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 1y1q_1_C 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 TQXXXXXXXX XXQTESHAVK 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 0.000 174.606 174.600 0.011 0.000 1.055 3004 S CA 0.000 58.204 58.200 0.006 0.000 1.107 3004 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 3005 D N 2.756 123.168 120.400 0.020 0.000 2.427 3005 D HA 0.366 5.006 4.640 -0.000 0.000 0.224 3005 D C -0.038 176.288 176.300 0.044 0.000 1.157 3005 D CA -0.248 53.770 54.000 0.029 0.000 0.828 3005 D CB 0.907 41.721 40.800 0.023 0.000 0.974 3005 D HN 0.240 nan 8.370 nan 0.000 0.498 3006 V N 1.538 121.480 119.914 0.046 0.000 2.498 3006 V HA 0.127 4.247 4.120 -0.000 0.000 0.283 3006 V C 0.153 176.287 176.094 0.067 0.000 1.015 3006 V CA -0.946 61.394 62.300 0.068 0.000 0.867 3006 V CB 0.881 32.734 31.823 0.049 0.000 1.025 3006 V HN 0.080 nan 8.190 nan 0.000 0.441 3007 F N 4.225 124.132 119.950 -0.072 0.000 2.063 3007 F HA -0.317 4.210 4.527 -0.000 0.000 0.296 3007 F C 1.721 177.369 175.800 -0.252 0.000 1.093 3007 F CA 3.111 61.008 58.000 -0.171 0.000 1.229 3007 F CB 0.005 38.875 39.000 -0.217 0.000 0.971 3007 F HN 0.811 nan 8.300 nan 0.000 0.491 3008 H N -1.479 117.523 119.070 -0.113 0.000 2.418 3008 H HA 0.190 4.746 4.556 0.000 0.000 0.300 3008 H C 2.065 177.307 175.328 -0.144 0.000 1.041 3008 H CA 1.201 57.123 56.048 -0.210 0.000 1.364 3008 H CB -0.222 29.430 29.762 -0.184 0.000 1.439 3008 H HN 0.199 nan 8.280 nan 0.000 0.540 3009 L N -0.434 120.780 121.223 -0.015 0.000 2.395 3009 L HA 0.125 4.465 4.340 -0.000 0.000 0.218 3009 L C 1.289 178.284 176.870 0.207 0.000 1.130 3009 L CA 0.579 55.458 54.840 0.064 0.000 0.826 3009 L CB -0.301 41.751 42.059 -0.012 0.000 0.941 3009 L HN 0.501 nan 8.230 nan 0.000 0.451 3010 G N 1.273 110.133 108.800 0.101 0.000 2.249 3010 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.273 3010 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.273 3010 G C -0.070 174.898 174.900 0.114 0.000 1.036 3010 G CA 0.170 45.345 45.100 0.126 0.000 0.824 3010 G HN 0.266 nan 8.290 nan 0.000 0.504 3011 L N 0.015 121.276 121.223 0.064 0.000 2.354 3011 L HA 0.797 5.137 4.340 -0.000 0.000 0.269 3011 L C 0.871 177.756 176.870 0.026 0.000 1.005 3011 L CA -0.536 54.328 54.840 0.040 0.000 0.819 3011 L CB 2.274 44.355 42.059 0.036 0.000 1.311 3011 L HN 0.354 nan 8.230 nan 0.000 0.423 3012 T N -2.692 111.872 114.554 0.016 0.000 2.938 3012 T HA 0.305 4.655 4.350 -0.000 0.000 0.285 3012 T C 0.704 175.409 174.700 0.009 0.000 1.028 3012 T CA -0.764 61.344 62.100 0.013 0.000 1.005 3012 T CB 2.037 70.910 68.868 0.007 0.000 1.157 3012 T HN 0.569 nan 8.240 nan 0.000 0.550 3013 K N 0.271 120.677 120.400 0.009 0.000 2.103 3013 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 3013 K C 1.812 178.412 176.600 0.001 0.000 1.048 3013 K CA 1.735 58.026 56.287 0.006 0.000 0.930 3013 K CB -0.352 32.153 32.500 0.007 0.000 0.716 3013 K HN 0.616 nan 8.250 nan 0.000 0.444 3014 N N 0.672 119.371 118.700 -0.001 0.000 2.396 3014 N HA -0.091 4.649 4.740 -0.000 0.000 0.180 3014 N C 0.741 176.245 175.510 -0.010 0.000 1.028 3014 N CA 1.048 54.094 53.050 -0.006 0.000 0.893 3014 N CB 0.105 38.588 38.487 -0.007 0.000 0.967 3014 N HN 0.200 nan 8.380 nan 0.000 0.440 3015 D N 0.015 120.409 120.400 -0.010 0.000 2.263 3015 D HA -0.078 4.562 4.640 -0.000 0.000 0.208 3015 D C 1.276 177.567 176.300 -0.014 0.000 0.971 3015 D CA 0.704 54.694 54.000 -0.017 0.000 0.867 3015 D CB 0.103 40.894 40.800 -0.015 0.000 0.929 3015 D HN 0.228 nan 8.370 nan 0.000 0.492 3016 L N 0.366 121.584 121.223 -0.009 0.000 2.341 3016 L HA 0.012 4.352 4.340 -0.000 0.000 0.214 3016 L C 0.914 177.777 176.870 -0.012 0.000 1.115 3016 L CA 0.510 55.344 54.840 -0.010 0.000 0.820 3016 L CB -0.171 41.881 42.059 -0.012 0.000 0.944 3016 L HN -0.087 nan 8.230 nan 0.000 0.452 3017 Q N -0.423 119.370 119.800 -0.011 0.000 2.494 3017 Q HA -0.275 4.065 4.340 -0.000 0.000 0.272 3017 Q C 1.194 177.187 176.000 -0.011 0.000 1.145 3017 Q CA 0.876 56.673 55.803 -0.011 0.000 0.943 3017 Q CB -2.349 26.383 28.738 -0.010 0.000 1.338 3017 Q HN 0.658 nan 8.270 nan 0.000 0.492 3018 G N -1.586 107.206 108.800 -0.013 0.000 2.175 3018 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 3018 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 3018 G C 0.387 175.273 174.900 -0.023 0.000 0.982 3018 G CA 0.313 45.404 45.100 -0.015 0.000 0.641 3018 G HN 1.286 nan 8.290 nan 0.000 0.527 3019 A N -0.316 122.488 122.820 -0.027 0.000 2.587 3019 A HA 0.497 4.817 4.320 -0.000 0.000 0.233 3019 A C 1.059 178.607 177.584 -0.060 0.000 1.049 3019 A CA 1.783 53.796 52.037 -0.041 0.000 0.754 3019 A CB 0.175 19.150 19.000 -0.041 0.000 0.977 3019 A HN 0.642 nan 8.150 nan 0.000 0.509 3020 Q N 0.250 120.002 119.800 -0.080 0.000 2.143 3020 Q HA 0.320 4.660 4.340 -0.000 0.000 0.242 3020 Q C -0.273 175.624 176.000 -0.171 0.000 0.790 3020 Q CA -0.084 55.657 55.803 -0.102 0.000 0.954 3020 Q CB 0.700 29.400 28.738 -0.063 0.000 1.155 3020 Q HN 0.753 nan 8.270 nan 0.000 0.474 3021 L N 0.528 121.655 121.223 -0.161 0.000 2.342 3021 L HA 0.874 5.214 4.340 -0.000 0.000 0.271 3021 L C -1.713 175.030 176.870 -0.212 0.000 1.008 3021 L CA -0.647 54.074 54.840 -0.200 0.000 0.818 3021 L CB 1.740 43.730 42.059 -0.114 0.000 1.296 3021 L HN -0.068 nan 8.230 nan 0.000 0.427 3022 A N 5.375 128.029 122.820 -0.276 0.000 2.422 3022 A HA 0.680 5.000 4.320 -0.000 0.000 0.302 3022 A C -1.200 176.340 177.584 -0.074 0.000 1.041 3022 A CA -0.532 51.395 52.037 -0.183 0.000 0.708 3022 A CB 1.262 20.103 19.000 -0.265 0.000 1.257 3022 A HN 0.641 nan 8.150 nan 0.000 0.414 3023 I N 2.711 123.273 120.570 -0.013 0.000 2.321 3023 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 3023 I C -0.318 175.831 176.117 0.054 0.000 0.998 3023 I CA -0.803 60.508 61.300 0.019 0.000 1.227 3023 I CB 1.809 39.812 38.000 0.005 0.000 1.368 3023 I HN 0.477 nan 8.210 nan 0.000 0.466 3024 V N 5.688 125.651 119.914 0.082 0.000 2.250 3024 V HA 0.483 4.603 4.120 -0.000 0.000 0.268 3024 V C -2.490 173.646 176.094 0.070 0.000 1.043 3024 V CA -1.813 60.547 62.300 0.101 0.000 0.814 3024 V CB 0.379 32.296 31.823 0.157 0.000 1.072 3024 V HN 0.481 nan 8.190 nan 0.000 0.451 3025 P HA 0.345 nan 4.420 nan 0.000 0.278 3025 P C 0.834 178.154 177.300 0.034 0.000 1.266 3025 P CA 