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 1v3e_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 0.000 176.000 176.117 -0.196 0.000 1.063 142 I CA 0.000 61.267 61.300 -0.055 0.000 1.566 142 I CB 0.000 37.957 38.000 -0.072 0.000 1.214 143 T N -1.967 112.514 114.554 -0.122 0.000 2.804 143 T HA 0.505 4.855 4.350 -0.000 0.000 0.290 143 T C -0.361 174.312 174.700 -0.046 0.000 1.099 143 T CA -0.609 61.382 62.100 -0.182 0.000 1.011 143 T CB 1.311 70.068 68.868 -0.185 0.000 1.291 143 T HN 0.041 nan 8.240 nan 0.000 0.523 144 H N 1.055 120.133 119.070 0.012 0.000 2.929 144 H HA 0.197 4.753 4.556 0.000 0.000 0.358 144 H C 0.109 175.445 175.328 0.012 0.000 1.111 144 H CA 0.281 56.343 56.048 0.023 0.000 1.409 144 H CB 0.117 29.894 29.762 0.025 0.000 1.373 144 H HN 0.605 nan 8.280 nan 0.000 0.610 145 D N 0.378 120.861 120.400 0.138 0.000 2.419 145 D HA -0.038 4.602 4.640 -0.000 0.000 0.236 145 D C 0.399 176.754 176.300 0.091 0.000 1.165 145 D CA -0.141 53.911 54.000 0.087 0.000 0.882 145 D CB 0.866 41.693 40.800 0.045 0.000 1.201 145 D HN 0.186 nan 8.370 nan 0.000 0.443 146 V N 1.640 121.617 119.914 0.104 0.000 2.901 146 V HA 0.312 4.432 4.120 -0.000 0.000 0.307 146 V C 1.483 177.582 176.094 0.009 0.000 1.084 146 V CA 1.520 63.875 62.300 0.091 0.000 1.184 146 V CB 0.633 32.541 31.823 0.142 0.000 0.941 146 V HN 0.881 nan 8.190 nan 0.000 0.493 147 G N 4.939 113.647 108.800 -0.154 0.000 2.199 147 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 147 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 147 G C 0.049 174.777 174.900 -0.286 0.000 0.982 147 G CA 0.275 44.999 45.100 -0.628 0.000 0.632 147 G HN 0.842 nan 8.290 nan 0.000 0.529 148 I N 1.921 122.448 120.570 -0.072 0.000 2.331 148 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 148 I C 0.443 176.557 176.117 -0.005 0.000 0.998 148 I CA -0.426 60.848 61.300 -0.043 0.000 1.267 148 I CB 1.293 39.221 38.000 -0.119 0.000 1.386 148 I HN 0.324 nan 8.210 nan 0.000 0.476 149 K N 5.865 126.266 120.400 0.001 0.000 2.536 149 K HA 0.640 4.960 4.320 -0.000 0.000 0.269 149 K C -3.127 173.501 176.600 0.046 0.000 0.965 149 K CA -2.110 54.210 56.287 0.055 0.000 0.860 149 K CB 1.546 34.093 32.500 0.079 0.000 1.423 149 K HN 0.008 nan 8.250 nan 0.000 0.438 150 P HA -0.036 nan 4.420 nan 0.000 0.266 150 P C -0.492 176.872 177.300 0.107 0.000 1.195 150 P CA -0.243 62.925 63.100 0.113 0.000 0.768 150 P CB 0.396 32.208 31.700 0.186 0.000 0.838 151 L N 3.750 125.006 121.223 0.055 0.000 2.477 151 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 151 L C 0.427 177.414 176.870 0.194 0.000 1.157 151 L CA -0.024 54.835 54.840 0.031 0.000 0.889 151 L CB -0.053 41.875 42.059 -0.217 0.000 1.158 151 L HN 0.304 nan 8.230 nan 0.000 0.473 152 N N 6.751 125.564 118.700 0.188 0.000 2.457 152 N HA 0.329 5.069 4.740 -0.000 0.000 0.250 152 N C -2.077 173.592 175.510 0.265 0.000 0.982 152 N CA -2.369 50.807 53.050 0.211 0.000 0.941 152 N CB 1.692 40.292 38.487 0.188 0.000 1.120 152 N HN 0.308 nan 8.380 nan 0.000 0.505 153 P HA -0.121 nan 4.420 nan 0.000 0.217 153 P C 0.773 178.275 177.300 0.337 0.000 1.148 153 P CA 0.920 64.207 63.100 0.312 0.000 0.828 153 P CB 0.412 32.220 31.700 0.181 0.000 0.783 154 D N -0.792 119.766 120.400 0.263 0.000 2.144 154 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 154 D C 1.163 177.591 176.300 0.214 0.000 0.984 154 D CA 1.178 55.311 54.000 0.222 0.000 0.834 154 D CB -0.049 40.855 40.800 0.174 0.000 0.955 154 D HN 0.135 nan 8.370 nan 0.000 0.465 155 D N -0.679 119.858 120.400 0.227 0.000 2.216 155 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 155 D C 1.737 178.178 176.300 0.234 0.000 0.960 155 D CA 0.129 54.248 54.000 0.197 0.000 0.861 155 D CB -0.435 40.476 40.800 0.185 0.000 0.985 155 D HN 0.203 nan 8.370 nan 0.000 0.493 156 F N 0.314 120.363 119.950 0.166 0.000 2.163 156 F HA -0.027 4.500 4.527 -0.000 0.000 0.297 156 F C 1.097 177.022 175.800 0.209 0.000 1.094 156 F CA 0.760 58.867 58.000 0.179 0.000 1.290 156 F CB 0.040 39.173 39.000 0.222 0.000 1.017 156 F HN -0.016 nan 8.300 nan 0.000 0.483 157 W N 4.678 126.006 121.300 0.047 0.000 1.496 157 W HA 0.266 4.926 4.660 -0.000 0.000 0.422 157 W C -0.439 176.042 176.519 -0.064 0.000 0.638 157 W CA -0.133 57.177 57.345 -0.057 0.000 2.105 157 W CB -0.448 29.069 29.460 0.094 0.000 1.639 157 W HN -0.028 nan 8.180 nan 0.000 0.304 158 R N 0.444 120.771 120.500 -0.289 0.000 2.799 158 R HA 0.556 4.896 4.340 -0.000 0.000 0.270 158 R C -1.357 174.766 176.300 -0.294 0.000 1.010 158 R CA -0.596 55.374 56.100 -0.216 0.000 0.916 158 R CB 2.136 32.393 30.300 -0.072 0.000 1.228 158 R HN -0.035 nan 8.270 nan 0.000 0.469 159 c N 0.057 118.529 118.600 -0.214 0.000 2.888 159 c HA 0.299 4.869 4.570 -0.000 0.000 0.308 159 c C 1.649 175.668 174.090 -0.119 0.000 1.213 159 c CA -0.569 55.644 56.329 -0.194 0.000 1.461 159 c CB 2.152 44.535 42.510 -0.212 0.000 1.934 159 c HN 1.028 nan 8.230 nan 0.000 0.474 160 T N -1.179 113.315 114.554 -0.100 0.000 2.985 160 T HA 0.109 4.459 4.350 -0.000 0.000 0.266 160 T C 0.485 175.148 174.700 -0.062 0.000 1.076 160 T CA 0.922 62.982 62.100 -0.067 0.000 1.135 160 T CB -0.145 68.690 68.868 -0.056 0.000 0.890 160 T HN 0.964 nan 8.240 nan 0.000 0.480 161 S N -0.856 114.799 115.700 -0.074 0.000 2.537 161 S HA 0.678 5.148 4.470 -0.000 0.000 0.270 161 S C 0.076 174.629 174.600 -0.079 0.000 1.142 161 S CA -0.439 57.723 58.200 -0.063 0.000 0.870 161 S CB 1.524 64.693 63.200 -0.051 0.000 1.112 161 S HN 1.425 nan 8.310 nan 0.000 0.466 162 G N 0.684 109.443 108.800 -0.068 0.000 2.725 162 G HA2 0.007 3.967 3.960 -0.000 0.000 0.220 162 G HA3 0.007 3.967 3.960 -0.000 0.000 0.220 162 G C -1.308 173.534 174.900 -0.097 0.000 1.357 162 G CA -0.362 44.693 45.100 -0.076 0.000 0.866 162 G HN 1.177 nan 8.290 nan 0.000 0.548 163 L N 1.394 122.552 121.223 -0.109 0.000 2.341 163 L HA 0.642 4.982 4.340 -0.000 0.000 0.267 163 L C -1.921 174.812 176.870 -0.228 0.000 1.009 163 L CA -2.076 52.683 54.840 -0.134 0.000 0.819 163 L CB 2.745 44.765 42.059 -0.065 0.000 1.323 163 L HN 0.557 nan 8.230 nan 0.000 0.425 164 P HA 0.300 nan 4.420 nan 0.000 0.282 164 P C -1.260 175.768 177.300 -0.453 0.000 1.249 164 P CA -0.291 62.400 63.100 -0.681 0.000 0.806 164 P CB 1.812 32.681 31.700 -1.384 0.000 0.984 165 S N 1.489 116.993 115.700 -0.327 0.000 2.611 165 S HA 0.492 4.963 4.470 -0.000 0.000 0.268 165 S C -0.843 173.858 174.600 0.167 0.000 1.156 165 S CA -0.983 57.287 58.200 0.117 0.000 0.817 165 S CB 0.482 63.745 63.200 0.104 0.000 1.122 165 S HN 0.236 nan 8.310 nan 0.000 0.466 166 L N 1.378 122.786 121.223 0.308 0.000 2.371 166 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 166 L C 0.014 176.944 176.870 0.099 0.000 1.124 166 L CA -0.467 54.504 54.840 0.218 0.000 0.816 166 L CB 0.728 42.929 42.059 0.237 0.000 1.129 166 L HN 0.634 nan 8.230 nan 0.000 0.448 167 M N 2.533 122.157 119.600 0.040 0.000 2.314 167 M HA 0.303 4.783 4.480 -0.000 0.000 0.342 167 M C 0.629 176.944 176.300 0.024 0.000 1.171 167 M CA -0.407 54.902 55.300 0.015 0.000 1.098 167 M CB 1.500 34.090 32.600 -0.017 0.000 1.559 167 M HN 0.424 nan 8.290 nan 0.000 0.459 168 K N 0.400 120.816 120.400 0.026 0.000 2.243 168 K HA 0.051 4.371 4.320 -0.000 0.000 0.201 168 K C 0.282 176.892 176.600 0.017 0.000 1.051 168 K CA 0.881 57.185 56.287 0.029 0.000 0.970 168 K CB 0.275 32.792 32.500 0.028 0.000 0.755 168 K HN 0.905 nan 8.250 nan 0.000 0.465 169 T N -0.545 114.013 114.554 0.007 0.000 2.923 169 T HA 0.336 4.686 4.350 -0.000 0.000 0.311 169 T C -2.947 171.748 174.700 -0.008 0.000 1.183 169 T CA -1.880 60.221 62.100 0.001 0.000 1.020 169 T CB 2.125 70.995 68.868 0.002 0.000 1.165 169 T HN -0.184 nan 8.240 nan 0.000 0.482 170 P HA 0.263 nan 4.420 nan 0.000 0.275 170 P C -0.421 176.878 177.300 -0.002 0.000 1.228 170 P CA -0.543 62.555 63.100 -0.004 0.000 0.786 170 P CB 0.854 32.551 31.700 -0.005 0.000 0.927 171 K N 2.482 122.886 120.400 0.007 0.000 2.485 171 K HA 0.067 4.387 4.320 -0.000 0.000 0.277 171 K C 0.789 177.400 176.600 0.018 0.000 0.990 171 K CA -0.382 55.914 56.287 0.016 0.000 0.994 171 K CB -0.062 32.447 32.500 0.016 0.000 0.906 171 K HN 0.472 nan 8.250 nan 0.000 0.488 172 I N 0.591 121.181 120.570 0.033 0.000 2.993 172 I HA 0.145 4.315 4.170 -0.000 0.000 0.286 172 I C -0.215 175.934 176.117 0.053 0.000 1.215 172 I CA -0.161 61.166 61.300 0.045 0.000 1.393 172 I CB 0.542 38.610 38.000 0.112 0.000 1.371 172 I HN 0.527 nan 8.210 nan 0.000 0.602 173 R N 4.091 124.629 120.500 0.063 0.000 2.725 173 R HA 0.624 4.964 4.340 -0.000 0.000 0.277 173 R C -1.175 175.183 176.300 0.097 0.000 0.987 173 R CA -1.006 55.134 56.100 0.067 0.000 0.901 173 R CB 2.148 32.480 30.300 0.054 0.000 1.207 173 R HN 0.573 nan 8.270 nan 0.000 0.463 174 L N 2.666 123.953 121.223 0.107 0.000 2.439 174 L HA 0.282 4.622 4.340 -0.000 0.000 0.269 174 L C 0.225 177.170 176.870 0.124 0.000 1.179 174 L CA 0.252 55.182 54.840 0.151 0.000 0.828 174 L CB 0.448 42.621 42.059 0.191 0.000 1.106 174 L HN 0.440 nan 8.230 nan 0.000 0.467 175 M N 5.062 124.740 119.600 0.129 0.000 2.069 175 M HA 0.302 4.782 4.480 -0.000 0.000 0.349 175 M C -2.092 174.254 176.300 0.077 0.000 1.194 175 M CA -1.710 53.645 55.300 0.092 0.000 1.081 175 M CB 1.140 33.791 32.600 0.085 0.000 1.500 175 M HN 0.318 nan 8.290 nan 0.000 0.438 176 P HA 0.621 nan 4.420 nan 0.000 0.277 176 P C 0.014 177.324 177.300 0.017 0.000 1.276 176 P CA 0.071 63.195 63.100 0.040 0.000 0.788 176 P CB 0.936 32.660 31.700 0.040 0.000 1.114 177 G N -0.902 107.898 108.800 0.000 0.000 2.340 177 G HA2 0.177 4.137 3.960 -0.000 0.000 0.527 177 G HA3 0.177 4.137 3.960 -0.000 0.000 0.527 177 G C -3.089 171.793 174.900 -0.030 0.000 1.381 177 G CA -0.793 44.301 45.100 -0.011 0.000 1.001 177 G HN 0.662 nan 8.290 nan 0.000 0.626 178 P HA 0.568 nan 4.420 nan 0.000 0.275 178 P C 0.337 177.599 177.300 -0.063 0.000 1.228 178 P CA 0.378 63.451 63.100 -0.044 0.000 0.786 178 P CB 1.466 33.147 31.700 -0.032 0.000 0.927 179 G N 1.041 109.793 108.800 -0.080 0.000 2.498 179 G HA2 0.598 4.558 3.960 -0.000 0.000 0.312 179 G HA3 0.598 4.558 3.960 -0.000 0.000 0.312 179 G C -1.530 173.320 174.900 -0.084 0.000 1.230 179 G CA -0.674 44.362 45.100 -0.107 0.000 0.968 179 G HN 0.544 nan 8.290 nan 0.000 0.481 180 L N 2.123 123.294 121.223 -0.088 0.000 2.481 180 L HA 0.421 4.761 4.340 -0.000 0.000 0.255 180 L C -0.977 175.863 176.870 -0.050 0.000 1.192 180 L CA -0.327 54.482 54.840 -0.051 0.000 0.924 180 L CB 0.704 42.746 42.059 -0.028 0.000 1.179 180 L HN 0.269 nan 8.230 nan 0.000 0.491 181 L N 1.953 123.145 121.223 -0.051 0.000 2.346 181 L HA 0.647 4.987 4.340 -0.000 0.000 0.274 181 L C 0.701 177.616 176.870 0.073 0.000 1.007 181 L CA -0.683 54.151 54.840 -0.009 0.000 0.818 181 L CB 2.042 44.038 42.059 -0.106 0.000 1.284 181 L HN 0.485 nan 8.230 nan 0.000 0.424 182 A N 4.214 127.124 122.820 0.152 0.000 2.555 182 A HA 0.417 4.737 4.320 -0.000 0.000 0.233 182 A C -0.061 177.568 177.584 0.075 0.000 1.060 182 A CA 0.288 52.379 52.037 0.090 0.000 0.759 182 A CB 0.165 19.218 19.000 0.088 0.000 0.995 182 A HN 0.790 nan 8.150 nan 0.000 0.506 183 M N 0.928 120.552 119.600 0.040 0.000 2.704 183 M HA 0.768 5.248 4.480 -0.000 0.000 0.284 183 M C -2.940 173.373 176.300 0.023 0.000 1.275 183 M CA -2.121 53.206 55.300 0.045 0.000 0.811 183 M CB 1.140 33.768 32.600 0.046 0.000 1.741 183 M HN 0.268 nan 8.290 nan 0.000 0.458 184 P HA 0.358 nan 4.420 nan 0.000 0.276 184 P C -0.133 177.173 177.300 0.010 0.000 1.261 184 P CA -0.338 62.777 63.100 0.024 0.000 0.800 184 P CB 0.635 32.366 31.700 0.051 0.000 1.066 185 T N -4.428 110.126 114.554 -0.000 0.000 3.228 185 T HA 0.302 4.652 4.350 -0.000 0.000 0.278 185 T C 0.071 174.781 174.700 0.016 0.000 1.014 185 T CA -0.301 61.798 62.100 -0.002 0.000 0.904 185 T CB -0.960 67.894 68.868 -0.023 0.000 1.110 185 T HN 0.543 nan 8.240 nan 0.000 0.541 186 T N -2.450 112.123 114.554 0.031 0.000 2.916 186 T HA 0.527 4.877 4.350 -0.000 0.000 0.305 186 T C 0.695 175.422 174.700 0.044 0.000 1.119 186 T CA -0.554 61.568 62.100 0.036 0.000 1.008 186 T CB 1.838 70.734 68.868 0.045 0.000 1.129 186 T HN -0.155 nan 8.240 nan 0.000 0.480 187 V N 1.448 121.387 119.914 0.041 0.000 2.970 187 V HA -0.008 4.112 4.120 -0.000 0.000 0.260 187 V C 1.604 177.733 176.094 0.058 0.000 1.100 187 V CA 2.210 64.539 62.300 0.048 0.000 1.122 187 V CB -0.678 31.167 31.823 0.036 0.000 0.721 187 V HN 0.988 nan 8.190 nan 0.000 0.483 188 D N -0.359 120.073 120.400 0.053 0.000 2.339 188 D HA 0.143 4.783 4.640 -0.000 0.000 0.217 188 D C 1.059 177.395 176.300 0.061 0.000 1.050 188 D CA 0.461 54.494 54.000 0.056 0.000 0.856 188 D CB -0.352 40.475 40.800 0.046 0.000 0.922 188 D HN 0.397 nan 8.370 nan 0.000 0.518 189 G N -0.006 108.833 108.800 0.065 0.000 2.544 189 G HA2 0.324 4.284 3.960 -0.000 0.000 0.242 189 G HA3 0.324 4.284 3.960 -0.000 0.000 0.242 189 G C -0.578 174.364 174.900 0.070 0.000 1.247 189 G CA -0.278 44.865 45.100 0.071 0.000 0.840 189 G HN 0.385 nan 8.290 nan 0.000 0.578 190 c N 2.718 121.360 118.600 0.069 0.000 2.547 190 c HA 0.702 5.272 4.570 -0.000 0.000 0.313 190 c C -0.539 173.587 174.090 0.059 0.000 1.191 190 c CA -0.984 55.380 56.329 0.058 0.000 1.474 190 c CB 0.319 42.862 42.510 0.055 0.000 2.081 190 c HN 0.582 nan 8.230 nan 0.000 0.476 191 I N 6.341 126.940 120.570 0.048 0.000 2.406 191 I HA 0.573 4.743 4.170 -0.000 0.000 0.290 191 I C 0.005 176.148 176.117 0.043 0.000 0.999 191 I CA -0.256 61.074 61.300 0.051 0.000 1.124 191 I CB 1.605 39.641 38.000 0.061 0.000 1.289 191 I HN 0.882 nan 8.210 nan 0.000 0.441 192 R N 2.201 122.716 120.500 0.025 0.000 2.846 192 R HA 0.634 4.974 4.340 -0.000 0.000 0.263 192 R C -0.722 175.514 176.300 -0.105 0.000 1.080 192 R CA -0.715 55.389 56.100 0.006 0.000 0.961 192 R CB 1.129 31.465 30.300 0.059 0.000 1.231 192 R HN 0.441 nan 8.270 nan 0.000 0.465 193 T N 0.225 114.615 114.554 -0.272 0.000 3.860 193 T HA -0.073 4.277 4.350 -0.000 0.000 0.378 193 T C -2.349 172.078 174.700 -0.455 0.000 0.761 193 T CA 0.457 62.162 62.100 -0.658 0.000 2.004 193 T CB -1.540 67.082 68.868 -0.410 0.000 1.778 193 T HN 0.671 nan 8.240 nan 0.000 0.801 194 P HA 0.482 nan 4.420 nan 0.000 0.276 194 P C -0.331 176.886 177.300 -0.138 0.000 1.230 194 P CA -0.089 62.951 63.100 -0.100 0.000 0.776 194 P CB 1.476 33.308 31.700 0.220 0.000 0.888 195 S N 2.813 118.443 115.700 -0.116 0.000 2.594 195 S HA 0.563 5.033 4.470 -0.000 0.000 0.296 195 S C -1.253 173.431 174.600 0.140 0.000 1.124 195 S CA -0.658 57.534 58.200 -0.015 0.000 1.011 195 S CB 0.294 63.468 63.200 -0.044 0.000 1.016 195 S HN 0.368 nan 8.310 nan 0.000 0.485 196 L N 6.001 127.365 121.223 0.235 0.000 2.362 196 L HA 0.893 5.233 4.340 -0.000 0.000 0.275 196 L C -1.108 175.913 176.870 0.251 0.000 0.998 196 L CA -0.486 54.537 54.840 0.306 0.000 0.820 196 L CB 1.703 43.929 42.059 0.278 0.000 1.270 196 L HN 0.492 nan 8.230 nan 0.000 0.415 197 V N 6.409 126.483 119.914 0.265 0.000 2.789 197 V HA 0.685 4.805 4.120 -0.000 0.000 0.311 197 V C -1.000 175.253 176.094 0.266 0.000 1.073 197 V CA -0.436 62.006 62.300 