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 3dkp_1_A DATA FIRST_RESID 137 DATA SEQUENCE SMKINFLRNK HKIHVQGTDL PDPIATFQQL DQEYKINSRL LQNILDAGFQ DATA SEQUENCE MPTPIQMQAI PVMLHGRELL ASAPTGSGKT LAFSIPILMQ LKQPANKGFR DATA SEQUENCE ALIISPTREL ASQIHRELIK ISEGTGFRIH MIHKAAVAAK KFGPKSSKKF DATA SEQUENCE DILVTTPNRL IYLLKQDPPG IDLASVEWLV VDESDKLFED GXXGFRDQLA DATA SEQUENCE SIFLACTSHK VRRAMFSATF AYDVEQWCKL NLDNVISVSI GA 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 137 S HA 0.000 nan 4.470 nan 0.000 0.327 137 S C 0.000 174.618 174.600 0.031 0.000 1.055 137 S CA 0.000 58.213 58.200 0.021 0.000 1.107 137 S CB 0.000 63.208 63.200 0.013 0.000 0.593 138 M N 2.081 121.696 119.600 0.025 0.000 2.108 138 M HA 0.047 4.562 4.480 0.058 0.000 0.261 138 M C 2.053 178.392 176.300 0.066 0.000 1.066 138 M CA 1.704 57.026 55.300 0.036 0.000 1.107 138 M CB -1.235 31.371 32.600 0.011 0.000 1.356 138 M HN 0.476 nan 8.290 nan 0.000 0.406 139 K N 0.015 120.440 120.400 0.041 0.000 2.020 139 K HA -0.178 4.177 4.320 0.058 0.000 0.212 139 K C 1.873 178.557 176.600 0.139 0.000 1.050 139 K CA 1.238 57.563 56.287 0.063 0.000 0.929 139 K CB -0.104 32.413 32.500 0.029 0.000 0.714 139 K HN 0.212 nan 8.250 nan 0.000 0.443 140 I N 1.718 122.341 120.570 0.088 0.000 2.202 140 I HA -0.238 3.967 4.170 0.058 0.000 0.242 140 I C 1.776 177.935 176.117 0.069 0.000 1.091 140 I CA 1.315 62.659 61.300 0.074 0.000 1.368 140 I CB -1.361 36.663 38.000 0.040 0.000 1.058 140 I HN 0.194 nan 8.210 nan 0.000 0.410 141 N N 1.091 119.830 118.700 0.065 0.000 2.104 141 N HA -0.235 4.540 4.740 0.058 0.000 0.190 141 N C 1.837 177.380 175.510 0.054 0.000 1.024 141 N CA 1.173 54.249 53.050 0.043 0.000 0.853 141 N CB -0.787 37.724 38.487 0.041 0.000 1.008 141 N HN 0.318 nan 8.380 nan 0.000 0.424 142 F N 1.653 121.581 119.950 -0.036 0.000 2.095 142 F HA -0.121 4.431 4.527 0.041 0.000 0.298 142 F C 2.091 177.852 175.800 -0.064 0.000 1.104 142 F CA 1.165 59.133 58.000 -0.053 0.000 1.232 142 F CB -0.364 38.610 39.000 -0.043 0.000 0.987 142 F HN -0.032 nan 8.300 nan 0.000 0.475 143 L N 0.020 121.278 121.223 0.058 0.000 1.989 143 L HA -0.255 4.119 4.340 0.058 0.000 0.211 143 L C 2.768 179.585 176.870 -0.090 0.000 1.071 143 L CA 1.757 56.612 54.840 0.024 0.000 0.749 143 L CB -0.629 41.510 42.059 0.133 0.000 0.890 143 L HN 0.110 nan 8.230 nan 0.000 0.431 144 R N -0.509 119.938 120.500 -0.089 0.000 2.090 144 R HA -0.087 4.288 4.340 0.058 0.000 0.228 144 R C 2.030 178.201 176.300 -0.216 0.000 1.110 144 R CA 1.086 57.111 56.100 -0.125 0.000 0.973 144 R CB -0.286 29.955 30.300 -0.098 0.000 0.869 144 R HN 0.533 nan 8.270 nan 0.000 0.440 145 N N 0.730 119.286 118.700 -0.241 0.000 2.173 145 N HA -0.141 4.634 4.740 0.058 0.000 0.184 145 N C 1.738 177.030 175.510 -0.363 0.000 1.025 145 N CA 0.902 53.795 53.050 -0.261 0.000 0.852 145 N CB 0.008 38.385 38.487 -0.184 0.000 0.998 145 N HN 0.025 nan 8.380 nan 0.000 0.427 146 K N 1.038 121.071 120.400 -0.611 0.000 2.057 146 K HA -0.108 4.247 4.320 0.058 0.000 0.207 146 K C 1.289 177.513 176.600 -0.628 0.000 1.049 146 K CA 1.391 57.209 56.287 -0.782 0.000 0.931 146 K CB -0.079 31.554 32.500 -1.445 0.000 0.714 146 K HN 0.313 nan 8.250 nan 0.000 0.440 147 H N 0.587 119.479 119.070 -0.297 0.000 2.549 147 H HA 0.189 4.775 4.556 0.051 0.000 0.279 147 H C -0.212 175.006 175.328 -0.183 0.000 1.018 147 H CA 0.240 56.167 56.048 -0.201 0.000 1.175 147 H CB 0.663 30.323 29.762 -0.171 0.000 1.485 147 H HN 0.079 nan 8.280 nan 0.000 0.543 148 K N 0.340 120.638 120.400 -0.170 0.000 3.117 148 K HA -0.169 4.186 4.320 0.058 0.000 0.269 148 K C -0.136 176.274 176.600 -0.318 0.000 1.098 148 K CA 0.323 56.460 56.287 -0.251 0.000 0.785 148 K CB -2.545 29.895 32.500 -0.100 0.000 1.242 148 K HN 0.436 nan 8.250 nan 0.000 0.491 149 I N 2.041 122.445 120.570 -0.275 0.000 2.347 149 I HA 0.033 4.238 4.170 0.058 0.000 0.294 149 I C 0.611 176.557 176.117 -0.285 0.000 1.090 149 I CA -0.286 60.891 61.300 -0.205 0.000 1.314 149 I CB 0.028 37.957 38.000 -0.118 0.000 1.423 149 I HN 0.052 nan 8.210 nan 0.000 0.503 150 H N 4.917 123.922 119.070 -0.109 0.000 2.517 150 H HA 0.495 5.089 4.556 0.062 0.000 0.317 150 H C -0.356 174.888 175.328 -0.140 0.000 1.080 150 H CA -0.562 55.414 56.048 -0.120 0.000 1.301 150 H CB 1.360 31.032 29.762 -0.150 0.000 1.425 150 H HN 0.403 nan 8.280 nan 0.000 0.471 151 V N 1.478 121.392 119.914 0.001 0.000 2.588 151 V HA 0.524 4.679 4.120 0.058 0.000 0.304 151 V C -0.533 175.553 176.094 -0.013 0.000 1.042 151 V CA -0.868 61.413 62.300 -0.032 0.000 0.877 151 V CB 1.931 33.732 31.823 -0.036 0.000 0.996 151 V HN 0.757 nan 8.190 nan 0.000 0.425 152 Q N 1.849 121.640 119.800 -0.016 0.000 2.394 152 Q HA 0.834 5.209 4.340 0.058 0.000 0.273 152 Q C -0.123 175.882 176.000 0.009 0.000 1.089 152 Q CA 0.059 55.867 55.803 0.008 0.000 0.812 152 Q CB 2.325 31.081 28.738 0.031 0.000 1.353 152 Q HN 1.648 nan 8.270 nan 0.000 0.438 153 G N 0.388 109.196 108.800 0.012 0.000 2.359 153 G HA2 0.085 4.079 3.960 0.058 0.000 0.303 153 G HA3 0.085 4.079 3.960 0.058 0.000 0.303 153 G C -1.107 173.797 174.900 0.008 0.000 1.293 153 G CA -0.332 44.775 45.100 0.012 0.000 0.964 153 G HN 0.673 nan 8.290 nan 0.000 0.531 154 T N -2.002 112.556 114.554 0.008 0.000 2.888 154 T HA 0.633 5.018 4.350 0.058 0.000 0.284 154 T C 0.182 174.884 174.700 0.003 0.000 1.017 154 T CA 0.663 62.766 62.100 0.006 0.000 1.022 154 T CB 1.976 70.848 68.868 0.007 0.000 1.013 154 T HN 1.438 nan 8.240 nan 0.000 0.465 155 D N 0.963 121.363 120.400 -0.001 0.000 2.699 155 D HA -0.129 4.546 4.640 0.058 0.000 0.239 155 D C -0.362 175.922 176.300 -0.025 0.000 1.136 155 D CA 0.257 54.254 54.000 -0.006 0.000 0.668 155 D CB -0.805 39.999 40.800 0.007 0.000 1.060 155 D HN 0.649 nan 8.370 nan 0.000 0.429 156 L N 0.822 122.027 121.223 -0.029 0.000 2.462 156 L HA 0.220 4.595 4.340 0.058 0.000 0.272 156 L C -1.527 175.291 176.870 -0.087 0.000 1.166 156 L CA -1.211 53.602 54.840 -0.045 0.000 0.880 156 L CB -0.152 41.889 42.059 -0.030 0.000 1.142 156 L HN -0.087 nan 8.230 nan 0.000 0.473 157 P HA 0.078 nan 4.420 nan 0.000 0.271 157 P C -0.839 176.406 177.300 -0.093 0.000 1.216 157 P CA -0.396 62.563 63.100 -0.236 0.000 0.776 157 P CB 0.433 31.919 31.700 -0.356 0.000 0.881 158 D N 3.451 123.819 120.400 -0.053 0.000 2.423 158 D HA 0.085 4.759 4.640 0.058 0.000 0.238 158 D C -1.935 174.378 176.300 0.021 0.000 1.142 158 D CA -0.836 53.162 54.000 -0.003 0.000 0.884 158 D CB -0.366 40.445 40.800 0.019 0.000 1.199 158 D HN 0.271 nan 8.370 nan 0.000 0.438 159 P HA 0.154 nan 4.420 nan 0.000 0.274 159 P C -0.223 177.096 177.300 0.031 0.000 1.237 159 P CA -0.464 62.644 63.100 0.013 0.000 0.793 159 P CB 0.489 32.185 31.700 -0.006 0.000 0.977 160 I N -2.007 118.574 120.570 0.018 0.000 2.428 160 I HA 0.584 4.789 4.170 0.058 0.000 0.296 160 I C 1.166 177.256 176.117 -0.044 0.000 0.985 160 I CA -0.544 60.767 61.300 0.017 0.000 1.260 160 I CB 1.130 39.153 38.000 0.038 0.000 1.389 160 I HN 0.290 nan 8.210 nan 0.000 0.484 161 A N 3.689 126.496 122.820 -0.022 0.000 1.975 161 A HA 0.218 4.573 4.320 0.058 0.000 0.215 161 A C 1.168 178.683 177.584 -0.116 0.000 1.170 161 A CA 1.444 53.461 52.037 -0.035 0.000 0.656 161 A CB -0.593 18.424 19.000 0.030 0.000 0.821 161 A HN 0.915 nan 8.150 nan 0.000 0.449 162 T N -5.940 108.543 114.554 -0.118 0.000 2.883 162 T HA 0.556 4.941 4.350 0.058 0.000 0.301 162 T C 0.114 174.729 174.700 -0.141 0.000 1.158 162 T CA -0.552 61.455 62.100 -0.156 0.000 1.007 162 T CB 0.591 69.442 68.868 -0.029 0.000 1.186 162 T HN -0.037 nan 8.240 nan 0.000 0.499 163 F N 0.781 120.750 119.950 0.031 0.000 2.365 163 F HA 0.045 4.612 4.527 0.067 0.000 0.300 163 F C 2.593 178.422 175.800 0.048 0.000 1.090 163 F CA 0.769 58.790 58.000 0.035 0.000 1.408 163 F CB -0.827 38.194 39.000 0.035 0.000 1.060 163 F HN 0.536 nan 8.300 nan 0.000 0.534 164 Q N 0.188 120.105 119.800 0.196 0.000 2.124 164 Q HA -0.198 4.177 4.340 0.058 0.000 0.202 164 Q C 2.179 178.251 176.000 0.120 0.000 0.977 164 Q CA 1.386 57.270 55.803 0.136 0.000 0.850 164 Q CB -0.537 28.257 28.738 0.094 0.000 0.901 164 Q HN 0.440 nan 8.270 nan 0.000 0.429 165 Q N 0.045 119.909 119.800 0.108 0.000 2.156 165 Q HA -0.227 4.147 4.340 0.058 0.000 0.211 165 Q C 2.031 178.136 176.000 0.174 0.000 0.995 165 Q CA 1.366 57.238 55.803 0.115 0.000 