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 1v2i_1_B DATA FIRST_RESID 142 DATA SEQUENCE ITHDVGIKPL NPDDFWRcTS GLPSLMKTPK IRLMPGPGLL AMPTTVDGcI DATA SEQUENCE RTPSLVINDL IYAYTSNLIT RGcQDIGKSY QVLQIGIITV NSDLVPDLNP DATA SEQUENCE RISHTFNIND NRKScSLALL NTDVYQLcST PKVDERSDYA SPGIEDIVLD DATA SEQUENCE IVNYDGSIST TRFKNNNISF DQPYAALYPS VGPGIYYKGK IIFLGYGGLE DATA SEQUENCE HPINENVIcN TTGcPGKTQR DcNQASHSPW FSDRRMVNSI IVVDKGLNSI DATA SEQUENCE PKLKVWTISM RQNYWGSEGR LLLLGNKIYI YTRSTSWHSK LQLGIIDITD DATA SEQUENCE YSDIRIKWTW HNVLSRPGNN EcPWGHScPD GcITGVYTDA YPLNPTGSIV DATA SEQUENCE SSVILDSQKS RVNPVITYST ATERVNELAI LNRTLSAGYT TTScITHYNK DATA SEQUENCE GYcFHIVEIN HKSLNTLQPM LFKTEIPKSc S 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 142 I HA 0.000 nan 4.170 nan 0.000 0.288 142 I C 0.000 176.210 176.117 0.156 0.000 1.063 142 I CA 0.000 61.384 61.300 0.139 0.000 1.566 142 I CB 0.000 38.080 38.000 0.134 0.000 1.214 143 T N -3.042 111.548 114.554 0.059 0.000 2.787 143 T HA 0.504 4.854 4.350 0.000 0.000 0.297 143 T C -0.265 174.440 174.700 0.009 0.000 1.221 143 T CA -0.651 61.413 62.100 -0.059 0.000 1.006 143 T CB 1.367 70.193 68.868 -0.070 0.000 1.328 143 T HN -0.003 nan 8.240 nan 0.000 0.509 144 H N 1.290 120.397 119.070 0.062 0.000 3.073 144 H HA 0.141 4.697 4.556 0.000 0.000 0.340 144 H C 0.166 175.528 175.328 0.057 0.000 1.054 144 H CA 0.503 56.592 56.048 0.068 0.000 1.372 144 H CB 0.135 29.937 29.762 0.066 0.000 1.314 144 H HN 0.596 nan 8.280 nan 0.000 0.603 145 D N 0.598 121.112 120.400 0.190 0.000 2.419 145 D HA -0.031 4.609 4.640 0.000 0.000 0.236 145 D C 0.455 176.834 176.300 0.132 0.000 1.165 145 D CA -0.173 53.904 54.000 0.128 0.000 0.882 145 D CB 0.891 41.740 40.800 0.083 0.000 1.201 145 D HN 0.235 nan 8.370 nan 0.000 0.443 146 V N 1.485 121.471 119.914 0.121 0.000 2.763 146 V HA 0.354 4.474 4.120 0.000 0.000 0.306 146 V C 1.402 177.476 176.094 -0.033 0.000 1.059 146 V CA 1.337 63.675 62.300 0.063 0.000 1.138 146 V CB 0.547 32.414 31.823 0.074 0.000 0.940 146 V HN 0.875 nan 8.190 nan 0.000 0.489 147 G N 5.325 113.966 108.800 -0.265 0.000 2.195 147 G HA2 -0.184 3.776 3.960 0.000 0.000 0.246 147 G HA3 -0.184 3.776 3.960 0.000 0.000 0.246 147 G C 0.009 174.829 174.900 -0.133 0.000 0.984 147 G CA 0.139 44.847 45.100 -0.654 0.000 0.633 147 G HN 0.801 nan 8.290 nan 0.000 0.525 148 I N 1.880 122.469 120.570 0.032 0.000 2.331 148 I HA 0.562 4.732 4.170 0.000 0.000 0.292 148 I C 0.511 176.634 176.117 0.010 0.000 0.998 148 I CA -0.192 61.132 61.300 0.040 0.000 1.267 148 I CB 1.054 39.044 38.000 -0.018 0.000 1.386 148 I HN 0.525 nan 8.210 nan 0.000 0.476 149 K N 7.345 127.743 120.400 -0.002 0.000 2.625 149 K HA 0.520 4.840 4.320 0.000 0.000 0.284 149 K C -3.362 173.258 176.600 0.034 0.000 0.984 149 K CA -1.418 54.892 56.287 0.038 0.000 0.865 149 K CB 2.080 34.628 32.500 0.080 0.000 1.468 149 K HN 0.081 nan 8.250 nan 0.000 0.407 150 P HA -0.012 nan 4.420 nan 0.000 0.266 150 P C -0.053 177.309 177.300 0.103 0.000 1.195 150 P CA -0.318 62.842 63.100 0.101 0.000 0.768 150 P CB 0.582 32.388 31.700 0.176 0.000 0.838 151 L N 3.192 124.443 121.223 0.045 0.000 2.500 151 L HA 0.075 4.415 4.340 0.000 0.000 0.272 151 L C 0.554 177.541 176.870 0.195 0.000 1.149 151 L CA -0.089 54.768 54.840 0.029 0.000 0.897 151 L CB -0.362 41.553 42.059 -0.240 0.000 1.178 151 L HN 0.331 nan 8.230 nan 0.000 0.473 152 N N 6.969 125.782 118.700 0.189 0.000 2.462 152 N HA 0.303 5.043 4.740 0.000 0.000 0.242 152 N C -2.027 173.640 175.510 0.262 0.000 1.010 152 N CA -2.331 50.844 53.050 0.209 0.000 0.939 152 N CB 1.466 40.064 38.487 0.185 0.000 1.127 152 N HN 0.293 nan 8.380 nan 0.000 0.509 153 P HA -0.152 nan 4.420 nan 0.000 0.216 153 P C 0.646 178.128 177.300 0.305 0.000 1.153 153 P CA 1.123 64.392 63.100 0.282 0.000 0.858 153 P CB 0.315 32.100 31.700 0.141 0.000 0.789 154 D N -0.587 119.961 120.400 0.247 0.000 2.133 154 D HA -0.190 4.451 4.640 0.000 0.000 0.192 154 D C 1.270 177.692 176.300 0.203 0.000 1.001 154 D CA 1.366 55.489 54.000 0.206 0.000 0.844 154 D CB -0.347 40.550 40.800 0.162 0.000 0.944 154 D HN 0.277 nan 8.370 nan 0.000 0.447 155 D N -0.820 119.710 120.400 0.217 0.000 2.323 155 D HA -0.047 4.593 4.640 0.000 0.000 0.218 155 D C 1.867 178.307 176.300 0.234 0.000 0.973 155 D CA -0.040 54.075 54.000 0.192 0.000 0.890 155 D CB -0.423 40.477 40.800 0.167 0.000 1.011 155 D HN 0.154 nan 8.370 nan 0.000 0.499 156 F N 0.954 121.006 119.950 0.171 0.000 2.134 156 F HA -0.088 4.439 4.527 0.000 0.000 0.299 156 F C 1.225 177.178 175.800 0.254 0.000 1.097 156 F CA 0.912 59.025 58.000 0.189 0.000 1.264 156 F CB -0.142 38.983 39.000 0.209 0.000 1.001 156 F HN -0.006 nan 8.300 nan 0.000 0.479 157 W N 4.758 126.004 121.300 -0.090 0.000 1.435 157 W HA 0.219 4.879 4.660 0.000 0.000 0.471 157 W C -0.364 176.069 176.519 -0.143 0.000 0.590 157 W CA -0.131 57.093 57.345 -0.201 0.000 2.419 157 W CB -0.483 28.982 29.460 0.008 0.000 1.251 157 W HN -0.003 nan 8.180 nan 0.000 0.338 158 R N 0.162 120.515 120.500 -0.244 0.000 2.799 158 R HA 0.520 4.860 4.340 0.000 0.000 0.270 158 R C -1.327 174.819 176.300 -0.257 0.000 1.010 158 R CA -0.622 55.357 56.100 -0.200 0.000 0.916 158 R CB 2.052 32.318 30.300 -0.058 0.000 1.228 158 R HN -0.063 nan 8.270 nan 0.000 0.469 159 c N 0.239 118.719 118.600 -0.200 0.000 2.797 159 c HA 0.316 4.886 4.570 0.000 0.000 0.306 159 c C 1.662 175.686 174.090 -0.109 0.000 1.207 159 c CA -0.633 55.589 56.329 -0.178 0.000 1.507 159 c CB 2.044 44.429 42.510 -0.209 0.000 2.028 159 c HN 1.013 nan 8.230 nan 0.000 0.475 160 T N -1.424 113.076 114.554 -0.089 0.000 2.896 160 T HA -0.029 4.322 4.350 0.000 0.000 0.263 160 T C 0.789 175.453 174.700 -0.060 0.000 1.050 160 T CA 0.909 62.973 62.100 -0.060 0.000 1.140 160 T CB -0.009 68.831 68.868 -0.047 0.000 0.877 160 T HN 0.613 nan 8.240 nan 0.000 0.457 161 S N 0.637 116.294 115.700 -0.072 0.000 2.667 161 S HA 0.596 5.066 4.470 0.000 0.000 0.304 161 S C 0.358 174.909 174.600 -0.082 0.000 1.135 161 S CA 0.156 58.316 58.200 -0.066 0.000 1.125 161 S CB -0.104 63.061 63.200 -0.058 0.000 0.996 161 S HN 1.109 nan 8.310 nan 0.000 0.474 162 G N 3.829 112.583 108.800 -0.076 0.000 2.587 162 G HA2 -0.088 3.872 3.960 0.000 0.000 0.212 162 G HA3 -0.088 3.872 3.960 0.000 0.000 0.212 162 G C -1.666 173.167 174.900 -0.112 0.000 1.327 162 G CA -0.504 44.545 45.100 -0.084 0.000 0.898 162 G HN 0.784 nan 8.290 nan 0.000 0.551 163 L N 1.295 122.440 121.223 -0.130 0.000 2.354 163 L HA 0.687 5.027 4.340 0.000 0.000 0.264 163 L C -1.900 174.805 176.870 -0.274 0.000 1.008 163 L CA -1.503 53.231 54.840 -0.176 0.000 0.819 163 L CB 1.527 43.522 42.059 -0.108 0.000 1.339 163 L HN 0.638 nan 8.230 nan 0.000 0.420 164 P HA 0.396 nan 4.420 nan 0.000 0.284 164 P C -0.964 175.994 177.300 -0.570 0.000 1.258 164 P CA -0.188 62.458 63.100 -0.756 0.000 0.824 164 P CB 1.999 32.833 31.700 -1.444 0.000 1.038 165 S N 1.218 116.667 115.700 -0.418 0.000 2.615 165 S HA 0.550 5.021 4.470 0.000 0.000 0.269 165 S C -0.889 173.767 174.600 0.094 0.000 1.161 165 S CA -0.925 57.284 58.200 0.015 0.000 0.817 165 S CB 0.487 63.701 63.200 0.024 0.000 1.131 165 S HN 0.232 nan 8.310 nan 0.000 0.467 166 L N 1.363 122.743 121.223 0.261 0.000 2.375 166 L HA 0.491 4.831 4.340 0.000 0.000 0.271 166 L C 0.196 177.116 176.870 0.083 0.000 1.107 166 L CA -0.621 54.345 54.840 0.209 0.000 0.806 166 L CB 0.770 42.977 42.059 0.245 0.000 1.146 166 L HN 0.606 nan 8.230 nan 0.000 0.447 167 M N 2.335 121.952 119.600 0.028 0.000 2.211 167 M HA 0.134 4.614 4.480 0.000 0.000 0.356 167 M C 0.949 177.259 176.300 0.017 0.000 1.216 167 M CA 0.021 55.322 55.300 0.002 0.000 1.134 167 M CB 1.222 33.804 32.600 -0.030 0.000 1.564 167 M HN 0.515 nan 8.290 nan 0.000 0.463 168 K N 1.258 121.669 120.400 0.018 0.000 2.186 168 K HA 0.010 4.331 4.320 0.000 0.000 0.202 168 K C 0.054 176.661 176.600 0.012 0.000 1.052 168 K CA 0.986 57.288 56.287 0.024 0.000 0.965 168 K CB 0.452 32.965 32.500 0.023 0.000 0.746 168 K HN 0.872 nan 8.250 nan 0.000 0.457 169 T N -0.451 114.103 114.554 0.001 0.000 2.894 169 T HA 0.425 4.775 4.350 0.000 0.000 0.309 169 T C -2.785 171.907 174.700 -0.014 0.000 1.208 169 T CA -1.724 60.373 62.100 -0.004 0.000 1.016 169 T CB 1.759 70.625 68.868 -0.003 0.000 1.192 169 T HN -0.084 nan 8.240 nan 0.000 0.491 170 P HA 0.310 nan 4.420 nan 0.000 0.276 170 P C -0.787 176.508 177.300 -0.008 0.000 1.252 170 P CA -0.761 62.334 63.100 -0.009 0.000 0.802 170 P CB 0.800 32.495 31.700 -0.009 0.000 1.035 171 K N 1.391 121.791 120.400 0.000 0.000 2.237 171 K HA 0.331 4.651 4.320 0.000 0.000 0.270 171 K C 0.787 177.392 176.600 0.009 0.000 1.015 171 K CA -0.818 55.474 56.287 0.008 0.000 0.949 171 K CB 0.155 32.663 32.500 0.012 0.000 0.976 171 K HN 0.481 nan 8.250 nan 0.000 0.472 172 I N -0.875 119.707 120.570 0.019 0.000 2.948 172 I HA -0.060 4.110 4.170 0.000 0.000 0.303 172 I C -0.414 175.726 176.117 0.039 0.000 1.224 172 I CA 0.052 61.370 61.300 0.030 0.000 1.442 172 I CB 0.193 38.253 38.000 0.100 0.000 1.328 172 I HN 0.531 nan 8.210 nan 0.000 0.578 173 R N 5.456 125.982 120.500 0.043 0.000 2.778 173 R HA 0.649 4.990 4.340 0.000 0.000 0.277 173 R C -0.939 175.407 176.300 0.077 0.000 0.977 173 R CA -1.138 54.991 56.100 0.049 0.000 0.950 173 R CB 1.862 32.186 30.300 0.040 0.000 1.165 173 R HN 0.598 nan 8.270 nan 0.000 0.474 174 L N 3.293 124.568 121.223 0.088 0.000 2.410 174 L HA 0.208 4.548 4.340 0.000 0.000 0.273 174 L C 0.303 177.241 176.870 0.113 0.000 1.152 174 L CA 0.277 55.198 54.840 0.135 0.000 0.855 174 L CB 0.361 42.525 42.059 0.174 0.000 1.129 174 L HN 0.422 nan 8.230 nan 0.000 0.463 175 M N 5.270 124.941 119.600 0.118 0.000 2.249 175 M HA 0.364 4.844 4.480 0.000 0.000 0.351 175 M C -2.029 174.312 176.300 0.068 0.000 1.180 175 M CA -1.650 53.700 55.300 0.084 0.000 1.127 175 M CB 0.831 33.478 32.600 0.079 0.000 1.546 175 M HN 0.371 nan 8.290 nan 0.000 0.461 176 P HA 0.718 nan 4.420 nan 0.000 0.279 176 P C -0.276 177.030 177.300 0.011 0.000 1.276 176 P CA -0.113 63.005 63.100 0.029 0.000 0.801 176 P CB 1.292 33.007 31.700 0.025 0.000 1.127 177 G N -0.153 108.646 108.800 -0.001 0.000 2.340 177 G HA2 0.181 4.141 3.960 0.000 0.000 0.527 177 G HA3 0.181 4.141 3.960 0.000 0.000 0.527 177 G C -3.081 171.804 174.900 -0.025 0.000 1.381 177 G CA -0.826 44.267 45.100 -0.012 0.000 1.001 177 G HN 0.677 nan 8.290 nan 0.000 0.626 178 P HA 0.570 nan 4.420 nan 0.000 0.274 178 P C 0.151 177.414 177.300 -0.061 0.000 1.237 178 P CA 0.203 63.277 63.100 -0.043 0.000 0.793 178 P CB 1.498 33.178 31.700 -0.034 0.000 0.977 179 G N 1.210 109.961 108.800 -0.083 0.000 2.626 179 G HA2 0.499 4.459 3.960 0.000 0.000 0.304 179 G HA3 0.499 4.459 3.960 0.000 0.000 0.304 179 G C -1.291 173.543 174.900 -0.110 0.000 1.385 179 G CA -0.567 44.463 45.100 -0.115 0.000 0.957 179 G HN 0.528 nan 8.290 nan 0.000 0.504 180 L N 3.824 124.969 121.223 -0.130 0.000 2.504 180 L HA 0.496 4.836 4.340 0.000 0.000 0.249 180 L C -0.729 176.057 176.870 -0.139 0.000 1.120 180 L CA -0.430 54.352 54.840 -0.098 0.000 0.997 180 L CB 0.151 42.177 42.059 -0.055 0.000 1.349 180 L HN 0.271 nan 8.230 nan 0.000 0.439 181 L N 2.271 123.413 121.223 -0.134 0.000 2.346 181 L HA 0.638 4.978 4.340 0.000 0.000 0.274 181 L C 0.542 177.428 176.870 0.026 0.000 1.007 181 L CA -0.799 53.959 54.840 -0.136 0.000 0.818 181 L CB 1.911 43.845 42.059 -0.208 0.000 1.284 181 L HN 0.418 nan 8.230 nan 0.000 0.424 182 A N 4.000 126.910 122.820 0.151 0.000 2.565 182 A HA 0.418 4.738 4.320 0.000 0.000 0.237 182 A C -0.137 177.490 177.584 0.072 0.000 1.053 182 A CA 0.539 52.643 52.037 0.111 0.000 0.755 182 A CB 0.033 19.118 19.000 0.141 0.000 0.980 182 A HN 0.740 nan 8.150 nan 0.000 0.506 183 M N 2.246 121.859 119.600 0.020 0.000 2.727 183 M HA 0.459 4.939 4.480 0.000 0.000 0.300 183 M C -2.448 173.840 176.300 -0.021 0.000 1.246 183 M CA -1.843 53.458 55.300 0.002 0.000 0.835 183 M CB 1.871 34.460 32.600 -0.018 0.000 1.755 183 M HN 0.398 nan 8.290 nan 0.000 0.473 184 P HA 0.272 nan 4.420 nan 0.000 0.276 184 P C -0.147 177.125 177.300 -0.046 0.000 1.252 184 P CA -0.379 62.701 63.100 -0.033 0.000 0.802 184 P CB 0.427 32.117 31.700 -0.016 0.000 1.035 185 T N -4.103 110.418 114.554 -0.055 0.000 3.215 185 T HA 0.287 4.637 4.350 0.000 0.000 0.271 185 T C 0.042 174.723 174.700 -0.032 0.000 1.012 185 T CA -0.313 61.757 62.100 -0.051 0.000 0.899 185 T CB -1.038 67.790 68.868 -0.067 0.000 1.089 185 T HN 0.524 nan 8.240 nan 0.000 0.552 186 T N -2.265 112.276 114.554 -0.022 0.000 2.916 186 T HA 0.510 4.860 4.350 0.000 0.000 0.298 186 T C 0.902 175.594 174.700 -0.014 0.000 1.031 186 T CA -0.575 61.519 62.100 -0.010 0.000 0.993 186 T CB 1.796 70.669 68.868 0.007 0.000 1.045 186 T HN -0.165 nan 8.240 nan 0.000 0.454 187 V N 1.670 121.575 119.914 -0.014 0.000 2.453 187 V HA -0.128 3.992 4.120 0.000 0.000 0.252 187 V C 1.658 177.744 176.094 -0.015 0.000 1.068 187 V CA 2.700 64.987 62.300 -0.021 0.000 1.070 187 V CB -0.596 31.218 31.823 -0.015 0.000 0.664 187 V HN 1.038 nan 8.190 nan 0.000 0.461 188 D N -0.792 119.609 120.400 0.001 0.000 2.368 188 D HA 0.188 4.828 4.640 0.000 0.000 0.218 188 D C 0.838 177.149 176.300 0.019 0.000 1.112 188 D CA 0.371 54.378 54.000 0.012 0.000 0.834 188 D CB -0.401 40.410 40.800 0.018 0.000 0.953 188 D HN 0.390 nan 8.370 nan 0.000 0.505 189 G N -0.144 108.664 108.800 0.013 0.000 2.544 189 G HA2 0.336 4.296 3.960 0.000 0.000 0.242 189 G HA3 0.336 4.296 3.960 0.000 0.000 0.242 189 G C -0.569 174.348 174.900 0.029 0.000 1.247 189 G CA -0.394 44.721 45.100 0.024 0.000 0.840 189 G HN 0.389 nan 8.290 nan 0.000 0.578 190 c N 2.864 121.489 118.600 0.041 0.000 2.498 190 c HA 0.672 5.242 4.570 0.000 0.000 0.316 190 c C -0.527 173.587 174.090 0.040 0.000 1.209 190 c CA -1.052 55.304 56.329 0.044 0.000 1.518 190 c CB 0.300 42.837 42.510 0.046 0.000 2.147 190 c HN 0.548 nan 8.230 nan 0.000 0.483 191 I N 6.527 127.119 120.570 0.037 0.000 2.354 191 I HA 0.565 4.735 4.170 0.000 0.000 0.292 191 I C 0.099 176.209 176.117 -0.013 0.000 0.989 191 I CA -0.231 61.082 61.300 0.021 0.000 1.188 191 I CB 1.220 39.242 38.000 0.037 0.000 1.342 191 I HN 0.638 nan 8.210 nan 0.000 0.457 192 R N 2.721 123.192 120.500 -0.048 0.000 2.873 192 R HA 0.406 4.746 4.340 0.000 0.000 0.264 192 R C 0.208 176.375 176.300 -0.222 0.000 1.026 192 R CA -0.523 55.511 56.100 -0.110 0.000 1.002 192 R CB 0.893 31.156 30.300 -0.061 0.000 1.174 192 R HN 0.789 nan 8.270 nan 0.000 0.488 193 T N -1.145 113.173 114.554 -0.393 0.000 3.398 193 T HA -0.116 4.234 4.350 0.000 0.000 0.408 193 T C -1.958 172.441 174.700 -0.502 0.000 0.769 193 T CA -0.091 61.657 62.100 -0.587 0.000 2.018 193 T CB -1.580 67.139 68.868 -0.249 0.000 1.703 193 T HN 0.448 nan 8.240 nan 0.000 0.639 194 P HA 0.468 nan 4.420 nan 0.000 0.276 194 P C -0.213 177.011 177.300 -0.127 0.000 1.230 194 P CA -0.169 62.747 63.100 -0.306 0.000 0.776 194 P CB 1.389 33.056 31.700 -0.054 0.000 0.888 195 S N 2.704 118.314 115.700 -0.150 0.000 2.569 195 S HA 0.705 5.175 4.470 0.000 0.000 0.280 195 S C -1.093 