0.236 0.000 0.921 197 V CB 2.207 34.151 31.823 0.202 0.000 1.009 197 V HN 0.731 nan 8.190 nan 0.000 0.426 198 I N 6.311 127.029 120.570 0.247 0.000 2.569 198 I HA 0.535 4.705 4.170 -0.000 0.000 0.290 198 I C -0.743 175.529 176.117 0.257 0.000 1.088 198 I CA -0.597 60.869 61.300 0.277 0.000 1.047 198 I CB 2.250 40.381 38.000 0.218 0.000 1.237 198 I HN 0.856 nan 8.210 nan 0.000 0.421 199 N N 2.738 121.607 118.700 0.282 0.000 3.184 199 N HA 0.301 5.042 4.740 -0.000 0.000 0.353 199 N C 0.086 175.760 175.510 0.274 0.000 1.441 199 N CA -0.610 52.575 53.050 0.225 0.000 0.723 199 N CB 0.320 38.897 38.487 0.150 0.000 1.547 199 N HN 0.314 nan 8.380 nan 0.000 0.624 200 D N -0.743 119.766 120.400 0.181 0.000 2.310 200 D HA 0.070 4.710 4.640 -0.000 0.000 0.212 200 D C 1.261 177.620 176.300 0.099 0.000 0.965 200 D CA 0.854 54.963 54.000 0.181 0.000 0.879 200 D CB 0.171 41.039 40.800 0.113 0.000 0.921 200 D HN 0.442 nan 8.370 nan 0.000 0.510 201 L N -0.712 120.443 121.223 -0.114 0.000 2.515 201 L HA 0.290 4.630 4.340 -0.000 0.000 0.202 201 L C 1.160 177.487 176.870 -0.904 0.000 1.056 201 L CA 0.134 54.725 54.840 -0.414 0.000 0.847 201 L CB 0.160 42.079 42.059 -0.233 0.000 1.131 201 L HN -0.085 nan 8.230 nan 0.000 0.484 202 I N -3.286 116.993 120.570 -0.485 0.000 3.466 202 I HA 0.531 4.701 4.170 -0.000 0.000 0.311 202 I C -1.197 175.066 176.117 0.242 0.000 1.155 202 I CA -1.086 60.081 61.300 -0.221 0.000 0.959 202 I CB 2.115 40.071 38.000 -0.074 0.000 1.332 202 I HN -0.005 nan 8.210 nan 0.000 0.483 203 Y N 0.426 120.840 120.300 0.190 0.000 2.609 203 Y HA 0.961 5.511 4.550 0.000 0.000 0.342 203 Y C -1.126 174.863 175.900 0.148 0.000 1.058 203 Y CA -1.023 57.179 58.100 0.170 0.000 1.055 203 Y CB 1.466 39.990 38.460 0.107 0.000 1.292 203 Y HN 0.920 nan 8.280 nan 0.000 0.476 204 A N 1.676 124.583 122.820 0.146 0.000 2.572 204 A HA 0.696 5.016 4.320 -0.000 0.000 0.295 204 A C -2.602 175.170 177.584 0.313 0.000 1.072 204 A CA -0.718 51.342 52.037 0.038 0.000 0.691 204 A CB 1.558 20.600 19.000 0.069 0.000 1.291 204 A HN 1.107 nan 8.150 nan 0.000 0.404 205 Y N 0.480 120.861 120.300 0.135 0.000 2.433 205 Y HA 0.714 5.264 4.550 -0.000 0.000 0.337 205 Y C -0.455 175.506 175.900 0.102 0.000 1.026 205 Y CA -0.188 58.007 58.100 0.158 0.000 1.037 205 Y CB 2.095 40.686 38.460 0.219 0.000 1.245 205 Y HN 0.877 nan 8.280 nan 0.000 0.443 206 T N 4.037 118.208 114.554 -0.639 0.000 2.906 206 T HA 0.844 5.194 4.350 -0.000 0.000 0.295 206 T C -1.397 172.897 174.700 -0.676 0.000 1.061 206 T CA -0.108 61.691 62.100 -0.502 0.000 1.000 206 T CB 0.899 69.660 68.868 -0.179 0.000 1.103 206 T HN 0.973 nan 8.240 nan 0.000 0.486 207 S N 2.930 118.391 115.700 -0.399 0.000 2.596 207 S HA 0.547 5.017 4.470 -0.000 0.000 0.270 207 S C -1.411 173.130 174.600 -0.098 0.000 1.155 207 S CA -1.081 56.962 58.200 -0.263 0.000 0.827 207 S CB 1.516 64.603 63.200 -0.188 0.000 1.130 207 S HN 0.749 nan 8.310 nan 0.000 0.467 208 N N 0.474 119.140 118.700 -0.057 0.000 2.392 208 N HA 0.495 5.235 4.740 -0.000 0.000 0.283 208 N C -1.806 173.736 175.510 0.053 0.000 1.003 208 N CA -0.480 52.574 53.050 0.007 0.000 0.892 208 N CB 1.342 39.820 38.487 -0.016 0.000 1.193 208 N HN 0.642 nan 8.380 nan 0.000 0.487 209 L N 5.337 126.630 121.223 0.115 0.000 2.305 209 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 209 L C -1.266 175.708 176.870 0.173 0.000 1.013 209 L CA -0.426 54.502 54.840 0.146 0.000 0.819 209 L CB 0.920 43.082 42.059 0.171 0.000 1.227 209 L HN 0.433 nan 8.230 nan 0.000 0.417 210 I N 4.036 124.678 120.570 0.119 0.000 2.378 210 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 210 I C 1.371 177.552 176.117 0.106 0.000 0.992 210 I CA -0.213 61.144 61.300 0.095 0.000 1.154 210 I CB 2.064 40.101 38.000 0.062 0.000 1.315 210 I HN 0.788 nan 8.210 nan 0.000 0.448 211 T N 2.116 116.737 114.554 0.112 0.000 3.035 211 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 211 T C 0.910 175.655 174.700 0.075 0.000 1.109 211 T CA 0.695 62.862 62.100 0.112 0.000 1.119 211 T CB -0.021 68.921 68.868 0.124 0.000 0.900 211 T HN 0.577 nan 8.240 nan 0.000 0.503 212 R N 0.302 120.838 120.500 0.060 0.000 2.631 212 R HA 0.490 4.830 4.340 -0.000 0.000 0.289 212 R C -0.105 176.223 176.300 0.046 0.000 1.303 212 R CA 0.287 56.417 56.100 0.049 0.000 0.989 212 R CB 0.676 31.000 30.300 0.040 0.000 1.208 212 R HN 0.503 nan 8.270 nan 0.000 0.461 213 G N 1.389 110.219 108.800 0.049 0.000 2.795 213 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.664 213 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.664 213 G C 0.259 175.189 174.900 0.051 0.000 1.381 213 G CA -0.318 44.811 45.100 0.048 0.000 0.853 213 G HN 0.644 nan 8.290 nan 0.000 0.545 214 c N 1.342 119.972 118.600 0.051 0.000 2.791 214 c HA 0.303 4.873 4.570 -0.000 0.000 0.270 214 c C 0.847 174.971 174.090 0.057 0.000 1.257 214 c CA 0.049 56.412 56.329 0.056 0.000 1.699 214 c CB -0.974 41.573 42.510 0.061 0.000 1.904 214 c HN 0.654 nan 8.230 nan 0.000 0.603 215 Q N 1.272 121.101 119.800 0.049 0.000 2.205 215 Q HA 0.315 4.655 4.340 -0.000 0.000 0.249 215 Q C -0.645 175.377 176.000 0.037 0.000 0.948 215 Q CA -0.504 55.326 55.803 0.046 0.000 0.895 215 Q CB 0.542 29.305 28.738 0.042 0.000 1.249 215 Q HN 0.214 nan 8.270 nan 0.000 0.458 216 D N 1.443 121.863 120.400 0.032 0.000 2.493 216 D HA 0.028 4.668 4.640 -0.000 0.000 0.240 216 D C 0.415 176.725 176.300 0.016 0.000 1.142 216 D CA 0.115 54.129 54.000 0.023 0.000 0.872 216 D CB 0.396 41.208 40.800 0.020 0.000 1.173 216 D HN 0.622 nan 8.370 nan 0.000 0.467 217 I N 0.177 120.752 120.570 0.009 0.000 3.966 217 I HA 0.410 4.580 4.170 -0.000 0.000 0.324 217 I C 1.099 177.212 176.117 -0.007 0.000 1.517 217 I CA -0.368 60.935 61.300 0.004 0.000 1.117 217 I CB 0.234 38.238 38.000 0.007 0.000 1.190 217 I HN 0.518 nan 8.210 nan 0.000 0.466 218 G N 1.807 110.602 108.800 -0.008 0.000 2.184 218 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.264 218 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 218 G C 0.057 174.937 174.900 -0.034 0.000 0.975 218 G CA 0.315 45.404 45.100 -0.017 0.000 0.642 218 G HN 0.523 nan 8.290 nan 0.000 0.536 219 K N -0.171 120.203 120.400 -0.043 0.000 2.523 219 K HA 0.657 4.977 4.320 -0.000 0.000 0.257 219 K C -0.627 175.918 176.600 -0.092 0.000 0.932 219 K CA -0.011 56.226 56.287 -0.084 0.000 0.812 219 K CB 2.474 34.914 32.500 -0.100 0.000 1.326 219 K HN 0.857 nan 8.250 nan 0.000 0.433 220 S N 0.547 116.160 115.700 -0.144 0.000 2.614 220 S HA 0.393 4.863 4.470 -0.000 0.000 0.280 220 S C -1.646 172.879 174.600 -0.124 0.000 1.111 220 S CA -1.022 57.119 58.200 -0.098 0.000 0.847 220 S CB 0.232 63.431 63.200 -0.002 0.000 1.079 220 S HN 0.431 nan 8.310 nan 0.000 0.452 221 Y N 0.833 121.155 120.300 0.037 0.000 2.352 221 Y HA 0.706 5.256 4.550 -0.000 0.000 0.326 221 Y C 0.527 176.464 175.900 0.062 0.000 1.166 221 Y CA -0.404 57.731 58.100 0.058 0.000 1.182 221 Y CB 1.197 39.688 38.460 0.052 0.000 1.216 221 Y HN 0.787 nan 8.280 nan 0.000 0.474 222 Q N 1.598 121.565 119.800 0.277 0.000 2.322 222 Q HA 0.610 4.950 4.340 -0.000 0.000 0.265 222 Q C -1.846 174.329 176.000 0.292 0.000 0.985 222 Q CA -0.623 55.291 55.803 0.185 0.000 0.849 222 Q CB 1.516 30.293 28.738 0.066 0.000 1.274 222 Q HN 0.547 nan 8.270 nan 0.000 0.449 223 V N 5.275 125.285 119.914 0.160 0.000 2.378 223 V HA 0.440 4.560 4.120 -0.000 0.000 0.288 223 V C -1.007 175.146 176.094 0.098 0.000 1.016 223 V CA -0.883 61.497 62.300 0.134 0.000 0.840 223 V CB 1.337 33.192 31.823 0.054 0.000 0.994 223 V HN 0.734 nan 8.190 nan 0.000 0.431 224 L N 5.163 126.498 121.223 0.187 0.000 2.287 224 L HA 0.602 4.942 4.340 -0.000 0.000 0.287 224 L C -0.266 176.674 176.870 0.118 0.000 1.022 224 L CA 0.193 55.135 54.840 0.170 0.000 0.814 224 L CB 1.555 43.830 42.059 0.359 0.000 1.217 224 L HN 0.832 nan 8.230 nan 0.000 0.420 225 Q N 5.395 125.253 119.800 0.096 0.000 2.312 225 Q HA 0.687 5.027 4.340 -0.000 0.000 0.263 225 Q C -1.713 174.262 176.000 -0.041 0.000 0.995 225 Q CA -0.620 55.222 55.803 0.065 0.000 0.853 225 Q CB 1.662 30.515 28.738 0.191 0.000 1.300 225 Q HN 0.782 nan 8.270 nan 0.000 0.448 226 I N 2.626 123.106 120.570 -0.151 0.000 2.608 226 I HA 0.778 4.948 4.170 -0.000 0.000 0.295 226 I C 0.117 176.009 176.117 -0.374 0.000 1.049 226 I CA -0.766 60.365 61.300 -0.283 0.000 1.063 226 I CB 2.384 40.318 38.000 -0.109 0.000 1.248 226 I HN 0.878 nan 8.210 nan 0.000 0.424 227 G N 5.107 113.541 108.800 -0.611 0.000 2.677 227 G HA2 0.734 4.694 3.960 -0.000 0.000 0.283 227 G HA3 0.734 4.694 3.960 -0.000 0.000 0.283 227 G C -1.428 173.476 174.900 0.008 0.000 1.221 227 G CA -0.557 44.403 45.100 -0.234 0.000 0.851 227 G HN 0.696 nan 8.290 nan 0.000 0.504 228 I N -2.374 118.389 120.570 0.322 0.000 3.174 228 I HA 0.721 4.891 4.170 -0.000 0.000 0.313 228 I C -1.189 175.205 176.117 0.461 0.000 1.155 228 I CA -1.479 60.078 61.300 0.428 0.000 0.977 228 I CB 2.422 40.557 38.000 0.225 0.000 1.248 228 I HN 0.366 nan 8.210 nan 0.000 0.453 229 I N 2.358 123.211 120.570 0.471 0.000 2.321 229 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 229 I C -0.122 176.020 176.117 0.042 0.000 0.998 229 I CA -0.167 61.160 61.300 0.045 0.000 1.227 229 I CB 1.816 39.658 38.000 -0.264 0.000 1.368 229 I HN 0.798 nan 8.210 nan 0.000 0.466 230 T N 2.430 116.979 114.554 -0.008 0.000 2.901 230 T HA 0.551 4.901 4.350 -0.000 0.000 0.293 230 T C -0.431 174.221 174.700 -0.081 0.000 1.084 230 T CA -0.794 61.292 62.100 -0.023 0.000 1.008 230 T CB 1.775 70.655 68.868 0.021 0.000 1.170 230 T HN 0.099 nan 8.240 nan 0.000 0.509 231 V N 3.947 123.810 119.914 -0.085 0.000 2.508 231 V HA 0.263 4.383 4.120 -0.000 0.000 0.281 231 V C 0.810 176.879 176.094 -0.042 0.000 1.041 231 V CA -0.550 61.694 62.300 -0.094 0.000 1.016 231 V CB -0.311 31.491 31.823 -0.035 0.000 0.984 231 V HN 1.044 nan 8.190 nan 0.000 0.478 232 N N 3.635 122.305 118.700 -0.049 0.000 2.514 232 N HA 0.126 4.866 4.740 -0.000 0.000 0.299 232 N C 1.407 176.911 175.510 -0.011 0.000 1.292 232 N CA -0.069 52.965 53.050 -0.026 0.000 0.963 232 N CB 0.085 38.554 38.487 -0.030 0.000 1.124 232 N HN 0.472 nan 8.380 nan 0.000 0.580 233 S N -2.096 113.600 115.700 -0.006 0.000 2.474 233 S HA -0.097 4.373 4.470 -0.000 0.000 0.235 233 S C 0.333 174.936 174.600 0.005 0.000 0.997 233 S CA 0.821 59.022 58.200 0.002 0.000 0.949 233 S CB -0.453 62.749 63.200 0.002 0.000 0.766 233 S HN 0.543 nan 8.310 nan 0.000 0.517 234 D N 1.360 121.760 120.400 0.000 0.000 2.325 234 D HA 0.276 4.916 4.640 -0.000 0.000 0.225 234 D C 0.621 176.926 176.300 0.009 0.000 1.096 234 D CA 0.076 54.080 54.000 0.007 0.000 0.844 234 D CB 0.051 40.855 40.800 0.007 0.000 0.925 234 D HN 0.418 nan 8.370 nan 0.000 0.513 235 L N -0.586 120.641 121.223 0.007 0.000 3.865 235 L HA -0.208 4.132 4.340 -0.000 0.000 0.408 235 L C -0.085 176.787 176.870 0.003 0.000 1.209 235 L CA 0.121 54.974 54.840 0.022 0.000 0.940 235 L CB -2.278 39.808 42.059 0.046 0.000 1.971 235 L HN -0.011 nan 8.230 nan 0.000 0.899 236 V N -4.416 115.456 119.914 -0.070 0.000 2.914 236 V HA 0.814 4.934 4.120 -0.000 0.000 0.314 236 V C -2.422 173.500 176.094 -0.286 0.000 1.084 236 V CA -2.399 59.776 62.300 -0.209 0.000 0.963 236 V CB 1.943 33.640 31.823 -0.210 0.000 1.025 236 V HN -0.103 nan 8.190 nan 0.000 0.432 237 P HA 0.371 nan 4.420 nan 0.000 0.266 237 P C -1.084 176.146 177.300 -0.116 0.000 1.195 237 P CA 0.602 63.480 63.100 -0.369 0.000 0.768 237 P CB 0.346 31.736 31.700 -0.516 0.000 0.838 238 D N 1.239 121.638 120.400 -0.002 0.000 2.609 238 D HA 0.289 4.929 4.640 -0.000 0.000 0.239 238 D C -0.952 175.254 176.300 -0.157 0.000 1.229 238 D CA -0.568 53.465 54.000 0.055 0.000 0.808 238 D CB 1.257 42.046 40.800 -0.017 0.000 1.448 238 D HN 0.077 nan 8.370 nan 0.000 0.433 239 L N 2.145 123.122 121.223 -0.409 0.000 2.453 239 L HA 0.277 4.617 4.340 -0.000 0.000 0.272 239 L C 0.697 177.473 176.870 -0.155 0.000 1.182 239 L CA 0.059 54.563 54.840 -0.560 0.000 0.858 239 L CB 0.332 41.875 42.059 -0.861 0.000 1.120 239 L HN 0.328 nan 8.230 nan 0.000 0.474 240 N N 4.813 123.552 118.700 0.064 0.000 2.682 240 N HA 0.309 5.049 4.740 -0.000 0.000 0.252 240 N C -2.636 173.001 175.510 0.212 0.000 1.081 240 N CA -1.492 51.625 53.050 0.113 0.000 0.844 240 N CB 1.533 40.075 38.487 0.092 0.000 1.167 240 N HN 0.294 nan 8.380 nan 0.000 0.523 241 P HA 0.088 nan 4.420 nan 0.000 0.268 241 P C -0.176 177.138 177.300 0.022 0.000 1.205 241 P CA -0.161 63.005 63.100 0.109 0.000 0.771 241 P CB 1.404 33.161 31.700 0.094 0.000 0.858 242 R N 2.116 122.592 120.500 -0.040 0.000 2.225 242 R HA 0.359 4.699 4.340 -0.000 0.000 0.194 242 R C 0.979 177.196 176.300 -0.139 0.000 0.949 242 R CA 0.530 56.590 56.100 -0.067 0.000 1.088 242 R CB -0.368 29.901 30.300 -0.051 0.000 1.106 242 R HN 0.620 nan 8.270 nan 0.000 0.566 243 I N -3.239 117.217 120.570 -0.191 0.000 2.994 243 I HA 0.619 4.789 4.170 -0.000 0.000 0.306 243 I C -0.875 175.082 176.117 -0.266 0.000 1.195 243 I CA -0.987 60.155 61.300 -0.263 0.000 1.001 243 I CB 2.621 40.411 38.000 -0.350 0.000 1.244 243 I HN -0.159 nan 8.210 nan 0.000 0.437 244 S N 1.372 116.847 115.700 -0.375 0.000 2.549 244 S HA 0.632 5.102 4.470 -0.000 0.000 0.280 244 S C -1.439 172.836 174.600 -0.542 0.000 1.109 244 S CA -0.431 57.590 58.200 -0.298 0.000 0.905 244 S CB 1.332 64.437 63.200 -0.159 0.000 1.081 244 S HN 0.787 nan 8.310 nan 0.000 0.477 245 H N 1.577 120.574 119.070 -0.123 0.000 2.759 245 H HA 0.371 4.927 4.556 -0.000 0.000 0.354 245 H C -0.928 174.253 175.328 -0.246 0.000 1.074 245 H CA -0.503 55.395 56.048 -0.249 0.000 1.226 245 H CB 1.946 31.475 29.762 -0.389 0.000 1.648 245 H HN 0.497 nan 8.280 nan 0.000 0.529 246 T N 4.174 118.637 114.554 -0.152 0.000 2.758 246 T HA 0.313 4.663 4.350 -0.000 0.000 0.285 246 T C 0.079 174.707 174.700 -0.120 0.000 0.981 246 T CA -0.497 61.574 62.100 -0.049 0.000 0.965 246 T CB 0.105 68.948 68.868 -0.042 0.000 0.927 246 T HN 0.181 nan 8.240 nan 0.000 0.448 247 F N 2.593 122.609 119.950 0.110 0.000 2.375 247 F HA 0.306 4.833 4.527 0.000 0.000 0.333 247 F C 1.253 177.113 175.800 0.101 0.000 1.104 247 F CA -1.027 57.019 58.000 0.076 0.000 1.149 247 F CB 0.567 39.587 39.000 0.033 0.000 1.190 247 F HN 0.402 nan 8.300 nan 0.000 0.533 248 N N 3.309 122.135 118.700 0.211 0.000 2.236 248 N HA -0.166 4.574 4.740 -0.000 0.000 0.274 248 N C 1.125 176.630 175.510 -0.008 0.000 1.339 248 N CA 0.450 53.556 53.050 0.093 0.000 0.845 248 N CB 0.229 38.752 38.487 0.060 0.000 1.091 248 N HN 0.823 nan 8.380 nan 0.000 0.489 249 I N 3.848 124.302 120.570 -0.193 0.000 2.335 249 I HA -0.335 3.835 4.170 -0.000 0.000 0.251 249 I C 1.185 177.160 176.117 -0.236 0.000 1.129 249 I CA 1.457 62.466 61.300 -0.484 0.000 1.402 249 I CB -0.003 37.428 38.000 -0.948 0.000 1.069 249 I HN 0.622 nan 8.210 nan 0.000 0.424 250 N N 0.540 119.156 118.700 -0.140 0.000 2.459 250 N HA -0.157 4.583 4.740 -0.000 0.000 0.181 250 N C 1.050 176.525 175.510 -0.058 0.000 1.046 250 N CA 0.854 53.852 53.050 -0.087 0.000 0.904 250 N CB 0.016 38.467 38.487 -0.059 0.000 0.964 250 N HN 0.357 nan 8.380 nan 0.000 