0.877 165 Q CB -0.416 28.389 28.738 0.111 0.000 0.920 165 Q HN 0.444 nan 8.270 nan 0.000 0.416 166 L N 0.429 121.786 121.223 0.222 0.000 2.201 166 L HA -0.180 4.195 4.340 0.058 0.000 0.212 166 L C 2.168 179.177 176.870 0.233 0.000 1.105 166 L CA 1.041 56.060 54.840 0.298 0.000 0.775 166 L CB -0.400 41.800 42.059 0.235 0.000 0.913 166 L HN 0.229 nan 8.230 nan 0.000 0.440 167 D N -0.114 120.382 120.400 0.159 0.000 2.123 167 D HA -0.183 4.492 4.640 0.058 0.000 0.200 167 D C 2.187 178.542 176.300 0.092 0.000 0.976 167 D CA 1.333 55.402 54.000 0.116 0.000 0.831 167 D CB 0.138 40.990 40.800 0.087 0.000 0.974 167 D HN 0.247 nan 8.370 nan 0.000 0.469 168 Q N -0.232 119.616 119.800 0.080 0.000 2.079 168 Q HA -0.089 4.286 4.340 0.058 0.000 0.200 168 Q C 2.120 178.123 176.000 0.006 0.000 0.974 168 Q CA 1.487 57.315 55.803 0.042 0.000 0.840 168 Q CB 0.031 28.791 28.738 0.038 0.000 0.898 168 Q HN 0.469 nan 8.270 nan 0.000 0.430 169 E N -1.124 119.076 120.200 -0.000 0.000 2.166 169 E HA -0.050 4.335 4.350 0.058 0.000 0.192 169 E C 0.799 177.170 176.600 -0.381 0.000 0.967 169 E CA 0.712 56.993 56.400 -0.198 0.000 0.840 169 E CB 0.322 29.874 29.700 -0.246 0.000 0.795 169 E HN 0.398 nan 8.360 nan 0.000 0.470 170 Y N -0.050 120.278 120.300 0.046 0.000 2.453 170 Y HA 0.270 4.833 4.550 0.021 0.000 0.247 170 Y C 0.334 176.257 175.900 0.039 0.000 1.124 170 Y CA -0.368 57.755 58.100 0.038 0.000 1.243 170 Y CB 0.793 39.278 38.460 0.042 0.000 1.213 170 Y HN -0.197 nan 8.280 nan 0.000 0.523 171 K N 1.522 122.019 120.400 0.162 0.000 3.125 171 K HA -0.234 4.121 4.320 0.058 0.000 0.268 171 K C -0.100 176.568 176.600 0.114 0.000 1.078 171 K CA 0.072 56.424 56.287 0.109 0.000 0.775 171 K CB -1.422 31.125 32.500 0.078 0.000 1.253 171 K HN 0.561 nan 8.250 nan 0.000 0.486 172 I N 1.342 121.990 120.570 0.130 0.000 2.948 172 I HA -0.136 4.069 4.170 0.058 0.000 0.303 172 I C 0.794 176.956 176.117 0.074 0.000 1.224 172 I CA 0.358 61.716 61.300 0.096 0.000 1.442 172 I CB 0.194 38.245 38.000 0.085 0.000 1.328 172 I HN 0.432 nan 8.210 nan 0.000 0.578 173 N N 4.808 123.551 118.700 0.071 0.000 2.294 173 N HA -0.127 4.648 4.740 0.058 0.000 0.263 173 N C 1.160 176.696 175.510 0.044 0.000 1.281 173 N CA 0.770 53.859 53.050 0.065 0.000 0.846 173 N CB 0.835 39.374 38.487 0.086 0.000 1.061 173 N HN 0.777 nan 8.380 nan 0.000 0.478 174 S N 3.963 119.686 115.700 0.038 0.000 2.402 174 S HA -0.188 4.317 4.470 0.058 0.000 0.229 174 S C 1.840 176.448 174.600 0.015 0.000 1.021 174 S CA 0.683 58.899 58.200 0.026 0.000 0.974 174 S CB -0.060 63.154 63.200 0.024 0.000 0.800 174 S HN 0.712 nan 8.310 nan 0.000 0.484 175 R N 1.177 121.688 120.500 0.018 0.000 2.066 175 R HA 0.116 4.491 4.340 0.058 0.000 0.232 175 R C 2.209 178.507 176.300 -0.003 0.000 1.131 175 R CA 1.302 57.407 56.100 0.008 0.000 0.955 175 R CB -1.250 29.059 30.300 0.016 0.000 0.851 175 R HN 0.431 nan 8.270 nan 0.000 0.432 176 L N 0.468 121.696 121.223 0.008 0.000 1.990 176 L HA -0.138 4.237 4.340 0.058 0.000 0.213 176 L C 2.037 178.873 176.870 -0.057 0.000 1.072 176 L CA 1.935 56.764 54.840 -0.019 0.000 0.755 176 L CB -1.096 40.960 42.059 -0.005 0.000 0.889 176 L HN 0.408 nan 8.230 nan 0.000 0.432 177 L N -0.636 120.563 121.223 -0.040 0.000 2.079 177 L HA -0.236 4.139 4.340 0.058 0.000 0.210 177 L C 2.519 179.353 176.870 -0.061 0.000 1.081 177 L CA 2.098 56.904 54.840 -0.056 0.000 0.752 177 L CB -0.846 41.213 42.059 -0.000 0.000 0.896 177 L HN 0.520 nan 8.230 nan 0.000 0.433 178 Q N -0.450 119.327 119.800 -0.039 0.000 2.119 178 Q HA -0.167 4.208 4.340 0.058 0.000 0.201 178 Q C 2.006 177.962 176.000 -0.073 0.000 0.972 178 Q CA 1.666 57.443 55.803 -0.043 0.000 0.847 178 Q CB -0.253 28.469 28.738 -0.027 0.000 0.903 178 Q HN 0.556 nan 8.270 nan 0.000 0.433 179 N N -0.032 118.621 118.700 -0.078 0.000 2.069 179 N HA -0.133 4.642 4.740 0.058 0.000 0.191 179 N C 1.720 177.136 175.510 -0.156 0.000 1.031 179 N CA 1.496 54.485 53.050 -0.102 0.000 0.852 179 N CB -0.306 38.133 38.487 -0.079 0.000 1.018 179 N HN 0.326 nan 8.380 nan 0.000 0.423 180 I N 1.045 121.521 120.570 -0.157 0.000 2.127 180 I HA -0.275 3.930 4.170 0.058 0.000 0.241 180 I C 2.073 178.072 176.117 -0.196 0.000 1.075 180 I CA 1.040 62.230 61.300 -0.184 0.000 1.334 180 I CB -0.270 37.508 38.000 -0.368 0.000 1.040 180 I HN 0.083 nan 8.210 nan 0.000 0.405 181 L N -0.081 121.060 121.223 -0.136 0.000 2.056 181 L HA -0.216 4.159 4.340 0.058 0.000 0.207 181 L C 2.117 178.910 176.870 -0.127 0.000 1.078 181 L CA 1.186 55.982 54.840 -0.073 0.000 0.749 181 L CB -0.867 41.183 42.059 -0.015 0.000 0.901 181 L HN 0.246 nan 8.230 nan 0.000 0.433 182 D N 0.643 120.957 120.400 -0.143 0.000 2.221 182 D HA -0.155 4.520 4.640 0.058 0.000 0.204 182 D C 2.075 178.224 176.300 -0.251 0.000 0.982 182 D CA 1.404 55.310 54.000 -0.155 0.000 0.857 182 D CB 0.023 40.747 40.800 -0.126 0.000 0.934 182 D HN 0.314 nan 8.370 nan 0.000 0.475 183 A N -0.419 122.148 122.820 -0.423 0.000 2.235 183 A HA 0.342 4.697 4.320 0.058 0.000 0.208 183 A C 1.822 178.943 177.584 -0.772 0.000 1.172 183 A CA 1.214 52.821 52.037 -0.717 0.000 0.786 183 A CB -0.257 18.013 19.000 -1.217 0.000 0.804 183 A HN 0.269 nan 8.150 nan 0.000 0.479 184 G N -1.944 106.592 108.800 -0.440 0.000 2.141 184 G HA2 -0.217 3.778 3.960 0.058 0.000 0.242 184 G HA3 -0.217 3.778 3.960 0.058 0.000 0.242 184 G C -0.124 174.777 174.900 0.002 0.000 0.982 184 G CA 0.061 45.050 45.100 -0.185 0.000 0.662 184 G HN 0.369 nan 8.290 nan 0.000 0.527 185 F N 1.790 121.750 119.950 0.018 0.000 2.619 185 F HA 0.466 5.028 4.527 0.058 0.000 0.350 185 F C 1.552 177.464 175.800 0.188 0.000 1.259 185 F CA -0.336 57.717 58.000 0.089 0.000 1.204 185 F CB 0.402 39.426 39.000 0.041 0.000 1.556 185 F HN 0.234 nan 8.300 nan 0.000 0.650 186 Q N 3.203 123.183 119.800 0.300 0.000 2.167 186 Q HA -0.019 4.355 4.340 0.058 0.000 0.202 186 Q C 0.565 176.703 176.000 0.229 0.000 0.970 186 Q CA 1.088 57.024 55.803 0.222 0.000 0.855 186 Q CB 0.148 28.962 28.738 0.126 0.000 0.911 186 Q HN 0.712 nan 8.270 nan 0.000 0.438 187 M N 0.807 120.512 119.600 0.176 0.000 2.378 187 M HA 0.565 5.080 4.480 0.058 0.000 0.289 187 M C -2.774 173.379 176.300 -0.246 0.000 1.136 187 M CA -2.525 52.726 55.300 -0.083 0.000 0.917 187 M CB 2.561 35.122 32.600 -0.065 0.000 1.669 187 M HN -0.008 nan 8.290 nan 0.000 0.461 188 P HA 0.150 nan 4.420 nan 0.000 0.269 188 P C -0.584 176.525 177.300 -0.318 0.000 1.215 188 P CA 0.007 62.734 63.100 -0.620 0.000 0.780 188 P CB 0.331 31.550 31.700 -0.803 0.000 0.898 189 T N -1.110 113.323 114.554 -0.202 0.000 2.828 189 T HA 0.221 4.606 4.350 0.058 0.000 0.290 189 T C -1.798 172.776 174.700 -0.211 0.000 1.019 189 T CA -1.632 60.358 62.100 -0.184 0.000 1.031 189 T CB -0.097 68.695 68.868 -0.125 0.000 1.001 189 T HN 0.142 nan 8.240 nan 0.000 0.531 190 P HA -0.085 nan 4.420 nan 0.000 0.216 190 P C 1.529 178.767 177.300 -0.104 0.000 1.153 190 P CA 0.465 63.461 63.100 -0.174 0.000 0.858 190 P CB -0.068 31.578 31.700 -0.089 0.000 0.789 191 I N -0.583 119.949 120.570 -0.064 0.000 2.252 191 I HA -0.219 3.986 4.170 0.058 0.000 0.245 191 I C 2.132 178.246 176.117 -0.005 0.000 1.102 191 I CA 1.609 62.899 61.300 -0.017 0.000 1.385 191 I CB -0.957 37.067 38.000 0.040 0.000 1.064 191 I HN -0.086 nan 8.210 nan 0.000 0.414 192 Q N -0.474 119.305 119.800 -0.035 0.000 2.061 192 Q HA -0.254 4.121 4.340 0.058 0.000 0.204 192 Q C 2.296 178.258 176.000 -0.063 0.000 0.984 192 Q CA 2.237 58.020 55.803 -0.034 0.000 0.846 192 Q CB -0.350 28.361 28.738 -0.044 0.000 0.902 192 Q HN 0.502 nan 8.270 nan 0.000 0.421 193 M N -0.173 119.354 119.600 -0.122 0.000 2.082 193 M HA -0.279 4.236 4.480 0.058 0.000 0.258 193 M C 2.219 178.483 176.300 -0.059 0.000 1.069 193 M CA 1.709 56.935 55.300 -0.124 0.000 1.102 193 M CB -0.147 32.355 32.600 -0.163 0.000 1.336 193 M HN 0.148 nan 8.290 nan 0.000 0.404 194 Q N -0.535 119.236 119.800 -0.048 0.000 2.349 194 Q HA 0.185 4.560 4.340 0.058 0.000 0.209 194 Q C 1.814 177.808 176.000 -0.011 0.000 0.920 194 Q CA 1.193 56.979 55.803 -0.029 0.000 0.901 194 Q CB -0.015 28.697 28.738 -0.042 0.000 1.021 194 Q HN 0.403 nan 8.270 nan 0.000 0.519 195 A N 0.398 123.220 122.820 0.002 0.000 1.929 195 A HA -0.062 4.293 4.320 0.058 0.000 0.216 195 A C 1.993 179.601 177.584 0.041 0.000 1.176 195 A CA 1.127 53.185 52.037 0.036 