -0.022 0.000 0.791 428 A N -0.070 122.736 122.820 -0.023 0.000 1.884 428 A HA -0.283 4.037 4.320 0.000 0.000 0.219 428 A C 2.375 179.957 177.584 -0.004 0.000 1.197 428 A CA 2.942 54.964 52.037 -0.024 0.000 0.637 428 A CB -1.769 17.214 19.000 -0.027 0.000 0.827 428 A HN 0.230 nan 8.150 nan 0.000 0.450 429 A N 0.049 122.871 122.820 0.002 0.000 1.873 429 A HA -0.196 4.124 4.320 0.000 0.000 0.218 429 A C 2.574 180.173 177.584 0.026 0.000 1.193 429 A CA 3.115 55.161 52.037 0.015 0.000 0.629 429 A CB -1.204 17.802 19.000 0.010 0.000 0.826 429 A HN 1.204 nan 8.150 nan 0.000 0.447 430 S N -0.268 115.444 115.700 0.020 0.000 2.383 430 S HA -0.030 4.440 4.470 0.000 0.000 0.227 430 S C 1.924 176.548 174.600 0.040 0.000 1.026 430 S CA 1.284 59.500 58.200 0.026 0.000 0.981 430 S CB -0.704 62.506 63.200 0.017 0.000 0.818 430 S HN 0.434 nan 8.310 nan 0.000 0.472 431 L N 1.029 122.270 121.223 0.029 0.000 2.017 431 L HA -0.068 4.272 4.340 0.000 0.000 0.208 431 L C 2.759 179.694 176.870 0.109 0.000 1.073 431 L CA 1.148 56.010 54.840 0.037 0.000 0.745 431 L CB -0.709 41.337 42.059 -0.022 0.000 0.894 431 L HN 0.253 nan 8.230 nan 0.000 0.432 432 V N -1.078 118.898 119.914 0.103 0.000 2.287 432 V HA -0.334 3.786 4.120 0.000 0.000 0.248 432 V C 2.691 178.929 176.094 0.240 0.000 1.053 432 V CA 2.088 64.516 62.300 0.213 0.000 1.027 432 V CB -0.339 31.568 31.823 0.140 0.000 0.646 432 V HN 0.420 nan 8.190 nan 0.000 0.447 433 S N -0.576 115.201 115.700 0.129 0.000 2.359 433 S HA -0.203 4.268 4.470 0.000 0.000 0.224 433 S C 2.131 176.780 174.600 0.080 0.000 1.035 433 S CA 1.684 59.934 58.200 0.083 0.000 1.018 433 S CB -0.360 62.870 63.200 0.051 0.000 0.876 433 S HN 0.639 nan 8.310 nan 0.000 0.448 434 A N 1.359 124.239 122.820 0.099 0.000 1.930 434 A HA -0.079 4.241 4.320 0.000 0.000 0.217 434 A C 2.004 179.667 177.584 0.132 0.000 1.175 434 A CA 1.310 53.400 52.037 0.088 0.000 0.627 434 A CB -1.128 17.921 19.000 0.081 0.000 0.815 434 A HN 0.911 nan 8.150 nan 0.000 0.443 435 W N 0.866 122.159 121.300 -0.012 0.000 2.355 435 W HA -0.247 4.413 4.660 0.000 0.000 0.309 435 W C 1.878 178.391 176.519 -0.009 0.000 1.206 435 W CA 1.871 59.210 57.345 -0.011 0.000 1.284 435 W CB -0.427 29.027 29.460 -0.010 0.000 1.145 435 W HN 0.496 nan 8.180 nan 0.000 0.502 436 Q N 0.684 120.367 119.800 -0.196 0.000 2.084 436 Q HA -0.219 4.121 4.340 0.000 0.000 0.202 436 Q C 2.283 178.130 176.000 -0.256 0.000 0.978 436 Q CA 1.891 57.484 55.803 -0.350 0.000 0.844 436 Q CB -0.357 28.304 28.738 -0.129 0.000 0.898 436 Q HN 0.340 nan 8.270 nan 0.000 0.426 437 K N 0.532 120.854 120.400 -0.130 0.000 2.032 437 K HA -0.172 4.148 4.320 0.000 0.000 0.209 437 K C 2.182 178.706 176.600 -0.127 0.000 1.048 437 K CA 1.259 57.487 56.287 -0.097 0.000 0.927 437 K CB -0.254 32.220 32.500 -0.042 0.000 0.712 437 K HN 0.166 nan 8.250 nan 0.000 0.441 438 A N 1.136 123.876 122.820 -0.132 0.000 1.865 438 A HA -0.221 4.099 4.320 0.000 0.000 0.217 438 A C 2.478 179.930 177.584 -0.220 0.000 1.191 438 A CA 1.794 53.752 52.037 -0.131 0.000 0.623 438 A CB -1.127 17.832 19.000 -0.067 0.000 0.826 438 A HN 0.463 nan 8.150 nan 0.000 0.444 439 C N -0.905 118.152 119.300 -0.404 0.000 2.413 439 C HA 0.040 4.500 4.460 0.000 0.000 0.277 439 C C 3.217 178.046 174.990 -0.269 0.000 1.265 439 C CA 0.721 59.476 59.018 -0.439 0.000 1.752 439 C CB -1.455 25.842 27.740 -0.739 0.000 1.998 439 C HN 0.696 nan 8.230 nan 0.000 0.489 440 A N -0.097 122.585 122.820 -0.231 0.000 2.172 440 A HA 0.229 4.549 4.320 0.000 0.000 0.216 440 A C 2.116 179.634 177.584 -0.111 0.000 1.154 440 A CA 1.696 53.643 52.037 -0.150 0.000 0.701 440 A CB -0.391 18.535 19.000 -0.124 0.000 0.789 440 A HN 0.610 nan 8.150 nan 0.000 0.465 441 A N -1.126 121.627 122.820 -0.112 0.000 2.220 441 A HA 0.251 4.571 4.320 0.000 0.000 0.211 441 A C 1.066 178.604 177.584 -0.077 0.000 1.176 441 A CA -0.282 51.707 52.037 -0.079 0.000 0.834 441 A CB 0.129 19.090 19.000 -0.065 0.000 0.868 441 A HN 0.278 nan 8.150 nan 0.000 0.488 442 R N -0.219 120.221 120.500 -0.101 0.000 2.459 442 R HA 0.467 4.807 4.340 0.000 0.000 0.281 442 R C -0.787 175.465 176.300 -0.081 0.000 1.050 442 R CA -0.661 55.383 56.100 -0.093 