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 3m0e_1_G DATA FIRST_RESID 138 DATA SEQUENCE EYVFESPKMK EILEKIKKIS CAECPVLITG ESGVGKEVVA RLIHKLSDRS DATA SEQUENCE KEPFVALNVA SIPRDIFEAE LFGYEKGAFT GAVSSKEGFF ELADGGTLFL DATA SEQUENCE DAIGELSLEA QAKLLRVIES GKFYRLGGRK EIEVNVRILA ATNRNIKELV DATA SEQUENCE KEGKFREDLY YRLGVIEIEI PPLRERKEDI IPLANHFLKK FSRKYAKEVE DATA SEQUENCE GFTKSAQELL LSYPWYGNVR ELKNVIERAV LFSEGKFIDR GELSCLV 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 138 E HA 0.000 nan 4.350 nan 0.000 0.291 138 E C 0.000 176.267 176.600 -0.555 0.000 1.382 138 E CA 0.000 56.229 56.400 -0.285 0.000 0.976 138 E CB 0.000 29.562 29.700 -0.230 0.000 0.812 139 Y N 0.312 120.519 120.300 -0.156 0.000 2.387 139 Y HA 0.544 5.094 4.550 -0.000 0.000 0.330 139 Y C 0.495 176.187 175.900 -0.346 0.000 1.133 139 Y CA -1.207 56.731 58.100 -0.270 0.000 1.152 139 Y CB 2.153 40.575 38.460 -0.063 0.000 1.215 139 Y HN -0.159 nan 8.280 nan 0.000 0.466 140 V N 4.468 124.122 119.914 -0.435 0.000 2.350 140 V HA 0.261 4.381 4.120 -0.000 0.000 0.276 140 V C -0.962 174.774 176.094 -0.596 0.000 1.028 140 V CA -0.643 61.408 62.300 -0.415 0.000 0.860 140 V CB 0.148 31.711 31.823 -0.435 0.000 0.990 140 V HN 0.502 nan 8.190 nan 0.000 0.453 141 F N 3.768 123.674 119.950 -0.073 0.000 2.610 141 F HA 0.543 5.070 4.527 -0.000 0.000 0.355 141 F C 0.863 176.634 175.800 -0.048 0.000 1.140 141 F CA -0.356 57.612 58.000 -0.054 0.000 1.037 141 F CB 1.717 40.692 39.000 -0.041 0.000 1.287 141 F HN 0.404 nan 8.300 nan 0.000 0.457 142 E N 0.389 120.630 120.200 0.069 0.000 2.406 142 E HA 0.052 4.402 4.350 -0.000 0.000 0.204 142 E C 0.880 177.501 176.600 0.034 0.000 0.820 142 E CA 0.407 56.829 56.400 0.037 0.000 1.136 142 E CB 0.213 29.910 29.700 -0.006 0.000 1.129 142 E HN 0.497 nan 8.360 nan 0.000 0.530 143 S N 2.011 117.727 115.700 0.027 0.000 2.580 143 S HA 0.066 4.536 4.470 -0.000 0.000 0.266 143 S C -1.840 172.782 174.600 0.037 0.000 1.354 143 S CA -0.796 57.420 58.200 0.026 0.000 1.008 143 S CB 1.002 64.213 63.200 0.020 0.000 0.898 143 S HN -0.221 nan 8.310 nan 0.000 0.555 144 P HA -0.088 nan 4.420 nan 0.000 0.214 144 P C 1.097 178.417 177.300 0.032 0.000 1.163 144 P CA 1.479 64.595 63.100 0.026 0.000 0.883 144 P CB -0.034 31.678 31.700 0.020 0.000 0.788 145 K N -1.291 119.130 120.400 0.034 0.000 2.097 145 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 145 K C 2.087 178.722 176.600 0.058 0.000 1.049 145 K CA 1.359 57.668 56.287 0.038 0.000 0.933 145 K CB -0.480 32.041 32.500 0.036 0.000 0.717 145 K HN 0.044 nan 8.250 nan 0.000 0.442 146 M N 1.041 120.693 119.600 0.088 0.000 2.175 146 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 146 M C 1.779 178.171 176.300 0.154 0.000 1.063 146 M CA 1.629 57.036 55.300 0.178 0.000 1.119 146 M CB -0.604 32.130 32.600 0.223 0.000 1.377 146 M HN 0.048 nan 8.290 nan 0.000 0.415 147 K N 0.169 120.623 120.400 0.089 0.000 2.057 147 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 147 K C 1.935 178.521 176.600 -0.023 0.000 1.050 147 K CA 1.207 57.509 56.287 0.025 0.000 0.935 147 K CB -0.018 32.497 32.500 0.025 0.000 0.715 147 K HN 0.432 nan 8.250 nan 0.000 0.439 148 E N 0.654 120.853 120.200 -0.002 0.000 2.051 148 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 148 E C 2.036 178.617 176.600 -0.032 0.000 0.991 148 E CA 1.155 57.547 56.400 -0.014 0.000 0.799 148 E CB -0.145 29.556 29.700 0.002 0.000 0.748 148 E HN 0.262 nan 8.360 nan 0.000 0.449 149 I N 0.833 121.393 120.570 -0.017 0.000 2.163 149 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 149 I C 2.482 178.527 176.117 -0.119 0.000 1.085 149 I CA 0.616 61.898 61.300 -0.031 0.000 1.347 149 I CB -0.177 37.841 38.000 0.030 0.000 1.044 149 I HN 0.137 nan 8.210 nan 0.000 0.408 150 L N 0.646 121.731 121.223 -0.230 0.000 2.079 150 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 150 L C 2.408 179.140 176.870 -0.231 0.000 1.081 150 L CA 1.940 56.535 54.840 -0.408 0.000 0.752 150 L CB -0.757 40.936 42.059 -0.610 0.000 0.896 150 L HN 0.185 nan 8.230 nan 0.000 0.433 151 E N 0.056 120.169 120.200 -0.145 0.000 2.047 151 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 151 E C 2.198 178.752 176.600 -0.077 0.000 0.987 151 E CA 1.198 57.541 56.400 -0.096 0.000 0.799 151 E CB -0.129 29.534 29.700 -0.063 0.000 0.752 151 E HN 0.553 nan 8.360 nan 0.000 0.449 152 K N 0.406 120.767 120.400 -0.064 0.000 2.074 152 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 152 K C 2.335 178.903 176.600 -0.054 0.000 1.048 152 K CA 1.245 57.505 56.287 -0.046 0.000 0.926 152 K CB -0.285 32.196 32.500 -0.031 0.000 0.713 152 K HN 0.126 nan 8.250 nan 0.000 0.444 153 I N 1.280 121.802 120.570 -0.081 0.000 2.163 153 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 153 I C 2.232 178.305 176.117 -0.073 0.000 1.085 153 I CA 1.523 62.774 61.300 -0.082 0.000 1.347 153 I CB -0.208 37.715 38.000 -0.127 0.000 1.044 153 I HN 0.157 nan 8.210 nan 0.000 0.408 154 K N 0.722 121.070 120.400 -0.088 0.000 2.057 154 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 154 K C 2.026 178.597 176.600 -0.049 0.000 1.050 154 K CA 1.121 57.366 56.287 -0.071 0.000 0.935 154 K CB -0.058 32.395 32.500 -0.078 0.000 0.715 154 K HN 0.237 nan 8.250 nan 0.000 0.439 155 K N 0.954 121.328 120.400 -0.044 0.000 2.283 155 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 155 K C 1.916 178.502 176.600 -0.022 0.000 1.048 155 K CA 1.035 57.304 56.287 -0.030 0.000 0.948 155 K CB -0.070 32.414 32.500 -0.026 0.000 0.742 155 K HN 0.417 nan 8.250 nan 0.000 0.458 156 I N -2.428 118.129 120.570 -0.023 0.000 3.883 156 I HA 0.087 4.257 4.170 -0.000 0.000 0.326 156 I C 1.237 177.347 176.117 -0.011 0.000 1.283 156 I CA 0.044 61.337 61.300 -0.012 0.000 1.161 156 I CB 0.160 38.157 38.000 -0.006 0.000 1.012 156 I HN -0.195 nan 8.210 nan 0.000 0.421 157 S N 2.040 117.728 115.700 -0.020 0.000 2.392 157 S HA -0.234 4.236 4.470 -0.000 0.000 0.232 157 S C 2.031 176.622 174.600 -0.015 0.000 1.041 157 S CA 2.003 60.190 58.200 -0.022 0.000 1.026 157 S CB -0.719 62.462 63.200 -0.031 0.000 0.845 157 S HN 0.880 nan 8.310 nan 0.000 0.465 158 C N 0.938 120.231 119.300 -0.011 0.000 2.522 158 C HA 0.687 5.147 4.460 -0.000 0.000 0.271 158 C C 1.236 176.226 174.990 0.001 0.000 1.425 158 C CA -1.013 58.001 59.018 -0.006 0.000 1.751 158 C CB -1.846 25.890 27.740 -0.007 0.000 1.775 158 C HN 0.471 nan 8.230 nan 0.000 0.557 159 A N 0.668 123.490 122.820 0.004 0.000 2.288 159 A HA 0.701 5.021 4.320 -0.000 0.000 0.328 159 A C 0.382 177.978 177.584 0.020 0.000 1.123 159 A CA -0.426 51.618 52.037 0.012 0.000 0.861 159 A CB 0.677 19.684 19.000 0.011 0.000 1.272 159 A HN 0.493 nan 8.150 nan 0.000 0.490 160 E N -0.500 119.717 120.200 0.028 0.000 2.810 160 E HA 0.133 4.483 4.350 -0.000 0.000 0.214 160 E C -0.418 176.210 176.600 0.045 0.000 0.980 160 E CA -0.254 56.170 56.400 0.040 0.000 1.159 160 E CB 0.386 30.111 29.700 0.042 0.000 1.047 160 E HN 0.771 nan 8.360 nan 0.000 0.484 161 C N 0.507 119.830 119.300 0.038 0.000 2.595 161 C HA 0.483 4.943 4.460 -0.000 0.000 0.384 161 C C -2.188 172.829 174.990 0.045 0.000 1.289 161 C CA -2.135 56.907 59.018 0.040 0.000 2.372 161 C CB 0.157 27.915 27.740 0.030 0.000 2.593 161 C HN 0.005 nan 8.230 nan 0.000 0.639 162 P HA 0.270 nan 4.420 nan 0.000 0.265 162 P C -0.642 176.682 177.300 0.040 0.000 1.193 162 P CA 0.229 63.361 63.100 0.053 0.000 0.765 162 P CB 0.296 32.029 31.700 0.056 0.000 0.823 163 V N 4.559 124.504 119.914 0.051 0.000 2.495 163 V HA 0.341 4.461 4.120 -0.000 0.000 0.298 163 V C -0.180 175.948 176.094 0.057 0.000 1.031 163 V CA -0.670 61.657 62.300 0.044 0.000 0.871 163 V CB 1.687 33.539 31.823 0.048 0.000 0.988 163 V HN 0.326 nan 8.190 nan 0.000 0.432 164 L N 6.951 128.194 121.223 0.033 0.000 2.294 164 L HA 0.647 4.987 4.340 -0.000 0.000 0.283 164 L C -0.606 176.291 176.870 0.046 0.000 1.015 164 L CA 0.169 55.030 54.840 0.036 0.000 0.831 164 L CB 0.866 42.921 42.059 -0.008 0.000 1.217 164 L HN 0.554 nan 8.230 nan 0.000 0.420 165 I N 4.942 125.557 120.570 0.074 0.000 2.339 165 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 165 I C 0.096 176.251 176.117 0.062 0.000 0.994 165 I CA -0.295 61.049 61.300 0.074 0.000 1.191 165 I CB 1.601 39.663 38.000 0.104 0.000 1.343 165 I HN 0.683 nan 8.210 nan 0.000 0.458 166 T N 1.802 116.382 114.554 0.042 0.000 2.916 166 T HA 0.974 5.324 4.350 -0.000 0.000 0.292 166 T C -0.193 174.525 174.700 0.030 0.000 1.064 166 T CA -0.947 61.170 62.100 0.027 0.000 1.011 166 T CB 2.325 71.198 68.868 0.007 0.000 1.152 166 T HN 1.048 nan 8.240 nan 0.000 0.510 167 G N 0.252 109.068 108.800 0.025 0.000 2.345 167 G HA2 0.324 4.284 3.960 -0.000 0.000 0.310 167 G HA3 0.324 4.284 3.960 -0.000 0.000 0.310 167 G C -1.256 173.665 174.900 0.034 0.000 1.476 167 G CA -1.049 44.069 45.100 0.030 0.000 0.978 167 G HN 0.885 nan 8.290 nan 0.000 0.656 168 E N -0.019 120.206 120.200 0.041 0.000 2.442 168 E HA 0.312 4.662 4.350 -0.000 0.000 0.260 168 E C 0.808 177.440 176.600 0.055 0.000 1.148 168 E CA 0.352 56.782 56.400 0.050 0.000 0.976 168 E CB 0.610 30.353 29.700 0.071 0.000 0.967 168 E HN 0.509 nan 8.360 nan 0.000 0.454 169 S N 0.335 116.070 115.700 0.059 0.000 2.544 169 S HA 0.235 4.705 4.470 -0.000 0.000 0.290 169 S C 0.909 175.551 174.600 0.069 0.000 1.276 169 S CA 0.721 58.957 58.200 0.060 0.000 1.075 169 S CB -0.277 62.959 63.200 0.060 0.000 0.849 169 S HN 0.766 nan 8.310 nan 0.000 0.494 170 G N 2.308 111.143 108.800 0.057 0.000 2.157 170 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.239 170 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.239 170 G C 0.631 175.552 174.900 0.035 0.000 0.982 170 G CA 0.411 45.541 45.100 0.051 0.000 0.650 170 G HN 1.753 nan 8.290 nan 0.000 0.527 171 V N -2.123 117.811 119.914 0.033 0.000 3.541 171 V HA 0.591 4.711 4.120 -0.000 0.000 0.267 171 V C 1.695 177.784 176.094 -0.007 0.000 1.213 171 V CA 1.462 63.772 62.300 0.016 0.000 1.149 171 V CB 0.057 31.896 31.823 0.027 0.000 0.822 171 V HN 2.230 nan 8.190 nan 0.000 0.462 172 G N 0.450 109.247 108.800 -0.005 0.000 2.155 172 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.135 172 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.135 172 G C 0.452 175.335 174.900 -0.029 0.000 1.023 172 G CA 0.214 45.289 45.100 -0.041 0.000 0.688 172 G HN 0.467 nan 8.290 nan 0.000 0.499 173 K N -0.176 120.235 120.400 0.018 0.000 2.057 173 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 173 K C 2.045 178.659 176.600 0.024 0.000 1.049 173 K CA 1.579 57.895 56.287 0.048 0.000 0.931 173 K CB 0.008 32.570 32.500 0.103 0.000 0.714 173 K HN 0.470 nan 8.250 nan 0.000 0.440 174 E N 0.998 121.217 120.200 0.032 0.000 2.106 174 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 174 E C 1.848 178.343 176.600 -0.175 0.000 0.984 174 E CA 0.749 57.126 56.400 -0.039 0.000 0.806 174 E CB 0.119 29.858 29.700 0.065 0.000 0.750 174 E HN -0.011 nan 8.360 nan 0.000 0.458 175 V N 0.149 119.955 119.914 -0.180 0.000 2.287 175 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 175 V C 2.344 178.277 176.094 -0.268 0.000 1.053 175 V CA 1.636 63.737 62.300 -0.333 0.000 1.027 175 V CB -0.378 31.155 31.823 -0.484 0.000 0.646 175 V HN 0.242 nan 8.190 nan 0.000 0.447 176 V N 0.110 119.935 119.914 -0.149 0.000 2.407 176 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 176 V C 2.656 178.682 176.094 -0.113 0.000 1.055 176 V CA 1.991 64.243 62.300 -0.080 0.000 1.049 176 V CB -1.037 30.779 31.823 -0.012 0.000 0.662 176 V HN 0.572 nan 8.190 nan 0.000 0.455 177 A N 0.121 122.832 122.820 -0.181 0.000 1.902 177 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 177 A C 2.361 179.834 177.584 -0.185 0.000 1.181 177 A CA 1.641 53.534 52.037 -0.240 0.000 0.623 177 A CB -0.435 18.149 19.000 -0.693 0.000 0.818 177 A HN 0.527 nan 8.150 nan 0.000 0.443 178 R N -1.222 119.073 120.500 -0.343 0.000 2.115 178 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 178 R C 1.965 178.160 176.300 -0.176 0.000 1.100 178 R CA 1.046 56.869 56.100 -0.462 0.000 0.980 178 R CB -0.506 29.457 30.300 -0.562 0.000 0.875 178 R HN 0.434 nan 8.270 nan 0.000 0.445 179 L N 1.365 122.509 121.223 -0.132 0.000 2.027 179 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 179 L C 2.066 178.915 176.870 -0.036 0.000 1.074 179 L CA 1.531 56.333 54.840 -0.064 0.000 0.745 179 L CB -0.341 41.678 42.059 -0.066 0.000 0.898 179 L HN 0.086 nan 8.230 nan 0.000 0.433 180 I N -1.185 119.371 120.570 -0.023 0.000 2.264 180 I HA -0.373 3.797 4.170 -0.000 0.000 0.248 180 I C 2.491 178.642 176.117 0.057 0.000 1.111 180 I CA 1.571 62.876 61.300 0.009 0.000 1.382 180 I CB -0.371 37.644 38.000 0.025 0.000 1.060 180 I HN 0.454 nan 8.210 nan 0.000 0.418 181 H N 1.364 120.440 119.070 0.009 0.000 2.299 181 H HA -0.208 4.348 4.556 -0.000 0.000 0.302 181 H C 2.257 177.595 175.328 0.016 0.000 1.078 181 H CA 2.114 58.201 56.048 0.065 0.000 1.323 181 H CB -0.055 29.806 29.762 0.166 0.000 1.381 181 H HN 0.123 nan 8.280 nan 0.000 0.498 182 K N 0.239 120.576 120.400 -0.104 0.000 2.103 182 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 182 K C 1.656 178.181 176.600 -0.124 0.000 1.048 182 K CA 1.669 57.872 56.287 -0.141 0.000 0.930 182 K CB -0.097 32.376 32.500 -0.044 0.000 0.716 182 K HN 0.410 nan 8.250 nan 0.000 0.444 183 L N 1.419 122.590 121.223 -0.086 0.000 2.591 183 L HA 0.059 4.399 4.340 -0.000 0.000 0.228 183 L C 1.112 177.940 176.870 -0.070 0.000 1.133 183 L CA -0.245 54.553 54.840 -0.070 0.000 0.880 183 L CB 0.006 42.030 42.059 -0.059 0.000 1.033 183 L HN 0.211 nan 8.230 nan 0.000 0.450 184 S N -1.268 114.378 115.700 -0.091 0.000 2.713 184 S HA 0.051 4.521 4.470 -0.000 0.000 0.277 184 S C 0.947 175.503 174.600 -0.074 0.000 1.168 184 S CA -0.472 57.690 58.200 -0.064 0.000 0.994 184 S CB 0.968 64.149 63.200 -0.032 0.000 1.054 184 S HN 0.327 nan 8.310 nan 0.000 0.555 185 D N -0.489 119.888 120.400 -0.040 0.000 2.363 185 D HA -0.061 4.579 4.640 -0.000 0.000 0.226 185 D C 0.828 177.109 176.300 -0.031 0.000 1.020 185 D CA 0.277 54.259 54.000 -0.030 0.000 0.892 185 D CB -0.111 40.684 40.800 -0.009 0.000 0.900 185 D HN 0.544 nan 8.370 nan 0.000 0.531 186 R N 0.779 121.248 120.500 -0.051 0.000 2.546 186 R HA 0.123 4.463 4.340 -0.000 0.000 0.320 186 R C 1.836 178.043 176.300 -0.155 0.000 1.021 186 R CA 0.152 56.236 56.100 -0.026 0.000 1.088 186 R CB 0.403 30.750 30.300 0.078 0.000 1.278 186 R HN 0.118 nan 8.270 nan 0.000 0.557 187 S N 1.390 116.928 115.700 -0.271 0.000 2.423 187 S HA -0.203 4.267 4.470 -0.000 0.000 0.238 187 S C 1.553 176.053 174.600 -0.167 0.000 1.028 187 S CA 1.173 59.123 58.200 -0.416 0.000 1.000 187 S CB -0.087 62.975 63.200 -0.230 0.000 0.797 187 S HN 0.314 nan 8.310 nan 0.000 0.487 188 K N 0.558 120.931 120.400 -0.046 0.000 2.374 188 K HA 0.235 4.555 4.320 -0.000 0.000 0.196 188 K C 0.143 176.793 176.600 0.084 0.000 1.023 188 K CA 0.079 56.383 56.287 0.028 0.000 1.103 188 K CB 0.292 32.798 32.500 0.012 0.000 0.848 188 K HN 0.378 nan 8.250 nan 0.000 0.528 189 E N 1.022 121.297 120.200 0.125 0.000 2.280 189 E HA 0.245 4.595 4.350 -0.000 0.000 0.261 189 E C -2.507 174.238 176.600 0.242 0.000 1.088 189 E CA -2.603 53.892 56.400 0.157 0.000 0.915 189 E CB -0.015 29.769 29.700 0.141 0.000 1.141 189 E HN -0.146 nan 8.360 nan 0.000 0.433 190 P HA 0.085 nan 4.420 nan 0.000 0.269 190 P C -0.735 176.621 177.300 0.093 0.000 1.209 190 P CA 0.125 63.305 63.100 0.132 0.000 0.776 190 P CB 0.157 31.905 31.700 0.080 0.000 0.876 191 F N 3.567 123.421 119.950 -0.161 0.000 2.311 191 F HA 0.325 4.852 4.527 -0.000 0.000 0.371 191 F C -0.689 175.023 175.800 -0.147 0.000 1.083 191 F CA -0.862 56.932 58.000 -0.343 0.000 1.113 191 F CB 0.606 39.204 39.000 -0.671 0.000 1.349 191 F HN -0.070 nan 8.300 nan 0.000 0.470 192 V N 6.376 126.115 119.914 -0.292 0.000 2.372 192 V HA 0.489 4.609 4.120 -0.000 0.000 0.261 192 V C 0.569 176.476 176.094 -0.311 0.000 1.055 192 V CA -0.406 61.776 62.300 -0.197 0.000 0.930 192 V CB 0.217 31.949 31.823 -0.152 0.000 1.031 192 V HN 0.825 nan 8.190 nan 0.000 0.479 193 A N 5.877 128.625 122.820 -0.120 0.000 2.310 193 A HA 0.864 5.184 4.320 -0.000 0.000 0.299 193 A C -0.812 176.627 177.584 -0.243 0.000 1.147 193 A CA -0.420 51.590 52.037 -0.045 0.000 0.818 193 A CB 0.910 20.054 19.000 0.242 0.000 1.096 193 A HN 0.760 nan 8.150 nan 0.000 0.495 194 L N 2.241 123.263 121.223 -0.334 0.000 2.639 194 L HA 0.290 4.630 4.340 -0.000 0.000 0.264 194 L C -0.710 175.951 176.870 -0.348 0.000 0.948 194 L CA -0.262 54.319 54.840 -0.432 0.000 0.912 194 L CB 1.798 43.496 42.059 -0.601 0.000 1.294 194 L HN 0.764 nan 8.230 nan 0.000 0.412 195 N N 3.919 122.473 118.700 -0.243 0.000 2.466 195 N HA 0.008 4.748 4.740 -0.000 0.000 0.263 195 N C 0.809 176.237 175.510 -0.137 0.000 1.178 195 N CA 0.333 53.277 53.050 -0.177 0.000 0.983 195 N CB 1.205 39.630 38.487 -0.103 0.000 1.331 195 N HN 0.591 nan 8.380 nan 0.000 0.500 196 V N 3.875 123.708 119.914 -0.134 0.000 2.809 196 V HA -0.061 4.059 4.120 -0.000 0.000 0.256 196 V C 1.857 178.003 176.094 0.086 0.000 1.080 196 V CA 2.000 64.283 62.300 -0.029 0.000 1.102 196 V CB -0.452 31.365 31.823 -0.011 0.000 0.705 196 V HN 0.716 nan 8.190 nan 0.000 0.475 197 A N -0.268 122.565 122.820 0.021 0.000 2.123 197 A HA -0.019 4.301 4.320 -0.000 0.000 0.214 197 A C 2.364 179.961 177.584 0.023 0.000 1.152 197 A CA 1.282 53.332 52.037 0.022 0.000 0.728 197 A CB -0.389 18.613 19.000 0.004 0.000 0.814 197 A HN 0.753 nan 8.150 nan 0.000 0.464 198 S N -0.369 115.340 115.700 0.015 0.000 2.528 198 S HA 0.196 4.666 4.470 -0.000 0.000 0.219 198 S C 0.576 175.200 174.600 0.040 0.000 0.985 198 S CA -0.308 57.901 58.200 0.015 0.000 0.914 198 S CB -0.621 62.577 63.200 -0.003 0.000 0.776 198 S HN 0.373 nan 8.310 nan 0.000 0.526 