0.000 0.628 195 A CB -0.610 18.469 19.000 0.132 0.000 0.816 195 A HN 0.434 nan 8.150 nan 0.000 0.444 196 I N 0.424 121.005 120.570 0.018 0.000 2.127 196 I HA -0.168 4.037 4.170 0.058 0.000 0.241 196 I C -0.448 175.647 176.117 -0.037 0.000 1.075 196 I CA 1.614 62.900 61.300 -0.024 0.000 1.334 196 I CB -0.987 36.997 38.000 -0.025 0.000 1.040 196 I HN 0.257 nan 8.210 nan 0.000 0.405 197 P HA -0.062 nan 4.420 nan 0.000 0.221 197 P C 1.964 179.373 177.300 0.182 0.000 1.150 197 P CA 1.101 64.256 63.100 0.092 0.000 0.800 197 P CB -0.040 31.750 31.700 0.149 0.000 0.787 198 V N 0.199 120.173 119.914 0.100 0.000 2.287 198 V HA -0.252 3.903 4.120 0.058 0.000 0.248 198 V C 2.738 178.956 176.094 0.207 0.000 1.053 198 V CA 2.057 64.431 62.300 0.123 0.000 1.027 198 V CB -1.160 30.705 31.823 0.069 0.000 0.646 198 V HN 0.054 nan 8.190 nan 0.000 0.447 199 M N -1.016 118.665 119.600 0.136 0.000 2.200 199 M HA -0.089 4.425 4.480 0.058 0.000 0.265 199 M C 2.141 178.614 176.300 0.287 0.000 1.066 199 M CA 1.677 57.073 55.300 0.161 0.000 1.127 199 M CB -0.373 32.032 32.600 -0.326 0.000 1.379 199 M HN 0.263 nan 8.290 nan 0.000 0.420 200 L N -0.997 120.296 121.223 0.117 0.000 2.131 200 L HA -0.214 4.160 4.340 0.058 0.000 0.210 200 L C 2.090 179.047 176.870 0.144 0.000 1.092 200 L CA 0.945 55.816 54.840 0.051 0.000 0.759 200 L CB -0.759 41.115 42.059 -0.307 0.000 0.903 200 L HN 0.406 nan 8.230 nan 0.000 0.435 201 H N -0.097 119.085 119.070 0.186 0.000 2.543 201 H HA 0.071 4.660 4.556 0.055 0.000 0.269 201 H C 1.351 176.783 175.328 0.173 0.000 1.005 201 H CA 0.689 56.849 56.048 0.186 0.000 1.146 201 H CB 0.300 30.158 29.762 0.160 0.000 1.353 201 H HN 0.461 nan 8.280 nan 0.000 0.595 202 G N 1.682 110.671 108.800 0.315 0.000 2.176 202 G HA2 -0.258 3.737 3.960 0.058 0.000 0.252 202 G HA3 -0.258 3.737 3.960 0.058 0.000 0.252 202 G C 0.033 175.031 174.900 0.163 0.000 1.024 202 G CA -0.217 45.008 45.100 0.209 0.000 0.755 202 G HN 0.161 nan 8.290 nan 0.000 0.507 203 R N 0.696 121.359 120.500 0.271 0.000 2.346 203 R HA 0.376 4.751 4.340 0.058 0.000 0.311 203 R C 0.621 177.075 176.300 0.257 0.000 0.983 203 R CA -0.599 55.617 56.100 0.193 0.000 0.880 203 R CB 0.874 31.271 30.300 0.161 0.000 1.100 203 R HN 0.581 nan 8.270 nan 0.000 0.453 204 E N 1.875 122.169 120.200 0.157 0.000 2.418 204 E HA 0.105 4.490 4.350 0.058 0.000 0.261 204 E C -0.311 176.389 176.600 0.165 0.000 1.070 204 E CA -0.156 56.354 56.400 0.184 0.000 0.931 204 E CB 0.704 30.455 29.700 0.084 0.000 0.954 204 E HN 0.092 nan 8.360 nan 0.000 0.439 205 L N 2.690 124.016 121.223 0.172 0.000 2.464 205 L HA 0.349 4.724 4.340 0.058 0.000 0.266 205 L C -1.915 174.972 176.870 0.028 0.000 0.965 205 L CA -0.815 54.068 54.840 0.072 0.000 0.833 205 L CB 1.875 43.956 42.059 0.036 0.000 1.296 205 L HN 0.415 nan 8.230 nan 0.000 0.405 206 L N 5.035 126.254 121.223 -0.008 0.000 2.298 206 L HA 0.932 5.307 4.340 0.058 0.000 0.284 206 L C -0.784 175.993 176.870 -0.154 0.000 1.013 206 L CA -0.138 54.687 54.840 -0.026 0.000 0.824 206 L CB 1.211 43.328 42.059 0.095 0.000 1.221 206 L HN 0.789 nan 8.230 nan 0.000 0.418 207 A N 3.580 126.186 122.820 -0.356 0.000 2.318 207 A HA 0.859 5.214 4.320 0.058 0.000 0.317 207 A C -0.717 176.733 177.584 -0.223 0.000 1.159 207 A CA -0.447 51.330 52.037 -0.433 0.000 0.799 207 A CB 1.015 19.431 19.000 -0.974 0.000 1.194 207 A HN 0.670 nan 8.150 nan 0.000 0.479 208 S N 0.511 116.149 115.700 -0.103 0.000 2.532 208 S HA 0.863 5.368 4.470 0.058 0.000 0.299 208 S C -0.442 174.166 174.600 0.012 0.000 1.105 208 S CA -0.087 58.120 58.200 0.012 0.000 1.018 208 S CB 1.646 64.901 63.200 0.091 0.000 1.021 208 S HN 1.784 nan 8.310 nan 0.000 0.483 209 A N 3.699 126.557 122.820 0.063 0.000 2.577 209 A HA 0.822 5.177 4.320 0.058 0.000 0.297 209 A C -3.314 174.310 177.584 0.066 0.000 1.060 209 A CA -1.613 50.456 52.037 0.054 0.000 0.697 209 A CB 0.847 19.877 19.000 0.049 0.000 1.281 209 A HN 0.483 nan 8.150 nan 0.000 0.402 210 P HA 0.199 nan 4.420 nan 0.000 0.269 210 P C 0.212 177.538 177.300 0.042 0.000 1.217 210 P CA 0.333 63.461 63.100 0.046 0.000 0.783 210 P CB 0.166 31.887 31.700 0.035 0.000 0.898 211 T N 1.329 115.905 114.554 0.038 0.000 2.903 211 T HA 0.246 4.631 4.350 0.058 0.000 0.299 211 T C 1.369 176.078 174.700 0.015 0.000 1.041 211 T CA 1.720 63.836 62.100 0.027 0.000 1.138 211 T CB -0.709 68.172 68.868 0.022 0.000 1.040 211 T HN 0.864 nan 8.240 nan 0.000 0.524 212 G N 2.166 110.968 108.800 0.003 0.000 2.157 212 G HA2 -0.280 3.715 3.960 0.058 0.000 0.239 212 G HA3 -0.280 3.715 3.960 0.058 0.000 0.239 212 G C 0.981 175.869 174.900 -0.020 0.000 0.982 212 G CA 0.256 45.351 45.100 -0.008 0.000 0.650 212 G HN 0.689 nan 8.290 nan 0.000 0.527 213 S N -0.299 115.392 115.700 -0.015 0.000 2.548 213 S HA 0.414 4.919 4.470 0.058 0.000 0.215 213 S C 1.893 176.457 174.600 -0.060 0.000 0.976 213 S CA 1.218 59.405 58.200 -0.023 0.000 0.908 213 S CB 0.239 63.443 63.200 0.008 0.000 0.781 213 S HN 2.198 nan 8.310 nan 0.000 0.519 214 G N 2.137 110.881 108.800 -0.094 0.000 2.204 214 G HA2 -0.242 3.753 3.960 0.058 0.000 0.244 214 G HA3 -0.242 3.753 3.960 0.058 0.000 0.244 214 G C 0.565 175.360 174.900 -0.177 0.000 1.062 214 G CA 0.276 45.271 45.100 -0.175 0.000 0.798 214 G HN 0.444 nan 8.290 nan 0.000 0.496 215 K N -0.630 119.705 120.400 -0.108 0.000 2.211 215 K HA -0.042 4.313 4.320 0.058 0.000 0.203 215 K C 2.571 178.861 176.600 -0.516 0.000 1.050 215 K CA 1.544 57.781 56.287 -0.084 0.000 0.945 215 K CB -0.143 32.460 32.500 0.172 0.000 0.732 215 K HN 0.423 nan 8.250 nan 0.000 0.451 216 T N 1.872 116.085 114.554 -0.569 0.000 2.684 216 T HA -0.146 4.239 4.350 0.058 0.000 0.267 216 T C 1.731 175.740 174.700 -1.151 0.000 1.036 216 T CA 1.028 62.490 62.100 -1.064 0.000 1.148 216 T CB -0.158 68.390 68.868 -0.534 0.000 0.863 216 T HN 0.039 nan 8.240 nan 0.000 0.436 217 L N 0.946 121.779 121.223 -0.650 0.000 2.156 217 L HA 0.200 4.575 4.340 0.058 0.000 0.208 217 L C 2.659 179.276 176.870 -0.421 0.000 1.095 217 L CA 1.094 55.638 54.840 -0.495 0.000 0.770 217 L CB -0.898 40.922 42.059 -0.398 0.000 0.914 217 L HN 0.242 nan 8.230 nan 0.000 0.439 218 A N -0.115 122.479 122.820 -0.376 0.000 1.948 218 A HA -0.262 4.093 4.320 0.058 0.000 0.220 218 A C 2.001 179.482 177.584 -0.171 0.000 1.177 218 A CA 2.264 54.200 52.037 -0.168 0.000 0.636 218 A CB -0.995 18.040 19.000 0.059 0.000 0.815 218 A HN 0.592 nan 8.150 nan 0.000 0.449 219 F N -2.113 117.585 119.950 -0.420 0.000 2.656 219 F HA 0.300 4.861 4.527 0.056 0.000 0.291 219 F C 1.970 177.549 175.800 -0.368 0.000 1.122 219 F CA 0.676 58.398 58.000 -0.464 0.000 1.427 219 F CB -0.592 37.959 39.000 -0.748 0.000 1.125 219 F HN 0.004 nan 8.300 nan 0.000 0.583 220 S N 1.427 116.878 115.700 -0.414 0.000 2.377 220 S HA 0.054 4.559 4.470 0.058 0.000 0.223 220 S C 2.078 176.544 174.600 -0.223 0.000 1.030 220 S CA 1.039 59.084 58.200 -0.257 0.000 0.970 220 S CB -0.388 62.599 63.200 -0.355 0.000 0.830 220 S HN 0.375 nan 8.310 nan 0.000 0.473 221 I N 2.322 122.755 120.570 -0.230 0.000 2.142 221 I HA -0.130 4.075 4.170 0.058 0.000 0.240 221 I C -0.866 175.151 176.117 -0.167 0.000 1.078 221 I CA 1.214 62.405 61.300 -0.181 0.000 1.343 221 I CB -1.320 36.593 38.000 -0.144 0.000 1.046 221 I HN 0.213 nan 8.210 nan 0.000 0.405 222 P HA -0.122 nan 4.420 nan 0.000 0.217 222 P C 1.909 179.094 177.300 -0.191 0.000 1.151 222 P CA 1.567 64.552 63.100 -0.193 0.000 0.828 222 P CB -0.044 31.504 31.700 -0.253 0.000 0.788 223 I N -0.691 119.732 120.570 -0.246 0.000 2.127 223 I HA -0.245 3.960 4.170 0.058 0.000 0.241 223 I C 2.560 178.592 176.117 -0.142 0.000 1.075 223 I CA 1.413 62.619 61.300 -0.157 0.000 1.334 223 I CB -0.731 37.194 38.000 -0.125 0.000 1.040 223 I HN -0.156 nan 8.210 nan 0.000 0.405 224 L N -0.385 120.689 121.223 -0.249 0.000 2.042 224 L HA -0.266 4.109 4.340 0.058 0.000 0.210 224 L C 2.666 179.434 176.870 -0.168 0.000 1.076 224 L CA 1.541 56.138 54.840 -0.405 0.000 0.749 224 L CB -0.479 41.347 42.059 -0.388 0.000 0.893 224 L HN 0.288 nan 8.230 nan 0.000 0.432 225 M N -0.985 118.567 119.600 -0.080 0.000 2.117 225 M HA -0.262 4.253 4.480 0.058 0.000 0.262 225 M C 2.406 178.747 176.300 0.069 0.000 1.065 225 M CA 1.749 57.053 55.300 0.007 0.000 1.114 225 M CB -0.391 32.194 32.600 -0.025 0.000 1.361 225 M HN 0.269 nan 8.290 nan 0.000 