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 2hrd_1_D DATA FIRST_RESID 3004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAXX XXXXESHAVK IVVEAARRLL 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 3004 S HA 0.000 nan 4.470 nan 0.000 0.327 3004 S C 0.000 174.594 174.600 -0.009 0.000 1.055 3004 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 3004 S CB 0.000 63.185 63.200 -0.024 0.000 0.593 3005 D N 0.259 120.658 120.400 -0.002 0.000 2.212 3005 D HA 0.106 4.760 4.640 0.023 0.000 0.311 3005 D C 0.661 176.980 176.300 0.031 0.000 1.091 3005 D CA -0.031 53.976 54.000 0.012 0.000 0.910 3005 D CB -0.275 40.535 40.800 0.016 0.000 1.707 3005 D HN 0.530 nan 8.370 nan 0.000 0.522 3006 V N 0.072 120.003 119.914 0.029 0.000 2.655 3006 V HA 0.144 4.278 4.120 0.023 0.000 0.300 3006 V C 1.161 177.285 176.094 0.050 0.000 1.044 3006 V CA -0.624 61.710 62.300 0.056 0.000 1.095 3006 V CB 0.553 32.405 31.823 0.048 0.000 0.952 3006 V HN 0.064 nan 8.190 nan 0.000 0.485 3007 F N 3.140 123.040 119.950 -0.083 0.000 2.134 3007 F HA -0.044 4.497 4.527 0.023 0.000 0.299 3007 F C 1.902 177.509 175.800 -0.321 0.000 1.097 3007 F CA 2.491 60.367 58.000 -0.206 0.000 1.264 3007 F CB -0.187 38.664 39.000 -0.247 0.000 1.001 3007 F HN 0.820 nan 8.300 nan 0.000 0.479 3008 H N -1.236 117.743 119.070 -0.151 0.000 2.406 3008 H HA 0.197 4.768 4.556 0.024 0.000 0.304 3008 H C 2.143 177.375 175.328 -0.160 0.000 1.042 3008 H CA 1.216 57.128 56.048 -0.226 0.000 1.360 3008 H CB -0.347 29.281 29.762 -0.223 0.000 1.448 3008 H HN 0.123 nan 8.280 nan 0.000 0.553 3009 L N -0.304 120.897 121.223 -0.036 0.000 2.201 3009 L HA 0.075 4.429 4.340 0.023 0.000 0.212 3009 L C 1.251 178.215 176.870 0.157 0.000 1.105 3009 L CA 0.789 55.661 54.840 0.054 0.000 0.775 3009 L CB -0.456 41.601 42.059 -0.004 0.000 0.913 3009 L HN 0.567 nan 8.230 nan 0.000 0.440 3010 G N 1.115 109.911 108.800 -0.006 0.000 2.246 3010 G HA2 -0.265 3.709 3.960 0.023 0.000 0.273 3010 G HA3 -0.265 3.709 3.960 0.023 0.000 0.273 3010 G C -0.122 174.817 174.900 0.064 0.000 1.055 3010 G CA 0.024 45.109 45.100 -0.025 0.000 0.851 3010 G HN 0.240 nan 8.290 nan 0.000 0.500 3011 L N 0.208 121.455 121.223 0.039 0.000 2.342 3011 L HA 0.798 5.152 4.340 0.023 0.000 0.271 3011 L C 0.922 177.804 176.870 0.020 0.000 1.008 3011 L CA -0.553 54.308 54.840 0.034 0.000 0.818 3011 L CB 2.207 44.289 42.059 0.039 0.000 1.296 3011 L HN 0.358 nan 8.230 nan 0.000 0.427 3012 T N -2.800 111.763 114.554 0.014 0.000 2.952 3012 T HA 0.286 4.650 4.350 0.023 0.000 0.286 3012 T C 0.723 175.429 174.700 0.009 0.000 1.024 3012 T CA -0.801 61.305 62.100 0.010 0.000 1.029 3012 T CB 2.095 70.966 68.868 0.005 0.000 1.094 3012 T HN 0.619 nan 8.240 nan 0.000 0.515 3013 K N 0.403 120.808 120.400 0.009 0.000 2.063 3013 K HA -0.168 4.166 4.320 0.023 0.000 0.208 3013 K C 1.901 178.502 176.600 0.002 0.000 1.048 3013 K CA 1.586 57.877 56.287 0.007 0.000 0.928 3013 K CB -0.240 32.264 32.500 0.007 0.000 0.713 3013 K HN 0.513 nan 8.250 nan 0.000 0.442 3014 N N 1.505 120.205 118.700 -0.000 0.000 2.149 3014 N HA -0.166 4.588 4.740 0.023 0.000 0.188 3014 N C 1.121 176.626 175.510 -0.008 0.000 1.019 3014 N CA 1.366 54.414 53.050 -0.004 0.000 0.857 3014 N CB -0.432 38.052 38.487 -0.005 0.000 0.997 3014 N HN 0.271 nan 8.380 nan 0.000 0.426 3015 D N 0.301 120.696 120.400 -0.008 0.000 2.182 3015 D HA -0.110 4.544 4.640 0.023 0.000 0.201 3015 D C 1.733 178.027 176.300 -0.011 0.000 0.986 3015 D CA 0.616 54.608 54.000 -0.014 0.000 0.847 3015 D CB -0.080 40.714 40.800 -0.011 0.000 0.942 3015 D HN 0.185 nan 8.370 nan 0.000 0.467 3016 L N 0.232 121.452 121.223 -0.005 0.000 2.395 3016 L HA 0.019 4.373 4.340 0.023 0.000 0.218 3016 L C 0.799 177.664 176.870 -0.007 0.000 1.130 3016 L CA 0.566 55.403 54.840 -0.005 0.000 0.826 3016 L CB -0.389 41.666 42.059 -0.006 0.000 0.941 3016 L HN -0.000 nan 8.230 nan 0.000 0.451 3017 Q N -0.164 119.631 119.800 -0.008 0.000 2.434 3017 Q HA -0.293 4.061 4.340 0.023 0.000 0.299 3017 Q C 1.133 177.128 176.000 -0.008 0.000 1.286 3017 Q CA 0.399 56.198 55.803 -0.007 0.000 0.872 3017 Q CB -1.919 26.815 28.738 -0.007 0.000 1.193 3017 Q HN 0.648 nan 8.270 nan 0.000 0.466 3018 G N -2.050 106.744 108.800 -0.010 0.000 2.157 3018 G HA2 -0.271 3.703 3.960 0.023 0.000 0.248 3018 G HA3 -0.271 3.703 3.960 0.023 0.000 0.248 3018 G C 0.269 175.158 174.900 -0.020 0.000 0.979 3018 G CA 0.173 45.266 45.100 -0.012 0.000 0.650 3018 G HN 1.128 nan 8.290 nan 0.000 0.529 3019 A N -0.316 122.490 122.820 -0.023 0.000 2.540 3019 A HA 0.558 4.892 4.320 0.023 0.000 0.239 3019 A C 1.046 178.596 177.584 -0.058 0.000 1.061 3019 A CA 1.383 53.398 52.037 -0.037 0.000 0.758 3019 A CB 0.220 19.200 19.000 -0.033 0.000 0.991 3019 A HN 0.577 nan 8.150 nan 0.000 0.502 3020 Q N 0.839 120.594 119.800 -0.075 0.000 2.164 3020 Q HA 0.327 4.681 4.340 0.023 0.000 0.226 3020 Q C -0.564 175.335 176.000 -0.169 0.000 0.813 3020 Q CA -0.001 55.741 55.803 -0.102 0.000 0.978 3020 Q CB 0.734 29.433 28.738 -0.066 0.000 1.149 3020 Q HN 0.731 nan 8.270 nan 0.000 0.489 3021 L N 0.646 121.773 121.223 -0.161 0.000 2.385 3021 L HA 0.796 5.150 4.340 0.023 0.000 0.273 3021 L C -1.691 175.058 176.870 -0.202 0.000 0.990 3021 L CA -0.664 54.056 54.840 -0.201 0.000 0.821 3021 L CB 1.679 43.668 42.059 -0.116 0.000 1.279 3021 L HN -0.093 nan 8.230 nan 0.000 0.412 3022 A N 5.865 128.510 122.820 -0.292 0.000 2.343 3022 A HA 0.693 5.027 4.320 0.023 0.000 0.316 3022 A C -0.896 176.659 177.584 -0.049 0.000 1.104 3022 A CA -0.535 51.405 52.037 -0.161 0.000 0.768 3022 A CB 0.961 19.849 19.000 -0.186 0.000 1.213 3022 A HN 0.682 nan 8.150 nan 0.000 0.456 3023 I N 2.780 123.355 120.570 0.007 0.000 2.342 3023 I HA 0.341 4.525 4.170 0.023 0.000 0.291 3023 I C -0.177 175.985 176.117 0.075 0.000 1.010 3023 I CA -0.516 60.807 61.300 0.037 0.000 1.308 3023 I CB 1.697 39.708 38.000 0.019 0.000 1.400 3023 I HN 0.470 nan 8.210 nan 0.000 0.488 3024 V N 5.837 125.810 119.914 0.099 0.000 2.276 3024 V HA 0.501 4.635 4.120 0.023 0.000 0.268 3024 V C -2.546 173.596 176.094 0.080 0.000 1.032 3024 V CA -1.956 60.415 62.300 0.118 0.000 0.810 3024 V CB 0.419 32.351 31.823 0.181 0.000 1.060 3024 V HN 0.453 nan 8.190 nan 0.000 0.446 3025 P HA 0.294 nan 4.420 nan 0.000 0.276 3025 P C 1.034 178.358 177.300 0.040 0.000 1.252 3025 P CA 0.285 63.406 63.100 0.036 0.000 0.802 3025 P CB 1.822 33.531 31.700 0.016 0.000 1.035 3026 G N 0.277 109.090 108.800 0.022 0.000 2.394 3026 G HA2 -0.105 3.869 3.960 0.023 0.000 0.215 3026 G HA3 -0.105 3.869 3.960 0.023 0.000 0.215 3026 G C 0.314 175.211 174.900 -0.005 0.000 1.165 3026 G CA 0.488 45.595 45.100 0.012 0.000 0.784 3026 G HN 0.518 nan 8.290 nan 0.000 0.535 3027 D N 0.503 120.897 120.400 -0.012 0.000 2.316 3027 D HA 0.241 4.895 4.640 0.023 0.000 0.245 3027 D C -1.104 175.186 176.300 -0.018 0.000 1.171 3027 D CA -2.542 51.442 54.000 -0.026 0.000 0.856 3027 D CB 2.025 42.806 40.800 -0.032 0.000 1.090 3027 D HN -0.005 nan 8.370 nan 0.000 0.476 3028 P HA -0.172 nan 4.420 nan 0.000 0.218 3028 P C 0.977 178.273 177.300 -0.006 0.000 1.146 3028 P CA 0.904 64.006 63.100 0.003 0.000 0.813 3028 P CB 0.398 32.093 31.700 -0.010 0.000 0.778 3029 E N -0.502 119.682 120.200 -0.027 0.000 2.418 3029 E HA -0.116 4.248 4.350 0.023 0.000 0.197 3029 E C 2.144 178.702 176.600 -0.071 0.000 1.026 3029 E CA 0.156 56.531 56.400 -0.041 0.000 0.862 3029 E CB -0.080 29.597 29.700 -0.038 0.000 0.799 3029 E HN 0.043 nan 8.360 nan 0.000 0.518 3030 R N -0.546 119.914 120.500 -0.066 0.000 2.276 3030 R HA 0.024 4.378 4.340 0.023 0.000 0.196 3030 R C 1.849 178.075 176.300 -0.123 0.000 0.961 3030 R CA 0.165 56.216 56.100 -0.082 0.000 1.024 3030 R CB 0.342 30.611 30.300 -0.050 0.000 0.940 3030 R HN 0.018 nan 8.270 nan 0.000 0.480 3031 V N 1.136 120.977 119.914 -0.123 0.000 2.255 3031 V HA -0.252 3.882 4.120 0.023 0.000 0.247 3031 V C 2.393 178.225 176.094 -0.437 0.000 1.051 3031 V CA 2.083 64.286 62.300 -0.161 0.000 1.018 3031 V CB -0.459 31.353 31.823 -0.020 0.000 0.641 3031 V HN 0.411 nan 8.190 nan 0.000 0.445 3032 E N 0.712 120.493 120.200 -0.697 0.000 2.077 3032 E HA -0.242 4.122 4.350 0.023 0.000 0.193 3032 E C 2.236 178.447 176.600 -0.648 0.000 0.989 3032 E CA 1.537 57.223 56.400 -1.191 0.000 0.800 3032 E CB -0.115 28.972 29.700 -1.020 0.000 0.746 3032 E HN 0.622 nan 8.360 nan 0.000 0.452 3033 K N 0.105 120.282 120.400 -0.371 0.000 2.063 3033 K HA -0.121 4.213 4.320 0.023 0.000 0.208 3033 K C 2.426 178.916 176.600 -0.184 0.000 1.048 3033 K CA 1.563 57.714 56.287 -0.227 0.000 0.928 3033 K CB -0.191 32.220 32.500 -0.148 0.000 0.713 3033 K HN 0.198 nan 8.250 nan 0.000 0.442 3034 I N 1.078 