173.600 174.600 0.156 0.000 1.111 195 S CA -0.856 57.393 58.200 0.082 0.000 0.887 195 S CB 1.597 64.847 63.200 0.083 0.000 1.095 195 S HN 0.387 nan 8.310 nan 0.000 0.476 196 L N 2.017 123.401 121.223 0.269 0.000 2.381 196 L HA 0.856 5.196 4.340 0.000 0.000 0.274 196 L C -1.235 175.782 176.870 0.244 0.000 0.988 196 L CA -0.603 54.422 54.840 0.309 0.000 0.824 196 L CB 1.744 43.963 42.059 0.267 0.000 1.263 196 L HN 0.795 nan 8.230 nan 0.000 0.410 197 V N 6.606 126.671 119.914 0.251 0.000 2.680 197 V HA 0.712 4.832 4.120 0.000 0.000 0.309 197 V C -0.728 175.507 176.094 0.236 0.000 1.052 197 V CA -0.435 61.995 62.300 0.217 0.000 0.908 197 V CB 1.996 33.929 31.823 0.184 0.000 1.001 197 V HN 0.742 nan 8.190 nan 0.000 0.431 198 I N 6.346 127.047 120.570 0.219 0.000 2.656 198 I HA 0.549 4.719 4.170 0.000 0.000 0.292 198 I C -0.796 175.456 176.117 0.225 0.000 1.144 198 I CA -0.615 60.834 61.300 0.249 0.000 1.038 198 I CB 2.329 40.460 38.000 0.219 0.000 1.244 198 I HN 0.823 nan 8.210 nan 0.000 0.420 199 N N 2.296 121.146 118.700 0.251 0.000 3.379 199 N HA 0.308 5.048 4.740 0.000 0.000 0.350 199 N C -0.055 175.612 175.510 0.261 0.000 1.553 199 N CA -0.640 52.529 53.050 0.198 0.000 0.712 199 N CB 0.380 38.939 38.487 0.121 0.000 1.880 199 N HN 0.349 nan 8.380 nan 0.000 0.648 200 D N -0.644 119.864 120.400 0.181 0.000 2.371 200 D HA 0.102 4.742 4.640 0.000 0.000 0.221 200 D C 1.163 177.563 176.300 0.165 0.000 0.986 200 D CA 0.738 54.859 54.000 0.203 0.000 0.899 200 D CB 0.265 41.138 40.800 0.122 0.000 0.902 200 D HN 0.429 nan 8.370 nan 0.000 0.530 201 L N -0.699 120.495 121.223 -0.049 0.000 2.600 201 L HA 0.283 4.624 4.340 0.000 0.000 0.213 201 L C 1.022 177.412 176.870 -0.800 0.000 1.045 201 L CA 0.143 54.781 54.840 -0.338 0.000 0.863 201 L CB 0.301 42.223 42.059 -0.229 0.000 1.189 201 L HN -0.106 nan 8.230 nan 0.000 0.484 202 I N -3.472 116.769 120.570 -0.548 0.000 3.354 202 I HA 0.518 4.688 4.170 0.000 0.000 0.316 202 I C -1.290 174.864 176.117 0.063 0.000 1.182 202 I CA -1.138 59.925 61.300 -0.395 0.000 0.942 202 I CB 2.119 39.879 38.000 -0.401 0.000 1.299 202 I HN -0.034 nan 8.210 nan 0.000 0.473 203 Y N 0.825 121.172 120.300 0.078 0.000 2.576 203 Y HA 0.961 5.511 4.550 0.000 0.000 0.346 203 Y C -1.085 174.875 175.900 0.099 0.000 1.018 203 Y CA -1.219 56.952 58.100 0.118 0.000 1.050 203 Y CB 1.586 40.103 38.460 0.095 0.000 1.280 203 Y HN 0.902 nan 8.280 nan 0.000 0.474 204 A N 2.352 125.286 122.820 0.189 0.000 2.449 204 A HA 0.692 5.012 4.320 0.000 0.000 0.302 204 A C -2.529 175.277 177.584 0.371 0.000 1.048 204 A CA -0.735 51.367 52.037 0.110 0.000 0.708 204 A CB 1.319 20.374 19.000 0.092 0.000 1.274 204 A HN 0.994 nan 8.150 nan 0.000 0.410 205 Y N 0.715 121.145 120.300 0.216 0.000 2.421 205 Y HA 0.713 5.263 4.550 0.000 0.000 0.339 205 Y C -0.357 175.633 175.900 0.150 0.000 0.996 205 Y CA -0.162 58.065 58.100 0.210 0.000 1.046 205 Y CB 2.197 40.814 38.460 0.261 0.000 1.226 205 Y HN 0.824 nan 8.280 nan 0.000 0.445 206 T N 3.968 118.221 114.554 -0.501 0.000 2.903 206 T HA 0.791 5.141 4.350 0.000 0.000 0.299 206 T C -1.558 172.822 174.700 -0.534 0.000 1.093 206 T CA -0.207 61.688 62.100 -0.342 0.000 1.002 206 T CB 0.925 69.737 68.868 -0.094 0.000 1.127 206 T HN 0.959 nan 8.240 nan 0.000 0.488 207 S N 3.097 118.615 115.700 -0.303 0.000 2.565 207 S HA 0.538 5.008 4.470 0.000 0.000 0.269 207 S C -1.469 173.084 174.600 -0.079 0.000 1.153 207 S CA -1.048 57.015 58.200 -0.229 0.000 0.835 207 S CB 1.593 64.666 63.200 -0.211 0.000 1.122 207 S HN 0.730 nan 8.310 nan 0.000 0.462 208 N N 0.875 119.540 118.700 -0.059 0.000 2.408 208 N HA 0.472 5.212 4.740 0.000 0.000 0.280 208 N C -1.690 173.838 175.510 0.031 0.000 1.002 208 N CA -0.466 52.586 53.050 0.002 0.000 0.907 208 N CB 1.277 39.757 38.487 -0.011 0.000 1.161 208 N HN 0.673 nan 8.380 nan 0.000 0.488 209 L N 5.646 126.923 121.223 0.090 0.000 2.298 209 L HA 0.580 4.920 4.340 0.000 0.000 0.284 209 L C -1.150 175.812 176.870 0.155 0.000 1.013 209 L CA -0.430 54.476 54.840 0.109 0.000 0.824 209 L CB 0.859 42.978 42.059 0.100 0.000 1.221 209 L HN 0.435 nan 8.230 nan 0.000 0.418 210 I N 4.602 125.234 120.570 0.103 0.000 2.354 210 I HA 0.257 4.427 4.170 0.000 0.000 0.292 210 I C 1.452 177.628 176.117 0.098 0.000 0.989 210 I CA -0.207 61.150 61.300 0.094 0.000 1.188 210 I CB 1.996 40.030 38.000 0.058 0.000 1.342 210 I HN 0.836 nan 8.210 nan 0.000 0.457 211 T N 3.045 117.671 114.554 0.121 0.000 2.759 211 T HA -0.179 4.171 4.350 0.000 0.000 0.269 211 T C 0.777 175.514 174.700 0.062 0.000 1.042 211 T CA 0.946 63.108 62.100 0.105 0.000 1.140 211 T CB -0.142 68.801 68.868 0.125 0.000 0.864 211 T HN 0.699 nan 8.240 nan 0.000 0.455 212 R N 0.117 120.648 120.500 0.052 0.000 2.510 212 R HA 0.595 4.935 4.340 0.000 0.000 0.294 212 R C -0.067 176.256 176.300 0.038 0.000 1.056 212 R CA -0.266 55.858 56.100 0.039 0.000 0.918 212 R CB 1.125 31.445 30.300 0.033 0.000 1.187 212 R HN 0.575 nan 8.270 nan 0.000 0.437 213 G N 0.958 109.781 108.800 0.038 0.000 2.690 213 G HA2 -0.210 3.750 3.960 0.000 0.000 0.686 213 G HA3 -0.210 3.750 3.960 0.000 0.000 0.686 213 G C 0.154 175.079 174.900 0.042 0.000 1.277 213 G CA -0.419 44.704 45.100 0.039 0.000 0.799 213 G HN 0.736 nan 8.290 nan 0.000 0.613 214 c N 0.321 118.947 118.600 0.043 0.000 2.791 214 c HA 0.328 4.899 4.570 0.000 0.000 0.270 214 c C 1.195 175.311 174.090 0.043 0.000 1.257 214 c CA 0.403 56.758 56.329 0.043 0.000 1.699 214 c CB -0.893 41.644 42.510 0.046 0.000 1.904 214 c HN 0.778 nan 8.230 nan 0.000 0.603 215 Q N 2.265 122.090 119.800 0.042 0.000 2.307 215 Q HA 0.149 4.489 4.340 0.000 0.000 0.261 215 Q C -0.215 175.810 176.000 0.040 0.000 1.051 215 Q CA 0.200 56.029 55.803 0.043 0.000 0.911 215 Q CB 0.219 28.981 28.738 0.041 0.000 1.227 215 Q HN 0.452 nan 8.270 nan 0.000 0.418 216 D N 4.213 124.639 120.400 0.044 0.000 2.426 216 D HA -0.075 4.565 4.640 0.000 0.000 0.261 216 D C 0.186 176.508 176.300 0.035 0.000 1.245 216 D CA 0.294 54.318 54.000 0.040 0.000 0.917 216 D CB 0.301 41.130 40.800 0.048 0.000 1.123 216 D HN 0.650 nan 8.370 nan 0.000 0.508 217 I N 0.926 121.512 120.570 0.026 0.000 3.736 217 I HA 0.450 4.620 4.170 0.000 0.000 0.338 217 I C 1.267 177.391 176.117 0.011 0.000 1.558 217 I CA -0.549 60.763 61.300 0.020 0.000 1.147 217 I CB -0.072 37.938 38.000 0.017 0.000 1.275 217 I HN 0.545 nan 8.210 nan 0.000 0.454 218 G N 1.741 110.550 108.800 0.014 0.000 2.175 218 G HA2 -0.285 3.675 3.960 0.000 0.000 0.265 218 G HA3 -0.285 3.675 3.960 0.000 0.000 0.265 218 G C 0.116 175.008 174.900 -0.013 0.000 0.979 218 G CA 0.371 45.475 45.100 0.007 0.000 0.663 218 G HN 0.579 nan 8.290 nan 0.000 0.533 219 K N -0.167 120.219 120.400 -0.024 0.000 2.501 219 K HA 0.641 4.961 4.320 0.000 0.000 0.252 219 K C -0.497 176.060 176.600 -0.071 0.000 0.934 219 K CA 0.014 56.262 56.287 -0.065 0.000 0.797 219 K CB 2.452 34.905 32.500 -0.078 0.000 1.270 219 K HN 0.805 nan 8.250 nan 0.000 0.431 220 S N 0.764 116.391 115.700 -0.122 0.000 2.597 220 S HA 0.421 4.891 4.470 0.000 0.000 0.274 220 S C -1.732 172.802 174.600 -0.111 0.000 1.132 220 S CA -0.998 57.159 58.200 -0.073 0.000 0.835 220 S CB 0.364 63.570 63.200 0.011 0.000 1.092 220 S HN 0.428 nan 8.310 nan 0.000 0.457 221 Y N 0.642 120.954 120.300 0.020 0.000 2.387 221 Y HA 0.722 5.272 4.550 0.000 0.000 0.330 221 Y C 0.384 176.307 175.900 0.040 0.000 1.133 221 Y CA -0.395 57.723 58.100 0.030 0.000 1.152 221 Y CB 1.567 40.035 38.460 0.013 0.000 1.215 221 Y HN 0.788 nan 8.280 nan 0.000 0.466 222 Q N 1.787 121.740 119.800 0.256 0.000 2.341 222 Q HA 0.582 4.922 4.340 0.000 0.000 0.268 222 Q C -1.928 174.230 176.000 0.264 0.000 1.013 222 Q CA -0.569 55.346 55.803 0.187 0.000 0.798 222 Q CB 1.484 30.286 28.738 0.107 0.000 1.253 222 Q HN 0.547 nan 8.270 nan 0.000 0.457 223 V N 5.267 125.277 119.914 0.160 0.000 2.357 223 V HA 0.444 4.564 4.120 0.000 0.000 0.284 223 V C -0.799 175.384 176.094 0.148 0.000 1.018 223 V CA -0.868 61.514 62.300 0.136 0.000 0.841 223 V CB 1.250 33.112 31.823 0.065 0.000 0.991 223 V HN 0.738 nan 8.190 nan 0.000 0.437 224 L N 5.620 126.979 121.223 0.227 0.000 2.296 224 L HA 0.585 4.925 4.340 0.000 0.000 0.286 224 L C -0.246 176.736 176.870 0.187 0.000 1.023 224 L CA 0.308 55.286 54.840 0.229 0.000 0.812 224 L CB 1.544 43.834 42.059 0.386 0.000 1.223 224 L HN 0.700 nan 8.230 nan 0.000 0.421 225 Q N 5.902 125.819 119.800 0.195 0.000 2.331 225 Q HA 0.628 4.968 4.340 0.000 0.000 0.267 225 Q C -1.255 174.778 176.000 0.055 0.000 1.006 225 Q CA -0.408 55.500 55.803 0.176 0.000 0.818 225 Q CB 2.570 31.500 28.738 0.319 0.000 1.276 225 Q HN 0.630 nan 8.270 nan 0.000 0.450 226 I N 1.028 121.563 120.570 -0.059 0.000 2.569 226 I HA 0.830 5.000 4.170 0.000 0.000 0.296 226 I C 0.320 176.226 176.117 -0.351 0.000 1.028 226 I CA -0.685 60.484 61.300 -0.219 0.000 1.082 226 I CB 2.188 40.188 38.000 -0.000 0.000 1.264 226 I HN 0.772 nan 8.210 nan 0.000 0.429 227 G N 5.127 113.506 108.800 -0.702 0.000 2.428 227 G HA2 0.595 4.555 3.960 0.000 0.000 0.305 227 G HA3 0.595 4.555 3.960 0.000 0.000 0.305 227 G C -1.645 173.158 174.900 -0.161 0.000 1.260 227 G CA -0.608 44.272 45.100 -0.367 0.000 0.853 227 G HN 0.739 nan 8.290 nan 0.000 0.480 228 I N -2.246 118.472 120.570 0.247 0.000 3.042 228 I HA 0.788 4.958 4.170 0.000 0.000 0.310 228 I C -1.059 175.347 176.117 0.482 0.000 1.117 228 I CA -1.534 59.985 61.300 0.365 0.000 1.003 228 I CB 2.396 40.511 38.000 0.192 0.000 1.228 228 I HN 0.409 nan 8.210 nan 0.000 0.443 229 I N 2.993 123.887 120.570 0.541 0.000 2.315 229 I HA 0.352 4.522 4.170 0.000 0.000 0.291 229 I C -0.025 176.175 176.117 0.138 0.000 1.006 229 I CA -0.139 61.288 61.300 0.212 0.000 1.265 229 I CB 1.664 39.666 38.000 0.002 0.000 1.387 229 I HN 0.739 nan 8.210 nan 0.000 0.475 230 T N 2.970 117.562 114.554 0.064 0.000 2.912 230 T HA 0.642 4.992 4.350 0.000 0.000 0.288 230 T C -0.434 174.227 174.700 -0.064 0.000 1.030 230 T CA -0.821 61.289 62.100 0.016 0.000 1.020 230 T CB 2.034 70.921 68.868 0.031 0.000 1.056 230 T HN 0.131 nan 8.240 nan 0.000 0.480 231 V N 3.170 123.017 119.914 -0.111 0.000 2.370 231 V HA 0.311 4.432 4.120 0.000 0.000 0.279 231 V C 1.186 177.223 176.094 -0.095 0.000 1.029 231 V CA -0.950 61.237 62.300 -0.189 0.000 0.870 231 V CB 0.775 32.405 31.823 -0.321 0.000 0.984 231 V HN 1.077 nan 8.190 nan 0.000 0.451 232 N N 2.434 121.083 118.700 -0.085 0.000 2.652 232 N HA -0.010 4.730 4.740 0.000 0.000 0.259 232 N C 0.145 175.639 175.510 -0.027 0.000 1.240 232 N CA 0.141 53.165 53.050 -0.043 0.000 0.951 232 N CB 0.046 38.511 38.487 -0.037 0.000 1.281 232 N HN 0.594 nan 8.380 nan 0.000 0.507 233 S N 0.322 116.009 115.700 -0.021 0.000 3.631 233 S HA -0.172 4.298 4.470 0.000 0.000 0.366 233 S C 0.041 174.640 174.600 -0.001 0.000 0.993 233 S CA 1.081 59.280 58.200 -0.001 0.000 1.167 233 S CB -1.154 62.048 63.200 0.004 0.000 0.909 233 S HN 0.846 nan 8.310 nan 0.000 0.478 234 D N -0.647 119.748 120.400 -0.009 0.000 2.649 234 D HA -0.011 4.629 4.640 0.000 0.000 0.507 234 D C 0.377 176.674 176.300 -0.005 0.000 1.091 234 D CA 0.249 54.249 54.000 0.001 0.000 1.076 234 D CB -0.392 40.406 40.800 -0.003 0.000 1.647 234 D HN 0.445 nan 8.370 nan 0.000 0.356 235 L N 0.512 121.711 121.223 -0.039 0.000 3.634 235 L HA -0.190 4.150 4.340 0.000 0.000 0.423 235 L C -0.703 176.040 176.870 -0.212 0.000 1.253 235 L CA 0.198 54.978 54.840 -0.101 0.000 0.885 235 L CB -1.641 40.458 42.059 0.068 0.000 1.789 235 L HN -0.017 nan 8.230 nan 0.000 0.904 236 V N 0.615 120.413 119.914 -0.193 0.000 2.313 236 V HA 0.365 4.485 4.120 0.000 0.000 0.278 236 V C -1.757 174.197 176.094 -0.233 0.000 1.017 236 V CA -1.384 60.800 62.300 -0.193 0.000 0.823 236 V CB 1.902 33.681 31.823 -0.074 0.000 1.010 236 V HN -0.034 nan 8.190 nan 0.000 0.443 237 P HA 0.172 nan 4.420 nan 0.000 0.266 237 P C -1.037 176.293 177.300 0.049 0.000 1.195 237 P CA 0.195 63.163 63.100 -0.221 0.000 0.768 237 P CB 0.509 31.962 31.700 -0.412 0.000 0.838 238 D N 1.858 122.307 120.400 0.081 0.000 2.934 238 D HA 0.264 4.904 4.640 0.000 0.000 0.230 238 D C -1.122 175.134 176.300 -0.073 0.000 1.204 238 D CA -0.505 53.521 54.000 0.043 0.000 0.873 238 D CB 0.992 41.788 40.800 -0.006 0.000 1.645 238 D HN 0.101 nan 8.370 nan 0.000 0.502 239 L N 3.373 124.433 121.223 -0.271 0.000 2.407 239 L HA 0.312 4.652 4.340 0.000 0.000 0.282 239 L C 0.196 177.020 176.870 -0.076 0.000 1.110 239 L CA -0.240 54.294 54.840 -0.510 0.000 0.863 239 L CB 0.034 41.531 42.059 -0.936 0.000 1.207 239 L HN 0.303 nan 8.230 nan 0.000 0.454 240 N N 5.575 124.372 118.700 0.163 0.000 2.426 240 N HA 0.277 5.017 4.740 0.000 0.000 0.257 240 N C -2.365 173.297 175.510 0.253 0.000 1.002 240 N CA -1.383 51.773 53.050 0.176 0.000 0.942 240 N CB 1.240 39.805 38.487 0.131 0.000 1.112 240 N HN 0.268 nan 8.380 nan 0.000 0.499 241 P HA 0.059 nan 4.420 nan 0.000 0.268 241 P C -0.386 176.943 177.300 0.047 0.000 1.205 241 P CA 0.001 63.168 63.100 0.112 0.000 0.771 241 P CB 1.578 33.327 31.700 0.081 0.000 0.858 242 R N 1.696 122.199 120.500 0.005 0.000 2.320 242 R HA 0.299 4.639 4.340 0.000 0.000 0.193 242 R C 0.266 176.530 176.300 -0.060 0.000 0.885 242 R CA 0.594 56.672 56.100 -0.038 0.000 1.085 242 R CB -0.069 30.192 30.300 -0.064 0.000 1.253 242 R HN 0.493 nan 8.270 nan 0.000 0.636 243 I N -1.151 119.396 120.570 -0.039 0.000 2.841 243 I HA 0.376 4.546 4.170 0.000 0.000 0.298 243 I C -0.775 175.351 176.117 0.015 0.000 1.304 243 I CA -0.805 60.478 61.300 -0.027 0.000 1.019 243 I CB 2.263 40.232 38.000 -0.052 0.000 1.282 243 I HN -0.272 nan 8.210 nan 0.000 0.432 244 S N 1.462 117.180 115.700 0.030 0.000 2.594 244 S HA 0.602 5.072 4.470 0.000 0.000 0.296 244 S C -1.492 173.149 174.600 0.069 0.000 1.124 244 S CA -0.441 57.794 58.200 0.057 0.000 1.011 244 S CB 0.885 64.108 63.200 0.039 0.000 1.016 244 S HN 0.731 nan 8.310 nan 0.000 0.485 245 H N 1.280 120.326 119.070 -0.040 0.000 2.529 245 H HA 0.555 5.111 4.556 0.000 0.000 0.348 245 H C -0.719 174.515 175.328 -0.158 0.000 1.079 245 H CA -0.101 55.852 56.048 -0.158 0.000 1.198 245 H CB 1.129 30.716 29.762 -0.292 0.000 1.521 245 H HN 0.443 nan 8.280 nan 0.000 0.514 246 T N 6.161 120.271 114.554 -0.742 0.000 2.767 246 T HA 0.258 4.609 4.350 0.000 0.000 0.284 246 T C -0.499 173.825 174.700 -0.627 0.000 0.973 246 T CA -0.361 61.493 62.100 -0.411 0.000 0.996 246 T CB -0.120 68.623 68.868 -0.209 0.000 0.927 246 T HN 0.290 nan 8.240 nan 0.000 0.456 247 F N 3.119 122.998 119.950 -0.117 0.000 2.411 247 F HA 0.261 4.789 4.527 0.000 0.000 0.350 247 F C 1.328 177.132 175.800 0.007 0.000 1.114 247 F CA -1.035 56.952 58.000 -0.022 0.000 1.135 247 F CB 0.534 39.566 39.000 0.054 0.000 1.120 247 F HN 0.459 nan 8.300 nan 0.000 0.495 248 N N 4.424 123.197 118.700 0.123 0.000 1.916 248 N HA -0.205 4.535 4.740 0.000 0.000 0.307 248 N C 1.449 176.943 175.510 -0.026 0.000 1.322 248 N CA 0.330 53.407 53.050 0.046 0.000 0.808 248 N CB 0.269 38.783 38.487 0.045 0.000 1.056 248 N HN 0.893 nan 8.380 nan 0.000 0.499 249 I N 3.919 124.361 120.570 -0.214 0.000 2.399 