199 I N 3.553 124.168 120.570 0.076 0.000 2.662 199 I HA 0.186 4.356 4.170 -0.000 0.000 0.285 199 I C -2.300 173.903 176.117 0.144 0.000 1.161 199 I CA -1.864 59.509 61.300 0.121 0.000 1.415 199 I CB 0.126 38.236 38.000 0.183 0.000 1.385 199 I HN 0.078 nan 8.210 nan 0.000 0.552 200 P HA 0.056 nan 4.420 nan 0.000 0.268 200 P C 0.394 177.762 177.300 0.113 0.000 1.204 200 P CA -0.410 62.738 63.100 0.081 0.000 0.768 200 P CB 0.506 32.242 31.700 0.060 0.000 0.842 201 R N 2.671 123.211 120.500 0.068 0.000 2.127 201 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 201 R C 0.765 177.126 176.300 0.102 0.000 1.134 201 R CA 1.935 58.069 56.100 0.058 0.000 0.975 201 R CB -0.975 29.322 30.300 -0.005 0.000 0.865 201 R HN 0.376 nan 8.270 nan 0.000 0.447 202 D N 1.856 122.304 120.400 0.079 0.000 2.348 202 D HA -0.112 4.528 4.640 -0.000 0.000 0.216 202 D C 1.757 178.111 176.300 0.090 0.000 0.970 202 D CA 0.832 54.876 54.000 0.074 0.000 0.889 202 D CB -0.195 40.632 40.800 0.045 0.000 0.912 202 D HN 0.722 nan 8.370 nan 0.000 0.524 203 I N -4.972 115.665 120.570 0.112 0.000 4.009 203 I HA 0.323 4.493 4.170 -0.000 0.000 0.331 203 I C 1.288 177.480 176.117 0.125 0.000 1.462 203 I CA -0.761 60.599 61.300 0.101 0.000 1.117 203 I CB -0.153 37.888 38.000 0.069 0.000 1.091 203 I HN -0.297 nan 8.210 nan 0.000 0.410 204 F N 2.897 122.860 119.950 0.021 0.000 2.043 204 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 204 F C 2.295 178.075 175.800 -0.033 0.000 1.121 204 F CA 2.409 60.406 58.000 -0.005 0.000 1.199 204 F CB -0.014 38.985 39.000 -0.001 0.000 0.968 204 F HN 0.108 nan 8.300 nan 0.000 0.478 205 E N 0.013 120.305 120.200 0.154 0.000 2.038 205 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 205 E C 2.324 178.951 176.600 0.045 0.000 1.000 205 E CA 1.479 57.968 56.400 0.147 0.000 0.803 205 E CB -0.608 29.304 29.700 0.352 0.000 0.750 205 E HN 0.475 nan 8.360 nan 0.000 0.448 206 A N 0.723 123.606 122.820 0.105 0.000 1.917 206 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 206 A C 2.092 179.705 177.584 0.048 0.000 1.182 206 A CA 2.048 54.186 52.037 0.168 0.000 0.633 206 A CB -0.520 18.587 19.000 0.178 0.000 0.819 206 A HN 0.261 nan 8.150 nan 0.000 0.448 207 E N -1.298 118.861 120.200 -0.069 0.000 2.112 207 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 207 E C 1.706 178.190 176.600 -0.193 0.000 0.979 207 E CA 0.656 56.995 56.400 -0.102 0.000 0.814 207 E CB -0.046 29.632 29.700 -0.038 0.000 0.762 207 E HN 0.422 nan 8.360 nan 0.000 0.460 208 L N -0.971 119.959 121.223 -0.489 0.000 2.162 208 L HA 0.070 4.410 4.340 -0.000 0.000 0.205 208 L C 1.247 177.743 176.870 -0.623 0.000 1.086 208 L CA 1.418 55.847 54.840 -0.685 0.000 0.778 208 L CB -0.029 41.229 42.059 -1.334 0.000 0.928 208 L HN 0.201 nan 8.230 nan 0.000 0.446 209 F N -1.429 118.422 119.950 -0.166 0.000 2.706 209 F HA 0.496 5.023 4.527 -0.000 0.000 0.308 209 F C 1.469 177.295 175.800 0.044 0.000 1.095 209 F CA 0.070 57.941 58.000 -0.216 0.000 1.244 209 F CB 0.052 38.952 39.000 -0.167 0.000 1.063 209 F HN 0.085 nan 8.300 nan 0.000 0.582 210 G N 1.190 110.053 108.800 0.106 0.000 2.782 210 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.228 210 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.228 210 G C -1.318 173.662 174.900 0.132 0.000 1.372 210 G CA -0.332 44.771 45.100 0.005 0.000 0.862 210 G HN 0.457 nan 8.290 nan 0.000 0.547 211 Y N -2.534 117.803 120.300 0.061 0.000 2.562 211 Y HA 0.844 5.394 4.550 -0.000 0.000 0.345 211 Y C -0.407 175.502 175.900 0.015 0.000 1.045 211 Y CA -1.420 56.708 58.100 0.047 0.000 1.028 211 Y CB 1.494 39.964 38.460 0.017 0.000 1.297 211 Y HN 0.722 nan 8.280 nan 0.000 0.463 212 E N 2.093 122.404 120.200 0.185 0.000 2.277 212 E HA 0.289 4.639 4.350 -0.000 0.000 0.274 212 E C -0.934 175.712 176.600 0.077 0.000 1.022 212 E CA -0.871 55.574 56.400 0.075 0.000 0.853 212 E CB 0.878 30.604 29.700 0.043 0.000 1.086 212 E HN 0.633 nan 8.360 nan 0.000 0.397 213 K N 2.024 122.436 120.400 0.020 0.000 2.489 213 K HA 0.407 4.727 4.320 -0.000 0.000 0.278 213 K C 0.724 177.214 176.600 -0.184 0.000 1.000 213 K CA 0.361 56.628 56.287 -0.034 0.000 1.012 213 K CB 0.609 33.095 32.500 -0.022 0.000 0.903 213 K HN 0.596 nan 8.250 nan 0.000 0.485 214 G N 2.041 110.582 108.800 -0.432 0.000 2.680 214 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.222 214 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.222 214 G C 0.848 174.855 174.900 -1.488 0.000 1.460 214 G CA 0.719 45.196 45.100 -1.037 0.000 1.275 214 G HN 1.433 nan 8.290 nan 0.000 0.506 215 A N -1.316 121.054 122.820 -0.750 0.000 1.284 215 A HA -0.047 4.273 4.320 -0.000 0.000 0.395 215 A C 1.412 178.934 177.584 -0.103 0.000 5.596 215 A CA 3.623 55.489 52.037 -0.285 0.000 1.087 215 A CB -1.292 17.624 19.000 -0.141 0.000 1.404 215 A HN 2.532 nan 8.150 nan 0.000 0.704 216 F N -2.873 117.066 119.950 -0.017 0.000 1.797 216 F HA 0.057 4.584 4.527 -0.000 0.000 0.351 216 F C 0.514 176.289 175.800 -0.042 0.000 1.100 216 F CA 1.130 59.118 58.000 -0.020 0.000 2.214 216 F CB -1.651 37.345 39.000 -0.006 0.000 2.885 216 F HN 0.897 nan 8.300 nan 0.000 0.479 217 T N -0.964 113.594 114.554 0.008 0.000 1.594 217 T HA 0.535 4.885 4.350 -0.000 0.000 0.179 217 T C 1.507 176.187 174.700 -0.032 0.000 0.686 217 T CA 0.566 62.651 62.100 -0.024 0.000 1.183 217 T CB 0.364 69.169 68.868 -0.105 0.000 3.378 217 T HN 0.397 nan 8.240 nan 0.000 0.412 218 G N 1.223 109.974 108.800 -0.082 0.000 3.302 218 G HA2 0.475 4.435 3.960 -0.000 0.000 0.220 218 G HA3 0.475 4.435 3.960 -0.000 0.000 0.220 218 G C 0.103 174.980 174.900 -0.038 0.000 1.297 218 G CA 0.481 45.553 45.100 -0.046 0.000 1.213 218 G HN 0.866 nan 8.290 nan 0.000 0.508 219 A N -0.922 121.870 122.820 -0.046 0.000 2.422 219 A HA 0.633 4.953 4.320 -0.000 0.000 0.302 219 A C 0.509 178.101 177.584 0.013 0.000 1.041 219 A CA -0.461 51.575 52.037 -0.001 0.000 0.708 219 A CB 1.716 20.755 19.000 0.064 0.000 1.257 219 A HN 0.127 nan 8.150 nan 0.000 0.414 220 V N 1.248 121.189 119.914 0.045 0.000 2.492 220 V HA 0.101 4.221 4.120 -0.000 0.000 0.241 220 V C 1.234 177.348 176.094 0.034 0.000 1.041 220 V CA 1.738 64.061 62.300 0.038 0.000 1.057 220 V CB -0.122 31.726 31.823 0.041 0.000 0.711 220 V HN 1.014 nan 8.190 nan 0.000 0.468 221 S N -0.973 114.763 115.700 0.060 0.000 2.634 221 S HA 0.566 5.036 4.470 -0.000 0.000 0.296 221 S C -0.306 174.320 174.600 0.044 0.000 1.104 221 S CA -0.528 57.694 58.200 0.036 0.000 0.920 221 S CB 1.923 65.132 63.200 0.014 0.000 1.111 221 S HN 0.183 nan 8.310 nan 0.000 0.493 222 S N 1.068 116.750 115.700 -0.031 0.000 2.576 222 S HA 0.478 4.948 4.470 -0.000 0.000 0.272 222 S C -0.192 174.230 174.600 -0.296 0.000 1.352 222 S CA -0.341 57.777 58.200 -0.137 0.000 1.021 222 S CB 0.096 63.237 63.200 -0.097 0.000 0.887 222 S HN 0.722 nan 8.310 nan 0.000 0.542 223 K N 1.298 121.344 120.400 -0.590 0.000 2.513 223 K HA 0.256 4.576 4.320 -0.000 0.000 0.251 223 K C -0.974 175.369 176.600 -0.428 0.000 0.939 223 K CA -0.256 55.676 56.287 -0.592 0.000 0.793 223 K CB 1.199 33.115 32.500 -0.975 0.000 1.241 223 K HN 0.597 nan 8.250 nan 0.000 0.431 224 E N 1.387 121.435 120.200 -0.253 0.000 2.392 224 E HA 0.207 4.557 4.350 -0.000 0.000 0.264 224 E C 0.231 176.704 176.600 -0.212 0.000 1.024 224 E CA 0.085 56.391 56.400 -0.157 0.000 0.903 224 E CB 0.761 30.392 29.700 -0.116 0.000 0.963 224 E HN 0.721 nan 8.360 nan 0.000 0.432 225 G N 1.040 109.771 108.800 -0.116 0.000 2.537 225 G HA2 0.144 4.104 3.960 -0.000 0.000 0.297 225 G HA3 0.144 4.104 3.960 -0.000 0.000 0.297 225 G C 0.020 174.790 174.900 -0.217 0.000 1.310 225 G CA -0.508 44.474 45.100 -0.197 0.000 1.027 225 G HN 0.469 nan 8.290 nan 0.000 0.505 226 F N -1.109 118.748 119.950 -0.156 0.000 2.293 226 F HA 0.102 4.629 4.527 -0.000 0.000 0.300 226 F C 2.251 177.936 175.800 -0.193 0.000 1.086 226 F CA 0.698 58.581 58.000 -0.196 0.000 1.375 226 F CB -0.299 38.523 39.000 -0.297 0.000 1.045 226 F HN 0.327 nan 8.300 nan 0.000 0.516 227 F N 0.731 120.666 119.950 -0.026 0.000 2.095 227 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 227 F C 2.382 178.246 175.800 0.106 0.000 1.104 227 F CA 1.718 59.720 58.000 0.004 0.000 1.232 227 F CB -0.651 38.284 39.000 -0.108 0.000 0.987 227 F HN -0.019 nan 8.300 nan 0.000 0.475 228 E N -0.035 120.352 120.200 0.312 0.000 2.106 228 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 228 E C 2.247 178.913 176.600 0.110 0.000 0.984 228 E CA 0.861 57.397 56.400 0.226 0.000 0.806 228 E CB -0.350 29.463 29.700 0.189 0.000 0.750 228 E HN 0.370 nan 8.360 nan 0.000 0.458 229 L N 0.103 121.360 121.223 0.057 0.000 2.265 229 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 229 L C 1.858 178.760 176.870 0.052 0.000 1.117 229 L CA 0.896 55.753 54.840 0.029 0.000 0.782 229 L CB 0.033 42.089 42.059 -0.005 0.000 0.914 229 L HN 0.063 nan 8.230 nan 0.000 0.441 230 