0.408 226 Q N 0.883 120.729 119.800 0.077 0.000 2.084 226 Q HA -0.143 4.232 4.340 0.058 0.000 0.202 226 Q C 1.902 178.001 176.000 0.166 0.000 0.978 226 Q CA 1.297 57.191 55.803 0.151 0.000 0.844 226 Q CB -0.052 28.846 28.738 0.267 0.000 0.898 226 Q HN 0.526 nan 8.270 nan 0.000 0.426 227 L N -0.188 121.137 121.223 0.170 0.000 2.275 227 L HA -0.129 4.245 4.340 0.058 0.000 0.215 227 L C 1.284 178.353 176.870 0.332 0.000 1.119 227 L CA 1.181 56.174 54.840 0.255 0.000 0.790 227 L CB -0.264 41.968 42.059 0.289 0.000 0.919 227 L HN 0.318 nan 8.230 nan 0.000 0.443 228 K N -1.083 119.511 120.400 0.323 0.000 8.623 228 K HA -0.285 4.070 4.320 0.058 0.000 0.494 228 K C 0.349 177.128 176.600 0.298 0.000 0.366 228 K CA 2.022 58.472 56.287 0.271 0.000 1.954 228 K CB -0.757 31.837 32.500 0.157 0.000 0.699 228 K HN 0.358 nan 8.250 nan 0.000 0.968 229 Q N 0.055 119.960 119.800 0.174 0.000 2.416 229 Q HA 0.391 4.765 4.340 0.058 0.000 0.281 229 Q C -2.832 172.885 176.000 -0.471 0.000 1.067 229 Q CA -2.253 53.426 55.803 -0.206 0.000 0.809 229 Q CB 2.776 31.449 28.738 -0.109 0.000 1.418 229 Q HN -0.043 nan 8.270 nan 0.000 0.411 230 P HA 0.109 nan 4.420 nan 0.000 0.266 230 P C -1.340 175.831 177.300 -0.215 0.000 1.193 230 P CA 0.329 63.090 63.100 -0.566 0.000 0.770 230 P CB 0.570 32.001 31.700 -0.449 0.000 0.836 231 A N 1.063 123.821 122.820 -0.102 0.000 2.593 231 A HA 0.659 5.014 4.320 0.058 0.000 0.290 231 A C 0.256 177.775 177.584 -0.107 0.000 1.126 231 A CA -0.198 51.794 52.037 -0.076 0.000 0.695 231 A CB 0.301 19.285 19.000 -0.027 0.000 1.290 231 A HN 0.411 nan 8.150 nan 0.000 0.414 232 N N 0.077 118.704 118.700 -0.120 0.000 2.453 232 N HA 0.322 5.097 4.740 0.058 0.000 0.270 232 N C 0.203 175.590 175.510 -0.204 0.000 1.195 232 N CA -0.087 52.854 53.050 -0.183 0.000 0.902 232 N CB 0.130 38.537 38.487 -0.133 0.000 1.186 232 N HN 0.381 nan 8.380 nan 0.000 0.510 233 K N 0.169 120.459 120.400 -0.184 0.000 2.372 233 K HA 0.390 4.745 4.320 0.058 0.000 0.200 233 K C 1.170 177.662 176.600 -0.180 0.000 1.022 233 K CA 0.068 56.278 56.287 -0.130 0.000 1.125 233 K CB 0.018 32.493 32.500 -0.042 0.000 0.855 233 K HN 0.727 nan 8.250 nan 0.000 0.524 234 G N 0.639 109.181 108.800 -0.431 0.000 2.782 234 G HA2 -0.263 3.732 3.960 0.058 0.000 0.228 234 G HA3 -0.263 3.732 3.960 0.058 0.000 0.228 234 G C -0.604 174.219 174.900 -0.128 0.000 1.372 234 G CA -0.874 43.914 45.100 -0.521 0.000 0.862 234 G HN 0.055 nan 8.290 nan 0.000 0.547 235 F N 0.633 120.787 119.950 0.340 0.000 2.578 235 F HA 0.371 4.933 4.527 0.057 0.000 0.381 235 F C 2.044 177.954 175.800 0.183 0.000 1.069 235 F CA 0.507 58.689 58.000 0.304 0.000 1.231 235 F CB 0.817 39.986 39.000 0.281 0.000 1.086 235 F HN 0.417 nan 8.300 nan 0.000 0.564 236 R N 1.679 122.398 120.500 0.366 0.000 2.397 236 R HA 0.551 4.926 4.340 0.058 0.000 0.241 236 R C -0.295 176.151 176.300 0.242 0.000 0.914 236 R CA -0.006 56.241 56.100 0.245 0.000 1.071 236 R CB 0.531 30.953 30.300 0.203 0.000 1.116 236 R HN 0.620 nan 8.270 nan 0.000 0.524 237 A N 0.912 123.896 122.820 0.274 0.000 2.574 237 A HA 0.592 4.947 4.320 0.058 0.000 0.297 237 A C -2.081 175.591 177.584 0.146 0.000 1.062 237 A CA -0.626 51.545 52.037 0.223 0.000 0.686 237 A CB 1.724 20.852 19.000 0.213 0.000 1.285 237 A HN 0.061 nan 8.150 nan 0.000 0.403 238 L N 1.859 123.138 121.223 0.093 0.000 2.476 238 L HA 0.787 5.162 4.340 0.058 0.000 0.269 238 L C -1.726 175.128 176.870 -0.027 0.000 0.965 238 L CA -0.197 54.639 54.840 -0.006 0.000 0.845 238 L CB 1.304 43.370 42.059 0.011 0.000 1.259 238 L HN 0.601 nan 8.230 nan 0.000 0.403 239 I N 5.988 126.506 120.570 -0.088 0.000 2.406 239 I HA 0.474 4.679 4.170 0.058 0.000 0.290 239 I C -0.607 175.434 176.117 -0.128 0.000 0.999 239 I CA -0.349 60.860 61.300 -0.151 0.000 1.124 239 I CB 1.852 39.752 38.000 -0.165 0.000 1.289 239 I HN 0.499 nan 8.210 nan 0.000 0.441 240 I N 5.211 125.712 120.570 -0.115 0.000 2.354 240 I HA 0.407 4.612 4.170 0.058 0.000 0.292 240 I C 0.012 176.068 176.117 -0.101 0.000 0.989 240 I CA -0.065 61.188 61.300 -0.077 0.000 1.188 240 I CB 1.827 39.827 38.000 -0.001 0.000 1.342 240 I HN 0.519 nan 8.210 nan 0.000 0.457 241 S N 6.415 122.055 115.700 -0.100 0.000 2.599 241 S HA 0.569 5.074 4.470 0.058 0.000 0.287 241 S C -2.243 172.283 174.600 -0.123 0.000 1.105 241 S CA -1.587 56.552 58.200 -0.102 0.000 0.899 241 S CB 1.934 65.095 63.200 -0.065 0.000 1.100 241 S HN 0.262 nan 8.310 nan 0.000 0.482 242 P HA 0.076 nan 4.420 nan 0.000 0.217 242 P C 0.338 177.569 177.300 -0.115 0.000 1.150 242 P CA 1.175 64.177 63.100 -0.163 0.000 0.832 242 P CB -0.083 31.523 31.700 -0.157 0.000 0.787 243 T N -5.532 108.971 114.554 -0.086 0.000 2.896 243 T HA 0.408 4.793 4.350 0.058 0.000 0.297 243 T C 0.829 175.494 174.700 -0.058 0.000 1.108 243 T CA -1.008 61.051 62.100 -0.068 0.000 1.004 243 T CB 2.141 70.977 68.868 -0.053 0.000 1.159 243 T HN -0.186 nan 8.240 nan 0.000 0.499 244 R N 0.527 120.995 120.500 -0.053 0.000 2.113 244 R HA -0.213 4.162 4.340 0.058 0.000 0.244 244 R C 1.731 178.021 176.300 -0.018 0.000 1.142 244 R CA 2.525 58.600 56.100 -0.041 0.000 0.953 244 R CB -0.470 29.818 30.300 -0.020 0.000 0.860 244 R HN 0.835 nan 8.270 nan 0.000 0.438 245 E N 0.583 120.775 120.200 -0.013 0.000 2.038 245 E HA -0.209 4.176 4.350 0.058 0.000 0.195 245 E C 2.052 178.652 176.600 0.000 0.000 1.000 245 E CA 1.764 58.163 56.400 -0.002 0.000 0.803 245 E CB -0.325 29.371 29.700 -0.006 0.000 0.750 245 E HN 0.359 nan 8.360 nan 0.000 0.448 246 L N 0.313 121.530 121.223 -0.010 0.000 2.093 246 L HA -0.115 4.260 4.340 0.058 0.000 0.208 246 L C 2.467 179.340 176.870 0.005 0.000 1.085 246 L CA 0.954 55.792 54.840 -0.004 0.000 0.755 246 L CB -0.578 41.472 42.059 -0.015 0.000 0.904 246 L HN 0.172 nan 8.230 nan 0.000 0.435 247 A N 0.458 123.270 122.820 -0.013 0.000 1.883 247 A HA -0.258 4.097 4.320 0.058 0.000 0.217 247 A C 2.572 180.171 177.584 0.026 0.000 1.186 247 A CA 2.215 54.243 52.037 -0.013 0.000 0.624 247 A CB -0.831 18.130 19.000 -0.065 0.000 0.822 247 A HN 0.520 nan 8.150 nan 0.000 0.444 248 S N -0.369 115.346 115.700 0.025 0.000 2.383 248 S HA -0.288 4.217 4.470 0.058 0.000 0.229 248 S C 1.975 176.636 174.600 0.102 0.000 1.030 248 S CA 1.620 59.862 58.200 0.071 0.000 1.002 248 S CB -0.635 62.603 63.200 0.063 0.000 0.829 248 S HN 0.685 nan 8.310 nan 0.000 0.467 249 Q N 0.655 120.491 119.800 0.060 0.000 2.084 249 Q HA 0.039 4.414 4.340 0.058 0.000 0.202 249 Q C 2.297 178.322 176.000 0.042 0.000 0.978 249 Q CA 1.701 57.531 55.803 0.045 0.000 0.844 249 Q CB -0.459 28.292 28.738 0.023 0.000 0.898 249 Q HN 0.626 nan 8.270 nan 0.000 0.426 250 I N 0.139 120.743 120.570 0.056 0.000 2.226 250 I HA -0.325 3.880 4.170 0.058 0.000 0.245 250 I C 2.590 178.749 176.117 0.070 0.000 1.100 250 I CA 1.253 62.589 61.300 0.060 0.000 1.374 250 I CB -0.471 37.603 38.000 0.122 0.000 1.057 250 I HN 0.369 nan 8.210 nan 0.000 0.413 251 H N 1.835 120.907 119.070 0.004 0.000 2.319 251 H HA -0.149 4.442 4.556 0.058 0.000 0.299 251 H C 2.418 177.747 175.328 0.001 0.000 1.092 251 H CA 1.710 57.760 56.048 0.003 0.000 1.302 251 H CB 0.140 29.907 29.762 0.009 0.000 1.373 251 H HN 0.262 nan 8.280 nan 0.000 0.497 252 R N 0.146 120.646 120.500 0.000 0.000 2.081 252 R HA -0.145 4.230 4.340 0.058 0.000 0.235 252 R C 2.450 178.704 176.300 -0.077 0.000 1.131 252 R CA 1.467 57.534 56.100 -0.056 0.000 0.960 252 R CB -0.180 30.132 30.300 0.020 0.000 0.856 252 R HN 0.392 nan 8.270 nan 0.000 0.436 253 E N 1.162 121.330 120.200 -0.053 0.000 2.077 253 E HA -0.159 4.226 4.350 0.058 0.000 0.193 253 E C 1.888 178.434 176.600 -0.089 0.000 0.989 253 E CA 1.042 57.407 56.400 -0.058 0.000 0.800 253 E CB -0.142 29.512 29.700 -0.076 0.000 0.746 253 E HN 0.220 nan 8.360 nan 0.000 0.452 254 L N 0.165 121.320 121.223 -0.114 0.000 2.046 254 L HA -0.183 4.192 4.340 0.058 0.000 0.208 254 L C 2.281 179.073 176.870 -0.131 0.000 1.077 254 L CA 0.592 55.357 54.840 -0.125 0.000 0.747 254 L CB -0.364 41.629 42.059 -0.109 0.000 0.896 254 L HN 0.303 nan 8.230 nan 0.000 0.432 255 I N 0.042 120.499 120.570 -0.189 0.000 2.163 255 I HA -0.326 3.879 4.170 0.058 0.000 0.243 255 I C 2.543 178.606 176.117 -0.090 0.000 1.085 255 I CA 1.583 62.784 61.300 -0.166 0.000 1.347 255 I CB -1.014 36.853 38.000 -0.223 0.000 1.044 255 I HN 0.330 nan 8.210 nan 0.000 