0.000 1.055 442 R CB 0.540 30.766 30.300 -0.123 0.000 1.045 442 R HN 0.195 nan 8.270 nan 0.000 0.495 443 L N 1.863 123.047 121.223 -0.065 0.000 2.453 443 L HA 0.038 4.378 4.340 0.000 0.000 0.261 443 L C 1.596 178.432 176.870 -0.057 0.000 1.179 443 L CA 0.579 55.388 54.840 -0.052 0.000 0.813 443 L CB 0.486 42.521 42.059 -0.040 0.000 1.110 443 L HN 0.545 nan 8.230 nan 0.000 0.466 444 D N 0.436 120.810 120.400 -0.043 0.000 2.221 444 D HA -0.169 4.471 4.640 0.000 0.000 0.204 444 D C 1.141 177.424 176.300 -0.030 0.000 0.982 444 D CA 1.365 55.344 54.000 -0.035 0.000 0.857 444 D CB 0.027 40.816 40.800 -0.019 0.000 0.934 444 D HN 0.645 nan 8.370 nan 0.000 0.475 445 N N 0.572 119.255 118.700 -0.029 0.000 2.494 445 N HA -0.123 4.618 4.740 0.000 0.000 0.182 445 N C 0.336 175.821 175.510 -0.043 0.000 1.076 445 N CA 0.468 53.504 53.050 -0.023 0.000 0.908 445 N CB 0.152 38.628 38.487 -0.018 0.000 0.967 445 N HN 0.140 nan 8.380 nan 0.000 0.449 446 Q N 1.352 121.113 119.800 -0.066 0.000 2.773 446 Q HA 0.367 4.707 4.340 0.000 0.000 0.373 446 Q C -2.433 173.482 176.000 -0.142 0.000 0.940 446 Q CA -1.409 54.338 55.803 -0.094 0.000 1.015 446 Q CB 1.705 30.397 28.738 -0.076 0.000 1.349 446 Q HN 0.384 nan 8.270 nan 0.000 0.413 447 P HA 0.211 nan 4.420 nan 0.000 0.274 447 P C -0.538 176.501 177.300 -0.434 0.000 1.246 447 P CA -0.656 62.257 63.100 -0.312 0.000 0.795 447 P CB 1.272 32.767 31.700 -0.343 0.000 1.006 448 L N 2.226 123.238 121.223 -0.351 0.000 2.343 448 L HA 0.425 4.765 4.340 0.000 0.000 0.278 448 L C -1.334 175.575 176.870 0.065 0.000 0.996 448 L CA -0.827 53.915 54.840 -0.162 0.000 0.831 448 L CB 0.447 42.510 42.059 0.007 0.000 1.232 448 L HN 0.143 nan 8.230 nan 0.000 0.413 449 Y N 3.854 124.314 120.300 0.266 0.000 2.320 449 Y HA 0.729 5.279 4.550 0.000 0.000 0.334 449 Y C 0.571 176.535 175.900 0.106 0.000 1.055 449 Y CA -0.734 57.508 58.100 0.237 0.000 1.143 449 Y CB 1.323 39.848 38.460 0.110 0.000 1.193 449 Y HN 0.716 nan 8.280 nan 0.000 0.477 450 A N 4.738 127.552 122.820 -0.011 0.000 2.305 450 A HA 0.847 5.167 4.320 0.000 0.000 0.322 450 A C -0.752 176.695 177.584 -0.229 0.000 1.187 450 A CA -0.666 51.161 52.037 -0.350 0.000 0.825 450 A CB 0.393 18.682 19.000 -1.185 0.000 1.164 450 A HN 0.772 nan 8.150 nan 0.000 0.498 451 I N 1.490 121.962 120.570 -0.162 0.000 2.499 451 I HA 0.584 4.754 4.170 0.000 0.000 0.288 451 I C 0.119 176.155 176.117 -0.134 0.000 1.048 451 I CA -0.308 60.924 61.300 -0.114 0.000 1.062 451 I CB 2.085 40.063 38.000 -0.037 0.000 1.238 451 I HN 0.730 nan 8.210 nan 0.000 0.426 452 A N 3.666 126.404 122.820 -0.136 0.000 2.401 452 A HA 0.896 5.216 4.320 0.000 0.000 0.310 452 A C -0.369 177.166 177.584 -0.083 0.000 1.075 452 A CA -0.588 51.367 52.037 -0.135 0.000 0.746 452 A CB 1.697 20.596 19.000 -0.168 0.000 1.277 452 A HN 0.660 nan 8.150 nan 0.000 0.425 453 T N -0.942 113.573 114.554 -0.064 0.000 2.829 453 T HA 0.664 5.014 4.350 0.000 0.000 0.280 453 T C -0.685 173.996 174.700 -0.032 0.000 0.999 453 T CA -0.635 61.451 62.100 -0.023 0.000 0.983 453 T CB 1.245 70.132 68.868 0.031 0.000 0.968 453 T HN 0.621 nan 8.240 nan 0.000 0.446 454 V N 3.089 122.987 119.914 -0.027 0.000 2.417 454 V HA 0.507 4.627 4.120 0.000 0.000 0.291 454 V C 0.228 176.315 176.094 -0.012 0.000 1.024 454 V CA -0.645 61.638 62.300 -0.028 0.000 0.861 454 V CB 1.781 33.582 31.823 -0.037 0.000 0.985 454 V HN 1.126 nan 8.190 nan 0.000 0.436 455 T N 4.112 118.662 114.554 -0.006 0.000 2.756 455 T HA 0.771 5.121 4.350 0.000 0.000 0.290 455 T C 0.281 174.976 174.700 -0.009 0.000 0.985 455 T CA 0.169 62.270 62.100 0.002 0.000 0.955 455 T CB 1.058 69.937 68.868 0.019 0.000 0.930 455 T HN 1.296 nan 8.240 nan 0.000 0.451 456 G N 2.184 110.977 108.800 -0.013 0.000 2.361 456 G HA2 0.407 4.367 3.960 0.000 0.000 0.305 456 G HA3 0.407 4.367 3.960 0.000 0.000 0.305 456 G C -0.596 174.287 174.900 -0.029 0.000 1.367 456 G CA -0.426 44.659 45.100 -0.024 0.000 0.951 456 G HN 0.819 nan 8.290 nan 0.000 0.615 457 T N -2.281 112.249 114.554 -0.040 0.000 2.949 457 T HA 0.639 4.989 4.350 0.000 0.000 0.287 457 T C 0.998 175.669 174.700 -0.049 0.000 1.034 457 T CA 0.320 62.397 62.100 -0.038 0.000 