0.444 251 D N 0.695 121.070 120.400 -0.041 0.000 2.224 251 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 251 D C 0.313 176.593 176.300 -0.033 0.000 0.965 251 D CA 0.679 54.664 54.000 -0.026 0.000 0.852 251 D CB -0.371 40.428 40.800 -0.001 0.000 0.947 251 D HN 0.109 nan 8.370 nan 0.000 0.494 252 N N 0.886 119.561 118.700 -0.042 0.000 2.725 252 N HA -0.221 4.519 4.740 -0.000 0.000 0.251 252 N C -0.949 174.548 175.510 -0.023 0.000 1.031 252 N CA 0.225 53.253 53.050 -0.035 0.000 0.720 252 N CB -0.957 37.510 38.487 -0.033 0.000 0.930 252 N HN 0.183 nan 8.380 nan 0.000 0.543 253 R N 0.634 121.115 120.500 -0.031 0.000 2.623 253 R HA 0.182 4.522 4.340 -0.000 0.000 0.271 253 R C 0.232 176.518 176.300 -0.024 0.000 1.043 253 R CA 0.219 56.290 56.100 -0.049 0.000 1.083 253 R CB 0.535 30.772 30.300 -0.106 0.000 0.974 253 R HN 0.154 nan 8.270 nan 0.000 0.436 254 K N 0.237 120.636 120.400 -0.001 0.000 2.509 254 K HA 0.162 4.482 4.320 -0.000 0.000 0.266 254 K C -0.163 176.468 176.600 0.052 0.000 0.987 254 K CA -0.859 55.444 56.287 0.027 0.000 0.868 254 K CB 2.000 34.538 32.500 0.065 0.000 1.421 254 K HN 0.548 nan 8.250 nan 0.000 0.444 255 S N 0.116 115.845 115.700 0.048 0.000 3.581 255 S HA -0.182 4.288 4.470 -0.000 0.000 0.354 255 S C 0.023 174.650 174.600 0.045 0.000 1.059 255 S CA 0.335 58.587 58.200 0.086 0.000 1.060 255 S CB -1.558 61.768 63.200 0.210 0.000 0.908 255 S HN 0.545 nan 8.310 nan 0.000 0.475 256 c N 2.018 120.596 118.600 -0.036 0.000 2.652 256 c HA 0.631 5.201 4.570 -0.000 0.000 0.412 256 c C 1.127 175.190 174.090 -0.044 0.000 1.294 256 c CA -0.404 55.880 56.329 -0.075 0.000 2.127 256 c CB 0.962 43.398 42.510 -0.124 0.000 2.691 256 c HN 0.689 nan 8.230 nan 0.000 0.615 257 S N 1.386 117.070 115.700 -0.027 0.000 2.600 257 S HA 0.769 5.239 4.470 -0.000 0.000 0.300 257 S C -0.781 173.971 174.600 0.252 0.000 1.087 257 S CA -0.486 57.790 58.200 0.126 0.000 0.965 257 S CB 0.944 64.292 63.200 0.247 0.000 1.089 257 S HN 0.532 nan 8.310 nan 0.000 0.496 258 L N 1.517 122.944 121.223 0.341 0.000 2.333 258 L HA 0.939 5.279 4.340 -0.000 0.000 0.269 258 L C -0.260 176.808 176.870 0.330 0.000 1.010 258 L CA -0.782 54.274 54.840 0.360 0.000 0.818 258 L CB 1.823 44.004 42.059 0.203 0.000 1.306 258 L HN 0.748 nan 8.230 nan 0.000 0.430 259 A N 2.405 125.359 122.820 0.223 0.000 2.572 259 A HA 0.846 5.166 4.320 -0.000 0.000 0.295 259 A C -1.498 176.118 177.584 0.054 0.000 1.072 259 A CA -0.494 51.513 52.037 -0.051 0.000 0.691 259 A CB 1.713 20.366 19.000 -0.578 0.000 1.291 259 A HN 0.589 nan 8.150 nan 0.000 0.404 260 L N 1.171 122.398 121.223 0.007 0.000 2.346 260 L HA 0.604 4.944 4.340 -0.000 0.000 0.276 260 L C -0.803 175.993 176.870 -0.125 0.000 1.006 260 L CA -0.507 54.349 54.840 0.027 0.000 0.817 260 L CB 1.904 44.005 42.059 0.070 0.000 1.272 260 L HN 0.666 nan 8.230 nan 0.000 0.421 261 L N 4.421 125.539 121.223 -0.175 0.000 2.384 261 L HA 0.383 4.723 4.340 -0.000 0.000 0.261 261 L C 0.070 176.797 176.870 -0.239 0.000 1.024 261 L CA 0.109 54.642 54.840 -0.513 0.000 0.899 261 L CB 0.159 41.859 42.059 -0.598 0.000 1.243 261 L HN 0.888 nan 8.230 nan 0.000 0.449 262 N N 0.825 119.431 118.700 -0.158 0.000 1.629 262 N HA -0.340 4.400 4.740 -0.000 0.000 0.153 262 N C 0.536 176.011 175.510 -0.059 0.000 0.652 262 N CA 2.084 55.091 53.050 -0.071 0.000 1.156 262 N CB -0.761 37.685 38.487 -0.068 0.000 1.324 262 N HN 0.661 nan 8.380 nan 0.000 0.449 263 T N -1.851 112.668 114.554 -0.059 0.000 3.145 263 T HA 0.263 4.613 4.350 -0.000 0.000 0.255 263 T C -0.541 174.214 174.700 0.092 0.000 1.039 263 T CA -0.038 62.035 62.100 -0.045 0.000 0.928 263 T CB 0.053 68.806 68.868 -0.192 0.000 1.029 263 T HN 0.214 nan 8.240 nan 0.000 0.554 264 D N 1.333 121.780 120.400 0.078 0.000 2.193 264 D HA 0.508 5.148 4.640 -0.000 0.000 0.249 264 D C -0.600 175.810 176.300 0.183 0.000 1.034 264 D CA -0.436 53.642 54.000 0.129 0.000 0.902 264 D CB 2.164 43.068 40.800 0.174 0.000 1.182 264 D HN 0.052 nan 8.370 nan 0.000 0.436 265 V N 2.744 122.752 119.914 0.157 0.000 2.459 265 V HA 0.248 4.368 4.120 -0.000 0.000 0.295 265 V C -0.875 175.336 176.094 0.195 0.000 1.029 265 V CA -0.714 61.704 62.300 0.196 0.000 0.874 265 V CB 0.943 32.844 31.823 0.129 0.000 0.985 265 V HN 0.374 nan 8.190 nan 0.000 0.438 266 Y N 3.204 123.571 120.300 0.111 0.000 2.331 266 Y HA 0.540 5.090 4.550 0.000 0.000 0.338 266 Y C 0.270 176.338 175.900 0.280 0.000 0.992 266 Y CA -0.482 57.736 58.100 0.198 0.000 1.121 266 Y CB 1.670 40.288 38.460 0.263 0.000 1.184 266 Y HN 0.597 nan 8.280 nan 0.000 0.469 267 Q N 3.982 123.896 119.800 0.190 0.000 2.327 267 Q HA 0.534 4.874 4.340 -0.000 0.000 0.270 267 Q C -2.064 173.837 176.000 -0.166 0.000 1.022 267 Q CA -1.005 54.816 55.803 0.031 0.000 0.773 267 Q CB 1.364 30.022 28.738 -0.133 0.000 1.251 267 Q HN 0.710 nan 8.270 nan 0.000 0.457 268 L N 4.463 125.445 121.223 -0.401 0.000 2.296 268 L HA 0.609 4.949 4.340 -0.000 0.000 0.286 268 L C -1.479 175.179 176.870 -0.353 0.000 1.023 268 L CA -0.020 54.470 54.840 -0.584 0.000 0.812 268 L CB 1.303 42.582 42.059 -1.300 0.000 1.223 268 L HN 0.871 nan 8.230 nan 0.000 0.421 269 c N 1.644 120.094 118.600 -0.251 0.000 3.080 269 c HA 0.764 5.334 4.570 -0.000 0.000 0.307 269 c C 0.026 174.046 174.090 -0.116 0.000 1.311 269 c CA -0.845 55.388 56.329 -0.160 0.000 1.533 269 c CB 2.058 44.469 42.510 -0.165 0.000 1.970 269 c HN 0.800 nan 8.230 nan 0.000 0.467 270 S N 0.166 115.839 115.700 -0.043 0.000 2.608 270 S HA 0.748 5.218 4.470 -0.000 0.000 0.291 270 S C -0.092 174.498 174.600 -0.018 0.000 1.146 270 S CA -0.118 58.052 58.200 -0.050 0.000 1.043 270 S CB 0.835 64.049 63.200 0.023 0.000 1.037 270 S HN 0.965 nan 8.310 nan 0.000 0.520 271 T N 1.952 116.484 114.554 -0.037 0.000 3.401 271 T HA 0.462 4.812 4.350 -0.000 0.000 0.341 271 T C -2.821 171.871 174.700 -0.012 0.000 1.674 271 T CA -1.523 60.564 62.100 -0.021 0.000 1.600 271 T CB 0.549 69.394 68.868 -0.037 0.000 0.974 271 T HN 0.465 nan 8.240 nan 0.000 0.672 272 P HA 0.280 nan 4.420 nan 0.000 0.271 272 P C -0.024 177.284 177.300 0.014 0.000 1.216 272 P CA -0.339 62.785 63.100 0.039 0.000 0.771 272 P CB 1.304 33.097 31.700 0.155 0.000 0.864 273 K N 1.005 121.402 120.400 -0.005 0.000 2.358 273 K HA 0.193 4.513 4.320 -0.000 0.000 0.197 273 K C 0.606 177.199 176.600 -0.011 0.000 1.025 273 K CA 0.034 56.313 56.287 -0.012 0.000 1.104 273 K CB 0.450 32.936 32.500 -0.023 0.000 0.855 273 K HN 0.421 nan 8.250 nan 0.000 0.531 274 V N -1.354 118.558 119.914 -0.004 0.000 3.130 274 V HA 0.367 4.487 4.120 -0.000 0.000 0.310 274 V C -1.061 175.033 176.094 -0.001 0.000 1.158 274 V CA -1.517 60.776 62.300 -0.011 0.000 1.029 274 V CB 1.675 33.483 31.823 -0.025 0.000 1.057 274 V HN 0.155 nan 8.190 nan 0.000 0.436 275 D N -0.201 120.186 120.400 -0.020 0.000 2.384 275 D HA 0.154 4.794 4.640 -0.000 0.000 0.244 275 D C 0.978 177.257 176.300 -0.035 0.000 1.251 275 D CA 0.233 54.216 54.000 -0.029 0.000 0.961 275 D CB 0.819 41.587 40.800 -0.053 0.000 1.116 275 D HN 0.840 nan 8.370 nan 0.000 0.484 276 E N -0.378 119.784 120.200 -0.062 0.000 2.038 276 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 276 E C 1.978 178.506 176.600 -0.119 0.000 1.000 276 E CA 1.005 57.370 56.400 -0.060 0.000 0.803 276 E CB 0.074 29.697 29.700 -0.129 0.000 0.750 276 E HN 0.388 nan 8.360 nan 0.000 0.448 277 R N -0.074 120.220 120.500 -0.343 0.000 2.120 277 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 277 R C 2.591 178.761 176.300 -0.217 0.000 1.123 277 R CA 1.344 57.163 56.100 -0.468 0.000 0.975 277 R CB -0.146 29.735 30.300 -0.699 0.000 0.866 277 R HN 0.074 nan 8.270 nan 0.000 0.446 278 S N 0.548 116.160 115.700 -0.147 0.000 2.402 278 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 278 S C 1.393 175.957 174.600 -0.060 0.000 1.021 278 S CA 1.261 59.407 58.200 -0.090 0.000 0.974 278 S CB -0.181 62.976 63.200 -0.071 0.000 0.800 278 S HN 0.318 nan 8.310 nan 0.000 0.484 279 D N 0.399 120.774 120.400 -0.042 0.000 2.117 279 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 279 D C 1.562 177.781 176.300 -0.135 0.000 0.982 279 D CA 1.270 55.224 54.000 -0.076 0.000 0.828 279 D CB -0.250 40.536 40.800 -0.023 0.000 0.967 279 D HN 0.422 nan 8.370 nan 0.000 0.464 280 Y N 0.662 120.891 120.300 -0.119 0.000 2.274 280 Y HA -0.039 4.511 4.550 0.000 0.000 0.290 280 Y C 2.491 178.341 175.900 -0.083 0.000 1.145 280 Y CA 1.236 59.279 58.100 -0.096 0.000 1.203 280 Y CB -0.515 37.863 38.460 -0.137 0.000 0.984 280 Y HN 0.033 nan 8.280 nan 0.000 0.533 281 A N -0.313 122.525 122.820 0.030 0.000 1.969 281 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 281 A C 1.419 178.985 177.584 -0.030 0.000 1.169 281 A CA 1.071 53.107 52.037 -0.001 0.000 0.635 281 A CB -0.864 18.121 19.000 -0.025 0.000 0.810 281 A HN 0.325 nan 8.150 nan 0.000 0.445 282 S N 0.236 115.901 115.700 -0.058 0.000 2.499 282 S HA 0.563 5.033 4.470 -0.000 0.000 0.279 282 S C -2.960 171.578 174.600 -0.104 0.000 1.219 282 S CA -1.720 56.437 58.200 -0.072 0.000 1.062 282 S CB 1.134 64.290 63.200 -0.074 0.000 0.978 282 S HN 0.053 nan 8.310 nan 0.000 0.489 283 P HA 0.473 nan 4.420 nan 0.000 0.269 283 P C 0.475 177.686 177.300 -0.149 0.000 1.209 283 P CA 0.972 63.992 63.100 -0.134 0.000 0.776 283 P CB 0.269 31.905 31.700 -0.106 0.000 0.876 284 G N 1.541 110.222 108.800 -0.198 0.000 2.785 284 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.686 284 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.686 284 G C -0.489 174.291 174.900 -0.199 0.000 1.155 284 G CA -0.415 44.569 45.100 -0.194 0.000 0.760 284 G HN 0.668 nan 8.290 nan 0.000 0.624 285 I N -1.478 118.972 120.570 -0.199 0.000 2.783 285 I HA 0.830 5.000 4.170 -0.000 0.000 0.312 285 I C 0.345 176.356 176.117 -0.176 0.000 0.988 285 I CA -1.213 59.959 61.300 -0.214 0.000 1.182 285 I CB 1.226 39.105 38.000 -0.202 0.000 1.368 285 I HN 0.459 nan 8.210 nan 0.000 0.511 286 E N 2.203 122.264 120.200 -0.232 0.000 2.374 286 E HA 0.134 4.484 4.350 -0.000 0.000 0.260 286 E C -0.841 175.664 176.600 -0.158 0.000 1.101 286 E CA -0.298 55.998 56.400 -0.175 0.000 0.907 286 E CB 0.479 30.072 29.700 -0.179 0.000 1.014 286 E HN 0.533 nan 8.360 nan 0.000 0.427 287 D N 0.898 121.240 120.400 -0.098 0.000 2.419 287 D HA 0.112 4.752 4.640 -0.000 0.000 0.236 287 D C 0.080 176.331 176.300 -0.081 0.000 1.165 287 D CA 0.529 54.492 54.000 -0.062 0.000 0.882 287 D CB 0.479 41.253 40.800 -0.043 0.000 1.201 287 D HN 0.222 nan 8.370 nan 0.000 0.443 288 I N 0.906 121.458 120.570 -0.031 0.000 2.509 288 I HA 0.289 4.459 4.170 -0.000 0.000 0.293 288 I C -0.544 175.612 176.117 0.064 0.000 1.020 288 I CA -0.911 60.358 61.300 -0.051 0.000 1.088 288 I CB 2.066 39.987 38.000 -0.131 0.000 1.267 288 I HN -0.069 nan 8.210 nan 0.000 0.430 289 V N 6.229 126.141 119.914 -0.004 0.000 2.680 289 V HA 0.460 4.580 4.120 -0.000 0.000 0.309 289 V C -0.783 175.303 176.094 -0.014 0.000 1.052 289 V CA -0.724 61.588 62.300 0.019 0.000 0.908 289 V CB 2.278 34.062 31.823 -0.065 0.000 1.001 289 V HN 0.411 nan 8.190 nan 0.000 0.431 290 L N 4.318 125.588 121.223 0.077 0.000 2.325 290 L HA 0.681 5.021 4.340 -0.000 0.000 0.281 290 L C -0.806 176.044 176.870 -0.033 0.000 1.004 290 L CA 0.141 54.997 54.840 0.027 0.000 0.823 290 L CB 1.618 43.792 42.059 0.191 0.000 1.236 290 L HN 0.577 nan 8.230 nan 0.000 0.415 291 D N 6.323 126.653 120.400 -0.116 0.000 2.192 291 D HA 0.491 5.131 4.640 -0.000 0.000 0.246 291 D C -0.553 175.651 176.300 -0.159 0.000 1.042 291 D CA 0.081 54.011 54.000 -0.116 0.000 0.847 291 D CB 2.474 43.146 40.800 -0.214 0.000 1.186 291 D HN 0.443 nan 8.370 nan 0.000 0.461 292 I N 1.537 121.989 120.570 -0.198 0.000 2.439 292 I HA 0.228 4.398 4.170 -0.000 0.000 0.285 292 I C -0.588 175.406 176.117 -0.205 0.000 1.021 292 I CA -0.914 60.154 61.300 -0.386 0.000 1.091 292 I CB 2.105 39.759 38.000 -0.576 0.000 1.242 292 I HN -0.081 nan 8.210 nan 0.000 0.439 293 V N 5.661 125.481 119.914 -0.155 0.000 2.409 293 V HA 0.344 4.464 4.120 -0.000 0.000 0.291 293 V C -0.060 175.992 176.094 -0.069 0.000 1.020 293 V CA -0.756 61.466 62.300 -0.131 0.000 0.848 293 V CB 1.494 33.234 31.823 -0.139 0.000 0.990 293 V HN 0.704 nan 8.190 nan 0.000 0.430 294 N N 2.018 120.684 118.700 -0.058 0.000 2.463 294 N HA 0.272 5.012 4.740 -0.000 0.000 0.270 294 N C 0.570 176.116 175.510 0.060 0.000 1.205 294 N CA -0.636 52.426 53.050 0.020 0.000 0.974 294 N CB 0.808 39.304 38.487 0.015 0.000 1.197 294 N HN 0.656 nan 8.380 nan 0.000 0.504 295 Y N 1.140 121.435 120.300 -0.008 0.000 2.207 295 Y HA -0.231 4.319 4.550 -0.000 0.000 0.287 295 Y C 1.669 177.577 175.900 0.014 0.000 1.156 295 Y CA 1.768 59.868 58.100 0.001 0.000 1.182 295 Y CB -0.293 38.161 38.460 -0.011 0.000 0.979 295 Y HN 0.681 nan 8.280 nan 0.000 0.521 296 D N -1.737 118.690 120.400 0.045 0.000 2.311 296 D HA -0.068 4.572 4.640 -0.000 0.000 0.212 296 D C 1.920 178.200 176.300 -0.033 0.000 0.972 296 D CA 1.347 55.345 54.000 -0.003 0.000 0.887 296 D CB -0.770 40.043 40.800 0.021 0.000 0.915 296 D HN 0.439 nan 8.370 nan 0.000 0.497 297 G N -0.292 108.494 108.800 -0.023 0.000 2.179 297 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 297 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 297 G C 0.296 175.171 174.900 -0.041 0.000 0.990 297 G CA 0.355 45.495 45.100 0.068 0.000 0.646 297 G HN 0.872 nan 8.290 nan 0.000 0.517 298 S N -0.066 115.595 115.700 -0.066 0.000 2.580 298 S HA 0.757 5.227 4.470 -0.000 0.000 0.274 298 S C 0.099 174.616 174.600 -0.138 0.000 1.329 298 S CA -0.390 57.759 58.200 -0.085 0.000 1.036 298 S CB 1.707 64.878 63.200 -0.049 0.000 0.919 298 S HN 0.658 nan 8.310 nan 0.000 0.515 299 I N 2.156 122.646 120.570 -0.133 0.000 2.498 299 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 299 I C -0.229 175.847 176.117 -0.068 0.000 1.032 299 I CA -0.635 60.592 61.300 -0.122 0.000 1.073 299 I CB 2.431 40.342 38.000 -0.149 0.000 1.251 299 I HN 0.855 nan 8.210 nan 0.000 0.426 300 S N 3.423 119.084 115.700 -0.065 0.000 2.473 300 S HA 0.679 5.149 4.470 -0.000 0.000 0.307 300 S C -0.589 173.988 174.600 -0.039 0.000 1.094 300 S CA -0.441 57.728 58.200 -0.052 0.000 1.070 300 S CB 1.770 64.933 63.200 -0.062 0.000 1.019 300 S HN 0.551 nan 8.310 nan 0.000 0.480 301 T N 3.216 117.754 114.554 -0.027 0.000 2.824 301 T HA 0.636 4.986 4.350 -0.000 0.000 0.282 301 T C -0.827 173.832 174.700 -0.069 0.000 0.993 301 T CA -0.466 61.619 62.100 -0.025 0.000 0.967 301 T CB 1.720 70.598 68.868 0.017 0.000 0.960 301 T HN 0.729 nan 8.240 nan 0.000 0.441 302 T N 3.134 117.634 114.554 -0.089 0.000 2.848 302 T HA 0.488 4.838 4.350 -0.000 0.000 0.285 302 T C -0.302 174.221 174.700 -0.295 0.000 0.995 302 T CA -0.751 61.214 62.100 -0.225 0.000 0.970 302 T CB 1.523 70.228 68.868 -0.272 0.000 0.976 302 T HN 0.434 nan 8.240 nan 0.000 0.441 303 R N 2.469 122.749 120.500 -0.366 0.000 2.312 303 R HA 0.554 4.894 4.340 -0.000 0.000 0.311 303 R C -1.466 174.559 176.300 -0.458 0.000 1.004 303 R CA -0.537 55.401 56.100 -0.270 0.000 0.902 303 R CB 0.453 30.657 30.300 -0.161 0.000 1.073 303 R HN 0.473 nan 8.270 nan 0.000 0.457 304 F