A N -1.877 120.976 122.820 0.056 0.000 2.348 230 A HA 0.039 4.359 4.320 -0.000 0.000 0.224 230 A C 0.376 177.998 177.584 0.064 0.000 1.227 230 A CA -0.357 51.697 52.037 0.028 0.000 0.885 230 A CB -0.224 18.744 19.000 -0.054 0.000 0.933 230 A HN 0.317 nan 8.150 nan 0.000 0.506 231 D N 0.314 120.774 120.400 0.100 0.000 2.648 231 D HA 0.254 4.894 4.640 -0.000 0.000 0.229 231 D C 1.504 177.852 176.300 0.080 0.000 1.119 231 D CA 2.059 56.124 54.000 0.108 0.000 0.850 231 D CB 0.205 41.067 40.800 0.102 0.000 1.169 231 D HN 0.621 nan 8.370 nan 0.000 0.489 232 G N 1.954 110.802 108.800 0.081 0.000 2.184 232 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.264 232 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.264 232 G C 0.681 175.629 174.900 0.080 0.000 0.975 232 G CA 0.693 45.836 45.100 0.070 0.000 0.642 232 G HN 0.897 nan 8.290 nan 0.000 0.536 233 G N -1.633 107.217 108.800 0.082 0.000 3.135 233 G HA2 0.685 4.645 3.960 -0.000 0.000 0.159 233 G HA3 0.685 4.645 3.960 -0.000 0.000 0.159 233 G C -0.617 174.330 174.900 0.078 0.000 1.244 233 G CA 0.546 45.706 45.100 0.100 0.000 0.965 233 G HN 0.704 nan 8.290 nan 0.000 0.599 234 T N 0.409 114.978 114.554 0.024 0.000 2.848 234 T HA 0.497 4.847 4.350 -0.000 0.000 0.285 234 T C -1.370 173.166 174.700 -0.274 0.000 0.995 234 T CA -0.184 61.873 62.100 -0.072 0.000 0.970 234 T CB 1.722 70.585 68.868 -0.007 0.000 0.976 234 T HN 0.402 nan 8.240 nan 0.000 0.441 235 L N 4.300 125.374 121.223 -0.248 0.000 2.298 235 L HA 0.683 5.023 4.340 -0.000 0.000 0.284 235 L C -1.430 175.276 176.870 -0.273 0.000 1.013 235 L CA -0.842 53.798 54.840 -0.333 0.000 0.824 235 L CB 0.660 42.485 42.059 -0.389 0.000 1.221 235 L HN 0.601 nan 8.230 nan 0.000 0.418 236 F N 6.589 126.202 119.950 -0.562 0.000 2.334 236 F HA 0.477 5.004 4.527 -0.000 0.000 0.367 236 F C -0.895 174.739 175.800 -0.277 0.000 1.115 236 F CA -1.261 56.487 58.000 -0.420 0.000 1.116 236 F CB 0.563 39.231 39.000 -0.554 0.000 1.230 236 F HN 0.343 nan 8.300 nan 0.000 0.484 237 L N 5.986 126.952 121.223 -0.429 0.000 2.334 237 L HA 0.205 4.545 4.340 -0.000 0.000 0.286 237 L C 0.011 176.483 176.870 -0.662 0.000 1.108 237 L CA -0.349 54.219 54.840 -0.454 0.000 0.875 237 L CB -0.155 41.788 42.059 -0.192 0.000 1.246 237 L HN 0.478 nan 8.230 nan 0.000 0.439 238 D N 2.984 122.879 120.400 -0.840 0.000 2.313 238 D HA 0.415 5.055 4.640 -0.000 0.000 0.247 238 D C 0.807 176.937 176.300 -0.285 0.000 1.094 238 D CA 0.544 54.139 54.000 -0.675 0.000 0.925 238 D CB 1.491 41.919 40.800 -0.620 0.000 1.188 238 D HN 0.605 nan 8.370 nan 0.000 0.430 239 A N 2.692 125.414 122.820 -0.165 0.000 2.826 239 A HA -0.282 4.038 4.320 -0.000 0.000 0.274 239 A C 1.620 179.183 177.584 -0.036 0.000 1.443 239 A CA 0.892 52.884 52.037 -0.075 0.000 0.833 239 A CB -2.246 16.718 19.000 -0.059 0.000 1.023 239 A HN 0.579 nan 8.150 nan 0.000 0.600 240 I N 0.062 120.609 120.570 -0.039 0.000 2.315 240 I HA -0.131 4.039 4.170 -0.000 0.000 0.251 240 I C 2.118 178.328 176.117 0.155 0.000 1.125 240 I CA 2.582 63.917 61.300 0.057 0.000 1.392 240 I CB -0.465 37.569 38.000 0.057 0.000 1.065 240 I HN 0.552 nan 8.210 nan 0.000 0.424 241 G N -0.777 108.044 108.800 0.035 0.000 2.679 241 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.212 241 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.212 241 G C 1.347 176.310 174.900 0.106 0.000 1.137 241 G CA 0.456 45.569 45.100 0.020 0.000 0.787 241 G HN 0.556 nan 8.290 nan 0.000 0.534 242 E N -0.840 119.407 120.200 0.077 0.000 2.481 242 E HA 0.185 4.535 4.350 -0.000 0.000 0.198 242 E C 0.145 176.771 176.600 0.043 0.000 1.027 242 E CA -0.684 55.746 56.400 0.049 0.000 0.900 242 E CB 0.560 30.270 29.700 0.016 0.000 0.993 242 E HN 0.224 nan 8.360 nan 0.000 0.482 243 L N 2.429 123.695 121.223 0.071 0.000 2.485 243 L HA -0.001 4.339 4.340 -0.000 0.000 0.275 243 L C 0.433 177.272 176.870 -0.051 0.000 1.207 243 L CA 0.130 54.969 54.840 -0.002 0.000 0.855 243 L CB 0.689 42.760 42.059 0.019 0.000 1.114 243 L HN -0.035 nan 8.230 nan 0.000 0.485 244 S N 4.338 119.962 115.700 -0.127 0.000 2.585 244 S HA 0.168 4.638 4.470 -0.000 0.000 0.273 244 S C 1.377 175.875 174.600 -0.171 0.000 1.339 244 S CA -0.601 57.521 58.200 -0.130 0.000 1.028 244 S CB 0.494 63.607 63.200 -0.144 0.000 0.906 244 S HN 0.682 nan 8.310 nan 0.000 0.528 245 L N 0.849 121.990 121.223 -0.137 0.000 2.079 245 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 245 L C 2.963 179.741 176.870 -0.153 0.000 1.081 245 L CA 2.028 56.777 54.840 -0.152 0.000 0.752 245 L CB -0.587 41.411 42.059 -0.102 0.000 0.896 245 L HN 0.934 nan 8.230 nan 0.000 0.433 246 E N 0.117 120.233 120.200 -0.140 0.000 2.085 246 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 246 E C 2.119 178.604 176.600 -0.191 0.000 0.994 246 E CA 1.324 57.646 56.400 -0.131 0.000 0.801 246 E CB 0.054 29.687 29.700 -0.112 0.000 0.743 246 E HN 0.498 nan 8.360 nan 0.000 0.453 247 A N 0.497 123.119 122.820 -0.329 0.000 1.930 247 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 247 A C 2.000 179.396 177.584 -0.312 0.000 1.176 247 A CA 0.908 52.590 52.037 -0.591 0.000 0.632 247 A CB -0.297 18.037 19.000 -1.110 0.000 0.819 247 A HN 0.267 nan 8.150 nan 0.000 0.445 248 Q N -0.215 119.439 119.800 -0.243 0.000 2.112 248 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 248 Q C 2.367 178.314 176.000 -0.089 0.000 0.987 248 Q CA 1.631 57.320 55.803 -0.190 0.000 0.858 248 Q CB -0.442 28.067 28.738 -0.383 0.000 0.905 248 Q HN 0.678 nan 8.270 nan 0.000 0.420 249 A N 1.557 124.326 122.820 -0.086 0.000 1.933 249 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 249 A C 1.850 179.463 177.584 0.049 0.000 1.175 249 A CA 1.464 53.486 52.037 -0.025 0.000 0.628 249 A CB -0.298 18.683 19.000 -0.032 0.000 0.814 249 A HN 0.216 nan 8.150 nan 0.000 0.444 250 K N -0.463 119.994 120.400 0.096 0.000 2.360 250 K HA 0.064 4.384 4.320 -0.000 0.000 0.201 250 K C 1.440 178.250 176.600 0.351 0.000 1.046 250 K CA 0.817 57.252 56.287 0.246 0.000 0.945 250 K CB -0.207 32.522 32.500 0.382 0.000 0.750 250 K HN 0.447 nan 8.250 nan 0.000 0.464 251 L N 0.343 121.741 121.223 0.291 0.000 2.477 251 L HA -0.023 4.317 4.340 -0.000 0.000 0.220 251 L C 1.963 178.944 176.870 0.184 0.000 1.106 251 L CA -0.102 54.928 54.840 0.316 0.000 0.851 251 L CB -0.049 42.184 42.059 0.291 0.000 0.994 251 L HN 0.122 nan 8.230 nan 0.000 0.462 252 L N 0.512 121.807 121.223 0.120 0.000 1.978 252 L HA -0.270 4.070 4.340 -0.000 0.000 0.218 252 L C 2.670 179.579 176.870 0.066 0.000 1.075 252 L CA 2.040 56.928 54.840 0.080 0.000 0.767 252 L CB -0.441 41.649 42.059 0.052 0.000 0.890 252 L HN 0.164 nan 8.230 nan 0.000 0.434 253 R N -1.480 119.044 120.500 0.041 0.000 2.148 253 R HA -0.034 4.306 4.340 -0.000 0.000 0.223 253 R C 1.977 178.278 176.300 0.001 0.000 1.088 253 R CA 1.161 57.271 56.100 0.018 0.000 0.985 253 R CB -0.362 29.940 30.300 0.002 0.000 0.880 253 R HN 0.349 nan 8.270 nan 0.000 0.451 254 V N 1.433 121.333 119.914 -0.023 0.000 2.427 254 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 254 V C 2.349 178.442 176.094 -0.002 0.000 1.051 254 V CA 1.300 63.547 62.300 -0.089 0.000 1.048 254 V CB -0.474 31.158 31.823 -0.318 0.000 0.666 254 V HN 0.193 nan 8.190 nan 0.000 0.456 255 I N 0.477 121.093 120.570 0.077 0.000 2.151 255 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 255 I C 2.479 178.657 176.117 0.102 0.000 1.080 255 I CA 2.004 63.384 61.300 0.134 0.000 1.339 255 I CB -1.032 37.052 38.000 0.140 0.000 1.039 255 I HN 0.473 nan 8.210 nan 0.000 0.409 256 E N 0.194 120.437 120.200 0.071 0.000 2.216 256 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 256 E C 2.133 178.758 176.600 0.042 0.000 0.973 256 E CA 1.005 57.440 56.400 0.058 0.000 0.851 256 E CB 0.177 29.907 29.700 0.050 0.000 0.804 256 E HN 0.478 nan 8.360 nan 0.000 0.477 257 S N -0.847 114.869 115.700 0.027 0.000 2.503 257 S HA 0.138 4.608 4.470 -0.000 0.000 0.217 257 S C 1.692 176.295 174.600 0.005 0.000 0.999 257 S CA 0.477 58.682 58.200 0.008 0.000 0.914 257 S CB 0.554 63.748 63.200 -0.010 0.000 0.782 257 S HN 0.288 nan 8.310 nan 0.000 0.520 258 G N 1.383 110.198 108.800 0.026 0.000 2.187 258 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.261 258 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.261 258 G C -0.139 174.774 174.900 0.021 0.000 1.000 258 G CA 0.686 45.819 45.100 0.054 0.000 0.718 258 G HN 0.628 nan 8.290 nan 0.000 0.519 259 K N -0.702 119.680 120.400 -0.030 0.000 2.318 259 K HA 0.791 5.111 4.320 -0.000 0.000 0.249 259 K C -0.337 176.192 176.600 -0.119 0.000 0.942 259 K CA -0.713 55.470 56.287 -0.173 0.000 0.808 259 K CB 1.916 34.296 32.500 -0.201 0.000 1.189 259 K HN 0.508 nan 8.250 nan 0.000 0.428 260 F N -1.526 118.190 119.950 -0.389 0.000 2.773 260 F HA 0.436 4.963 4.527 -0.000 0.000 0.314 260 F C -1.713 173.798 175.800 -0.481 0.000 1.160 260 F CA -1.409 