249 I HA -0.357 3.813 4.170 0.000 0.000 0.254 249 I C 1.220 177.202 176.117 -0.226 0.000 1.146 249 I CA 1.614 62.645 61.300 -0.448 0.000 1.412 249 I CB 0.007 37.428 38.000 -0.966 0.000 1.076 249 I HN 0.581 nan 8.210 nan 0.000 0.432 250 N N 0.681 119.298 118.700 -0.138 0.000 2.396 250 N HA -0.164 4.576 4.740 0.000 0.000 0.180 250 N C 1.231 176.715 175.510 -0.044 0.000 1.028 250 N CA 1.103 54.105 53.050 -0.080 0.000 0.893 250 N CB -0.001 38.453 38.487 -0.054 0.000 0.967 250 N HN 0.350 nan 8.380 nan 0.000 0.440 251 D N 0.441 120.827 120.400 -0.024 0.000 2.178 251 D HA -0.099 4.541 4.640 0.000 0.000 0.202 251 D C 0.247 176.541 176.300 -0.011 0.000 0.974 251 D CA 0.770 54.768 54.000 -0.003 0.000 0.841 251 D CB -0.293 40.526 40.800 0.031 0.000 0.953 251 D HN 0.119 nan 8.370 nan 0.000 0.478 252 N N 0.569 119.256 118.700 -0.022 0.000 2.756 252 N HA -0.202 4.539 4.740 0.000 0.000 0.248 252 N C -1.068 174.440 175.510 -0.003 0.000 1.062 252 N CA 0.197 53.237 53.050 -0.017 0.000 0.696 252 N CB -1.051 37.429 38.487 -0.012 0.000 0.946 252 N HN 0.157 nan 8.380 nan 0.000 0.548 253 R N 0.674 121.168 120.500 -0.010 0.000 2.522 253 R HA 0.184 4.524 4.340 0.000 0.000 0.284 253 R C 0.130 176.428 176.300 -0.004 0.000 1.032 253 R CA 0.153 56.236 56.100 -0.029 0.000 1.049 253 R CB 0.538 30.788 30.300 -0.083 0.000 0.956 253 R HN 0.117 nan 8.270 nan 0.000 0.422 254 K N 0.380 120.790 120.400 0.016 0.000 2.482 254 K HA 0.152 4.472 4.320 0.000 0.000 0.257 254 K C -0.125 176.514 176.600 0.065 0.000 0.969 254 K CA -0.838 55.475 56.287 0.043 0.000 0.842 254 K CB 2.026 34.573 32.500 0.079 0.000 1.359 254 K HN 0.545 nan 8.250 nan 0.000 0.441 255 S N 0.170 115.906 115.700 0.059 0.000 3.581 255 S HA -0.185 4.285 4.470 0.000 0.000 0.354 255 S C 0.126 174.771 174.600 0.074 0.000 1.059 255 S CA 0.423 58.681 58.200 0.096 0.000 1.060 255 S CB -1.570 61.741 63.200 0.184 0.000 0.908 255 S HN 0.558 nan 8.310 nan 0.000 0.475 256 c N 1.757 120.364 118.600 0.012 0.000 2.657 256 c HA 0.636 5.206 4.570 0.000 0.000 0.404 256 c C 1.115 175.219 174.090 0.022 0.000 1.291 256 c CA -0.407 55.908 56.329 -0.024 0.000 2.218 256 c CB 1.017 43.486 42.510 -0.068 0.000 2.687 256 c HN 0.692 nan 8.230 nan 0.000 0.634 257 S N 0.836 116.549 115.700 0.022 0.000 2.548 257 S HA 0.763 5.233 4.470 0.000 0.000 0.286 257 S C -0.958 173.835 174.600 0.322 0.000 1.098 257 S CA -0.472 57.840 58.200 0.188 0.000 0.930 257 S CB 0.973 64.364 63.200 0.318 0.000 1.070 257 S HN 0.537 nan 8.310 nan 0.000 0.480 258 L N 1.780 123.234 121.223 0.385 0.000 2.342 258 L HA 0.960 5.300 4.340 0.000 0.000 0.271 258 L C -0.253 176.802 176.870 0.308 0.000 1.008 258 L CA -0.766 54.299 54.840 0.375 0.000 0.818 258 L CB 1.823 44.013 42.059 0.218 0.000 1.296 258 L HN 0.748 nan 8.230 nan 0.000 0.427 259 A N 2.653 125.603 122.820 0.217 0.000 2.572 259 A HA 0.855 5.175 4.320 0.000 0.000 0.295 259 A C -1.464 176.144 177.584 0.039 0.000 1.072 259 A CA -0.490 51.523 52.037 -0.039 0.000 0.691 259 A CB 1.629 20.321 19.000 -0.513 0.000 1.291 259 A HN 0.589 nan 8.150 nan 0.000 0.404 260 L N 1.187 122.397 121.223 -0.020 0.000 2.329 260 L HA 0.635 4.975 4.340 0.000 0.000 0.279 260 L C -0.666 176.075 176.870 -0.215 0.000 1.014 260 L CA -0.473 54.346 54.840 -0.035 0.000 0.814 260 L CB 1.885 43.943 42.059 -0.002 0.000 1.257 260 L HN 0.659 nan 8.230 nan 0.000 0.424 261 L N 4.226 125.282 121.223 -0.278 0.000 2.417 261 L HA 0.396 4.737 4.340 0.000 0.000 0.259 261 L C -0.132 176.529 176.870 -0.348 0.000 1.023 261 L CA 0.086 54.529 54.840 -0.660 0.000 0.901 261 L CB 0.171 41.857 42.059 -0.621 0.000 1.227 261 L HN 0.905 nan 8.230 nan 0.000 0.454 262 N N 0.780 119.314 118.700 -0.277 0.000 1.742 262 N HA -0.334 4.407 4.740 0.000 0.000 0.162 262 N C 0.555 175.962 175.510 -0.171 0.000 0.678 262 N CA 2.138 55.097 53.050 -0.151 0.000 1.210 262 N CB -0.825 37.591 38.487 -0.118 0.000 1.358 262 N HN 0.648 nan 8.380 nan 0.000 0.440 263 T N -2.324 112.119 114.554 -0.184 0.000 3.134 263 T HA 0.265 4.615 4.350 0.000 0.000 0.260 263 T C -0.645 173.965 174.700 -0.150 0.000 1.027 263 T CA -0.117 61.803 62.100 -0.300 0.000 0.913 263 T CB -0.013 68.556 68.868 -0.498 0.000 1.046 263 T HN 0.236 nan 8.240 nan 0.000 0.553 264 D N 1.690 122.057 120.400 -0.054 0.000 2.225 264 D HA 0.411 5.051 4.640 0.000 0.000 0.248 264 D C -0.527 175.837 176.300 0.106 0.000 1.096 264 D CA -0.296 53.729 54.000 0.041 0.000 0.863 264 D CB 2.224 43.089 40.800 0.108 0.000 1.156 264 D HN 0.078 nan 8.370 nan 0.000 0.450 265 V N 3.588 123.563 119.914 0.101 0.000 2.370 265 V HA 0.169 4.289 4.120 0.000 0.000 0.279 265 V C -0.625 175.581 176.094 0.187 0.000 1.029 265 V CA -0.652 61.741 62.300 0.154 0.000 0.870 265 V CB 0.493 32.383 31.823 0.111 0.000 0.984 265 V HN 0.364 nan 8.190 nan 0.000 0.451 266 Y N 3.459 123.825 120.300 0.110 0.000 2.328 266 Y HA 0.516 5.066 4.550 0.000 0.000 0.337 266 Y C 0.357 176.420 175.900 0.271 0.000 1.008 266 Y CA -0.411 57.809 58.100 0.200 0.000 1.129 266 Y CB 1.532 40.154 38.460 0.270 0.000 1.185 266 Y HN 0.596 nan 8.280 nan 0.000 0.476 267 Q N 4.270 124.196 119.800 0.211 0.000 2.320 267 Q HA 0.483 4.823 4.340 0.000 0.000 0.268 267 Q C -2.113 173.810 176.000 -0.128 0.000 1.023 267 Q CA -0.967 54.873 55.803 0.062 0.000 0.744 267 Q CB 1.238 29.937 28.738 -0.064 0.000 1.246 267 Q HN 0.717 nan 8.270 nan 0.000 0.462 268 L N 4.666 125.678 121.223 -0.351 0.000 2.272 268 L HA 0.591 4.931 4.340 0.000 0.000 0.289 268 L C -1.458 175.218 176.870 -0.324 0.000 1.032 268 L CA 0.028 54.550 54.840 -0.530 0.000 0.810 268 L CB 1.074 42.366 42.059 -1.277 0.000 1.205 268 L HN 0.855 nan 8.230 nan 0.000 0.422 269 c N 1.737 120.209 118.600 -0.213 0.000 2.971 269 c HA 0.762 5.332 4.570 0.000 0.000 0.310 269 c C 0.067 174.109 174.090 -0.080 0.000 1.285 269 c CA -0.922 55.332 56.329 -0.124 0.000 1.593 269 c CB 1.932 44.370 42.510 -0.121 0.000 2.076 269 c HN 0.782 nan 8.230 nan 0.000 0.472 270 S N 0.311 116.004 115.700 -0.011 0.000 2.565 270 S HA 0.727 5.197 4.470 0.000 0.000 0.290 270 S C -0.064 174.548 174.600 0.020 0.000 1.150 270 S CA -0.123 58.077 58.200 0.001 0.000 1.058 270 S CB 0.703 63.979 63.200 0.126 0.000 1.032 270 S HN 0.976 nan 8.310 nan 0.000 0.510 271 T N 2.267 116.822 114.554 0.001 0.000 3.401 271 T HA 0.453 4.803 4.350 0.000 0.000 0.341 271 T C -2.754 171.958 174.700 0.019 0.000 1.674 271 T CA -1.508 60.598 62.100 0.010 0.000 1.600 271 T CB 0.562 69.425 68.868 -0.009 0.000 0.974 271 T HN 0.490 nan 8.240 nan 0.000 0.672 272 P HA 0.248 nan 4.420 nan 0.000 0.268 272 P C -0.052 177.278 177.300 0.050 0.000 1.204 272 P CA -0.299 62.844 63.100 0.073 0.000 0.768 272 P CB 1.344 33.152 31.700 0.180 0.000 0.842 273 K N 0.951 121.371 120.400 0.034 0.000 2.358 273 K HA 0.194 4.514 4.320 0.000 0.000 0.200 273 K C 0.614 177.234 176.600 0.033 0.000 1.030 273 K CA 0.042 56.344 56.287 0.025 0.000 1.097 273 K CB 0.463 32.968 32.500 0.009 0.000 0.862 273 K HN 0.427 nan 8.250 nan 0.000 0.534 274 V N -1.544 118.402 119.914 0.053 0.000 3.160 274 V HA 0.347 4.467 4.120 0.000 0.000 0.310 274 V C -1.023 175.127 176.094 0.094 0.000 1.181 274 V CA -1.462 60.874 62.300 0.059 0.000 1.047 274 V CB 1.735 33.587 31.823 0.049 0.000 1.068 274 V HN 0.088 nan 8.190 nan 0.000 0.441 275 D N 0.137 120.591 120.400 0.090 0.000 2.363 275 D HA 0.033 4.673 4.640 0.000 0.000 0.240 275 D C 0.877 177.285 176.300 0.180 0.000 1.236 275 D CA 0.349 54.420 54.000 0.118 0.000 0.927 275 D CB 1.265 42.119 40.800 0.089 0.000 1.150 275 D HN 0.903 nan 8.370 nan 0.000 0.458 276 E N 0.532 120.869 120.200 0.228 0.000 2.048 276 E HA -0.298 4.052 4.350 0.000 0.000 0.202 276 E C 2.025 178.885 176.600 0.434 0.000 1.021 276 E CA 1.380 58.003 56.400 0.372 0.000 0.825 276 E CB 0.071 29.997 29.700 0.377 0.000 0.756 276 E HN 0.410 nan 8.360 nan 0.000 0.454 277 R N -0.027 120.607 120.500 0.223 0.000 2.103 277 R HA -0.119 4.221 4.340 0.000 0.000 0.242 277 R C 2.666 179.052 176.300 0.142 0.000 1.142 277 R CA 1.640 57.785 56.100 0.074 0.000 0.960 277 R CB -0.237 29.956 30.300 -0.179 0.000 0.858 277 R HN 0.132 nan 8.270 nan 0.000 0.439 278 S N 0.586 116.354 115.700 0.113 0.000 2.383 278 S HA -0.157 4.313 4.470 0.000 0.000 0.227 278 S C 1.434 176.102 174.600 0.114 0.000 1.026 278 S CA 1.313 59.563 58.200 0.084 0.000 0.981 278 S CB -0.285 62.947 63.200 0.054 0.000 0.818 278 S HN 0.327 nan 8.310 nan 0.000 0.472 279 D N 0.689 121.185 120.400 0.161 0.000 2.092 279 D HA -0.151 4.489 4.640 0.000 0.000 0.193 279 D C 1.671 178.013 176.300 0.070 0.000 0.994 279 D CA 1.479 55.534 54.000 0.092 0.000 0.828 279 D CB -0.355 40.522 40.800 0.128 0.000 0.963 279 D HN 0.452 nan 8.370 nan 0.000 0.450 280 Y N 0.568 120.972 120.300 0.174 0.000 2.256 280 Y HA -0.087 4.463 4.550 0.000 0.000 0.288 280 Y C 2.484 178.441 175.900 0.096 0.000 1.155 280 Y CA 1.287 59.492 58.100 0.175 0.000 1.203 280 Y CB -0.477 38.189 38.460 0.344 0.000 0.980 280 Y HN 0.042 nan 8.280 nan 0.000 0.530 281 A N -0.357 122.592 122.820 0.215 0.000 2.015 281 A HA -0.067 4.253 4.320 0.000 0.000 0.219 281 A C 1.313 178.930 177.584 0.056 0.000 1.163 281 A CA 1.027 53.129 52.037 0.109 0.000 0.646 281 A CB -0.741 18.294 19.000 0.058 0.000 0.806 281 A HN 0.316 nan 8.150 nan 0.000 0.448 282 S N -0.176 115.546 115.700 0.035 0.000 2.462 282 S HA 0.603 5.073 4.470 0.000 0.000 0.294 282 S C -3.087 171.488 174.600 -0.042 0.000 1.144 282 S CA -1.822 56.374 58.200 -0.005 0.000 1.088 282 S CB 1.453 64.647 63.200 -0.011 0.000 1.009 282 S HN 0.003 nan 8.310 nan 0.000 0.484 283 P HA 0.456 nan 4.420 nan 0.000 0.269 283 P C 0.447 177.679 177.300 -0.114 0.000 1.209 283 P CA 1.139 64.183 63.100 -0.094 0.000 0.776 283 P CB 0.301 31.956 31.700 -0.076 0.000 0.876 284 G N 2.062 110.761 108.800 -0.170 0.000 2.895 284 G HA2 -0.082 3.879 3.960 0.000 0.000 0.686 284 G HA3 -0.082 3.879 3.960 0.000 0.000 0.686 284 G C -0.386 174.414 174.900 -0.166 0.000 1.108 284 G CA -0.429 44.567 45.100 -0.174 0.000 0.761 284 G HN 0.663 nan 8.290 nan 0.000 0.611 285 I N -1.294 119.172 120.570 -0.174 0.000 2.797 285 I HA 0.807 4.977 4.170 0.000 0.000 0.310 285 I C 0.374 176.400 176.117 -0.153 0.000 0.990 285 I CA -1.158 60.027 61.300 -0.192 0.000 1.228 285 I CB 1.099 38.989 38.000 -0.184 0.000 1.406 285 I HN 0.454 nan 8.210 nan 0.000 0.534 286 E N 2.206 122.280 120.200 -0.209 0.000 2.374 286 E HA 0.121 4.471 4.350 0.000 0.000 0.260 286 E C -0.868 175.658 176.600 -0.124 0.000 1.101 286 E CA -0.257 56.057 56.400 -0.144 0.000 0.907 286 E CB 0.481 30.094 29.700 -0.145 0.000 1.014 286 E HN 0.537 nan 8.360 nan 0.000 0.427 287 D N 1.055 121.416 120.400 -0.065 0.000 2.506 287 D HA 0.036 4.676 4.640 0.000 0.000 0.234 287 D C 0.023 176.298 176.300 -0.043 0.000 1.143 287 D CA 0.717 54.697 54.000 -0.033 0.000 0.871 287 D CB 0.343 41.133 40.800 -0.018 0.000 1.190 287 D HN 0.211 nan 8.370 nan 0.000 0.459 288 I N 1.464 122.033 120.570 -0.001 0.000 2.603 288 I HA 0.378 4.548 4.170 0.000 0.000 0.300 288 I C -0.329 175.845 176.117 0.095 0.000 1.017 288 I CA -0.982 60.311 61.300 -0.011 0.000 1.098 288 I CB 1.951 39.900 38.000 -0.086 0.000 1.279 288 I HN -0.042 nan 8.210 nan 0.000 0.437 289 V N 5.743 125.678 119.914 0.034 0.000 2.823 289 V HA 0.478 4.598 4.120 0.000 0.000 0.312 289 V C -0.947 175.158 176.094 0.018 0.000 1.072 289 V CA -0.719 61.610 62.300 0.049 0.000 0.937 289 V CB 2.636 34.439 31.823 -0.034 0.000 1.013 289 V HN 0.415 nan 8.190 nan 0.000 0.430 290 L N 3.660 124.931 121.223 0.079 0.000 2.376 290 L HA 0.679 5.020 4.340 0.000 0.000 0.275 290 L C -1.053 175.803 176.870 -0.023 0.000 0.987 290 L CA 0.086 54.953 54.840 0.045 0.000 0.828 290 L CB 1.773 43.964 42.059 0.221 0.000 1.249 290 L HN 0.595 nan 8.230 nan 0.000 0.409 291 D N 6.560 126.907 120.400 -0.088 0.000 2.308 291 D HA 0.425 5.065 4.640 0.000 0.000 0.242 291 D C -0.448 175.792 176.300 -0.100 0.000 1.059 291 D CA 0.044 54.005 54.000 -0.065 0.000 0.830 291 D CB 2.452 43.187 40.800 -0.109 0.000 1.161 291 D HN 0.423 nan 8.370 nan 0.000 0.494 292 I N 2.102 122.585 120.570 -0.146 0.000 2.354 292 I HA 0.164 4.334 4.170 0.000 0.000 0.286 292 I C -0.341 175.700 176.117 -0.126 0.000 1.007 292 I CA -0.841 60.278 61.300 -0.302 0.000 1.167 292 I CB 1.668 39.400 38.000 -0.447 0.000 1.320 292 I HN -0.044 nan 8.210 nan 0.000 0.458 293 V N 5.955 125.832 119.914 -0.062 0.000 2.370 293 V HA 0.290 4.411 4.120 0.000 0.000 0.283 293 V C 0.088 176.183 176.094 0.001 0.000 1.023 293 V CA -0.789 61.506 62.300 -0.007 0.000 0.857 293 V CB 1.065 32.927 31.823 0.065 0.000 0.985 293 V HN 0.692 nan 8.190 nan 0.000 0.443 294 N N 2.405 121.103 118.700 -0.003 0.000 2.513 294 N HA 0.201 4.941 4.740 0.000 0.000 0.274 294 N C 0.505 176.077 175.510 0.103 0.000 1.189 294 N CA -0.669 52.403 53.050 0.036 0.000 0.975 294 N CB 0.844 39.340 38.487 0.015 0.000 1.157 294 N HN 0.669 nan 8.380 nan 0.000 0.465 295 Y N 1.720 121.996 120.300 -0.041 0.000 2.241 295 Y HA -0.233 4.317 4.550 0.000 0.000 0.286 295 Y C 1.588 177.459 175.900 -0.048 0.000 1.166 295 Y CA 1.492 59.564 58.100 -0.047 0.000 1.203 295 Y CB -0.359 38.074 38.460 -0.045 0.000 0.977 295 Y HN 0.642 nan 8.280 nan 0.000 0.529 296 D N -2.078 118.324 120.400 0.004 0.000 2.378 296 D HA 0.058 4.698 4.640 0.000 0.000 0.227 296 D C 1.907 178.153 176.300 -0.092 0.000 1.012 296 D CA 1.003 54.951 54.000 -0.088 0.000 0.905 296 D CB -0.506 40.266 40.800 -0.048 0.000 0.895 296 D HN 0.448 nan 8.370 nan 0.000 0.532 297 G N 0.610 109.366 108.800 -0.074 0.000 2.234 297 G HA2 -0.305 3.655 3.960 0.000 0.000 0.235 297 G HA3 -0.305 3.655 3.960 0.000 0.000 0.235 297 G C 0.425 175.249 174.900 -0.127 0.000 0.997 297 G CA 0.315 45.355 45.100 -0.100 0.000 0.623 297 G HN 0.782 nan 8.290 nan 0.000 0.514 298 S N 0.353 115.999 115.700 -0.091 0.000 2.549 298 S HA 0.644 5.114 4.470 0.000 0.000 0.283 298 S C 0.107 174.645 174.600 -0.102 0.000 1.320 298 S CA -0.091 58.053 58.200 -0.094 0.000 1.058 298 S CB 1.334 64.498 63.200 -0.059 0.000 0.882 298 S HN 0.701 nan 8.310 nan 0.000 0.498 299 I N 2.064 122.562 120.570 -0.119 0.000 2.545 299 I HA 0.439 4.609 4.170 0.000 0.000 0.292 299 I C -0.119 175.969 176.117 -0.048 0.000 1.040 299 I CA -0.523 60.722 61.300 -0.093 0.000 1.068 299 I CB 2.296 40.203 38.000 -0.155 0.000 1.251 299 I HN 0.706 nan 8.210 nan 0.000 0.424 300 S N 3.509 119.188 115.700 -0.035 0.000 2.519 300 S HA 0.604 5.074 4.470 0.000 0.000 0.309 300 S C -0.696 173.892 174.600 -0.019 0.000 1.100 300 S CA -0.290 57.890 58.200 -0.034 0.000 1.059 300 S CB 1.088 64.256 63.200 -0.054 0.000 1.008 300 S HN 0.590 nan 8.310 nan 0.000 0.478 301 T N 4.375 118.924 114.554 -0.007 0.000 2.809 301 T HA 0.495 4.845 4.350 0.000 0.000 0.284 301 T C -0.767 173.895 174.700 -0.065 0.000 0.992 301 T CA -0.418 61.678 62.100 -0.008 0.000 0.957 301 T CB 1.448 70.344 68.868 0.047 0.000 0.942 301 T HN 0.577 nan 8.240 nan 0.000 0.439 302 T N 3.701 118.195 114.554 -0.100 0.000 2.779 302 T HA 0.471 4.821 4.350 0.000 0.000 0.280 302 T C -0.069 174.425 174.700 -0.344 0.000 0.987 302 T CA -0.735 61.212 62.100 -0.255 0.000 0.966 302 T CB 1.285 69.965 68.868 -0.314 