121.544 120.570 -0.173 0.000 2.202 3034 I HA -0.234 3.950 4.170 0.023 0.000 0.242 3034 I C 2.578 178.629 176.117 -0.111 0.000 1.091 3034 I CA 0.964 62.197 61.300 -0.112 0.000 1.368 3034 I CB -0.404 37.550 38.000 -0.075 0.000 1.058 3034 I HN 0.133 nan 8.210 nan 0.000 0.410 3035 A N 0.857 123.576 122.820 -0.169 0.000 1.908 3035 A HA -0.205 4.129 4.320 0.023 0.000 0.218 3035 A C 2.473 180.008 177.584 -0.082 0.000 1.181 3035 A CA 1.956 53.934 52.037 -0.098 0.000 0.627 3035 A CB -0.866 18.072 19.000 -0.104 0.000 0.818 3035 A HN 0.443 nan 8.150 nan 0.000 0.445 3036 A N -0.670 122.050 122.820 -0.166 0.000 2.121 3036 A HA 0.118 4.452 4.320 0.023 0.000 0.218 3036 A C 1.913 179.464 177.584 -0.056 0.000 1.154 3036 A CA 1.100 53.074 52.037 -0.104 0.000 0.679 3036 A CB -0.510 18.402 19.000 -0.147 0.000 0.795 3036 A HN 0.487 nan 8.150 nan 0.000 0.458 3037 L N -1.341 119.848 121.223 -0.057 0.000 2.478 3037 L HA 0.090 4.444 4.340 0.023 0.000 0.223 3037 L C 1.038 177.896 176.870 -0.020 0.000 1.140 3037 L CA 0.175 54.993 54.840 -0.036 0.000 0.842 3037 L CB -0.304 41.731 42.059 -0.039 0.000 0.953 3037 L HN 0.422 nan 8.230 nan 0.000 0.452 3038 M N -1.678 117.915 119.600 -0.011 0.000 2.849 3038 M HA 0.300 4.794 4.480 0.023 0.000 0.299 3038 M C -0.596 175.714 176.300 0.017 0.000 1.223 3038 M CA -0.871 54.431 55.300 0.003 0.000 0.856 3038 M CB 1.355 33.961 32.600 0.009 0.000 1.680 3038 M HN -0.186 nan 8.290 nan 0.000 0.506 3039 D N 1.094 121.506 120.400 0.020 0.000 2.339 3039 D HA 0.144 4.798 4.640 0.023 0.000 0.245 3039 D C -0.424 175.903 176.300 0.044 0.000 1.115 3039 D CA 0.100 54.116 54.000 0.026 0.000 0.917 3039 D CB 0.652 41.463 40.800 0.017 0.000 1.192 3039 D HN 0.443 nan 8.370 nan 0.000 0.428 3040 K N -0.283 120.146 120.400 0.048 0.000 3.451 3040 K HA -0.142 4.192 4.320 0.023 0.000 0.273 3040 K C -2.343 174.317 176.600 0.100 0.000 0.944 3040 K CA 0.072 56.395 56.287 0.060 0.000 0.734 3040 K CB -1.216 31.307 32.500 0.039 0.000 1.437 3040 K HN 0.345 nan 8.250 nan 0.000 0.454 3041 P HA 0.130 nan 4.420 nan 0.000 0.276 3041 P C -0.500 177.005 177.300 0.341 0.000 1.235 3041 P CA -0.108 63.171 63.100 0.297 0.000 0.772 3041 P CB 1.589 33.463 31.700 0.291 0.000 0.871 3042 V N 3.770 123.831 119.914 0.245 0.000 2.733 3042 V HA 0.293 4.427 4.120 0.023 0.000 0.306 3042 V C -0.215 175.448 176.094 -0.717 0.000 1.084 3042 V CA -1.116 61.076 62.300 -0.180 0.000 0.905 3042 V CB 2.108 33.860 31.823 -0.118 0.000 1.010 3042 V HN 0.489 nan 8.190 nan 0.000 0.424 3043 K N 4.930 124.409 120.400 -1.535 0.000 2.350 3043 K HA 0.348 4.682 4.320 0.023 0.000 0.279 3043 K C 0.203 176.353 176.600 -0.750 0.000 1.027 3043 K CA -0.152 55.043 56.287 -1.819 0.000 0.969 3043 K CB 0.961 32.590 32.500 -1.451 0.000 0.954 3043 K HN 0.765 nan 8.250 nan 0.000 0.474 3044 L N 2.363 123.272 121.223 -0.523 0.000 2.347 3044 L HA 0.352 4.706 4.340 0.023 0.000 0.196 3044 L C 0.452 177.222 176.870 -0.166 0.000 1.072 3044 L CA 0.091 54.788 54.840 -0.238 0.000 0.817 3044 L CB 0.301 42.293 42.059 -0.113 0.000 1.029 3044 L HN 0.746 nan 8.230 nan 0.000 0.478 3045 A N -0.973 121.764 122.820 -0.137 0.000 2.608 3045 A HA 0.616 4.950 4.320 0.023 0.000 0.292 3045 A C -1.250 176.268 177.584 -0.110 0.000 1.066 3045 A CA -0.277 51.693 52.037 -0.111 0.000 0.676 3045 A CB 1.713 20.733 19.000 0.033 0.000 1.277 3045 A HN -0.118 nan 8.150 nan 0.000 0.413 3046 S N 0.704 116.228 115.700 -0.294 0.000 2.776 3046 S HA 0.660 5.144 4.470 0.023 0.000 0.284 3046 S C -1.685 172.640 174.600 -0.459 0.000 1.160 3046 S CA -0.483 57.596 58.200 -0.202 0.000 1.051 3046 S CB 0.341 63.483 63.200 -0.097 0.000 1.037 3046 S HN 0.718 nan 8.310 nan 0.000 0.485 3047 H N 3.519 122.657 119.070 0.114 0.000 2.759 3047 H HA 0.530 5.099 4.556 0.023 0.000 0.354 3047 H C 0.540 175.948 175.328 0.132 0.000 1.074 3047 H CA -0.482 55.630 56.048 0.107 0.000 1.226 3047 H CB 1.565 31.392 29.762 0.108 0.000 1.648 3047 H HN 0.778 nan 8.280 nan 0.000 0.529 3048 R N 0.481 121.070 120.500 0.148 0.000 3.835 3048 R HA -0.229 4.125 4.340 0.023 0.000 0.455 3048 R C 1.122 177.332 176.300 -0.149 0.000 0.241 3048 R CA 1.852 57.951 56.100 -0.002 0.000 1.439 3048 R CB -0.750 29.559 30.300 0.016 0.000 0.987 3048 R HN 0.770 nan 8.270 nan 0.000 0.570 3049 E N 2.063 121.989 120.200 -0.457 0.000 2.476 3049 E HA -0.002 4.362 4.350 0.023 0.000 0.191 3049 E C -0.114 176.228 176.600 -0.431 0.000 1.064 3049 E CA 0.692 56.811 56.400 -0.469 0.000 0.866 3049 E CB 0.058 29.442 29.700 -0.527 0.000 0.952 3049 E HN 0.376 nan 8.360 nan 0.000 0.492 3050 F N 1.693 121.684 119.950 0.069 0.000 2.309 3050 F HA 0.290 4.830 4.527 0.022 0.000 0.366 3050 F C 0.161 176.013 175.800 0.086 0.000 1.104 3050 F CA -0.696 57.355 58.000 0.085 0.000 1.179 3050 F CB 1.357 40.424 39.000 0.113 0.000 1.437 3050 F HN -0.308 nan 8.300 nan 0.000 0.528 3051 T N 1.994 116.681 114.554 0.221 0.000 2.767 3051 T HA 0.444 4.808 4.350 0.023 0.000 0.284 3051 T C -0.230 174.626 174.700 0.261 0.000 0.973 3051 T CA -0.720 61.502 62.100 0.204 0.000 0.996 3051 T CB 1.048 70.022 68.868 0.177 0.000 0.927 3051 T HN 0.515 nan 8.240 nan 0.000 0.456 3052 S N 2.446 118.295 115.700 0.249 0.000 2.521 3052 S HA 0.762 5.247 4.470 0.023 0.000 0.295 3052 S C -1.525 173.220 174.600 0.241 0.000 1.098 3052 S CA -1.006 57.339 58.200 0.241 0.000 0.999 3052 S CB 1.161 64.450 63.200 0.149 0.000 1.034 3052 S HN 0.656 nan 8.310 nan 0.000 0.483 3053 W N 1.202 122.517 121.300 0.026 0.000 2.864 3053 W HA 0.654 5.328 4.660 0.023 0.000 0.343 3053 W C 0.193 176.717 176.519 0.009 0.000 1.109 3053 W CA -0.826 56.527 57.345 0.013 0.000 1.192 3053 W CB 1.888 31.353 29.460 0.009 0.000 1.426 3053 W HN 0.731 nan 8.180 nan 0.000 0.529 3054 R N 1.569 122.179 120.500 0.183 0.000 2.664 3054 R HA 0.891 5.245 4.340 0.023 0.000 0.286 3054 R C -0.698 175.696 176.300 0.157 0.000 0.967 3054 R CA -0.378 55.793 56.100 0.119 0.000 0.933 3054 R CB 1.476 31.798 30.300 0.037 0.000 1.146 3054 R HN 0.632 nan 8.270 nan 0.000 0.468 3055 A N 2.582 125.467 122.820 0.108 0.000 2.567 3055 A HA 0.518 4.852 4.320 0.023 0.000 0.289 3055 A C -1.550 176.063 177.584 0.048 0.000 1.177 3055 A CA -0.732 51.360 52.037 0.092 0.000 0.694 3055 A CB 1.772 20.827 19.000 0.093 0.000 1.292 3055 A HN 0.722 nan 8.150 nan 0.000 0.425 3056 E N -0.530 119.693 120.200 0.037 0.000 2.234 3056 E HA 0.538 4.902 4.350 0.023 0.000 0.266 3056 E C -2.003 174.605 176.600 0.012 0.000 0.877 3056 E CA -0.612 55.799 56.400 0.020 0.000 0.758 3056 E CB 2.375 32.085 29.700 0.017 0.000 1.170 3056 E HN 0.405 nan 8.360 nan 0.000 0.415 3057 L N 3.680 124.905 121.223 0.004 0.000 2.376 3057 L HA 0.327 4.681 4.340 0.023 0.000 0.275 3057 L C -0.943 175.924 176.870 -0.004 0.000 0.987 3057 L CA -0.151 54.688 54.840 -0.001 0.000 0.828 3057 L CB 1.260 43.316 42.059 -0.006 0.000 1.249 3057 L HN 0.503 nan 8.230 nan 0.000 0.409 3058 D N 4.518 124.915 120.400 -0.005 0.000 2.737 3058 D HA -0.217 4.437 4.640 0.023 0.000 0.233 3058 D C 1.125 177.422 176.300 -0.004 0.000 1.155 3058 D CA 1.525 55.521 54.000 -0.005 0.000 0.667 3058 D CB -1.033 39.762 40.800 -0.008 0.000 1.060 3058 D HN 1.221 nan 8.370 nan 0.000 0.427 3059 G N -0.958 107.841 108.800 -0.002 0.000 2.176 3059 G HA2 -0.340 3.634 3.960 0.023 0.000 0.253 3059 G HA3 -0.340 3.634 3.960 0.023 0.000 0.253 3059 G C 0.232 175.131 174.900 -0.002 0.000 0.979 3059 G CA 0.587 45.686 45.100 -0.001 0.000 0.641 3059 G HN 0.461 nan 8.290 nan 0.000 0.530 3060 K N 0.682 121.080 120.400 -0.004 0.000 2.182 3060 K HA 0.701 5.035 4.320 0.023 0.000 0.262 3060 K C 0.426 177.023 176.600 -0.005 0.000 0.957 3060 K CA -0.104 56.179 56.287 -0.006 0.000 0.842 3060 K CB 2.068 34.561 32.500 -0.011 0.000 1.099 3060 K HN 0.509 nan 8.250 nan 0.000 0.438 3061 A N 2.231 125.048 122.820 -0.005 0.000 2.520 3061 A HA 0.306 4.640 4.320 0.023 0.000 0.245 3061 A C 0.172 177.750 177.584 -0.009 0.000 1.072 3061 A CA -0.291 51.745 52.037 -0.002 0.000 0.761 3061 A CB -0.119 18.879 19.000 -0.004 0.000 1.004 3061 A HN 0.533 nan 8.150 nan 0.000 0.499 3062 V N 1.013 120.927 119.914 0.001 0.000 2.962 3062 V HA 0.732 4.866 4.120 0.023 0.000 0.313 3062 V C -0.578 175.524 176.094 0.014 0.000 1.099 3062 V CA -1.122 61.174 62.300 -0.007 0.000 0.971 3062 V CB 1.779 33.598 31.823 -0.007 0.000 1.028 3062 V HN 0.642 nan 8.190 nan 0.000 0.430 3063 I N 2.924 123.494 120.570 0.001 0.000 2.460 3063 I HA 0.605 4.789 4.170 0.023 0.000 0.298 3063 I C -0.267 175.883 176.117 0.054 0.000 0.989 3063 I CA -0.685 60.637 61.300 0.036 0.000 1.173 3063 I CB 1.897 39.905 38.000 0.014 0.000 1.338 3063 I HN 0.539 nan 8.210 nan 0.000 0.456 3064 V N 5.056 125.035 119.914 0.109 0.000 2.409 3064 V HA 0.450 4.584 4.120 0.023 