0.107 63.224 63.100 0.028 0.000 0.807 3025 P CB 2.001 33.705 31.700 0.006 0.000 1.094 3026 G N -0.719 108.092 108.800 0.017 0.000 2.595 3026 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.213 3026 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.213 3026 G C 0.214 175.108 174.900 -0.010 0.000 1.141 3026 G CA 0.343 45.449 45.100 0.010 0.000 0.806 3026 G HN 0.483 nan 8.290 nan 0.000 0.530 3027 D N 0.393 120.784 120.400 -0.015 0.000 2.274 3027 D HA 0.263 4.903 4.640 -0.000 0.000 0.239 3027 D C -1.172 175.113 176.300 -0.024 0.000 1.104 3027 D CA -2.480 51.503 54.000 -0.029 0.000 0.840 3027 D CB 2.401 43.181 40.800 -0.033 0.000 1.100 3027 D HN -0.024 nan 8.370 nan 0.000 0.477 3028 P HA -0.134 nan 4.420 nan 0.000 0.221 3028 P C 0.487 177.776 177.300 -0.018 0.000 1.145 3028 P CA 0.969 64.067 63.100 -0.002 0.000 0.795 3028 P CB 0.457 32.155 31.700 -0.004 0.000 0.775 3029 E N -0.483 119.696 120.200 -0.035 0.000 2.358 3029 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 3029 E C 1.969 178.520 176.600 -0.083 0.000 1.010 3029 E CA 0.320 56.690 56.400 -0.050 0.000 0.856 3029 E CB -0.137 29.538 29.700 -0.041 0.000 0.795 3029 E HN 0.121 nan 8.360 nan 0.000 0.504 3030 R N 0.186 120.640 120.500 -0.077 0.000 2.246 3030 R HA 0.018 4.358 4.340 -0.000 0.000 0.199 3030 R C 2.024 178.242 176.300 -0.137 0.000 0.984 3030 R CA 0.177 56.222 56.100 -0.091 0.000 1.015 3030 R CB -0.019 30.247 30.300 -0.056 0.000 0.930 3030 R HN -0.029 nan 8.270 nan 0.000 0.475 3031 V N 1.123 120.951 119.914 -0.143 0.000 2.219 3031 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 3031 V C 2.252 178.076 176.094 -0.450 0.000 1.053 3031 V CA 2.337 64.519 62.300 -0.196 0.000 1.009 3031 V CB -0.608 31.156 31.823 -0.097 0.000 0.636 3031 V HN 0.402 nan 8.190 nan 0.000 0.445 3032 E N 1.303 121.064 120.200 -0.732 0.000 2.049 3032 E HA -0.292 4.058 4.350 -0.000 0.000 0.198 3032 E C 1.995 178.203 176.600 -0.653 0.000 1.007 3032 E CA 2.185 57.872 56.400 -1.188 0.000 0.809 3032 E CB -0.536 28.602 29.700 -0.936 0.000 0.749 3032 E HN 0.618 nan 8.360 nan 0.000 0.450 3033 K N 0.136 120.310 120.400 -0.377 0.000 2.044 3033 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 3033 K C 2.441 178.926 176.600 -0.191 0.000 1.049 3033 K CA 1.916 58.065 56.287 -0.230 0.000 0.927 3033 K CB -0.431 31.978 32.500 -0.151 0.000 0.713 3033 K HN 0.264 nan 8.250 nan 0.000 0.443 3034 I N 1.146 121.606 120.570 -0.183 0.000 2.252 3034 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 3034 I C 2.582 178.626 176.117 -0.123 0.000 1.102 3034 I CA 1.022 62.249 61.300 -0.122 0.000 1.385 3034 I CB -0.407 37.538 38.000 -0.091 0.000 1.064 3034 I HN 0.170 nan 8.210 nan 0.000 0.414 3035 A N 0.707 123.415 122.820 -0.188 0.000 1.972 3035 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 3035 A C 2.354 179.884 177.584 -0.089 0.000 1.169 3035 A CA 1.570 53.538 52.037 -0.116 0.000 0.635 3035 A CB -0.649 18.270 19.000 -0.136 0.000 0.810 3035 A HN 0.427 nan 8.150 nan 0.000 0.446 3036 A N -1.188 121.531 122.820 -0.168 0.000 2.239 3036 A HA 0.306 4.626 4.320 -0.000 0.000 0.209 3036 A C 1.646 179.198 177.584 -0.054 0.000 1.171 3036 A CA 0.649 52.628 