0.000 0.933 302 T HN 0.409 nan 8.240 nan 0.000 0.442 303 R N 2.641 122.902 120.500 -0.398 0.000 2.346 303 R HA 0.525 4.865 4.340 0.000 0.000 0.311 303 R C -1.475 174.546 176.300 -0.465 0.000 0.983 303 R CA -0.560 55.364 56.100 -0.293 0.000 0.880 303 R CB 0.471 30.676 30.300 -0.157 0.000 1.100 303 R HN 0.487 nan 8.270 nan 0.000 0.453 304 F N 4.321 124.230 119.950 -0.068 0.000 2.403 304 F HA 0.400 4.927 4.527 0.000 0.000 0.355 304 F C 0.222 175.984 175.800 -0.063 0.000 1.119 304 F CA -0.840 57.117 58.000 -0.071 0.000 1.007 304 F CB 1.372 40.312 39.000 -0.101 0.000 1.194 304 F HN 0.207 nan 8.300 nan 0.000 0.443 305 K N 1.391 121.849 120.400 0.097 0.000 2.090 305 K HA 0.173 4.493 4.320 0.000 0.000 0.250 305 K C 0.905 177.563 176.600 0.096 0.000 1.004 305 K CA -0.446 55.876 56.287 0.058 0.000 0.919 305 K CB 1.018 33.532 32.500 0.022 0.000 1.045 305 K HN 0.559 nan 8.250 nan 0.000 0.471 306 N N 1.364 120.110 118.700 0.076 0.000 2.021 306 N HA -0.238 4.502 4.740 0.000 0.000 0.198 306 N C 0.847 176.469 175.510 0.186 0.000 1.041 306 N CA 1.921 55.052 53.050 0.135 0.000 0.862 306 N CB -0.058 38.441 38.487 0.019 0.000 1.048 306 N HN 0.408 nan 8.380 nan 0.000 0.427 307 N N 0.256 119.013 118.700 0.094 0.000 2.585 307 N HA -0.081 4.659 4.740 0.000 0.000 0.188 307 N C 0.393 175.959 175.510 0.093 0.000 1.102 307 N CA 0.471 53.572 53.050 0.085 0.000 0.920 307 N CB -0.311 38.199 38.487 0.038 0.000 0.963 307 N HN 0.399 nan 8.380 nan 0.000 0.447 308 N N 0.064 118.828 118.700 0.107 0.000 2.325 308 N HA 0.159 4.899 4.740 0.000 0.000 0.182 308 N C 0.066 175.628 175.510 0.087 0.000 1.088 308 N CA 0.068 53.183 53.050 0.108 0.000 0.879 308 N CB 0.887 39.456 38.487 0.136 0.000 0.983 308 N HN 0.248 nan 8.380 nan 0.000 0.471 309 I N 0.622 121.200 120.570 0.014 0.000 2.499 309 I HA 0.138 4.308 4.170 0.000 0.000 0.296 309 I C 0.110 176.037 176.117 -0.317 0.000 0.992 309 I CA -0.352 60.776 61.300 -0.287 0.000 1.297 309 I CB 1.465 39.066 38.000 -0.665 0.000 1.410 309 I HN -0.248 nan 8.210 nan 0.000 0.507 310 S N 5.162 120.612 115.700 -0.417 0.000 2.422 310 S HA 0.540 5.010 4.470 0.000 0.000 0.298 310 S C -0.646 173.660 174.600 -0.489 0.000 1.118 310 S CA -0.451 57.576 58.200 -0.287 0.000 1.083 310 S CB 0.183 63.249 63.200 -0.224 0.000 0.971 310 S HN 0.216 nan 8.310 nan 0.000 0.478 311 F N 2.001 121.805 119.950 -0.245 0.000 2.450 311 F HA 0.298 4.825 4.527 0.000 0.000 0.332 311 F C 1.436 177.074 175.800 -0.271 0.000 1.093 311 F CA -1.258 56.589 58.000 -0.256 0.000 1.003 311 F CB 1.018 39.955 39.000 -0.104 0.000 1.151 311 F HN 0.490 nan 8.300 nan 0.000 0.474 312 D N -0.198 120.106 120.400 -0.161 0.000 2.219 312 D HA -0.113 4.527 4.640 0.000 0.000 0.205 312 D C 0.024 176.339 176.300 0.024 0.000 0.970 312 D CA 0.992 54.891 54.000 -0.168 0.000 0.851 312 D CB -0.173 40.551 40.800 -0.125 0.000 0.943 312 D HN 0.698 nan 8.370 nan 0.000 0.488 313 Q N -1.204 118.664 119.800 0.112 0.000 2.482 313 Q HA 0.451 4.791 4.340 0.000 0.000 0.286 313 Q C -3.204 172.796 176.000 -0.000 0.000 1.007 313 Q CA -1.989 53.841 55.803 0.045 0.000 0.801 313 Q CB 2.255 30.997 28.738 0.007 0.000 1.455 313 Q HN -0.170 nan 8.270 nan 0.000 0.398 314 P HA 0.086 nan 4.420 nan 0.000 0.271 314 P C -1.403 175.626 177.300 -0.452 0.000 1.218 314 P CA 0.183 63.023 63.100 -0.432 0.000 0.780 314 P CB 0.367 31.778 31.700 -0.482 0.000 0.901 315 Y N -0.206 119.687 120.300 -0.678 0.000 2.485 315 Y HA 0.470 5.020 4.550 0.000 0.000 0.345 315 Y C 1.346 177.009 175.900 -0.396 0.000 0.998 315 Y CA -0.668 57.157 58.100 -0.458 0.000 1.059 315 Y CB 1.842 40.072 38.460 -0.384 0.000 1.234 315 Y HN 0.425 nan 8.280 nan 0.000 0.461 316 A N 1.768 124.483 122.820 -0.174 0.000 2.044 316 A HA 0.638 4.958 4.320 0.000 0.000 0.213 316 A C 0.515 177.952 177.584 -0.245 0.000 1.169 316 A CA 0.989 52.926 52.037 -0.166 0.000 0.724 316 A CB -0.023 18.928 19.000 -0.082 0.000 0.840 316 A HN 0.739 nan 8.150 nan 0.000 0.463 317 A N -1.049 121.582 122.820 -0.315 0.000 2.566 317 A HA 0.635 4.956 4.320 0.000 0.000 0.297 317 A C -1.698 175.663 177.584 -0.371 0.000 1.059 317 A CA -0.342 51.388 52.037 -0.511 0.000 0.691 317 A CB 1.130 19.495 19.000 -1.059 0.000 1.282 317 A HN 0.989 nan 8.150 nan 0.000 0.401 318 L N 1.684 122.573 121.223 -0.556 0.000 2.562 318 L HA 0.781 5.121 4.340 0.000 0.000 0.266 318 L C -2.175 174.291 176.870 -0.673 0.000 0.949 318 L CA -0.215 54.357 54.840 -0.446 0.000 0.879 318 L CB 1.424 43.277 42.059 -0.343 0.000 1.278 318 L HN 0.662 nan 8.230 nan 0.000 0.404 319 Y N 4.558 124.658 120.300 -0.332 0.000 2.462 319 Y HA 0.690 5.240 4.550 0.000 0.000 0.346 319 Y C -2.282 173.566 175.900 -0.086 0.000 0.976 319 Y CA -2.265 55.691 58.100 -0.239 0.000 1.044 319 Y CB 1.830 40.111 38.460 -0.299 0.000 1.230 319 Y HN 0.482 nan 8.280 nan 0.000 0.455 320 P HA -0.016 nan 4.420 nan 0.000 0.270 320 P C 0.418 177.913 177.300 0.325 0.000 1.223 320 P CA 0.142 63.313 63.100 0.118 0.000 0.785 320 P CB 0.702 32.393 31.700 -0.014 0.000 0.923 321 S N 0.311 116.221 115.700 0.350 0.000 2.660 321 S HA 0.011 4.481 4.470 0.000 0.000 0.223 321 S C 1.189 175.959 174.600 0.282 0.000 0.963 321 S CA 0.530 58.968 58.200 0.397 0.000 0.932 321 S CB -0.968 62.434 63.200 0.337 0.000 0.775 321 S HN 0.277 nan 8.310 nan 0.000 0.531 322 V N -0.534 119.516 119.914 0.227 0.000 0.508 322 V HA -0.270 3.850 4.120 0.000 0.000 0.092 322 V C 1.583 177.766 176.094 0.148 0.000 2.282 322 V CA 1.639 64.021 62.300 0.136 0.000 3.591 322 V CB -2.290 29.577 31.823 0.073 0.000 0.878 322 V HN 0.866 nan 8.190 nan 0.000 0.919 323 G N 3.314 112.236 108.800 0.203 0.000 2.614 323 G HA2 0.428 4.388 3.960 0.000 0.000 0.239 323 G HA3 0.428 4.388 3.960 0.000 0.000 0.239 323 G C -2.016 173.042 174.900 0.264 0.000 1.240 323 G CA 0.179 45.441 45.100 0.269 0.000 0.842 323 G HN 0.587 nan 8.290 nan 0.000 0.584 324 P HA 0.174 nan 4.420 nan 0.000 0.271 324 P C 0.531 177.920 177.300 0.149 0.000 1.218 324 P CA 0.052 63.278 63.100 0.209 0.000 0.780 324 P CB 1.218 33.024 31.700 0.176 0.000 0.901 325 G N 1.845 110.667 108.800 0.038 0.000 2.532 325 G HA2 0.662 4.623 3.960 0.000 0.000 0.291 325 G HA3 0.662 4.623 3.960 0.000 0.000 0.291 325 G C -0.075 174.720 174.900 -0.176 0.000 1.349 325 G CA -0.947 44.038 45.100 -0.192 0.000 1.038 325 G HN 0.663 nan 8.290 nan 0.000 0.518 326 I N -4.070 116.374 120.570 -0.209 0.000 3.239 326 I HA 0.647 4.817 4.170 0.000 0.000 0.314 326 I C -1.674 174.422 176.117 -0.035 0.000 1.126 326 I CA -1.353 59.900 61.300 -0.077 0.000 0.973 326 I CB 2.641 40.617 38.000 -0.039 0.000 1.252 326 I HN 0.371 nan 8.210 nan 0.000 0.463 327 Y N 3.239 123.487 120.300 -0.086 0.000 2.712 327 Y HA 0.503 5.053 4.550 0.000 0.000 0.328 327 Y C -1.904 174.026 175.900 0.050 0.000 0.995 327 Y CA -1.395 56.658 58.100 -0.079 0.000 1.283 327 Y CB 0.389 38.793 38.460 -0.093 0.000 1.092 327 Y HN 0.539 nan 8.280 nan 0.000 0.519 328 Y N 5.638 125.797 120.300 -0.235 0.000 2.352 328 Y HA 0.442 4.992 4.550 0.000 0.000 0.339 328 Y C 0.014 175.756 175.900 -0.264 0.000 0.992 328 Y CA -1.459 56.494 58.100 -0.245 0.000 1.100 328 Y CB 0.888 39.278 38.460 -0.117 0.000 1.192 328 Y HN 0.450 nan 8.280 nan 0.000 0.458 329 K N 4.608 124.578 120.400 -0.717 0.000 3.490 329 K HA -0.210 4.110 4.320 0.000 0.000 0.273 329 K C 0.887 177.265 176.600 -0.369 0.000 0.916 329 K CA 1.083 57.008 56.287 -0.603 0.000 0.718 329 K CB -1.862 30.210 32.500 -0.714 0.000 1.477 329 K HN 1.369 nan 8.250 nan 0.000 0.452 330 G N -0.732 107.803 108.800 -0.443 0.000 2.168 330 G HA2 -0.343 3.617 3.960 0.000 0.000 0.263 330 G HA3 -0.343 3.617 3.960 0.000 0.000 0.263 330 G C -0.100 174.798 174.900 -0.004 0.000 0.977 330 G CA 0.970 45.949 45.100 -0.202 0.000 0.659 330 G HN 0.324 nan 8.290 nan 0.000 0.533 331 K N 0.006 120.378 120.400 -0.046 0.000 2.316 331 K HA 0.611 4.931 4.320 0.000 0.000 0.251 331 K C -0.231 176.417 176.600 0.080 0.000 0.934 331 K CA -1.120 55.206 56.287 0.064 0.000 0.802 331 K CB 2.013 34.558 32.500 0.076 0.000 1.171 331 K HN 0.026 nan 8.250 nan 0.000 0.426 332 I N 4.023 124.584 120.570 -0.014 0.000 2.301 332 I HA 0.304 4.474 4.170 0.000 0.000 0.292 332 I C 0.173 176.203 176.117 -0.145 0.000 1.046 332 I CA -0.509 60.678 61.300 -0.189 0.000 1.282 332 I CB 0.019 37.714 38.000 -0.509 0.000 1.409 332 I HN 0.420 nan 8.210 nan 0.000 0.484 333 I N 7.040 127.500 120.570 -0.183 0.000 2.389 333 I HA 0.346 4.516 4.170 0.000 0.000 0.288 333 I C -0.517 175.468 176.117 -0.221 0.000 0.999 333 I CA -0.486 60.747 61.300 -0.111 0.000 1.129 333 I CB 1.425 39.402 38.000 -0.037 0.000 1.288 333 I HN 0.237 nan 8.210 nan 0.000 0.444 334 F N 5.647 125.595 119.950 -0.004 0.000 2.470 334 F HA 0.495 5.023 4.527 0.000 0.000 0.329 334 F C -0.060 175.757 175.800 0.029 0.000 1.072 334 F CA -0.813 57.201 58.000 0.023 0.000 0.989 334 F CB 1.643 40.653 39.000 0.018 0.000 1.193 334 F HN 0.237 nan 8.300 nan 0.000 0.481 335 L N 1.732 123.121 121.223 0.277 0.000 2.325 335 L HA 0.844 5.184 4.340 0.000 0.000 0.279 335 L C -0.139 176.879 176.870 0.248 0.000 1.054 335 L CA 0.162 55.129 54.840 0.211 0.000 0.804 335 L CB 1.027 43.204 42.059 0.197 0.000 1.200 335 L HN 0.637 nan 8.230 nan 0.000 0.436 336 G N 2.776 111.706 108.800 0.216 0.000 2.798 336 G HA2 0.644 4.604 3.960 0.000 0.000 0.286 336 G HA3 0.644 4.604 3.960 0.000 0.000 0.286 336 G C -1.990 173.115 174.900 0.342 0.000 1.389 336 G CA -0.266 44.976 45.100 0.238 0.000 0.894 336 G HN 0.862 nan 8.290 nan 0.000 0.488 337 Y N -2.459 117.940 120.300 0.164 0.000 2.624 337 Y HA 0.812 5.362 4.550 0.000 0.000 0.334 337 Y C 0.099 176.144 175.900 0.242 0.000 1.155 337 Y CA -0.472 57.742 58.100 0.189 0.000 1.046 337 Y CB 1.484 40.049 38.460 0.175 0.000 1.316 337 Y HN 1.525 nan 8.280 nan 0.000 0.457 338 G N -0.102 108.754 108.800 0.093 0.000 2.399 338 G HA2 0.471 4.432 3.960 0.000 0.000 0.256 338 G HA3 0.471 4.432 3.960 0.000 0.000 0.256 338 G C -1.404 173.607 174.900 0.185 0.000 1.236 338 G CA -0.309 44.823 45.100 0.053 0.000 0.914 338 G HN 1.370 nan 8.290 nan 0.000 0.482 339 G N -0.357 108.515 108.800 0.120 0.000 2.590 339 G HA2 0.631 4.591 3.960 0.000 0.000 0.310 339 G HA3 0.631 4.591 3.960 0.000 0.000 0.310 339 G C -0.238 174.567 174.900 -0.158 0.000 1.347 339 G CA -0.640 44.526 45.100 0.110 0.000 0.963 339 G HN 0.588 nan 8.290 nan 0.000 0.494 340 L N 1.159 122.197 121.223 -0.309 0.000 2.467 340 L HA 0.157 4.497 4.340 0.000 0.000 0.270 340 L C 1.697 178.383 176.870 -0.306 0.000 1.205 340 L CA -0.149 54.383 54.840 -0.512 0.000 0.828 340 L CB 1.432 43.240 42.059 -0.417 0.000 1.101 340 L HN 0.831 nan 8.230 nan 0.000 0.479 341 E N 0.781 120.747 120.200 -0.390 0.000 2.051 341 E HA -0.079 4.271 4.350 0.000 0.000 0.189 341 E C 0.070 176.562 176.600 -0.179 0.000 0.979 341 E CA 0.462 56.681 56.400 -0.303 0.000 0.803 341 E CB 0.344 29.770 29.700 -0.457 0.000 0.761 341 E HN 0.494 nan 8.360 nan 0.000 0.451 342 H N 0.816 119.803 119.070 -0.140 0.000 2.502 342 H HA 0.281 4.837 4.556 0.000 0.000 0.327 342 H C -2.187 173.075 175.328 -0.109 0.000 1.099 342 H CA -2.996 52.988 56.048 -0.107 0.000 1.323 342 H CB 0.481 30.187 29.762 -0.092 0.000 1.450 342 H HN 0.107 nan 8.280 nan 0.000 0.502 343 P HA 0.117 nan 4.420 nan 0.000 0.271 343 P C 0.250 177.541 177.300 -0.015 0.000 1.216 343 P CA 0.074 63.147 63.100 -0.046 0.000 0.776 343 P CB 0.816 32.473 31.700 -0.072 0.000 0.881 344 I N 2.560 123.116 120.570 -0.023 0.000 2.577 344 I HA 0.207 4.377 4.170 0.000 0.000 0.305 344 I C 0.698 176.820 176.117 0.007 0.000 0.986 344 I CA -0.473 60.826 61.300 -0.000 0.000 1.189 344 I CB 1.223 39.224 38.000 0.002 0.000 1.355 344 I HN 0.266 nan 8.210 nan 0.000 0.476 345 N N 5.336 124.044 118.700 0.014 0.000 2.936 345 N HA 0.196 4.936 4.740 0.000 0.000 0.243 345 N C -1.310 174.218 175.510 0.030 0.000 1.149 345 N CA -0.282 52.781 53.050 0.021 0.000 0.914 345 N CB 0.552 39.047 38.487 0.012 0.000 1.179 345 N HN 0.586 nan 8.380 nan 0.000 0.502 346 E N 0.318 120.543 120.200 0.041 0.000 2.390 346 E HA 0.202 4.552 4.350 0.000 0.000 0.280 346 E C -1.547 175.087 176.600 0.057 0.000 0.992 346 E CA -0.949 55.477 56.400 0.044 0.000 0.790 346 E CB 1.034 30.758 29.700 0.039 0.000 1.248 346 E HN 0.160 nan 8.360 nan 0.000 0.447 347 N N 1.442 120.173 118.700 0.052 0.000 2.401 347 N HA 0.210 4.950 4.740 0.000 0.000 0.255 347 N C 0.352 175.901 175.510 0.065 0.000 1.110 347 N CA -0.492 52.594 53.050 0.060 0.000 0.949 347 N CB 1.295 39.812 38.487 0.049 0.000 1.110 347 N HN 0.443 nan 8.380 nan 0.000 0.490 348 V N 1.636 121.603 119.914 0.088 0.000 3.237 348 V HA 0.172 4.292 4.120 0.000 0.000 0.305 348 V C 0.859 177.001 176.094 0.079 0.000 1.096 348 V CA -0.889 61.465 62.300 0.090 0.000 1.130 348 V CB 0.562 32.471 31.823 0.143 0.000 1.048 348 V HN 0.596 nan 8.190 nan 0.000 0.484 349 I N 2.314 122.892 120.570 0.013 0.000 2.815 349 I HA 0.295 4.465 4.170 0.000 0.000 0.291 349 I C 0.029 176.229 176.117 0.138 0.000 1.209 349 I CA 0.703 61.978 61.300 -0.040 0.000 1.431 349 I CB 0.096 37.885 38.000 -0.350 0.000 1.351 349 I HN 1.035 nan 8.210 nan 0.000 0.585 350 c N 7.481 126.190 118.600 0.182 0.000 3.090 350 c HA 0.483 5.053 4.570 0.000 0.000 0.347 350 c C -1.222 173.017 174.090 0.249 0.000 1.147 350 c CA -0.682 55.827 56.329 0.298 0.000 1.305 350 c CB 1.496 44.105 42.510 0.164 0.000 1.692 350 c HN 0.874 nan 8.230 nan 0.000 0.506 351 N N 1.628 120.512 118.700 0.307 0.000 2.558 351 N HA 0.315 5.056 4.740 0.000 0.000 0.285 351 N C 0.283 175.857 175.510 0.106 0.000 1.112 351 N CA 0.148 53.329 53.050 0.219 0.000 0.857 351 N CB 1.869 40.547 38.487 0.317 0.000 1.376 351 N HN 0.860 nan 8.380 nan 0.000 0.526 352 T N -1.460 113.113 114.554 0.033 0.000 3.105 352 T HA 0.127 4.477 4.350 0.000 0.000 0.253 352 T C 0.456 175.151 174.700 -0.008 0.000 1.047 352 T CA -0.016 62.067 62.100 -0.028 0.000 0.944 352 T CB -0.349 68.489 68.868 -0.050 0.000 1.016 352 T HN 0.232 nan 8.240 nan 0.000 0.544 353 T N 2.924 117.492 114.554 0.023 0.000 2.751 353 T HA 0.441 4.791 4.350 0.000 0.000 0.279 353 T C 1.355 176.065 174.700 0.015 0.000 0.941 353 T CA 0.941 63.051 62.100 0.017 0.000 1.192 353 T CB -0.326 68.557 68.868 0.024 0.000 0.883 353 T HN 0.813 nan 8.240 nan 0.000 0.534 354 G N 2.513 111.312 108.800 -0.001 0.000 2.148 354 G HA2 -0.213 3.747 3.960 0.000 0.000 0.203 354 G HA3 -0.213 3.747 3.960 0.000 0.000 0.203 354 G C 0.292 175.178 174.900 -0.023 0.000 0.993 354 G CA -0.313 44.785 45.100 -0.004 0.000 0.661 354 G HN 0.762 nan 8.290 nan 0.000 0.518 355 c N 2.759 121.338 118.600 -0.036 0.000 3.169 355 c HA 0.451 5.021 4.570 0.000 0.000 0.232 355 c C -1.553 172.505 174.090 -0.054 0.000 1.316 355 c CA -1.641 54.651 56.329 -0.061 0.000 1.545 355 c CB 0.307 42.756 42.510 -0.101 0.000 1.785 355 c HN 0.462 nan 8.230 nan 0.000 0.454 356 P HA 0.123 nan 4.420 nan 0.000 0.261 356 P C 1.013 178.291 177.300 -0.036 0.000 1.173 356 P CA 1.828 64.910 63.100 -0.030 0.000 0.760 356 P CB 0.462 32.149 31.700 -0.022 0.000 0.783 357 G N 1.715 110.495 108.800 -0.033 0.000 2.205 357 G HA2 -0.202 3.758 3.960 0.000 0.000 0.261 357 G HA3 -0.202 3.758 3.960 0.000 0.000 0.261 357 