N 3.823 123.720 119.950 -0.089 0.000 2.427 304 F HA 0.412 4.939 4.527 0.000 0.000 0.348 304 F C 0.260 176.009 175.800 -0.084 0.000 1.125 304 F CA -0.691 57.255 58.000 -0.090 0.000 0.989 304 F CB 1.646 40.575 39.000 -0.119 0.000 1.165 304 F HN 0.286 nan 8.300 nan 0.000 0.442 305 K N 1.153 121.591 120.400 0.064 0.000 2.107 305 K HA 0.149 4.469 4.320 -0.000 0.000 0.251 305 K C 0.957 177.603 176.600 0.076 0.000 1.012 305 K CA -0.521 55.787 56.287 0.035 0.000 0.920 305 K CB 0.842 33.341 32.500 -0.001 0.000 1.033 305 K HN 0.547 nan 8.250 nan 0.000 0.478 306 N N 1.537 120.272 118.700 0.058 0.000 2.091 306 N HA -0.264 4.476 4.740 -0.000 0.000 0.193 306 N C 1.188 176.801 175.510 0.171 0.000 1.021 306 N CA 2.266 55.390 53.050 0.124 0.000 0.862 306 N CB -0.125 38.370 38.487 0.012 0.000 1.018 306 N HN 0.595 nan 8.380 nan 0.000 0.429 307 N N -0.923 117.828 118.700 0.085 0.000 2.512 307 N HA -0.051 4.689 4.740 -0.000 0.000 0.183 307 N C 0.552 176.108 175.510 0.075 0.000 1.073 307 N CA 0.963 54.059 53.050 0.076 0.000 0.911 307 N CB -0.517 37.990 38.487 0.033 0.000 0.964 307 N HN 0.411 nan 8.380 nan 0.000 0.447 308 N N -0.583 118.169 118.700 0.086 0.000 2.463 308 N HA 0.199 4.939 4.740 -0.000 0.000 0.181 308 N C -0.417 175.151 175.510 0.096 0.000 1.078 308 N CA 0.134 53.246 53.050 0.103 0.000 0.902 308 N CB 0.330 38.908 38.487 0.151 0.000 0.970 308 N HN 0.256 nan 8.380 nan 0.000 0.451 309 I N 0.422 120.993 120.570 0.003 0.000 2.392 309 I HA 0.169 4.339 4.170 -0.000 0.000 0.295 309 I C -0.270 175.638 176.117 -0.348 0.000 0.985 309 I CA -0.565 60.561 61.300 -0.289 0.000 1.221 309 I CB 1.731 39.353 38.000 -0.631 0.000 1.366 309 I HN -0.107 nan 8.210 nan 0.000 0.467 310 S N 5.854 121.302 115.700 -0.419 0.000 2.430 310 S HA 0.496 4.966 4.470 -0.000 0.000 0.289 310 S C -0.562 173.719 174.600 -0.532 0.000 1.143 310 S CA -0.432 57.576 58.200 -0.320 0.000 1.067 310 S CB 0.066 63.117 63.200 -0.248 0.000 0.964 310 S HN 0.223 nan 8.310 nan 0.000 0.485 311 F N 2.119 121.922 119.950 -0.245 0.000 2.458 311 F HA 0.295 4.822 4.527 0.000 0.000 0.330 311 F C 1.526 177.175 175.800 -0.252 0.000 1.082 311 F CA -1.123 56.722 58.000 -0.260 0.000 0.995 311 F CB 1.031 39.962 39.000 -0.116 0.000 1.170 311 F HN 0.508 nan 8.300 nan 0.000 0.478 312 D N -0.095 120.258 120.400 -0.078 0.000 2.277 312 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 312 D C -0.133 176.214 176.300 0.079 0.000 0.962 312 D CA 0.744 54.692 54.000 -0.086 0.000 0.865 312 D CB -0.025 40.727 40.800 -0.080 0.000 0.939 312 D HN 0.706 nan 8.370 nan 0.000 0.510 313 Q N -1.319 118.580 119.800 0.166 0.000 2.527 313 Q HA 0.489 4.829 4.340 -0.000 0.000 0.280 313 Q C -3.301 172.725 176.000 0.044 0.000 0.977 313 Q CA -2.007 53.847 55.803 0.086 0.000 0.837 313 Q CB 1.450 30.214 28.738 0.044 0.000 1.454 313 Q HN -0.244 nan 8.270 nan 0.000 0.387 314 P HA 0.061 nan 4.420 nan 0.000 0.267 314 P C -1.482 175.577 177.300 -0.403 0.000 1.200 314 P CA 0.285 63.174 63.100 -0.350 0.000 0.772 314 P CB 0.143 31.625 31.700 -0.362 0.000 0.855 315 Y N 0.030 119.899 120.300 -0.718 0.000 2.468 315 Y HA 0.521 5.071 4.550 0.000 0.000 0.342 315 Y C 1.285 176.915 175.900 -0.451 0.000 1.021 315 Y CA -0.699 57.092 58.100 -0.515 0.000 1.079 315 Y CB 1.668 39.838 38.460 -0.483 0.000 1.226 315 Y HN 0.386 nan 8.280 nan 0.000 0.460 316 A N 1.840 124.516 122.820 -0.240 0.000 1.984 316 A HA 0.619 4.939 4.320 -0.000 0.000 0.214 316 A C 0.513 177.905 177.584 -0.321 0.000 1.173 316 A CA 1.040 52.928 52.037 -0.249 0.000 0.673 316 A CB -0.061 18.818 19.000 -0.203 0.000 0.830 316 A HN 0.736 nan 8.150 nan 0.000 0.453 317 A N -1.163 121.438 122.820 -0.365 0.000 2.566 317 A HA 0.636 4.956 4.320 -0.000 0.000 0.297 317 A C -1.707 175.690 177.584 -0.313 0.000 1.059 317 A CA -0.344 51.380 52.037 -0.521 0.000 0.691 317 A CB 1.146 19.472 19.000 -1.124 0.000 1.282 317 A HN 1.031 nan 8.150 nan 0.000 0.401 318 L N 1.589 122.532 121.223 -0.466 0.000 2.562 318 L HA 0.753 5.093 4.340 -0.000 0.000 0.266 318 L C -2.212 174.295 176.870 -0.605 0.000 0.949 318 L CA -0.151 54.480 54.840 -0.347 0.000 0.879 318 L CB 1.316 43.194 42.059 -0.302 0.000 1.278 318 L HN 0.672 nan 8.230 nan 0.000 0.404 319 Y N 4.636 124.771 120.300 -0.275 0.000 2.499 319 Y HA 0.702 5.252 4.550 -0.000 0.000 0.347 319 Y C -2.259 173.623 175.900 -0.030 0.000 0.987 319 Y CA -2.149 55.838 58.100 -0.188 0.000 1.044 319 Y CB 1.999 40.313 38.460 -0.243 0.000 1.245 319 Y HN 0.482 nan 8.280 nan 0.000 0.461 320 P HA 0.000 nan 4.420 nan 0.000 0.270 320 P C 0.303 177.815 177.300 0.354 0.000 1.223 320 P CA 0.114 63.298 63.100 0.139 0.000 0.785 320 P CB 0.709 32.402 31.700 -0.010 0.000 0.923 321 S N 0.230 116.154 115.700 0.373 0.000 2.603 321 S HA 0.008 4.478 4.470 -0.000 0.000 0.220 321 S C 1.202 175.973 174.600 0.286 0.000 0.967 321 S CA 0.515 58.965 58.200 0.417 0.000 0.920 321 S CB -0.962 62.456 63.200 0.363 0.000 0.773 321 S HN 0.279 nan 8.310 nan 0.000 0.529 322 V N -0.434 119.599 119.914 0.197 0.000 0.508 322 V HA -0.274 3.846 4.120 -0.000 0.000 0.092 322 V C 1.574 177.677 176.094 0.015 0.000 2.282 322 V CA 1.615 63.931 62.300 0.027 0.000 3.591 322 V CB -2.342 29.426 31.823 -0.092 0.000 0.878 322 V HN 0.866 nan 8.190 nan 0.000 0.919 323 G N 3.508 112.365 108.800 0.094 0.000 2.559 323 G HA2 0.397 4.357 3.960 -0.000 0.000 0.235 323 G HA3 0.397 4.357 3.960 -0.000 0.000 0.235 323 G C -1.793 173.267 174.900 0.267 0.000 1.266 323 G CA 0.337 45.593 45.100 0.261 0.000 0.847 323 G HN 0.595 nan 8.290 nan 0.000 0.583 324 P HA 0.191 nan 4.420 nan 0.000 0.272 324 P C 0.547 177.961 177.300 0.191 0.000 1.240 324 P CA 0.026 63.265 63.100 0.231 0.000 0.791 324 P CB 1.063 32.880 31.700 0.195 0.000 0.978 325 G N 0.178 109.023 108.800 0.076 0.000 2.671 325 G HA2 0.709 4.669 3.960 -0.000 0.000 0.275 325 G HA3 0.709 4.669 3.960 -0.000 0.000 0.275 325 G C -0.227 174.590 174.900 -0.138 0.000 1.368 325 G CA -0.995 44.022 45.100 -0.139 0.000 1.044 325 G HN 0.669 nan 8.290 nan 0.000 0.543 326 I N -3.912 116.552 120.570 -0.176 0.000 3.145 326 I HA 0.681 4.851 4.170 -0.000 0.000 0.313 326 I C -1.829 174.289 176.117 0.001 0.000 1.122 326 I CA -1.351 59.920 61.300 -0.047 0.000 0.987 326 I CB 2.660 40.649 38.000 -0.019 0.000 1.236 326 I HN 0.378 nan 8.210 nan 0.000 0.453 327 Y N 3.291 123.556 120.300 -0.058 0.000 2.388 327 Y HA 0.578 5.128 4.550 0.000 0.000 0.328 327 Y C -2.025 173.926 175.900 0.084 0.000 0.963 327 Y CA -1.406 56.662 58.100 -0.053 0.000 1.240 327 Y CB 0.923 39.340 38.460 -0.072 0.000 1.118 327 Y HN 0.562 nan 8.280 nan 0.000 0.484 328 Y N 6.336 126.449 120.300 -0.311 0.000 2.373 328 Y HA 0.412 4.962 4.550 0.000 0.000 0.336 328 Y C -0.259 175.447 175.900 -0.323 0.000 0.979 328 Y CA -1.503 56.425 58.100 -0.287 0.000 1.080 328 Y CB 1.009 39.396 38.460 -0.121 0.000 1.190 328 Y HN 0.555 nan 8.280 nan 0.000 0.446 329 K N 4.377 124.345 120.400 -0.720 0.000 3.077 329 K HA -0.209 4.111 4.320 -0.000 0.000 0.264 329 K C 0.856 177.218 176.600 -0.397 0.000 1.008 329 K CA 1.184 57.112 56.287 -0.597 0.000 0.740 329 K CB -1.923 30.190 32.500 -0.645 0.000 1.273 329 K HN 1.579 nan 8.250 nan 0.000 0.477 330 G N -1.107 107.367 108.800 -0.543 0.000 2.176 330 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.253 330 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.253 330 G C -0.068 174.837 174.900 0.009 0.000 0.979 330 G CA 0.709 45.656 45.100 -0.256 0.000 0.641 330 G HN 0.364 nan 8.290 nan 0.000 0.530 331 K N 0.103 120.474 120.400 -0.048 0.000 2.378 331 K HA 0.577 4.897 4.320 -0.000 0.000 0.252 331 K C -0.142 176.559 176.600 0.170 0.000 0.931 331 K CA -1.117 55.246 56.287 0.127 0.000 0.794 331 K CB 1.812 34.373 32.500 0.102 0.000 1.181 331 K HN 0.008 nan 8.250 nan 0.000 0.425 332 I N 4.289 124.903 120.570 0.074 0.000 2.471 332 I HA 0.191 4.361 4.170 -0.000 0.000 0.286 332 I C 0.126 176.171 176.117 -0.120 0.000 1.079 332 I CA 0.086 61.301 61.300 -0.142 0.000 1.398 332 I CB 0.169 37.851 38.000 -0.529 0.000 1.403 332 I HN 0.478 nan 8.210 nan 0.000 0.530 333 I N 7.054 127.512 120.570 -0.185 0.000 2.466 333 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 333 I C -0.696 175.283 176.117 -0.230 0.000 1.026 333 I CA -0.498 60.738 61.300 -0.107 0.000 1.078 333 I CB 1.782 39.771 38.000 -0.019 0.000 1.249 333 I HN 0.251 nan 8.210 nan 0.000 0.429 334 F N 5.437 125.395 119.950 0.013 0.000 2.470 334 F HA 0.509 5.036 4.527 -0.000 0.000 0.329 334 F C -0.080 175.748 175.800 0.045 0.000 1.072 334 F CA -0.844 57.178 58.000 0.036 0.000 0.989 334 F CB 1.700 40.715 39.000 0.024 0.000 1.193 334 F HN 0.234 nan 8.300 nan 0.000 0.481 335 L N 1.701 123.106 121.223 0.305 0.000 2.334 335 L HA 0.838 5.178 4.340 -0.000 0.000 0.277 335 L C -0.122 176.913 176.870 0.276 0.000 1.075 335 L CA 0.212 55.197 54.840 0.242 0.000 0.804 335 L CB 1.002 43.201 42.059 0.234 0.000 1.174 335 L HN 0.648 nan 8.230 nan 0.000 0.438 336 G N 2.879 111.828 108.800 0.250 0.000 2.733 336 G HA2 0.639 4.599 3.960 -0.000 0.000 0.288 336 G HA3 0.639 4.599 3.960 -0.000 0.000 0.288 336 G C -1.985 173.157 174.900 0.402 0.000 1.373 336 G CA -0.310 44.953 45.100 0.271 0.000 0.895 336 G HN 0.832 nan 8.290 nan 0.000 0.479 337 Y N -2.393 118.041 120.300 0.224 0.000 2.638 337 Y HA 0.830 5.380 4.550 -0.000 0.000 0.335 337 Y C 0.148 176.252 175.900 0.340 0.000 1.155 337 Y CA -0.509 57.754 58.100 0.271 0.000 1.046 337 Y CB 1.515 40.138 38.460 0.272 0.000 1.303 337 Y HN 1.516 nan 8.280 nan 0.000 0.460 338 G N -0.229 108.710 108.800 0.231 0.000 2.399 338 G HA2 0.460 4.420 3.960 -0.000 0.000 0.256 338 G HA3 0.460 4.420 3.960 -0.000 0.000 0.256 338 G C -1.418 173.654 174.900 0.287 0.000 1.236 338 G CA -0.313 44.903 45.100 0.193 0.000 0.914 338 G HN 1.373 nan 8.290 nan 0.000 0.482 339 G N -0.327 108.560 108.800 0.145 0.000 2.590 339 G HA2 0.638 4.598 3.960 -0.000 0.000 0.310 339 G HA3 0.638 4.598 3.960 -0.000 0.000 0.310 339 G C -0.234 174.522 174.900 -0.240 0.000 1.347 339 G CA -0.627 44.524 45.100 0.085 0.000 0.963 339 G HN 0.595 nan 8.290 nan 0.000 0.494 340 L N 1.183 122.178 121.223 -0.380 0.000 2.467 340 L HA 0.150 4.490 4.340 -0.000 0.000 0.270 340 L C 1.798 178.437 176.870 -0.385 0.000 1.205 340 L CA -0.193 54.294 54.840 -0.588 0.000 0.828 340 L CB 1.338 43.137 42.059 -0.435 0.000 1.101 340 L HN 0.845 nan 8.230 nan 0.000 0.479 341 E N 0.971 120.885 120.200 -0.477 0.000 2.028 341 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 341 E C 0.158 176.554 176.600 -0.339 0.000 0.984 341 E CA 0.501 56.644 56.400 -0.428 0.000 0.800 341 E CB 0.276 29.628 29.700 -0.581 0.000 0.758 341 E HN 0.500 nan 8.360 nan 0.000 0.448 342 H N 0.910 119.896 119.070 -0.139 0.000 2.652 342 H HA 0.110 4.666 4.556 0.000 0.000 0.349 342 H C -1.899 173.365 175.328 -0.106 0.000 1.099 342 H CA -2.513 53.472 56.048 -0.106 0.000 1.417 342 H CB 0.514 30.224 29.762 -0.088 0.000 1.457 342 H HN 0.212 nan 8.280 nan 0.000 0.568 343 P HA 0.069 nan 4.420 nan 0.000 0.232 343 P C 0.274 177.555 177.300 -0.031 0.000 1.738 343 P CA 0.020 63.092 63.100 -0.047 0.000 0.948 343 P CB -0.758 30.906 31.700 -0.061 0.000 1.943 344 I N 1.377 121.941 120.570 -0.010 0.000 2.872 344 I HA -0.057 4.113 4.170 -0.000 0.000 0.291 344 I C 0.922 177.048 176.117 0.015 0.000 1.216 344 I CA 0.786 62.090 61.300 0.006 0.000 1.424 344 I CB 0.064 38.070 38.000 0.010 0.000 1.351 344 I HN 0.125 nan 8.210 nan 0.000 0.592 345 N N 6.146 124.862 118.700 0.027 0.000 2.531 345 N HA 0.374 5.114 4.740 -0.000 0.000 0.268 345 N C -1.018 174.519 175.510 0.046 0.000 1.023 345 N CA -0.468 52.610 53.050 0.046 0.000 0.896 345 N CB 1.728 40.239 38.487 0.040 0.000 1.233 345 N HN 0.584 nan 8.380 nan 0.000 0.512 346 E N 0.642 120.876 120.200 0.057 0.000 2.339 346 E HA 0.342 4.692 4.350 -0.000 0.000 0.262 346 E C -0.708 175.926 176.600 0.057 0.000 0.934 346 E CA -0.766 55.664 56.400 0.050 0.000 0.802 346 E CB 2.042 31.771 29.700 0.048 0.000 1.275 346 E HN 0.320 nan 8.360 nan 0.000 0.427 347 N N 1.153 119.882 118.700 0.047 0.000 2.437 347 N HA 0.156 4.896 4.740 -0.000 0.000 0.243 347 N C -0.322 175.219 175.510 0.052 0.000 1.041 347 N CA -0.443 52.636 53.050 0.048 0.000 0.940 347 N CB 1.025 39.534 38.487 0.037 0.000 1.133 347 N HN 0.198 nan 8.380 nan 0.000 0.506 348 V N 1.663 121.619 119.914 0.069 0.000 3.133 348 V HA 0.317 4.437 4.120 -0.000 0.000 0.305 348 V C 0.814 176.946 176.094 0.063 0.000 1.084 348 V CA -0.934 61.409 62.300 0.072 0.000 1.089 348 V CB 0.820 32.712 31.823 0.115 0.000 1.073 348 V HN 0.562 nan 8.190 nan 0.000 0.477 349 I N 2.322 122.893 120.570 0.002 0.000 2.775 349 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 349 I C 0.033 176.211 176.117 0.103 0.000 1.203 349 I CA 0.710 61.979 61.300 -0.051 0.000 1.433 349 I CB 0.112 37.922 38.000 -0.318 0.000 1.354 349 I HN 1.068 nan 8.210 nan 0.000 0.579 350 c N 7.301 125.999 118.600 0.163 0.000 3.239 350 c HA 0.555 5.125 4.570 -0.000 0.000 0.329 350 c C -1.351 172.887 174.090 0.246 0.000 1.252 350 c CA -0.628 55.870 56.329 0.281 0.000 1.323 350 c CB 1.701 44.286 42.510 0.125 0.000 1.663 350 c HN 0.892 nan 8.230 nan 0.000 0.487 351 N N 1.001 119.861 118.700 0.268 0.000 2.519 351 N HA 0.366 5.106 4.740 -0.000 0.000 0.291 351 N C -0.009 175.544 175.510 0.071 0.000 1.107 351 N CA 0.214 53.382 53.050 0.197 0.000 0.904 351 N CB 1.913 40.588 38.487 0.313 0.000 1.500 351 N HN 0.861 nan 8.380 nan 0.000 0.510 352 T N -1.447 113.117 114.554 0.016 0.000 3.085 352 T HA 0.174 4.524 4.350 -0.000 0.000 0.264 352 T C 0.316 175.008 174.700 -0.013 0.000 1.019 352 T CA -0.087 61.990 62.100 -0.038 0.000 0.910 352 T CB -0.354 68.477 68.868 -0.062 0.000 1.059 352 T HN 0.304 nan 8.240 nan 0.000 0.542 353 T N 2.762 117.328 114.554 0.021 0.000 2.871 353 T HA 0.416 4.766 4.350 -0.000 0.000 0.296 353 T C 1.489 176.198 174.700 0.016 0.000 0.998 353 T CA 1.003 63.115 62.100 0.021 0.000 1.162 353 T CB 0.042 68.932 68.868 0.037 0.000 0.947 353 T HN 0.786 nan 8.240 nan 0.000 0.536 354 G N 2.316 111.117 108.800 0.003 0.000 2.155 354 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 354 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 354 G C 0.339 175.228 174.900 -0.019 0.000 0.983 354 G CA -0.056 45.043 45.100 -0.002 0.000 0.676 354 G HN 0.826 nan 8.290 nan 0.000 0.528 355 c N 1.739 120.320 118.600 -0.030 0.000 2.439 355 c HA 0.449 5.019 4.570 -0.000 0.000 0.298 355 c C -1.680 172.382 174.090 -0.046 0.000 1.094 355 c CA -1.788 54.509 56.329 -0.053 0.000 1.609 355 c CB 0.231 42.690 42.510 -0.085 0.000 1.723 355 c HN 0.353 nan 8.230 nan 0.000 0.423 356 P HA 0.130 nan 4.420 nan 0.000 0.257 356 P C 1.114 178.394 177.300 -0.032 0.000 1.162 356 P CA 1.928 65.013 63.100 -0.026 0.000 0.762 356 P CB 0.159 31.848 31.700 -0.019 0.000 0.753 357 G N 1.854 110.636 108.800 -0.031 0.000 2.184 357 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 357 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 357 G C 0.255 175.127 174.900 -0.047 0.000 0.975 357 G CA -0.030 45.050 45.100 -0.034 0.000 0.642 357 G HN 0.488 nan 8.290 nan 0.000 0.536 358 K N 1.259 121.622 120.400 -0.063 0.000 2.118 358 K HA 0.644 4.964 4.320 -0.000 0.000 