0.408 256 K N 0.466 120.817 120.400 -0.082 0.000 2.025 256 K HA -0.166 4.189 4.320 0.058 0.000 0.207 256 K C 2.128 178.695 176.600 -0.056 0.000 1.049 256 K CA 1.215 57.466 56.287 -0.059 0.000 0.933 256 K CB -0.148 32.322 32.500 -0.049 0.000 0.714 256 K HN 0.060 nan 8.250 nan 0.000 0.438 257 I N 1.236 121.773 120.570 -0.055 0.000 2.614 257 I HA -0.173 4.032 4.170 0.058 0.000 0.258 257 I C 1.677 177.764 176.117 -0.051 0.000 1.189 257 I CA 1.155 62.422 61.300 -0.055 0.000 1.462 257 I CB 0.007 37.973 38.000 -0.057 0.000 1.092 257 I HN 0.160 nan 8.210 nan 0.000 0.442 258 S N -1.490 114.187 115.700 -0.037 0.000 2.557 258 S HA 0.214 4.719 4.470 0.058 0.000 0.223 258 S C 0.576 175.200 174.600 0.039 0.000 0.969 258 S CA -0.590 57.618 58.200 0.014 0.000 0.927 258 S CB -0.590 62.629 63.200 0.032 0.000 0.806 258 S HN 0.356 nan 8.310 nan 0.000 0.489 259 E N 1.291 121.492 120.200 0.002 0.000 2.608 259 E HA 0.285 4.670 4.350 0.058 0.000 0.259 259 E C 1.166 177.775 176.600 0.015 0.000 0.951 259 E CA 0.876 57.278 56.400 0.003 0.000 0.945 259 E CB -0.009 29.681 29.700 -0.018 0.000 0.916 259 E HN 0.602 nan 8.360 nan 0.000 0.477 260 G N 2.676 111.487 108.800 0.019 0.000 2.184 260 G HA2 -0.374 3.621 3.960 0.058 0.000 0.264 260 G HA3 -0.374 3.621 3.960 0.058 0.000 0.264 260 G C 0.972 175.888 174.900 0.026 0.000 0.975 260 G CA 0.846 45.955 45.100 0.015 0.000 0.642 260 G HN 0.663 nan 8.290 nan 0.000 0.536 261 T N -2.594 111.995 114.554 0.059 0.000 3.065 261 T HA 0.434 4.818 4.350 0.058 0.000 0.252 261 T C 2.462 177.154 174.700 -0.013 0.000 1.099 261 T CA 1.686 63.833 62.100 0.079 0.000 1.063 261 T CB 0.279 69.294 68.868 0.246 0.000 0.948 261 T HN 2.186 nan 8.240 nan 0.000 0.506 262 G N 0.861 109.661 108.800 -0.000 0.000 2.179 262 G HA2 -0.223 3.772 3.960 0.058 0.000 0.260 262 G HA3 -0.223 3.772 3.960 0.058 0.000 0.260 262 G C -0.076 174.777 174.900 -0.078 0.000 0.977 262 G CA -0.081 44.984 45.100 -0.059 0.000 0.641 262 G HN 0.554 nan 8.290 nan 0.000 0.533 263 F N 1.045 121.013 119.950 0.029 0.000 2.529 263 F HA 0.509 5.072 4.527 0.059 0.000 0.365 263 F C 1.425 177.256 175.800 0.053 0.000 1.102 263 F CA 0.167 58.197 58.000 0.050 0.000 1.271 263 F CB 0.608 39.636 39.000 0.046 0.000 1.120 263 F HN -0.017 nan 8.300 nan 0.000 0.579 264 R N 4.181 124.856 120.500 0.291 0.000 2.265 264 R HA 0.583 4.958 4.340 0.058 0.000 0.328 264 R C -1.209 175.224 176.300 0.222 0.000 0.969 264 R CA -0.378 55.846 56.100 0.207 0.000 0.832 264 R CB 0.906 31.402 30.300 0.328 0.000 1.139 264 R HN 0.521 nan 8.270 nan 0.000 0.457 265 I N 2.870 123.443 120.570 0.005 0.000 2.465 265 I HA 0.375 4.580 4.170 0.058 0.000 0.291 265 I C -0.135 176.012 176.117 0.050 0.000 1.014 265 I CA -0.655 60.710 61.300 0.109 0.000 1.093 265 I CB 1.498 39.522 38.000 0.039 0.000 1.267 265 I HN 0.452 nan 8.210 nan 0.000 0.431 266 H N 6.047 125.339 119.070 0.371 0.000 2.821 266 H HA 0.607 5.198 4.556 0.058 0.000 0.373 266 H C -1.013 174.223 175.328 -0.154 0.000 1.165 266 H CA -0.775 55.383 56.048 0.184 0.000 1.154 266 H CB 2.472 32.308 29.762 0.122 0.000 1.765 266 H HN 0.365 nan 8.280 nan 0.000 0.549 267 M N 2.116 121.584 119.600 -0.221 0.000 2.508 267 M HA 0.416 4.931 4.480 0.058 0.000 0.327 267 M C -0.217 175.866 176.300 -0.363 0.000 1.160 267 M CA -0.749 54.320 55.300 -0.385 0.000 0.980 267 M CB 2.102 34.387 32.600 -0.526 0.000 1.693 267 M HN 0.297 nan 8.290 nan 0.000 0.452 268 I N 2.773 123.080 120.570 -0.439 0.000 2.307 268 I HA 0.239 4.444 4.170 0.058 0.000 0.287 268 I C 0.078 176.041 176.117 -0.257 0.000 1.054 268 I CA -0.492 60.631 61.300 -0.295 0.000 1.218 268 I CB 0.209 38.026 38.000 -0.305 0.000 1.398 268 I HN 0.549 nan 8.210 nan 0.000 0.475 269 H N 5.064 124.130 119.070 -0.007 0.000 2.505 269 H HA 0.283 4.874 4.556 0.058 0.000 0.358 269 H C 0.810 176.138 175.328 0.000 0.000 1.304 269 H CA -0.397 55.642 56.048 -0.015 0.000 1.393 269 H CB 1.333 31.092 29.762 -0.005 0.000 1.591 269 H HN 0.463 nan 8.280 nan 0.000 0.595 270 K N 0.837 121.308 120.400 0.118 0.000 2.034 270 K HA -0.201 4.154 4.320 0.058 0.000 0.214 270 K C 2.046 178.681 176.600 0.059 0.000 1.051 270 K CA 1.773 58.085 56.287 0.041 0.000 0.931 270 K CB -0.206 32.301 32.500 0.012 0.000 0.715 270 K HN 0.595 nan 8.250 nan 0.000 0.446 271 A N 1.132 123.995 122.820 0.072 0.000 1.933 271 A HA -0.107 4.248 4.320 0.058 0.000 0.218 271 A C 2.315 179.944 177.584 0.076 0.000 1.175 271 A CA 1.821 53.894 52.037 0.059 0.000 0.628 271 A CB -0.612 18.414 19.000 0.043 0.000 0.814 271 A HN 0.384 nan 8.150 nan 0.000 0.444 272 A N -0.493 122.398 122.820 0.119 0.000 1.933 272 A HA 0.028 4.383 4.320 0.058 0.000 0.218 272 A C 2.209 179.876 177.584 0.138 0.000 1.175 272 A CA 1.723 53.846 52.037 0.144 0.000 0.628 272 A CB -0.828 18.342 19.000 0.282 0.000 0.814 272 A HN 0.372 nan 8.150 nan 0.000 0.444 273 V N -0.068 119.923 119.914 0.127 0.000 2.261 273 V HA -0.251 3.904 4.120 0.058 0.000 0.246 273 V C 3.073 179.234 176.094 0.112 0.000 1.047 273 V CA 1.933 64.311 62.300 0.129 0.000 1.015 273 V CB -1.411 30.484 31.823 0.120 0.000 0.642 273 V HN 0.606 nan 8.190 nan 0.000 0.446 274 A N 0.207 123.079 122.820 0.087 0.000 1.892 274 A HA -0.192 4.163 4.320 0.058 0.000 0.218 274 A C 2.304 179.919 177.584 0.052 0.000 1.188 274 A CA 2.396 54.474 52.037 0.069 0.000 0.631 274 A CB -0.823 18.207 19.000 0.049 0.000 0.822 274 A HN 0.641 nan 8.150 nan 0.000 0.447 275 A N -2.233 120.613 122.820 0.043 0.000 2.167 275 A HA 0.176 4.531 4.320 0.058 0.000 0.214 275 A C 1.079 178.668 177.584 0.009 0.000 1.151 275 A CA 1.058 53.105 52.037 0.017 0.000 0.735 275 A CB -0.188 18.811 19.000 -0.001 0.000 0.802 275 A HN 0.388 nan 8.150 nan 0.000 0.467 276 K N -1.135 119.286 120.400 0.035 0.000 3.129 276 K HA -0.209 4.146 4.320 0.058 0.000 0.273 276 K C 0.792 177.378 176.600 -0.023 0.000 1.123 276 K CA 1.107 57.416 56.287 0.035 0.000 0.800 276 K CB -1.532 30.985 32.500 0.029 0.000 1.238 276 K HN 0.716 nan 8.250 nan 0.000 0.492 277 K N -0.058 120.286 120.400 -0.094 0.000 2.209 277 K HA -0.072 4.283 4.320 0.058 0.000 0.204 277 K C 0.936 177.173 176.600 -0.604 0.000 1.048 277 K CA 1.309 57.383 56.287 -0.355 0.000 0.940 277 K CB 0.013 32.212 32.500 -0.502 0.000 0.729 277 K HN 0.203 nan 8.250 nan 0.000 0.451 278 F N 0.131 119.976 119.950 -0.174 0.000 2.668 278 F HA 0.275 4.837 4.527 0.059 0.000 0.301 278 F C 1.051 176.821 175.800 -0.050 0.000 1.106 278 F CA -0.630 57.159 58.000 -0.353 0.000 1.289 278 F CB 0.395 39.100 39.000 -0.491 0.000 1.006 278 F HN -0.113 nan 8.300 nan 0.000 0.535 279 G N 1.337 110.211 108.800 0.123 0.000 2.630 279 G HA2 0.094 4.089 3.960 0.058 0.000 0.236 279 G HA3 0.094 4.089 3.960 0.058 0.000 0.236 279 G C -1.595 173.406 174.900 0.168 0.000 1.248 279 G CA -0.740 44.440 45.100 0.134 0.000 0.844 279 G HN 0.027 nan 8.290 nan 0.000 0.588 280 P HA -0.035 nan 4.420 nan 0.000 0.217 280 P C 1.615 178.967 177.300 0.085 0.000 1.148 280 P CA 2.406 65.576 63.100 0.118 0.000 0.828 280 P CB 0.145 31.898 31.700 0.087 0.000 0.783 281 K N -0.213 120.227 120.400 0.068 0.000 2.520 281 K HA 0.283 4.638 4.320 0.058 0.000 0.205 281 K C 0.886 177.511 176.600 0.042 0.000 1.035 281 K CA 0.257 56.571 56.287 0.044 0.000 1.188 281 K CB -1.091 31.427 32.500 0.030 0.000 0.894 281 K HN 0.389 nan 8.250 nan 0.000 0.497 282 S N -1.069 114.675 115.700 0.072 0.000 2.690 282 S HA 0.259 4.764 4.470 0.058 0.000 0.285 282 S C 1.727 176.357 174.600 0.051 0.000 1.135 282 S CA 0.316 58.556 58.200 0.067 0.000 1.020 282 S CB 1.224 64.493 63.200 0.114 0.000 1.159 282 S HN 0.698 nan 8.310 nan 0.000 0.534 283 S N 0.360 116.086 115.700 0.043 0.000 2.399 283 S HA -0.122 4.383 4.470 0.058 0.000 0.231 283 S C 0.771 175.295 174.600 -0.128 0.000 1.022 283 S CA 1.176 59.365 58.200 -0.018 0.000 0.983 283 S CB -1.079 62.117 63.200 -0.006 0.000 0.803 283 S HN 0.844 nan 8.310 nan 0.000 0.480 284 K N -0.233 120.026 120.400 -0.236 0.000 3.446 284 K HA -0.129 4.226 4.320 0.058 0.000 0.312 284 K C -0.810 175.152 176.600 -1.063 0.000 1.329 284 K CA 1.145 56.881 56.287 -0.918 0.000 0.935 284 K CB -1.697 30.531 32.500 -0.453 0.000 1.281 284 K HN 0.515 nan 8.250 nan 0.000 0.457 285 K N 1.142 121.198 120.400 -0.574 0.000 2.307 285 K HA 0.196 4.551 4.320 0.058 0.000 0.240 285 K C -0.387 176.174 176.600 -0.065 0.000 1.214 285 K CA 0.293 56.417 56.287 -0.271 0.000 1.149 285 K CB -0.504 