56.306 58.000 -0.475 0.000 0.920 260 F CB 0.586 39.143 39.000 -0.738 0.000 1.323 260 F HN 0.291 nan 8.300 nan 0.000 0.457 261 Y N 1.203 121.459 120.300 -0.074 0.000 2.387 261 Y HA 0.627 5.177 4.550 -0.000 0.000 0.336 261 Y C 0.590 176.576 175.900 0.142 0.000 1.067 261 Y CA -0.853 57.224 58.100 -0.039 0.000 1.114 261 Y CB 1.394 39.827 38.460 -0.045 0.000 1.208 261 Y HN 0.421 nan 8.280 nan 0.000 0.458 262 R N 1.557 122.230 120.500 0.289 0.000 2.694 262 R HA 0.146 4.486 4.340 -0.000 0.000 0.268 262 R C -0.693 175.765 176.300 0.262 0.000 1.061 262 R CA -0.883 55.406 56.100 0.313 0.000 1.133 262 R CB 0.408 30.833 30.300 0.209 0.000 1.020 262 R HN 0.527 nan 8.270 nan 0.000 0.475 263 L N 2.451 123.842 121.223 0.279 0.000 2.700 263 L HA -0.035 4.305 4.340 -0.000 0.000 0.276 263 L C 1.121 178.093 176.870 0.169 0.000 1.200 263 L CA 1.994 56.967 54.840 0.222 0.000 0.951 263 L CB -0.104 42.099 42.059 0.240 0.000 1.226 263 L HN 0.953 nan 8.230 nan 0.000 0.489 264 G N 2.449 111.319 108.800 0.116 0.000 2.176 264 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.253 264 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.253 264 G C 0.499 175.439 174.900 0.066 0.000 0.979 264 G CA 0.035 45.179 45.100 0.073 0.000 0.641 264 G HN 1.203 nan 8.290 nan 0.000 0.530 265 G N -1.305 107.558 108.800 0.104 0.000 2.462 265 G HA2 0.609 4.569 3.960 -0.000 0.000 0.319 265 G HA3 0.609 4.569 3.960 -0.000 0.000 0.319 265 G C 0.425 175.407 174.900 0.137 0.000 1.171 265 G CA -0.641 44.525 45.100 0.110 0.000 0.920 265 G HN 0.160 nan 8.290 nan 0.000 0.499 266 R N -0.044 120.536 120.500 0.134 0.000 2.596 266 R HA 0.191 4.531 4.340 -0.000 0.000 0.369 266 R C -0.125 176.330 176.300 0.258 0.000 1.042 266 R CA -0.150 56.037 56.100 0.145 0.000 1.120 266 R CB 0.704 31.029 30.300 0.043 0.000 1.353 266 R HN 0.394 nan 8.270 nan 0.000 0.564 267 K N 1.267 121.795 120.400 0.213 0.000 2.358 267 K HA 0.232 4.552 4.320 -0.000 0.000 0.260 267 K C -0.312 176.153 176.600 -0.224 0.000 0.956 267 K CA -0.375 55.936 56.287 0.041 0.000 0.834 267 K CB 2.217 34.700 32.500 -0.028 0.000 1.102 267 K HN -0.048 nan 8.250 nan 0.000 0.431 268 E N 3.258 123.171 120.200 -0.479 0.000 2.415 268 E HA 0.052 4.402 4.350 -0.000 0.000 0.263 268 E C -0.544 175.695 176.600 -0.602 0.000 0.995 268 E CA 0.147 55.995 56.400 -0.920 0.000 0.915 268 E CB 0.580 29.837 29.700 -0.738 0.000 0.951 268 E HN 0.384 nan 8.360 nan 0.000 0.449 269 I N 3.378 123.483 120.570 -0.776 0.000 2.460 269 I HA 0.238 4.408 4.170 -0.000 0.000 0.298 269 I C 0.046 175.740 176.117 -0.705 0.000 0.989 269 I CA -0.428 60.447 61.300 -0.708 0.000 1.173 269 I CB 1.705 39.161 38.000 -0.906 0.000 1.338 269 I HN 0.514 nan 8.210 nan 0.000 0.456 270 E N 5.741 125.705 120.200 -0.394 0.000 2.222 270 E HA 0.649 4.999 4.350 -0.000 0.000 0.267 270 E C -1.517 175.028 176.600 -0.091 0.000 0.884 270 E CA -0.683 55.575 56.400 -0.236 0.000 0.764 270 E CB 2.258 31.862 29.700 -0.160 0.000 1.169 270 E HN 0.444 nan 8.360 nan 0.000 0.413 271 V N 1.292 121.221 119.914 0.025 0.000 3.102 271 V HA 0.637 4.757 4.120 -0.000 0.000 0.312 271 V C -1.072 175.096 176.094 0.124 0.000 1.135 271 V CA -1.093 61.281 62.300 0.123 0.000 1.022 271 V CB 1.947 33.943 31.823 0.288 0.000 1.056 271 V HN 0.726 nan 8.190 nan 0.000 0.436 272 N N 1.386 120.158 118.700 0.120 0.000 2.696 272 N HA 0.599 5.339 4.740 -0.000 0.000 0.246 272 N C -1.507 174.078 175.510 0.125 0.000 1.057 272 N CA -0.273 52.840 53.050 0.104 0.000 0.867 272 N CB 1.374 39.901 38.487 0.068 0.000 1.141 272 N HN 0.727 nan 8.380 nan 0.000 0.517 273 V N 3.235 123.245 119.914 0.160 0.000 2.540 273 V HA 0.474 4.594 4.120 -0.000 0.000 0.302 273 V C 0.108 176.277 176.094 0.124 0.000 1.035 273 V CA -0.981 61.410 62.300 0.152 0.000 0.873 273 V CB 1.617 33.577 31.823 0.228 0.000 0.992 273 V HN 0.580 nan 8.190 nan 0.000 0.428 274 R N 4.993 125.543 120.500 0.084 0.000 2.265 274 R HA 0.548 4.888 4.340 -0.000 0.000 0.314 274 R C -0.969 175.363 176.300 0.052 0.000 1.053 274 R CA -0.381 55.765 56.100 0.077 0.000 0.931 274 R CB 0.601 30.950 30.300 0.080 0.000 1.024 274 R HN 0.689 nan 8.270 nan 0.000 0.457 275 I N 6.540 127.153 120.570 0.071 0.000 2.331 275 I HA 0.232 4.402 4.170 -0.000 0.000 0.292 275 I C -0.290 175.870 176.117 0.073 0.000 0.998 275 I CA -0.619 60.716 61.300 0.058 0.000 1.267 275 I CB 1.302 39.362 38.000 0.099 0.000 1.386 275 I HN 0.485 nan 8.210 nan 0.000 0.476 276 L N 6.071 127.349 121.223 0.092 0.000 2.342 276 L HA 0.885 5.225 4.340 -0.000 0.000 0.271 276 L C -0.290 176.736 176.870 0.260 0.000 1.008 276 L CA -0.647 54.305 54.840 0.186 0.000 0.818 276 L CB 1.979 44.159 42.059 0.202 0.000 1.296 276 L HN 0.652 nan 8.230 nan 0.000 0.427 277 A N 1.604 124.567 122.820 0.238 0.000 2.486 277 A HA 0.952 5.272 4.320 -0.000 0.000 0.300 277 A C -1.271 176.426 177.584 0.188 0.000 1.048 277 A CA -0.363 51.754 52.037 0.132 0.000 0.696 277 A CB 1.943 20.978 19.000 0.058 0.000 1.278 277 A HN 0.793 nan 8.150 nan 0.000 0.405 278 A N 0.423 123.299 122.820 0.094 0.000 2.454 278 A HA 0.991 5.311 4.320 -0.000 0.000 0.302 278 A C -0.388 177.201 177.584 0.009 0.000 1.079 278 A CA -0.188 51.922 52.037 0.122 0.000 0.731 278 A CB 1.862 21.046 19.000 0.306 0.000 1.299 278 A HN 1.879 nan 8.150 nan 0.000 0.413 279 T N -0.533 114.030 114.554 0.015 0.000 2.886 279 T HA 0.415 4.765 4.350 -0.000 0.000 0.330 279 T C -0.653 174.047 174.700 -0.000 0.000 1.488 279 T CA -0.027 62.066 62.100 -0.012 0.000 1.054 279 T CB 0.915 69.754 68.868 -0.049 0.000 1.348 279 T HN 0.988 nan 8.240 nan 0.000 0.489 280 N N 1.604 120.304 118.700 0.001 0.000 2.235 280 N HA 0.201 4.941 4.740 -0.000 0.000 0.209 280 N C 0.152 175.658 175.510 -0.007 0.000 1.122 280 N CA -0.460 52.594 53.050 0.007 0.000 0.845 280 N CB 0.241 38.740 38.487 0.020 0.000 1.004 280 N HN 0.168 nan 8.380 nan 0.000 0.499 281 R N 0.528 121.013 120.500 -0.025 0.000 2.536 281 R HA 0.216 4.556 4.340 -0.000 0.000 0.279 281 R C -0.280 175.987 176.300 -0.054 0.000 1.001 281 R CA -0.674 55.404 56.100 -0.035 0.000 1.027 281 R CB 0.078 30.354 30.300 -0.040 0.000 1.096 281 R HN 0.148 nan 8.270 nan 0.000 0.502 282 N N 2.606 121.275 118.700 -0.051 0.000 2.498 282 N HA -0.035 4.705 4.740 -0.000 0.000 0.277 282 N C 0.856 176.301 175.510 -0.108 0.000 1.208 282 N CA 0.145 53.156 53.050 -0.064 0.000 1.029 282 N CB -0.024 38.435 38.487 -0.047 0.000 1.403 282 N HN 0.618 nan 8.380 nan 0.000 0.500 283 I N 2.624 123.104 120.570 -0.150 0.000 2.439 283 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 283 I C 1.725 177.658 176.117 -0.305 0.000 1.139 283 I CA 0.901 62.044 61.300 -0.262 0.000 1.438 283 I CB 0.274 38.070 38.000 -0.339 0.000 1.085 283 I HN 0.417 nan 8.210 nan 0.000 0.427 284 K N 0.266 120.512 120.400 -0.258 0.000 2.097 284 K HA -0.222 4.098 4.320 -0.000 0.000 0.205 284 K C 2.017 178.498 176.600 -0.199 0.000 1.050 284 K CA 1.299 57.406 56.287 -0.300 0.000 0.938 284 K CB -0.127 32.248 32.500 -0.209 0.000 0.718 284 K HN 0.320 nan 8.250 nan 0.000 0.442 285 E N 1.054 121.176 120.200 -0.129 0.000 2.106 285 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 285 E C 1.932 178.490 176.600 -0.069 0.000 0.984 285 E CA 0.802 57.153 56.400 -0.083 0.000 0.806 285 E CB 0.072 29.738 29.700 -0.057 0.000 0.750 285 E HN 0.247 nan 8.360 nan 0.000 0.458 286 L N 0.329 121.507 121.223 -0.075 0.000 2.083 286 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 286 L C 2.549 179.428 176.870 0.016 0.000 1.083 286 L CA 0.670 55.501 54.840 -0.014 0.000 0.752 286 L CB -0.392 41.671 42.059 0.007 0.000 0.899 286 L HN 0.084 nan 8.230 nan 0.000 0.433 287 V N 0.000 119.881 119.914 -0.055 0.000 2.295 287 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 287 V C 2.465 178.538 176.094 -0.035 0.000 1.049 287 V CA 1.756 64.031 62.300 -0.042 0.000 1.024 287 V CB -0.512 31.177 31.823 -0.224 0.000 0.648 287 V HN 0.407 nan 8.190 nan 0.000 0.447 288 K N -0.099 120.264 120.400 -0.062 0.000 2.103 288 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 288 K C 1.857 178.449 176.600 -0.012 0.000 1.048 288 K CA 1.617 57.884 56.287 -0.034 0.000 0.930 288 K CB -0.145 32.331 32.500 -0.040 0.000 0.716 288 K HN 0.557 nan 8.250 nan 0.000 0.444 289 E N -0.645 119.549 120.200 -0.010 0.000 2.489 289 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 289 E C 0.684 177.290 176.600 0.009 0.000 1.057 289 E CA 0.221 56.620 56.400 -0.001 0.000 0.866 289 E CB 0.457 30.155 29.700 -0.002 0.000 0.916 289 E HN 0.468 nan 8.360 nan 0.000 0.500 290 G N 2.048 110.858 108.800 0.016 0.000 2.166 290 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.260 290 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.260 290 G C 0.870 175.784 174.900 0.024 0.000 0.986 290 G CA 0.824 45.936 45.100 0.020 0.000 0.683 290 G HN 0.285 nan 8.290 nan 0.000 0.527 291 K N -1.401 119.025 120.400 0.044 0.000 2.418 291 K HA 0.340 4.660 4.320 -0.000 0.000 0.195 