52.037 -0.097 0.000 0.768 3036 A CB -0.444 18.477 19.000 -0.132 0.000 0.790 3036 A HN 0.411 nan 8.150 nan 0.000 0.478 3037 L N -1.207 119.984 121.223 -0.054 0.000 2.529 3037 L HA 0.256 4.596 4.340 -0.000 0.000 0.223 3037 L C 0.786 177.643 176.870 -0.020 0.000 1.113 3037 L CA 0.447 55.265 54.840 -0.037 0.000 0.861 3037 L CB -0.050 41.984 42.059 -0.042 0.000 1.012 3037 L HN 0.401 nan 8.230 nan 0.000 0.461 3038 M N -2.012 117.583 119.600 -0.009 0.000 2.796 3038 M HA 0.341 4.821 4.480 -0.000 0.000 0.303 3038 M C -0.774 175.538 176.300 0.020 0.000 1.240 3038 M CA -0.994 54.308 55.300 0.004 0.000 0.831 3038 M CB 1.240 33.844 32.600 0.007 0.000 1.750 3038 M HN -0.206 nan 8.290 nan 0.000 0.484 3039 D N 0.764 121.176 120.400 0.020 0.000 2.360 3039 D HA 0.094 4.734 4.640 -0.000 0.000 0.242 3039 D C -0.114 176.212 176.300 0.043 0.000 1.184 3039 D CA 0.001 54.017 54.000 0.027 0.000 0.930 3039 D CB 0.384 41.194 40.800 0.016 0.000 1.161 3039 D HN 0.416 nan 8.370 nan 0.000 0.447 3040 K N -0.292 120.135 120.400 0.045 0.000 3.177 3040 K HA -0.122 4.198 4.320 -0.000 0.000 0.266 3040 K C -2.383 174.271 176.600 0.090 0.000 0.937 3040 K CA 0.185 56.503 56.287 0.052 0.000 0.702 3040 K CB -1.264 31.254 32.500 0.030 0.000 1.365 3040 K HN 0.359 nan 8.250 nan 0.000 0.466 3041 P HA 0.070 nan 4.420 nan 0.000 0.271 3041 P C -0.524 176.940 177.300 0.273 0.000 1.233 3041 P CA -0.020 63.263 63.100 0.304 0.000 0.764 3041 P CB 1.017 32.921 31.700 0.340 0.000 0.825 3042 V N 4.212 124.195 119.914 0.116 0.000 2.656 3042 V HA 0.324 4.444 4.120 -0.000 0.000 0.307 3042 V C 0.302 175.924 176.094 -0.787 0.000 1.051 3042 V CA -0.948 61.184 62.300 -0.279 0.000 0.893 3042 V CB 2.204 33.932 31.823 -0.158 0.000 0.999 3042 V HN 0.416 nan 8.190 nan 0.000 0.426 3043 K N 3.504 123.129 120.400 -1.292 0.000 2.258 3043 K HA 0.498 4.818 4.320 -0.000 0.000 0.284 3043 K C 0.176 176.389 176.600 -0.645 0.000 1.051 3043 K CA -0.083 55.295 56.287 -1.514 0.000 0.923 3043 K CB 0.853 32.604 32.500 -1.248 0.000 1.046 3043 K HN 0.620 nan 8.250 nan 0.000 0.474 3044 L N 2.309 123.269 121.223 -0.439 0.000 2.286 3044 L HA 0.408 4.748 4.340 -0.000 0.000 0.203 3044 L C 0.608 177.378 176.870 -0.167 0.000 1.068 3044 L CA 0.301 55.013 54.840 -0.214 0.000 0.811 3044 L CB 0.029 42.025 42.059 -0.105 0.000 0.989 3044 L HN 0.837 nan 8.230 nan 0.000 0.467 3045 A N -1.110 121.613 122.820 -0.162 0.000 2.490 3045 A HA 0.558 4.878 4.320 -0.000 0.000 0.292 3045 A C -1.186 176.307 177.584 -0.151 0.000 1.047 3045 A CA -0.177 51.757 52.037 -0.171 0.000 0.632 3045 A CB 1.212 20.140 19.000 -0.120 0.000 1.323 3045 A HN -0.166 nan 8.150 nan 0.000 0.448 3046 S N 0.396 115.903 115.700 -0.321 0.000 2.536 3046 S HA 0.571 5.041 4.470 -0.000 0.000 0.246 3046 S C -1.834 172.563 174.600 -0.339 0.000 1.077 3046 S CA -0.468 57.616 58.200 -0.193 0.000 1.091 3046 S CB 0.108 63.259 63.200 -0.080 0.000 1.148 3046 S HN 0.796 nan 8.310 nan 0.000 0.447 3047 H N 3.707 122.854 119.070 0.128 0.000 2.600 3047 H HA 0.599 5.155 4.556 -0.000 0.000 0.357 3047 H C 0.847 176.263 175.328 0.147 0.000 1.106 3047 H CA -0.420 55.703 56.048 0.124 0.000 1.193 3047 H CB 1.471 31.311 29.762 0.131 