0.000 0.291 3064 V C -0.420 175.766 176.094 0.153 0.000 1.020 3064 V CA -0.476 61.889 62.300 0.108 0.000 0.848 3064 V CB 2.022 33.895 31.823 0.083 0.000 0.990 3064 V HN 0.903 nan 8.190 nan 0.000 0.430 3065 C N 4.963 124.348 119.300 0.141 0.000 2.642 3065 C HA 0.677 5.151 4.460 0.023 0.000 0.344 3065 C C 0.496 175.590 174.990 0.174 0.000 1.110 3065 C CA -0.415 58.709 59.018 0.176 0.000 1.298 3065 C CB 1.113 28.959 27.740 0.177 0.000 1.827 3065 C HN 1.054 nan 8.230 nan 0.000 0.467 3066 S N 3.339 119.148 115.700 0.181 0.000 2.585 3066 S HA 0.349 4.833 4.470 0.023 0.000 0.273 3066 S C 0.960 175.699 174.600 0.231 0.000 1.339 3066 S CA 0.428 58.718 58.200 0.150 0.000 1.028 3066 S CB 1.283 64.536 63.200 0.090 0.000 0.906 3066 S HN 1.049 nan 8.310 nan 0.000 0.528 3067 T N -1.399 113.252 114.554 0.162 0.000 3.014 3067 T HA 0.514 4.878 4.350 0.023 0.000 0.250 3067 T C 1.190 175.949 174.700 0.098 0.000 1.060 3067 T CA 0.272 62.495 62.100 0.204 0.000 1.040 3067 T CB -0.932 68.006 68.868 0.117 0.000 0.971 3067 T HN 1.929 nan 8.240 nan 0.000 0.497 3068 G N 1.511 110.297 108.800 -0.023 0.000 2.828 3068 G HA2 -0.130 3.844 3.960 0.023 0.000 0.463 3068 G HA3 -0.130 3.844 3.960 0.023 0.000 0.463 3068 G C -0.556 174.320 174.900 -0.040 0.000 1.394 3068 G CA -0.523 44.518 45.100 -0.098 0.000 0.862 3068 G HN 0.641 nan 8.290 nan 0.000 0.540 3069 I N 2.123 122.662 120.570 -0.052 0.000 2.496 3069 I HA 0.500 4.684 4.170 0.023 0.000 0.285 3069 I C 1.145 177.253 176.117 -0.016 0.000 1.080 3069 I CA 1.291 62.574 61.300 -0.028 0.000 1.404 3069 I CB 0.575 38.552 38.000 -0.039 0.000 1.403 3069 I HN 1.962 nan 8.210 nan 0.000 0.539 3070 G N 3.899 112.698 108.800 -0.002 0.000 2.650 3070 G HA2 -0.073 3.901 3.960 0.023 0.000 0.686 3070 G HA3 -0.073 3.901 3.960 0.023 0.000 0.686 3070 G C 0.522 175.424 174.900 0.005 0.000 1.205 3070 G CA -0.493 44.607 45.100 0.001 0.000 0.781 3070 G HN 0.921 nan 8.290 nan 0.000 0.648 3071 G N 0.607 109.406 108.800 -0.001 0.000 2.476 3071 G HA2 0.017 3.991 3.960 0.023 0.000 0.218 3071 G HA3 0.017 3.991 3.960 0.023 0.000 0.218 3071 G C 0.145 175.047 174.900 0.004 0.000 1.164 3071 G CA 2.201 47.299 45.100 -0.003 0.000 0.768 3071 G HN 0.693 nan 8.290 nan 0.000 0.560 3072 P HA -0.129 nan 4.420 nan 0.000 0.214 3072 P C 2.491 179.820 177.300 0.047 0.000 1.163 3072 P CA 2.481 65.583 63.100 0.002 0.000 0.883 3072 P CB -0.262 31.435 31.700 -0.005 0.000 0.788 3073 S N -1.952 113.792 115.700 0.075 0.000 2.383 3073 S HA -0.127 4.357 4.470 0.023 0.000 0.227 3073 S C 1.957 176.699 174.600 0.236 0.000 1.026 3073 S CA 1.807 60.125 58.200 0.198 0.000 0.981 3073 S CB -2.013 61.246 63.200 0.098 0.000 0.818 3073 S HN 0.090 nan 8.310 nan 0.000 0.472 3074 T N 3.162 117.784 114.554 0.113 0.000 2.665 3074 T HA -0.148 4.216 4.350 0.023 0.000 0.268 3074 T C 2.336 177.030 174.700 -0.012 0.000 1.035 3074 T CA 2.027 64.160 62.100 0.056 0.000 1.151 3074 T CB -0.819 68.049 68.868 -0.000 0.000 0.862 3074 T HN 0.805 nan 8.240 nan 0.000 0.438 3075 S N 1.124 116.822 115.700 -0.003 0.000 2.399 3075 S HA -0.028 4.456 4.470 0.023 0.000 0.231 3075 S C 2.072 176.667 174.600 -0.008 0.000 1.022 3075 S CA 0.781 58.982 58.200 0.000 0.000 0.983 3075 S CB -0.735 62.563 63.200 0.164 0.000 0.803 3075 S HN 0.510 nan 8.310 nan 0.000 0.480 3076 I N 2.083 122.630 120.570 -0.037 0.000 2.202 3076 I HA -0.091 4.093 4.170 0.023 0.000 0.242 3076 I C 3.112 179.092 176.117 -0.228 0.000 1.091 3076 I CA 1.110 62.312 61.300 -0.162 0.000 1.368 3076 I CB -0.684 37.113 38.000 -0.340 0.000 1.058 3076 I HN 0.428 nan 8.210 nan 0.000 0.410 3077 A N 0.414 123.100 122.820 -0.223 0.000 1.877 3077 A HA -0.151 4.183 4.320 0.023 0.000 0.216 3077 A C 2.418 179.973 177.584 -0.049 0.000 1.186 3077 A CA 1.768 53.701 52.037 -0.173 0.000 0.620 3077 A CB -0.972 18.052 19.000 0.040 0.000 0.822 3077 A HN 0.236 nan 8.150 nan 0.000 0.443 3078 V N 0.185 120.024 119.914 -0.124 0.000 2.295 3078 V HA -0.245 3.889 4.120 0.023 0.000 0.246 3078 V C 2.638 178.641 176.094 -0.151 0.000 1.049 3078 V CA 2.461 64.567 62.300 -0.322 0.000 1.024 3078 V CB -0.761 30.663 31.823 -0.666 0.000 0.648 3078 V HN 0.762 nan 8.190 nan 0.000 0.447 3079 E N 0.953 121.093 120.200 -0.100 0.000 2.058 3079 E HA -0.251 4.113 4.350 0.023 0.000 0.194 3079 E C 2.083 178.709 176.600 0.044 0.000 0.997 3079 E CA 2.062 58.459 56.400 -0.004 0.000 0.801 3079 E CB -0.327 29.401 29.700 0.046 0.000 0.746 3079 E HN 0.680 nan 8.360 nan 0.000 0.450 3080 E N -0.157 120.058 120.200 0.024 0.000 2.107 3080 E HA -0.101 4.263 4.350 0.023 0.000 0.191 3080 E C 2.286 178.929 176.600 0.071 0.000 0.982 3080 E CA 0.907 57.331 56.400 0.040 0.000 0.809 3080 E CB -0.121 29.582 29.700 0.004 0.000 0.756 3080 E HN 0.307 nan 8.360 nan 0.000 0.459 3081 L N 0.637 121.931 121.223 0.118 0.000 2.083 3081 L HA -0.166 4.188 4.340 0.023 0.000 0.209 3081 L C 2.583 179.571 176.870 0.196 0.000 1.083 3081 L CA 0.949 55.895 54.840 0.177 0.000 0.752 3081 L CB -0.422 41.824 42.059 0.312 0.000 0.899 3081 L HN 0.141 nan 8.230 nan 0.000 0.433 3082 A N -0.549 122.438 122.820 0.278 0.000 1.902 3082 A HA -0.252 4.082 4.320 0.023 0.000 0.217 3082 A C 2.202 179.854 177.584 0.114 0.000 1.181 3082 A CA 1.467 53.639 52.037 0.225 0.000 0.623 3082 A CB -0.480 18.644 19.000 0.206 0.000 0.818 3082 A HN 0.462 nan 8.150 nan 0.000 0.443 3083 Q N -0.693 119.161 119.800 0.091 0.000 2.181 3083 Q HA -0.105 4.249 4.340 0.023 0.000 0.205 3083 Q C 1.564 177.594 176.000 0.049 0.000 0.980 3083 Q CA 1.304 57.144 55.803 0.062 0.000 0.862 3083 Q CB -0.271 28.501 28.738 0.056 0.000 0.905 3083 Q HN 0.684 nan 8.270 nan 0.000 0.429 3084 L N -1.549 119.705 121.223 0.052 0.000 2.592 3084 L HA 0.166 4.520 4.340 0.023 0.000 0.227 3084 L C 1.126 178.008 176.870 0.020 0.000 1.127 3084 L CA 0.454 55.313 54.840 0.033 0.000 0.884 3084 L CB 0.402 42.480 42.059 0.032 0.000 1.065 3084 L HN 0.402 nan 8.230 nan 0.000 0.457 3085 G N -0.292 108.523 108.800 0.025 0.000 2.192 3085 G HA2 -0.179 3.795 3.960 0.023 0.000 0.193 3085 G HA3 -0.179 3.795 3.960 0.023 0.000 0.193 3085 G C 0.231 175.115 174.900 -0.026 0.000 0.999 3085 G CA -0.709 44.395 45.100 0.006 0.000 0.659 3085 G HN 0.050 nan 8.290 nan 0.000 0.503 3086 I N 1.258 121.798 120.570 -0.051 0.000 2.618 3086 I HA 0.293 4.477 4.170 0.023 0.000 0.284 3086 I C 1.321 177.337 176.117 -0.167 0.000 1.146 3086 I CA 0.329 61.502 61.300 -0.212 0.000 1.425 3086 I CB 0.972 38.715 38.000 -0.428 0.000 1.383 3086 I HN 0.100 nan 8.210 nan 0.000 0.562 3087 R N 2.974 123.353 120.500 -0.201 0.000 2.453 3087 R HA 0.193 4.547 4.340 0.023 0.000 0.233 3087 R C -0.156 176.117 176.300 -0.045 0.000 0.895 3087 R CA 0.229 56.305 56.100 -0.040 0.000 1.028 3087 R CB 0.535 30.829 30.300 -0.009 0.000 1.255 3087 R HN 0.526 nan 8.270 nan 0.000 0.571 3088 T N 1.273 115.676 114.554 -0.251 0.000 2.841 3088 T HA 0.591 4.955 4.350 0.023 0.000 0.285 3088 T C -1.041 173.435 174.700 -0.373 0.000 0.991 3088 T CA -0.274 61.735 62.100 -0.151 0.000 0.966 3088 T CB 1.275 70.088 68.868 -0.091 0.000 0.962 3088 T HN -0.169 nan 8.240 nan 0.000 0.438 3089 F N 2.577 122.524 119.950 -0.005 0.000 2.518 3089 F HA 0.555 5.098 4.527 0.026 0.000 0.323 3089 F C -0.282 175.514 175.800 -0.006 0.000 1.129 3089 F CA -1.050 56.946 58.000 -0.006 0.000 0.920 3089 F CB 1.410 40.402 39.000 -0.014 0.000 1.160 3089 F HN 0.217 nan 8.300 nan 0.000 0.440 3090 L N 4.291 125.595 121.223 0.134 0.000 2.318 3090 L HA 0.499 4.853 4.340 0.023 0.000 0.277 3090 L C 0.006 176.926 176.870 0.084 0.000 1.008 3090 L CA -0.689 54.200 54.840 0.082 0.000 0.846 3090 L CB 1.609 43.687 42.059 0.033 0.000 1.220 3090 L HN 0.595 nan 8.230 nan 0.000 0.423 3091 R N 3.269 123.814 120.500 0.076 0.000 2.389 3091 R HA 0.432 4.786 4.340 0.023 0.000 0.295 3091 R C -0.874 175.447 176.300 0.036 0.000 1.075 3091 R CA -0.445 55.689 56.100 0.057 0.000 1.005 3091 R CB 1.026 31.351 30.300 0.042 0.000 0.987 3091 R HN 0.518 nan 8.270 nan 0.000 0.452 3092 I N 4.195 124.784 120.570 0.032 0.000 2.382 3092 I HA 0.567 4.751 4.170 0.023 0.000 0.286 3092 I C -0.631 175.497 176.117 0.018 0.000 1.002 3092 I CA -0.106 61.206 61.300 0.020 0.000 1.135 3092 I CB 1.630 39.638 38.000 0.014 0.000 1.288 3092 I HN 0.749 nan 8.210 nan 0.000 0.448 3093 G N 4.147 112.956 108.800 0.016 0.000 3.015 3093 G HA2 0.705 4.679 3.960 0.023 0.000 0.281 3093 G HA3 0.705 4.679 3.960 0.023 0.000 0.281 3093 G C -1.014 173.895 174.900 0.016 0.000 1.386 3093 G CA -0.351 44.759 45.100 0.016 0.000 0.959 3093 G HN 0.631 nan 8.290 nan 0.000 0.522 3094 T N -2.820 111.746 114.554 0.020 0.000 2.945 3094 T HA 0.740 5.104 4.350 0.023 0.000 0.286 3094 T C -0.360 174.360 174.700 0.033 0.000 1.025 3094 T CA -0.653 61.462 