291 K C 0.232 176.897 176.600 0.107 0.000 1.035 291 K CA 0.328 56.647 56.287 0.053 0.000 1.003 291 K CB 0.387 32.919 32.500 0.053 0.000 0.793 291 K HN 0.383 nan 8.250 nan 0.000 0.494 292 F N 1.122 121.053 119.950 -0.032 0.000 2.561 292 F HA 0.295 4.822 4.527 -0.000 0.000 0.313 292 F C -0.729 175.064 175.800 -0.012 0.000 1.126 292 F CA -1.138 56.848 58.000 -0.023 0.000 0.918 292 F CB 1.261 40.242 39.000 -0.033 0.000 1.199 292 F HN -0.324 nan 8.300 nan 0.000 0.444 293 R N 4.177 124.507 120.500 -0.284 0.000 2.522 293 R HA 0.015 4.355 4.340 -0.000 0.000 0.284 293 R C 1.138 177.520 176.300 0.138 0.000 1.032 293 R CA 0.126 56.177 56.100 -0.081 0.000 1.049 293 R CB 0.578 30.781 30.300 -0.162 0.000 0.956 293 R HN 0.840 nan 8.270 nan 0.000 0.422 294 E N 2.008 122.299 120.200 0.152 0.000 2.058 294 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 294 E C 1.128 177.918 176.600 0.317 0.000 0.997 294 E CA 1.939 58.477 56.400 0.229 0.000 0.801 294 E CB 0.160 30.004 29.700 0.239 0.000 0.746 294 E HN 0.682 nan 8.360 nan 0.000 0.450 295 D N 0.321 120.861 120.400 0.234 0.000 2.219 295 D HA -0.182 4.458 4.640 -0.000 0.000 0.205 295 D C 1.945 178.366 176.300 0.203 0.000 0.970 295 D CA 0.500 54.638 54.000 0.231 0.000 0.851 295 D CB -0.319 40.566 40.800 0.141 0.000 0.943 295 D HN 0.233 nan 8.370 nan 0.000 0.488 296 L N -0.852 120.472 121.223 0.169 0.000 2.162 296 L HA 0.048 4.388 4.340 -0.000 0.000 0.205 296 L C 2.229 179.279 176.870 0.299 0.000 1.086 296 L CA 0.915 55.862 54.840 0.178 0.000 0.778 296 L CB -0.873 41.212 42.059 0.044 0.000 0.928 296 L HN 0.028 nan 8.230 nan 0.000 0.446 297 Y N -0.347 120.110 120.300 0.261 0.000 2.114 297 Y HA -0.345 4.205 4.550 -0.000 0.000 0.282 297 Y C 2.099 177.963 175.900 -0.061 0.000 1.165 297 Y CA 2.202 60.350 58.100 0.080 0.000 1.148 297 Y CB -0.766 37.635 38.460 -0.100 0.000 0.972 297 Y HN 0.297 nan 8.280 nan 0.000 0.504 298 Y N -0.180 120.114 120.300 -0.010 0.000 2.497 298 Y HA -0.099 4.451 4.550 -0.000 0.000 0.292 298 Y C 2.413 178.260 175.900 -0.088 0.000 1.137 298 Y CA 1.054 59.074 58.100 -0.133 0.000 1.285 298 Y CB -0.133 38.343 38.460 0.026 0.000 0.991 298 Y HN 0.062 nan 8.280 nan 0.000 0.556 299 R N -0.637 119.922 120.500 0.097 0.000 2.127 299 R HA 0.017 4.357 4.340 -0.000 0.000 0.217 299 R C 1.863 178.187 176.300 0.040 0.000 1.074 299 R CA 0.777 56.926 56.100 0.082 0.000 0.991 299 R CB -0.088 30.276 30.300 0.107 0.000 0.895 299 R HN 0.326 nan 8.270 nan 0.000 0.450 300 L N -0.949 120.281 121.223 0.011 0.000 2.162 300 L HA 0.109 4.449 4.340 -0.000 0.000 0.205 300 L C 1.566 178.397 176.870 -0.066 0.000 1.086 300 L CA 0.672 55.520 54.840 0.012 0.000 0.778 300 L CB -0.077 42.021 42.059 0.065 0.000 0.928 300 L HN 0.224 nan 8.230 nan 0.000 0.446 301 G N -0.647 108.019 108.800 -0.224 0.000 3.709 301 G HA2 0.295 4.255 3.960 -0.000 0.000 0.272 301 G HA3 0.295 4.255 3.960 -0.000 0.000 0.272 301 G C 1.028 175.837 174.900 -0.152 0.000 1.259 301 G CA -0.251 44.695 45.100 -0.257 0.000 1.512 301 G HN -0.007 nan 8.290 nan 0.000 0.625 302 V N 0.788 120.665 119.914 -0.061 0.000 2.261 302 V HA -0.036 4.084 4.120 -0.000 0.000 0.246 302 V C 1.222 177.311 176.094 -0.009 0.000 1.047 302 V CA 1.066 63.357 62.300 -0.016 0.000 1.015 302 V CB -0.245 31.583 31.823 0.008 0.000 0.642 302 V HN 0.359 nan 8.190 nan 0.000 0.446 303 I N 0.747 121.314 120.570 -0.005 0.000 2.377 303 I HA 0.409 4.579 4.170 -0.000 0.000 0.293 303 I C -0.207 175.909 176.117 -0.001 0.000 0.987 303 I CA -0.247 61.055 61.300 0.002 0.000 1.185 303 I CB 1.215 39.221 38.000 0.010 0.000 1.341 303 I HN 0.359 nan 8.210 nan 0.000 0.455 304 E N 6.832 127.036 120.200 0.006 0.000 2.155 304 E HA 0.525 4.875 4.350 -0.000 0.000 0.264 304 E C -0.906 175.707 176.600 0.023 0.000 0.886 304 E CA -0.460 55.948 56.400 0.014 0.000 0.752 304 E CB 2.493 32.207 29.700 0.024 0.000 1.133 304 E HN 0.417 nan 8.360 nan 0.000 0.414 305 I N 3.122 123.708 120.570 0.026 0.000 2.359 305 I HA 0.135 4.305 4.170 -0.000 0.000 0.284 305 I C -0.192 175.945 176.117 0.033 0.000 1.018 305 I CA -0.358 60.959 61.300 0.028 0.000 1.173 305 I CB 1.046 39.061 38.000 0.026 0.000 1.326 305 I HN 0.326 nan 8.210 nan 0.000 0.462 306 E N 7.686 127.905 120.200 0.032 0.000 2.055 306 E HA 0.420 4.770 4.350 -0.000 0.000 0.274 306 E C -0.641 175.979 176.600 0.034 0.000 0.949 306 E CA -0.457 55.962 56.400 0.032 0.000 0.775 306 E CB 1.607 31.325 29.700 0.030 0.000 1.097 306 E HN 0.506 nan 8.360 nan 0.000 0.404 307 I N 4.993 125.585 120.570 0.036 0.000 2.352 307 I HA 0.189 4.359 4.170 -0.000 0.000 0.290 307 I C -2.056 174.082 176.117 0.035 0.000 1.036 307 I CA -2.060 59.263 61.300 0.039 0.000 1.336 307 I CB 0.430 38.453 38.000 0.039 0.000 1.407 307 I HN 0.175 nan 8.210 nan 0.000 0.497 308 P HA 0.284 nan 4.420 nan 0.000 0.276 308 P C -2.528 174.793 177.300 0.036 0.000 1.244 308 P CA -1.483 61.637 63.100 0.034 0.000 0.801 308 P CB -0.095 31.624 31.700 0.032 0.000 1.006 309 P HA 0.035 nan 4.420 nan 0.000 0.270 309 P C 0.800 178.130 177.300 0.050 0.000 1.223 309 P CA -0.254 62.880 63.100 0.056 0.000 0.785 309 P CB 0.353 32.096 31.700 0.070 0.000 0.923 310 L N 2.608 123.866 121.223 0.058 0.000 2.127 310 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 310 L C 2.320 179.240 176.870 0.085 0.000 1.089 310 L CA 1.727 56.593 54.840 0.043 0.000 0.757 310 L CB -0.970 41.094 42.059 0.009 0.000 0.899 310 L HN 0.360 nan 8.230 nan 0.000 0.434 311 R N -0.486 120.076 120.500 0.103 0.000 2.293 311 R HA -0.111 4.229 4.340 -0.000 0.000 0.219 311 R C 0.799 177.129 176.300 0.050 0.000 1.091 311 R CA 1.529 57.678 56.100 0.081 0.000 1.004 311 R CB -0.475 29.830 30.300 0.009 0.000 0.865 311 R HN 0.494 nan 8.270 nan 0.000 0.469 312 E N 0.546 120.772 120.200 0.044 0.000 2.558 312 E HA 0.163 4.513 4.350 -0.000 0.000 0.205 312 E C -0.236 176.382 176.600 0.030 0.000 1.006 312 E CA -0.171 56.249 56.400 0.033 0.000 0.961 312 E CB 0.793 30.512 29.700 0.031 0.000 1.044 312 E HN 0.250 nan 8.360 nan 0.000 0.465 313 R N 0.527 121.046 120.500 0.031 0.000 2.688 313 R HA 0.197 4.537 4.340 -0.000 0.000 0.396 313 R C 0.855 177.165 176.300 0.017 0.000 1.081 313 R CA -0.136 55.975 56.100 0.019 0.000 1.093 313 R CB 0.381 30.685 30.300 0.006 0.000 1.338 313 R HN -0.079 nan 8.270 nan 0.000 0.613 314 K N 0.756 121.174 120.400 0.030 0.000 2.218 314 K HA -0.208 4.112 4.320 -0.000 0.000 0.205 314 K C 0.721 177.331 176.600 0.018 0.000 1.046 314 K CA 1.472 57.781 56.287 0.037 0.000 0.933 314 K CB 0.231 32.757 32.500 0.042 0.000 0.728 314 K HN 0.232 nan 8.250 nan 0.000 0.454 315 E N 0.877 121.083 120.200 0.009 0.000 2.333 315 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 315 E C 1.279 177.868 176.600 -0.018 0.000 1.007 315 E CA 0.941 57.342 56.400 0.001 0.000 0.845 315 E CB 0.002 29.705 29.700 0.005 0.000 0.766 315 E HN 0.242 nan 8.360 nan 0.000 0.507 316 D N -0.249 120.132 120.400 -0.032 0.000 2.271 316 D HA 0.030 4.670 4.640 -0.000 0.000 0.206 316 D C 1.839 178.083 176.300 -0.093 0.000 0.967 316 D CA 0.286 54.243 54.000 -0.072 0.000 0.867 316 D CB 0.111 40.857 40.800 -0.090 0.000 0.960 316 D HN 0.200 nan 8.370 nan 0.000 0.509 317 I N 1.213 121.743 120.570 -0.067 0.000 2.069 317 I HA -0.281 3.889 4.170 -0.000 0.000 0.237 317 I C 2.231 178.292 176.117 -0.092 0.000 1.053 317 I CA 0.874 62.123 61.300 -0.086 0.000 1.311 317 I CB -0.198 37.806 38.000 0.007 0.000 1.030 317 I HN -0.016 nan 8.210 nan 0.000 0.398 318 I N 0.608 121.144 120.570 -0.057 0.000 2.179 318 I HA -0.157 4.013 4.170 -0.000 0.000 0.242 318 I C -0.121 175.973 176.117 -0.038 0.000 1.088 318 I CA 1.894 63.162 61.300 -0.055 0.000 1.357 318 I CB -2.956 35.033 38.000 -0.018 0.000 1.051 318 I HN 0.149 nan 8.210 nan 0.000 0.409 319 P HA -0.111 nan 4.420 nan 0.000 0.216 319 P C 2.341 179.562 177.300 -0.131 0.000 1.150 319 P CA 1.247 64.308 63.100 -0.066 0.000 0.837 319 P CB 0.014 31.666 31.700 -0.079 0.000 0.786 320 L N -0.805 120.302 121.223 -0.193 0.000 1.994 320 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 320 L C 2.553 179.247 176.870 -0.293 0.000 1.071 320 L CA 1.797 56.431 54.840 -0.344 0.000 0.745 320 L CB -1.329 40.572 42.059 -0.263 0.000 0.892 320 L HN -0.059 nan 8.230 nan 0.000 0.431 321 A N 0.145 122.926 122.820 -0.066 0.000 1.917 321 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 321 A C 2.070 179.825 177.584 0.285 0.000 1.182 321 A CA 2.193 54.309 52.037 0.132 0.000 0.633 321 A CB -0.699 18.232 19.000 -0.115 0.000 0.819 321 A HN 0.479 nan 8.150 nan 0.000 0.448 322 N N -0.913 117.907 118.700 0.199 0.000 2.084 322 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 322 N C 1.746 177.270 175.510 0.024 0.000 1.030 322 N CA 1.534 54.694 53.050 0.185 0.000 0.849 322 N CB -0.763 37.795 38.487 0.118 0.000 1.012 322 N HN 0.771 nan 8.380 nan 0.000 0.423 323 H N -0.083 118.861 119.070 -0.210 0.000 2.352 323 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 