0.264 358 K C 0.704 177.255 176.600 -0.082 0.000 1.000 358 K CA 0.591 56.824 56.287 -0.091 0.000 0.929 358 K CB 1.396 33.814 32.500 -0.136 0.000 1.021 358 K HN 0.620 nan 8.250 nan 0.000 0.463 359 T N -2.508 111.993 114.554 -0.088 0.000 2.838 359 T HA 0.121 4.471 4.350 -0.000 0.000 0.292 359 T C 0.984 175.642 174.700 -0.070 0.000 1.113 359 T CA -0.739 61.323 62.100 -0.064 0.000 1.008 359 T CB 1.459 70.302 68.868 -0.042 0.000 1.259 359 T HN 0.329 nan 8.240 nan 0.000 0.520 360 Q N 0.546 120.323 119.800 -0.039 0.000 2.181 360 Q HA -0.119 4.221 4.340 -0.000 0.000 0.205 360 Q C 2.282 178.269 176.000 -0.021 0.000 0.980 360 Q CA 2.076 57.866 55.803 -0.022 0.000 0.862 360 Q CB -0.343 28.395 28.738 0.000 0.000 0.905 360 Q HN 0.709 nan 8.270 nan 0.000 0.429 361 R N -0.170 120.318 120.500 -0.021 0.000 2.081 361 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 361 R C 1.366 177.646 176.300 -0.034 0.000 1.131 361 R CA 1.804 57.896 56.100 -0.012 0.000 0.960 361 R CB -0.282 30.014 30.300 -0.008 0.000 0.856 361 R HN 0.375 nan 8.270 nan 0.000 0.436 362 D N 0.232 120.589 120.400 -0.071 0.000 2.123 362 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 362 D C 1.979 178.195 176.300 -0.139 0.000 0.992 362 D CA 1.493 55.425 54.000 -0.113 0.000 0.833 362 D CB -0.405 40.298 40.800 -0.161 0.000 0.954 362 D HN 0.357 nan 8.370 nan 0.000 0.455 363 c N 0.811 119.321 118.600 -0.149 0.000 2.429 363 c HA -0.100 4.470 4.570 -0.000 0.000 0.277 363 c C 2.464 176.579 174.090 0.042 0.000 1.262 363 c CA 0.457 56.732 56.329 -0.090 0.000 1.733 363 c CB -1.367 41.127 42.510 -0.028 0.000 2.010 363 c HN 0.420 nan 8.230 nan 0.000 0.483 364 N N 0.122 118.839 118.700 0.029 0.000 2.166 364 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 364 N C 1.831 177.344 175.510 0.005 0.000 1.019 364 N CA 1.033 54.119 53.050 0.060 0.000 0.856 364 N CB -0.194 38.333 38.487 0.068 0.000 0.993 364 N HN 0.678 nan 8.380 nan 0.000 0.426 365 Q N 0.401 120.178 119.800 -0.039 0.000 2.172 365 Q HA 0.031 4.371 4.340 -0.000 0.000 0.200 365 Q C 1.920 177.798 176.000 -0.204 0.000 0.964 365 Q CA 0.993 56.719 55.803 -0.128 0.000 0.855 365 Q CB 0.024 28.732 28.738 -0.049 0.000 0.918 365 Q HN 0.375 nan 8.270 nan 0.000 0.444 366 A N 1.236 124.029 122.820 -0.045 0.000 2.206 366 A HA -0.069 4.251 4.320 -0.000 0.000 0.211 366 A C 2.099 179.846 177.584 0.272 0.000 1.158 366 A CA 1.054 53.151 52.037 0.099 0.000 0.761 366 A CB -0.295 18.798 19.000 0.154 0.000 0.801 366 A HN 0.365 nan 8.150 nan 0.000 0.473 367 S N -0.248 115.538 115.700 0.143 0.000 2.561 367 S HA 0.080 4.550 4.470 -0.000 0.000 0.225 367 S C 0.465 175.142 174.600 0.129 0.000 0.977 367 S CA 0.470 58.806 58.200 0.227 0.000 0.926 367 S CB -0.568 62.738 63.200 0.178 0.000 0.769 367 S HN 0.850 nan 8.310 nan 0.000 0.533 368 H N -1.959 117.261 119.070 0.249 0.000 3.037 368 H HA 0.785 5.341 4.556 -0.000 0.000 0.355 368 H C -1.037 174.482 175.328 0.318 0.000 1.263 368 H CA -0.620 55.511 56.048 0.138 0.000 1.129 368 H CB 1.036 30.833 29.762 0.059 0.000 1.861 368 H HN 0.079 nan 8.280 nan 0.000 0.546 369 S N 0.511 116.493 115.700 0.470 0.000 2.540 369 S HA 0.388 4.858 4.470 -0.000 0.000 0.275 369 S C -2.346 172.505 174.600 0.418 0.000 1.123 369 S CA -1.584 56.866 58.200 0.417 0.000 0.907 369 S CB 1.482 64.931 63.200 0.416 0.000 1.081 369 S HN 0.509 nan 8.310 nan 0.000 0.476 370 P HA -0.033 nan 4.420 nan 0.000 0.219 370 P C 1.281 178.819 177.300 0.397 0.000 1.146 370 P CA 0.693 63.980 63.100 0.310 0.000 0.808 370 P CB -0.084 31.765 31.700 0.247 0.000 0.779 371 W N -0.787 120.654 121.300 0.234 0.000 2.350 371 W HA -0.127 4.533 4.660 0.000 0.000 0.289 371 W C 0.037 176.799 176.519 0.404 0.000 1.215 371 W CA 0.759 58.275 57.345 0.285 0.000 1.236 371 W CB -0.148 29.489 29.460 0.296 0.000 1.130 371 W HN -0.143 nan 8.180 nan 0.000 0.541 372 F N 1.526 121.574 119.950 0.163 0.000 2.925 372 F HA 0.184 4.711 4.527 -0.000 0.000 0.302 372 F C 1.087 176.934 175.800 0.080 0.000 1.189 372 F CA -0.387 57.583 58.000 -0.050 0.000 1.346 372 F CB -0.535 38.329 39.000 -0.226 0.000 0.954 372 F HN -0.261 nan 8.300 nan 0.000 0.506 373 S N 0.571 116.404 115.700 0.222 0.000 3.533 373 S HA -0.270 4.200 4.470 -0.000 0.000 0.347 373 S C 0.442 175.143 174.600 0.168 0.000 1.101 373 S CA 0.812 59.111 58.200 0.166 0.000 1.009 373 S CB -1.318 61.952 63.200 0.118 0.000 0.916 373 S HN 0.680 nan 8.310 nan 0.000 0.496 374 D N -0.920 119.616 120.400 0.228 0.000 3.018 374 D HA -0.175 4.465 4.640 -0.000 0.000 0.224 374 D C 0.336 176.683 176.300 0.077 0.000 1.185 374 D CA 1.185 55.298 54.000 0.189 0.000 0.858 374 D CB -0.361 40.491 40.800 0.087 0.000 1.112 374 D HN 0.496 nan 8.370 nan 0.000 0.415 375 R N 0.639 121.228 120.500 0.147 0.000 2.590 375 R HA 0.249 4.589 4.340 -0.000 0.000 0.274 375 R C 0.660 176.987 176.300 0.045 0.000 1.061 375 R CA -0.261 55.892 56.100 0.088 0.000 1.081 375 R CB 0.235 30.662 30.300 0.211 0.000 0.984 375 R HN -0.010 nan 8.270 nan 0.000 0.448 376 R N 2.076 122.557 120.500 -0.032 0.000 2.351 376 R HA 0.121 4.461 4.340 -0.000 0.000 0.318 376 R C 0.125 176.359 176.300 -0.112 0.000 1.055 376 R CA 0.218 56.295 56.100 -0.037 0.000 0.968 376 R CB 0.291 30.565 30.300 -0.043 0.000 0.974 376 R HN 0.329 nan 8.270 nan 0.000 0.439 377 M N 4.491 123.940 119.600 -0.251 0.000 2.156 377 M HA 0.208 4.688 4.480 -0.000 0.000 0.345 377 M C -0.306 175.885 176.300 -0.182 0.000 1.398 377 M CA -0.396 54.670 55.300 -0.389 0.000 1.148 377 M CB 0.377 32.215 32.600 -1.270 0.000 1.663 377 M HN 0.378 nan 8.290 nan 0.000 0.464 378 V N 2.242 122.149 119.914 -0.011 0.000 3.102 378 V HA 0.702 4.822 4.120 -0.000 0.000 0.312 378 V C -0.517 175.715 176.094 0.229 0.000 1.135 378 V CA -1.116 61.239 62.300 0.092 0.000 1.022 378 V CB 2.307 34.177 31.823 0.079 0.000 1.056 378 V HN 0.764 nan 8.190 nan 0.000 0.436 379 N N 0.271 119.113 118.700 0.237 0.000 2.472 379 N HA 0.797 5.537 4.740 -0.000 0.000 0.289 379 N C -0.722 174.946 175.510 0.263 0.000 1.156 379 N CA -0.384 52.836 53.050 0.284 0.000 0.940 379 N CB 1.839 40.476 38.487 0.250 0.000 1.200 379 N HN 0.941 nan 8.380 nan 0.000 0.511 380 S N 0.422 116.273 115.700 0.251 0.000 2.595 380 S HA 0.547 5.017 4.470 -0.000 0.000 0.281 380 S C -1.149 173.540 174.600 0.148 0.000 1.117 380 S CA -0.712 57.612 58.200 0.207 0.000 0.873 380 S CB 1.248 64.540 63.200 0.154 0.000 1.108 380 S HN 0.275 nan 8.310 nan 0.000 0.477 381 I N 2.155 122.799 120.570 0.125 0.000 2.377 381 I HA 0.448 4.618 4.170 -0.000 0.000 0.293 381 I C -0.730 175.410 176.117 0.037 0.000 0.987 381 I CA -0.563 60.783 61.300 0.077 0.000 1.185 381 I CB 1.102 39.116 38.000 0.023 0.000 1.341 381 I HN 0.585 nan 8.210 nan 0.000 0.455 382 I N 6.717 127.306 120.570 0.032 0.000 2.354 382 I HA 0.315 4.485 4.170 -0.000 0.000 0.286 382 I C -0.295 175.833 176.117 0.019 0.000 1.007 382 I CA -0.713 60.566 61.300 -0.036 0.000 1.167 382 I CB 1.711 39.686 38.000 -0.042 0.000 1.320 382 I HN 0.120 nan 8.210 nan 0.000 0.458 383 V N 7.236 127.129 119.914 -0.035 0.000 2.439 383 V HA 0.329 4.449 4.120 -0.000 0.000 0.282 383 V C 0.211 176.307 176.094 0.003 0.000 1.039 383 V CA -0.681 61.622 62.300 0.005 0.000 0.913 383 V CB 1.853 33.686 31.823 0.016 0.000 0.983 383 V HN 0.366 nan 8.190 nan 0.000 0.460 384 V N 3.872 123.820 119.914 0.056 0.000 2.439 384 V HA 0.410 4.530 4.120 -0.000 0.000 0.282 384 V C -0.449 175.701 176.094 0.094 0.000 1.039 384 V CA -0.485 61.860 62.300 0.074 0.000 0.913 384 V CB 1.705 33.629 31.823 0.169 0.000 0.983 384 V HN 0.867 nan 8.190 nan 0.000 0.460 385 D N 3.625 124.081 120.400 0.094 0.000 2.278 385 D HA 0.575 5.215 4.640 -0.000 0.000 0.245 385 D C -0.365 176.016 176.300 0.134 0.000 1.052 385 D CA -0.292 53.772 54.000 0.107 0.000 0.834 385 D CB 1.541 42.394 40.800 0.089 0.000 1.194 385 D HN 0.445 nan 8.370 nan 0.000 0.481 386 K N 1.529 122.012 120.400 0.138 0.000 2.565 386 K HA 0.551 4.871 4.320 -0.000 0.000 0.251 386 K C -0.235 176.432 176.600 0.113 0.000 0.956 386 K CA -0.681 55.693 56.287 0.145 0.000 0.809 386 K CB 1.732 34.355 32.500 0.206 0.000 1.267 386 K HN 0.557 nan 8.250 nan 0.000 0.438 387 G N 1.928 110.780 108.800 0.087 0.000 2.588 387 G HA2 0.139 4.099 3.960 -0.000 0.000 0.281 387 G HA3 0.139 4.099 3.960 -0.000 0.000 0.281 387 G C 0.730 175.669 174.900 0.064 0.000 1.236 387 G CA -0.567 44.574 45.100 0.068 0.000 0.969 387 G HN 0.586 nan 8.290 nan 0.000 0.504 388 L N -0.355 120.899 121.223 0.051 0.000 2.012 388 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 388 L C 1.727 178.618 176.870 0.036 0.000 1.073 388 L CA 1.976 56.842 54.840 0.044 0.000 0.748 388 L CB -0.120 41.959 42.059 0.034 0.000 0.891 388 L HN 0.512 nan 8.230 nan 0.000 0.431 389 N N -1.466 117.251 118.700 0.028 0.000 2.159 389 N HA 0.132 4.872 4.740 -0.000 0.000 0.217 389 N C 0.104 175.624 175.510 0.016 0.000 1.223 389 N CA 0.637 53.698 53.050 0.018 0.000 0.896 389 N CB 0.388 38.882 38.487 0.011 0.000 1.064 389 N HN 0.414 nan 8.380 nan 0.000 0.518 390 S N 0.274 115.990 115.700 0.026 0.000 2.672 390 S HA 0.508 4.978 4.470 -0.000 0.000 0.276 390 S C 0.451 175.069 174.600 0.028 0.000 1.207 390 S CA -0.696 57.518 58.200 0.023 0.000 1.002 390 S CB 1.175 64.392 63.200 0.030 0.000 0.998 390 S HN 0.040 nan 8.310 nan 0.000 0.542 391 I N 3.128 123.708 120.570 0.016 0.000 2.683 391 I HA 0.171 4.341 4.170 -0.000 0.000 0.286 391 I C -1.564 174.595 176.117 0.071 0.000 1.175 391 I CA -1.502 59.805 61.300 0.012 0.000 1.429 391 I CB 0.099 38.079 38.000 -0.033 0.000 1.371 391 I HN 0.556 nan 8.210 nan 0.000 0.569 392 P HA 0.233 nan 4.420 nan 0.000 0.274 392 P C -1.183 176.317 177.300 0.333 0.000 1.256 392 P CA -0.462 62.775 63.100 0.227 0.000 0.795 392 P CB 0.908 32.782 31.700 0.290 0.000 1.038 393 K N 0.541 121.088 120.400 0.246 0.000 2.385 393 K HA 0.646 4.966 4.320 -0.000 0.000 0.248 393 K C -0.648 175.918 176.600 -0.057 0.000 0.955 393 K CA -0.868 55.536 56.287 0.195 0.000 0.816 393 K CB 1.921 34.482 32.500 0.102 0.000 1.250 393 K HN 0.377 nan 8.250 nan 0.000 0.434 394 L N 1.722 122.772 121.223 -0.289 0.000 2.362 394 L HA 0.542 4.882 4.340 -0.000 0.000 0.271 394 L C -0.664 175.972 176.870 -0.390 0.000 1.002 394 L CA -0.880 53.684 54.840 -0.459 0.000 0.818 394 L CB 2.048 43.580 42.059 -0.878 0.000 1.298 394 L HN 0.563 nan 8.230 nan 0.000 0.420 395 K N 1.929 122.119 120.400 -0.349 0.000 2.427 395 K HA 0.699 5.019 4.320 -0.000 0.000 0.252 395 K C -1.794 174.489 176.600 -0.528 0.000 0.931 395 K CA -0.545 55.482 56.287 -0.433 0.000 0.793 395 K CB 2.504 34.854 32.500 -0.250 0.000 1.211 395 K HN 0.339 nan 8.250 nan 0.000 0.426 396 V N 4.015 123.482 119.914 -0.744 0.000 2.448 396 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 396 V C -1.328 174.395 176.094 -0.619 0.000 1.025 396 V CA -0.643 61.299 62.300 -0.596 0.000 0.859 396 V CB 1.096 32.511 31.823 -0.679 0.000 0.988 396 V HN 0.722 nan 8.190 nan 0.000 0.431 397 W N 1.963 123.198 121.300 -0.108 0.000 2.587 397 W HA 0.603 5.263 4.660 -0.000 0.000 0.324 397 W C 0.261 176.828 176.519 0.079 0.000 1.040 397 W CA -0.529 56.810 57.345 -0.010 0.000 1.222 397 W CB 1.796 31.202 29.460 -0.090 0.000 1.381 397 W HN 0.378 nan 8.180 nan 0.000 0.483 398 T N 4.409 119.182 114.554 0.366 0.000 2.817 398 T HA 0.423 4.773 4.350 -0.000 0.000 0.293 398 T C 0.078 174.921 174.700 0.239 0.000 0.964 398 T CA -0.406 61.882 62.100 0.314 0.000 1.085 398 T CB 0.478 69.503 68.868 0.262 0.000 0.921 398 T HN 0.127 nan 8.240 nan 0.000 0.502 399 I N 2.513 123.202 120.570 0.198 0.000 2.395 399 I HA 0.188 4.358 4.170 -0.000 0.000 0.289 399 I C 1.022 177.209 176.117 0.117 0.000 1.023 399 I CA -0.435 60.951 61.300 0.143 0.000 1.350 399 I CB 1.289 39.367 38.000 0.129 0.000 1.409 399 I HN 0.551 nan 8.210 nan 0.000 0.507 400 S N 5.812 121.566 115.700 0.090 0.000 2.549 400 S HA 0.125 4.595 4.470 -0.000 0.000 0.283 400 S C 1.178 175.813 174.600 0.059 0.000 1.320 400 S CA -0.395 57.846 58.200 0.069 0.000 1.058 400 S CB 0.595 63.828 63.200 0.056 0.000 0.882 400 S HN 0.616 nan 8.310 nan 0.000 0.498 401 M N 4.032 123.663 119.600 0.051 0.000 2.539 401 M HA -0.042 4.438 4.480 -0.000 0.000 0.261 401 M C 2.017 178.333 176.300 0.027 0.000 1.069 401 M CA 1.055 56.382 55.300 0.045 0.000 1.081 401 M CB -0.215 32.417 32.600 0.052 0.000 1.412 401 M HN 0.654 nan 8.290 nan 0.000 0.482 402 R N -0.180 120.337 120.500 0.029 0.000 2.148 402 R HA -0.063 4.277 4.340 -0.000 0.000 0.223 402 R C 1.836 178.139 176.300 0.004 0.000 1.088 402 R CA 0.757 56.867 56.100 0.017 0.000 0.985 402 R CB -0.060 30.254 30.300 0.023 0.000 0.880 402 R HN 0.447 nan 8.270 nan 0.000 0.451 403 Q N -0.150 119.660 119.800 0.016 0.000 2.391 403 Q HA 0.108 4.448 4.340 -0.000 0.000 0.211 403 Q C -0.032 176.034 176.000 0.109 0.000 0.908 403 Q CA 0.432 56.250 55.803 0.025 0.000 0.920 403 Q CB 0.341 29.078 28.738 -0.002 0.000 1.056 403 Q HN 0.096 nan 8.270 nan 0.000 0.523 404 N N -0.735 118.011 118.700 0.077 0.000 2.229 404 N HA 0.217 4.957 4.740 -0.000 0.000 0.298 404 N C -1.302 174.182 175.510 -0.043 0.000 1.114 404 N CA -0.418 52.728 53.050 0.160 0.000 0.776 404 N CB 0.927 39.561 38.487 0.244 0.000 1.501 404 N HN -0.215 nan 8.380 nan 0.000 0.474 405 Y N 0.168 120.495 120.300 0.045 0.000 2.188 405 Y HA 0.135 4.685 4.550 -0.000 0.000 0.360 405 Y C 0.810 176.754 175.900 0.075 0.000 1.324 405 Y CA -0.115 57.949 58.100 -0.060 0.000 1.726 405 Y CB 0.231 38.495 38.460 -0.327 0.000 1.536 405 Y HN 0.400 nan 8.280 nan 0.000 0.628 406 W N 2.477 123.829 121.300 0.087 0.000 2.550 406 W HA -0.038 4.622 4.660 -0.000 0.000 0.339 406 W C 0.227 176.793 176.519 0.079 0.000 1.174 406 W CA 0.233 57.612 57.345 0.056 0.000 1.243 406 W CB -0.037 29.406 29.460 -0.029 0.000 1.172 406 W HN 0.634 nan 8.180 nan 0.000 0.566 407 G N 5.424 114.182 108.800 -0.070 0.000 2.254 407 G HA2 0.294 4.254 3.960 -0.000 0.000 0.253 407 G HA3 0.294 4.254 3.960 -0.000 0.000 0.253 407 G C -0.664 174.398 174.900 0.271 0.000 1.246 407 G CA -0.056 45.123 45.100 0.130 0.000 0.946 407 G HN 0.467 nan 8.290 nan 0.000 0.474 408 S N 1.014 116.809 115.700 0.158 0.000 2.685 408 S HA 0.361 4.831 4.470 -0.000 0.000 0.282 408 S C -0.325 173.935 174.600 -0.567 0.000 1.159 408 S CA -0.887 57.194 58.200 -0.198 0.000 0.833 408 S CB 1.660 64.835 63.200 -0.041 0.000 1.151 408 S HN 0.740 nan 8.310 nan 0.000 0.485 409 E N 0.028 119.792 120.200 -0.725 0.000 2.436 409 E HA 0.442 4.792 4.350 -0.000 0.000 0.262 409 E C 0.376 177.059 176.600 0.138 0.000 1.063 409 E CA 0.187 56.446 56.400 -0.234 0.000 0.944 409 E CB 0.384 30.150 29.700 0.111 0.000 0.950 409 E HN 0.741 nan 8.360 nan 0.000 0.444 410 G N 0.677 109.733 108.800 0.427 0.000 2.341 410 G HA2 0.431 4.391 3.960 -0.000 0.000 0.299 410 G HA3 0.431 4.391 3.960 -0.000 0.000 0.299 410 G C -1.554 173.706 174.900 0.601 0.000 1.274 410 G CA -0.684 44.700 45.100 0.473 0.000 0.853 410 G HN 0.600 nan 8.290 nan 0.000 0.493 411 R N -1.467 119.330 120.500 0.495 0.000 2.716 411 R HA 0.782 5.122 4.340 -0.000 0.000 0.271 411 R C -1.841 174.623 176.300 0.274 0.000 1.028 411 R CA -1.000 55.337 56.100 0.394 0.000 0.883 411 R CB 0.963 31.524 30.300 0.435 0.000 1.250 411 R HN 0.539 