G C 0.085 174.957 174.900 -0.048 0.000 0.980 357 G CA 0.027 45.107 45.100 -0.034 0.000 0.632 357 G HN 0.575 nan 8.290 nan 0.000 0.533 358 K N 1.236 121.597 120.400 -0.065 0.000 2.138 358 K HA 0.726 5.046 4.320 0.000 0.000 0.263 358 K C 0.497 177.050 176.600 -0.078 0.000 0.965 358 K CA 0.351 56.582 56.287 -0.093 0.000 0.868 358 K CB 1.791 34.203 32.500 -0.146 0.000 1.083 358 K HN 0.608 nan 8.250 nan 0.000 0.443 359 T N -2.508 111.999 114.554 -0.078 0.000 2.804 359 T HA 0.114 4.464 4.350 0.000 0.000 0.290 359 T C 1.033 175.700 174.700 -0.056 0.000 1.099 359 T CA -0.641 61.427 62.100 -0.052 0.000 1.011 359 T CB 1.420 70.270 68.868 -0.030 0.000 1.291 359 T HN 0.312 nan 8.240 nan 0.000 0.523 360 Q N 0.456 120.242 119.800 -0.024 0.000 2.197 360 Q HA -0.140 4.200 4.340 0.000 0.000 0.207 360 Q C 2.263 178.262 176.000 -0.001 0.000 0.984 360 Q CA 2.161 57.962 55.803 -0.002 0.000 0.869 360 Q CB -0.412 28.336 28.738 0.017 0.000 0.906 360 Q HN 0.716 nan 8.270 nan 0.000 0.426 361 R N -0.201 120.295 120.500 -0.007 0.000 2.081 361 R HA -0.155 4.186 4.340 0.000 0.000 0.235 361 R C 1.401 177.692 176.300 -0.015 0.000 1.131 361 R CA 1.809 57.910 56.100 0.003 0.000 0.960 361 R CB -0.227 30.075 30.300 0.002 0.000 0.856 361 R HN 0.389 nan 8.270 nan 0.000 0.436 362 D N 0.097 120.463 120.400 -0.058 0.000 2.117 362 D HA -0.175 4.465 4.640 0.000 0.000 0.197 362 D C 1.989 178.219 176.300 -0.117 0.000 0.987 362 D CA 1.488 55.428 54.000 -0.101 0.000 0.829 362 D CB -0.305 40.398 40.800 -0.160 0.000 0.961 362 D HN 0.364 nan 8.370 nan 0.000 0.460 363 c N 0.955 119.486 118.600 -0.115 0.000 2.436 363 c HA -0.100 4.470 4.570 0.000 0.000 0.277 363 c C 2.516 176.670 174.090 0.106 0.000 1.241 363 c CA 0.413 56.734 56.329 -0.013 0.000 1.721 363 c CB -1.366 41.185 42.510 0.068 0.000 2.043 363 c HN 0.417 nan 8.230 nan 0.000 0.472 364 N N 0.120 118.869 118.700 0.083 0.000 2.069 364 N HA -0.203 4.537 4.740 0.000 0.000 0.191 364 N C 1.863 177.421 175.510 0.080 0.000 1.031 364 N CA 1.062 54.182 53.050 0.116 0.000 0.852 364 N CB -0.229 38.323 38.487 0.108 0.000 1.018 364 N HN 0.557 nan 8.380 nan 0.000 0.423 365 Q N 0.477 120.290 119.800 0.022 0.000 2.170 365 Q HA -0.021 4.319 4.340 0.000 0.000 0.203 365 Q C 1.734 177.636 176.000 -0.163 0.000 0.976 365 Q CA 0.818 56.576 55.803 -0.075 0.000 0.858 365 Q CB -0.156 28.570 28.738 -0.020 0.000 0.907 365 Q HN 0.395 nan 8.270 nan 0.000 0.433 366 A N 0.697 123.517 122.820 -0.001 0.000 2.238 366 A HA -0.024 4.296 4.320 0.000 0.000 0.208 366 A C 1.976 179.754 177.584 0.323 0.000 1.177 366 A CA 0.979 53.093 52.037 0.129 0.000 0.804 366 A CB -0.188 18.924 19.000 0.187 0.000 0.823 366 A HN 0.343 nan 8.150 nan 0.000 0.482 367 S N -0.412 115.424 115.700 0.226 0.000 2.593 367 S HA 0.190 4.660 4.470 0.000 0.000 0.217 367 S C 0.396 175.148 174.600 0.254 0.000 0.966 367 S CA 0.249 58.657 58.200 0.347 0.000 0.914 367 S CB -0.565 62.795 63.200 0.266 0.000 0.776 367 S HN 0.842 nan 8.310 nan 0.000 0.523 368 H N -2.141 117.129 119.070 0.333 0.000 3.014 368 H HA 0.806 5.362 4.556 0.000 0.000 0.337 368 H C -1.012 174.551 175.328 0.392 0.000 1.320 368 H CA -0.678 55.481 56.048 0.185 0.000 1.128 368 H CB 1.059 30.867 29.762 0.076 0.000 1.862 368 H HN 0.077 nan 8.280 nan 0.000 0.536 369 S N -0.013 115.998 115.700 0.519 0.000 2.550 369 S HA 0.363 4.833 4.470 0.000 0.000 0.270 369 S C -2.375 172.499 174.600 0.456 0.000 1.145 369 S CA -1.451 57.044 58.200 0.492 0.000 0.852 369 S CB 1.436 64.998 63.200 0.604 0.000 1.119 369 S HN 0.519 nan 8.310 nan 0.000 0.465 370 P HA -0.033 nan 4.420 nan 0.000 0.220 370 P C 1.219 178.637 177.300 0.196 0.000 1.148 370 P CA 0.597 63.839 63.100 0.236 0.000 0.803 370 P CB -0.024 31.782 31.700 0.178 0.000 0.782 371 W N -0.712 120.647 121.300 0.098 0.000 2.387 371 W HA -0.062 4.598 4.660 0.000 0.000 0.272 371 W C -0.130 176.134 176.519 -0.425 0.000 1.224 371 W CA 1.228 58.494 57.345 -0.131 0.000 1.210 371 W CB -0.176 29.226 29.460 -0.095 0.000 1.125 371 W HN -0.041 nan 8.180 nan 0.000 0.572 372 F N 0.691 120.770 119.950 0.214 0.000 2.818 372 F HA 0.167 4.694 4.527 0.000 0.000 0.369 372 F C 1.043 176.907 175.800 0.107 0.000 1.327 372 F CA -0.235 57.795 58.000 0.050 0.000 1.211 372 F CB -0.390 38.419 39.000 -0.318 0.000 1.036 372 F HN -0.296 nan 8.300 nan 0.000 0.510 373 S N 0.293 116.111 115.700 0.197 0.000 3.477 373 S HA -0.298 4.173 4.470 0.000 0.000 0.357 373 S C 0.236 174.936 174.600 0.166 0.000 1.083 373 S CA 0.942 59.233 58.200 0.153 0.000 1.042 373 S CB -1.403 61.878 63.200 0.135 0.000 0.911 373 S HN 0.719 nan 8.310 nan 0.000 0.490 374 D N -0.493 120.046 120.400 0.230 0.000 2.751 374 D HA -0.158 4.482 4.640 0.000 0.000 0.233 374 D C 0.170 176.523 176.300 0.088 0.000 1.149 374 D CA 0.918 55.052 54.000 0.222 0.000 0.682 374 D CB -0.308 40.582 40.800 0.151 0.000 1.068 374 D HN 0.453 nan 8.370 nan 0.000 0.429 375 R N 0.661 121.248 120.500 0.144 0.000 2.389 375 R HA 0.248 4.588 4.340 0.000 0.000 0.295 375 R C 0.643 176.949 176.300 0.009 0.000 1.075 375 R CA -0.472 55.681 56.100 0.088 0.000 1.005 375 R CB 0.374 30.826 30.300 0.252 0.000 0.987 375 R HN -0.020 nan 8.270 nan 0.000 0.452 376 R N 2.333 122.799 120.500 -0.056 0.000 2.458 376 R HA 0.078 4.418 4.340 0.000 0.000 0.303 376 R C 0.175 176.384 176.300 -0.151 0.000 1.013 376 R CA 0.254 56.312 56.100 -0.071 0.000 1.026 376 R CB 0.215 30.474 30.300 -0.069 0.000 0.948 376 R HN 0.357 nan 8.270 nan 0.000 0.417 377 M N 4.429 123.841 119.600 -0.313 0.000 2.143 377 M HA 0.221 4.701 4.480 0.000 0.000 0.348 377 M C -0.118 176.044 176.300 -0.230 0.000 1.375 377 M CA -0.429 54.595 55.300 -0.460 0.000 1.124 377 M CB 0.345 32.153 32.600 -1.321 0.000 1.669 377 M HN 0.378 nan 8.290 nan 0.000 0.469 378 V N 2.099 121.974 119.914 -0.065 0.000 3.141 378 V HA 0.719 4.839 4.120 0.000 0.000 0.312 378 V C -0.700 175.490 176.094 0.160 0.000 1.157 378 V CA -1.084 61.240 62.300 0.041 0.000 1.041 378 V CB 2.419 34.267 31.823 0.043 0.000 1.071 378 V HN 0.778 nan 8.190 nan 0.000 0.441 379 N N 0.015 118.823 118.700 0.180 0.000 2.430 379 N HA 0.814 5.554 4.740 0.000 0.000 0.298 379 N C -0.785 174.855 175.510 0.216 0.000 1.130 379 N CA -0.372 52.815 53.050 0.228 0.000 0.894 379 N CB 2.044 40.653 38.487 0.204 0.000 1.209 379 N HN 0.961 nan 8.380 nan 0.000 0.503 380 S N 0.527 116.352 115.700 0.209 0.000 2.632 380 S HA 0.561 5.032 4.470 0.000 0.000 0.289 380 S C -1.156 173.519 174.600 0.126 0.000 1.115 380 S CA -0.696 57.609 58.200 0.175 0.000 0.889 380 S CB 1.288 64.563 63.200 0.126 0.000 1.116 380 S HN 0.292 nan 8.310 nan 0.000 0.486 381 I N 2.127 122.764 120.570 0.111 0.000 2.355 381 I HA 0.416 4.587 4.170 0.000 0.000 0.288 381 I C -0.894 175.241 176.117 0.030 0.000 0.999 381 I CA -0.600 60.742 61.300 0.069 0.000 1.163 381 I CB 0.982 39.008 38.000 0.043 0.000 1.316 381 I HN 0.583 nan 8.210 nan 0.000 0.454 382 I N 7.214 127.795 120.570 0.018 0.000 2.337 382 I HA 0.277 4.447 4.170 0.000 0.000 0.285 382 I C -0.112 176.002 176.117 -0.004 0.000 1.041 382 I CA -0.673 60.597 61.300 -0.049 0.000 1.199 382 I CB 1.380 39.343 38.000 -0.063 0.000 1.370 382 I HN 0.108 nan 8.210 nan 0.000 0.470 383 V N 7.252 127.129 119.914 -0.062 0.000 2.465 383 V HA 0.235 4.355 4.120 0.000 0.000 0.279 383 V C 0.298 176.378 176.094 -0.023 0.000 1.045 383 V CA -0.633 61.643 62.300 -0.040 0.000 0.938 383 V CB 1.694 33.468 31.823 -0.081 0.000 0.986 383 V HN 0.360 nan 8.190 nan 0.000 0.467 384 V N 4.345 124.282 119.914 0.037 0.000 2.364 384 V HA 0.343 4.464 4.120 0.000 0.000 0.272 384 V C -0.256 175.890 176.094 0.087 0.000 1.036 384 V CA -0.577 61.764 62.300 0.068 0.000 0.880 384 V CB 1.263 33.195 31.823 0.181 0.000 0.991 384 V HN 0.793 nan 8.190 nan 0.000 0.460 385 D N 5.075 125.525 120.400 0.082 0.000 2.233 385 D HA 0.547 5.187 4.640 0.000 0.000 0.240 385 D C 0.267 176.644 176.300 0.129 0.000 1.074 385 D CA -0.180 53.879 54.000 0.099 0.000 0.838 385 D CB 2.399 43.249 40.800 0.084 0.000 1.124 385 D HN 0.639 nan 8.370 nan 0.000 0.475 386 K N 0.814 121.294 120.400 0.134 0.000 1.741 386 K HA 0.229 4.549 4.320 0.000 0.000 0.304 386 K C 1.030 177.704 176.600 0.124 0.000 1.040 386 K CA 0.426 56.798 56.287 0.142 0.000 0.487 386 K CB -0.325 32.294 32.500 0.198 0.000 3.268 386 K HN 0.465 nan 8.250 nan 0.000 1.149 387 G N 2.083 110.973 108.800 0.149 0.000 2.793 387 G HA2 -0.438 3.522 3.960 0.000 0.000 0.334 387 G HA3 -0.438 3.522 3.960 0.000 0.000 0.334 387 G C 1.089 176.040 174.900 0.086 0.000 1.186 387 G CA 2.014 47.189 45.100 0.125 0.000 0.960 387 G HN 0.828 nan 8.290 nan 0.000 0.562 388 L N -0.607 120.659 121.223 0.072 0.000 2.123 388 L HA -0.041 4.299 4.340 0.000 0.000 0.217 388 L C 1.813 178.710 176.870 0.044 0.000 1.081 388 L CA 3.485 58.357 54.840 0.053 0.000 0.772 388 L CB -0.427 41.660 42.059 0.047 0.000 0.890 388 L HN 0.819 nan 8.230 nan 0.000 0.437 389 N N -1.949 116.778 118.700 0.046 0.000 2.996 389 N HA 0.068 4.808 4.740 0.000 0.000 0.319 389 N C 0.408 175.938 175.510 0.034 0.000 1.045 389 N CA 0.459 53.530 53.050 0.035 0.000 1.512 389 N CB 0.339 38.844 38.487 0.030 0.000 0.896 389 N HN 0.353 nan 8.380 nan 0.000 1.366 390 S N 1.275 116.997 115.700 0.036 0.000 2.602 390 S HA 0.332 4.802 4.470 0.000 0.000 0.257 390 S C 0.450 175.075 174.600 0.041 0.000 1.250 390 S CA -0.401 57.818 58.200 0.032 0.000 0.986 390 S CB 0.342 63.561 63.200 0.031 0.000 1.040 390 S HN 0.265 nan 8.310 nan 0.000 0.562 391 I N 2.828 123.419 120.570 0.034 0.000 2.813 391 I HA 0.161 4.331 4.170 0.000 0.000 0.287 391 I C -2.019 174.154 176.117 0.093 0.000 1.196 391 I CA -1.405 59.917 61.300 0.038 0.000 1.421 391 I CB -0.586 37.415 38.000 0.001 0.000 1.365 391 I HN 0.349 nan 8.210 nan 0.000 0.591 392 P HA 0.370 nan 4.420 nan 0.000 0.276 392 P C -1.272 176.235 177.300 0.345 0.000 1.252 392 P CA -0.700 62.544 63.100 0.240 0.000 0.802 392 P CB 0.662 32.549 31.700 0.312 0.000 1.035 393 K N 0.605 121.154 120.400 0.249 0.000 2.435 393 K HA 0.587 4.907 4.320 0.000 0.000 0.251 393 K C -0.956 175.580 176.600 -0.106 0.000 0.954 393 K CA -0.766 55.633 56.287 0.187 0.000 0.820 393 K CB 1.848 34.408 32.500 0.100 0.000 1.292 393 K HN 0.327 nan 8.250 nan 0.000 0.436 394 L N 2.190 123.181 121.223 -0.387 0.000 2.329 394 L HA 0.504 4.845 4.340 0.000 0.000 0.279 394 L C -0.513 176.108 176.870 -0.415 0.000 1.014 394 L CA -0.823 53.701 54.840 -0.527 0.000 0.814 394 L CB 1.578 43.085 42.059 -0.919 0.000 1.257 394 L HN 0.414 nan 8.230 nan 0.000 0.424 395 K N 2.581 122.776 120.400 -0.343 0.000 2.376 395 K HA 0.554 4.874 4.320 0.000 0.000 0.257 395 K C -1.267 175.044 176.600 -0.482 0.000 0.939 395 K CA -0.636 55.416 56.287 -0.390 0.000 0.809 395 K CB 2.788 35.184 32.500 -0.174 0.000 1.121 395 K HN 0.242 nan 8.250 nan 0.000 0.425 396 V N 3.285 122.786 119.914 -0.688 0.000 2.370 396 V HA 0.363 4.483 4.120 0.000 0.000 0.279 396 V C -1.010 174.759 176.094 -0.541 0.000 1.029 396 V CA -0.767 61.197 62.300 -0.561 0.000 0.870 396 V CB 0.485 31.885 31.823 -0.706 0.000 0.984 396 V HN 0.664 nan 8.190 nan 0.000 0.451 397 W N 2.131 123.368 121.300 -0.105 0.000 2.587 397 W HA 0.561 5.221 4.660 0.000 0.000 0.324 397 W C 0.305 176.867 176.519 0.071 0.000 1.040 397 W CA -0.526 56.815 57.345 -0.007 0.000 1.222 397 W CB 1.740 31.163 29.460 -0.062 0.000 1.381 397 W HN 0.380 nan 8.180 nan 0.000 0.483 398 T N 4.636 119.399 114.554 0.348 0.000 2.780 398 T HA 0.379 4.730 4.350 0.000 0.000 0.294 398 T C 0.146 174.979 174.700 0.221 0.000 0.949 398 T CA -0.418 61.855 62.100 0.289 0.000 1.074 398 T CB 0.331 69.338 68.868 0.231 0.000 0.910 398 T HN 0.125 nan 8.240 nan 0.000 0.501 399 I N 2.933 123.610 120.570 0.178 0.000 2.396 399 I HA 0.116 4.286 4.170 0.000 0.000 0.289 399 I C 1.158 177.334 176.117 0.099 0.000 1.056 399 I CA -0.350 61.025 61.300 0.124 0.000 1.365 399 I CB 0.885 38.950 38.000 0.108 0.000 1.407 399 I HN 0.575 nan 8.210 nan 0.000 0.509 400 S N 6.003 121.750 115.700 0.079 0.000 2.558 400 S HA 0.011 4.481 4.470 0.000 0.000 0.293 400 S C 1.235 175.864 174.600 0.049 0.000 1.292 400 S CA -0.146 58.090 58.200 0.060 0.000 1.063 400 S CB 0.499 63.727 63.200 0.047 0.000 0.831 400 S HN 0.644 nan 8.310 nan 0.000 0.499 401 M N 3.845 123.471 119.600 0.043 0.000 2.460 401 M HA -0.039 4.441 4.480 0.000 0.000 0.263 401 M C 2.051 178.366 176.300 0.024 0.000 1.071 401 M CA 1.108 56.431 55.300 0.039 0.000 1.096 401 M CB -0.146 32.483 32.600 0.049 0.000 1.408 401 M HN 0.675 nan 8.290 nan 0.000 0.463 402 R N -0.366 120.149 120.500 0.025 0.000 2.148 402 R HA -0.067 4.273 4.340 0.000 0.000 0.223 402 R C 1.785 178.085 176.300 -0.000 0.000 1.088 402 R CA 0.754 56.864 56.100 0.017 0.000 0.985 402 R CB -0.017 30.296 30.300 0.023 0.000 0.880 402 R HN 0.402 nan 8.270 nan 0.000 0.451 403 Q N -0.179 119.626 119.800 0.007 0.000 2.384 403 Q HA 0.131 4.471 4.340 0.000 0.000 0.207 403 Q C -0.241 175.807 176.000 0.080 0.000 0.904 403 Q CA 0.304 56.117 55.803 0.016 0.000 0.933 403 Q CB 0.549 29.282 28.738 -0.009 0.000 1.077 403 Q HN 0.109 nan 8.270 nan 0.000 0.522 404 N N -0.772 117.940 118.700 0.019 0.000 2.329 404 N HA 0.228 4.968 4.740 0.000 0.000 0.282 404 N C -1.432 173.996 175.510 -0.137 0.000 1.198 404 N CA -0.439 52.643 53.050 0.054 0.000 0.790 404 N CB 0.960 39.557 38.487 0.184 0.000 1.579 404 N HN -0.212 nan 8.380 nan 0.000 0.475 405 Y N 0.056 120.341 120.300 -0.024 0.000 2.240 405 Y HA 0.173 4.723 4.550 0.000 0.000 0.341 405 Y C 0.721 176.646 175.900 0.042 0.000 1.326 405 Y CA -0.231 57.798 58.100 -0.117 0.000 1.569 405 Y CB 0.283 38.499 38.460 -0.407 0.000 1.426 405 Y HN 0.392 nan 8.280 nan 0.000 0.587 406 W N 2.476 123.805 121.300 0.049 0.000 2.580 406 W HA -0.059 4.601 4.660 0.000 0.000 0.337 406 W C 0.239 176.778 176.519 0.033 0.000 1.088 406 W CA 0.345 57.704 57.345 0.024 0.000 1.189 406 W CB 0.024 29.458 29.460 -0.043 0.000 1.131 406 W HN 0.654 nan 8.180 nan 0.000 0.563 407 G N 5.596 114.332 108.800 -0.108 0.000 2.272 407 G HA2 0.316 4.277 3.960 0.000 0.000 0.247 407 G HA3 0.316 4.277 3.960 0.000 0.000 0.247 407 G C -0.363 174.632 174.900 0.158 0.000 1.272 407 G CA 0.458 45.592 45.100 0.057 0.000 0.921 407 G HN 0.711 nan 8.290 nan 0.000 0.495 408 S N 1.246 116.999 115.700 0.088 0.000 2.752 408 S HA 0.486 4.956 4.470 0.000 0.000 0.284 408 S C -0.509 173.737 174.600 -0.590 0.000 1.189 408 S CA -1.117 56.913 58.200 -0.284 0.000 0.835 408 S CB 1.371 64.533 63.200 -0.062 0.000 1.192 408 S HN 0.631 nan 8.310 nan 0.000 0.506 409 E N -0.153 119.574 120.200 -0.789 0.000 2.459 409 E HA 0.449 4.799 4.350 0.000 0.000 0.264 409 E C 0.464 177.108 176.600 0.073 0.000 1.055 409 E CA 0.636 56.862 56.400 -0.289 0.000 0.957 409 E CB 0.195 29.903 29.700 0.014 0.000 0.952 409 E HN 0.910 nan 8.360 nan 0.000 0.448 410 G N 0.847 109.836 108.800 0.314 0.000 2.341 410 G HA2 0.461 4.421 3.960 0.000 0.000 0.299 410 G HA3 0.461 4.421 3.960 0.000 0.000 0.299 410 G C -1.553 173.619 174.900 0.453 0.000 1.274 410 G CA -0.744 44.584 45.100 0.380 0.000 0.853 410 G HN 0.599 nan 8.290 nan 0.000 0.493 411 R N -1.383 119.346 120.500 0.382 0.000 2.716 411 R HA 0.760 5.100 4.340 0.000 0.000 