323 H C 1.481 176.607 175.328 -0.337 0.000 1.097 323 H CA 1.518 57.359 56.048 -0.343 0.000 1.311 323 H CB -0.081 29.366 29.762 -0.525 0.000 1.377 323 H HN 0.105 nan 8.280 nan 0.000 0.504 324 F N 0.667 120.522 119.950 -0.158 0.000 2.163 324 F HA -0.093 4.434 4.527 -0.000 0.000 0.297 324 F C 2.897 178.551 175.800 -0.244 0.000 1.094 324 F CA 0.556 58.360 58.000 -0.327 0.000 1.290 324 F CB -1.085 37.896 39.000 -0.033 0.000 1.017 324 F HN 0.114 nan 8.300 nan 0.000 0.483 325 L N 0.239 121.551 121.223 0.148 0.000 2.043 325 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 325 L C 2.570 179.398 176.870 -0.071 0.000 1.075 325 L CA 1.753 56.632 54.840 0.064 0.000 0.752 325 L CB -0.372 41.664 42.059 -0.038 0.000 0.891 325 L HN 0.130 nan 8.230 nan 0.000 0.432 326 K N 0.010 120.322 120.400 -0.146 0.000 2.025 326 K HA -0.273 4.047 4.320 -0.000 0.000 0.207 326 K C 2.287 178.741 176.600 -0.243 0.000 1.049 326 K CA 1.848 58.024 56.287 -0.185 0.000 0.933 326 K CB -0.104 32.281 32.500 -0.191 0.000 0.714 326 K HN 0.242 nan 8.250 nan 0.000 0.438 327 K N -0.259 119.904 120.400 -0.395 0.000 2.009 327 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 327 K C 1.892 178.253 176.600 -0.397 0.000 1.049 327 K CA 1.796 57.789 56.287 -0.489 0.000 0.929 327 K CB -0.188 31.868 32.500 -0.740 0.000 0.714 327 K HN 0.044 nan 8.250 nan 0.000 0.440 328 F N 0.853 120.707 119.950 -0.160 0.000 2.259 328 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 328 F C 2.828 178.523 175.800 -0.176 0.000 1.088 328 F CA 0.862 58.730 58.000 -0.221 0.000 1.358 328 F CB -0.992 37.982 39.000 -0.043 0.000 1.040 328 F HN 0.092 nan 8.300 nan 0.000 0.505 329 S N -0.073 115.656 115.700 0.049 0.000 2.368 329 S HA -0.216 4.254 4.470 -0.000 0.000 0.225 329 S C 2.392 176.969 174.600 -0.038 0.000 1.030 329 S CA 1.383 59.587 58.200 0.007 0.000 0.999 329 S CB -0.197 62.971 63.200 -0.054 0.000 0.844 329 S HN 0.346 nan 8.310 nan 0.000 0.459 330 R N 0.940 121.384 120.500 -0.092 0.000 2.070 330 R HA -0.095 4.245 4.340 -0.000 0.000 0.233 330 R C 2.450 178.681 176.300 -0.115 0.000 1.137 330 R CA 1.903 57.941 56.100 -0.102 0.000 0.945 330 R CB -0.444 29.779 30.300 -0.129 0.000 0.845 330 R HN 0.360 nan 8.270 nan 0.000 0.430 331 K N -0.526 119.753 120.400 -0.201 0.000 2.074 331 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 331 K C 0.828 177.269 176.600 -0.266 0.000 1.048 331 K CA 1.734 57.836 56.287 -0.310 0.000 0.926 331 K CB -0.095 32.093 32.500 -0.520 0.000 0.713 331 K HN 0.284 nan 8.250 nan 0.000 0.444 332 Y N -0.241 120.078 120.300 0.031 0.000 2.571 332 Y HA 0.417 4.967 4.550 -0.000 0.000 0.275 332 Y C 0.198 176.094 175.900 -0.008 0.000 1.179 332 Y CA -0.439 57.664 58.100 0.005 0.000 1.242 332 Y CB 0.034 38.486 38.460 -0.012 0.000 1.126 332 Y HN 0.180 nan 8.280 nan 0.000 0.524 333 A N 0.527 123.398 122.820 0.085 0.000 2.466 333 A HA -0.219 4.101 4.320 -0.000 0.000 0.295 333 A C 0.210 177.818 177.584 0.041 0.000 1.465 333 A CA 0.713 52.775 52.037 0.041 0.000 0.744 333 A CB -1.629 17.394 19.000 0.037 0.000 1.098 333 A HN 0.256 nan 8.150 nan 0.000 0.402 334 K N -0.339 120.082 120.400 0.035 0.000 2.306 334 K HA 0.466 4.786 4.320 -0.000 0.000 0.236 334 K C 0.931 177.514 176.600 -0.028 0.000 1.013 334 K CA -0.041 56.255 56.287 0.014 0.000 0.857 334 K CB 1.201 33.722 32.500 0.035 0.000 1.214 334 K HN 0.654 nan 8.250 nan 0.000 0.449 335 E N -0.379 119.793 120.200 -0.046 0.000 2.451 335 E HA 0.107 4.457 4.350 -0.000 0.000 0.194 335 E C -0.173 176.340 176.600 -0.145 0.000 1.027 335 E CA -0.270 56.081 56.400 -0.081 0.000 0.914 335 E CB 0.216 29.879 29.700 -0.062 0.000 1.054 335 E HN 0.106 nan 8.360 nan 0.000 0.461 336 V N 1.301 121.126 119.914 -0.149 0.000 2.715 336 V HA 0.059 4.179 4.120 -0.000 0.000 0.299 336 V C 0.868 176.776 176.094 -0.309 0.000 1.054 336 V CA 0.101 62.257 62.300 -0.240 0.000 1.077 336 V CB 1.154 32.861 31.823 -0.193 0.000 0.972 336 V HN 0.293 nan 8.190 nan 0.000 0.484 337 E N 1.647 121.550 120.200 -0.494 0.000 2.467 337 E HA 0.401 4.751 4.350 -0.000 0.000 0.213 337 E C 0.682 177.025 176.600 -0.429 0.000 0.823 337 E CA 0.580 56.698 56.400 -0.471 0.000 1.233 337 E CB 1.505 30.826 29.700 -0.632 0.000 1.233 337 E HN 0.940 nan 8.360 nan 0.000 0.585 338 G N 0.064 108.542 108.800 -0.536 0.000 2.488 338 G HA2 0.438 4.398 3.960 -0.000 0.000 0.301 338 G HA3 0.438 4.398 3.960 -0.000 0.000 0.301 338 G C -1.791 172.982 174.900 -0.211 0.000 1.339 338 G CA -0.929 44.017 45.100 -0.258 0.000 0.803 338 G HN -0.021 nan 8.290 nan 0.000 0.482 339 F N 0.840 120.942 119.950 0.253 0.000 2.492 339 F HA 0.602 5.129 4.527 -0.000 0.000 0.327 339 F C 1.311 177.238 175.800 0.211 0.000 1.079 339 F CA -0.374 57.761 58.000 0.225 0.000 0.967 339 F CB 2.178 41.264 39.000 0.143 0.000 1.169 339 F HN 0.600 nan 8.300 nan 0.000 0.472 340 T N -1.573 113.178 114.554 0.327 0.000 2.748 340 T HA 0.101 4.451 4.350 -0.000 0.000 0.304 340 T C 1.104 175.889 174.700 0.141 0.000 1.041 340 T CA -0.542 61.645 62.100 0.145 0.000 1.033 340 T CB 0.879 69.799 68.868 0.087 0.000 0.995 340 T HN 0.614 nan 8.240 nan 0.000 0.536 341 K N 0.260 120.701 120.400 0.068 0.000 2.148 341 K HA 0.012 4.332 4.320 -0.000 0.000 0.204 341 K C 2.597 179.230 176.600 0.054 0.000 1.050 341 K CA 1.373 57.694 56.287 0.057 0.000 0.942 341 K CB -0.823 31.692 32.500 0.026 0.000 0.724 341 K HN 0.619 nan 8.250 nan 0.000 0.446 342 S N -0.579 115.153 115.700 0.053 0.000 2.368 342 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 342 S C 1.884 176.519 174.600 0.058 0.000 1.029 342 S CA 1.157 59.385 58.200 0.046 0.000 0.988 342 S CB -0.343 62.882 63.200 0.042 0.000 0.838 342 S HN 0.430 nan 8.310 nan 0.000 0.462 343 A N 0.880 123.757 122.820 0.096 0.000 1.898 343 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 343 A C 2.066 179.668 177.584 0.030 0.000 1.181 343 A CA 1.557 53.658 52.037 0.105 0.000 0.620 343 A CB -0.734 18.410 19.000 0.241 0.000 0.819 343 A HN 0.675 nan 8.150 nan 0.000 0.442 344 Q N -0.538 119.282 119.800 0.034 0.000 2.170 344 Q HA -0.209 4.131 4.340 -0.000 0.000 0.203 344 Q C 1.935 177.935 176.000 -0.000 0.000 0.976 344 Q CA 1.612 57.399 55.803 -0.027 0.000 0.858 344 Q CB -0.184 28.567 28.738 0.020 0.000 0.907 344 Q HN 0.770 nan 8.270 nan 0.000 0.433 345 E N 0.302 120.514 120.200 0.019 0.000 2.077 345 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 345 E C 1.889 178.501 176.600 0.020 0.000 0.989 345 E CA 0.690 57.102 56.400 0.021 0.000 0.800 345 E CB -0.029 29.683 29.700 0.020 0.000 0.746 345 E HN 0.152 nan 8.360 nan 0.000 0.452 346 L N 1.079 122.311 121.223 0.014 0.000 2.017 346 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 346 L C 2.022 178.903 176.870 0.019 0.000 1.073 346 L CA 1.589 56.430 54.840 0.001 0.000 0.745 346 L CB -0.576 41.475 42.059 -0.013 0.000 0.894 346 L HN 0.147 nan 8.230 nan 0.000 0.432 347 L N -1.207 120.047 121.223 0.051 0.000 2.081 347 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 347 L C 2.472 179.516 176.870 0.290 0.000 1.080 347 L CA 1.289 56.256 54.840 0.211 0.000 0.754 347 L CB -0.580 41.528 42.059 0.081 0.000 0.893 347 L HN 0.318 nan 8.230 nan 0.000 0.433 348 L N -0.819 120.488 121.223 0.141 0.000 2.313 348 L HA -0.081 4.259 4.340 -0.000 0.000 0.214 348 L C 2.547 179.473 176.870 0.094 0.000 1.119 348 L CA 1.039 55.959 54.840 0.134 0.000 0.809 348 L CB -0.228 41.873 42.059 0.069 0.000 0.933 348 L HN 0.346 nan 8.230 nan 0.000 0.449 349 S N -2.127 113.600 115.700 0.045 0.000 2.503 349 S HA -0.034 4.436 4.470 -0.000 0.000 0.215 349 S C 0.599 175.147 174.600 -0.086 0.000 1.003 349 S CA -0.356 57.837 58.200 -0.011 0.000 0.910 349 S CB -0.265 62.929 63.200 -0.009 0.000 0.790 349 S HN 0.243 nan 8.310 nan 0.000 0.514 350 Y N 4.273 124.382 120.300 -0.319 0.000 2.425 350 Y HA 0.341 4.891 4.550 -0.000 0.000 0.331 350 Y C -1.997 173.470 175.900 -0.723 0.000 1.157 350 Y CA -1.922 55.807 58.100 -0.619 0.000 1.372 350 Y CB 0.844 38.708 38.460 -0.994 0.000 1.253 350 Y HN 0.043 nan 8.280 nan 0.000 0.536 351 P HA -0.118 nan 4.420 nan 0.000 0.221 351 P C -0.867 175.979 177.300 -0.758 0.000 1.150 351 P CA 1.413 63.939 63.100 -0.958 0.000 0.800 351 P CB -0.041 30.816 31.700 -1.406 0.000 0.787 352 W N -3.265 117.565 121.300 -0.783 0.000 5.822 352 W HA -0.201 4.459 4.660 -0.000 0.000 0.422 352 W C 0.366 176.760 176.519 -0.208 0.000 1.673 352 W CA -0.508 56.689 57.345 -0.246 0.000 0.989 352 W CB -3.082 26.359 29.460 -0.031 0.000 2.899 352 W HN 0.164 nan 8.180 nan 0.000 1.375 353 Y N -0.208 120.129 120.300 0.061 0.000 2.421 353 Y HA -0.073 4.477 4.550 -0.000 0.000 0.292 353 Y C 2.313 178.279 175.900 0.110 0.000 1.136 353 Y CA 0.890 59.020 58.100 0.049 0.000 1.255 353 Y CB -0.143 38.306 38.460 -0.017 0.000 0.991 353 Y HN 0.358 nan 8.280 nan 0.000 0.552 354 G N -0.916 108.071 108.800 0.311 0.000 3.189 354 G HA2 0.047 4.007 3.960 -0.000 0.000 0.225 354 G HA3 0.047 4.007 