0.000 1.594 3047 H HN 0.700 nan 8.280 nan 0.000 0.526 3048 R N 0.966 121.571 120.500 0.176 0.000 3.750 3048 R HA -0.300 4.040 4.340 -0.000 0.000 0.495 3048 R C 0.783 176.987 176.300 -0.160 0.000 0.241 3048 R CA 1.831 57.938 56.100 0.011 0.000 1.551 3048 R CB -0.830 29.491 30.300 0.036 0.000 0.956 3048 R HN 0.693 nan 8.270 nan 0.000 0.584 3049 E N 0.685 120.584 120.200 -0.502 0.000 2.482 3049 E HA 0.020 4.370 4.350 -0.000 0.000 0.196 3049 E C -0.159 176.140 176.600 -0.501 0.000 1.047 3049 E CA 0.520 56.591 56.400 -0.548 0.000 0.869 3049 E CB -0.058 29.236 29.700 -0.677 0.000 0.836 3049 E HN 0.192 nan 8.360 nan 0.000 0.520 3050 F N 1.417 121.407 119.950 0.067 0.000 2.335 3050 F HA 0.224 4.751 4.527 -0.000 0.000 0.365 3050 F C 0.347 176.189 175.800 0.071 0.000 1.122 3050 F CA -1.010 57.035 58.000 0.076 0.000 1.151 3050 F CB 0.684 39.743 39.000 0.098 0.000 1.282 3050 F HN -0.275 nan 8.300 nan 0.000 0.513 3051 T N -0.481 114.197 114.554 0.207 0.000 2.756 3051 T HA 0.589 4.939 4.350 -0.000 0.000 0.290 3051 T C -0.190 174.658 174.700 0.247 0.000 0.985 3051 T CA -0.792 61.420 62.100 0.187 0.000 0.955 3051 T CB 1.019 69.990 68.868 0.173 0.000 0.930 3051 T HN 0.490 nan 8.240 nan 0.000 0.451 3052 S N 2.869 118.700 115.700 0.217 0.000 2.472 3052 S HA 0.769 5.239 4.470 -0.000 0.000 0.303 3052 S C -1.243 173.500 174.600 0.237 0.000 1.099 3052 S CA -0.959 57.374 58.200 0.220 0.000 1.077 3052 S CB 0.746 64.027 63.200 0.134 0.000 1.031 3052 S HN 0.797 nan 8.310 nan 0.000 0.487 3053 W N 1.092 122.398 121.300 0.010 0.000 2.882 3053 W HA 0.659 5.319 4.660 -0.000 0.000 0.345 3053 W C 0.170 176.687 176.519 -0.004 0.000 1.125 3053 W CA -0.874 56.471 57.345 -0.000 0.000 1.167 3053 W CB 1.929 31.388 29.460 -0.002 0.000 1.431 3053 W HN 0.749 nan 8.180 nan 0.000 0.543 3054 R N 1.530 122.146 120.500 0.192 0.000 2.637 3054 R HA 0.880 5.220 4.340 -0.000 0.000 0.291 3054 R C -0.769 175.621 176.300 0.150 0.000 0.963 3054 R CA -0.400 55.770 56.100 0.116 0.000 0.901 3054 R CB 1.559 31.877 30.300 0.030 0.000 1.160 3054 R HN 0.608 nan 8.270 nan 0.000 0.457 3055 A N 2.176 125.057 122.820 0.102 0.000 2.504 3055 A HA 0.532 4.852 4.320 -0.000 0.000 0.285 3055 A C -1.500 176.110 177.584 0.044 0.000 1.261 3055 A CA -0.640 51.450 52.037 0.088 0.000 0.741 3055 A CB 1.920 20.967 19.000 0.079 0.000 1.327 3055 A HN 0.700 nan 8.150 nan 0.000 0.441 3056 E N 0.176 120.395 120.200 0.033 0.000 2.283 3056 E HA 0.445 4.795 4.350 -0.000 0.000 0.258 3056 E C -2.266 174.339 176.600 0.009 0.000 0.893 3056 E CA -0.526 55.884 56.400 0.016 0.000 0.798 3056 E CB 1.562 31.271 29.700 0.014 0.000 1.242 3056 E HN 0.469 nan 8.360 nan 0.000 0.414 3057 L N 4.781 126.004 121.223 0.001 0.000 2.287 3057 L HA 0.348 4.688 4.340 -0.000 0.000 0.287 3057 L C -0.387 176.478 176.870 -0.008 0.000 1.022 3057 L CA 0.138 54.975 54.840 -0.005 0.000 0.814 3057 L CB 0.965 43.018 42.059 -0.010 0.000 1.217 3057 L HN 0.600 nan 8.230 nan 0.000 0.420 3058 D N 4.785 125.180 120.400 -0.008 0.000 2.686 3058 D HA -0.220 4.420 4.640 -0.000 0.000 0.235 3058 D C 1.149 177.445 176.300 -0.007 0.000 1.160 3058 D CA 1.345 55.340 54.000 -0.008 0.000 0.645 3058 D CB -0.709 40.084 