0.271 411 R C -1.826 174.595 176.300 0.202 0.000 1.028 411 R CA -0.991 55.288 56.100 0.298 0.000 0.883 411 R CB 0.992 31.483 30.300 0.319 0.000 1.250 411 R HN 0.526 nan 8.270 nan 0.000 0.465 412 L N 1.868 123.176 121.223 0.141 0.000 2.342 412 L HA 0.641 4.981 4.340 0.000 0.000 0.271 412 L C -0.800 176.105 176.870 0.058 0.000 1.008 412 L CA -1.194 53.690 54.840 0.075 0.000 0.818 412 L CB 2.013 44.086 42.059 0.024 0.000 1.296 412 L HN 0.454 nan 8.230 nan 0.000 0.427 413 L N 3.740 124.990 121.223 0.045 0.000 2.482 413 L HA 0.396 4.736 4.340 0.000 0.000 0.269 413 L C -1.115 175.800 176.870 0.074 0.000 0.967 413 L CA -0.516 54.347 54.840 0.038 0.000 0.851 413 L CB 2.370 44.384 42.059 -0.075 0.000 1.242 413 L HN 0.359 nan 8.230 nan 0.000 0.404 414 L N 5.611 126.868 121.223 0.057 0.000 2.255 414 L HA 0.630 4.970 4.340 0.000 0.000 0.289 414 L C -1.218 175.719 176.870 0.113 0.000 1.046 414 L CA 0.216 55.086 54.840 0.051 0.000 0.816 414 L CB 0.687 42.768 42.059 0.037 0.000 1.197 414 L HN 0.453 nan 8.230 nan 0.000 0.427 415 L N 5.953 127.272 121.223 0.161 0.000 2.436 415 L HA 0.758 5.098 4.340 0.000 0.000 0.268 415 L C 0.827 177.807 176.870 0.185 0.000 0.974 415 L CA -0.326 54.628 54.840 0.190 0.000 0.826 415 L CB 1.658 43.847 42.059 0.217 0.000 1.291 415 L HN 0.879 nan 8.230 nan 0.000 0.406 416 G N 3.118 112.007 108.800 0.149 0.000 2.574 416 G HA2 -0.369 3.592 3.960 0.000 0.000 0.286 416 G HA3 -0.369 3.592 3.960 0.000 0.000 0.286 416 G C 0.362 175.314 174.900 0.087 0.000 1.212 416 G CA 0.652 45.826 45.100 0.122 0.000 0.979 416 G HN 1.002 nan 8.290 nan 0.000 0.557 417 N N 0.277 119.013 118.700 0.061 0.000 2.280 417 N HA 0.191 4.931 4.740 0.000 0.000 0.192 417 N C 0.310 175.816 175.510 -0.007 0.000 1.109 417 N CA 0.151 53.226 53.050 0.041 0.000 0.855 417 N CB 0.281 38.784 38.487 0.027 0.000 0.974 417 N HN 0.597 nan 8.380 nan 0.000 0.482 418 K N 1.074 121.441 120.400 -0.054 0.000 2.203 418 K HA 0.487 4.808 4.320 0.000 0.000 0.251 418 K C -0.791 175.650 176.600 -0.263 0.000 0.944 418 K CA -0.637 55.514 56.287 -0.226 0.000 0.829 418 K CB 2.422 34.669 32.500 -0.422 0.000 1.125 418 K HN -0.022 nan 8.250 nan 0.000 0.430 419 I N 3.043 123.389 120.570 -0.373 0.000 2.354 419 I HA 0.224 4.394 4.170 0.000 0.000 0.286 419 I C -0.976 174.937 176.117 -0.340 0.000 1.007 419 I CA -0.833 60.288 61.300 -0.299 0.000 1.167 419 I CB 0.458 38.238 38.000 -0.367 0.000 1.320 419 I HN 0.436 nan 8.210 nan 0.000 0.458 420 Y N 6.504 126.724 120.300 -0.134 0.000 2.304 420 Y HA 0.493 5.043 4.550 0.000 0.000 0.328 420 Y C 0.184 176.029 175.900 -0.090 0.000 1.123 420 Y CA -0.396 57.633 58.100 -0.118 0.000 1.218 420 Y CB 1.311 39.696 38.460 -0.125 0.000 1.207 420 Y HN 0.446 nan 8.280 nan 0.000 0.495 421 I N 4.191 124.788 120.570 0.045 0.000 2.474 421 I HA 0.435 4.605 4.170 0.000 0.000 0.294 421 I C -1.786 174.456 176.117 0.208 0.000 1.005 421 I CA -1.031 60.305 61.300 0.059 0.000 1.113 421 I CB 1.381 39.330 38.000 -0.084 0.000 1.289 421 I HN 0.672 nan 8.210 nan 0.000 0.436 422 Y N 6.324 126.692 120.300 0.113 0.000 2.425 422 Y HA 0.675 5.225 4.550 0.000 0.000 0.344 422 Y C -0.954 175.006 175.900 0.101 0.000 0.969 422 Y CA -0.388 57.780 58.100 0.113 0.000 1.052 422 Y CB 1.837 40.275 38.460 -0.036 0.000 1.215 422 Y HN 0.638 nan 8.280 nan 0.000 0.451 423 T N 3.755 117.778 114.554 -0.886 0.000 2.893 423 T HA 0.424 4.774 4.350 0.000 0.000 0.293 423 T C -0.759 173.174 174.700 -1.278 0.000 1.027 423 T CA -1.142 60.492 62.100 -0.777 0.000 0.988 423 T CB 1.618 70.371 68.868 -0.191 0.000 1.043 423 T HN 0.956 nan 8.240 nan 0.000 0.461 424 R N 1.630 121.644 120.500 -0.809 0.000 2.640 424 R HA 0.218 4.558 4.340 0.000 0.000 0.270 424 R C -0.404 175.652 176.300 -0.408 0.000 1.024 424 R CA -0.046 55.755 56.100 -0.498 0.000 1.085 424 R CB 0.120 30.312 30.300 -0.180 0.000 0.963 424 R HN 0.647 nan 8.270 nan 0.000 0.426 425 S N 3.135 118.615 115.700 -0.368 0.000 3.940 425 S HA 0.040 4.510 4.470 0.000 0.000 0.210 425 S C 0.608 175.014 174.600 -0.323 0.000 1.419 425 S CA -0.433 57.536 58.200 -0.385 0.000 0.912 425 S CB 0.841 63.782 63.200 -0.433 0.000 1.489 425 S HN 0.704 nan 8.310 nan 0.000 0.469 426 T N 1.072 115.456 114.554 -0.284 0.000 2.929 426 T HA -0.028 4.322 4.350 0.000 0.000 0.271 426 T C 1.242 175.657 174.700 -0.475 0.000 1.085 426 T CA 0.984 62.896 62.100 -0.313 0.000 1.125 426 T CB 0.138 68.865 68.868 -0.234 0.000 0.874 426 T HN 0.448 nan 8.240 nan 0.000 0.494 427 S N -1.074 114.332 115.700 -0.490 0.000 2.993 427 S HA 0.323 4.793 4.470 0.000 0.000 0.281 427 S C 0.829 175.253 174.600 -0.293 0.000 1.033 427 S CA -0.483 57.428 58.200 -0.482 0.000 0.950 427 S CB -0.007 62.860 63.200 -0.555 0.000 1.349 427 S HN 0.561 nan 8.310 nan 0.000 0.652 428 W N 1.870 123.083 121.300 -0.145 0.000 2.350 428 W HA -0.073 4.587 4.660 0.000 0.000 0.289 428 W C 0.892 177.418 176.519 0.011 0.000 1.215 428 W CA 1.065 58.419 57.345 0.015 0.000 1.236 428 W CB -1.193 28.324 29.460 0.096 0.000 1.130 428 W HN 0.633 nan 8.180 nan 0.000 0.541 429 H N 2.902 121.412 119.070 -0.934 0.000 3.092 429 H HA 0.117 4.673 4.556 0.000 0.000 0.263 429 H C 1.481 176.389 175.328 -0.700 0.000 1.611 429 H CA 0.879 56.320 56.048 -1.012 0.000 1.457 429 H CB 0.568 29.210 29.762 -1.866 0.000 1.731 429 H HN 0.113 nan 8.280 nan 0.000 0.532 430 S N 3.156 118.512 115.700 -0.573 0.000 2.453 430 S HA -0.016 4.455 4.470 0.000 0.000 0.231 430 S C 0.724 174.940 174.600 -0.641 0.000 1.005 430 S CA 0.084 57.983 58.200 -0.502 0.000 0.949 430 S CB 0.271 63.291 63.200 -0.301 0.000 0.774 430 S HN 0.465 nan 8.310 nan 0.000 0.510 431 K N 0.843 120.762 120.400 -0.802 0.000 2.168 431 K HA 0.317 4.637 4.320 0.000 0.000 0.258 431 K C -0.235 176.037 176.600 -0.545 0.000 1.010 431 K CA -0.805 55.079 56.287 -0.671 0.000 0.929 431 K CB 0.306 32.458 32.500 -0.581 0.000 0.998 431 K HN 0.214 nan 8.250 nan 0.000 0.479 432 L N 2.027 122.993 121.223 -0.428 0.000 2.653 432 L HA -0.169 4.171 4.340 0.000 0.000 0.288 432 L C -0.517 176.236 176.870 -0.194 0.000 1.243 432 L CA 1.376 56.031 54.840 -0.308 0.000 0.906 432 L CB -0.038 41.776 42.059 -0.408 0.000 1.154 432 L HN 0.481 nan 8.230 nan 0.000 0.498 433 Q N 5.182 124.867 119.800 -0.192 0.000 2.560 433 Q HA 0.465 4.805 4.340 0.000 0.000 0.238 433 Q C -1.369 174.782 176.000 0.251 0.000 1.079 433 Q CA -0.461 55.193 55.803 -0.248 0.000 0.866 433 Q CB 1.264 29.564 28.738 -0.729 0.000 1.153 433 Q HN 0.540 nan 8.270 nan 0.000 0.530 434 L N 1.153 122.664 121.223 0.479 0.000 2.362 434 L HA 0.907 5.247 4.340 0.000 0.000 0.275 434 L C -0.410 176.780 176.870 0.532 0.000 0.998 434 L CA -0.091 55.044 54.840 0.492 0.000 0.820 434 L CB 1.897 44.127 42.059 0.285 0.000 1.270 434 L HN 0.453 nan 8.230 nan 0.000 0.415 435 G N 4.318 113.279 108.800 0.268 0.000 2.606 435 G HA2 0.480 4.440 3.960 0.000 0.000 0.300 435 G HA3 0.480 4.440 3.960 0.000 0.000 0.300 435 G C -1.855 172.949 174.900 -0.159 0.000 1.360 435 G CA -0.673 44.423 45.100 -0.005 0.000 0.783 435 G HN 0.348 nan 8.290 nan 0.000 0.484 436 I N 1.371 121.777 120.570 -0.274 0.000 2.330 436 I HA 0.425 4.596 4.170 0.000 0.000 0.289 436 I C -0.060 175.841 176.117 -0.360 0.000 1.001 436 I CA -0.539 60.550 61.300 -0.352 0.000 1.193 436 I CB 0.943 38.752 38.000 -0.318 0.000 1.345 436 I HN 0.436 nan 8.210 nan 0.000 0.461 437 I N 5.764 126.128 120.570 -0.343 0.000 2.428 437 I HA 0.307 4.477 4.170 0.000 0.000 0.296 437 I C -0.517 175.447 176.117 -0.256 0.000 0.985 437 I CA -0.161 60.958 61.300 -0.303 0.000 1.260 437 I CB 1.545 39.389 38.000 -0.260 0.000 1.389 437 I HN 0.483 nan 8.210 nan 0.000 0.484 438 D N 7.604 127.881 120.400 -0.204 0.000 2.453 438 D HA 0.250 4.890 4.640 0.000 0.000 0.238 438 D C 0.239 176.465 176.300 -0.124 0.000 1.088 438 D CA -0.447 53.454 54.000 -0.165 0.000 0.854 438 D CB 1.096 41.815 40.800 -0.135 0.000 1.076 438 D HN 0.528 nan 8.370 nan 0.000 0.533 439 I N 0.700 121.203 120.570 -0.112 0.000 3.914 439 I HA 0.169 4.339 4.170 0.000 0.000 0.333 439 I C 1.007 177.091 176.117 -0.055 0.000 1.449 439 I CA -0.448 60.837 61.300 -0.024 0.000 1.135 439 I CB 0.187 38.222 38.000 0.059 0.000 1.073 439 I HN 0.026 nan 8.210 nan 0.000 0.401 440 T N 1.143 115.644 114.554 -0.089 0.000 2.721 440 T HA -0.214 4.136 4.350 0.000 0.000 0.268 440 T C 0.586 175.111 174.700 -0.292 0.000 1.038 440 T CA 1.941 63.952 62.100 -0.147 0.000 1.145 440 T CB -0.381 68.426 68.868 -0.101 0.000 0.858 440 T HN 0.560 nan 8.240 nan 0.000 0.459 441 D N -0.713 119.535 120.400 -0.253 0.000 2.462 441 D HA 0.228 4.868 4.640 0.000 0.000 0.245 441 D C 0.382 176.508 176.300 -0.290 0.000 1.122 441 D CA -0.661 53.151 54.000 -0.312 0.000 0.864 441 D CB 0.355 41.042 40.800 -0.189 0.000 1.098 441 D HN 0.302 nan 8.370 nan 0.000 0.541 442 Y N 1.656 121.635 120.300 -0.535 0.000 2.384 442 Y HA -0.208 4.343 4.550 0.000 0.000 0.289 442 Y C 2.335 177.859 175.900 -0.627 0.000 1.152 442 Y CA 0.785 58.370 58.100 -0.858 0.000 1.258 442 Y CB 0.185 37.472 38.460 -1.956 0.000 0.979 442 Y HN 0.423 nan 8.280 nan 0.000 0.549 443 S N -1.500 114.021 115.700 -0.297 0.000 2.575 443 S HA -0.014 4.456 4.470 0.000 0.000 0.215 443 S C 0.212 174.849 174.600 0.062 0.000 0.966 443 S CA 0.358 58.591 58.200 0.055 0.000 0.911 443 S CB 0.203 63.476 63.200 0.121 0.000 0.780 443 S HN 0.299 nan 8.310 nan 0.000 0.514 444 D N 0.748 121.141 120.400 -0.011 0.000 2.849 444 D HA 0.355 4.995 4.640 0.000 0.000 0.314 444 D C -0.871 175.417 176.300 -0.021 0.000 1.210 444 D CA -0.419 53.579 54.000 -0.003 0.000 0.756 444 D CB -0.065 40.721 40.800 -0.023 0.000 1.222 444 D HN 0.294 nan 8.370 nan 0.000 0.521 445 I N 1.798 122.371 120.570 0.005 0.000 2.556 445 I HA 0.203 4.374 4.170 0.000 0.000 0.284 445 I C 0.706 176.799 176.117 -0.040 0.000 1.114 445 I CA 0.016 61.307 61.300 -0.015 0.000 1.418 445 I CB 0.415 38.427 38.000 0.020 0.000 1.394 445 I HN -0.063 nan 8.210 nan 0.000 0.552 446 R N 7.184 127.636 120.500 -0.080 0.000 2.637 446 R HA 0.703 5.044 4.340 0.000 0.000 0.291 446 R C -0.900 175.293 176.300 -0.179 0.000 0.963 446 R CA -0.862 55.175 56.100 -0.105 0.000 0.901 446 R CB 2.087 32.331 30.300 -0.093 0.000 1.160 446 R HN 0.545 nan 8.270 nan 0.000 0.457 447 I N 1.744 122.174 120.570 -0.233 0.000 2.533 447 I HA 0.272 4.442 4.170 0.000 0.000 0.290 447 I C -0.375 175.494 176.117 -0.413 0.000 1.056 447 I CA -1.035 60.005 61.300 -0.432 0.000 1.057 447 I CB 2.372 39.938 38.000 -0.724 0.000 1.240 447 I HN 0.184 nan 8.210 nan 0.000 0.423 448 K N 6.192 126.356 120.400 -0.393 0.000 2.389 448 K HA 0.333 4.653 4.320 0.000 0.000 0.261 448 K C -1.727 174.756 176.600 -0.195 0.000 1.014 448 K CA -0.290 55.874 56.287 -0.205 0.000 0.920 448 K CB 0.470 32.900 32.500 -0.117 0.000 1.149 448 K HN 0.339 nan 8.250 nan 0.000 0.444 449 W N 3.026 124.355 121.300 0.050 0.000 2.238 449 W HA 0.214 4.874 4.660 0.000 0.000 0.321 449 W C 0.193 176.793 176.519 0.135 0.000 1.293 449 W CA -0.542 56.864 57.345 0.102 0.000 1.204 449 W CB 1.165 30.711 29.460 0.143 0.000 1.167 449 W HN 0.354 nan 8.180 nan 0.000 0.553 450 T N 3.534 118.334 114.554 0.410 0.000 2.761 450 T HA -0.033 4.317 4.350 0.000 0.000 0.296 450 T C -0.518 174.354 174.700 0.287 0.000 0.934 450 T CA -0.449 61.821 62.100 0.282 0.000 1.091 450 T CB 0.006 69.009 68.868 0.226 0.000 0.896 450 T HN 0.322 nan 8.240 nan 0.000 0.515 451 W N 5.277 126.619 121.300 0.071 0.000 2.295 451 W HA 0.056 4.716 4.660 0.000 0.000 0.335 451 W C -0.092 176.349 176.519 -0.131 0.000 1.351 451 W CA 0.275 57.640 57.345 0.034 0.000 1.273 451 W CB 0.021 29.491 29.460 0.016 0.000 1.214 451 W HN 0.581 nan 8.180 nan 0.000 0.563 452 H N 5.443 124.044 119.070 -0.782 0.000 2.840 452 H HA 0.082 4.638 4.556 0.000 0.000 0.340 452 H C 0.120 174.820 175.328 -1.047 0.000 1.004 452 H CA -0.456 55.128 56.048 -0.773 0.000 1.288 452 H CB 1.698 31.236 29.762 -0.372 0.000 1.607 452 H HN 0.517 nan 8.280 nan 0.000 0.522 453 N N 1.887 119.967 118.700 -1.034 0.000 2.415 453 N HA -0.074 4.666 4.740 0.000 0.000 0.174 453 N C 1.592 176.935 175.510 -0.278 0.000 1.048 453 N CA 0.846 53.479 53.050 -0.695 0.000 0.895 453 N CB 0.724 38.809 38.487 -0.669 0.000 1.036 453 N HN 0.388 nan 8.380 nan 0.000 0.449 454 V N -1.683 118.119 119.914 -0.187 0.000 2.672 454 V HA 0.338 4.459 4.120 0.000 0.000 0.242 454 V C 0.883 176.953 176.094 -0.040 0.000 1.059 454 V CA 0.173 62.450 62.300 -0.038 0.000 1.081 454 V CB -0.498 31.340 31.823 0.026 0.000 0.752 454 V HN -0.055 nan 8.190 nan 0.000 0.472 455 L N 1.723 122.852 121.223 -0.157 0.000 2.380 455 L HA 0.577 4.917 4.340 0.000 0.000 0.273 455 L C 0.384 176.877 176.870 -0.628 0.000 1.138 455 L CA 0.778 55.443 54.840 -0.292 0.000 0.832 455 L CB 1.132 43.014 42.059 -0.294 0.000 1.124 455 L HN 0.453 nan 8.230 nan 0.000 0.454 456 S N 2.039 117.028 115.700 -1.185 0.000 3.888 456 S HA 0.720 5.190 4.470 0.000 0.000 0.307 456 S C -1.609 172.236 174.600 -1.257 0.000 1.122 456 S CA -0.648 56.739 58.200 -1.354 0.000 1.197 456 S CB 1.459 63.593 63.200 -1.777 0.000 1.533 456 S HN 0.740 nan 8.310 nan 0.000 0.696 457 R N 0.831 120.754 120.500 -0.961 0.000 2.690 457 R HA 0.471 4.811 4.340 0.000 0.000 0.269 457 R C -3.552 172.792 176.300 0.073 0.000 1.037 457 R CA -1.632 54.316 56.100 -0.253 0.000 0.877 457 R CB 0.423 30.597 30.300 -0.210 0.000 1.255 457 R HN 0.491 nan 8.270 nan 0.000 0.467 458 P HA 0.251 nan 4.420 nan 0.000 0.271 458 P C -0.382 176.938 177.300 0.033 0.000 1.216 458 P CA 0.259 63.457 63.100 0.163 0.000 0.776 458 P CB 1.370 33.139 31.700 0.115 0.000 0.881 459 G N 2.567 111.371 108.800 0.007 0.000 3.340 459 G HA2 0.434 4.394 3.960 0.000 0.000 0.176 459 G HA3 0.434 4.394 3.960 0.000 0.000 0.176 459 G C -0.461 174.400 174.900 -0.065 0.000 1.103 459 G CA -0.386 44.676 45.100 -0.062 0.000 0.779 459 G HN 0.666 nan 8.290 nan 0.000 0.673 460 N N -1.128 117.512 118.700 -0.100 0.000 3.100 460 N HA 0.240 4.980 4.740 0.000 0.000 0.344 460 N C 0.654 176.109 175.510 -0.093 0.000 1.413 460 N CA -0.546 52.449 53.050 -0.092 0.000 0.752 460 N CB 0.302 38.721 38.487 -0.114 0.000 1.519 460 N HN 0.294 nan 8.380 nan 0.000 0.620 461 N N -0.400 118.252 118.700 -0.081 0.000 2.104 461 N HA -0.227 4.513 4.740 0.000 0.000 0.190 461 N C 1.185 176.636 175.510 -0.099 0.000 1.024 461 N CA 1.827 54.836 53.050 -0.069 0.000 0.853 461 N CB -0.028 38.428 38.487 -0.052 0.000 1.008 461 N HN 0.751 nan 8.380 nan 0.000 0.424 462 E N -1.461 118.655 120.200 -0.139 0.000 2.112 462 E HA 0.014 4.364 4.350 0.000 0.000 0.190 462 E C -0.326 176.007 176.600 -0.446 0.000 0.979 462 E CA 0.697 56.979 56.400 -0.196 0.000 0.814 462 E CB 0.168 29.773 29.700 -0.158 0.000 0.762 462 E HN 0.303 nan 8.360 nan 0.000 0.460 463 c N 3.198 121.534 118.600 -0.439 0.000 3.169 463 c HA 0.470 5.040 4.570 0.000 0.000 0.232 463 c C -2.320 171.618 174.090 -0.255 0.000 1.316 463 c CA -1.501 54.455 56.329 -0.622 0.000 1.545 463 c CB 0.165 42.417 42.510 -0.429 0.000 1.785 463 c HN 0.365 nan 8.230 nan 0.000 0.454 464 P HA 0.081 nan 4.420 nan 0.000 0.293 464 P C 0.120 177.478 177.300 0.097 0.000 1.304 464 P CA -0.421 62.686 63.100 0.011 0.000 0.767 464 P CB 0.669 