1.018 457 T CB 2.282 71.131 68.868 -0.032 0.000 1.135 457 T HN 0.651 nan 8.240 nan 0.000 0.532 458 E N 0.141 120.318 120.200 -0.039 0.000 2.153 458 E HA -0.121 4.229 4.350 0.000 0.000 0.194 458 E C 1.889 178.460 176.600 -0.049 0.000 0.988 458 E CA 1.208 57.585 56.400 -0.039 0.000 0.811 458 E CB -0.066 29.617 29.700 -0.028 0.000 0.746 458 E HN 0.484 nan 8.360 nan 0.000 0.466 459 R N 1.120 121.587 120.500 -0.054 0.000 2.240 459 R HA 0.091 4.431 4.340 0.000 0.000 0.203 459 R C 0.029 176.256 176.300 -0.122 0.000 1.011 459 R CA 0.211 56.272 56.100 -0.065 0.000 1.007 459 R CB -0.697 29.578 30.300 -0.042 0.000 0.911 459 R HN 0.221 nan 8.270 nan 0.000 0.468 460 D N 1.564 121.874 120.400 -0.150 0.000 2.406 460 D HA -0.024 4.616 4.640 0.000 0.000 0.234 460 D C -1.397 174.768 176.300 -0.225 0.000 1.196 460 D CA -1.099 52.751 54.000 -0.250 0.000 0.881 460 D CB 0.557 41.239 40.800 -0.197 0.000 1.205 460 D HN -0.121 nan 8.370 nan 0.000 0.453 461 P HA -0.157 nan 4.420 nan 0.000 0.216 461 P C 0.948 178.181 177.300 -0.112 0.000 1.153 461 P CA 1.626 64.615 63.100 -0.185 0.000 0.858 461 P CB 0.263 31.847 31.700 -0.193 0.000 0.789 462 Q N -2.038 117.697 119.800 -0.108 0.000 2.369 462 Q HA 0.055 4.395 4.340 0.000 0.000 0.206 462 Q C 0.450 176.413 176.000 -0.062 0.000 0.963 462 Q CA 0.346 56.106 55.803 -0.070 0.000 0.894 462 Q CB -0.920 27.782 28.738 -0.061 0.000 0.965 462 Q HN 0.170 nan 8.270 nan 0.000 0.475 463 C N 0.844 120.100 119.300 -0.074 0.000 1.470 463 C HA -0.192 4.268 4.460 0.000 0.000 0.220 463 C C 1.681 176.642 174.990 -0.049 0.000 0.693 463 C CA 0.120 59.102 59.018 -0.059 0.000 3.299 463 C CB -0.789 26.923 27.740 -0.046 0.000 1.904 463 C HN 0.785 nan 8.230 nan 0.000 0.274 464 R N 3.813 124.284 120.500 -0.048 0.000 2.115 464 R HA -0.188 4.152 4.340 0.000 0.000 0.239 464 R C 2.305 178.584 176.300 -0.035 0.000 1.133 464 R CA 2.972 59.047 56.100 -0.041 0.000 0.935 464 R CB -0.395 29.883 30.300 -0.036 0.000 0.853 464 R HN 1.240 nan 8.270 nan 0.000 0.433 465 S N 0.042 115.724 115.700 -0.031 0.000 2.383 465 S HA -0.272 4.198 4.470 0.000 0.000 0.229 465 S C 2.065 176.649 174.600 -0.027 0.000 1.030 465 S CA 1.525 59.709 58.200 -0.027 0.000 1.002 465 S CB -0.510 62.676 63.200 -0.024 0.000 0.829 465 S HN 0.568 nan 8.310 nan 0.000 0.467 466 Q N 0.515 120.298 119.800 -0.027 0.000 2.050 466 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 466 Q C 2.353 178.337 176.000 -0.026 0.000 0.980 466 Q CA 1.532 57.321 55.803 -0.024 0.000 0.840 466 Q CB -0.199 28.524 28.738 -0.025 0.000 0.898 466 Q HN 0.572 nan 8.270 nan 0.000 0.424 467 Q N 0.288 120.069 119.800 -0.031 0.000 2.084 467 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 467 Q C 2.207 178.184 176.000 -0.038 0.000 0.978 467 Q CA 1.207 56.989 55.803 -0.034 0.000 0.844 467 Q CB -0.283 28.431 28.738 -0.039 0.000 0.898 467 Q HN 0.522 nan 8.270 nan 0.000 0.426 468 I N 0.681 121.229 120.570 -0.038 0.000 2.286 468 I HA -0.266 3.904 4.170 0.000 0.000 0.248 468 I C 2.357 178.452 176.117 -0.036 0.000 1.115 468 I CA 0.959 62.234 61.300 -0.042 0.000 1.392 468 I CB -0.452 37.526 38.000 -0.037 0.000 1.065 468 I HN 0.069 nan 8.210 nan 0.000 0.418 469 A N 0.662 123.466 122.820 -0.027 0.000 1.858 469 A HA -0.205 4.116 4.320 0.000 0.000 0.216 469 A C 2.395 179.970 177.584 -0.015 0.000 1.190 469 A CA 2.489 54.514 52.037 -0.019 0.000 0.617 469 A CB -1.157 17.835 19.000 -0.015 0.000 0.827 469 A HN 0.364 nan 8.150 nan 0.000 0.443 470 T N 0.598 115.143 114.554 -0.015 0.000 2.720 470 T HA -0.124 4.226 4.350 0.000 0.000 0.268 470 T C 1.806 176.499 174.700 -0.011 0.000 1.037 470 T CA 1.572 63.668 62.100 -0.006 0.000 1.144 470 T CB -0.416 68.448 68.868 -0.007 0.000 0.864 470 T HN 0.353 nan 8.240 nan 0.000 0.444 471 L N 0.540 121.741 121.223 -0.037 0.000 2.027 471 L HA -0.059 4.281 4.340 0.000 0.000 0.206 471 L C 2.963 179.793 176.870 -0.066 0.000 1.074 471 L CA 1.155 55.951 54.840 -0.073 0.000 0.745 471 L CB -0.440 41.559 42.059 -0.101 0.000 0.898 471 L HN 0.139 nan 8.230 nan 0.000 0.433 472 E N 0.081 120.254 120.200 -0.045 0.000 2.072 472 E HA -0.204 4.146 4.350 0.000 0.000 0.191 472 E C 1.778 178.380 176.600 0.004 0.000 0.985 472 E CA 