nan 8.270 nan 0.000 0.465 412 L N 1.778 123.121 121.223 0.201 0.000 2.342 412 L HA 0.634 4.974 4.340 -0.000 0.000 0.271 412 L C -0.886 176.053 176.870 0.115 0.000 1.008 412 L CA -1.148 53.768 54.840 0.127 0.000 0.818 412 L CB 2.027 44.125 42.059 0.065 0.000 1.296 412 L HN 0.456 nan 8.230 nan 0.000 0.427 413 L N 3.710 124.996 121.223 0.104 0.000 2.438 413 L HA 0.438 4.779 4.340 -0.000 0.000 0.270 413 L C -1.165 175.780 176.870 0.125 0.000 0.972 413 L CA -0.560 54.337 54.840 0.095 0.000 0.831 413 L CB 2.512 44.565 42.059 -0.009 0.000 1.273 413 L HN 0.344 nan 8.230 nan 0.000 0.405 414 L N 5.462 126.745 121.223 0.101 0.000 2.277 414 L HA 0.581 4.921 4.340 -0.000 0.000 0.284 414 L C -1.237 175.721 176.870 0.145 0.000 1.028 414 L CA 0.052 54.945 54.840 0.089 0.000 0.835 414 L CB 0.757 42.863 42.059 0.078 0.000 1.215 414 L HN 0.440 nan 8.230 nan 0.000 0.425 415 L N 6.296 127.637 121.223 0.196 0.000 2.376 415 L HA 0.753 5.093 4.340 -0.000 0.000 0.275 415 L C 0.945 177.933 176.870 0.196 0.000 0.987 415 L CA -0.221 54.743 54.840 0.207 0.000 0.828 415 L CB 1.377 43.569 42.059 0.222 0.000 1.249 415 L HN 0.861 nan 8.230 nan 0.000 0.409 416 G N 3.424 112.317 108.800 0.155 0.000 2.561 416 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.289 416 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.289 416 G C 0.394 175.356 174.900 0.103 0.000 1.169 416 G CA 0.747 45.923 45.100 0.127 0.000 0.980 416 G HN 0.716 nan 8.290 nan 0.000 0.550 417 N N 1.284 120.033 118.700 0.080 0.000 2.234 417 N HA 0.260 5.000 4.740 -0.000 0.000 0.227 417 N C -0.094 175.431 175.510 0.024 0.000 1.151 417 N CA 0.322 53.412 53.050 0.067 0.000 0.865 417 N CB 0.113 38.629 38.487 0.048 0.000 1.066 417 N HN 0.547 nan 8.380 nan 0.000 0.515 418 K N 0.231 120.620 120.400 -0.017 0.000 2.207 418 K HA 0.458 4.778 4.320 -0.000 0.000 0.255 418 K C -0.639 175.817 176.600 -0.239 0.000 0.941 418 K CA -0.672 55.500 56.287 -0.191 0.000 0.825 418 K CB 2.314 34.601 32.500 -0.355 0.000 1.119 418 K HN 0.009 nan 8.250 nan 0.000 0.430 419 I N 3.192 123.558 120.570 -0.341 0.000 2.355 419 I HA 0.249 4.419 4.170 -0.000 0.000 0.288 419 I C -0.862 175.048 176.117 -0.345 0.000 0.999 419 I CA -0.847 60.294 61.300 -0.266 0.000 1.163 419 I CB 0.580 38.392 38.000 -0.314 0.000 1.316 419 I HN 0.420 nan 8.210 nan 0.000 0.454 420 Y N 6.373 126.616 120.300 -0.096 0.000 2.334 420 Y HA 0.559 5.109 4.550 -0.000 0.000 0.328 420 Y C 0.078 175.952 175.900 -0.043 0.000 1.130 420 Y CA -0.543 57.512 58.100 -0.076 0.000 1.163 420 Y CB 1.641 40.050 38.460 -0.085 0.000 1.207 420 Y HN 0.436 nan 8.280 nan 0.000 0.471 421 I N 3.747 124.383 120.570 0.110 0.000 2.465 421 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 421 I C -1.843 174.432 176.117 0.263 0.000 1.014 421 I CA -0.965 60.408 61.300 0.122 0.000 1.093 421 I CB 1.271 39.261 38.000 -0.018 0.000 1.267 421 I HN 0.648 nan 8.210 nan 0.000 0.431 422 Y N 6.672 127.075 120.300 0.172 0.000 2.393 422 Y HA 0.733 5.283 4.550 -0.000 0.000 0.341 422 Y C -0.897 175.095 175.900 0.152 0.000 0.988 422 Y CA -0.417 57.774 58.100 0.152 0.000 1.078 422 Y CB 1.760 40.227 38.460 0.012 0.000 1.203 422 Y HN 0.654 nan 8.280 nan 0.000 0.453 423 T N 3.939 117.965 114.554 -0.880 0.000 2.909 423 T HA 0.424 4.774 4.350 -0.000 0.000 0.299 423 T C -0.772 173.249 174.700 -1.132 0.000 1.073 423 T CA -1.176 60.475 62.100 -0.749 0.000 0.999 423 T CB 1.615 70.385 68.868 -0.162 0.000 1.098 423 T HN 0.951 nan 8.240 nan 0.000 0.477 424 R N 1.461 121.537 120.500 -0.707 0.000 2.623 424 R HA 0.221 4.561 4.340 -0.000 0.000 0.271 424 R C -0.464 175.620 176.300 -0.360 0.000 1.043 424 R CA -0.084 55.768 56.100 -0.413 0.000 1.083 424 R CB 0.133 30.358 30.300 -0.126 0.000 0.974 424 R HN 0.655 nan 8.270 nan 0.000 0.436 425 S N 3.220 118.707 115.700 -0.354 0.000 3.869 425 S HA 0.040 4.510 4.470 -0.000 0.000 0.241 425 S C 0.572 174.967 174.600 -0.341 0.000 1.363 425 S CA -0.422 57.542 58.200 -0.394 0.000 0.894 425 S CB 0.913 63.834 63.200 -0.465 0.000 1.519 425 S HN 0.685 nan 8.310 nan 0.000 0.470 426 T N 1.130 115.500 114.554 -0.305 0.000 3.035 426 T HA 0.003 4.353 4.350 -0.000 0.000 0.268 426 T C 1.256 175.633 174.700 -0.537 0.000 1.109 426 T CA 0.793 62.670 62.100 -0.371 0.000 1.119 426 T CB 0.152 68.829 68.868 -0.319 0.000 0.900 426 T HN 0.462 nan 8.240 nan 0.000 0.503 427 S N -0.879 114.515 115.700 -0.509 0.000 3.565 427 S HA 0.314 4.784 4.470 -0.000 0.000 0.242 427 S C 0.780 175.185 174.600 -0.325 0.000 1.023 427 S CA -0.500 57.410 58.200 -0.483 0.000 1.300 427 S CB -0.080 62.843 63.200 -0.462 0.000 1.198 427 S HN 0.542 nan 8.310 nan 0.000 0.697 428 W N 1.770 122.991 121.300 -0.132 0.000 2.388 428 W HA 0.026 4.686 4.660 0.000 0.000 0.294 428 W C 0.969 177.496 176.519 0.015 0.000 1.212 428 W CA 0.810 58.157 57.345 0.005 0.000 1.271 428 W CB -1.303 28.205 29.460 0.080 0.000 1.126 428 W HN 0.634 nan 8.180 nan 0.000 0.535 429 H N 2.980 121.460 119.070 -0.984 0.000 3.224 429 H HA 0.105 4.661 4.556 -0.000 0.000 0.265 429 H C 1.212 176.125 175.328 -0.692 0.000 1.461 429 H CA 0.903 56.363 56.048 -0.979 0.000 1.509 429 H CB 0.590 29.287 29.762 -1.776 0.000 1.686 429 H HN 0.081 nan 8.280 nan 0.000 0.514 430 S N 3.198 118.517 115.700 -0.635 0.000 2.562 430 S HA 0.048 4.518 4.470 -0.000 0.000 0.221 430 S C 0.627 174.806 174.600 -0.702 0.000 0.975 430 S CA -0.211 57.651 58.200 -0.563 0.000 0.918 430 S CB 0.344 63.329 63.200 -0.358 0.000 0.772 430 S HN 0.459 nan 8.310 nan 0.000 0.531 431 K N 0.871 120.733 120.400 -0.898 0.000 2.126 431 K HA 0.346 4.666 4.320 -0.000 0.000 0.257 431 K C -0.318 175.903 176.600 -0.631 0.000 1.007 431 K CA -0.884 54.955 56.287 -0.746 0.000 0.928 431 K CB 0.429 32.536 32.500 -0.655 0.000 1.013 431 K HN 0.198 nan 8.250 nan 0.000 0.473 432 L N 2.296 123.229 121.223 -0.484 0.000 2.640 432 L HA -0.149 4.191 4.340 -0.000 0.000 0.280 432 L C -0.597 176.116 176.870 -0.262 0.000 1.229 432 L CA 1.305 55.929 54.840 -0.361 0.000 0.919 432 L CB -0.120 41.664 42.059 -0.459 0.000 1.168 432 L HN 0.455 nan 8.230 nan 0.000 0.496 433 Q N 5.625 125.258 119.800 -0.277 0.000 2.466 433 Q HA 0.520 4.860 4.340 -0.000 0.000 0.242 433 Q C -1.281 174.797 176.000 0.131 0.000 1.046 433 Q CA -0.419 55.178 55.803 -0.343 0.000 0.841 433 Q CB 1.341 29.618 28.738 -0.768 0.000 1.193 433 Q HN 0.580 nan 8.270 nan 0.000 0.508 434 L N 1.514 122.999 121.223 0.437 0.000 2.438 434 L HA 0.875 5.215 4.340 -0.000 0.000 0.270 434 L C -0.712 176.503 176.870 0.575 0.000 0.972 434 L CA -0.066 55.069 54.840 0.493 0.000 0.831 434 L CB 1.951 44.165 42.059 0.259 0.000 1.273 434 L HN 0.496 nan 8.230 nan 0.000 0.405 435 G N 4.286 113.290 108.800 0.341 0.000 2.682 435 G HA2 0.541 4.501 3.960 -0.000 0.000 0.303 435 G HA3 0.541 4.501 3.960 -0.000 0.000 0.303 435 G C -1.813 173.029 174.900 -0.096 0.000 1.341 435 G CA -0.666 44.474 45.100 0.067 0.000 0.784 435 G HN 0.362 nan 8.290 nan 0.000 0.497 436 I N 1.014 121.442 120.570 -0.236 0.000 2.378 436 I HA 0.491 4.661 4.170 -0.000 0.000 0.291 436 I C -0.409 175.511 176.117 -0.327 0.000 0.992 436 I CA -0.706 60.403 61.300 -0.318 0.000 1.154 436 I CB 1.200 39.025 38.000 -0.290 0.000 1.315 436 I HN 0.440 nan 8.210 nan 0.000 0.448 437 I N 5.441 125.829 120.570 -0.304 0.000 2.404 437 I HA 0.324 4.494 4.170 -0.000 0.000 0.293 437 I C -0.664 175.321 176.117 -0.219 0.000 0.992 437 I CA -0.350 60.791 61.300 -0.264 0.000 1.149 437 I CB 1.654 39.519 38.000 -0.226 0.000 1.315 437 I HN 0.452 nan 8.210 nan 0.000 0.446 438 D N 8.178 128.472 120.400 -0.176 0.000 2.412 438 D HA 0.258 4.898 4.640 -0.000 0.000 0.224 438 D C 0.263 176.502 176.300 -0.101 0.000 1.093 438 D CA -0.335 53.584 54.000 -0.134 0.000 0.850 438 D CB 0.917 41.649 40.800 -0.114 0.000 1.046 438 D HN 0.539 nan 8.370 nan 0.000 0.507 439 I N 0.869 121.386 120.570 -0.089 0.000 3.805 439 I HA 0.205 4.375 4.170 -0.000 0.000 0.337 439 I C 0.985 177.037 176.117 -0.108 0.000 1.539 439 I CA -0.540 60.746 61.300 -0.023 0.000 1.176 439 I CB 0.372 38.421 38.000 0.082 0.000 1.248 439 I HN -0.027 nan 8.210 nan 0.000 0.437 440 T N 0.769 115.250 114.554 -0.122 0.000 2.720 440 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 440 T C 0.666 175.181 174.700 -0.307 0.000 1.037 440 T CA 1.770 63.766 62.100 -0.173 0.000 1.144 440 T CB -0.259 68.536 68.868 -0.120 0.000 0.864 440 T HN 0.564 nan 8.240 nan 0.000 0.444 441 D N -0.534 119.710 120.400 -0.260 0.000 2.453 441 D HA 0.193 4.833 4.640 -0.000 0.000 0.238 441 D C 0.262 176.401 176.300 -0.267 0.000 1.088 441 D CA -0.665 53.160 54.000 -0.292 0.000 0.854 441 D CB 0.331 41.032 40.800 -0.165 0.000 1.076 441 D HN 0.330 nan 8.370 nan 0.000 0.533 442 Y N 1.627 121.644 120.300 -0.472 0.000 2.403 442 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 442 Y C 2.295 177.922 175.900 -0.454 0.000 1.143 442 Y CA 0.781 58.453 58.100 -0.713 0.000 1.257 442 Y CB 0.285 37.693 38.460 -1.754 0.000 0.984 442 Y HN 0.409 nan 8.280 nan 0.000 0.550 443 S N -1.533 114.074 115.700 -0.155 0.000 2.575 443 S HA 0.003 4.473 4.470 -0.000 0.000 0.215 443 S C 0.168 174.810 174.600 0.070 0.000 0.966 443 S CA 0.239 58.493 58.200 0.090 0.000 0.911 443 S CB 0.218 63.496 63.200 0.130 0.000 0.780 443 S HN 0.301 nan 8.310 nan 0.000 0.514 444 D N 0.876 121.282 120.400 0.010 0.000 2.968 444 D HA 0.325 4.965 4.640 -0.000 0.000 0.301 444 D C -0.713 175.582 176.300 -0.008 0.000 1.226 444 D CA -0.432 53.574 54.000 0.009 0.000 0.746 444 D CB -0.173 40.620 40.800 -0.012 0.000 1.278 444 D HN 0.309 nan 8.370 nan 0.000 0.544 445 I N 1.555 122.136 120.570 0.019 0.000 2.588 445 I HA 0.215 4.385 4.170 -0.000 0.000 0.283 445 I C 0.903 177.002 176.117 -0.029 0.000 1.119 445 I CA -0.013 61.287 61.300 0.000 0.000 1.419 445 I CB 0.521 38.544 38.000 0.038 0.000 1.394 445 I HN -0.048 nan 8.210 nan 0.000 0.562 446 R N 6.775 127.234 120.500 -0.070 0.000 2.740 446 R HA 0.733 5.073 4.340 -0.000 0.000 0.282 446 R C -1.045 175.149 176.300 -0.176 0.000 0.969 446 R CA -0.950 55.090 56.100 -0.100 0.000 0.918 446 R CB 2.449 32.695 30.300 -0.090 0.000 1.175 446 R HN 0.536 nan 8.270 nan 0.000 0.464 447 I N 1.393 121.817 120.570 -0.244 0.000 2.569 447 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 447 I C -0.377 175.475 176.117 -0.442 0.000 1.088 447 I CA -0.668 60.363 61.300 -0.449 0.000 1.047 447 I CB 2.620 40.168 38.000 -0.754 0.000 1.237 447 I HN 0.260 nan 8.210 nan 0.000 0.421 448 K N 6.361 126.527 120.400 -0.390 0.000 2.389 448 K HA 0.341 4.661 4.320 -0.000 0.000 0.261 448 K C -1.394 175.092 176.600 -0.191 0.000 1.014 448 K CA -0.478 55.682 56.287 -0.211 0.000 0.920 448 K CB 0.759 33.193 32.500 -0.110 0.000 1.149 448 K HN 0.417 nan 8.250 nan 0.000 0.444 449 W N 2.369 123.711 121.300 0.069 0.000 2.218 449 W HA 0.125 4.785 4.660 0.000 0.000 0.326 449 W C 0.393 177.001 176.519 0.148 0.000 1.276 449 W CA -0.405 57.011 57.345 0.118 0.000 1.210 449 W CB 1.130 30.684 29.460 0.157 0.000 1.143 449 W HN 0.343 nan 8.180 nan 0.000 0.563 450 T N 2.762 117.587 114.554 0.452 0.000 2.806 450 T HA 0.029 4.379 4.350 -0.000 0.000 0.290 450 T C -0.850 174.059 174.700 0.347 0.000 0.966 450 T CA -0.474 61.825 62.100 0.331 0.000 1.060 450 T CB 0.261 69.292 68.868 0.271 0.000 0.927 450 T HN 0.340 nan 8.240 nan 0.000 0.485 451 W N 5.207 126.557 121.300 0.083 0.000 2.308 451 W HA 0.147 4.807 4.660 0.000 0.000 0.324 451 W C -0.177 176.264 176.519 -0.130 0.000 1.387 451 W CA 0.035 57.405 57.345 0.042 0.000 1.250 451 W CB 0.113 29.588 29.460 0.025 0.000 1.257 451 W HN 0.589 nan 8.180 nan 0.000 0.554 452 H N 5.373 124.040 119.070 -0.673 0.000 2.609 452 H HA 0.109 4.665 4.556 -0.000 0.000 0.344 452 H C -0.011 174.682 175.328 -1.058 0.000 1.040 452 H CA -0.397 55.218 56.048 -0.723 0.000 1.216 452 H CB 1.910 31.455 29.762 -0.362 0.000 1.529 452 H HN 0.519 nan 8.280 nan 0.000 0.519 453 N N 1.893 120.006 118.700 -0.978 0.000 2.294 453 N HA -0.059 4.681 4.740 -0.000 0.000 0.186 453 N C 1.343 176.667 175.510 -0.309 0.000 1.107 453 N CA 0.527 53.149 53.050 -0.714 0.000 0.884 453 N CB 0.773 38.840 38.487 -0.699 0.000 1.030 453 N HN 0.389 nan 8.380 nan 0.000 0.482 454 V N -2.255 117.537 119.914 -0.203 0.000 3.570 454 V HA 0.423 4.543 4.120 -0.000 0.000 0.257 454 V C 0.587 176.655 176.094 -0.044 0.000 1.272 454 V CA -0.076 62.191 62.300 -0.055 0.000 1.079 454 V CB -0.139 31.701 31.823 0.027 0.000 0.829 454 V HN -0.083 nan 8.190 nan 0.000 0.454 455 L N 1.684 122.811 121.223 -0.159 0.000 2.305 455 L HA 0.635 4.975 4.340 -0.000 0.000 0.281 455 L C 0.359 176.834 176.870 -0.658 0.000 1.085 455 L CA 0.601 55.279 54.840 -0.270 0.000 0.813 455 L CB 1.302 43.208 42.059 -0.256 0.000 1.157 455 L HN 0.401 nan 8.230 nan 0.000 0.436 456 S N 2.371 117.296 115.700 -1.292 0.000 3.629 456 S HA 0.742 5.212 4.470 -0.000 0.000 0.319 456 S C -1.484 172.333 174.600 -1.305 0.000 1.149 456 S CA -0.606 56.701 58.200 -1.487 0.000 1.099 456 S CB 1.494 63.524 63.200 -1.951 0.000 1.433 456 S HN 0.726 nan 8.310 nan 0.000 0.736 457 R N 0.733 120.678 120.500 -0.926 0.000 2.712 457 R HA 0.484 4.824 4.340 -0.000 0.000 0.272 457 R C -3.543 172.828 176.300 0.119 0.000 1.032 457 R CA -1.708 54.282 56.100 -0.182 0.000 0.874 457 R CB 0.253 30.438 30.300 -0.192 0.000 1.256 457 R HN 0.471 nan 8.270 nan 0.000 0.468 458 P HA 0.248 nan 4.420 nan 0.000 0.275 458 P C -0.378 176.934 177.300 0.019 0.000 1.227 458 P CA 0.216 63.403 63.100 0.146 0.000 0.781 458 P CB 1.405 33.160 31.700 0.091 0.000 0.906 459 G N 2.761 111.563 108.800 0.002 0.000 3.392 459 G HA2 0.434 4.394 3.960 -0.000 0.000 0.185 459 G HA3 0.434 4.394 3.960 -0.000 0.000 0.185 459 G C -0.325 174.532 174.900 -0.073 0.000 1.206 459 G CA -0.263 44.796 45.100 -0.070 0.000 0.776 459 G HN 0.676 nan 8.290 nan 0.000 0.697 460 N N -1.425 117.213 118.700 -0.103 0.000 3.343 460 N HA 0.226 4.966 4.740 -0.000 0.000 0.330 460 N C 0.480 175.928 175.510 -0.104 0.000 1.560 460 N CA -0.713 52.277 53.050 -0.100 0.000 0.752 460 N CB 0.010 38.423 38.487 -0.125 0.000 1.863 460 N HN 0.173 nan 8.380 nan 0.000 0.636 461 N N -0.053 118.587 118.700 -0.101 0.000 2.120 461 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 461 N C 0.716 176.151 175.510 -0.125 0.000 1.024 461 N CA 1.435 54.431 53.050 -0.092 0.000 0.852 461 N CB -0.161 38.280 38.487 -0.078 0.000 1.003 461 N HN 0.580 nan 8.380 nan 0.000 0.424 462 E N -0.382 119.714 120.200 -0.174 0.000 2.112 462 E HA 0.058 4.408 4.350 -0.000 0.000 0.190 462 E C 0.237 176.530 176.600 -0.511 0.000 0.979 462 E CA 0.582 56.833 56.400 -0.249 0.000 0.814 462 E CB 0.168 29.740 29.700 -0.213 0.000 0.762 462 E HN 0.254 nan 8.360 nan 0.000 0.460 463 c N 2.245 120.582 118.600 -0.439 0.000 3.445 463 c HA 0.373 4.943 4.570 -0.000 0.000 0.213 463 c C -2.340 171.627 174.090 -0.206 0.000 1.319 463 c CA -1.637 54.358 56.329 -0.557 0.000 1.402 463 c CB -0.052 42.219 42.510 -0.397 0.000 1.819 463 c HN 0.240 nan 8.230 nan 0.000 0.491 464 P HA 0.020 nan 4.420 nan 0.000 0.289 464 P C 0.266 177.618 177.300 0.088 0.000 1.299 464 P CA -0.295 62.813 63.100 0.014 0.000 0.766 464 P CB 0.615 32.342 31.700 0.046 0.000 1.226 465 W N 0.462 121.719 121.300 -0.070 0.000 2.435 