32.397 31.700 0.046 0.000 1.247 465 W N 0.506 121.769 121.300 -0.061 0.000 2.409 465 W HA 0.062 4.722 4.660 0.000 0.000 0.338 465 W C 0.862 177.356 176.519 -0.043 0.000 1.273 465 W CA 2.618 59.923 57.345 -0.067 0.000 1.299 465 W CB -0.981 28.438 29.460 -0.068 0.000 1.192 465 W HN 0.886 nan 8.180 nan 0.000 0.565 466 G N 3.008 111.674 108.800 -0.223 0.000 2.176 466 G HA2 -0.366 3.594 3.960 0.000 0.000 0.253 466 G HA3 -0.366 3.594 3.960 0.000 0.000 0.253 466 G C 0.265 175.153 174.900 -0.020 0.000 0.979 466 G CA 0.499 45.556 45.100 -0.071 0.000 0.641 466 G HN 0.946 nan 8.290 nan 0.000 0.530 467 H N 1.142 120.158 119.070 -0.091 0.000 2.871 467 H HA 0.467 5.023 4.556 0.000 0.000 0.355 467 H C 1.461 176.760 175.328 -0.049 0.000 1.092 467 H CA 1.627 57.652 56.048 -0.039 0.000 1.420 467 H CB 0.863 30.611 29.762 -0.023 0.000 1.400 467 H HN 0.508 nan 8.280 nan 0.000 0.604 468 S N 1.237 116.768 115.700 -0.282 0.000 2.976 468 S HA 0.184 4.654 4.470 0.000 0.000 0.252 468 S C -0.608 174.048 174.600 0.094 0.000 0.940 468 S CA -0.544 57.654 58.200 -0.003 0.000 1.283 468 S CB -0.799 62.390 63.200 -0.018 0.000 1.194 468 S HN 0.419 nan 8.310 nan 0.000 0.662 469 c N 3.151 121.613 118.600 -0.230 0.000 2.411 469 c HA 0.704 5.274 4.570 0.000 0.000 0.330 469 c C -2.618 171.233 174.090 -0.398 0.000 1.224 469 c CA -1.643 54.515 56.329 -0.286 0.000 1.770 469 c CB 1.163 43.508 42.510 -0.274 0.000 2.297 469 c HN 0.292 nan 8.230 nan 0.000 0.507 470 P HA 0.151 nan 4.420 nan 0.000 0.262 470 P C -0.756 176.277 177.300 -0.445 0.000 1.182 470 P CA 1.026 63.353 63.100 -1.288 0.000 0.761 470 P CB 0.351 31.451 31.700 -1.000 0.000 0.795 471 D N 1.580 121.840 120.400 -0.233 0.000 2.706 471 D HA 0.198 4.839 4.640 0.000 0.000 0.225 471 D C 0.002 176.328 176.300 0.042 0.000 1.241 471 D CA -0.476 53.513 54.000 -0.019 0.000 0.784 471 D CB 1.720 42.569 40.800 0.082 0.000 1.521 471 D HN 0.245 nan 8.370 nan 0.000 0.461 472 G N 0.959 109.762 108.800 0.004 0.000 3.101 472 G HA2 0.430 4.390 3.960 0.000 0.000 0.272 472 G HA3 0.430 4.390 3.960 0.000 0.000 0.272 472 G C 0.518 175.377 174.900 -0.068 0.000 0.801 472 G CA -0.136 44.964 45.100 0.000 0.000 1.978 472 G HN 0.509 nan 8.290 nan 0.000 0.591 473 c N 0.513 119.033 118.600 -0.133 0.000 2.529 473 c HA 0.850 5.420 4.570 0.000 0.000 0.329 473 c C -0.135 173.708 174.090 -0.413 0.000 1.194 473 c CA -1.582 54.613 56.329 -0.223 0.000 1.779 473 c CB 1.181 43.572 42.510 -0.198 0.000 2.322 473 c HN 0.421 nan 8.230 nan 0.000 0.500 474 I N 2.355 122.689 120.570 -0.393 0.000 2.439 474 I HA 0.610 4.780 4.170 0.000 0.000 0.283 474 I C 0.295 176.214 176.117 -0.330 0.000 1.023 474 I CA 0.468 61.480 61.300 -0.480 0.000 1.100 474 I CB 1.632 39.412 38.000 -0.366 0.000 1.238 474 I HN 1.059 nan 8.210 nan 0.000 0.445 475 T N 3.068 117.438 114.554 -0.307 0.000 2.637 475 T HA 0.717 5.067 4.350 0.000 0.000 0.266 475 T C -0.049 174.548 174.700 -0.173 0.000 1.251 475 T CA 0.544 62.520 62.100 -0.207 0.000 1.131 475 T CB 0.568 69.320 68.868 -0.193 0.000 1.841 475 T HN 1.149 nan 8.240 nan 0.000 0.437 476 G N -0.059 108.660 108.800 -0.136 0.000 2.642 476 G HA2 0.222 4.182 3.960 0.000 0.000 0.231 476 G HA3 0.222 4.182 3.960 0.000 0.000 0.231 476 G C -0.338 174.530 174.900 -0.053 0.000 1.338 476 G CA 0.081 45.113 45.100 -0.114 0.000 0.883 476 G HN 1.840 nan 8.290 nan 0.000 0.570 477 V N -1.353 118.539 119.914 -0.037 0.000 3.234 477 V HA 0.587 4.708 4.120 0.000 0.000 0.280 477 V C -1.271 174.852 176.094 0.049 0.000 1.580 477 V CA -0.306 62.018 62.300 0.039 0.000 1.032 477 V CB 1.734 33.589 31.823 0.053 0.000 1.203 477 V HN 1.834 nan 8.190 nan 0.000 0.459 478 Y N 3.834 124.116 120.300 -0.030 0.000 2.486 478 Y HA 0.598 5.148 4.550 0.000 0.000 0.348 478 Y C 0.544 176.299 175.900 -0.241 0.000 1.000 478 Y CA 0.890 58.919 58.100 -0.118 0.000 1.253 478 Y CB 1.012 39.324 38.460 -0.247 0.000 1.140 478 Y HN 0.787 nan 8.280 nan 0.000 0.526 479 T N 2.686 117.054 114.554 -0.309 0.000 3.135 479 T HA 0.242 4.592 4.350 0.000 0.000 0.357 479 T C -0.904 173.397 174.700 -0.665 0.000 1.112 479 T CA -1.076 60.838 62.100 -0.310 0.000 1.290 479 T CB -0.124 68.650 68.868 -0.157 0.000 1.018 479 T HN 0.640 nan 8.240 nan 0.000 0.527 480 D N 2.446 122.272 120.400 -0.958 0.000 2.371 480 D HA 0.552 5.192 4.640 0.000 0.000 0.242 480 D C 0.026 175.886 176.300 -0.734 0.000 1.218 480 D CA -0.704 52.435 54.000 -1.434 0.000 0.945 480 D CB 0.596 40.731 40.800 -1.109 0.000 1.137 480 D HN 0.782 nan 8.370 nan 0.000 0.464 481 A N -0.046 122.368 122.820 -0.677 0.000 2.422 481 A HA 0.499 4.819 4.320 0.000 0.000 0.302 481 A C -1.840 175.619 177.584 -0.207 0.000 1.041 481 A CA -0.878 50.957 52.037 -0.336 0.000 0.708 481 A CB 0.917 19.718 19.000 -0.331 0.000 1.257 481 A HN 0.594 nan 8.150 nan 0.000 0.414 482 Y N 4.110 124.280 120.300 -0.216 0.000 2.328 482 Y HA 0.527 5.077 4.550 0.000 0.000 0.337 482 Y C -2.166 173.606 175.900 -0.213 0.000 1.008 482 Y CA -2.062 55.924 58.100 -0.190 0.000 1.129 482 Y CB 1.928 40.300 38.460 -0.148 0.000 1.185 482 Y HN 0.500 nan 8.280 nan 0.000 0.476 483 P HA 0.080 nan 4.420 nan 0.000 0.276 483 P C -0.288 176.946 177.300 -0.110 0.000 1.230 483 P CA 0.219 63.126 63.100 -0.322 0.000 0.776 483 P CB 1.734 32.946 31.700 -0.814 0.000 0.888 484 L N 1.485 122.648 121.223 -0.100 0.000 2.537 484 L HA 0.135 4.475 4.340 0.000 0.000 0.224 484 L C 1.236 178.005 176.870 -0.167 0.000 1.065 484 L CA 0.330 55.153 54.840 -0.028 0.000 0.860 484 L CB -0.346 41.679 42.059 -0.057 0.000 1.086 484 L HN 0.452 nan 8.230 nan 0.000 0.482 485 N N -0.725 117.733 118.700 -0.403 0.000 2.471 485 N HA 0.287 5.027 4.740 0.000 0.000 0.288 485 N C -2.410 173.076 175.510 -0.040 0.000 1.220 485 N CA -2.143 50.673 53.050 -0.389 0.000 0.893 485 N CB 0.683 38.691 38.487 -0.798 0.000 1.256 485 N HN -0.337 nan 8.380 nan 0.000 0.534 486 P HA -0.163 nan 4.420 nan 0.000 0.217 486 P C 1.060 178.500 177.300 0.234 0.000 1.151 486 P CA 2.507 65.725 63.100 0.197 0.000 0.849 486 P CB -0.037 31.757 31.700 0.157 0.000 0.787 487 T N -5.991 108.648 114.554 0.142 0.000 3.067 487 T HA 0.261 4.611 4.350 0.000 0.000 0.257 487 T C 1.555 176.375 174.700 0.199 0.000 1.105 487 T CA 0.592 62.779 62.100 0.146 0.000 1.104 487 T CB -0.843 68.076 68.868 0.085 0.000 0.925 487 T HN 0.244 nan 8.240 nan 0.000 0.498 488 G N 1.410 110.293 108.800 0.140 0.000 2.136 488 G HA2 -0.324 3.636 3.960 0.000 0.000 0.242 488 G HA3 -0.324 3.636 3.960 0.000 0.000 0.242 488 G C 1.011 176.000 174.900 0.149 0.000 0.989 488 G CA 0.839 46.002 45.100 0.105 0.000 0.682 488 G HN 1.103 nan 8.290 nan 0.000 0.522 489 S N -1.019 114.700 115.700 0.032 0.000 2.489 489 S HA 0.375 4.845 4.470 0.000 0.000 0.228 489 S C 0.962 175.570 174.600 0.013 0.000 0.995 489 S CA 0.607 58.754 58.200 -0.089 0.000 0.934 489 S CB 0.257 63.396 63.200 -0.101 0.000 0.771 489 S HN 0.596 nan 8.310 nan 0.000 0.522 490 I N 2.798 123.342 120.570 -0.044 0.000 2.389 490 I HA 0.542 4.713 4.170 0.000 0.000 0.288 490 I C -0.403 175.667 176.117 -0.078 0.000 0.999 490 I CA -1.031 60.217 61.300 -0.086 0.000 1.129 490 I CB 1.942 39.743 38.000 -0.332 0.000 1.288 490 I HN 0.136 nan 8.210 nan 0.000 0.444 491 V N 2.086 121.993 119.914 -0.013 0.000 3.167 491 V HA 0.703 4.823 4.120 0.000 0.000 0.310 491 V C -0.643 175.411 176.094 -0.067 0.000 1.207 491 V CA -0.690 61.584 62.300 -0.044 0.000 1.059 491 V CB 2.008 33.768 31.823 -0.106 0.000 1.079 491 V HN 0.664 nan 8.190 nan 0.000 0.446 492 S N 0.479 116.108 115.700 -0.119 0.000 2.532 492 S HA 0.843 5.314 4.470 0.000 0.000 0.299 492 S C -0.696 173.774 174.600 -0.217 0.000 1.105 492 S CA 0.304 58.299 58.200 -0.341 0.000 1.018 492 S CB 1.140 64.187 63.200 -0.256 0.000 1.021 492 S HN 1.904 nan 8.310 nan 0.000 0.483 493 S N 3.006 118.541 115.700 -0.275 0.000 2.587 493 S HA 0.619 5.089 4.470 0.000 0.000 0.269 493 S C -1.899 172.572 174.600 -0.214 0.000 1.154 493 S CA -0.519 57.567 58.200 -0.189 0.000 0.824 493 S CB 1.252 64.316 63.200 -0.227 0.000 1.118 493 S HN 0.625 nan 8.310 nan 0.000 0.462 494 V N 4.185 124.010 119.914 -0.149 0.000 2.293 494 V HA 0.454 4.574 4.120 0.000 0.000 0.275 494 V C 0.127 176.157 176.094 -0.106 0.000 1.021 494 V CA -0.551 61.652 62.300 -0.161 0.000 0.815 494 V CB 0.078 31.837 31.823 -0.107 0.000 1.025 494 V HN 0.712 nan 8.190 nan 0.000 0.448 495 I N 2.481 123.004 120.570 -0.079 0.000 2.664 495 I HA 0.583 4.753 4.170 0.000 0.000 0.308 495 I C -0.334 175.809 176.117 0.044 0.000 0.984 495 I CA -0.749 60.560 61.300 0.015 0.000 1.213 495 I CB 1.198 39.286 38.000 0.148 0.000 1.379 495 I HN 0.282 nan 8.210 nan 0.000 0.501 496 L N 3.185 124.479 121.223 0.118 0.000 2.287 496 L HA 0.258 4.598 4.340 0.000 0.000 0.280 496 L C -0.356 176.565 176.870 0.085 0.000 1.055 496 L CA -0.265 54.618 54.840 0.072 0.000 0.863 496 L CB 0.325 42.428 42.059 0.074 0.000 1.245 496 L HN 0.614 nan 8.230 nan 0.000 0.432 497 D N 2.407 122.762 120.400 -0.074 0.000 2.541 497 D HA 0.123 4.764 4.640 0.000 0.000 0.231 497 D C -0.275 175.821 176.300 -0.340 0.000 1.163 497 D CA 0.596 54.402 54.000 -0.322 0.000 1.077 497 D CB 0.341 40.969 40.800 -0.286 0.000 1.110 497 D HN 0.361 nan 8.370 nan 0.000 0.499 498 S N 1.399 116.914 115.700 -0.308 0.000 2.537 498 S HA 0.149 4.619 4.470 0.000 0.000 0.271 498 S C 0.698 175.235 174.600 -0.106 0.000 1.148 498 S CA -0.644 57.436 58.200 -0.200 0.000 0.868 498 S CB 1.479 64.629 63.200 -0.085 0.000 1.115 498 S HN 0.120 nan 8.310 nan 0.000 0.461 499 Q N 2.071 121.814 119.800 -0.096 0.000 2.050 499 Q HA -0.025 4.315 4.340 0.000 0.000 0.202 499 Q C 0.606 176.647 176.000 0.068 0.000 0.980 499 Q CA 1.532 57.348 55.803 0.022 0.000 0.840 499 Q CB -0.134 28.596 28.738 -0.014 0.000 0.898 499 Q HN 0.803 nan 8.270 nan 0.000 0.424 500 K N -1.720 118.691 120.400 0.017 0.000 3.199 500 K HA 0.375 4.695 4.320 0.000 0.000 0.181 500 K C -0.717 175.880 176.600 -0.005 0.000 1.067 500 K CA -0.117 56.175 56.287 0.008 0.000 1.021 500 K CB 0.511 33.006 32.500 -0.010 0.000 0.688 500 K HN -0.204 nan 8.250 nan 0.000 0.415 501 S N 0.839 116.538 115.700 -0.002 0.000 2.541 501 S HA 0.409 4.879 4.470 0.000 0.000 0.280 501 S C -0.708 173.894 174.600 0.003 0.000 1.112 501 S CA -0.926 57.270 58.200 -0.007 0.000 0.925 501 S CB 1.802 64.991 63.200 -0.018 0.000 1.067 501 S HN 0.281 nan 8.310 nan 0.000 0.479 502 R N 2.226 122.730 120.500 0.008 0.000 3.268 502 R HA 0.365 4.705 4.340 0.000 0.000 0.217 502 R C -0.129 176.174 176.300 0.006 0.000 1.568 502 R CA -0.148 55.964 56.100 0.019 0.000 1.322 502 R CB -0.501 29.817 30.300 0.030 0.000 1.280 502 R HN 0.457 nan 8.270 nan 0.000 0.667 503 V N -2.471 117.439 119.914 -0.007 0.000 3.165 503 V HA 0.384 4.504 4.120 0.000 0.000 0.309 503 V C 0.261 176.330 176.094 -0.042 0.000 1.267 503 V CA -1.285 61.000 62.300 -0.025 0.000 1.067 503 V CB 1.934 33.737 31.823 -0.034 0.000 1.082 503 V HN 0.815 nan 8.190 nan 0.000 0.451 504 N N 1.208 119.874 118.700 -0.056 0.000 2.696 504 N HA -0.093 4.647 4.740 0.000 0.000 0.256 504 N C -2.284 173.175 175.510 -0.084 0.000 1.031 504 N CA 0.421 53.424 53.050 -0.077 0.000 0.730 504 N CB -0.169 38.260 38.487 -0.097 0.000 0.894 504 N HN 0.801 nan 8.380 nan 0.000 0.544 505 P HA 0.116 nan 4.420 nan 0.000 0.269 505 P C -0.562 176.651 177.300 -0.144 0.000 1.209 505 P CA 0.020 63.061 63.100 -0.097 0.000 0.776 505 P CB 1.301 32.939 31.700 -0.103 0.000 0.876 506 V N 4.405 124.229 119.914 -0.149 0.000 2.612 506 V HA 0.283 4.403 4.120 0.000 0.000 0.301 506 V C 0.393 176.359 176.094 -0.213 0.000 1.059 506 V CA -0.623 61.577 62.300 -0.168 0.000 0.886 506 V CB 1.780 33.530 31.823 -0.121 0.000 1.007 506 V HN 0.394 nan 8.190 nan 0.000 0.426 507 I N 3.762 124.166 120.570 -0.277 0.000 2.396 507 I HA 0.417 4.587 4.170 0.000 0.000 0.289 507 I C 0.448 176.406 176.117 -0.265 0.000 1.056 507 I CA 0.572 61.641 61.300 -0.385 0.000 1.365 507 I CB 1.286 38.988 38.000 -0.497 0.000 1.407 507 I HN 0.651 nan 8.210 nan 0.000 0.509 508 T N 5.548 119.913 114.554 -0.315 0.000 2.909 508 T HA 0.518 4.868 4.350 0.000 0.000 0.299 508 T C -1.313 173.158 174.700 -0.382 0.000 1.073 508 T CA -0.413 61.558 62.100 -0.215 0.000 0.999 508 T CB 0.818 69.616 68.868 -0.116 0.000 1.098 508 T HN 0.276 nan 8.240 nan 0.000 0.477 509 Y N 2.548 122.843 120.300 -0.009 0.000 2.345 509 Y HA 0.580 5.131 4.550 0.000 0.000 0.331 509 Y C 0.546 176.461 175.900 0.024 0.000 0.959 509 Y CA -0.444 57.667 58.100 0.019 0.000 1.204 509 Y CB 1.728 40.216 38.460 0.047 0.000 1.135 509 Y HN 0.678 nan 8.280 nan 0.000 0.477 510 S N 1.719 117.473 115.700 0.090 0.000 2.627 510 S HA 0.798 5.268 4.470 0.000 0.000 0.283 510 S C -0.219 174.435 174.600 0.089 0.000 1.127 510 S CA -0.344 57.904 58.200 0.081 0.000 0.863 510 S CB 1.614 64.835 63.200 0.034 0.000 1.121 510 S HN 0.602 nan 8.310 nan 0.000 0.479 511 T N -0.857 113.751 114.554 0.089 0.000 2.893 511 T HA 0.737 5.087 4.350 0.000 0.000 0.281 511 T C 1.480 176.222 174.700 0.069 0.000 1.027 511 T CA -0.203 61.944 62.100 0.078 0.000 0.953 511 T CB 0.379 69.290 68.868 0.071 0.000 1.434 511 T HN 1.201 nan 8.240 nan 0.000 0.597 512 A N 0.145 122.934 122.820 -0.051 0.000 2.066 512 A HA 0.134 4.454 4.320 0.000 0.000 0.218 512 A C 2.152 179.612 177.584 -0.207 0.000 1.157 512 A CA 1.628 53.514 52.037 -0.250 0.000 0.670 512 A CB -1.195 17.588 19.000 -0.363 0.000 0.804 512 A HN 1.074 nan 8.150 nan 0.000 0.453 513 T N -4.027 110.502 114.554 -0.041 0.000 3.043 513 T HA 0.373 4.723 4.350 0.000 0.000 0.272 513 T C 0.001 174.723 174.700 0.036 0.000 0.990 513 T CA 0.237 62.342 62.100 0.010 0.000 0.897 513 T CB 0.122 69.055 68.868 0.108 0.000 1.111 513 T HN 0.422 nan 8.240 nan 0.000 0.529 514 E N 0.637 120.861 120.200 0.040 0.000 2.354 514 E HA 0.369 4.719 4.350 0.000 0.000 0.283 514 E C -1.554 175.080 176.600 0.057 0.000 0.938 514 E CA -0.745 55.685 56.400 0.051 0.000 0.777 514 E CB 1.718 31.454 29.700 0.059 0.000 1.222 514 E HN 0.143 nan 8.360 nan 0.000 0.423 515 R N 2.973 123.504 120.500 0.052 0.000 2.220 515 R HA 0.219 4.559 4.340 0.000 0.000 0.340 515 R C 0.729 177.064 176.300 0.058 0.000 1.076 515 R CA -0.143 55.988 56.100 0.052 0.000 0.920 515 R CB 1.008 31.331 30.300 0.038 0.000 1.062 515 R HN 0.312 nan 8.270 nan 0.000 0.469 516 V N 1.957 121.921 119.914 0.083 0.000 2.426 516 V HA -0.025 4.095 4.120 0.000 0.000 0.242 516 V C 0.621 176.765 176.094 0.083 0.000 1.036 516 V CA 0.978 63.330 62.300 0.086 0.000 1.044 516 V CB -0.228 31.662 31.823 0.111 0.000 0.688 516 V HN 0.675 nan 8.190 nan 0.000 0.462 517 N N 0.854 119.625 118.700 0.119 0.000 2.533 517 N HA 0.265 5.005 4.740 0.000 0.000 0.289 517 N C -1.101 174.499 175.510 0.150 0.000 1.103 517 N CA -0.288 52.828 53.050 0.110 0.000 0.877 517 N CB 1.637 40.181 38.487 0.096 0.000 1.419 517 N HN 0.723 nan 8.380 nan 0.000 0.517 518 E N 1.524 121.770 120.200 0.077 0.000 2.456 518 E HA 0.650 5.000 4.350 0.000 0.000 0.276 518 E C -1.498 175.105 176.600 0.005 0.000 0.981 518 E CA -1.055 55.370 56.400 0.042 0.000 0.814 518 E CB 2.199 31.893 29.700 -0.009 0.000 1.382 518 E HN 0.187 nan 8.360 nan 0.000 0.459 519 L N 0.883 122.082 121.223 -0.041 0.000 