1.068 57.451 56.400 -0.029 0.000 0.801 472 E CB -0.246 29.438 29.700 -0.026 0.000 0.750 472 E HN 0.456 nan 8.360 nan 0.000 0.452 473 D N 0.590 120.997 120.400 0.012 0.000 2.182 473 D HA -0.139 4.501 4.640 0.000 0.000 0.201 473 D C 1.404 177.743 176.300 0.066 0.000 0.986 473 D CA 1.197 55.216 54.000 0.032 0.000 0.847 473 D CB -0.067 40.749 40.800 0.026 0.000 0.942 473 D HN 0.131 nan 8.370 nan 0.000 0.467 474 A N -0.625 122.248 122.820 0.088 0.000 2.307 474 A HA 0.458 4.778 4.320 0.000 0.000 0.218 474 A C 1.677 179.435 177.584 0.291 0.000 1.228 474 A CA 0.862 53.014 52.037 0.191 0.000 0.857 474 A CB -0.082 19.064 19.000 0.243 0.000 0.897 474 A HN 0.223 nan 8.150 nan 0.000 0.495 475 G N -0.738 108.158 108.800 0.161 0.000 2.157 475 G HA2 -0.216 3.744 3.960 0.000 0.000 0.248 475 G HA3 -0.216 3.744 3.960 0.000 0.000 0.248 475 G C 0.109 175.052 174.900 0.071 0.000 0.979 475 G CA 0.207 45.414 45.100 0.178 0.000 0.650 475 G HN 0.463 nan 8.290 nan 0.000 0.529 476 I N 1.680 122.176 120.570 -0.123 0.000 2.441 476 I HA 0.483 4.653 4.170 0.000 0.000 0.287 476 I C 1.076 177.087 176.117 -0.177 0.000 1.049 476 I CA -0.125 60.970 61.300 -0.341 0.000 1.381 476 I CB 1.460 39.154 38.000 -0.509 0.000 1.409 476 I HN 0.285 nan 8.210 nan 0.000 0.523 477 A N 7.234 129.962 122.820 -0.153 0.000 2.354 477 A HA 0.482 4.802 4.320 0.000 0.000 0.281 477 A C -0.284 177.239 177.584 -0.101 0.000 1.174 477 A CA -0.308 51.671 52.037 -0.097 0.000 0.828 477 A CB 0.154 19.109 19.000 -0.074 0.000 1.099 477 A HN 0.488 nan 8.150 nan 0.000 0.516 478 V N 4.650 124.515 119.914 -0.081 0.000 2.370 478 V HA 0.494 4.614 4.120 0.000 0.000 0.283 478 V C 0.219 176.281 176.094 -0.053 0.000 1.023 478 V CA -0.347 61.910 62.300 -0.072 0.000 0.857 478 V CB 1.058 32.841 31.823 -0.067 0.000 0.985 478 V HN 0.872 nan 8.190 nan 0.000 0.443 479 V N 2.044 121.931 119.914 -0.044 0.000 2.864 479 V HA 0.623 4.743 4.120 0.000 0.000 0.314 479 V C 0.931 177.012 176.094 -0.022 0.000 1.073 479 V CA 0.066 62.346 62.300 -0.033 0.000 0.956 479 V CB 1.855 33.660 31.823 -0.028 0.000 1.023 479 V HN 0.806 nan 8.190 nan 0.000 0.435 480 S N 0.737 116.425 115.700 -0.020 0.000 2.561 480 S HA 0.180 4.650 4.470 0.000 0.000 0.225 480 S C 0.687 175.287 174.600 -0.001 0.000 0.977 480 S CA 0.474 58.666 58.200 -0.013 0.000 0.926 480 S CB -0.687 62.503 63.200 -0.016 0.000 0.769 480 S HN 2.016 nan 8.310 nan 0.000 0.533 481 S N -0.797 114.907 115.700 0.006 0.000 2.547 481 S HA 0.526 4.996 4.470 0.000 0.000 0.270 481 S C 0.258 174.882 174.600 0.040 0.000 1.150 481 S CA -0.933 57.280 58.200 0.021 0.000 0.850 481 S CB 0.528 63.738 63.200 0.016 0.000 1.118 481 S HN 0.121 nan 8.310 nan 0.000 0.461 482 L N 0.566 121.822 121.223 0.056 0.000 2.083 482 L HA 0.040 4.380 4.340 0.000 0.000 0.209 482 L C -0.924 176.001 176.870 0.090 0.000 1.083 482 L CA 1.205 56.092 54.840 0.078 0.000 0.752 482 L CB -1.447 40.651 42.059 0.065 0.000 0.899 482 L HN 0.520 nan 8.230 nan 0.000 0.433 483 P HA -0.201 nan 4.420 nan 0.000 0.216 483 P C 1.421 178.791 177.300 0.116 0.000 1.153 483 P CA 1.295 64.477 63.100 0.138 0.000 0.848 483 P CB 0.120 31.882 31.700 0.103 0.000 0.787 484 E N -0.303 119.924 120.200 0.044 0.000 2.072 484 E HA -0.163 4.187 4.350 0.000 0.000 0.191 484 E C 1.932 178.540 176.600 0.014 0.000 0.985 484 E CA 1.146 57.545 56.400 -0.001 0.000 0.801 484 E CB -0.588 29.098 29.700 -0.024 0.000 0.750 484 E HN 0.010 nan 8.360 nan 0.000 0.452 485 A N 0.669 123.512 122.820 0.039 0.000 1.865 485 A HA -0.239 4.081 4.320 0.000 0.000 0.217 485 A C 2.513 180.143 177.584 0.076 0.000 1.191 485 A CA 2.727 54.793 52.037 0.048 0.000 0.623 485 A CB -1.462 17.579 19.000 0.069 0.000 0.826 485 A HN 0.550 nan 8.150 nan 0.000 0.444 486 T N -2.189 112.442 114.554 0.128 0.000 2.867 486 T HA -0.092 4.258 4.350 0.000 0.000 0.268 486 T C 1.723 176.533 174.700 0.183 0.000 1.057 486 T CA 1.429 63.637 62.100 0.181 0.000 1.136 486 T CB -0.389 68.612 68.868 0.222 0.000 0.874 486 T HN 0.147 nan 8.240 nan 0.000 0.466 487 L N 0.398 121.662 121.223 0.069 0.000 2.093 487 L HA 0.250 4.590 4.340 0.000 0.000 0.208 487 L C 2.276 179.093 176.870 -0.088 0.000 1.085 487 L CA 1.234 55.960 54.840 -0.190 0.000 