40.800 -0.011 0.000 1.039 3058 D HN 1.199 nan 8.370 nan 0.000 0.423 3059 G N -0.015 108.782 108.800 -0.005 0.000 2.212 3059 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.266 3059 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.266 3059 G C 0.377 175.273 174.900 -0.005 0.000 0.978 3059 G CA 0.983 46.081 45.100 -0.004 0.000 0.632 3059 G HN 0.605 nan 8.290 nan 0.000 0.537 3060 K N 0.808 121.204 120.400 -0.007 0.000 2.206 3060 K HA 0.742 5.062 4.320 -0.000 0.000 0.264 3060 K C 0.665 177.259 176.600 -0.010 0.000 0.967 3060 K CA -0.154 56.127 56.287 -0.010 0.000 0.844 3060 K CB 1.156 33.648 32.500 -0.014 0.000 1.099 3060 K HN 0.644 nan 8.250 nan 0.000 0.441 3061 A N 3.027 125.840 122.820 -0.010 0.000 2.511 3061 A HA 0.295 4.615 4.320 -0.000 0.000 0.242 3061 A C -0.565 177.010 177.584 -0.015 0.000 1.069 3061 A CA -0.154 51.878 52.037 -0.008 0.000 0.763 3061 A CB 0.288 19.283 19.000 -0.010 0.000 1.001 3061 A HN 0.468 nan 8.150 nan 0.000 0.498 3062 V N 4.017 123.928 119.914 -0.006 0.000 2.876 3062 V HA 0.459 4.579 4.120 -0.000 0.000 0.312 3062 V C -0.465 175.632 176.094 0.006 0.000 1.085 3062 V CA -0.651 61.641 62.300 -0.013 0.000 0.945 3062 V CB 1.953 33.771 31.823 -0.009 0.000 1.017 3062 V HN 0.768 nan 8.190 nan 0.000 0.428 3063 I N 3.499 124.064 120.570 -0.009 0.000 2.530 3063 I HA 0.574 4.744 4.170 -0.000 0.000 0.297 3063 I C -0.618 175.519 176.117 0.034 0.000 1.011 3063 I CA -0.644 60.669 61.300 0.023 0.000 1.107 3063 I CB 2.191 40.191 38.000 -0.001 0.000 1.285 3063 I HN 0.276 nan 8.210 nan 0.000 0.436 3064 V N 4.626 124.591 119.914 0.085 0.000 2.444 3064 V HA 0.426 4.546 4.120 -0.000 0.000 0.294 3064 V C -0.517 175.649 176.094 0.120 0.000 1.022 3064 V CA -0.525 61.821 62.300 0.077 0.000 0.850 3064 V CB 2.022 33.876 31.823 0.051 0.000 0.992 3064 V HN 0.884 nan 8.190 nan 0.000 0.426 3065 C N 5.129 124.498 119.300 0.114 0.000 2.446 3065 C HA 0.700 5.160 4.460 -0.000 0.000 0.329 3065 C C 0.658 175.744 174.990 0.160 0.000 1.166 3065 C CA -0.340 58.770 59.018 0.154 0.000 1.341 3065 C CB 0.982 28.815 27.740 0.155 0.000 1.970 3065 C HN 1.084 nan 8.230 nan 0.000 0.452 3066 S N 3.521 119.320 115.700 0.164 0.000 2.579 3066 S HA 0.312 4.782 4.470 -0.000 0.000 0.275 3066 S C 0.959 175.690 174.600 0.218 0.000 1.345 3066 S CA 0.526 58.805 58.200 0.133 0.000 1.031 3066 S CB 1.225 64.468 63.200 0.071 0.000 0.892 3066 S HN 1.077 nan 8.310 nan 0.000 0.529 3067 T N -1.374 113.270 114.554 0.151 0.000 2.990 3067 T HA 0.546 4.896 4.350 -0.000 0.000 0.249 3067 T C 1.172 175.912 174.700 0.066 0.000 1.039 3067 T CA 0.421 62.641 62.100 0.201 0.000 1.036 3067 T CB -0.764 68.184 68.868 0.134 0.000 0.994 3067 T HN 2.039 nan 8.240 nan 0.000 0.489 3068 G N 1.384 110.163 108.800 -0.035 0.000 2.728 3068 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.294 3068 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.294 3068 G C -0.740 174.133 174.900 -0.046 0.000 1.342 3068 G CA -0.562 44.473 45.100 -0.108 0.000 0.866 3068 G HN 0.615 nan 8.290 nan 0.000 0.534 3069 I N 2.113 122.651 120.570 -0.053 0.000 2.371 3069 I HA 0.535 4.705 4.170 -0.000 0.000 0.290 3069 I C 1.093 177.203 176.117 -0.011 