62.100 0.025 0.000 1.039 3094 T CB 2.037 70.922 68.868 0.028 0.000 1.068 3094 T HN 0.825 nan 8.240 nan 0.000 0.497 3095 T N -0.218 114.354 114.554 0.031 0.000 2.889 3095 T HA 0.636 5.000 4.350 0.023 0.000 0.315 3095 T C -0.492 174.222 174.700 0.023 0.000 1.291 3095 T CA -0.451 61.666 62.100 0.028 0.000 1.028 3095 T CB 1.299 70.175 68.868 0.014 0.000 1.235 3095 T HN 1.152 nan 8.240 nan 0.000 0.491 3096 G N 1.866 110.682 108.800 0.026 0.000 2.347 3096 G HA2 0.632 4.607 3.960 0.023 0.000 0.314 3096 G HA3 0.632 4.607 3.960 0.023 0.000 0.314 3096 G C 0.081 174.989 174.900 0.014 0.000 1.126 3096 G CA -0.207 44.905 45.100 0.020 0.000 0.929 3096 G HN 0.992 nan 8.290 nan 0.000 0.441 3097 A N 2.292 125.100 122.820 -0.020 0.000 2.388 3097 A HA 0.528 4.862 4.320 0.023 0.000 0.257 3097 A C 1.118 178.667 177.584 -0.058 0.000 1.095 3097 A CA -0.367 51.630 52.037 -0.068 0.000 0.791 3097 A CB 0.241 19.183 19.000 -0.097 0.000 1.029 3097 A HN 1.269 nan 8.150 nan 0.000 0.489 3098 I N -1.995 118.516 120.570 -0.098 0.000 4.154 3098 I HA 0.231 4.415 4.170 0.023 0.000 0.334 3098 I C -0.153 175.927 176.117 -0.061 0.000 1.371 3098 I CA -0.319 60.944 61.300 -0.062 0.000 1.110 3098 I CB 0.198 38.140 38.000 -0.097 0.000 1.085 3098 I HN 0.339 nan 8.210 nan 0.000 0.398 3099 Q N 2.993 122.721 119.800 -0.121 0.000 2.241 3099 Q HA 0.353 4.707 4.340 0.023 0.000 0.254 3099 Q C -1.752 174.169 176.000 -0.131 0.000 0.917 3099 Q CA -2.148 53.585 55.803 -0.116 0.000 0.919 3099 Q CB 1.618 30.228 28.738 -0.214 0.000 1.237 3099 Q HN 0.054 nan 8.270 nan 0.000 0.434 3100 P HA -0.180 nan 4.420 nan 0.000 0.219 3100 P C 0.723 178.036 177.300 0.021 0.000 1.146 3100 P CA 1.581 64.696 63.100 0.024 0.000 0.808 3100 P CB 0.121 31.863 31.700 0.070 0.000 0.779 3101 H N -1.605 117.434 119.070 -0.052 0.000 2.539 3101 H HA 0.258 4.827 4.556 0.023 0.000 0.269 3101 H C 0.523 175.815 175.328 -0.060 0.000 0.980 3101 H CA -0.372 55.652 56.048 -0.041 0.000 1.152 3101 H CB -0.548 29.193 29.762 -0.035 0.000 1.407 3101 H HN 0.132 nan 8.280 nan 0.000 0.564 3102 I N 3.262 123.532 120.570 -0.500 0.000 2.297 3102 I HA 0.085 4.269 4.170 0.023 0.000 0.291 3102 I C -0.305 175.736 176.117 -0.126 0.000 1.033 3102 I CA -0.472 60.597 61.300 -0.384 0.000 1.253 3102 I CB 0.620 38.309 38.000 -0.520 0.000 1.396 3102 I HN 0.071 nan 8.210 nan 0.000 0.476 3103 N N 5.166 123.854 118.700 -0.020 0.000 2.495 3103 N HA 0.278 5.032 4.740 0.023 0.000 0.280 3103 N C -0.290 175.217 175.510 -0.004 0.000 1.168 3103 N CA -0.575 52.474 53.050 -0.003 0.000 0.978 3103 N CB 1.834 40.333 38.487 0.021 0.000 1.191 3103 N HN 0.163 nan 8.380 nan 0.000 0.497 3104 V N 0.887 120.796 119.914 -0.009 0.000 2.617 3104 V HA 0.174 4.308 4.120 0.023 0.000 0.304 3104 V C 1.553 177.632 176.094 -0.026 0.000 1.040 3104 V CA 1.523 63.815 62.300 -0.014 0.000 1.149 3104 V CB 0.053 31.869 31.823 -0.012 0.000 0.914 3104 V HN 1.060 nan 8.190 nan 0.000 0.487 3105 G N 3.761 112.542 108.800 -0.033 0.000 2.234 3105 G HA2 -0.193 3.781 3.960 0.023 0.000 0.235 3105 G HA3 -0.193 3.781 3.960 0.023 0.000 0.235 3105 G C -0.015 174.858 174.900 -0.044 0.000 0.997 3105 G CA 0.035 45.093 45.100 -0.070 0.000 0.623 3105 G HN 0.681 nan 8.290 nan 0.000 0.514 3106 D N 0.370 120.773 120.400 0.004 0.000 2.400 3106 D HA 0.430 5.084 4.640 0.023 0.000 0.238 3106 D C 0.597 176.928 176.300 0.052 0.000 1.157 3106 D CA 0.232 54.261 54.000 0.049 0.000 0.889 3106 D CB 1.508 42.381 40.800 0.122 0.000 1.199 3106 D HN 0.245 nan 8.370 nan 0.000 0.436 3107 V N 2.761 122.709 119.914 0.056 0.000 2.398 3107 V HA 0.315 4.449 4.120 0.023 0.000 0.286 3107 V C 0.114 176.239 176.094 0.052 0.000 1.026 3107 V CA -0.689 61.639 62.300 0.048 0.000 0.868 3107 V CB 1.100 32.950 31.823 0.043 0.000 0.982 3107 V HN 0.275 nan 8.190 nan 0.000 0.443 3108 L N 5.587 126.838 121.223 0.047 0.000 2.305 3108 L HA 0.591 4.945 4.340 0.023 0.000 0.284 3108 L C -0.620 176.265 176.870 0.025 0.000 1.013 3108 L CA -0.718 54.152 54.840 0.050 0.000 0.819 3108 L CB 1.894 43.974 42.059 0.036 0.000 1.227 3108 L HN 0.337 nan 8.230 nan 0.000 0.417 3109 V N 2.105 122.033 119.914 0.023 0.000 2.370 3109 V HA 0.291 4.425 4.120 0.023 0.000 0.279 3109 V C 0.347 176.445 176.094 0.007 0.000 1.029 3109 V CA -0.345 61.959 62.300 0.007 0.000 0.870 3109 V CB 1.700 33.520 31.823 -0.006 0.000 0.984 3109 V HN 0.718 nan 8.190 nan 0.000 0.451 3110 T N 3.553 118.107 114.554 -0.000 0.000 2.743 3110 T HA 0.213 4.577 4.350 0.023 0.000 0.293 3110 T C 1.307 176.007 174.700 0.000 0.000 0.945 3110 T CA 0.146 62.244 62.100 -0.005 0.000 1.030 3110 T CB 1.241 70.102 68.868 -0.012 0.000 0.912 3110 T HN 0.960 nan 8.240 nan 0.000 0.483 3111 T N 0.778 115.334 114.554 0.004 0.000 2.937 3111 T HA 0.473 4.837 4.350 0.023 0.000 0.260 3111 T C 0.743 175.450 174.700 0.012 0.000 1.051 3111 T CA 0.285 62.394 62.100 0.015 0.000 1.141 3111 T CB 0.163 69.046 68.868 0.024 0.000 0.879 3111 T HN 0.750 nan 8.240 nan 0.000 0.459 3112 A N 0.020 122.838 122.820 -0.003 0.000 2.601 3112 A HA 0.682 5.016 4.320 0.023 0.000 0.291 3112 A C -1.042 176.522 177.584 -0.034 0.000 1.075 3112 A CA -0.843 51.188 52.037 -0.010 0.000 0.671 3112 A CB 1.332 20.326 19.000 -0.011 0.000 1.277 3112 A HN 0.210 nan 8.150 nan 0.000 0.417 3113 S N -0.193 115.485 115.700 -0.037 0.000 2.503 3113 S HA 0.579 5.063 4.470 0.023 0.000 0.301 3113 S C -0.323 174.220 174.600 -0.095 0.000 1.087 3113 S CA -0.554 57.604 58.200 -0.071 0.000 1.042 3113 S CB 1.657 64.826 63.200 -0.051 0.000 1.043 3113 S HN 0.867 nan 8.310 nan 0.000 0.489 3114 V N 3.434 123.236 119.914 -0.187 0.000 2.479 3114 V HA 0.151 4.285 4.120 0.023 0.000 0.281 3114 V C 0.637 176.636 176.094 -0.159 0.000 1.031 3114 V CA 0.070 62.216 62.300 -0.257 0.000 1.038 3114 V CB -0.171 31.282 31.823 -0.617 0.000 0.981 3114 V HN 0.699 nan 8.190 nan 0.000 0.478 3115 R N 5.339 125.800 120.500 -0.065 0.000 2.891 3115 R HA 0.318 4.672 4.340 0.023 0.000 0.248 3115 R C 0.042 176.373 176.300 0.052 0.000 1.439 3115 R CA -0.131 55.974 56.100 0.009 0.000 1.288 3115 R CB 0.022 30.354 30.300 0.052 0.000 1.212 3115 R HN 0.672 nan 8.270 nan 0.000 0.605 3116 L N 2.061 123.319 121.223 0.057 0.000 2.851 3116 L HA 0.134 4.488 4.340 0.023 0.000 0.237 3116 L C 0.256 177.213 176.870 0.144 0.000 1.257 3116 L CA -0.249 54.696 54.840 0.176 0.000 1.061 3116 L CB -0.693 41.512 42.059 0.242 0.000 1.372 3116 L HN 0.496 nan 8.230 nan 0.000 0.493 3117 D N -1.371 119.088 120.400 0.098 0.000 2.525 3117 D HA 0.322 4.976 4.640 0.023 0.000 0.249 3117 D C 0.730 177.080 176.300 0.082 0.000 1.072 3117 D CA -0.374 53.669 54.000 0.072 0.000 1.067 3117 D CB 1.873 42.698 40.800 0.040 0.000 1.282 3117 D HN -0.073 nan 8.370 nan 0.000 0.587 3118 G N -1.112 107.718 108.800 0.050 0.000 2.724 3118 G HA2 0.231 4.205 3.960 0.023 0.000 0.205 3118 G HA3 0.231 4.205 3.960 0.023 0.000 0.205 3118 G C 1.286 176.177 174.900 -0.015 0.000 1.112 3118 G CA 0.586 45.716 45.100 0.051 0.000 0.793 3118 G HN 0.613 nan 8.290 nan 0.000 0.526 3119 A N 1.773 124.535 122.820 -0.096 0.000 1.969 3119 A HA -0.000 4.334 4.320 0.023 0.000 0.218 3119 A C 2.674 180.335 177.584 0.129 0.000 1.169 3119 A CA 2.360 54.295 52.037 -0.170 0.000 0.635 3119 A CB -0.685 18.275 19.000 -0.066 0.000 0.810 3119 A HN 0.727 nan 8.150 nan 0.000 0.445 3120 S N 0.298 116.089 115.700 0.151 0.000 2.383 3120 S HA -0.145 4.339 4.470 0.023 0.000 0.229 3120 S C 1.709 176.457 174.600 0.247 0.000 1.030 3120 S CA 1.577 59.906 58.200 0.215 0.000 1.002 3120 S CB -0.763 62.513 63.200 0.126 0.000 0.829 3120 S HN 0.455 nan 8.310 nan 0.000 0.467 3121 L N 0.739 122.089 121.223 0.211 0.000 2.465 3121 L HA 0.032 4.386 4.340 0.023 0.000 0.224 3121 L C 2.269 179.242 176.870 0.171 0.000 1.145 3121 L CA 0.959 55.912 54.840 0.188 0.000 0.834 3121 L CB -0.655 41.511 42.059 0.179 0.000 0.944 3121 L HN 0.500 nan 8.230 nan 0.000 0.451 3122 H N -1.793 117.231 119.070 -0.077 0.000 2.547 3122 H HA 0.022 4.589 4.556 0.019 0.000 0.266 3122 H C 1.236 176.185 175.328 -0.631 0.000 0.988 3122 H CA 0.550 56.398 56.048 -0.333 0.000 1.147 3122 H CB 0.414 29.927 29.762 -0.415 0.000 1.365 3122 H HN 0.353 nan 8.280 nan 0.000 0.589 3123 F N -0.297 119.673 119.950 0.033 0.000 2.667 3123 F HA 0.430 4.970 4.527 0.021 0.000 0.288 3123 F C 0.853 176.560 175.800 -0.156 0.000 1.086 3123 F CA -0.011 57.947 58.000 -0.070 0.000 1.297 3123 F CB 1.034 39.975 39.000 -0.097 0.000 1.059 3123 F HN -0.037 nan 8.300 nan 0.000 0.624 3124 A N 0.377 123.213 122.820 0.028 0.000 2.589 3124 A HA 0.623 4.957 4.320 0.023 0.000 0.296 3124 A C -2.805 174.803 177.584 0.041 0.000 1.062 3124 A CA -1.429 50.558 52.037 -0.083 0.000 0.686 3124 A CB 0.702 19.460 19.000 -0.404 0.000 1.282 3124 A HN -0.178 nan 8.150 nan 0.000 0.404 3125 P HA 0.128 nan 4.420 nan 0.000 0.272 3125 P C 0.817 178.200 177.300 0.140 0.000 1.240 3125 P CA -0.231 62.923 63.100 0.090 0.000 0.791 3125 P CB 0.481 32.229 31.700 0.080 0.000 0.978 3126 M N 1.219 120.888 119.600 0.114 0.000 2.202 3126 M HA -0.183 4.311 4.480 0.023 0.000 0.262 3126 M C 1.537 177.912 176.300 0.126 0.000 1.063 3126 M CA 1.924 57.295 55.300 0.118 0.000 1.097 3126 M CB -1.287 31.368 32.600 0.091 0.000 1.382 3126 M HN 0.297 nan 8.290 nan 0.000 0.413 3127 E N -0.712 119.561 120.200 0.121 0.000 2.160 3127 E HA -0.116 4.248 4.350 0.023 0.000 0.195 3127 E C 0.263 176.932 176.600 0.115 0.000 0.991 3127 E CA 0.736 57.196 56.400 0.101 0.000 0.810 3127 E CB -0.466 29.288 29.700 0.090 0.000 0.742 3127 E HN 0.494 nan 8.360 nan 0.000 0.466 3128 F N 2.217 122.188 119.950 0.035 0.000 2.495 3128 F HA 0.141 4.677 4.527 0.015 0.000 0.365 3128 F C -1.982 173.836 175.800 0.030 0.000 1.090 3128 F CA -2.738 55.283 58.000 0.034 0.000 1.235 3128 F CB 0.567 39.593 39.000 0.044 0.000 1.119 3128 F HN -0.118 nan 8.300 nan 0.000 0.562 3129 P HA 0.156 nan 4.420 nan 0.000 0.281 3129 P C -1.241 176.098 177.300 0.065 0.000 1.252 3129 P CA -0.410 62.618 63.100 -0.119 0.000 0.778 3129 P CB 1.244 32.804 31.700 -0.233 0.000 0.895 3130 A N 4.039 126.917 122.820 0.097 0.000 3.026 3130 A HA 0.248 4.582 4.320 0.023 0.000 0.272 3130 A C 0.280 177.895 177.584 0.052 0.000 1.782 3130 A CA -0.281 51.819 52.037 0.104 0.000 1.451 3130 A CB -1.002 18.035 19.000 0.060 0.000 1.081 3130 A HN 0.470 nan 8.150 nan 0.000 0.611 3131 V N 1.864 121.813 119.914 0.059 0.000 2.472 3131 V HA 0.697 4.831 4.120 0.023 0.000 0.290 3131 V C 0.636 176.762 176.094 0.053 0.000 1.037 3131 V CA -0.226 62.093 62.300 0.032 0.000 0.908 3131 V CB 1.340 33.160 31.823 -0.005 0.000 0.985 3131 V HN 0.911 nan 8.190 nan 0.000 0.454 3132 A N 4.323 127.170 122.820 0.044 0.000 2.366 3132 A HA 0.378 4.713 4.320 0.023 0.000 0.249 3132 A C 0.077 177.706 177.584 0.074 0.000 1.084 3132 A CA -0.161 51.906 52.037 0.049 0.000 0.794 3132 A CB 0.137 19.156 19.000 0.031 0.000 1.034 3132 A HN 1.033 nan 8.150 nan 0.000 0.491 3133 D N -0.117 120.328 120.400 0.076 0.000 2.424 3133 D HA 0.133 4.787 4.640 0.023 0.000 0.244 3133 D C 0.685 177.052 176.300 0.111 0.000 1.134 3133 D CA -0.039 54.022 54.000 0.102 0.000 0.881 3133 D CB 0.174 41.026 40.800 0.087 0.000 1.191 3133 D HN 0.381 nan 8.370 nan 0.000 0.445 3134 F N 4.094 124.054 119.950 0.017 0.000 2.102 3134 F HA -0.111 4.430 4.527 0.022 0.000 0.298 3134 F C 2.020 177.827 175.800 0.011 0.000 1.105 3134 F CA 1.800 59.806 58.000 0.011 0.000 1.239 3134 F CB -0.376 38.629 39.000 0.007 0.000 0.991 3134 F HN 0.489 nan 8.300 nan 0.000 0.474 3135 A N -0.546 122.275 122.820 0.002 0.000 1.902 3135 A HA -0.202 4.132 4.320 0.023 0.000 0.217 3135 A C 2.356 179.861 177.584 -0.131 0.000 1.181 3135 A CA 1.771 53.751 52.037 -0.094 0.000 0.623 3135 A CB -1.659 17.363 19.000 0.036 0.000 0.818 3135 A HN 0.576 nan 8.150 nan 0.000 0.443 3136 C N -1.166 118.095 119.300 -0.064 0.000 2.432 3136 C HA -0.071 4.403 4.460 0.023 0.000 0.277 3136 C C 3.060 177.996 174.990 -0.088 0.000 1.249 3136 C CA 1.542 60.530 59.018 -0.051 0.000 1.725 3136 C CB -1.474 26.265 27.740 -0.000 0.000 2.028 3136 C HN 0.648 nan 8.230 nan 0.000 0.477 3137 T N 0.485 114.970 114.554 -0.115 0.000 2.746 3137 T HA -0.159 4.205 4.350 0.023 0.000 0.267 3137 T C 1.802 176.384 174.700 -0.196 0.000 1.039 3137 T CA 2.117 64.141 62.100 -0.127 0.000 1.142 3137 T CB -0.548 68.260 68.868 -0.100 0.000 0.866 3137 T HN 0.584 nan 8.240 nan 0.000 0.444 3138 T N 2.097 116.439 114.554 -0.353 0.000 2.684 3138 T HA -0.102 4.262 4.350 0.023 0.000 0.267 3138 T C 2.397 176.980 174.700 -0.196 0.000 1.036 3138 T CA 1.334 63.216 62.100 -0.364 0.000 1.148 3138 T CB -0.624 67.896 68.868 -0.580 0.000 0.863 3138 T HN 0.449 nan 8.240 nan 0.000 0.436 3139 A N 1.003 123.729 122.820 -0.157 0.000 1.902 3139 A HA -0.013 4.321 4.320 0.023 0.000 0.217 3139 A C 2.324 179.861 177.584 -0.077 0.000 1.181 3139 A CA 1.288 53.267 52.037 -0.096 0.000 0.623 3139 A CB -0.856 18.100 19.000 -0.073 0.000 0.818 3139 A HN 0.483 nan 8.150 nan 0.000 0.443 3140 L N -0.693 120.485 121.223 -0.075 0.000 2.046 3140 L HA -0.159 4.195 4.340 0.023 0.000 0.208 3140 L C 2.544 179.379 176.870 -0.057 0.000 1.077 3140 L CA 1.118 55.925 54.840 -0.055 0.000 0.747 3140 L CB -0.549 41.484 42.059 -0.043 0.000 0.896 3140 L HN 0.249 nan 8.230 nan 0.000 0.432 3141 V N -0.532 119.339 119.914 -0.071 0.000 2.295 3141 V HA -0.220 3.914 4.120 0.023 0.000 0.246 3141 V C 2.516 178.574 176.094 -0.060 0.000 1.049 3141 V CA 1.574 63.836 62.300 -0.063 0.000 1.024 3141 V CB -0.466 31.315 31.823 -0.071 0.000 0.648 3141 V HN 0.420 nan 8.190 nan 0.000 0.447 3142 E N 0.377 120.536 120.200 -0.068 0.000 2.106 3142 E HA -0.133 4.232 4.350 0.023 0.000 0.192 3142 E C 2.332 178.900 176.600 -0.052 0.000 0.984 3142 E CA 1.405 57.771 56.400 -0.057 0.000 0.806 3142 E CB -0.491 29.173 29.700 -0.059 0.000 0.750 3142 E HN 0.576 nan 8.360 nan 0.000 0.458 3143 A N 1.562 124.350 122.820 -0.054 0.000 1.898 3143 A HA -0.043 4.291 4.320 0.023 0.000 0.216 3143 A C 2.437 179.987 177.584 -0.057 0.000 1.181 3143 A CA 1.882 53.888 52.037 -0.052 0.000 0.620 3143 A CB -0.544 18.428 19.000 -0.048 0.000 0.819 3143 A HN 0.260 nan 8.150 nan 0.000 0.442 3144 A N -0.150 122.638 122.820 -0.054 0.000 1.902 3144 A HA -0.195 4.139 4.320 0.023 0.000 0.217 3144 A C 2.158 179.706 177.584 -0.060 0.000 1.181 3144 A CA 2.012 54.016 52.037 -0.056 0.000 0.623 3144 A CB -0.481 18.491 19.000 -0.046 0.000 0.818 3144 A HN 0.530 nan 8.150 nan 0.000 0.443 3145 K N 0.290 120.659 120.400 -0.053 0.000 2.097 3145 K HA -0.161 4.173 4.320 0.023 0.000 0.206 3145 K C 2.320 178.891 176.600 -0.049 0.000 1.049 3145 K CA 1.795 58.054 56.287 -0.047 0.000 0.933 3145 K CB -0.200 32.276 32.500 -0.040 0.000 0.717 3145 K HN 0.625 nan 8.250 nan 0.000 0.442 3146 S N 1.109 116.778 115.700 -0.052 0.000 2.382 3146 S HA -0.154 4.330 4.470 0.023 0.000 0.228 3146 S C 1.967 176.529 174.600 -0.063 0.000 1.027 3146 S CA 1.221 59.390 58.200 -0.051 0.000 0.991 3146 S CB -0.628 62.544 63.200 -0.048 0.000 0.823 3146 S HN 0.542 nan 8.310 nan 0.000 0.469 3147 I N -2.312 118.207 120.570 -0.085 0.000 3.883 3147 I HA 0.544 4.728 4.170 0.023 0.000 0.326 3147 I C 1.408 177.450 176.117 -0.126 0.000 1.283 3147 I CA 0.232 61.459 61.300 -0.122 0.000 1.161 3147 I CB -0.440 37.453 38.000 -0.179 0.000 1.012 3147 I HN 0.366 nan 8.210 nan 0.000 0.421 3148 G N 1.692 110.441 108.800 -0.086 0.000 2.160 3148 G HA2 -0.242 3.732 3.960 0.023 0.000 0.251 3148 G HA3 -0.242 3.732 3.960 0.023 0.000 0.251 3148 G C 0.407 175.282 174.900 -0.041 0.000 1.008 3148 G CA 0.114 45.180 45.100 -0.057 0.000 0.724 3148 G HN 0.976 nan 8.290 nan 0.000 0.514 3149 A N -0.001 122.784 122.820 -0.058 0.000 2.425 3149 A HA 0.641 4.975 4.320 0.023 0.000 0.249 3149 A C 0.968 178.564 177.584 0.019 0.000 1.084 3149 A CA 0.894 52.955 52.037 0.039 0.000 0.781 3149 A CB 0.316 19.344 19.000 0.046 0.000 1.019 3149 A HN 0.883 nan 8.150 nan 0.000 0.490 3150 T N 3.086 117.665 114.554 0.042 0.000 2.761 3150 T HA 0.362 4.726 4.350 0.023 0.000 0.287 3150 T C 0.135 174.762 174.700 -0.121 0.000 0.931 3150 T CA 0.808 62.877 62.100 -0.052 0.000 1.164 3150 T CB -0.328 68.532 68.868 -0.013 0.000 0.876 3150 T HN 0.644 nan 8.240 nan 0.000 0.534 3151 T N 4.561 118.961 114.554 -0.257 0.000 2.886 3151 T HA 0.405 4.769 4.350 0.023 0.000 0.292 3151 T C -0.752 173.683 174.700 -0.442 0.000 1.012 3151 T CA -0.812 61.151 62.100 -0.228 0.000 0.982 3151 T CB 1.144 69.949 68.868 -0.105 0.000 1.018 3151 T HN 0.548 nan 8.240 nan 0.000 0.451 3152 H N 0.711 119.788 119.070 0.011 0.000 2.572 3152 H HA 0.642 5.212 4.556 0.024 0.000 0.359 3152 H C -1.022 174.309 175.328 0.005 0.000 1.134 3152 H CA -0.610 55.448 56.048 0.016 0.000 1.187 3152 H CB 2.058 31.826 29.762 0.011 0.000 1.597 3152 H HN 0.271 nan 8.280 nan 0.000 0.524 3153 V N 1.678 121.666 119.914 0.123 0.000 2.487 3153 V HA 0.710 4.844 4.120 0.023 0.000 0.298 3153 V C 0.477 176.607 176.094 0.061 0.000 1.028 3153 V CA -0.147 62.190 62.300 0.062 0.000 0.860 3153 V CB 1.441 33.284 31.823 0.033 0.000 0.991 3153 V HN 1.118 nan 8.190 nan 0.000 0.427 3154 G N 3.151 111.972 108.800 0.035 0.000 2.404 3154 G HA2 0.350 4.324 3.960 0.023 0.000 0.253 3154 G HA3 0.350 4.324 3.960 0.023 0.000 0.253 3154 G C -1.403 173.495 174.900 -0.004 0.000 1.253 3154 G CA -0.370 44.743 45.100 0.022 0.000 0.917 3154 G HN 0.531 nan 8.290 nan 0.000 0.480 3155 V N 0.898 120.801 119.914 -0.019 0.000 2.607 3155 V HA 0.637 4.771 4.120 0.023 0.000 0.289 3155 V C 0.263 176.303 176.094 -0.089 0.000 1.053 3155 V CA 0.032 62.302 62.300 -0.050 0.000 0.996 3155 V CB 1.318 33.111 31.823 -0.050 0.000 0.995 3155 V HN 0.777 nan 8.190 nan 0.000 0.476 3156 T N 3.605 118.092 114.554 -0.112 0.000 2.841 3156 T HA 0.632 4.996 4.350 0.023 0.000 0.283 3156 T C -0.099 174.472 174.700 -0.215 0.000 1.000 3156 T CA -0.295 61.718 62.100 -0.145 0.000 0.977 3156 T CB 1.623 70.439 68.868 -0.087 0.000 0.979 3156 T HN 0.904 nan 8.240 nan 0.000 0.446 3157 A N 2.382 125.013 122.820 -0.315 0.000 2.309 3157 A HA 0.606 4.940 4.320 0.023 0.000 0.290 3157 A C 0.413 177.929 177.584 -0.112 0.000 1.206 3157 A CA -0.399 51.410 52.037 -0.379 0.000 0.850 3157 A CB 0.284 18.874 19.000 -0.683 0.000 1.118 3157 A HN 0.632 nan 8.150 nan 0.000 0.523 3158 S N 2.148 117.793 115.700 -0.091 0.000 2.498 3158 S HA 0.523 5.007 4.470 0.023 0.000 0.324 3158 S C -0.134 174.467 174.600 0.003 0.000 1.071 3158 S CA -0.340 57.847 58.200 -0.021 0.000 1.113 3158 S CB 0.418 63.601 63.200 -0.029 0.000 0.976 3158 S HN 0.924 nan 8.310 nan 0.000 0.462 3159 S N 3.211 118.914 115.700 0.005 0.000 2.501 3159 S HA 0.362 4.846 4.470 0.023 0.000 0.301 3159 S C 0.392 174.967 174.600 -0.042 0.000 1.096 3159 S CA -0.626 57.554 58.200 -0.033 0.000 1.063 3159 S CB 1.187 64.300 63.200 -0.145 0.000 1.042 3159 S HN 0.721 nan 8.310 nan 0.000 0.494 3160 D N 1.971 122.354 120.400 -0.028 0.000 2.371 3160 D HA 0.099 4.753 4.640 0.023 0.000 0.221 3160 D C 0.700 176.980 176.300 -0.035 0.000 0.986 3160 D CA 0.826 54.818 54.000 -0.014 0.000 0.899 3160 D CB 0.190 41.002 40.800 0.020 0.000 0.902 3160 D HN 0.705 nan 8.370 nan 0.000 0.530 3161 T N -3.974 110.519 114.554 -0.100 0.000 2.906 3161 T HA 0.289 4.653 4.350 0.023 0.000 0.295 3161 T C 0.517 175.137 174.700 -0.134 0.000 1.061 3161 T CA -0.887 61.164 62.100 -0.080 0.000 1.000 3161 T CB 1.244 70.054 68.868 -0.097 0.000 1.103 3161 T HN -0.119 nan 8.240 nan 0.000 0.486 3162 F N 0.188 119.990 119.950 -0.248 0.000 2.335 3162 F HA 0.178 4.719 4.527 0.023 0.000 0.296 3162 F C 1.002 176.445 175.800 -0.594 0.000 1.091 3162 F CA 0.795 58.525 58.000 -0.451 0.000 1.399 3162 F CB -0.035 38.628 39.000 -0.562 0.000 1.067 3162 F HN 0.693 nan 8.300 nan 0.000 0.520 3163 Y N 0.521 120.775 120.300 -0.076 0.000 2.414 3163 Y HA 0.142 4.705 4.550 0.022 0.000 0.248 3163 Y C -0.485 175.234 175.900 -0.301 0.000 1.054 3163 Y CA 0.348 58.359 58.100 -0.149 0.000 1.156 3163 Y CB -1.869 36.591 38.460 -0.000 0.000 1.051 3163 Y HN -0.231 nan 8.280 nan 0.000 0.485 3164 P HA -0.091 nan 4.420 nan 0.000 0.217 3164 P C 1.447 178.448 177.300 -0.497 0.000 1.150 3164 P CA 2.155 65.113 63.100 -0.237 0.000 0.832 3164 P CB -0.230 31.399 31.700 -0.118 0.000 0.787 3165 G N -0.106 108.258 108.800 -0.727 0.000 2.559 3165 G HA2 -0.187 3.787 3.960 0.023 0.000 0.216 3165 G HA3 -0.187 3.787 3.960 0.023 0.000 0.216 3165 G C 1.293 175.694 174.900 -0.831 0.000 1.126 3165 G CA 0.258 44.575 45.100 -1.305 0.000 0.778 3165 G HN 0.382 nan 8.290 nan 0.000 0.543 3166 Q N -0.573 118.763 119.800 -0.774 0.000 2.172 3166 Q HA 0.210 4.564 4.340 0.023 0.000 0.217 3166 Q C 0.016 175.676 176.000 -0.567 0.000 0.832 3166 Q CA -0.300 54.814 55.803 -1.148 0.000 1.010 3166 Q CB 0.526 28.425 28.738 -1.397 0.000 1.133 3166 Q HN 0.569 nan 8.270 nan 0.000 0.489 3167 E N 1.769 121.762 120.200 -0.345 0.000 2.269 3167 E HA -0.239 4.125 4.350 0.023 0.000 0.223 3167 E C -0.881 175.531 176.600 -0.313 0.000 1.244 3167 E CA 0.173 56.414 56.400 -0.266 0.000 0.713 3167 E CB -0.321 29.378 29.700 -0.001 0.000 1.178 3167 E HN 0.343 nan 8.360 nan 0.000 0.370 3168 R N 0.058 120.364 120.500 -0.323 0.000 2.308 3168 R HA 0.179 4.533 4.340 0.023 0.000 0.305 3168 R C 0.309 176.485 176.300 -0.207 0.000 1.053 3168 R CA -0.086 55.922 56.100 -0.153 0.000 0.957 3168 R CB 0.472 30.742 30.300 -0.050 0.000 1.022 3168 R HN 0.224 nan 8.270 nan 0.000 0.461 3169 Y N -0.515 119.820 120.300 0.059 0.000 2.442 3169 Y HA 0.045 4.609 4.550 0.024 0.000 0.250 3169 Y C 0.714 176.641 175.900 0.046 0.000 1.113 3169 Y CA -0.123 58.005 58.100 0.046 0.000 1.273 3169 Y CB 0.624 39.102 38.460 0.030 0.000 1.138 3169 Y HN 0.481 nan 8.280 nan 0.000 0.522 3170 D N 1.676 122.193 120.400 0.196 0.000 2.688 3170 D HA 0.075 4.729 4.640 0.023 0.000 0.228 3170 D C 0.054 176.410 176.300 0.093 0.000 1.116 3170 D CA 0.302 54.385 54.000 0.139 0.000 1.023 3170 D CB -0.206 40.677 40.800 0.139 0.000 1.100 3170 D HN 0.260 nan 8.370 nan 0.000 0.487 3171 T N -2.728 111.853 114.554 0.045 0.000 2.831 3171 T HA 0.176 4.540 4.350 0.023 0.000 0.287 3171 T C 1.124 175.826 174.700 0.004 0.000 1.070 3171 T CA -0.830 61.245 62.100 -0.041 0.000 1.010 3171 T CB 0.635 69.452 68.868 -0.085 0.000 1.264 3171 T HN 0.136 nan 8.240 nan 0.000 0.532 3172 Y N 1.422 121.652 120.300 -0.116 0.000 2.081 3172 Y HA -0.199 4.364 4.550 0.022 0.000 0.280 3172 Y C 2.754 178.633 175.900 -0.035 0.000 1.163 3172 Y CA 2.754 60.811 58.100 -0.072 0.000 1.135 3172 Y CB -0.283 38.125 38.460 -0.086 0.000 0.970 3172 Y HN 0.754 nan 8.280 nan 0.000 0.498 3173 S N -1.153 114.452 115.700 -0.158 0.000 2.439 3173 S HA 0.152 4.636 4.470 0.023 0.000 0.224 3173 S C 1.867 176.408 174.600 -0.099 0.000 1.029 3173 S CA 0.619 58.694 58.200 -0.208 0.000 0.946 3173 S CB -0.345 62.827 63.200 -0.046 0.000 0.797 3173 S HN 0.990 nan 8.310 nan 0.000 0.504 3174 G N 1.598 110.387 108.800 -0.018 0.000 2.175 3174 G HA2 -0.341 3.634 3.960 0.023 0.000 0.265 3174 G HA3 -0.341 3.634 3.960 0.023 0.000 0.265 3174 G C 0.086 175.085 174.900 0.164 0.000 0.979 3174 G CA 0.518 45.666 45.100 0.080 0.000 0.663 3174 G HN 0.832 nan 8.290 nan 0.000 0.533 3175 R N -0.312 120.240 120.500 0.087 0.000 2.428 3175 R HA 0.628 4.983 4.340 0.023 0.000 0.294 3175 R C -0.749 175.582 176.300 0.052 0.000 1.000 3175 R CA -0.551 55.611 56.100 0.104 0.000 0.960 3175 R CB 1.381 31.715 30.300 0.057 0.000 1.076 3175 R HN 0.088 nan 8.270 nan 0.000 0.475 3176 V N 5.186 125.148 119.914 0.081 0.000 2.444 3176 V HA 0.183 4.318 4.120 0.023 0.000 0.294 3176 V C 0.063 176.217 176.094 0.100 0.000 1.022 3176 V CA -0.872 61.425 62.300 -0.005 0.000 0.850 3176 V CB 1.634 33.319 31.823 -0.229 0.000 0.992 3176 V HN 0.673 nan 8.190 nan 0.000 0.426 3177 V N 6.140 126.127 119.914 0.122 0.000 2.928 3177 V HA -0.002 4.132 4.120 0.023 0.000 0.307 3177 V C 1.889 178.054 176.094 0.118 0.000 1.105 3177 V CA 0.898 63.276 62.300 0.130 0.000 1.223 3177 V CB 0.793 32.712 31.823 0.159 0.000 0.930 3177 V HN 0.985 nan 8.190 nan 0.000 0.499 3178 R N 3.815 124.355 120.500 0.067 0.000 2.134 3178 R HA -0.241 4.113 4.340 0.023 0.000 0.248 3178 R C 2.344 178.634 176.300 -0.017 0.000 1.143 3178 R CA 2.644 58.763 56.100 0.031 0.000 0.957 3178 R CB -0.387 29.920 30.300 0.011 0.000 0.867 3178 R HN 0.842 nan 8.270 nan 0.000 0.441 3179 R N -0.718 119.734 120.500 -0.079 0.000 2.133 3179 R HA -0.187 4.167 4.340 0.023 0.000 0.247 3179 R C 1.358 177.419 176.300 -0.399 0.000 1.151 3179 R CA 2.129 58.060 56.100 -0.282 0.000 0.971 3179 R CB -0.216 29.827 30.300 -0.430 0.000 0.866 3179 R HN 0.335 nan 8.270 nan 0.000 0.447 3180 F N 0.019 119.987 119.950 0.030 0.000 2.695 3180 F HA 0.255 4.805 4.527 0.038 0.000 0.303 3180 F C 0.550 176.355 175.800 0.008 0.000 1.091 3180 F CA -0.412 57.604 58.000 0.027 0.000 1.300 3180 F CB 0.419 39.435 39.000 0.028 0.000 1.071 3180 F HN -0.210 nan 8.300 nan 0.000 0.578 3181 K N 0.727 121.214 120.400 0.145 0.000 2.419 3181 K HA 0.259 4.593 4.320 0.023 0.000 0.282 3181 K C 1.163 177.809 176.600 0.076 0.000 1.056 3181 K CA 0.946 57.321 56.287 0.145 0.000 1.035 3181 K CB 0.083 32.654 32.500 0.117 0.000 0.921 3181 K HN 0.367 nan 8.250 nan 0.000 0.472 3182 G N 2.293 111.154 108.800 0.102 0.000 2.162 3182 G HA2 -0.349 3.625 3.960 0.023 0.000 0.260 3182 G HA3 -0.349 3.625 3.960 0.023 0.000 0.260 3182 G C 0.830 175.687 174.900 -0.073 0.000 0.976 3182 G CA 0.852 45.964 45.100 0.021 0.000 0.655 3182 G HN 0.736 nan 8.290 nan 0.000 0.533 3183 S N -0.645 115.019 115.700 -0.060 0.000 2.383 3183 S HA 0.028 4.512 4.470 0.023 0.000 0.227 3183 S C 2.262 176.647 174.600 -0.358 0.000 1.026 3183 S CA 1.677 59.703 58.200 -0.290 0.000 0.981 3183 S CB -0.273 62.948 63.200 0.035 0.000 0.818 3183 S HN 0.675 nan 8.310 nan 0.000 0.472 3184 M N 1.503 121.136 119.600 0.055 0.000 2.086 3184 M HA -0.109 4.385 4.480 0.023 0.000 0.261 3184 M C 2.243 178.571 176.300 0.046 0.000 1.067 3184 M CA 1.792 57.212 55.300 0.201 0.000 1.116 3184 M CB -0.279 32.497 32.600 0.293 0.000 1.348 3184 M HN 0.351 nan 8.290 nan 0.000 0.407 3185 E N -0.022 120.174 120.200 -0.006 0.000 2.110 3185 E HA -0.229 4.135 4.350 0.023 0.000 0.193 3185 E C 1.819 178.373 176.600 -0.077 0.000 0.988 3185 E CA 1.642 58.029 56.400 -0.022 0.000 