31.961 32.500 -0.058 0.000 1.668 285 K HN 0.160 nan 8.250 nan 0.000 0.314 286 F N -2.167 117.761 119.950 -0.036 0.000 2.641 286 F HA 0.384 4.946 4.527 0.058 0.000 0.308 286 F C 0.026 175.821 175.800 -0.009 0.000 1.105 286 F CA -1.121 56.901 58.000 0.037 0.000 0.964 286 F CB 1.136 40.063 39.000 -0.122 0.000 1.294 286 F HN -0.122 nan 8.300 nan 0.000 0.442 287 D N 1.089 121.755 120.400 0.443 0.000 2.766 287 D HA 0.329 5.004 4.640 0.058 0.000 0.284 287 D C 0.069 176.734 176.300 0.609 0.000 1.050 287 D CA 0.986 55.249 54.000 0.440 0.000 0.945 287 D CB 1.519 42.636 40.800 0.528 0.000 1.272 287 D HN 0.359 nan 8.370 nan 0.000 0.482 288 I N 1.612 122.593 120.570 0.686 0.000 2.533 288 I HA 0.239 4.444 4.170 0.058 0.000 0.290 288 I C -1.359 174.955 176.117 0.328 0.000 1.056 288 I CA -0.901 60.670 61.300 0.453 0.000 1.057 288 I CB 3.039 41.176 38.000 0.227 0.000 1.240 288 I HN -0.167 nan 8.210 nan 0.000 0.423 289 L N 8.049 129.189 121.223 -0.138 0.000 2.313 289 L HA 0.629 5.004 4.340 0.058 0.000 0.283 289 L C -0.852 175.864 176.870 -0.256 0.000 1.013 289 L CA -0.387 54.121 54.840 -0.553 0.000 0.816 289 L CB 1.696 42.952 42.059 -1.338 0.000 1.236 289 L HN 0.308 nan 8.230 nan 0.000 0.419 290 V N 4.478 124.289 119.914 -0.171 0.000 2.435 290 V HA 0.805 4.960 4.120 0.058 0.000 0.290 290 V C 0.186 176.166 176.094 -0.189 0.000 1.030 290 V CA -0.247 61.982 62.300 -0.118 0.000 0.881 290 V CB 1.208 33.030 31.823 -0.002 0.000 0.983 290 V HN 0.926 nan 8.190 nan 0.000 0.445 291 T N 2.342 116.796 114.554 -0.166 0.000 2.711 291 T HA 0.581 4.966 4.350 0.058 0.000 0.302 291 T C -0.460 174.164 174.700 -0.127 0.000 1.373 291 T CA 0.168 62.161 62.100 -0.178 0.000 1.000 291 T CB 2.040 70.781 68.868 -0.211 0.000 1.483 291 T HN 0.928 nan 8.240 nan 0.000 0.499 292 T N 0.375 114.859 114.554 -0.117 0.000 2.944 292 T HA 0.598 4.983 4.350 0.058 0.000 0.284 292 T C -2.058 172.608 174.700 -0.057 0.000 1.010 292 T CA -1.675 60.372 62.100 -0.090 0.000 1.025 292 T CB 1.172 69.985 68.868 -0.090 0.000 1.079 292 T HN 0.312 nan 8.240 nan 0.000 0.516 293 P HA -0.057 nan 4.420 nan 0.000 0.215 293 P C 1.285 178.589 177.300 0.008 0.000 1.157 293 P CA 0.957 64.074 63.100 0.028 0.000 0.868 293 P CB -0.010 31.758 31.700 0.114 0.000 0.788 294 N N -0.803 117.894 118.700 -0.004 0.000 2.188 294 N HA -0.131 4.644 4.740 0.058 0.000 0.184 294 N C 1.825 177.351 175.510 0.027 0.000 1.018 294 N CA 0.906 53.962 53.050 0.010 0.000 0.858 294 N CB -0.671 37.811 38.487 -0.009 0.000 0.989 294 N HN -0.012 nan 8.380 nan 0.000 0.426 295 R N 1.115 121.606 120.500 -0.016 0.000 2.075 295 R HA 0.014 4.389 4.340 0.058 0.000 0.232 295 R C 1.935 178.251 176.300 0.025 0.000 1.126 295 R CA 0.844 56.933 56.100 -0.018 0.000 0.963 295 R CB -0.946 29.300 30.300 -0.091 0.000 0.858 295 R HN 0.214 nan 8.270 nan 0.000 0.435 296 L N 0.007 121.222 121.223 -0.013 0.000 2.093 296 L HA -0.003 4.372 4.340 0.058 0.000 0.208 296 L C 1.876 178.757 176.870 0.019 0.000 1.085 296 L CA 1.610 56.439 54.840 -0.017 0.000 0.755 296 L CB -0.330 41.703 42.059 -0.043 0.000 0.904 296 L HN 0.220 nan 8.230 nan 0.000 0.435 297 I N -1.335 119.253 120.570 0.030 0.000 2.353 297 I HA -0.275 3.930 4.170 0.058 0.000 0.248 297 I C 2.442 178.586 176.117 0.045 0.000 1.119 297 I CA 1.254 62.568 61.300 0.023 0.000 1.417 297 I CB -1.108 36.902 38.000 0.016 0.000 1.078 297 I HN 0.345 nan 8.210 nan 0.000 0.421 298 Y N 2.010 122.294 120.300 -0.025 0.000 2.114 298 Y HA -0.260 4.324 4.550 0.058 0.000 0.282 298 Y C 2.539 178.433 175.900 -0.009 0.000 1.165 298 Y CA 1.818 59.908 58.100 -0.017 0.000 1.148 298 Y CB -0.343 38.105 38.460 -0.020 0.000 0.972 298 Y HN 0.019 nan 8.280 nan 0.000 0.504 299 L N -0.665 120.622 121.223 0.107 0.000 2.017 299 L HA -0.271 4.104 4.340 0.058 0.000 0.208 299 L C 2.454 179.309 176.870 -0.025 0.000 1.073 299 L CA 1.355 56.219 54.840 0.041 0.000 0.745 299 L CB -0.732 41.367 42.059 0.067 0.000 0.894 299 L HN 0.275 nan 8.230 nan 0.000 0.432 300 L N -0.416 120.797 121.223 -0.016 0.000 2.131 300 L HA -0.187 4.188 4.340 0.058 0.000 0.210 300 L C 2.284 179.122 176.870 -0.052 0.000 1.092 300 L CA 0.962 55.792 54.840 -0.017 0.000 0.759 300 L CB -0.335 41.720 42.059 -0.006 0.000 0.903 300 L HN 0.213 nan 8.230 nan 0.000 0.435 301 K N -0.381 119.955 120.400 -0.107 0.000 2.367 301 K HA 0.137 4.492 4.320 0.058 0.000 0.194 301 K C 0.526 177.018 176.600 -0.180 0.000 1.027 301 K CA 0.142 56.350 56.287 -0.131 0.000 1.075 301 K CB 0.036 32.454 32.500 -0.137 0.000 0.845 301 K HN 0.389 nan 8.250 nan 0.000 0.529 302 Q N 0.966 120.629 119.800 -0.229 0.000 2.479 302 Q HA -0.043 4.332 4.340 0.058 0.000 0.267 302 Q C -0.407 175.534 176.000 -0.099 0.000 1.071 302 Q CA 0.539 56.220 55.803 -0.203 0.000 0.935 302 Q CB 0.394 29.031 28.738 -0.169 0.000 1.295 302 Q HN -0.060 nan 8.270 nan 0.000 0.476 303 D N 2.201 122.557 120.400 -0.074 0.000 2.461 303 D HA 0.305 4.980 4.640 0.058 0.000 0.240 303 D C -2.253 174.035 176.300 -0.021 0.000 1.094 303 D CA -1.667 52.310 54.000 -0.039 0.000 0.868 303 D CB 0.838 41.617 40.800 -0.035 0.000 1.062 303 D HN 0.220 nan 8.370 nan 0.000 0.530 304 P HA 0.501 nan 4.420 nan 0.000 0.281 304 P C -2.801 174.495 177.300 -0.006 0.000 1.281 304 P CA -1.791 61.306 63.100 -0.005 0.000 0.811 304 P CB -0.170 31.535 31.700 0.008 0.000 1.154 305 P HA 0.056 nan 4.420 nan 0.000 0.264 305 P C 1.005 178.324 177.300 0.032 0.000 1.193 305 P CA 0.467 63.571 63.100 0.007 0.000 0.763 305 P CB 0.005 31.719 31.700 0.023 0.000 0.810 306 G N 2.881 111.700 108.800 0.032 0.000 2.920 306 G HA2 0.138 4.133 3.960 0.058 0.000 0.208 306 G HA3 0.138 4.133 3.960 0.058 0.000 0.208 306 G C 0.294 175.261 174.900 0.112 0.000 1.159 306 G CA 0.298 45.440 45.100 0.071 0.000 0.784 306 G HN 0.518 nan 8.290 nan 0.000 0.535 307 I N -1.033 119.603 120.570 0.110 0.000 2.908 307 I HA 0.342 4.547 4.170 0.058 0.000 0.300 307 I C -2.244 173.965 176.117 0.153 0.000 1.385 307 I CA -1.069 60.329 61.300 0.163 0.000 1.004 307 I CB 2.842 40.929 38.000 0.146 0.000 1.309 307 I HN -0.102 nan 8.210 nan 0.000 0.449 308 D N 6.153 126.676 120.400 0.206 0.000 2.502 308 D HA 0.396 5.071 4.640 0.058 0.000 0.249 308 D C -0.477 175.941 176.300 0.196 0.000 1.092 308 D CA -0.283 53.817 54.000 0.167 0.000 0.839 308 D CB 1.722 42.613 40.800 0.151 0.000 1.264 308 D HN 0.496 nan 8.370 nan 0.000 0.511 309 L N 2.924 124.236 121.223 0.148 0.000 2.769 309 L HA 0.324 4.699 4.340 0.058 0.000 0.240 309 L C 1.958 178.898 176.870 0.117 0.000 1.163 309 L CA -0.148 54.780 54.840 0.147 0.000 0.962 309 L CB 0.216 42.343 42.059 0.114 0.000 1.258 309 L HN 0.469 nan 8.230 nan 0.000 0.513 310 A N -0.180 122.703 122.820 0.105 0.000 2.019 310 A HA -0.122 4.233 4.320 0.058 0.000 0.219 310 A C 2.163 179.790 177.584 0.073 0.000 1.164 310 A CA 1.714 53.798 52.037 0.079 0.000 0.644 310 A CB -0.142 18.900 19.000 0.070 0.000 0.805 310 A HN 0.374 nan 8.150 nan 0.000 0.449 311 S N -0.734 115.021 115.700 0.091 0.000 2.540 311 S HA 0.214 4.719 4.470 0.058 0.000 0.218 311 S C 0.276 174.924 174.600 0.080 0.000 0.977 311 S CA -0.362 57.883 58.200 0.075 0.000 0.918 311 S CB 0.210 63.456 63.200 0.077 0.000 0.806 311 S HN 0.199 nan 8.310 nan 0.000 0.496 312 V N 3.232 123.204 119.914 0.096 0.000 2.493 312 V HA 0.036 4.191 4.120 0.058 0.000 0.292 312 V C 1.025 177.128 176.094 0.015 0.000 1.016 312 V CA 0.676 63.036 62.300 0.101 0.000 1.097 312 V CB 0.430 32.319 31.823 0.110 0.000 0.947 312 V HN 0.470 nan 8.190 nan 0.000 0.479 313 E N 2.870 123.078 120.200 0.014 0.000 2.340 313 E HA 0.081 4.466 4.350 0.058 0.000 0.198 313 E C -0.354 176.085 176.600 -0.267 0.000 0.961 313 E CA 0.317 56.633 56.400 -0.140 0.000 0.905 313 E CB 0.584 30.227 29.700 -0.095 0.000 0.884 313 E HN 0.707 nan 8.360 nan 0.000 0.491 314 W N 1.290 122.602 121.300 0.020 0.000 2.683 314 W HA 0.410 5.103 4.660 0.055 0.000 0.329 314 W C -1.237 175.291 176.519 0.014 0.000 1.037 314 W CA -0.904 56.451 57.345 0.017 0.000 1.232 314 W CB 1.568 31.044 29.460 0.027 0.000 1.390 314 W HN -0.098 nan 8.180 nan 0.000 0.465 315 L N 5.731 127.142 121.223 0.313 0.000 2.316 315 L HA 0.705 5.080 4.340 0.058 0.000 0.280 315 L C -1.229 175.789 176.870 0.246 0.000 1.006 315 L CA -0.646 54.325 54.840 0.218 0.000 0.836 315 L CB 1.028 43.188 42.059 0.168 0.000 1.221 315 L HN 0.139 nan 8.230 nan 0.000 0.418 316 V N 5.851 125.826 119.914 