465 W HA 0.065 4.725 4.660 -0.000 0.000 0.337 465 W C 0.852 177.337 176.519 -0.057 0.000 1.300 465 W CA 2.493 59.791 57.345 -0.078 0.000 1.298 465 W CB -0.975 28.439 29.460 -0.077 0.000 1.217 465 W HN 0.882 nan 8.180 nan 0.000 0.565 466 G N 3.134 111.753 108.800 -0.301 0.000 2.199 466 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.254 466 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.254 466 G C 0.245 175.104 174.900 -0.068 0.000 0.982 466 G CA 0.478 45.483 45.100 -0.160 0.000 0.632 466 G HN 0.978 nan 8.290 nan 0.000 0.529 467 H N 1.237 120.240 119.070 -0.111 0.000 2.897 467 H HA 0.465 5.021 4.556 -0.000 0.000 0.347 467 H C 1.435 176.725 175.328 -0.063 0.000 1.068 467 H CA 1.523 57.538 56.048 -0.055 0.000 1.426 467 H CB 0.867 30.606 29.762 -0.038 0.000 1.410 467 H HN 0.435 nan 8.280 nan 0.000 0.597 468 S N 2.248 117.695 115.700 -0.423 0.000 3.009 468 S HA 0.223 4.693 4.470 -0.000 0.000 0.254 468 S C -0.533 174.068 174.600 0.002 0.000 1.004 468 S CA -0.593 57.541 58.200 -0.110 0.000 1.119 468 S CB -0.738 62.432 63.200 -0.050 0.000 1.075 468 S HN 0.416 nan 8.310 nan 0.000 0.618 469 c N 3.080 121.469 118.600 -0.351 0.000 2.411 469 c HA 0.667 5.237 4.570 -0.000 0.000 0.330 469 c C -2.548 171.468 174.090 -0.123 0.000 1.224 469 c CA -1.600 54.616 56.329 -0.189 0.000 1.770 469 c CB 1.120 43.499 42.510 -0.218 0.000 2.297 469 c HN 0.306 nan 8.230 nan 0.000 0.507 470 P HA 0.069 nan 4.420 nan 0.000 0.263 470 P C -0.562 176.510 177.300 -0.379 0.000 1.175 470 P CA 1.083 63.508 63.100 -1.124 0.000 0.761 470 P CB 0.369 31.490 31.700 -0.965 0.000 0.794 471 D N 1.592 121.849 120.400 -0.238 0.000 2.728 471 D HA 0.125 4.765 4.640 -0.000 0.000 0.249 471 D C 0.432 176.751 176.300 0.031 0.000 1.225 471 D CA -0.546 53.432 54.000 -0.037 0.000 0.748 471 D CB 0.925 41.749 40.800 0.040 0.000 1.326 471 D HN 0.348 nan 8.370 nan 0.000 0.426 472 G N 0.649 109.437 108.800 -0.020 0.000 3.026 472 G HA2 0.121 4.081 3.960 -0.000 0.000 0.208 472 G HA3 0.121 4.081 3.960 -0.000 0.000 0.208 472 G C 1.165 175.986 174.900 -0.131 0.000 1.169 472 G CA 0.501 45.585 45.100 -0.027 0.000 0.788 472 G HN 0.729 nan 8.290 nan 0.000 0.533 473 c N -0.160 118.347 118.600 -0.155 0.000 2.608 473 c HA 0.417 4.987 4.570 -0.000 0.000 0.407 473 c C 0.498 174.328 174.090 -0.434 0.000 1.322 473 c CA -1.295 54.880 56.329 -0.257 0.000 1.778 473 c CB -0.545 41.825 42.510 -0.234 0.000 2.654 473 c HN 0.282 nan 8.230 nan 0.000 0.622 474 I N 3.588 123.897 120.570 -0.434 0.000 2.466 474 I HA 0.476 4.646 4.170 -0.000 0.000 0.279 474 I C 0.407 176.322 176.117 -0.337 0.000 1.033 474 I CA 0.413 61.379 61.300 -0.557 0.000 1.123 474 I CB 1.310 39.025 38.000 -0.475 0.000 1.237 474 I HN 1.066 nan 8.210 nan 0.000 0.460 475 T N 3.175 117.531 114.554 -0.330 0.000 2.631 475 T HA 0.768 5.118 4.350 -0.000 0.000 0.261 475 T C -0.106 174.476 174.700 -0.198 0.000 1.109 475 T CA 0.479 62.452 62.100 -0.211 0.000 1.180 475 T CB 0.846 69.595 68.868 -0.199 0.000 1.756 475 T HN 1.021 nan 8.240 nan 0.000 0.443 476 G N -0.195 108.507 108.800 -0.164 0.000 2.782 476 G HA2 0.202 4.162 3.960 -0.000 0.000 0.228 476 G HA3 0.202 4.162 3.960 -0.000 0.000 0.228 476 G C -0.597 174.233 174.900 -0.117 0.000 1.372 476 G CA 0.013 45.020 45.100 -0.155 0.000 0.862 476 G HN 1.702 nan 8.290 nan 0.000 0.547 477 V N -0.825 119.025 119.914 -0.108 0.000 3.167 477 V HA 0.612 4.732 4.120 -0.000 0.000 0.293 477 V C -0.837 175.236 176.094 -0.035 0.000 1.379 477 V CA -0.525 61.715 62.300 -0.099 0.000 1.019 477 V CB 1.878 33.653 31.823 -0.079 0.000 1.115 477 V HN 1.773 nan 8.190 nan 0.000 0.442 478 Y N 4.658 124.852 120.300 -0.176 0.000 2.587 478 Y HA 0.535 5.085 4.550 0.000 0.000 0.344 478 Y C 0.618 176.558 175.900 0.066 0.000 1.061 478 Y CA 1.035 59.154 58.100 0.032 0.000 1.370 478 Y CB 0.790 39.298 38.460 0.080 0.000 1.163 478 Y HN 0.771 nan 8.280 nan 0.000 0.527 479 T N 2.966 117.441 114.554 -0.132 0.000 3.133 479 T HA 0.245 4.595 4.350 -0.000 0.000 0.368 479 T C -0.865 173.470 174.700 -0.609 0.000 1.190 479 T CA -1.077 60.925 62.100 -0.164 0.000 1.282 479 T CB -0.011 68.813 68.868 -0.074 0.000 1.042 479 T HN 0.640 nan 8.240 nan 0.000 0.536 480 D N 2.453 122.304 120.400 -0.915 0.000 2.371 480 D HA 0.547 5.187 4.640 -0.000 0.000 0.242 480 D C -0.025 175.832 176.300 -0.737 0.000 1.218 480 D CA -0.735 52.345 54.000 -1.533 0.000 0.945 480 D CB 0.605 40.724 40.800 -1.136 0.000 1.137 480 D HN 0.772 nan 8.370 nan 0.000 0.464 481 A N -0.030 122.402 122.820 -0.647 0.000 2.393 481 A HA 0.495 4.815 4.320 -0.000 0.000 0.306 481 A C -1.820 175.670 177.584 -0.157 0.000 1.050 481 A CA -0.885 50.978 52.037 -0.290 0.000 0.724 481 A CB 0.906 19.739 19.000 -0.278 0.000 1.248 481 A HN 0.587 nan 8.150 nan 0.000 0.424 482 Y N 4.180 124.370 120.300 -0.184 0.000 2.328 482 Y HA 0.529 5.079 4.550 -0.000 0.000 0.337 482 Y C -2.186 173.600 175.900 -0.189 0.000 1.008 482 Y CA -2.099 55.902 58.100 -0.166 0.000 1.129 482 Y CB 1.843 40.226 38.460 -0.128 0.000 1.185 482 Y HN 0.492 nan 8.280 nan 0.000 0.476 483 P HA 0.072 nan 4.420 nan 0.000 0.276 483 P C -0.173 177.061 177.300 -0.109 0.000 1.235 483 P CA 0.256 63.154 63.100 -0.337 0.000 0.772 483 P CB 1.595 32.833 31.700 -0.771 0.000 0.871 484 L N 1.490 122.677 121.223 -0.060 0.000 2.470 484 L HA 0.115 4.455 4.340 -0.000 0.000 0.219 484 L C 1.184 178.048 176.870 -0.009 0.000 1.071 484 L CA 0.410 55.282 54.840 0.053 0.000 0.850 484 L CB -0.330 41.770 42.059 0.067 0.000 1.040 484 L HN 0.460 nan 8.230 nan 0.000 0.475 485 N N -1.135 117.397 118.700 -0.279 0.000 2.457 485 N HA 0.304 5.044 4.740 -0.000 0.000 0.290 485 N C -2.413 173.095 175.510 -0.003 0.000 1.232 485 N CA -2.233 50.647 53.050 -0.283 0.000 0.852 485 N CB 0.558 38.535 38.487 -0.851 0.000 1.313 485 N HN -0.353 nan 8.380 nan 0.000 0.522 486 P HA -0.148 nan 4.420 nan 0.000 0.217 486 P C 0.956 178.394 177.300 0.229 0.000 1.151 486 P CA 2.435 65.652 63.100 0.196 0.000 0.849 486 P CB -0.050 31.749 31.700 0.165 0.000 0.787 487 T N -5.784 108.855 114.554 0.141 0.000 3.088 487 T HA 0.248 4.598 4.350 -0.000 0.000 0.259 487 T C 1.555 176.379 174.700 0.207 0.000 1.122 487 T CA 0.526 62.717 62.100 0.151 0.000 1.095 487 T CB -0.941 67.981 68.868 0.090 0.000 0.930 487 T HN 0.245 nan 8.240 nan 0.000 0.508 488 G N 1.558 110.444 108.800 0.143 0.000 2.160 488 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.251 488 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.251 488 G C 0.939 175.941 174.900 0.170 0.000 1.008 488 G CA 0.758 45.923 45.100 0.108 0.000 0.724 488 G HN 1.093 nan 8.290 nan 0.000 0.514 489 S N -1.162 114.562 115.700 0.041 0.000 2.562 489 S HA 0.466 4.936 4.470 -0.000 0.000 0.221 489 S C 0.843 175.421 174.600 -0.037 0.000 0.975 489 S CA 0.396 58.540 58.200 -0.092 0.000 0.918 489 S CB 0.327 63.457 63.200 -0.118 0.000 0.772 489 S HN 0.580 nan 8.310 nan 0.000 0.531 490 I N 2.440 122.966 120.570 -0.073 0.000 2.436 490 I HA 0.576 4.746 4.170 -0.000 0.000 0.289 490 I C -0.587 175.490 176.117 -0.066 0.000 1.010 490 I CA -1.102 60.129 61.300 -0.116 0.000 1.098 490 I CB 2.134 39.884 38.000 -0.417 0.000 1.266 490 I HN 0.131 nan 8.210 nan 0.000 0.434 491 V N 1.870 121.793 119.914 0.015 0.000 3.181 491 V HA 0.695 4.815 4.120 -0.000 0.000 0.308 491 V C -0.754 175.334 176.094 -0.009 0.000 1.214 491 V CA -0.640 61.660 62.300 -0.001 0.000 1.053 491 V CB 1.981 33.768 31.823 -0.061 0.000 1.069 491 V HN 0.671 nan 8.190 nan 0.000 0.441 492 S N 0.678 116.347 115.700 -0.053 0.000 2.482 492 S HA 0.867 5.337 4.470 -0.000 0.000 0.303 492 S C -0.620 173.869 174.600 -0.184 0.000 1.091 492 S CA 0.250 58.286 58.200 -0.273 0.000 1.057 492 S CB 1.282 64.356 63.200 -0.209 0.000 1.031 492 S HN 1.854 nan 8.310 nan 0.000 0.485 493 S N 2.612 118.163 115.700 -0.248 0.000 2.567 493 S HA 0.550 5.020 4.470 -0.000 0.000 0.270 493 S C -1.897 172.586 174.600 -0.196 0.000 1.152 493 S CA -0.529 57.571 58.200 -0.166 0.000 0.835 493 S CB 1.222 64.308 63.200 -0.190 0.000 1.115 493 S HN 0.613 nan 8.310 nan 0.000 0.459 494 V N 4.889 124.724 119.914 -0.132 0.000 2.311 494 V HA 0.458 4.578 4.120 -0.000 0.000 0.275 494 V C 0.269 176.311 176.094 -0.087 0.000 1.022 494 V CA -0.560 61.643 62.300 -0.161 0.000 0.830 494 V CB 0.229 31.972 31.823 -0.133 0.000 1.012 494 V HN 0.710 nan 8.190 nan 0.000 0.452 495 I N 2.822 123.356 120.570 -0.061 0.000 2.797 495 I HA 0.575 4.745 4.170 -0.000 0.000 0.310 495 I C -0.404 175.736 176.117 0.038 0.000 0.990 495 I CA -0.739 60.584 61.300 0.040 0.000 1.228 495 I CB 1.144 39.255 38.000 0.184 0.000 1.406 495 I HN 0.292 nan 8.210 nan 0.000 0.534 496 L N 3.005 124.291 121.223 0.104 0.000 2.272 496 L HA 0.268 4.608 4.340 -0.000 0.000 0.284 496 L C -0.531 176.365 176.870 0.043 0.000 1.045 496 L CA -0.292 54.574 54.840 0.044 0.000 0.842 496 L CB 0.628 42.718 42.059 0.051 0.000 1.224 496 L HN 0.637 nan 8.230 nan 0.000 0.430 497 D N 2.749 123.078 120.400 -0.119 0.000 2.508 497 D HA 0.195 4.835 4.640 -0.000 0.000 0.224 497 D C -0.305 175.764 176.300 -0.386 0.000 1.171 497 D CA 0.465 54.235 54.000 -0.384 0.000 1.006 497 D CB 0.478 41.083 40.800 -0.326 0.000 1.073 497 D HN 0.406 nan 8.370 nan 0.000 0.513 498 S N 2.003 117.490 115.700 -0.355 0.000 2.547 498 S HA 0.170 4.640 4.470 -0.000 0.000 0.270 498 S C 0.635 175.165 174.600 -0.117 0.000 1.150 498 S CA -0.644 57.424 58.200 -0.220 0.000 0.850 498 S CB 1.484 64.625 63.200 -0.098 0.000 1.118 498 S HN 0.152 nan 8.310 nan 0.000 0.461 499 Q N 1.938 121.681 119.800 -0.094 0.000 2.046 499 Q HA 0.026 4.366 4.340 -0.000 0.000 0.200 499 Q C 0.441 176.477 176.000 0.060 0.000 0.975 499 Q CA 1.513 57.328 55.803 0.020 0.000 0.836 499 Q CB -0.161 28.567 28.738 -0.017 0.000 0.896 499 Q HN 0.820 nan 8.270 nan 0.000 0.428 500 K N -0.894 119.512 120.400 0.010 0.000 2.972 500 K HA 0.274 4.594 4.320 -0.000 0.000 0.187 500 K C -0.534 176.059 176.600 -0.012 0.000 1.122 500 K CA -0.136 56.151 56.287 -0.000 0.000 1.080 500 K CB 0.679 33.167 32.500 -0.020 0.000 0.720 500 K HN -0.011 nan 8.250 nan 0.000 0.429 501 S N 0.339 116.034 115.700 -0.009 0.000 2.549 501 S HA 0.456 4.926 4.470 -0.000 0.000 0.280 501 S C -0.508 174.089 174.600 -0.005 0.000 1.109 501 S CA -1.137 57.055 58.200 -0.012 0.000 0.905 501 S CB 1.714 64.903 63.200 -0.018 0.000 1.081 501 S HN 0.271 nan 8.310 nan 0.000 0.477 502 R N 1.535 122.034 120.500 -0.002 0.000 3.268 502 R HA 0.442 4.782 4.340 -0.000 0.000 0.217 502 R C -0.043 176.258 176.300 0.002 0.000 1.568 502 R CA -0.208 55.895 56.100 0.004 0.000 1.322 502 R CB -0.456 29.847 30.300 0.005 0.000 1.280 502 R HN 0.621 nan 8.270 nan 0.000 0.667 503 V N -2.344 117.564 119.914 -0.010 0.000 3.202 503 V HA 0.406 4.526 4.120 -0.000 0.000 0.306 503 V C 0.094 176.163 176.094 -0.041 0.000 1.283 503 V CA -1.275 61.013 62.300 -0.019 0.000 1.065 503 V CB 2.068 33.876 31.823 -0.025 0.000 1.079 503 V HN 0.835 nan 8.190 nan 0.000 0.448 504 N N 1.145 119.816 118.700 -0.049 0.000 2.681 504 N HA -0.083 4.657 4.740 -0.000 0.000 0.259 504 N C -2.398 173.058 175.510 -0.091 0.000 1.066 504 N CA 0.421 53.426 53.050 -0.076 0.000 0.717 504 N CB -0.135 38.294 38.487 -0.097 0.000 0.885 504 N HN 0.810 nan 8.380 nan 0.000 0.547 505 P HA 0.114 nan 4.420 nan 0.000 0.271 505 P C -0.513 176.685 177.300 -0.170 0.000 1.220 505 P CA 0.031 63.060 63.100 -0.118 0.000 0.768 505 P CB 1.345 32.966 31.700 -0.131 0.000 0.848 506 V N 5.647 125.464 119.914 -0.162 0.000 2.577 506 V HA 0.305 4.425 4.120 -0.000 0.000 0.303 506 V C 0.547 176.512 176.094 -0.216 0.000 1.042 506 V CA -0.747 61.447 62.300 -0.176 0.000 0.872 506 V CB 1.861 33.605 31.823 -0.132 0.000 0.998 506 V HN 0.410 nan 8.190 nan 0.000 0.423 507 I N 3.923 124.325 120.570 -0.279 0.000 2.396 507 I HA 0.360 4.530 4.170 -0.000 0.000 0.289 507 I C 0.439 176.400 176.117 -0.260 0.000 1.056 507 I CA 0.612 61.683 61.300 -0.381 0.000 1.365 507 I CB 1.281 38.998 38.000 -0.471 0.000 1.407 507 I HN 0.622 nan 8.210 nan 0.000 0.509 508 T N 5.725 120.097 114.554 -0.303 0.000 2.893 508 T HA 0.499 4.849 4.350 -0.000 0.000 0.293 508 T C -1.212 173.271 174.700 -0.362 0.000 1.027 508 T CA -0.402 61.576 62.100 -0.203 0.000 0.988 508 T CB 0.695 69.506 68.868 -0.094 0.000 1.043 508 T HN 0.251 nan 8.240 nan 0.000 0.461 509 Y N 2.421 122.729 120.300 0.014 0.000 2.356 509 Y HA 0.608 5.158 4.550 -0.000 0.000 0.334 509 Y C 0.585 176.509 175.900 0.041 0.000 0.958 509 Y CA -0.398 57.726 58.100 0.040 0.000 1.196 509 Y CB 1.773 40.271 38.460 0.064 0.000 1.137 509 Y HN 0.571 nan 8.280 nan 0.000 0.485 510 S N 1.950 117.720 115.700 0.116 0.000 2.569 510 S HA 0.711 5.181 4.470 -0.000 0.000 0.280 510 S C -0.255 174.402 174.600 0.094 0.000 1.111 510 S CA -0.493 57.764 58.200 0.094 0.000 0.887 510 S CB 1.155 64.384 63.200 0.049 0.000 1.095 510 S HN 0.688 nan 8.310 nan 0.000 0.476 511 T N 0.317 114.921 114.554 0.084 0.000 2.892 511 T HA 0.715 5.065 4.350 -0.000 0.000 0.280 511 T C 1.494 176.212 174.700 0.030 0.000 1.004 511 T CA -0.092 62.041 62.100 0.055 0.000 0.950 511 T CB 0.474 69.376 68.868 0.056 0.000 1.309 511 T HN 0.934 nan 8.240 nan 0.000 0.592 512 A N 0.193 122.964 122.820 -0.082 0.000 2.067 512 A HA 0.092 4.412 4.320 -0.000 0.000 0.219 512 A C 2.179 179.655 177.584 -0.181 0.000 1.158 512 A CA 1.833 53.717 52.037 -0.254 0.000 0.661 512 A CB -1.291 17.539 19.000 -0.284 0.000 0.801 512 A HN 1.087 nan 8.150 nan 0.000 0.452 513 T N -4.139 110.399 114.554 -0.026 0.000 3.004 513 T HA 0.360 4.710 4.350 -0.000 0.000 0.266 513 T C 0.076 174.800 174.700 0.040 0.000 0.986 513 T CA 0.247 62.359 62.100 0.020 0.000 0.902 513 T CB 0.169 69.105 68.868 0.114 0.000 1.118 513 T HN 0.422 nan 8.240 nan 0.000 0.522 514 E N 0.769 120.996 120.200 0.045 0.000 2.321 514 E HA 0.402 4.752 4.350 -0.000 0.000 0.281 514 E C -1.422 175.216 176.600 0.064 0.000 0.910 514 E CA -0.751 55.682 56.400 0.056 0.000 0.770 514 E CB 1.710 31.448 29.700 0.064 0.000 1.225 514 E HN 0.123 nan 8.360 nan 0.000 0.417 515 R N 3.258 123.795 120.500 0.061 0.000 2.248 515 R HA 0.172 4.512 4.340 -0.000 0.000 0.337 515 R C 0.797 177.138 176.300 0.068 0.000 1.106 515 R CA -0.134 56.004 56.100 0.064 0.000 0.959 515 R CB 0.784 31.116 30.300 0.052 0.000 1.075 515 R HN 0.339 nan 8.270 nan 0.000 0.480 516 V N 1.921 121.890 119.914 0.093 0.000 2.379 516 V HA -0.056 4.064 4.120 -0.000 0.000 0.243 516 V C 0.704 176.854 176.094 0.092 0.000 1.035 516 V CA 1.086 63.443 62.300 0.095 0.000 1.035 516 V CB -0.322 31.573 31.823 0.119 0.000 0.673 516 V HN 0.675 nan 8.190 nan 0.000 0.457 517 N N 0.600 119.378 118.700 0.130 0.000 2.478 517 N HA 0.285 5.025 4.740 -0.000 0.000 0.291 517 N C -1.283 174.322 175.510 0.158 0.000 1.090 517 N CA -0.330 52.793 53.050 0.120 0.000 0.911 517 N CB 1.864 40.416 38.487 0.108 0.000 1.546 517 N HN 0.696 nan 8.380 nan 0.000 0.500 518 E N 1.414 121.666 120.200 0.086 0.000 2.449 518 E HA 0.644 4.994 4.350 -0.000 0.000 0.278 518 E C -1.554 175.054 176.600 0.013 0.000 0.992 518 E CA -1.044 55.386 56.400 0.049 0.000 0.807 518 E CB 2.280 31.980 29.700 -0.001 0.000 1.350 518 E HN 0.202 nan 8.360 nan 0.000 0.462 519 L N 0.815 122.019 121.223 -0.031 0.000 2.476 519 L HA 0.660 