0.804 3185 E CB -0.123 29.566 29.700 -0.019 0.000 0.745 3185 E HN 0.662 nan 8.360 nan 0.000 0.458 3186 E N 0.009 120.081 120.200 -0.214 0.000 2.038 3186 E HA -0.203 4.161 4.350 0.023 0.000 0.195 3186 E C 1.908 178.421 176.600 -0.145 0.000 1.000 3186 E CA 1.428 57.649 56.400 -0.298 0.000 0.803 3186 E CB -0.255 29.064 29.700 -0.635 0.000 0.750 3186 E HN 0.419 nan 8.360 nan 0.000 0.448 3187 W N 1.308 122.612 121.300 0.007 0.000 2.363 3187 W HA -0.173 4.491 4.660 0.007 0.000 0.296 3187 W C 2.612 179.097 176.519 -0.057 0.000 1.212 3187 W CA 0.341 57.662 57.345 -0.040 0.000 1.260 3187 W CB -0.195 29.201 29.460 -0.105 0.000 1.131 3187 W HN 0.178 nan 8.180 nan 0.000 0.530 3188 Q N 0.881 120.768 119.800 0.144 0.000 2.030 3188 Q HA -0.235 4.119 4.340 0.023 0.000 0.204 3188 Q C 2.424 178.459 176.000 0.060 0.000 0.986 3188 Q CA 2.232 58.077 55.803 0.071 0.000 0.843 3188 Q CB -0.459 28.306 28.738 0.045 0.000 0.904 3188 Q HN 0.253 nan 8.270 nan 0.000 0.420 3189 A N 0.143 122.989 122.820 0.044 0.000 2.019 3189 A HA -0.132 4.202 4.320 0.023 0.000 0.219 3189 A C 1.820 179.434 177.584 0.050 0.000 1.164 3189 A CA 1.315 53.371 52.037 0.032 0.000 0.644 3189 A CB -0.368 18.637 19.000 0.007 0.000 0.805 3189 A HN 0.462 nan 8.150 nan 0.000 0.449 3190 M N -1.340 118.311 119.600 0.086 0.000 2.561 3190 M HA 0.167 4.661 4.480 0.023 0.000 0.238 3190 M C 1.336 177.685 176.300 0.083 0.000 1.131 3190 M CA 0.741 56.103 55.300 0.103 0.000 1.046 3190 M CB 0.225 32.936 32.600 0.184 0.000 1.532 3190 M HN 0.606 nan 8.290 nan 0.000 0.497 3191 G N 0.653 109.494 108.800 0.069 0.000 2.159 3191 G HA2 -0.210 3.764 3.960 0.023 0.000 0.256 3191 G HA3 -0.210 3.764 3.960 0.023 0.000 0.256 3191 G C 0.099 175.015 174.900 0.026 0.000 0.977 3191 G CA -0.154 44.975 45.100 0.048 0.000 0.652 3191 G HN 0.315 nan 8.290 nan 0.000 0.531 3192 V N 1.794 121.726 119.914 0.029 0.000 2.599 3192 V HA 0.154 4.288 4.120 0.023 0.000 0.300 3192 V C 1.880 177.924 176.094 -0.083 0.000 1.034 3192 V CA 1.218 63.493 62.300 -0.041 0.000 1.115 3192 V CB 1.126 32.910 31.823 -0.066 0.000 0.934 3192 V HN 0.412 nan 8.190 nan 0.000 0.485 3193 M N 3.271 122.807 119.600 -0.108 0.000 2.287 3193 M HA 0.097 4.591 4.480 0.023 0.000 0.266 3193 M C 0.612 176.814 176.300 -0.164 0.000 1.079 3193 M CA 1.016 56.240 55.300 -0.127 0.000 1.146 3193 M CB -0.020 32.524 32.600 -0.094 0.000 1.374 3193 M HN 0.954 nan 8.290 nan 0.000 0.435 3194 N N -1.650 116.930 118.700 -0.201 0.000 3.046 3194 N HA 0.171 4.925 4.740 0.023 0.000 0.243 3194 N C -2.003 173.348 175.510 -0.265 0.000 1.452 3194 N CA -0.668 52.267 53.050 -0.192 0.000 0.882 3194 N CB 1.077 39.509 38.487 -0.092 0.000 1.425 3194 N HN -0.105 nan 8.380 nan 0.000 0.517 3195 Y N -0.189 120.057 120.300 -0.090 0.000 2.377 3195 Y HA 0.502 5.064 4.550 0.020 0.000 0.339 3195 Y C 0.358 176.197 175.900 -0.102 0.000 1.011 3195 Y CA -0.171 57.859 58.100 -0.117 0.000 1.093 3195 Y CB 1.565 39.936 38.460 -0.149 0.000 1.201 3195 Y HN 0.801 nan 8.280 nan 0.000 0.455 3196 E N 0.050 120.306 120.200 0.093 0.000 2.391 3196 E HA 0.536 4.900 4.350 0.023 0.000 0.256 3196 E C -1.071 175.544 176.600 0.024 0.000 0.975 3196 E CA -0.742 55.683 56.400 0.042 0.000 0.881 3196 E CB 1.158 30.874 29.700 0.026 0.000 1.728 3196 E HN 0.458 nan 8.360 nan 0.000 0.446 3197 M N -0.493 119.118 119.600 0.018 0.000 2.414 3197 M HA 0.333 4.827 4.480 0.023 0.000 0.357 3197 M C -0.278 176.025 176.300 0.004 0.000 1.059 3197 M CA 0.234 55.539 55.300 0.008 0.000 0.959 3197 M CB 0.688 33.299 32.600 0.019 0.000 1.522 3197 M HN 0.534 nan 8.290 nan 0.000 0.551 3198 E N -1.051 119.150 120.200 0.002 0.000 2.603 3198 E HA 0.068 4.432 4.350 0.023 0.000 0.218 3198 E C 1.743 178.333 176.600 -0.016 0.000 0.878 3198 E CA 0.522 56.919 56.400 -0.005 0.000 1.348 3198 E CB 0.410 30.110 29.700 0.001 0.000 1.318 3198 E HN 0.295 nan 8.360 nan 0.000 0.673 3199 S N 0.792 116.484 115.700 -0.014 0.000 2.383 3199 S HA -0.067 4.417 4.470 0.023 0.000 0.227 3199 S C 2.209 176.796 174.600 -0.022 0.000 1.026 3199 S CA 0.927 59.116 58.200 -0.019 0.000 0.981 3199 S CB -0.234 62.956 63.200 -0.016 0.000 0.818 3199 S HN 0.222 nan 8.310 nan 0.000 0.472 3200 A N 1.849 124.659 122.820 -0.016 0.000 1.877 3200 A HA -0.044 4.290 4.320 0.023 0.000 0.216 3200 A C 2.450 180.031 177.584 -0.005 0.000 1.186 3200 A CA 2.186 54.221 52.037 -0.003 0.000 0.620 3200 A CB -1.714 17.289 19.000 0.005 0.000 0.822 3200 A HN 0.569 nan 8.150 nan 0.000 0.443 3201 T N 0.037 114.580 114.554 -0.018 0.000 2.674 3201 T HA -0.129 4.235 4.350 0.023 0.000 0.265 3201 T C 1.878 176.492 174.700 -0.144 0.000 1.039 3201 T CA 1.513 63.586 62.100 -0.046 0.000 1.150 3201 T CB -0.457 68.393 68.868 -0.030 0.000 0.864 3201 T HN 0.337 nan 8.240 nan 0.000 0.427 3202 L N 1.113 122.259 121.223 -0.129 0.000 1.990 3202 L HA -0.054 4.300 4.340 0.023 0.000 0.213 3202 L C 2.218 178.990 176.870 -0.164 0.000 1.072 3202 L CA 1.758 56.491 54.840 -0.179 0.000 0.755 3202 L CB -0.763 41.230 42.059 -0.110 0.000 0.889 3202 L HN 0.255 nan 8.230 nan 0.000 0.432 3203 L N -1.392 119.785 121.223 -0.077 0.000 2.056 3203 L HA -0.185 4.169 4.340 0.023 0.000 0.207 3203 L C 2.369 179.235 176.870 -0.007 0.000 1.078 3203 L CA 1.707 56.532 54.840 -0.025 0.000 0.749 3203 L CB -1.209 40.857 42.059 0.012 0.000 0.901 3203 L HN 0.315 nan 8.230 nan 0.000 0.433 3204 T N 0.751 115.300 114.554 -0.009 0.000 2.708 3204 T HA -0.227 4.137 4.350 0.023 0.000 0.266 3204 T C 1.863 176.469 174.700 -0.156 0.000 1.037 3204 T CA 1.986 64.100 62.100 0.023 0.000 1.146 3204 T CB -0.281 68.627 68.868 0.066 0.000 0.865 3204 T HN 0.447 nan 8.240 nan 0.000 0.435 3205 M N 0.242 119.611 119.600 -0.384 0.000 2.229 3205 M HA -0.009 4.485 4.480 0.023 0.000 0.264 3205 M C 2.214 178.242 176.300 -0.453 0.000 1.063 3205 M CA 1.475 56.304 55.300 -0.785 0.000 1.114 3205 M CB -1.081 30.572 32.600 -1.579 0.000 1.387 3205 M HN 0.188 nan 8.290 nan 0.000 0.420 3206 C N 1.302 120.428 119.300 -0.290 0.000 2.500 3206 C HA 0.201 4.675 4.460 0.023 0.000 0.279 3206 C C 3.279 178.251 174.990 -0.030 0.000 1.288 3206 C CA 0.903 59.831 59.018 -0.149 0.000 1.710 3206 C CB -1.075 26.607 27.740 -0.096 0.000 2.052 3206 C HN 0.758 nan 8.230 nan 0.000 0.488 3207 A N 1.078 123.917 122.820 0.032 0.000 2.019 3207 A HA -0.124 4.210 4.320 0.023 0.000 0.219 3207 A C 2.130 179.820 177.584 0.177 0.000 1.164 3207 A CA 2.104 54.240 52.037 0.165 0.000 0.644 3207 A CB -0.563 18.624 19.000 0.312 0.000 0.805 3207 A HN 0.711 nan 8.150 nan 0.000 0.449 3208 S N -1.993 113.681 115.700 -0.043 0.000 2.556 3208 S HA 0.181 4.665 4.470 0.023 0.000 0.216 3208 S C 0.928 175.485 174.600 -0.072 0.000 0.970 3208 S CA 0.205 58.284 58.200 -0.202 0.000 0.912 3208 S CB 0.110 62.966 63.200 -0.574 0.000 0.790 3208 S HN 0.628 nan 8.310 nan 0.000 0.504 3209 Q N 0.195 119.978 119.800 -0.029 0.000 2.086 3209 Q HA 0.341 4.695 4.340 0.023 0.000 0.220 3209 Q C 0.705 176.723 176.000 0.029 0.000 0.792 3209 Q CA 0.088 55.891 55.803 -0.000 0.000 1.062 3209 Q CB 1.100 29.828 28.738 -0.018 0.000 1.198 3209 Q HN 0.636 nan 8.270 nan 0.000 0.466 3210 G N 1.427 110.255 108.800 0.046 0.000 2.153 3210 G HA2 -0.276 3.698 3.960 0.023 0.000 0.252 3210 G HA3 -0.276 3.698 3.960 0.023 0.000 0.252 3210 G C -0.038 174.906 174.900 0.073 0.000 0.994 3210 G CA 0.201 45.338 45.100 0.061 0.000 0.698 3210 G HN 0.257 nan 8.290 nan 0.000 0.521 3211 L N -0.256 121.015 121.223 0.079 0.000 2.334 3211 L HA 0.630 4.984 4.340 0.023 0.000 0.275 3211 L C 1.001 177.950 176.870 0.131 0.000 1.036 3211 L CA -1.073 53.846 54.840 0.132 0.000 0.807 3211 L CB 1.198 43.362 42.059 0.174 0.000 1.231 3211 L HN 0.049 nan 8.230 nan 0.000 0.438 3212 R N 1.852 122.445 120.500 0.156 0.000 2.312 3212 R HA 0.737 5.091 4.340 0.023 0.000 0.311 3212 R C -0.724 175.680 176.300 0.172 0.000 1.004 3212 R CA -0.506 55.671 56.100 0.128 0.000 0.902 3212 R CB 1.583 31.935 30.300 0.087 0.000 1.073 3212 R HN 0.707 nan 8.270 nan 0.000 0.457 3213 A N 1.607 124.501 122.820 0.123 0.000 2.393 3213 A HA 0.774 5.108 4.320 0.023 0.000 0.306 3213 A C -0.571 177.056 177.584 0.071 0.000 1.050 3213 A CA -0.668 51.441 52.037 0.120 0.000 0.724 3213 A CB 2.062 21.104 19.000 0.071 0.000 1.248 3213 A HN 0.764 nan 8.150 nan 0.000 0.424 3214 G N -0.049 108.789 108.800 0.064 0.000 2.498 3214 G HA2 0.667 4.641 3.960 0.023 0.000 0.312 3214 G HA3 0.667 4.641 3.960 0.023 0.000 0.312 3214 G C -1.076 173.842 174.900 0.031 0.000 1.230 3214 G CA -0.583 44.536 45.100 0.032 0.000 0.968 3214 G HN 1.025 nan 8.290 nan 0.000 0.481 3215 M N 1.854 121.463 119.600 0.015 0.000 2.224 3215 M HA 0.661 5.155 4.480 0.023 0.000 0.281 3215 M C -1.825 174.479 176.300 0.007 0.000 1.025 3215 M CA -0.871 