0.102 0.000 2.417 316 V HA 0.504 4.659 4.120 0.058 0.000 0.291 316 V C -0.389 175.661 176.094 -0.075 0.000 1.024 316 V CA -0.689 61.593 62.300 -0.030 0.000 0.861 316 V CB 1.929 33.505 31.823 -0.411 0.000 0.985 316 V HN 0.476 nan 8.190 nan 0.000 0.436 317 V N 3.809 123.747 119.914 0.039 0.000 2.347 317 V HA 0.389 4.544 4.120 0.058 0.000 0.280 317 V C -0.332 175.771 176.094 0.015 0.000 1.021 317 V CA -0.453 61.872 62.300 0.042 0.000 0.847 317 V CB 1.615 33.535 31.823 0.163 0.000 0.990 317 V HN 0.907 nan 8.190 nan 0.000 0.444 318 D N 3.574 123.920 120.400 -0.091 0.000 2.175 318 D HA 0.318 4.993 4.640 0.058 0.000 0.248 318 D C 0.364 176.667 176.300 0.005 0.000 1.047 318 D CA -0.076 53.906 54.000 -0.030 0.000 0.883 318 D CB 0.966 41.709 40.800 -0.094 0.000 1.180 318 D HN 0.591 nan 8.370 nan 0.000 0.438 319 E N 1.798 122.042 120.200 0.073 0.000 2.252 319 E HA -0.180 4.205 4.350 0.058 0.000 0.218 319 E C 0.666 177.257 176.600 -0.015 0.000 1.253 319 E CA 0.544 56.963 56.400 0.032 0.000 0.705 319 E CB -1.805 27.885 29.700 -0.016 0.000 1.172 319 E HN 0.419 nan 8.360 nan 0.000 0.369 320 S N 0.382 116.124 115.700 0.070 0.000 2.383 320 S HA -0.222 4.283 4.470 0.058 0.000 0.229 320 S C 1.513 176.248 174.600 0.226 0.000 1.030 320 S CA 1.684 59.969 58.200 0.141 0.000 1.002 320 S CB -0.112 63.277 63.200 0.315 0.000 0.829 320 S HN 0.599 nan 8.310 nan 0.000 0.467 321 D N 1.876 122.369 120.400 0.154 0.000 2.123 321 D HA -0.173 4.502 4.640 0.058 0.000 0.196 321 D C 1.606 177.946 176.300 0.067 0.000 0.992 321 D CA 0.998 55.074 54.000 0.128 0.000 0.833 321 D CB -0.334 40.515 40.800 0.082 0.000 0.954 321 D HN 0.247 nan 8.370 nan 0.000 0.455 322 K N 0.853 121.247 120.400 -0.011 0.000 2.002 322 K HA -0.005 4.350 4.320 0.058 0.000 0.209 322 K C 2.691 179.188 176.600 -0.171 0.000 1.048 322 K CA 0.361 56.605 56.287 -0.072 0.000 0.930 322 K CB -0.910 31.539 32.500 -0.086 0.000 0.714 322 K HN 0.291 nan 8.250 nan 0.000 0.438 323 L N -0.086 120.924 121.223 -0.355 0.000 2.043 323 L HA -0.164 4.211 4.340 0.058 0.000 0.212 323 L C 2.303 178.803 176.870 -0.616 0.000 1.075 323 L CA 1.304 55.676 54.840 -0.780 0.000 0.752 323 L CB -0.490 40.620 42.059 -1.582 0.000 0.891 323 L HN 0.008 nan 8.230 nan 0.000 0.432 324 F N -0.624 119.185 119.950 -0.236 0.000 2.771 324 F HA -0.087 4.475 4.527 0.057 0.000 0.299 324 F C 2.390 178.165 175.800 -0.041 0.000 1.177 324 F CA 0.788 58.760 58.000 -0.047 0.000 1.450 324 F CB -0.138 38.843 39.000 -0.032 0.000 1.114 324 F HN 0.177 nan 8.300 nan 0.000 0.587 325 E N 0.198 120.432 120.200 0.057 0.000 2.413 325 E HA -0.004 4.381 4.350 0.058 0.000 0.203 325 E C 1.843 178.440 176.600 -0.005 0.000 0.957 325 E CA 0.902 57.326 56.400 0.039 0.000 0.950 325 E CB 0.046 29.762 29.700 0.028 0.000 0.957 325 E HN 0.429 nan 8.360 nan 0.000 0.497 326 D N 0.505 120.869 120.400 -0.059 0.000 2.106 326 D HA 0.075 4.750 4.640 0.058 0.000 0.203 326 D C 1.149 177.424 176.300 -0.042 0.000 0.977 326 D CA 1.115 55.075 54.000 -0.066 0.000 0.844 326 D CB -0.401 40.330 40.800 -0.115 0.000 1.002 326 D HN 0.251 nan 8.370 nan 0.000 0.461 331 F N 2.585 122.445 119.950 -0.151 0.000 2.171 331 F HA 0.177 4.739 4.527 0.057 0.000 0.300 331 F C 2.724 178.350 175.800 -0.290 0.000 1.090 331 F CA 2.000 59.839 58.000 -0.269 0.000 1.293 331 F CB -0.135 38.614 39.000 -0.418 0.000 1.013 331 F HN 0.103 nan 8.300 nan 0.000 0.486 332 R N 0.228 120.548 120.500 -0.300 0.000 2.103 332 R HA -0.184 4.191 4.340 0.058 0.000 0.242 332 R C 1.845 178.011 176.300 -0.224 0.000 1.142 332 R CA 1.776 57.735 56.100 -0.235 0.000 0.960 332 R CB -0.566 29.801 30.300 0.111 0.000 0.858 332 R HN 0.326 nan 8.270 nan 0.000 0.439 333 D N 0.169 120.472 120.400 -0.161 0.000 2.149 333 D HA -0.110 4.565 4.640 0.058 0.000 0.201 333 D C 1.990 178.167 176.300 -0.205 0.000 0.972 333 D CA 0.951 54.873 54.000 -0.130 0.000 0.835 333 D CB -0.126 40.635 40.800 -0.064 0.000 0.966 333 D HN 0.313 nan 8.370 nan 0.000 0.476 334 Q N 0.105 119.746 119.800 -0.264 0.000 2.030 334 Q HA -0.158 4.217 4.340 0.058 0.000 0.204 334 Q C 2.213 177.968 176.000 -0.409 0.000 0.986 334 Q CA 0.826 56.465 55.803 -0.274 0.000 0.843 334 Q CB -0.216 28.382 28.738 -0.233 0.000 0.904 334 Q HN 0.168 nan 8.270 nan 0.000 0.420 335 L N 0.670 121.465 121.223 -0.714 0.000 2.131 335 L HA -0.134 4.241 4.340 0.058 0.000 0.210 335 L C 2.148 178.448 176.870 -0.951 0.000 1.092 335 L CA 1.817 56.112 54.840 -0.907 0.000 0.759 335 L CB -0.732 40.597 42.059 -1.217 0.000 0.903 335 L HN 0.156 nan 8.230 nan 0.000 0.435 336 A N -1.123 121.374 122.820 -0.540 0.000 1.877 336 A HA -0.219 4.136 4.320 0.058 0.000 0.216 336 A C 2.488 179.991 177.584 -0.135 0.000 1.186 336 A CA 2.097 53.967 52.037 -0.279 0.000 0.620 336 A CB -1.020 17.923 19.000 -0.095 0.000 0.822 336 A HN 0.616 nan 8.150 nan 0.000 0.443 337 S N -0.000 115.619 115.700 -0.135 0.000 2.371 337 S HA -0.088 4.417 4.470 0.058 0.000 0.224 337 S C 1.875 176.462 174.600 -0.021 0.000 1.029 337 S CA 1.212 59.379 58.200 -0.055 0.000 0.978 337 S CB -0.798 62.367 63.200 -0.058 0.000 0.833 337 S HN 0.434 nan 8.310 nan 0.000 0.466 338 I N 1.000 121.530 120.570 -0.067 0.000 2.091 338 I HA -0.196 4.009 4.170 0.058 0.000 0.239 338 I C 2.415 178.642 176.117 0.184 0.000 1.061 338 I CA 1.615 62.928 61.300 0.023 0.000 1.317 338 I CB -0.601 37.391 38.000 -0.014 0.000 1.031 338 I HN 0.164 nan 8.210 nan 0.000 0.401 339 F N 0.400 120.358 119.950 0.013 0.000 2.087 339 F HA -0.281 4.282 4.527 0.060 0.000 0.299 339 F C 2.404 178.215 175.800 0.018 0.000 1.100 339 F CA 1.537 59.556 58.000 0.030 0.000 1.226 339 F CB -1.374 37.657 39.000 0.052 0.000 0.983 339 F HN 0.089 nan 8.300 nan 0.000 0.479 340 L N 0.272 121.634 121.223 0.232 0.000 2.131 340 L HA -0.067 4.307 4.340 0.058 0.000 0.210 340 L C 2.232 179.156 176.870 0.090 0.000 1.092 340 L CA 1.830 56.745 54.840 0.126 0.000 0.759 340 L CB -0.883 41.224 42.059 0.079 0.000 0.903 340 L HN 0.037 nan 8.230 nan 0.000 0.435 341 A N -1.934 120.941 122.820 0.092 0.000 2.067 341 A HA -0.021 4.334 4.320 0.058 0.000 0.217 341 A C 1.356 178.986 177.584 0.076 0.000 1.156 341 A CA 0.670 52.750 52.037 0.072 0.000 0.683 341 A CB -1.008 18.030 19.000 0.064 0.000 0.808 341 A HN 0.469 nan 8.150 nan 0.000 0.455 342 C N 1.862 121.215 119.300 0.087 0.000 2.210 342 C HA 0.336 4.831 4.460 0.058 0.000 0.377 342 C C 1.796 176.805 174.990 0.032 0.000 1.037 342 C CA 0.326 59.382 59.018 0.063 0.000 1.405 342 C CB -1.554 26.223 27.740 0.062 0.000 1.802 342 C HN 0.613 nan 8.230 nan 0.000 0.495 343 T N -1.677 112.899 114.554 0.036 0.000 3.086 343 T HA 0.027 4.411 4.350 0.058 0.000 0.250 343 T C 0.775 175.492 174.700 0.028 0.000 1.074 343 T CA 0.002 62.121 62.100 0.031 0.000 0.988 343 T CB 0.033 68.926 68.868 0.041 0.000 0.988 343 T HN 0.557 nan 8.240 nan 0.000 0.530 344 S N 2.159 117.864 115.700 0.008 0.000 2.552 344 S HA -0.007 4.498 4.470 0.058 0.000 0.289 344 S C 1.457 176.032 174.600 -0.042 0.000 1.304 344 S CA -0.191 58.002 58.200 -0.013 0.000 1.063 344 S CB 0.215 63.365 63.200 -0.084 0.000 0.848 344 S HN 0.780 nan 8.310 nan 0.000 0.499 345 H N 3.290 122.339 119.070 -0.035 0.000 2.518 345 H HA 0.089 4.680 4.556 0.058 0.000 0.292 345 H C 1.367 176.653 175.328 -0.070 0.000 1.068 345 H CA 1.486 57.507 56.048 -0.045 0.000 1.275 345 H CB 0.049 29.793 29.762 -0.031 0.000 1.375 345 H HN 0.585 nan 8.280 nan 0.000 0.563 346 K N 0.916 120.957 120.400 -0.599 0.000 2.367 346 K HA 0.145 4.500 4.320 0.058 0.000 0.194 346 K C 0.121 176.493 176.600 -0.380 0.000 1.027 346 K CA 0.125 56.108 56.287 -0.506 0.000 1.075 346 K CB 0.823 33.005 32.500 -0.529 0.000 0.845 346 K HN 0.181 nan 8.250 nan 0.000 0.529 347 V N 2.956 122.688 119.914 -0.303 0.000 2.599 347 V HA -0.030 4.125 4.120 0.058 0.000 0.300 347 V C -0.243 175.598 176.094 -0.422 0.000 1.034 347 V CA 0.370 62.479 62.300 -0.317 0.000 1.115 347 V CB 0.190 31.893 31.823 -0.199 0.000 0.934 347 V HN 0.200 nan 8.190 nan 0.000 0.485 348 R N 5.459 125.573 120.500 -0.643 0.000 2.807 348 R HA 0.623 4.998 4.340 0.058 0.000 0.276 348 R C -0.884 175.184 176.300 -0.388 0.000 0.979 348 R CA -0.830 54.847 56.100 -0.705 0.000 0.928 348 R CB 2.024 31.533 30.300 -1.319 0.000 1.191 348 R HN 0.723 nan 8.270 nan 0.000 0.471 349 R N 0.194 120.650 120.500 -0.072 0.000 2.637 349 R HA 0.753 5.128 4.340 0.058 0.000 0.291 349 R C -0.873 175.692 176.300 