0.000 1.028 3069 I CA 1.029 62.313 61.300 -0.026 0.000 1.345 3069 I CB 0.736 38.716 38.000 -0.033 0.000 1.407 3069 I HN 2.043 nan 8.210 nan 0.000 0.501 3070 G N 3.890 112.692 108.800 0.002 0.000 2.663 3070 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.686 3070 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.686 3070 G C 0.519 175.426 174.900 0.011 0.000 1.246 3070 G CA -0.449 44.655 45.100 0.006 0.000 0.795 3070 G HN 0.916 nan 8.290 nan 0.000 0.627 3071 G N 0.155 108.959 108.800 0.007 0.000 2.422 3071 G HA2 0.134 4.094 3.960 -0.000 0.000 0.218 3071 G HA3 0.134 4.094 3.960 -0.000 0.000 0.218 3071 G C 0.098 175.009 174.900 0.019 0.000 1.146 3071 G CA 1.987 47.092 45.100 0.008 0.000 0.769 3071 G HN 0.672 nan 8.290 nan 0.000 0.547 3072 P HA -0.127 nan 4.420 nan 0.000 0.214 3072 P C 2.477 179.812 177.300 0.057 0.000 1.163 3072 P CA 2.373 65.484 63.100 0.019 0.000 0.883 3072 P CB -0.225 31.480 31.700 0.009 0.000 0.788 3073 S N -1.908 113.835 115.700 0.071 0.000 2.402 3073 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 3073 S C 1.892 176.624 174.600 0.219 0.000 1.021 3073 S CA 1.814 60.111 58.200 0.161 0.000 0.974 3073 S CB -1.978 61.263 63.200 0.069 0.000 0.800 3073 S HN 0.099 nan 8.310 nan 0.000 0.484 3074 T N 2.939 117.564 114.554 0.117 0.000 2.788 3074 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 3074 T C 2.256 176.975 174.700 0.032 0.000 1.044 3074 T CA 1.604 63.755 62.100 0.085 0.000 1.139 3074 T CB -0.647 68.236 68.868 0.026 0.000 0.867 3074 T HN 0.797 nan 8.240 nan 0.000 0.454 3075 S N 1.125 116.848 115.700 0.037 0.000 2.447 3075 S HA 0.039 4.509 4.470 -0.000 0.000 0.233 3075 S C 2.005 176.625 174.600 0.034 0.000 1.006 3075 S CA 0.509 58.733 58.200 0.040 0.000 0.957 3075 S CB -0.661 62.665 63.200 0.210 0.000 0.773 3075 S HN 0.501 nan 8.310 nan 0.000 0.507 3076 I N 1.836 122.411 120.570 0.008 0.000 2.277 3076 I HA -0.015 4.155 4.170 -0.000 0.000 0.243 3076 I C 3.065 179.082 176.117 -0.166 0.000 1.094 3076 I CA 0.930 62.171 61.300 -0.099 0.000 1.393 3076 I CB -0.674 37.168 38.000 -0.263 0.000 1.078 3076 I HN 0.395 nan 8.210 nan 0.000 0.417 3077 A N 0.732 123.461 122.820 -0.151 0.000 1.877 3077 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 3077 A C 2.433 180.024 177.584 0.012 0.000 1.186 3077 A CA 1.782 53.751 52.037 -0.114 0.000 0.620 3077 A CB -1.018 18.036 19.000 0.091 0.000 0.822 3077 A HN 0.214 nan 8.150 nan 0.000 0.443 3078 V N 0.170 120.074 119.914 -0.017 0.000 2.295 3078 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 3078 V C 2.643 178.711 176.094 -0.042 0.000 1.049 3078 V CA 2.542 64.777 62.300 -0.108 0.000 1.024 3078 V CB -0.761 30.802 31.823 -0.434 0.000 0.648 3078 V HN 0.768 nan 8.190 nan 0.000 0.447 3079 E N 0.737 120.909 120.200 -0.046 0.000 2.051 3079 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 3079 E C 2.088 178.721 176.600 0.056 0.000 0.991 3079 E CA 1.795 58.203 56.400 0.013 0.000 0.799 3079 E CB -0.273 29.459 29.700 0.053 0.000 0.748 3079 E HN 0.664 nan 8.360 nan 0.000 0.449 3080 E N -0.378 119.846 120.200 0.041 0.000 2.274 3080 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 3080 E C 1.985 