54.436 55.300 0.013 0.000 0.954 3215 M CB 1.792 34.396 32.600 0.007 0.000 1.639 3215 M HN 0.676 nan 8.290 nan 0.000 0.461 3216 V N 4.188 124.108 119.914 0.010 0.000 2.841 3216 V HA 1.049 5.183 4.120 0.023 0.000 0.310 3216 V C -1.643 174.459 176.094 0.013 0.000 1.090 3216 V CA 0.136 62.441 62.300 0.009 0.000 0.930 3216 V CB 1.956 33.782 31.823 0.005 0.000 1.014 3216 V HN 1.211 nan 8.190 nan 0.000 0.425 3217 A N 3.733 126.562 122.820 0.014 0.000 2.549 3217 A HA 0.908 5.242 4.320 0.023 0.000 0.297 3217 A C -0.245 177.351 177.584 0.020 0.000 1.061 3217 A CA -0.155 51.892 52.037 0.016 0.000 0.690 3217 A CB 1.867 20.875 19.000 0.013 0.000 1.287 3217 A HN 1.605 nan 8.150 nan 0.000 0.402 3218 G N 0.154 108.966 108.800 0.019 0.000 2.332 3218 G HA2 0.523 4.497 3.960 0.023 0.000 0.310 3218 G HA3 0.523 4.497 3.960 0.023 0.000 0.310 3218 G C -0.423 174.485 174.900 0.012 0.000 1.123 3218 G CA -0.344 44.767 45.100 0.018 0.000 0.873 3218 G HN 0.901 nan 8.290 nan 0.000 0.460 3219 V N 3.656 123.576 119.914 0.010 0.000 2.479 3219 V HA 0.084 4.218 4.120 0.023 0.000 0.281 3219 V C 1.396 177.491 176.094 0.001 0.000 1.031 3219 V CA 0.208 62.511 62.300 0.004 0.000 1.038 3219 V CB 0.733 32.556 31.823 -0.000 0.000 0.981 3219 V HN 0.769 nan 8.190 nan 0.000 0.478 3220 I N 3.217 123.792 120.570 0.009 0.000 4.070 3220 I HA 0.504 4.688 4.170 0.023 0.000 0.328 3220 I C 0.279 176.406 176.117 0.016 0.000 1.298 3220 I CA 0.354 61.662 61.300 0.012 0.000 1.173 3220 I CB 1.028 39.042 38.000 0.023 0.000 1.051 3220 I HN 0.423 nan 8.210 nan 0.000 0.409 3221 V N 1.413 121.335 119.914 0.013 0.000 3.048 3221 V HA 0.440 4.574 4.120 0.023 0.000 0.303 3221 V C -1.730 174.365 176.094 0.001 0.000 1.214 3221 V CA -0.619 61.688 62.300 0.012 0.000 0.984 3221 V CB 2.370 34.207 31.823 0.023 0.000 1.054 3221 V HN 0.342 nan 8.190 nan 0.000 0.430 3222 N N 4.544 123.244 118.700 -0.000 0.000 2.444 3222 N HA 0.378 5.132 4.740 0.023 0.000 0.262 3222 N C 0.628 176.143 175.510 0.008 0.000 0.974 3222 N CA -0.554 52.492 53.050 -0.008 0.000 0.933 3222 N CB 1.651 40.127 38.487 -0.018 0.000 1.137 3222 N HN 0.594 nan 8.380 nan 0.000 0.498 3223 R N 1.030 121.540 120.500 0.017 0.000 2.235 3223 R HA -0.043 4.311 4.340 0.023 0.000 0.213 3223 R C 1.504 177.829 176.300 0.043 0.000 1.059 3223 R CA 0.900 57.024 56.100 0.039 0.000 0.997 3223 R CB -0.716 29.632 30.300 0.080 0.000 0.884 3223 R HN 0.698 nan 8.270 nan 0.000 0.462 3224 T N -2.439 112.132 114.554 0.028 0.000 3.035 3224 T HA -0.061 4.303 4.350 0.023 0.000 0.268 3224 T C 1.627 176.343 174.700 0.027 0.000 1.109 3224 T CA 0.810 62.927 62.100 0.029 0.000 1.119 3224 T CB 0.179 69.059 68.868 0.020 0.000 0.900 3224 T HN 0.272 nan 8.240 nan 0.000 0.503 3225 Q N 0.587 120.401 119.800 0.024 0.000 2.388 3225 Q HA 0.230 4.584 4.340 0.023 0.000 0.204 3225 Q C 0.925 176.943 176.000 0.029 0.000 0.946 3225 Q CA 0.271 56.088 55.803 0.023 0.000 0.880 3225 Q CB 0.316 29.065 28.738 0.017 0.000 0.997 3225 Q HN 0.780 nan 8.270 nan 0.000 0.552 3226 Q N -1.083 118.735 119.800 0.032 0.000 2.482 3226 Q HA 0.289 4.643 4.340 0.023 0.000 0.286 3226 Q C -0.384 175.640 176.000 0.039 0.000 1.007 3226 Q CA -0.535 55.291 55.803 0.039 0.000 0.801 3226 Q CB 1.174 29.935 28.738 0.038 0.000 1.455 3226 Q HN -0.042 nan 8.270 nan 0.000 0.398 3227 E N 0.358 120.588 120.200 0.051 0.000 2.060 3227 E HA 0.073 4.438 4.350 0.023 0.000 0.189 3227 E C 0.365 176.989 176.600 0.041 0.000 0.974 3227 E CA 0.677 57.099 56.400 0.038 0.000 0.808 3227 E CB 0.376 30.120 29.700 0.074 0.000 0.768 3227 E HN 0.436 nan 8.360 nan 0.000 0.453 3228 I N 2.608 123.231 120.570 0.089 0.000 2.336 3228 I HA 0.231 4.415 4.170 0.023 0.000 0.292 3228 I C -2.328 173.845 176.117 0.093 0.000 0.991 3228 I CA -3.104 58.275 61.300 0.131 0.000 1.227 3228 I CB 0.634 38.726 38.000 0.154 0.000 1.366 3228 I HN -0.219 nan 8.210 nan 0.000 0.466 3229 P HA 0.093 nan 4.420 nan 0.000 0.269 3229 P C -0.547 176.784 177.300 0.051 0.000 1.209 3229 P CA -0.306 62.834 63.100 0.067 0.000 0.776 3229 P CB 0.319 32.065 31.700 0.076 0.000 0.876 3230 N N 1.264 119.984 118.700 0.034 0.000 2.447 3230 N HA 0.145 4.900 4.740 0.023 0.000 0.263 3230 N C 0.604 176.125 175.510 0.018 0.000 1.226 3230 N CA 0.156 53.221 53.050 0.024 0.000 0.906 3230 N CB 0.178 38.675 38.487 0.016 0.000 1.060 3230 N HN 0.431 nan 8.380 nan 0.000 0.468 3239 S N -1.311 114.414 115.700 0.041 0.000 2.522 3239 S HA -0.115 4.369 4.470 0.023 0.000 0.227 3239 S C 1.571 176.261 174.600 0.150 0.000 0.986 3239 S CA 0.702 58.948 58.200 0.076 0.000 0.929 3239 S CB -0.204 63.035 63.200 0.066 0.000 0.769 3239 S HN 0.290 nan 8.310 nan 0.000 0.529 3240 H N 2.527 121.588 119.070 -0.015 0.000 2.319 3240 H HA 0.126 4.696 4.556 0.023 0.000 0.299 3240 H C 2.558 177.876 175.328 -0.017 0.000 1.092 3240 H CA 1.452 57.490 56.048 -0.016 0.000 1.302 3240 H CB -0.993 28.760 29.762 -0.015 0.000 1.373 3240 H HN 0.570 nan 8.280 nan 0.000 0.497 3241 A N 0.186 123.079 122.820 0.121 0.000 1.902 3241 A HA -0.138 4.196 4.320 0.023 0.000 0.217 3241 A C 2.720 180.321 177.584 0.027 0.000 1.181 3241 A CA 1.862 53.932 52.037 0.054 0.000 0.623 3241 A CB -0.845 18.180 19.000 0.040 0.000 0.818 3241 A HN 0.251 nan 8.150 nan 0.000 0.443 3242 V N 0.069 119.999 119.914 0.026 0.000 2.358 3242 V HA -0.269 3.865 4.120 0.023 0.000 0.246 3242 V C 2.397 178.488 176.094 -0.004 0.000 1.047 3242 V CA 2.296 64.599 62.300 0.006 0.000 1.035 3242 V CB -0.767 31.056 31.823 -0.001 0.000 0.658 3242 V HN 0.534 nan 8.190 nan 0.000 0.452 3243 K N -0.077 120.321 120.400 -0.003 0.000 2.074 3243 K HA -0.168 4.166 4.320 0.023 0.000 0.209 3243 K C 2.040 178.620 176.600 -0.034 0.000 1.048 3243 K CA 1.805 58.076 56.287 -0.027 0.000 0.926 3243 K CB -0.365 32.104 32.500 -0.053 0.000 0.713 3243 K HN 0.399 nan 8.250 nan 0.000 0.444 3244 I N 0.138 120.690 120.570 -0.029 0.000 2.202 3244 I HA -0.255 3.929 4.170 0.023 0.000 0.242 3244 I C 2.336 178.439 176.117 -0.024 0.000 1.091 3244 I CA 0.822 62.103 61.300 -0.032 0.000 1.368 3244 I CB -0.221 37.764 38.000 -0.024 0.000 1.058 3244 I HN -0.002 nan 8.210 nan 0.000 0.410 3245 V N 0.451 120.356 119.914 -0.014 0.000 2.407 3245 V HA -0.216 3.918 4.120 0.023 0.000 0.248 3245 V C 2.378 178.462 176.094 -0.016 0.000 1.055 3245 V CA 1.744 64.037 62.300 -0.011 0.000 1.049 3245 V CB 0.098 31.920 31.823 -0.002 0.000 0.662 3245 V HN 0.217 nan 8.190 nan 0.000 0.455 3246 V N 0.047 119.950 119.914 -0.018 0.000 2.358 3246 V HA -0.205 3.929 4.120 0.023 0.000 0.246 3246 V C 2.506 178.586 176.094 -0.023 0.000 1.047 3246 V CA 2.250 64.538 62.300 -0.020 0.000 1.035 3246 V CB -0.711 31.100 31.823 -0.021 0.000 0.658 3246 V HN 0.684 nan 8.190 nan 0.000 0.452 3247 E N 0.961 121.144 120.200 -0.028 0.000 2.110 3247 E HA -0.163 4.201 4.350 0.023 0.000 0.193 3247 E C 2.083 178.664 176.600 -0.032 0.000 0.988 3247 E CA 1.647 58.028 56.400 -0.032 0.000 0.804 3247 E CB -0.459 29.218 29.700 -0.039 0.000 0.745 3247 E HN 0.500 nan 8.360 nan 0.000 0.458 3248 A N 0.927 123.727 122.820 -0.032 0.000 1.902 3248 A HA -0.034 4.300 4.320 0.023 0.000 0.217 3248 A C 2.488 180.054 177.584 -0.031 0.000 1.181 3248 A CA 2.073 54.090 52.037 -0.035 0.000 0.623 3248 A CB -1.140 17.840 19.000 -0.034 0.000 0.818 3248 A HN 0.403 nan 8.150 nan 0.000 0.443 3249 A N 0.020 122.824 122.820 -0.026 0.000 1.948 3249 A HA -0.232 4.102 4.320 0.023 0.000 0.220 3249 A C 2.203 179.771 177.584 -0.025 0.000 1.177 3249 A CA 1.701 53.722 52.037 -0.026 0.000 0.636 3249 A CB -0.550 18.436 19.000 -0.023 0.000 0.815 3249 A HN 0.584 nan 8.150 nan 0.000 0.449 3250 R N -0.974 119.512 120.500 -0.024 0.000 2.117 3250 R HA -0.114 4.240 4.340 0.023 0.000 0.243 3250 R C 1.880 178.167 176.300 -0.022 0.000 1.143 3250 R CA 1.362 57.449 56.100 -0.021 0.000 0.968 3250 R CB -0.265 30.022 30.300 -0.021 0.000 0.863 3250 R HN 0.349 nan 8.270 nan 0.000 0.444 3251 R N 0.422 120.907 120.500 -0.025 0.000 2.299 3251 R HA 0.075 4.429 4.340 0.023 0.000 0.197 3251 R C 1.488 177.774 176.300 -0.023 0.000 0.971 3251 R CA 0.620 56.705 56.100 -0.025 0.000 1.030 3251 R CB 0.055 30.335 30.300 -0.033 0.000 0.932 3251 R HN 0.293 nan 8.270 nan 0.000 0.477 3252 L N 0.346 121.554 121.223 -0.024 0.000 2.693 3252 L HA 0.260 4.614 4.340 0.023 0.000 0.235 3252 L C 0.603 177.460 176.870 -0.022 0.000 1.127 3252 L CA -0.123 54.704 54.840 -0.022 0.000 0.914 3252 L CB 0.143 42.187 42.059 -0.026 0.000 1.193 3252 L HN -0.080 nan 8.230 nan 0.000 0.502 3253 L N 0.000 121.210 121.223 -0.021 0.000 2.949 3253 L HA 0.000 4.354 4.340 0.023 0.000 0.249 3253 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 3253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 3253 L HN 0.000 nan 8.230 nan 0.000 0.502