0.755 487 L CB -0.933 40.973 42.059 -0.255 0.000 0.904 487 L HN 0.299 nan 8.230 nan 0.000 0.435 488 L N -0.505 120.692 121.223 -0.045 0.000 2.093 488 L HA -0.016 4.325 4.340 0.000 0.000 0.208 488 L C 2.484 179.340 176.870 -0.024 0.000 1.085 488 L CA 1.915 56.729 54.840 -0.043 0.000 0.755 488 L CB -1.012 41.022 42.059 -0.041 0.000 0.904 488 L HN 0.230 nan 8.230 nan 0.000 0.435 489 A N -0.241 122.585 122.820 0.009 0.000 1.883 489 A HA -0.167 4.153 4.320 0.000 0.000 0.217 489 A C 2.418 179.993 177.584 -0.013 0.000 1.186 489 A CA 1.990 54.043 52.037 0.027 0.000 0.624 489 A CB -1.214 17.820 19.000 0.057 0.000 0.822 489 A HN 0.568 nan 8.150 nan 0.000 0.444 490 A N -0.776 122.027 122.820 -0.027 0.000 2.066 490 A HA 0.325 4.645 4.320 0.000 0.000 0.218 490 A C 2.322 179.820 177.584 -0.142 0.000 1.157 490 A CA 1.623 53.612 52.037 -0.080 0.000 0.670 490 A CB -0.637 18.361 19.000 -0.004 0.000 0.804 490 A HN 0.980 nan 8.150 nan 0.000 0.453 491 A N -0.456 122.317 122.820 -0.078 0.000 1.975 491 A HA 0.209 4.529 4.320 0.000 0.000 0.215 491 A C 1.794 179.332 177.584 -0.076 0.000 1.170 491 A CA 0.767 52.777 52.037 -0.045 0.000 0.656 491 A CB -0.349 18.644 19.000 -0.012 0.000 0.821 491 A HN 0.421 nan 8.150 nan 0.000 0.449 492 L N 0.266 121.445 121.223 -0.074 0.000 2.599 492 L HA 0.131 4.471 4.340 0.000 0.000 0.230 492 L C 0.924 177.804 176.870 0.016 0.000 1.141 492 L CA 0.303 55.118 54.840 -0.042 0.000 0.877 492 L CB -0.297 41.742 42.059 -0.034 0.000 1.009 492 L HN 0.618 nan 8.230 nan 0.000 0.447 493 I N -5.282 115.223 120.570 -0.109 0.000 3.517 493 I HA 0.217 4.387 4.170 0.000 0.000 0.346 493 I C 0.962 176.988 176.117 -0.152 0.000 1.510 493 I CA -0.291 60.963 61.300 -0.075 0.000 1.090 493 I CB -0.154 37.836 38.000 -0.016 0.000 1.506 493 I HN 0.021 nan 8.210 nan 0.000 0.477 494 H N 2.325 121.441 119.070 0.076 0.000 2.356 494 H HA 0.436 4.992 4.556 0.000 0.000 0.306 494 H C -0.920 174.437 175.328 0.049 0.000 1.142 494 H CA 1.285 57.369 56.048 0.060 0.000 1.673 494 H CB -0.788 29.003 29.762 0.049 0.000 1.505 494 H HN 0.341 nan 8.280 nan 0.000 0.638 495 P HA 0.171 nan 4.420 nan 0.000 0.241 495 P C -0.133 177.235 177.300 0.113 0.000 0.784 495 P CA 0.124 63.328 63.100 0.173 0.000 1.233 495 P CB 2.069 33.837 31.700 0.115 0.000 0.830 504 T N 1.902 116.352 114.554 -0.174 0.000 2.870 504 T HA 0.254 4.604 4.350 0.000 0.000 0.300 504 T C -2.301 172.148 174.700 -0.418 0.000 0.989 504 T CA -1.075 60.894 62.100 -0.220 0.000 1.139 504 T CB 0.024 68.843 68.868 -0.082 0.000 0.920 504 T HN 0.387 nan 8.240 nan 0.000 0.537 505 P HA 0.046 nan 4.420 nan 0.000 0.262 505 P C 0.856 178.042 177.300 -0.190 0.000 1.182 505 P CA -0.083 62.868 63.100 -0.247 0.000 0.761 505 P CB 0.503 32.109 31.700 -0.158 0.000 0.795 506 S N 3.124 118.735 115.700 -0.148 0.000 2.419 506 S HA -0.211 4.259 4.470 0.000 0.000 0.235 506 S C 1.643 176.207 174.600 -0.061 0.000 1.019 506 S CA 1.031 59.185 58.200 -0.075 0.000 0.982 506 S CB -1.042 62.142 63.200 -0.025 0.000 0.789 506 S HN 0.387 nan 8.310 nan 0.000 0.490 507 L N 1.092 122.268 121.223 -0.078 0.000 2.201 507 L HA 0.242 4.582 4.340 0.000 0.000 0.212 507 L C 1.972 178.774 176.870 -0.113 0.000 1.105 507 L CA 1.405 56.199 54.840 -0.078 0.000 0.775 507 L CB -0.485 41.524 42.059 -0.084 0.000 0.913 507 L HN 0.358 nan 8.230 nan 0.000 0.440 508 L N -1.089 120.034 121.223 -0.166 0.000 2.554 508 L HA 0.029 4.369 4.340 0.000 0.000 0.226 508 L C 2.142 179.015 176.870 0.005 0.000 1.137 508 L CA 0.123 54.821 54.840 -0.236 0.000 0.863 508 L CB -0.469 41.388 42.059 -0.336 0.000 0.985 508 L HN 0.293 nan 8.230 nan 0.000 0.451 509 E N 0.330 120.524 120.200 -0.010 0.000 2.057 509 E HA 0.115 4.465 4.350 0.000 0.000 0.190 509 E C 0.218 176.838 176.600 0.032 0.000 0.969 509 E CA 0.605 57.019 56.400 0.022 0.000 0.812 509 E CB 0.357 30.058 29.700 0.001 0.000 0.777 509 E HN 0.419 nan 8.360 nan 0.000 0.455 510 N N -0.066 118.644 118.700 0.017 0.000 2.367 510 N HA 0.258 4.998 4.740 0.000 0.000 0.278 510 N C -1.285 174.232 175.510 0.013 0.000 1.117 510 N CA -0.308 52.754 53.050 0.021 0.000 0.867 510 N CB 2.973 41.471 38.487 0.019 0.000 1.649 510 N HN -0.204 nan 8.380 nan 0.000 0.479 511 V N 