3.960 -0.000 0.000 0.225 354 G C 0.203 175.218 174.900 0.192 0.000 1.159 354 G CA -0.028 45.209 45.100 0.230 0.000 0.763 354 G HN 0.291 nan 8.290 nan 0.000 0.549 355 N N -0.558 118.275 118.700 0.223 0.000 1.175 355 N HA -0.265 4.475 4.740 -0.000 0.000 0.114 355 N C 1.581 177.094 175.510 0.005 0.000 0.804 355 N CA 1.628 54.753 53.050 0.124 0.000 0.858 355 N CB -1.090 37.449 38.487 0.087 0.000 1.032 355 N HN -0.037 nan 8.380 nan 0.000 0.617 356 V N 1.837 121.737 119.914 -0.023 0.000 2.392 356 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 356 V C 2.727 178.798 176.094 -0.037 0.000 1.059 356 V CA 2.574 64.850 62.300 -0.040 0.000 1.051 356 V CB -0.625 31.207 31.823 0.015 0.000 0.658 356 V HN 0.504 nan 8.190 nan 0.000 0.455 357 R N 0.240 120.737 120.500 -0.004 0.000 2.075 357 R HA -0.208 4.132 4.340 -0.000 0.000 0.232 357 R C 2.392 178.685 176.300 -0.011 0.000 1.126 357 R CA 1.975 58.065 56.100 -0.017 0.000 0.963 357 R CB -0.267 30.047 30.300 0.023 0.000 0.858 357 R HN 0.653 nan 8.270 nan 0.000 0.435 358 E N 0.256 120.503 120.200 0.078 0.000 2.085 358 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 358 E C 1.991 178.663 176.600 0.121 0.000 0.994 358 E CA 1.270 57.786 56.400 0.194 0.000 0.801 358 E CB -0.076 29.882 29.700 0.429 0.000 0.743 358 E HN 0.275 nan 8.360 nan 0.000 0.453 359 L N 1.779 122.881 121.223 -0.202 0.000 1.994 359 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 359 L C 2.327 179.070 176.870 -0.212 0.000 1.071 359 L CA 2.191 56.695 54.840 -0.560 0.000 0.745 359 L CB -0.635 40.928 42.059 -0.827 0.000 0.892 359 L HN -0.005 nan 8.230 nan 0.000 0.431 360 K N -0.750 119.439 120.400 -0.351 0.000 2.113 360 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 360 K C 1.858 178.311 176.600 -0.245 0.000 1.047 360 K CA 1.786 57.654 56.287 -0.699 0.000 0.928 360 K CB -0.115 31.773 32.500 -1.020 0.000 0.716 360 K HN 0.442 nan 8.250 nan 0.000 0.446 361 N N 0.288 118.908 118.700 -0.133 0.000 2.106 361 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 361 N C 1.801 177.278 175.510 -0.056 0.000 1.029 361 N CA 1.253 54.249 53.050 -0.089 0.000 0.848 361 N CB -0.392 38.085 38.487 -0.017 0.000 1.007 361 N HN 0.000 nan 8.380 nan 0.000 0.423 362 V N 1.753 121.694 119.914 0.045 0.000 2.343 362 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 362 V C 2.146 178.294 176.094 0.089 0.000 1.051 362 V CA 1.090 63.449 62.300 0.098 0.000 1.036 362 V CB -0.374 31.594 31.823 0.242 0.000 0.654 362 V HN 0.185 nan 8.190 nan 0.000 0.451 363 I N 0.011 120.662 120.570 0.134 0.000 2.252 363 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 363 I C 2.483 178.657 176.117 0.095 0.000 1.102 363 I CA 1.403 62.848 61.300 0.242 0.000 1.385 363 I CB -1.280 36.986 38.000 0.444 0.000 1.064 363 I HN 0.468 nan 8.210 nan 0.000 0.414 364 E N 0.997 121.109 120.200 -0.147 0.000 2.118 364 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 364 E C 2.375 178.695 176.600 -0.467 0.000 0.992 364 E CA 1.225 57.232 56.400 -0.655 0.000 0.804 364 E CB 0.106 29.157 29.700 -1.082 0.000 0.741 364 E HN 0.407 nan 8.360 nan 0.000 0.458 365 R N -0.037 120.239 120.500 -0.374 0.000 2.066 365 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 365 R C 2.485 178.483 176.300 -0.502 0.000 1.131 365 R CA 1.128 56.888 56.100 -0.567 0.000 0.955 365 R CB -0.380 29.768 30.300 -0.253 0.000 0.851 365 R HN 0.146 nan 8.270 nan 0.000 0.432 366 A N 0.838 123.574 122.820 -0.140 0.000 1.908 366 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 366 A C 2.394 179.953 177.584 -0.041 0.000 1.181 366 A CA 1.631 53.670 52.037 0.004 0.000 0.627 366 A CB -0.663 18.421 19.000 0.141 0.000 0.818 366 A HN 0.129 nan 8.150 nan 0.000 0.445 367 V N -0.116 119.762 119.914 -0.059 0.000 2.295 367 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 367 V C 2.559 178.598 176.094 -0.092 0.000 1.049 367 V CA 1.994 64.278 62.300 -0.025 0.000 1.024 367 V CB -0.725 31.156 31.823 0.098 0.000 0.648 367 V HN 0.572 nan 8.190 nan 0.000 0.447 368 L N -1.214 119.834 121.223 -0.292 0.000 2.131 368 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 368 L C 1.993 178.774 176.870 -0.148 0.000 1.092 368 L CA 1.380 55.993 54.840 -0.379 0.000 0.759 368 L CB -0.381 41.257 42.059 -0.702 0.000 0.903 368 L HN 0.305 nan 8.230 nan 0.000 0.435 369 F N -0.991 118.924 119.950 -0.058 0.000 2.727 369 F HA 0.141 4.668 4.527 -0.000 0.000 0.302 369 F C 1.591 177.380 175.800 -0.018 0.000 1.097 369 F CA -0.984 56.992 58.000 -0.040 0.000 1.330 369 F CB -1.073 37.908 39.000 -0.032 0.000 1.084 369 F HN -0.063 nan 8.300 nan 0.000 0.578 370 S N -0.009 115.762 115.700 0.118 0.000 2.585 370 S HA 0.240 4.710 4.470 -0.000 0.000 0.273 370 S C 0.891 175.525 174.600 0.056 0.000 1.339 370 S CA -0.414 57.831 58.200 0.074 0.000 1.028 370 S CB 1.805 65.019 63.200 0.023 0.000 0.906 370 S HN 0.182 nan 8.310 nan 0.000 0.528 371 E N 1.944 122.172 120.200 0.048 0.000 2.378 371 E HA 0.223 4.573 4.350 -0.000 0.000 0.200 371 E C 1.455 178.070 176.600 0.025 0.000 0.882 371 E CA 0.709 57.130 56.400 0.035 0.000 1.061 371 E CB -1.030 28.693 29.700 0.038 0.000 1.049 371 E HN 0.762 nan 8.360 nan 0.000 0.494 372 G N 1.389 110.212 108.800 0.038 0.000 2.393 372 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.268 372 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.268 372 G C 0.760 175.657 174.900 -0.006 0.000 1.472 372 G CA -0.069 45.060 45.100 0.048 0.000 1.059 372 G HN 0.016 nan 8.290 nan 0.000 0.555 373 K N -1.279 119.118 120.400 -0.005 0.000 2.354 373 K HA 0.239 4.559 4.320 -0.000 0.000 0.194 373 K C -0.612 175.650 176.600 -0.564 0.000 1.038 373 K CA 0.129 56.266 56.287 -0.250 0.000 1.052 373 K CB 0.394 32.755 32.500 -0.231 0.000 0.861 373 K HN 0.270 nan 8.250 nan 0.000 0.535 374 F N 0.319 120.243 119.950 -0.043 0.000 2.576 374 F HA 0.421 4.948 4.527 -0.000 0.000 0.313 374 F C -0.105 175.672 175.800 -0.038 0.000 1.078 374 F CA -1.053 56.913 58.000 -0.058 0.000 0.921 374 F CB 1.365 40.354 39.000 -0.018 0.000 1.232 374 F HN -0.290 nan 8.300 nan 0.000 0.459 375 I N 2.348 122.983 120.570 0.109 0.000 2.315 375 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 375 I C -0.379 175.877 176.117 0.232 0.000 1.006 375 I CA -0.189 61.193 61.300 0.137 0.000 1.265 375 I CB 0.790 38.848 38.000 0.097 0.000 1.387 375 I HN 0.508 nan 8.210 nan 0.000 0.475 376 D N 4.257 124.763 120.400 0.177 0.000 2.387 376 D HA 0.206 4.846 4.640 -0.000 0.000 0.255 376 D C 1.190 177.572 176.300 0.136 0.000 1.081 376 D CA -0.478 53.611 54.000 0.148 0.000 0.994 376 D CB 1.260 42.120 40.800 0.101 0.000 1.127 376 D HN 0.368 nan 8.370 nan 0.000 0.513 377 R N 0.610 121.172 120.500 0.102 0.000 2.117 377 R HA -0.141 4.199 4.340 -0.000 0.000 0.243 377 R C 1.810 178.146 176.300 0.060 0.000 1.143 377 R CA 1.997 58.142 56.100 0.075 0.000 0.968 377 R CB -0.628 29.702 30.300 0.050 0.000 0.863 377 R HN 0.556 nan 8.270 nan 0.000 0.444 378 G N 0.431 109.266 108.800 0.058 0.000 2.418 378 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 378 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 378 G C 1.055 175.988 174.900 0.055 0.000 1.158 378 G CA 0.862 45.989 45.100 0.045 0.000 0.771 378 G HN 0.473 nan 8.290 nan 0.000 0.545 379 E N -0.095 120.152 120.200 0.079 0.000 2.204 379 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 379 E C 2.471 179.133 176.600 0.104 0.000 0.989 379 E CA 0.313 56.772 56.400 0.098 0.000 0.824 379 E CB -0.085 29.688 29.700 0.121 0.000 0.756 379 E HN 0.386 nan 8.360 nan 0.000 0.477 380 L N 0.109 121.389 121.223 0.095 0.000 2.102 380 L HA -0.075 4.265 4.340 -0.000 0.000 0.202 380 L C 2.633 179.502 176.870 -0.001 0.000 1.076 380 L CA 0.562 55.442 54.840 0.066 0.000 0.761 380 L CB -0.318 41.782 42.059 0.069 0.000 0.921 380 L HN 0.111 nan 8.230 nan 0.000 0.444 381 S N -0.010 115.689 115.700 -0.003 0.000 2.387 381 S HA -0.240 4.230 4.470 -0.000 0.000 0.230 381 S C 2.024 176.611 174.600 -0.021 0.000 1.035 381 S CA 1.705 59.889 58.200 -0.027 0.000 1.014 381 S CB -0.349 62.847 63.200 -0.006 0.000 0.836 381 S HN 0.684 nan 8.310 nan 0.000 0.466 382 C N 0.159 119.461 119.300 0.004 0.000 2.576 382 C HA 0.457 4.917 4.460 -0.000 0.000 0.267 382 C C 1.736 176.738 174.990 0.020 0.000 1.364 382 C CA -0.499 58.524 59.018 0.008 0.000 1.723 382 C CB -1.653 26.093 27.740 0.011 0.000 1.778 382 C HN 0.540 nan 8.230 nan 0.000 0.572 383 L N 0.978 122.210 121.223 0.016 0.000 2.638 383 L HA 0.267 4.607 4.340 -0.000 0.000 0.232 383 L C 1.036 177.882 176.870 -0.040 0.000 1.099 383 L CA 0.166 55.024 54.840 0.030 0.000 0.883 383 L CB 0.175 42.276 42.059 0.070 0.000 1.136 383 L HN 0.441 nan 8.230 nan 0.000 0.492 384 V N 0.000 119.840 119.914 -0.123 0.000 2.409 384 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 384 V CA 0.000 62.150 62.300 -0.251 0.000 1.235 384 V CB 0.000 31.371 31.823 -0.754 0.000 1.184 384 V HN 0.000 nan 8.190 nan 0.000 0.556