5.000 4.340 -0.000 0.000 0.269 519 L C -1.385 175.424 176.870 -0.103 0.000 0.965 519 L CA -0.355 54.455 54.840 -0.049 0.000 0.845 519 L CB 1.818 43.859 42.059 -0.030 0.000 1.259 519 L HN 0.843 nan 8.230 nan 0.000 0.403 520 A N 5.165 127.930 122.820 -0.092 0.000 2.450 520 A HA 0.387 4.707 4.320 -0.000 0.000 0.255 520 A C 1.177 178.680 177.584 -0.135 0.000 1.096 520 A CA -0.113 51.854 52.037 -0.117 0.000 0.778 520 A CB -0.001 18.945 19.000 -0.090 0.000 1.031 520 A HN 0.898 nan 8.150 nan 0.000 0.494 521 I N 1.076 121.524 120.570 -0.203 0.000 2.394 521 I HA -0.152 4.018 4.170 -0.000 0.000 0.251 521 I C 1.438 177.497 176.117 -0.097 0.000 1.136 521 I CA 1.314 62.472 61.300 -0.237 0.000 1.425 521 I CB -0.077 37.639 38.000 -0.473 0.000 1.079 521 I HN 0.732 nan 8.210 nan 0.000 0.425 522 L N -1.020 120.157 121.223 -0.077 0.000 3.574 522 L HA 0.312 4.652 4.340 -0.000 0.000 0.216 522 L C -1.261 175.584 176.870 -0.042 0.000 1.375 522 L CA 0.031 54.851 54.840 -0.033 0.000 1.601 522 L CB -0.068 41.987 42.059 -0.006 0.000 1.881 522 L HN 0.340 nan 8.230 nan 0.000 0.683 523 N N -1.673 117.003 118.700 -0.039 0.000 3.449 523 N HA 0.184 4.924 4.740 -0.000 0.000 0.312 523 N C -0.261 175.222 175.510 -0.045 0.000 1.557 523 N CA -0.128 52.894 53.050 -0.047 0.000 0.864 523 N CB 0.225 38.690 38.487 -0.036 0.000 1.799 523 N HN 0.290 nan 8.380 nan 0.000 0.554 524 R N -1.277 119.194 120.500 -0.048 0.000 2.328 524 R HA -0.002 4.338 4.340 -0.000 0.000 0.207 524 R C 0.556 176.840 176.300 -0.027 0.000 1.056 524 R CA 1.688 57.761 56.100 -0.045 0.000 1.016 524 R CB -0.938 29.329 30.300 -0.055 0.000 0.872 524 R HN 0.728 nan 8.270 nan 0.000 0.471 525 T N -1.705 112.839 114.554 -0.017 0.000 3.113 525 T HA 0.063 4.413 4.350 -0.000 0.000 0.256 525 T C 0.541 175.246 174.700 0.008 0.000 1.131 525 T CA -0.205 61.893 62.100 -0.003 0.000 1.074 525 T CB 0.092 68.961 68.868 0.001 0.000 0.944 525 T HN 0.145 nan 8.240 nan 0.000 0.516 526 L N 2.540 123.766 121.223 0.005 0.000 2.260 526 L HA 0.539 4.879 4.340 -0.000 0.000 0.289 526 L C -0.352 176.527 176.870 0.016 0.000 1.057 526 L CA -0.283 54.569 54.840 0.021 0.000 0.811 526 L CB 1.050 43.120 42.059 0.018 0.000 1.184 526 L HN 0.036 nan 8.230 nan 0.000 0.429 527 S N 3.474 119.191 115.700 0.030 0.000 2.586 527 S HA 0.912 5.382 4.470 -0.000 0.000 0.274 527 S C -0.146 174.476 174.600 0.037 0.000 1.281 527 S CA -0.106 58.110 58.200 0.026 0.000 1.035 527 S CB 1.406 64.624 63.200 0.030 0.000 0.962 527 S HN 0.923 nan 8.310 nan 0.000 0.512 528 A N 1.262 124.104 122.820 0.036 0.000 2.588 528 A HA 0.911 5.231 4.320 -0.000 0.000 0.290 528 A C 0.095 177.716 177.584 0.062 0.000 1.136 528 A CA -0.243 51.827 52.037 0.055 0.000 0.681 528 A CB 0.931 19.959 19.000 0.047 0.000 1.282 528 A HN 0.880 nan 8.150 nan 0.000 0.421 529 G N -1.194 107.666 108.800 0.100 0.000 3.364 529 G HA2 0.502 4.462 3.960 -0.000 0.000 0.191 529 G HA3 0.502 4.462 3.960 -0.000 0.000 0.191 529 G C -0.761 174.225 174.900 0.142 0.000 1.352 529 G CA -0.423 44.737 45.100 0.101 0.000 0.758 529 G HN 0.587 nan 8.290 nan 0.000 0.730 530 Y N 1.536 121.909 120.300 0.121 0.000 2.702 530 Y HA 0.340 4.890 4.550 0.000 0.000 0.336 530 Y C 1.229 177.243 175.900 0.190 0.000 1.235 530 Y CA 1.084 59.292 58.100 0.179 0.000 1.492 530 Y CB 0.768 39.295 38.460 0.113 0.000 1.308 530 Y HN 0.443 nan 8.280 nan 0.000 0.589 531 T N -0.419 114.381 114.554 0.410 0.000 2.900 531 T HA 0.612 4.962 4.350 -0.000 0.000 0.295 531 T C -0.672 174.243 174.700 0.358 0.000 1.044 531 T CA -0.886 61.394 62.100 0.300 0.000 0.995 531 T CB 1.950 70.913 68.868 0.158 0.000 1.072 531 T HN 0.594 nan 8.240 nan 0.000 0.473 532 T N 1.090 115.825 114.554 0.302 0.000 2.933 532 T HA 0.659 5.009 4.350 -0.000 0.000 0.305 532 T C -1.265 173.567 174.700 0.220 0.000 1.092 532 T CA -0.339 61.938 62.100 0.296 0.000 1.008 532 T CB 1.807 70.873 68.868 0.330 0.000 1.102 532 T HN 0.852 nan 8.240 nan 0.000 0.469 533 T N 2.953 117.606 114.554 0.166 0.000 2.841 533 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 533 T C -1.120 173.636 174.700 0.094 0.000 0.991 533 T CA -0.572 61.596 62.100 0.114 0.000 0.966 533 T CB 1.526 70.478 68.868 0.140 0.000 0.962 533 T HN 0.525 nan 8.240 nan 0.000 0.438 534 S N 1.703 117.387 115.700 -0.026 0.000 2.594 534 S HA 0.610 5.080 4.470 -0.000 0.000 0.296 534 S C -0.590 173.773 174.600 -0.396 0.000 1.124 534 S CA -0.570 57.580 58.200 -0.082 0.000 1.011 534 S CB 0.318 63.583 63.200 0.108 0.000 1.016 534 S HN 0.866 nan 8.310 nan 0.000 0.485 535 c N 5.122 123.088 118.600 -1.057 0.000 2.435 535 c HA 0.845 5.415 4.570 -0.000 0.000 0.333 535 c C 0.046 173.807 174.090 -0.550 0.000 1.202 535 c CA -0.817 54.999 56.329 -0.855 0.000 1.830 535 c CB -0.090 41.808 42.510 -1.021 0.000 2.326 535 c HN 0.889 nan 8.230 nan 0.000 0.507 536 I N -0.156 120.214 120.570 -0.333 0.000 3.174 536 I HA 0.873 5.043 4.170 -0.000 0.000 0.313 536 I C -0.230 175.825 176.117 -0.103 0.000 1.155 536 I CA -0.366 60.843 61.300 -0.152 0.000 0.977 536 I CB 2.274 40.236 38.000 -0.062 0.000 1.248 536 I HN 0.637 nan 8.210 nan 0.000 0.453 537 T N -1.450 113.099 114.554 -0.008 0.000 2.887 537 T HA 0.454 4.804 4.350 -0.000 0.000 0.288 537 T C -1.000 173.804 174.700 0.173 0.000 1.021 537 T CA -0.504 61.650 62.100 0.089 0.000 1.000 537 T CB 1.299 70.240 68.868 0.121 0.000 1.034 537 T HN 0.863 nan 8.240 nan 0.000 0.467 538 H N 2.193 121.349 119.070 0.145 0.000 2.860 538 H HA 0.319 4.875 4.556 -0.000 0.000 0.312 538 H C -0.276 175.142 175.328 0.150 0.000 0.995 538 H CA -0.933 55.149 56.048 0.057 0.000 1.311 538 H CB 0.330 30.194 29.762 0.170 0.000 1.478 538 H HN 0.865 nan 8.280 nan 0.000 0.508 539 Y N 1.665 122.004 120.300 0.066 0.000 2.850 539 Y HA -0.540 4.010 4.550 -0.000 0.000 0.469 539 Y C 1.882 177.820 175.900 0.063 0.000 1.165 539 Y CA 1.708 59.810 58.100 0.004 0.000 2.638 539 Y CB -0.921 37.463 38.460 -0.126 0.000 1.196 539 Y HN 0.727 nan 8.280 nan 0.000 0.625 540 N N 1.461 120.302 118.700 0.235 0.000 2.383 540 N HA 0.059 4.799 4.740 -0.000 0.000 0.192 540 N C -0.660 174.934 175.510 0.141 0.000 1.141 540 N CA 0.675 53.812 53.050 0.145 0.000 0.851 540 N CB 0.190 38.719 38.487 0.071 0.000 0.976 540 N HN 0.271 nan 8.380 nan 0.000 0.465 541 K N 0.332 120.840 120.400 0.179 0.000 2.318 541 K HA 0.572 4.892 4.320 -0.000 0.000 0.249 541 K C -0.106 176.520 176.600 0.043 0.000 0.942 541 K CA -0.644 55.693 56.287 0.083 0.000 0.808 541 K CB 2.399 34.922 32.500 0.039 0.000 1.189 541 K HN 0.130 nan 8.250 nan 0.000 0.428 542 G N 1.188 109.908 108.800 -0.135 0.000 2.420 542 G HA2 0.668 4.628 3.960 -0.000 0.000 0.331 542 G HA3 0.668 4.628 3.960 -0.000 0.000 0.331 542 G C -1.449 173.051 174.900 -0.665 0.000 1.168 542 G CA -0.278 44.649 45.100 -0.288 0.000 0.936 542 G HN 0.350 nan 8.290 nan 0.000 0.479 543 Y N -0.912 119.243 120.300 -0.242 0.000 2.553 543 Y HA 0.556 5.106 4.550 0.000 0.000 0.347 543 Y C -0.062 175.552 175.900 -0.478 0.000 1.019 543 Y CA -0.823 57.087 58.100 -0.316 0.000 1.032 543 Y CB 2.332 40.545 38.460 -0.411 0.000 1.284 543 Y HN 0.614 nan 8.280 nan 0.000 0.466 544 c N 2.215 120.617 118.600 -0.330 0.000 2.498 544 c HA 0.610 5.180 4.570 -0.000 0.000 0.316 544 c C -0.817 172.814 174.090 -0.764 0.000 1.209 544 c CA -1.152 54.861 56.329 -0.527 0.000 1.518 544 c CB 0.016 42.326 42.510 -0.334 0.000 2.147 544 c HN 0.649 nan 8.230 nan 0.000 0.483 545 F N 3.080 122.753 119.950 -0.463 0.000 2.420 545 F HA 0.440 4.967 4.527 0.000 0.000 0.342 545 F C 0.844 176.363 175.800 -0.468 0.000 1.113 545 F CA -0.170 57.607 58.000 -0.372 0.000 1.059 545 F CB 0.848 39.687 39.000 -0.267 0.000 1.128 545 F HN 0.519 nan 8.300 nan 0.000 0.475 546 H N 4.937 124.141 119.070 0.223 0.000 2.547 546 H HA 0.473 5.029 4.556 0.000 0.000 0.342 546 H C -0.656 174.811 175.328 0.233 0.000 1.048 546 H CA -0.558 55.606 56.048 0.194 0.000 1.204 546 H CB 2.159 32.036 29.762 0.190 0.000 1.493 546 H HN 0.484 nan 8.280 nan 0.000 0.511 547 I N 3.450 124.192 120.570 0.287 0.000 2.378 547 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 547 I C -0.300 175.987 176.117 0.284 0.000 0.992 547 I CA -0.867 60.568 61.300 0.226 0.000 1.154 547 I CB 1.831 39.908 38.000 0.128 0.000 1.315 547 I HN 0.152 nan 8.210 nan 0.000 0.448 548 V N 5.812 125.918 119.914 0.320 0.000 2.483 548 V HA 0.230 4.350 4.120 -0.000 0.000 0.297 548 V C -0.031 176.211 176.094 0.246 0.000 1.027 548 V CA -0.828 61.648 62.300 0.294 0.000 0.855 548 V CB 1.791 33.802 31.823 0.313 0.000 0.995 548 V HN 0.665 nan 8.190 nan 0.000 0.424 549 E N 4.696 125.024 120.200 0.214 0.000 2.328 549 E HA 0.198 4.548 4.350 -0.000 0.000 0.265 549 E C -0.779 175.896 176.600 0.125 0.000 1.057 549 E CA -0.050 56.449 56.400 0.164 0.000 0.916 549 E CB 0.657 30.480 29.700 0.204 0.000 0.993 549 E HN 0.355 nan 8.360 nan 0.000 0.446 550 I N 3.402 124.019 120.570 0.078 0.000 2.412 550 I HA 0.150 4.320 4.170 -0.000 0.000 0.296 550 I C 0.419 176.500 176.117 -0.059 0.000 0.987 550 I CA -0.667 60.668 61.300 0.059 0.000 1.180 550 I CB 1.372 39.447 38.000 0.125 0.000 1.340 550 I HN 0.464 nan 8.210 nan 0.000 0.455 551 N N 5.295 123.995 118.700 -0.000 0.000 2.498 551 N HA 0.178 4.918 4.740 -0.000 0.000 0.287 551 N C -0.866 174.688 175.510 0.073 0.000 1.097 551 N CA -0.217 52.823 53.050 -0.016 0.000 0.973 551 N CB 0.688 39.197 38.487 0.036 0.000 1.153 551 N HN 0.524 nan 8.380 nan 0.000 0.472 552 H N 3.056 122.159 119.070 0.056 0.000 2.690 552 H HA 0.155 4.711 4.556 -0.000 0.000 0.280 552 H C 0.798 176.149 175.328 0.040 0.000 1.138 552 H CA -0.641 55.435 56.048 0.046 0.000 1.241 552 H CB 1.306 31.095 29.762 0.044 0.000 1.394 552 H HN 0.502 nan 8.280 nan 0.000 0.489 553 K N 1.460 121.949 120.400 0.149 0.000 2.113 553 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 553 K C 1.746 178.395 176.600 0.080 0.000 1.047 553 K CA 1.522 57.862 56.287 0.089 0.000 0.928 553 K CB 0.098 32.636 32.500 0.064 0.000 0.716 553 K HN 0.483 nan 8.250 nan 0.000 0.446 554 S N 1.911 117.660 115.700 0.082 0.000 2.492 554 S HA -0.184 4.286 4.470 -0.000 0.000 0.234 554 S C 1.713 176.352 174.600 0.066 0.000 1.050 554 S CA 1.321 59.554 58.200 0.055 0.000 1.203 554 S CB -0.502 62.715 63.200 0.027 0.000 1.161 554 S HN 0.133 nan 8.310 nan 0.000 0.417 555 L N 2.446 123.725 121.223 0.093 0.000 2.551 555 L HA 0.141 4.481 4.340 -0.000 0.000 0.228 555 L C 1.223 178.143 176.870 0.085 0.000 1.153 555 L CA 1.024 55.918 54.840 0.090 0.000 0.851 555 L CB -2.429 39.700 42.059 0.116 0.000 0.959 555 L HN 0.677 nan 8.230 nan 0.000 0.451 556 N N 0.226 118.979 118.700 0.088 0.000 2.818 556 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 556 N C -0.015 175.534 175.510 0.065 0.000 1.108 556 N CA 0.552 53.642 53.050 0.068 0.000 0.745 556 N CB -0.463 38.057 38.487 0.054 0.000 1.104 556 N HN 0.574 nan 8.380 nan 0.000 0.557 557 T N -2.194 112.404 114.554 0.073 0.000 2.773 557 T HA 0.786 5.136 4.350 -0.000 0.000 0.278 557 T C -0.039 174.647 174.700 -0.023 0.000 1.011 557 T CA -0.918 61.208 62.100 0.043 0.000 1.014 557 T CB 2.245 71.152 68.868 0.065 0.000 1.293 557 T HN 0.124 nan 8.240 nan 0.000 0.554 558 L N 0.494 121.693 121.223 -0.039 0.000 2.341 558 L HA 0.793 5.133 4.340 -0.000 0.000 0.267 558 L C -0.941 175.850 176.870 -0.131 0.000 1.009 558 L CA -0.978 53.809 54.840 -0.088 0.000 0.819 558 L CB 2.151 44.215 42.059 0.008 0.000 1.323 558 L HN 0.771 nan 8.230 nan 0.000 0.425 559 Q N 2.690 122.377 119.800 -0.188 0.000 2.296 559 Q HA 0.432 4.772 4.340 -0.000 0.000 0.254 559 Q C -2.779 173.213 176.000 -0.013 0.000 0.936 559 Q CA -1.444 54.295 55.803 -0.107 0.000 0.834 559 Q CB 2.557 31.184 28.738 -0.184 0.000 1.340 559 Q HN 0.097 nan 8.270 nan 0.000 0.428 560 P HA 0.181 nan 4.420 nan 0.000 0.268 560 P C -1.086 176.240 177.300 0.043 0.000 1.205 560 P CA 0.038 63.199 63.100 0.101 0.000 0.771 560 P CB 0.540 32.347 31.700 0.179 0.000 0.858 561 M N 3.484 123.106 119.600 0.037 0.000 2.457 561 M HA 0.469 4.949 4.480 -0.000 0.000 0.300 561 M C -1.639 174.514 176.300 -0.246 0.000 1.141 561 M CA -1.269 53.950 55.300 -0.136 0.000 0.901 561 M CB 1.612 34.110 32.600 -0.169 0.000 1.687 561 M HN 0.089 nan 8.290 nan 0.000 0.449 562 L N 4.323 125.316 121.223 -0.382 0.000 2.312 562 L HA 0.695 5.035 4.340 -0.000 0.000 0.281 562 L C -2.000 174.554 176.870 -0.528 0.000 1.070 562 L CA 0.335 55.006 54.840 -0.282 0.000 0.805 562 L CB 0.834 42.754 42.059 -0.231 0.000 1.174 562 L HN 0.672 nan 8.230 nan 0.000 0.434 563 F N 3.227 123.252 119.950 0.125 0.000 2.577 563 F HA 0.705 5.232 4.527 0.000 0.000 0.318 563 F C -0.358 175.578 175.800 0.225 0.000 1.065 563 F CA -0.744 57.354 58.000 0.163 0.000 0.929 563 F CB 1.993 41.093 39.000 0.165 0.000 1.237 563 F HN 0.265 nan 8.300 nan 0.000 0.468 564 K N 0.470 121.086 120.400 0.359 0.000 2.468 564 K HA 0.723 5.043 4.320 -0.000 0.000 0.252 564 K C -1.041 175.692 176.600 0.222 0.000 0.932 564 K CA -0.849 55.555 56.287 0.195 0.000 0.794 564 K CB 2.323 34.869 32.500 0.077 0.000 1.241 564 K HN 0.678 nan 8.250 nan 0.000 0.428 565 T N -2.026 112.645 114.554 0.194 0.000 2.903 565 T HA 0.452 4.802 4.350 -0.000 0.000 0.299 565 T C -0.947 173.841 174.700 0.147 0.000 1.093 565 T CA -1.002 61.237 62.100 0.231 0.000 1.002 565 T CB 1.680 70.781 68.868 0.389 0.000 1.127 565 T HN 0.533 nan 8.240 nan 0.000 0.488 566 E N 1.441 121.683 120.200 0.070 0.000 2.283 566 E HA 0.433 4.783 4.350 -0.000 0.000 0.278 566 E C -0.406 176.052 176.600 -0.237 0.000 1.027 566 E CA -0.880 55.428 56.400 -0.153 0.000 0.843 566 E CB 0.663 30.271 29.700 -0.153 0.000 1.062 566 E HN 0.590 nan 8.360 nan 0.000 0.401 567 I N 6.686 127.062 120.570 -0.324 0.000 2.517 567 I HA 0.091 4.261 4.170 -0.000 0.000 0.285 567 I C -1.628 174.278 176.117 -0.352 0.000 1.106 567 I CA -1.619 59.429 61.300 -0.419 0.000 1.402 567 I CB 0.581 38.514 38.000 -0.112 0.000 1.399 567 I HN 0.438 nan 8.210 nan 0.000 0.535 568 P HA 0.064 nan 4.420 nan 0.000 0.220 568 P C -0.480 176.759 177.300 -0.101 0.000 1.806 568 P CA -0.122 62.829 63.100 -0.249 0.000 0.976 568 P CB 0.040 31.591 31.700 -0.248 0.000 1.952 569 K N 1.751 122.126 120.400 -0.042 0.000 2.138 569 K HA 0.481 4.801 4.320 -0.000 0.000 0.263 569 K C -0.255 176.253 176.600 -0.152 0.000 0.965 569 K CA -0.240 56.026 56.287 -0.034 0.000 0.868 569 K CB 1.547 34.049 32.500 0.003 0.000 1.083 569 K HN 0.309 nan 8.250 nan 0.000 0.443 570 S N 1.669 117.250 115.700 -0.198 0.000 2.819 570 S HA 0.606 5.076 4.470 -0.000 0.000 0.299 570 S C -1.043 173.407 174.600 -0.250 0.000 1.192 570 S CA -0.838 57.245 58.200 -0.195 0.000 0.847 570 S CB 1.029 64.158 63.200 -0.119 0.000 1.224 570 S HN 0.637 nan 8.310 nan 0.000 0.537 571 c N 1.632 120.114 118.600 -0.197 0.000 2.563 571 c HA 1.020 5.590 4.570 -0.000 0.000 0.314 571 c C 0.133 174.147 174.090 -0.126 0.000 1.199 571 c CA 0.021 56.234 56.329 -0.194 0.000 1.564 571 c CB 1.059 43.456 42.510 -0.189 0.000 2.173 571 c HN 1.210 nan 8.230 nan 0.000 0.485 572 S N 0.000 115.636 115.700 -0.106 0.000 2.498 572 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 572 S CA 0.000 58.158 58.200 -0.069 0.000 1.107 572 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517