0.706 120.631 119.914 0.018 0.000 2.495 511 V HA 0.820 4.940 4.120 0.000 0.000 0.298 511 V C -0.424 175.683 176.094 0.021 0.000 1.031 511 V CA -0.685 61.624 62.300 0.015 0.000 0.871 511 V CB 1.471 33.302 31.823 0.013 0.000 0.988 511 V HN 0.847 nan 8.190 nan 0.000 0.432 512 A N 4.793 127.628 122.820 0.026 0.000 2.357 512 A HA 0.819 5.140 4.320 0.000 0.000 0.295 512 A C -0.954 176.656 177.584 0.044 0.000 1.121 512 A CA -0.471 51.586 52.037 0.034 0.000 0.742 512 A CB 1.421 20.442 19.000 0.035 0.000 1.181 512 A HN 0.627 nan 8.150 nan 0.000 0.454 513 V N 3.732 123.673 119.914 0.046 0.000 2.472 513 V HA 0.398 4.518 4.120 0.000 0.000 0.290 513 V C -0.041 176.096 176.094 0.071 0.000 1.037 513 V CA -0.293 62.041 62.300 0.057 0.000 0.908 513 V CB 1.518 33.368 31.823 0.045 0.000 0.985 513 V HN 0.752 nan 8.190 nan 0.000 0.454 514 I N 4.104 124.727 120.570 0.088 0.000 2.306 514 I HA 0.295 4.465 4.170 0.000 0.000 0.288 514 I C 0.022 176.174 176.117 0.058 0.000 1.036 514 I CA -0.204 61.143 61.300 0.079 0.000 1.221 514 I CB 1.058 39.133 38.000 0.125 0.000 1.385 514 I HN 0.645 nan 8.210 nan 0.000 0.472 515 N N 6.187 124.927 118.700 0.067 0.000 2.455 515 N HA 0.413 5.153 4.740 0.000 0.000 0.280 515 N C 0.344 175.848 175.510 -0.010 0.000 1.055 515 N CA -0.138 52.966 53.050 0.089 0.000 0.961 515 N CB 1.201 39.810 38.487 0.204 0.000 1.121 515 N HN 0.495 nan 8.380 nan 0.000 0.476 516 I N 1.304 121.824 120.570 -0.083 0.000 3.366 516 I HA 0.276 4.446 4.170 0.000 0.000 0.267 516 I C 1.865 177.869 176.117 -0.188 0.000 1.149 516 I CA -0.042 61.091 61.300 -0.279 0.000 1.436 516 I CB -0.558 37.146 38.000 -0.494 0.000 1.379 516 I HN 0.620 nan 8.210 nan 0.000 0.460 517 G N 2.263 111.001 108.800 -0.104 0.000 2.632 517 G HA2 0.061 4.021 3.960 0.000 0.000 0.183 517 G HA3 0.061 4.021 3.960 0.000 0.000 0.183 517 G C 0.511 175.423 174.900 0.019 0.000 1.592 517 G CA -0.115 44.958 45.100 -0.046 0.000 0.880 517 G HN 0.040 nan 8.290 nan 0.000 0.399 518 L N 0.813 121.948 121.223 -0.146 0.000 2.453 518 L HA 0.210 4.550 4.340 0.000 0.000 0.272 518 L C 2.010 178.752 176.870 -0.213 0.000 1.182 518 L CA -0.250 54.423 54.840 -0.278 0.000 0.858 518 L CB 0.920 42.556 42.059 -0.706 0.000 1.120 518 L HN 0.413 nan 8.230 nan 0.000 0.474 519 R N 1.366 121.731 120.500 -0.226 0.000 2.115 519 R HA -0.140 4.200 4.340 0.000 0.000 0.226 519 R C 2.286 178.413 176.300 -0.287 0.000 1.100 519 R CA 1.369 57.200 56.100 -0.449 0.000 0.980 519 R CB 0.032 30.059 30.300 -0.454 0.000 0.875 519 R HN 0.908 nan 8.270 nan 0.000 0.445 520 S N -0.087 115.468 115.700 -0.240 0.000 2.383 520 S HA -0.177 4.293 4.470 0.000 0.000 0.229 520 S C 1.877 176.502 174.600 0.043 0.000 1.030 520 S CA 1.191 59.319 58.200 -0.121 0.000 1.002 520 S CB -0.788 62.335 63.200 -0.129 0.000 0.829 520 S HN 0.422 nan 8.310 nan 0.000 0.467 521 F N 1.961 121.828 119.950 -0.138 0.000 2.186 521 F HA 0.003 4.530 4.527 0.000 0.000 0.299 521 F C 3.021 178.772 175.800 -0.081 0.000 1.090 521 F CA 0.383 58.304 58.000 -0.132 0.000 1.307 521 F CB -0.379 38.512 39.000 -0.181 0.000 1.019 521 F HN 0.370 nan 8.300 nan 0.000 0.489 522 A N 0.582 123.467 122.820 0.108 0.000 1.897 522 A HA -0.096 4.224 4.320 0.000 0.000 0.215 522 A C 2.108 179.701 177.584 0.015 0.000 1.181 522 A CA 0.972 53.043 52.037 0.057 0.000 0.620 522 A CB -0.944 18.074 19.000 0.031 0.000 0.821 522 A HN 0.351 nan 8.150 nan 0.000 0.443 523 L N -0.570 120.640 121.223 -0.022 0.000 2.083 523 L HA -0.212 4.128 4.340 0.000 0.000 0.209 523 L C 2.631 179.508 176.870 0.012 0.000 1.083 523 L CA 1.775 56.605 54.840 -0.017 0.000 0.752 523 L CB -0.491 41.546 42.059 -0.036 0.000 0.899 523 L HN 0.619 nan 8.230 nan 0.000 0.433 524 E N 0.790 121.013 120.200 0.038 0.000 2.058 524 E HA -0.240 4.110 4.350 0.000 0.000 0.194 524 E C 2.317 178.930 176.600 0.021 0.000 0.997 524 E CA 1.282 57.706 56.400 0.040 0.000 0.801 524 E CB -0.041 29.700 29.700 0.068 0.000 0.746 524 E HN 0.478 nan 8.360 nan 0.000 0.450 525 L N 0.377 121.614 121.223 0.022 0.000 2.109 525 L HA -0.165 4.175 4.340 0.000 0.000 0.207 525 L C 2.810 179.689 176.870 0.015 0.000 1.086 525 L CA 1.018 55.867 54.840 0.015 0.000 0.760 525 L CB -0.340 41.732 42.059 