2.528 519 L HA 0.606 4.946 4.340 0.000 0.000 0.267 519 L C -1.310 175.496 176.870 -0.106 0.000 0.961 519 L CA -0.263 54.542 54.840 -0.058 0.000 0.866 519 L CB 1.681 43.713 42.059 -0.045 0.000 1.248 519 L HN 0.828 nan 8.230 nan 0.000 0.404 520 A N 5.060 127.824 122.820 -0.094 0.000 2.488 520 A HA 0.341 4.661 4.320 0.000 0.000 0.249 520 A C 1.276 178.781 177.584 -0.132 0.000 1.083 520 A CA -0.023 51.945 52.037 -0.115 0.000 0.768 520 A CB 0.000 18.946 19.000 -0.091 0.000 1.017 520 A HN 0.892 nan 8.150 nan 0.000 0.496 521 I N 1.025 121.482 120.570 -0.188 0.000 2.179 521 I HA -0.184 3.987 4.170 0.000 0.000 0.242 521 I C 1.597 177.652 176.117 -0.102 0.000 1.088 521 I CA 1.589 62.759 61.300 -0.216 0.000 1.357 521 I CB -0.151 37.633 38.000 -0.359 0.000 1.051 521 I HN 0.745 nan 8.210 nan 0.000 0.409 522 L N -0.996 120.177 121.223 -0.083 0.000 3.829 522 L HA 0.323 4.663 4.340 0.000 0.000 0.208 522 L C -1.031 175.807 176.870 -0.053 0.000 1.242 522 L CA 0.170 54.982 54.840 -0.047 0.000 1.266 522 L CB -0.127 41.916 42.059 -0.027 0.000 1.786 522 L HN 0.401 nan 8.230 nan 0.000 0.713 523 N N -2.341 116.328 118.700 -0.052 0.000 3.517 523 N HA 0.258 4.999 4.740 0.000 0.000 0.329 523 N C -0.098 175.378 175.510 -0.055 0.000 1.569 523 N CA -0.391 52.625 53.050 -0.056 0.000 0.852 523 N CB 0.341 38.801 38.487 -0.045 0.000 1.955 523 N HN 0.101 nan 8.380 nan 0.000 0.555 524 R N -0.782 119.685 120.500 -0.055 0.000 2.193 524 R HA -0.035 4.305 4.340 0.000 0.000 0.229 524 R C 0.963 177.239 176.300 -0.039 0.000 1.110 524 R CA 1.822 57.890 56.100 -0.053 0.000 0.988 524 R CB -0.679 29.588 30.300 -0.055 0.000 0.871 524 R HN 0.834 nan 8.270 nan 0.000 0.458 525 T N -1.034 113.500 114.554 -0.033 0.000 3.085 525 T HA 0.001 4.352 4.350 0.000 0.000 0.263 525 T C 0.751 175.435 174.700 -0.027 0.000 1.127 525 T CA 0.025 62.110 62.100 -0.025 0.000 1.103 525 T CB -0.027 68.829 68.868 -0.019 0.000 0.921 525 T HN -0.005 nan 8.240 nan 0.000 0.510 526 L N 2.691 123.894 121.223 -0.033 0.000 2.283 526 L HA 0.559 4.899 4.340 0.000 0.000 0.287 526 L C -0.008 176.840 176.870 -0.036 0.000 1.073 526 L CA -0.456 54.361 54.840 -0.037 0.000 0.822 526 L CB 0.723 42.758 42.059 -0.039 0.000 1.186 526 L HN 0.131 nan 8.230 nan 0.000 0.436 527 S N 4.287 119.965 115.700 -0.037 0.000 2.525 527 S HA 0.925 5.395 4.470 0.000 0.000 0.278 527 S C -0.392 174.196 174.600 -0.020 0.000 1.234 527 S CA 0.140 58.326 58.200 -0.024 0.000 1.058 527 S CB 0.707 63.896 63.200 -0.018 0.000 0.983 527 S HN 1.152 nan 8.310 nan 0.000 0.495 528 A N 2.968 125.791 122.820 0.006 0.000 2.601 528 A HA 0.795 5.115 4.320 0.000 0.000 0.291 528 A C 0.072 177.693 177.584 0.062 0.000 1.075 528 A CA -0.299 51.758 52.037 0.033 0.000 0.671 528 A CB 0.707 19.727 19.000 0.033 0.000 1.277 528 A HN 1.076 nan 8.150 nan 0.000 0.417 529 G N -0.881 107.982 108.800 0.105 0.000 3.414 529 G HA2 0.474 4.434 3.960 0.000 0.000 0.189 529 G HA3 0.474 4.434 3.960 0.000 0.000 0.189 529 G C -0.017 175.012 174.900 0.216 0.000 1.329 529 G CA -0.235 44.951 45.100 0.142 0.000 0.851 529 G HN 1.194 nan 8.290 nan 0.000 0.671 530 Y N 2.027 122.389 120.300 0.104 0.000 2.987 530 Y HA 0.276 4.826 4.550 0.000 0.000 0.339 530 Y C 0.648 176.646 175.900 0.163 0.000 1.272 530 Y CA 0.950 59.140 58.100 0.150 0.000 1.562 530 Y CB 0.446 38.968 38.460 0.103 0.000 1.253 530 Y HN 0.554 nan 8.280 nan 0.000 0.604 531 T N 2.783 117.438 114.554 0.168 0.000 2.900 531 T HA 0.541 4.891 4.350 0.000 0.000 0.303 531 T C -0.798 173.957 174.700 0.092 0.000 1.142 531 T CA -0.708 61.515 62.100 0.205 0.000 1.007 531 T CB 1.863 70.794 68.868 0.106 0.000 1.156 531 T HN 0.729 nan 8.240 nan 0.000 0.490 532 T N 0.942 115.627 114.554 0.218 0.000 2.993 532 T HA 0.634 4.984 4.350 0.000 0.000 0.312 532 T C -1.352 173.465 174.700 0.194 0.000 1.115 532 T CA -0.338 61.883 62.100 0.202 0.000 1.027 532 T CB 1.798 70.857 68.868 0.319 0.000 1.116 532 T HN 0.868 nan 8.240 nan 0.000 0.464 533 T N 3.119 117.753 114.554 0.133 0.000 2.812 533 T HA 0.669 5.019 4.350 0.000 0.000 0.282 533 T C -1.013 173.762 174.700 0.125 0.000 0.990 533 T CA -0.575 61.583 62.100 0.097 0.000 0.960 533 T CB 1.472 70.406 68.868 0.110 0.000 0.948 533 T HN 0.548 nan 8.240 nan 0.000 0.438 534 S N 1.773 117.495 115.700 0.036 0.000 2.557 534 S HA 0.637 5.108 4.470 0.000 0.000 0.291 534 S C -0.497 173.906 174.600 -0.328 0.000 1.116 534 S CA -0.580 57.645 58.200 0.041 0.000 0.992 534 S CB 0.335 63.656 63.200 0.203 0.000 1.028 534 S HN 0.864 nan 8.310 nan 0.000 0.484 535 c N 4.884 122.849 118.600 -1.058 0.000 2.486 535 c HA 0.847 5.417 4.570 0.000 0.000 0.348 535 c C -0.016 173.762 174.090 -0.520 0.000 1.203 535 c CA -0.807 55.023 56.329 -0.832 0.000 1.911 535 c CB 0.322 42.219 42.510 -1.022 0.000 2.340 535 c HN 0.897 nan 8.230 nan 0.000 0.511 536 I N -0.699 119.677 120.570 -0.324 0.000 3.191 536 I HA 0.820 4.990 4.170 0.000 0.000 0.313 536 I C -0.658 175.397 176.117 -0.103 0.000 1.193 536 I CA -0.368 60.844 61.300 -0.146 0.000 0.968 536 I CB 2.304 40.273 38.000 -0.051 0.000 1.262 536 I HN 0.654 nan 8.210 nan 0.000 0.456 537 T N -1.396 113.159 114.554 0.002 0.000 2.841 537 T HA 0.388 4.738 4.350 0.000 0.000 0.283 537 T C -0.924 173.915 174.700 0.232 0.000 1.000 537 T CA -0.458 61.704 62.100 0.103 0.000 0.977 537 T CB 1.252 70.184 68.868 0.106 0.000 0.979 537 T HN 0.810 nan 8.240 nan 0.000 0.446 538 H N 3.170 122.393 119.070 0.255 0.000 2.661 538 H HA 0.296 4.852 4.556 0.000 0.000 0.290 538 H C -0.179 175.394 175.328 0.407 0.000 1.082 538 H CA -0.637 55.582 56.048 0.285 0.000 1.234 538 H CB 0.027 30.004 29.762 0.358 0.000 1.387 538 H HN 0.830 nan 8.280 nan 0.000 0.476 539 Y N 2.248 122.566 120.300 0.030 0.000 2.819 539 Y HA -0.513 4.037 4.550 0.000 0.000 0.471 539 Y C 1.816 177.750 175.900 0.057 0.000 1.148 539 Y CA 2.050 60.132 58.100 -0.030 0.000 2.713 539 Y CB -1.120 37.233 38.460 -0.179 0.000 1.168 539 Y HN 0.741 nan 8.280 nan 0.000 0.618 540 N N 0.265 119.115 118.700 0.249 0.000 2.171 540 N HA 0.094 4.834 4.740 0.000 0.000 0.212 540 N C -0.751 174.911 175.510 0.254 0.000 1.184 540 N CA 0.144 53.324 53.050 0.217 0.000 0.888 540 N CB 0.482 39.052 38.487 0.138 0.000 1.038 540 N HN 0.227 nan 8.380 nan 0.000 0.517 541 K N 1.010 121.544 120.400 0.224 0.000 2.118 541 K HA 0.493 4.813 4.320 0.000 0.000 0.267 541 K C 0.349 176.968 176.600 0.031 0.000 0.991 541 K CA -0.527 55.839 56.287 0.131 0.000 0.916 541 K CB 1.495 34.010 32.500 0.025 0.000 1.041 541 K HN 0.166 nan 8.250 nan 0.000 0.455 542 G N 1.500 110.229 108.800 -0.118 0.000 2.367 542 G HA2 0.548 4.508 3.960 0.000 0.000 0.314 542 G HA3 0.548 4.508 3.960 0.000 0.000 0.314 542 G C -1.260 173.270 174.900 -0.616 0.000 1.130 542 G CA -0.265 44.600 45.100 -0.391 0.000 0.864 542 G HN 0.380 nan 8.290 nan 0.000 0.486 543 Y N -0.566 119.587 120.300 -0.245 0.000 2.534 543 Y HA 0.511 5.061 4.550 0.000 0.000 0.345 543 Y C -0.055 175.592 175.900 -0.421 0.000 1.031 543 Y CA -0.836 57.095 58.100 -0.282 0.000 1.022 543 Y CB 2.265 40.523 38.460 -0.335 0.000 1.292 543 Y HN 0.609 nan 8.280 nan 0.000 0.459 544 c N 2.586 121.025 118.600 -0.268 0.000 2.498 544 c HA 0.615 5.185 4.570 0.000 0.000 0.316 544 c C -0.761 172.919 174.090 -0.683 0.000 1.209 544 c CA -1.185 54.862 56.329 -0.470 0.000 1.518 544 c CB 0.177 42.480 42.510 -0.345 0.000 2.147 544 c HN 0.653 nan 8.230 nan 0.000 0.483 545 F N 2.811 122.513 119.950 -0.413 0.000 2.404 545 F HA 0.424 4.951 4.527 0.000 0.000 0.339 545 F C 0.915 176.436 175.800 -0.465 0.000 1.105 545 F CA -0.033 57.773 58.000 -0.324 0.000 1.087 545 F CB 0.769 39.648 39.000 -0.203 0.000 1.143 545 F HN 0.502 nan 8.300 nan 0.000 0.491 546 H N 4.705 123.926 119.070 0.252 0.000 2.589 546 H HA 0.453 5.009 4.556 0.000 0.000 0.335 546 H C -0.722 174.771 175.328 0.275 0.000 1.019 546 H CA -0.546 55.630 56.048 0.214 0.000 1.213 546 H CB 1.929 31.795 29.762 0.172 0.000 1.472 546 H HN 0.489 nan 8.280 nan 0.000 0.508 547 I N 3.778 124.552 120.570 0.339 0.000 2.355 547 I HA 0.211 4.382 4.170 0.000 0.000 0.288 547 I C -0.163 176.167 176.117 0.355 0.000 0.999 547 I CA -0.757 60.734 61.300 0.318 0.000 1.163 547 I CB 1.511 39.684 38.000 0.289 0.000 1.316 547 I HN 0.144 nan 8.210 nan 0.000 0.454 548 V N 5.152 125.287 119.914 0.368 0.000 2.555 548 V HA 0.293 4.414 4.120 0.000 0.000 0.302 548 V C -0.078 176.180 176.094 0.273 0.000 1.038 548 V CA -0.826 61.667 62.300 0.322 0.000 0.887 548 V CB 1.834 33.842 31.823 0.308 0.000 0.991 548 V HN 0.634 nan 8.190 nan 0.000 0.434 549 E N 4.165 124.512 120.200 0.245 0.000 2.003 549 E HA 0.294 4.644 4.350 0.000 0.000 0.279 549 E C -0.588 176.094 176.600 0.136 0.000 1.132 549 E CA -0.279 56.229 56.400 0.179 0.000 0.888 549 E CB 0.301 30.100 29.700 0.166 0.000 1.056 549 E HN 0.426 nan 8.360 nan 0.000 0.399 550 I N 3.803 124.444 120.570 0.118 0.000 2.428 550 I HA 0.113 4.284 4.170 0.000 0.000 0.289 550 I C 0.252 176.336 176.117 -0.055 0.000 1.019 550 I CA -0.518 60.787 61.300 0.008 0.000 1.351 550 I CB 0.798 38.767 38.000 -0.052 0.000 1.412 550 I HN 0.497 nan 8.210 nan 0.000 0.513 551 N N 5.545 124.188 118.700 -0.095 0.000 2.485 551 N HA 0.122 4.862 4.740 0.000 0.000 0.243 551 N C -0.674 174.754 175.510 -0.136 0.000 0.987 551 N CA -0.346 52.676 53.050 -0.047 0.000 0.940 551 N CB 0.105 38.593 38.487 0.001 0.000 1.122 551 N HN 0.342 nan 8.380 nan 0.000 0.509 552 H N 2.882 121.976 119.070 0.041 0.000 3.109 552 H HA 0.151 4.707 4.556 0.000 0.000 0.266 552 H C 1.031 176.376 175.328 0.028 0.000 1.334 552 H CA -0.116 55.953 56.048 0.034 0.000 1.456 552 H CB 0.674 30.455 29.762 0.031 0.000 1.587 552 H HN 0.512 nan 8.280 nan 0.000 0.500 553 K N 1.206 121.646 120.400 0.068 0.000 2.160 553 K HA -0.202 4.118 4.320 0.000 0.000 0.206 553 K C 2.069 178.706 176.600 0.062 0.000 1.047 553 K CA 1.563 57.882 56.287 0.053 0.000 0.930 553 K CB 0.087 32.603 32.500 0.026 0.000 0.720 553 K HN 0.560 nan 8.250 nan 0.000 0.450 554 S N 1.142 116.888 115.700 0.078 0.000 2.382 554 S HA -0.121 4.350 4.470 0.000 0.000 0.228 554 S C 1.844 176.479 174.600 0.058 0.000 1.027 554 S CA 1.034 59.272 58.200 0.063 0.000 0.991 554 S CB -0.335 62.905 63.200 0.067 0.000 0.823 554 S HN 0.247 nan 8.310 nan 0.000 0.469 555 L N 1.028 122.296 121.223 0.075 0.000 2.590 555 L HA 0.331 4.671 4.340 0.000 0.000 0.227 555 L C 0.873 177.779 176.870 0.060 0.000 1.099 555 L CA -0.001 54.873 54.840 0.056 0.000 0.872 555 L CB -0.588 41.498 42.059 0.045 0.000 1.088 555 L HN 0.384 nan 8.230 nan 0.000 0.479 556 N N 2.071 120.814 118.700 0.072 0.000 2.727 556 N HA -0.151 4.589 4.740 0.000 0.000 0.251 556 N C -0.457 175.095 175.510 0.069 0.000 1.040 556 N CA 0.970 54.058 53.050 0.063 0.000 0.712 556 N CB -0.374 38.140 38.487 0.046 0.000 0.912 556 N HN 0.539 nan 8.380 nan 0.000 0.545 557 T N -2.092 112.520 114.554 0.096 0.000 2.816 557 T HA 0.697 5.047 4.350 0.000 0.000 0.299 557 T C -0.193 174.591 174.700 0.140 0.000 1.230 557 T CA -0.953 61.205 62.100 0.096 0.000 1.007 557 T CB 2.146 71.060 68.868 0.076 0.000 1.289 557 T HN 0.100 nan 8.240 nan 0.000 0.508 558 L N 1.269 122.564 121.223 0.119 0.000 2.322 558 L HA 0.774 5.114 4.340 0.000 0.000 0.281 558 L C -0.637 176.318 176.870 0.142 0.000 1.014 558 L CA -0.796 54.124 54.840 0.133 0.000 0.815 558 L CB 1.869 43.977 42.059 0.082 0.000 1.247 558 L HN 0.803 nan 8.230 nan 0.000 0.421 559 Q N 5.511 125.432 119.800 0.200 0.000 2.271 559 Q HA 0.471 4.811 4.340 0.000 0.000 0.268 559 Q C -2.761 173.344 176.000 0.175 0.000 1.021 559 Q CA -1.559 54.346 55.803 0.170 0.000 0.802 559 Q CB 2.894 31.734 28.738 0.170 0.000 1.282 559 Q HN 0.164 nan 8.270 nan 0.000 0.431 560 P HA 0.194 nan 4.420 nan 0.000 0.275 560 P C -1.098 176.269 177.300 0.112 0.000 1.228 560 P CA -0.245 62.944 63.100 0.149 0.000 0.786 560 P CB 0.912 32.715 31.700 0.172 0.000 0.927 561 M N 2.638 122.307 119.600 0.114 0.000 2.457 561 M HA 0.411 4.891 4.480 0.000 0.000 0.300 561 M C -1.628 174.616 176.300 -0.093 0.000 1.141 561 M CA -1.315 53.963 55.300 -0.036 0.000 0.901 561 M CB 2.163 34.731 32.600 -0.053 0.000 1.687 561 M HN 0.153 nan 8.290 nan 0.000 0.449 562 L N 3.826 124.882 121.223 -0.278 0.000 2.322 562 L HA 0.738 5.078 4.340 0.000 0.000 0.279 562 L C -1.999 174.626 176.870 -0.409 0.000 1.036 562 L CA 0.192 54.927 54.840 -0.176 0.000 0.807 562 L CB 1.210 43.188 42.059 -0.134 0.000 1.226 562 L HN 0.657 nan 8.230 nan 0.000 0.433 563 F N 2.830 122.866 119.950 0.142 0.000 2.599 563 F HA 0.660 5.187 4.527 0.000 0.000 0.311 563 F C -0.516 175.402 175.800 0.198 0.000 1.076 563 F CA -0.750 57.342 58.000 0.153 0.000 0.937 563 F CB 2.112 41.203 39.000 0.151 0.000 1.282 563 F HN 0.273 nan 8.300 nan 0.000 0.460 564 K N 0.680 121.283 120.400 0.338 0.000 2.468 564 K HA 0.720 5.040 4.320 0.000 0.000 0.252 564 K C -1.250 175.472 176.600 0.204 0.000 0.932 564 K CA -0.999 55.394 56.287 0.177 0.000 0.794 564 K CB 2.493 35.000 32.500 0.012 0.000 1.241 564 K HN 0.673 nan 8.250 nan 0.000 0.428 565 T N -1.739 112.937 114.554 0.203 0.000 2.906 565 T HA 0.364 4.714 4.350 0.000 0.000 0.295 565 T C -0.749 174.031 174.700 0.134 0.000 1.061 565 T CA -0.964 61.266 62.100 0.217 0.000 1.000 565 T CB 1.796 70.873 68.868 0.350 0.000 1.103 565 T HN 0.547 nan 8.240 nan 0.000 0.486 566 E N 1.384 121.617 120.200 0.054 0.000 2.259 566 E HA 0.382 4.732 4.350 0.000 0.000 0.281 566 E C -0.254 176.215 176.600 -0.219 0.000 1.027 566 E CA -0.728 55.587 56.400 -0.140 0.000 0.838 566 E CB 0.626 30.256 29.700 -0.117 0.000 1.066 566 E HN 0.544 nan 8.360 nan 0.000 0.401 567 I N 6.917 127.310 120.570 -0.296 0.000 2.533 567 I HA 0.054 4.224 4.170 0.000 0.000 0.284 567 I C -1.567 174.355 176.117 -0.325 0.000 1.109 567 I CA -1.484 59.589 61.300 -0.378 0.000 1.412 567 I CB 0.550 38.484 38.000 -0.110 0.000 1.396 567 I HN 0.410 nan 8.210 nan 0.000 0.543 568 P HA 0.030 nan 4.420 nan 0.000 0.228 568 P C -0.251 176.996 177.300 -0.089 0.000 1.748 568 P CA -0.055 62.895 63.100 -0.249 0.000 0.909 568 P CB -0.075 31.462 31.700 -0.271 0.000 1.882 569 K N 1.025 121.419 120.400 -0.011 0.000 2.218 569 K HA 0.354 4.674 4.320 0.000 0.000 0.276 569 K C -0.514 176.007 176.600 -0.133 0.000 1.022 569 K CA -0.218 56.065 56.287 -0.008 0.000 0.946 569 K CB 0.722 33.240 32.500 0.030 0.000 1.000 569 K HN 0.086 nan 8.250 nan 0.000 0.468 570 S N 2.833 118.405 115.700 -0.214 0.000 2.548 570 S HA 0.395 4.866 4.470 0.000 0.000 0.276 570 S C -1.481 172.962 174.600 -0.261 0.000 1.129 570 S CA -0.763 57.321 58.200 -0.193 0.000 0.931 570 S CB 0.918 64.046 63.200 -0.120 0.000 1.068 570 S HN 0.656 nan 8.310 nan 0.000 0.480 571 c N 4.343 122.816 118.600 -0.213 0.000 2.264 571 c HA 0.833 5.404 4.570 0.000 0.000 0.322 571 c C 0.604 174.609 174.090 -0.141 0.000 1.210 571 c CA -0.497 55.706 56.329 -0.210 0.000 1.539 571 c CB -0.815 41.575 42.510 -0.200 0.000 2.167 571 c HN 0.897 nan 8.230 nan 0.000 0.463 572 S N 0.000 115.623 115.700 -0.128 0.000 2.498 572 S HA 0.000 4.470 4.470 0.000 0.000 0.327 572 S CA 0.000 58.148 58.200 -0.087 0.000 1.107 572 S CB 0.000 63.157 63.200 -0.071 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517