0.443 0.000 0.963 349 R CA -0.694 55.522 56.100 0.193 0.000 0.901 349 R CB 2.277 32.586 30.300 0.015 0.000 1.160 349 R HN 0.684 nan 8.270 nan 0.000 0.457 350 A N 3.755 126.856 122.820 0.469 0.000 2.374 350 A HA 0.603 4.958 4.320 0.058 0.000 0.305 350 A C -0.925 176.855 177.584 0.326 0.000 1.053 350 A CA -0.817 51.446 52.037 0.377 0.000 0.726 350 A CB 1.334 20.561 19.000 0.380 0.000 1.229 350 A HN 0.474 nan 8.150 nan 0.000 0.431 351 M N 2.691 122.426 119.600 0.225 0.000 2.149 351 M HA 0.470 4.985 4.480 0.058 0.000 0.342 351 M C -1.474 174.877 176.300 0.085 0.000 1.068 351 M CA -0.035 55.403 55.300 0.231 0.000 0.991 351 M CB 0.348 33.098 32.600 0.251 0.000 1.596 351 M HN 0.595 nan 8.290 nan 0.000 0.439 352 F N 0.802 120.802 119.950 0.083 0.000 2.469 352 F HA 0.601 5.160 4.527 0.054 0.000 0.332 352 F C 0.573 176.430 175.800 0.095 0.000 1.103 352 F CA -0.302 57.755 58.000 0.095 0.000 0.979 352 F CB 2.020 41.089 39.000 0.115 0.000 1.137 352 F HN 0.565 nan 8.300 nan 0.000 0.463 353 S N 1.043 116.876 115.700 0.221 0.000 2.556 353 S HA 0.674 5.179 4.470 0.058 0.000 0.271 353 S C 0.257 174.945 174.600 0.148 0.000 1.135 353 S CA -0.061 58.239 58.200 0.167 0.000 0.858 353 S CB 1.596 64.883 63.200 0.146 0.000 1.114 353 S HN 0.750 nan 8.310 nan 0.000 0.468 354 A N 1.820 124.711 122.820 0.117 0.000 1.970 354 A HA 0.280 4.635 4.320 0.058 0.000 0.216 354 A C 1.028 178.670 177.584 0.097 0.000 1.170 354 A CA 1.494 53.589 52.037 0.097 0.000 0.645 354 A CB -0.648 18.394 19.000 0.071 0.000 0.816 354 A HN 1.164 nan 8.150 nan 0.000 0.447 355 T N -4.549 110.070 114.554 0.108 0.000 2.876 355 T HA 0.536 4.921 4.350 0.058 0.000 0.289 355 T C -0.734 174.076 174.700 0.182 0.000 1.014 355 T CA -0.628 61.545 62.100 0.122 0.000 0.986 355 T CB 1.210 70.127 68.868 0.083 0.000 1.021 355 T HN 0.162 nan 8.240 nan 0.000 0.458 356 F N 3.398 123.358 119.950 0.016 0.000 2.541 356 F HA 0.605 5.171 4.527 0.064 0.000 0.347 356 F C 0.242 176.054 175.800 0.021 0.000 1.242 356 F CA -1.398 56.607 58.000 0.009 0.000 1.123 356 F CB -1.010 37.989 39.000 -0.002 0.000 1.354 356 F HN 0.947 nan 8.300 nan 0.000 0.621 357 A N 5.255 127.985 122.820 -0.149 0.000 2.330 357 A HA 0.337 4.692 4.320 0.058 0.000 0.329 357 A C 0.089 177.556 177.584 -0.195 0.000 1.135 357 A CA -0.665 51.291 52.037 -0.135 0.000 0.817 357 A CB 0.422 19.403 19.000 -0.031 0.000 1.269 357 A HN 0.774 nan 8.150 nan 0.000 0.469 358 Y N 0.462 120.631 120.300 -0.219 0.000 2.133 358 Y HA -0.180 4.404 4.550 0.058 0.000 0.287 358 Y C 1.236 177.034 175.900 -0.169 0.000 1.134 358 Y CA 2.466 60.442 58.100 -0.207 0.000 1.133 358 Y CB 0.266 38.642 38.460 -0.139 0.000 0.987 358 Y HN 0.710 nan 8.280 nan 0.000 0.502 359 D N -0.902 119.372 120.400 -0.211 0.000 2.355 359 D HA -0.058 4.617 4.640 0.058 0.000 0.218 359 D C 1.979 178.039 176.300 -0.399 0.000 1.004 359 D CA 0.545 54.375 54.000 -0.283 0.000 0.880 359 D CB 0.149 40.888 40.800 -0.102 0.000 0.911 359 D HN 0.263 nan 8.370 nan 0.000 0.528 360 V N 0.278 119.938 119.914 -0.423 0.000 2.379 360 V HA -0.157 3.998 4.120 0.058 0.000 0.243 360 V C 2.464 178.438 176.094 -0.200 0.000 1.035 360 V CA 1.333 63.338 62.300 -0.491 0.000 1.035 360 V CB -0.120 31.525 31.823 -0.296 0.000 0.673 360 V HN 0.155 nan 8.190 nan 0.000 0.457 361 E N -0.308 119.756 120.200 -0.226 0.000 2.038 361 E HA -0.274 4.111 4.350 0.058 0.000 0.195 361 E C 2.254 178.753 176.600 -0.169 0.000 1.000 361 E CA 1.859 58.152 56.400 -0.178 0.000 0.803 361 E CB -0.304 29.187 29.700 -0.348 0.000 0.750 361 E HN 0.707 nan 8.360 nan 0.000 0.448 362 Q N -1.426 118.185 119.800 -0.315 0.000 2.172 362 Q HA -0.052 4.323 4.340 0.058 0.000 0.200 362 Q C 1.896 177.819 176.000 -0.129 0.000 0.964 362 Q CA 1.387 57.020 55.803 -0.283 0.000 0.855 362 Q CB -0.729 27.730 28.738 -0.465 0.000 0.918 362 Q HN 0.691 nan 8.270 nan 0.000 0.444 363 W N 0.823 121.961 121.300 -0.270 0.000 2.358 363 W HA -0.227 4.467 4.660 0.056 0.000 0.303 363 W C 2.101 178.572 176.519 -0.079 0.000 1.208 363 W CA 1.437 58.675 57.345 -0.178 0.000 1.274 363 W CB -0.226 29.055 29.460 -0.297 0.000 1.138 363 W HN 0.103 nan 8.180 nan 0.000 0.515 364 C N 0.839 120.290 119.300 0.251 0.000 2.453 364 C HA -0.131 4.364 4.460 0.058 0.000 0.277 364 C C 2.581 177.546 174.990 -0.042 0.000 1.262 364 C CA 0.979 60.100 59.018 0.171 0.000 1.718 364 C CB -1.117 26.770 27.740 0.245 0.000 2.031 364 C HN 0.198 nan 8.230 nan 0.000 0.480 365 K N 0.701 121.073 120.400 -0.047 0.000 2.281 365 K HA -0.070 4.285 4.320 0.058 0.000 0.203 365 K C 1.664 178.193 176.600 -0.119 0.000 1.046 365 K CA 0.938 57.186 56.287 -0.065 0.000 0.938 365 K CB -0.538 31.928 32.500 -0.057 0.000 0.737 365 K HN 0.450 nan 8.250 nan 0.000 0.458 366 L N 0.683 121.790 121.223 -0.193 0.000 2.253 366 L HA 0.103 4.478 4.340 0.058 0.000 0.205 366 L C 1.348 178.029 176.870 -0.316 0.000 1.078 366 L CA 1.356 56.056 54.840 -0.233 0.000 0.805 366 L CB -0.044 41.864 42.059 -0.252 0.000 0.963 366 L HN 0.071 nan 8.230 nan 0.000 0.459 367 N N -0.965 117.427 118.700 -0.513 0.000 2.454 367 N HA 0.158 4.933 4.740 0.058 0.000 0.177 367 N C 0.355 175.662 175.510 -0.338 0.000 1.049 367 N CA 0.103 52.808 53.050 -0.576 0.000 0.887 367 N CB 0.658 38.389 38.487 -1.260 0.000 1.095 367 N HN 0.218 nan 8.380 nan 0.000 0.446 368 L N 1.299 122.374 121.223 -0.246 0.000 2.439 368 L HA 0.189 4.564 4.340 0.058 0.000 0.261 368 L C 0.070 176.887 176.870 -0.087 0.000 1.153 368 L CA -0.575 54.201 54.840 -0.106 0.000 0.808 368 L CB 0.607 42.676 42.059 0.017 0.000 1.126 368 L HN -0.032 nan 8.230 nan 0.000 0.460 369 D N 1.541 121.901 120.400 -0.068 0.000 2.280 369 D HA 0.073 4.748 4.640 0.058 0.000 0.243 369 D C 0.345 176.630 176.300 -0.025 0.000 1.129 369 D CA -0.139 53.828 54.000 -0.055 0.000 0.848 369 D CB 0.420 41.182 40.800 -0.062 0.000 1.107 369 D HN 0.483 nan 8.370 nan 0.000 0.471 370 N N 2.927 121.615 118.700 -0.020 0.000 2.725 370 N HA -0.201 4.574 4.740 0.058 0.000 0.251 370 N C -0.782 174.735 175.510 0.012 0.000 1.031 370 N CA 0.436 53.484 53.050 -0.003 0.000 0.720 370 N CB -1.150 37.338 38.487 0.002 0.000 0.930 370 N HN 0.295 nan 8.380 nan 0.000 0.543 371 V N 0.813 120.734 119.914 0.013 0.000 2.901 371 V HA 0.138 4.293 4.120 0.058 0.000 0.307 371 V C 0.994 177.109 176.094 0.035 0.000 1.084 371 V CA 0.159 62.479 62.300 0.034 0.000 1.184 371 V CB 0.454 32.304 31.823 0.044 0.000 0.941 371 V HN 0.261 nan 8.190 nan 0.000 0.493 372 I N 5.905 126.500 120.570 0.040 0.000 2.378 372 I HA 0.362 4.566 4.170 0.058 0.000 0.291 372 I C 0.036 176.160 176.117 0.011 0.000 0.992 372 I CA -0.212 61.102 61.300 0.023 0.000 1.154 372 I CB 1.964 39.977 38.000 0.022 0.000 1.315 372 I HN 0.754 nan 8.210 nan 0.000 0.448 373 S N 6.295 121.996 115.700 0.001 0.000 2.462 373 S HA 0.730 5.235 4.470 0.058 0.000 0.294 373 S C -0.660 173.881 174.600 -0.099 0.000 1.144 373 S CA -0.655 57.529 58.200 -0.027 0.000 1.088 373 S CB 1.609 64.828 63.200 0.033 0.000 1.009 373 S HN 0.287 nan 8.310 nan 0.000 0.484 374 V N 2.362 122.190 119.914 -0.144 0.000 2.540 374 V HA 0.801 4.956 4.120 0.058 0.000 0.302 374 V C -0.099 175.860 176.094 -0.225 0.000 1.035 374 V CA -0.583 61.623 62.300 -0.157 0.000 0.873 374 V CB 1.553 33.302 31.823 -0.122 0.000 0.992 374 V HN 0.987 nan 8.190 nan 0.000 0.428 375 S N 4.729 120.288 115.700 -0.235 0.000 2.547 375 S HA 0.718 5.223 4.470 0.058 0.000 0.281 375 S C -1.092 173.472 174.600 -0.060 0.000 1.118 375 S CA -0.623 57.425 58.200 -0.253 0.000 0.947 375 S CB 1.180 64.006 63.200 -0.622 0.000 1.053 375 S HN 0.494 nan 8.310 nan 0.000 0.482 376 I N 4.244 124.801 120.570 -0.020 0.000 2.315 376 I HA 0.352 4.557 4.170 0.058 0.000 0.291 376 I C 1.315 177.482 176.117 0.084 0.000 1.006 376 I CA -0.319 60.999 61.300 0.031 0.000 1.265 376 I CB 0.238 38.241 38.000 0.005 0.000 1.387 376 I HN 0.766 nan 8.210 nan 0.000 0.475 377 G N 4.323 113.230 108.800 0.178 0.000 2.569 377 G HA2 0.483 4.478 3.960 0.058 0.000 0.249 377 G HA3 0.483 4.478 3.960 0.058 0.000 0.249 377 G C 0.194 175.145 174.900 0.084 0.000 1.216 377 G CA -0.232 44.974 45.100 0.177 0.000 0.845 377 G HN 0.799 nan 8.290 nan 0.000 0.568 378 A N 0.000 122.857 122.820 0.062 0.000 2.254 378 A HA 0.000 4.355 4.320 0.058 0.000 0.244 378 A CA 0.000 52.060 52.037 0.039 0.000 0.836 378 A CB 0.000 19.019 19.000 0.032 0.000 0.831 378 A HN 0.000 nan 8.150 nan 0.000 0.486