0.022 0.000 0.910 525 L HN 0.194 nan 8.230 nan 0.000 0.437 526 Q N 0.430 120.239 119.800 0.016 0.000 2.084 526 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 526 Q C 2.386 178.391 176.000 0.008 0.000 0.978 526 Q CA 2.222 58.032 55.803 0.012 0.000 0.844 526 Q CB -0.245 28.497 28.738 0.007 0.000 0.898 526 Q HN 0.541 nan 8.270 nan 0.000 0.426 527 S N -0.865 114.839 115.700 0.007 0.000 2.399 527 S HA -0.041 4.429 4.470 0.000 0.000 0.231 527 S C 1.750 176.353 174.600 0.005 0.000 1.022 527 S CA 0.877 59.080 58.200 0.005 0.000 0.983 527 S CB -0.399 62.804 63.200 0.006 0.000 0.803 527 S HN 0.412 nan 8.310 nan 0.000 0.480 528 A N 0.447 123.271 122.820 0.006 0.000 2.302 528 A HA 0.576 4.896 4.320 0.000 0.000 0.219 528 A C 1.126 178.714 177.584 0.005 0.000 1.243 528 A CA 0.366 52.406 52.037 0.004 0.000 0.856 528 A CB -0.759 18.242 19.000 0.003 0.000 0.893 528 A HN 0.722 nan 8.150 nan 0.000 0.491 529 S N -0.332 115.372 115.700 0.007 0.000 3.587 529 S HA -0.116 4.354 4.470 0.000 0.000 0.337 529 S C 0.068 174.674 174.600 0.010 0.000 1.119 529 S CA 1.040 59.245 58.200 0.008 0.000 0.976 529 S CB -1.078 62.126 63.200 0.006 0.000 0.922 529 S HN 0.650 nan 8.310 nan 0.000 0.503 530 K N 1.009 121.416 120.400 0.011 0.000 2.143 530 K HA 0.458 4.778 4.320 0.000 0.000 0.272 530 K C -2.612 173.999 176.600 0.018 0.000 1.001 530 K CA -2.488 53.807 56.287 0.014 0.000 0.915 530 K CB 0.174 32.681 32.500 0.012 0.000 1.047 530 K HN 0.009 nan 8.250 nan 0.000 0.458 531 P HA 0.043 nan 4.420 nan 0.000 0.263 531 P C -0.895 176.424 177.300 0.031 0.000 1.195 531 P CA -0.002 63.113 63.100 0.025 0.000 0.762 531 P CB 0.508 32.223 31.700 0.025 0.000 0.799 532 V N 3.117 123.052 119.914 0.035 0.000 3.204 532 V HA 0.554 4.674 4.120 0.000 0.000 0.298 532 V C -0.629 175.496 176.094 0.052 0.000 1.328 532 V CA -0.806 61.523 62.300 0.047 0.000 1.035 532 V CB 2.499 34.353 31.823 0.052 0.000 1.095 532 V HN 0.129 nan 8.190 nan 0.000 0.442 533 V N 1.024 120.977 119.914 0.065 0.000 2.777 533 V HA 0.457 4.578 4.120 0.000 0.000 0.306 533 V C -1.320 174.836 176.094 0.103 0.000 1.112 533 V CA -0.531 61.808 62.300 0.064 0.000 0.917 533 V CB 2.035 33.875 31.823 0.028 0.000 1.018 533 V HN 1.072 nan 8.190 nan 0.000 0.426 534 H N 3.688 122.768 119.070 0.018 0.000 2.594 534 H HA 0.386 4.942 4.556 0.000 0.000 0.304 534 H C -1.039 174.330 175.328 0.068 0.000 1.068 534 H CA -0.220 55.849 56.048 0.035 0.000 1.308 534 H CB 0.721 30.497 29.762 0.024 0.000 1.409 534 H HN 0.697 nan 8.280 nan 0.000 0.460 535 Y N 6.177 126.152 120.300 -0.542 0.000 2.595 535 Y HA 0.152 4.703 4.550 0.000 0.000 0.347 535 Y C -0.260 175.281 175.900 -0.599 0.000 1.025 535 Y CA -1.030 56.786 58.100 -0.473 0.000 1.295 535 Y CB 0.300 38.479 38.460 -0.467 0.000 1.147 535 Y HN 0.646 nan 8.280 nan 0.000 0.515 536 Q N 5.808 125.512 119.800 -0.161 0.000 2.262 536 Q HA -0.024 4.316 4.340 0.000 0.000 0.272 536 Q C -1.152 174.919 176.000 0.117 0.000 1.076 536 Q CA 0.405 56.163 55.803 -0.075 0.000 0.905 536 Q CB 0.785 29.554 28.738 0.052 0.000 1.182 536 Q HN 0.695 nan 8.270 nan 0.000 0.390 537 W N 1.990 123.176 121.300 -0.190 0.000 2.962 537 W HA 0.546 5.206 4.660 0.000 0.000 0.341 537 W C -1.093 175.310 176.519 -0.192 0.000 1.155 537 W CA -0.569 56.632 57.345 -0.241 0.000 1.165 537 W CB 2.145 31.293 29.460 -0.520 0.000 1.435 537 W HN 0.518 nan 8.180 nan 0.000 0.546 538 S N 3.097 118.026 115.700 -1.284 0.000 2.547 538 S HA 0.411 4.881 4.470 0.000 0.000 0.270 538 S C -2.425 171.075 174.600 -1.833 0.000 1.150 538 S CA -1.034 56.428 58.200 -1.230 0.000 0.850 538 S CB 1.689 64.553 63.200 -0.559 0.000 1.118 538 S HN 0.302 nan 8.310 nan 0.000 0.461 539 P HA 0.121 nan 4.420 nan 0.000 0.225 539 P C -0.358 176.635 177.300 -0.511 0.000 1.156 539 P CA 0.498 62.991 63.100 -1.012 0.000 0.787 539 P CB 0.122 31.426 31.700 -0.660 0.000 0.802 540 V N 0.539 120.202 119.914 -0.418 0.000 2.394 540 V HA 0.513 4.634 4.120 0.000 0.000 0.282 540 V C 0.572 176.523 176.094 -0.240 0.000 1.031 540 V CA -1.498 60.657 62.300 -0.242 0.000 0.881 540 V CB 0.727 32.452 31.823 -0.163 0.000 0.982 540 V HN 0.041 nan 8.190 nan 0.000 0.451 541 A N 3.860 126.580 122.820 -0.167 0.000 2.520 541 A HA 0.428 4.748 4.320 0.000 0.000 0.235 541 A C 1.694 179.209 177.584 -0.114 0.000 1.065 541 A CA 0.491 52.447 52.037 -0.134 0.000 0.764 541 A CB 0.080 19.031 19.000 -0.081 0.000 1.002 541 A HN 1.199 nan 8.150 nan 0.000 0.502 542 G N 1.397 110.136 108.800 -0.101 0.000 2.462 542 G HA2 -0.049 3.911 3.960 0.000 0.000 0.220 542 G HA3 -0.049 3.911 3.960 0.000 0.000 0.220 542 G C 1.235 176.100 174.900 -0.058 0.000 1.121 542 G CA 1.217 46.270 45.100 -0.080 0.000 0.758 542 G HN 1.238 nan 8.290 nan 0.000 0.559 543 G N -0.399 108.371 108.800 -0.049 0.000 2.650 543 G HA2 -0.081 3.879 3.960 0.000 0.000 0.214 543 G HA3 -0.081 3.879 3.960 0.000 0.000 0.214 543 G C 0.794 175.674 174.900 -0.034 0.000 1.136 543 G CA -0.144 44.934 45.100 -0.036 0.000 0.789 543 G HN 0.363 nan 8.290 nan 0.000 0.536 544 N N 0.443 119.118 118.700 -0.042 0.000 2.645 544 N HA 0.193 4.934 4.740 0.000 0.000 0.233 544 N C 1.137 176.624 175.510 -0.038 0.000 1.058 544 N CA -0.246 52.782 53.050 -0.036 0.000 0.942 544 N CB 1.307 39.771 38.487 -0.038 0.000 1.210 544 N HN -0.001 nan 8.380 nan 0.000 0.512 545 K N 2.746 123.128 120.400 -0.030 0.000 2.026 545 K HA -0.045 4.275 4.320 0.000 0.000 0.208 545 K C 1.394 177.979 176.600 -0.025 0.000 1.048 545 K CA 1.527 57.797 56.287 -0.028 0.000 0.929 545 K CB 0.258 32.744 32.500 -0.022 0.000 0.713 545 K HN 0.367 nan 8.250 nan 0.000 0.439 546 K N 0.010 120.398 120.400 -0.020 0.000 2.002 546 K HA -0.151 4.169 4.320 0.000 0.000 0.209 546 K C 2.017 178.606 176.600 -0.018 0.000 1.048 546 K CA 1.388 57.665 56.287 -0.016 0.000 0.930 546 K CB -0.356 32.137 32.500 -0.012 0.000 0.714 546 K HN 0.065 nan 8.250 nan 0.000 0.438 547 L N 1.355 122.565 121.223 -0.021 0.000 2.079 547 L HA -0.155 4.185 4.340 0.000 0.000 0.210 547 L C 2.217 179.068 176.870 -0.032 0.000 1.081 547 L CA 1.713 56.539 54.840 -0.023 0.000 0.752 547 L CB -0.665 41.379 42.059 -0.026 0.000 0.896 547 L HN 0.162 nan 8.230 nan 0.000 0.433 548 A N -0.531 122.265 122.820 -0.041 0.000 1.898 548 A HA -0.196 4.124 4.320 0.000 0.000 0.216 548 A C 2.378 179.941 177.584 -0.035 0.000 1.181 548 A CA 1.628 53.635 52.037 -0.050 0.000 0.620 548 A CB -0.455 18.511 19.000 -0.056 0.000 0.819 548 A HN 0.499 nan 8.150 nan 0.000 0.442 549 R N -1.069 119.415 120.500 -0.026 0.000 2.073 549 R HA -0.098 4.242 4.340 0.000 0.000 0.234 549 R C 2.093 178.385 176.300 -0.013 0.000 1.134 549 R CA 1.358 57.447 56.100 -0.018 0.000 0.952 549 R CB -0.683 29.609 30.300 -0.014 0.000 0.850 549 R HN 0.448 nan 8.270 nan 0.000 0.433 550 L N 1.159 122.375 121.223 -0.012 0.000 2.013 550 L HA -0.174 4.166 4.340 0.000 0.000 0.212 550 L C 2.057 178.925 176.870 -0.003 0.000 1.073 550 L CA 1.578 56.415 54.840 -0.005 0.000 0.753 550 L CB -0.610 41.447 42.059 -0.003 0.000 0.890 550 L HN 0.152 nan 8.230 nan 0.000 0.432 551 L N -0.337 120.881 121.223 -0.009 0.000 2.027 551 L HA -0.184 4.156 4.340 0.000 0.000 0.206 551 L C 2.523 179.390 176.870 -0.005 0.000 1.074 551 L CA 2.038 56.875 54.840 -0.005 0.000 0.745 551 L CB -0.877 41.168 42.059 -0.023 0.000 0.898 551 L HN 0.515 nan 8.230 nan 0.000 0.433 552 E N -0.577 119.615 120.200 -0.013 0.000 2.118 552 E HA -0.319 4.031 4.350 0.000 0.000 0.195 552 E C 2.408 179.006 176.600 -0.003 0.000 0.992 552 E CA 1.425 57.819 56.400 -0.011 0.000 0.804 552 E CB -0.101 29.589 29.700 -0.016 0.000 0.741 552 E HN 0.475 nan 8.360 nan 0.000 0.458 553 R N 0.181 120.679 120.500 -0.002 0.000 2.073 553 R HA -0.043 4.297 4.340 0.000 0.000 0.229 553 R C 2.378 178.683 176.300 0.007 0.000 1.120 553 R CA 0.854 56.956 56.100 0.002 0.000 0.967 553 R CB -0.133 30.167 30.300 0.001 0.000 0.862 553 R HN 0.215 nan 8.270 nan 0.000 0.436 554 L N 0.663 121.892 121.223 0.010 0.000 2.456 554 L HA -0.070 4.270 4.340 0.000 0.000 0.224 554 L C 0.777 177.659 176.870 0.020 0.000 1.148 554 L CA 0.783 55.632 54.840 0.016 0.000 0.825 554 L CB -0.154 41.917 42.059 0.019 0.000 0.937 554 L HN 0.327 nan 8.230 nan 0.000 0.450 555 Q N 0.000 119.811 119.800 0.018 0.000 2.315 555 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 555 Q CA 0.000 55.816 55.803 0.022 0.000 1.022 555 Q CB 0.000 28.752 28.738 0.024 0.000 1.108 555 Q HN 0.000 nan 8.270 nan 0.000 0.481