178.624 176.600 0.064 0.000 0.996 3080 E CA 0.494 56.922 56.400 0.047 0.000 0.840 3080 E CB 0.032 29.741 29.700 0.016 0.000 0.772 3080 E HN 0.323 nan 8.360 nan 0.000 0.491 3081 L N 0.006 121.293 121.223 0.105 0.000 2.209 3081 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 3081 L C 2.390 179.353 176.870 0.155 0.000 1.094 3081 L CA 0.563 55.483 54.840 0.133 0.000 0.790 3081 L CB -0.167 42.020 42.059 0.214 0.000 0.932 3081 L HN 0.132 nan 8.230 nan 0.000 0.447 3082 A N -0.672 122.285 122.820 0.228 0.000 1.968 3082 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 3082 A C 2.140 179.788 177.584 0.108 0.000 1.169 3082 A CA 0.921 53.085 52.037 0.212 0.000 0.638 3082 A CB -0.237 18.890 19.000 0.211 0.000 0.812 3082 A HN 0.413 nan 8.150 nan 0.000 0.446 3083 Q N -0.496 119.355 119.800 0.086 0.000 2.167 3083 Q HA -0.008 4.332 4.340 -0.000 0.000 0.202 3083 Q C 1.599 177.627 176.000 0.048 0.000 0.970 3083 Q CA 1.075 56.914 55.803 0.060 0.000 0.855 3083 Q CB -0.216 28.555 28.738 0.056 0.000 0.911 3083 Q HN 0.677 nan 8.270 nan 0.000 0.438 3084 L N -1.445 119.807 121.223 0.048 0.000 2.554 3084 L HA 0.122 4.462 4.340 -0.000 0.000 0.226 3084 L C 1.190 178.072 176.870 0.018 0.000 1.137 3084 L CA 0.603 55.461 54.840 0.030 0.000 0.863 3084 L CB 0.244 42.319 42.059 0.026 0.000 0.985 3084 L HN 0.394 nan 8.230 nan 0.000 0.451 3085 G N -0.037 108.779 108.800 0.025 0.000 2.205 3085 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.180 3085 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.180 3085 G C 0.168 175.057 174.900 -0.018 0.000 1.004 3085 G CA -0.685 44.421 45.100 0.009 0.000 0.670 3085 G HN 0.140 nan 8.290 nan 0.000 0.496 3086 I N 1.003 121.552 120.570 -0.035 0.000 2.441 3086 I HA 0.355 4.525 4.170 -0.000 0.000 0.287 3086 I C 1.384 177.441 176.117 -0.100 0.000 1.049 3086 I CA -0.510 60.679 61.300 -0.184 0.000 1.381 3086 I CB 1.105 38.866 38.000 -0.399 0.000 1.409 3086 I HN -0.013 nan 8.210 nan 0.000 0.523 3087 R N 2.707 123.122 120.500 -0.142 0.000 2.435 3087 R HA 0.212 4.552 4.340 -0.000 0.000 0.221 3087 R C -0.093 176.254 176.300 0.077 0.000 0.885 3087 R CA 0.297 56.430 56.100 0.055 0.000 1.018 3087 R CB 0.411 30.733 30.300 0.037 0.000 1.259 3087 R HN 0.470 nan 8.270 nan 0.000 0.597 3088 T N 1.991 116.444 114.554 -0.167 0.000 2.792 3088 T HA 0.594 4.944 4.350 -0.000 0.000 0.280 3088 T C -0.982 173.555 174.700 -0.273 0.000 0.990 3088 T CA -0.240 61.822 62.100 -0.063 0.000 0.960 3088 T CB 0.954 69.788 68.868 -0.057 0.000 0.939 3088 T HN -0.184 nan 8.240 nan 0.000 0.439 3089 F N 2.760 122.705 119.950 -0.008 0.000 2.493 3089 F HA 0.576 5.103 4.527 -0.000 0.000 0.329 3089 F C -0.211 175.584 175.800 -0.008 0.000 1.126 3089 F CA -1.257 56.738 58.000 -0.008 0.000 0.937 3089 F CB 1.323 40.314 39.000 -0.015 0.000 1.146 3089 F HN 0.214 nan 8.300 nan 0.000 0.442 3090 L N 4.133 125.435 121.223 0.132 0.000 2.342 3090 L HA 0.522 4.862 4.340 -0.000 0.000 0.276 3090 L C -0.162 176.754 176.870 0.075 0.000 0.997 3090 L CA -0.675 54.212 54.840 0.078 0.000 0.838 3090 L CB 1.882 43.958 42.059 0.029 0.000 1.224 3090 L HN 0.611 nan 8.230 nan 0.000 0.416 3091 R N 3.389 123.930 120.500 0.069 0.000 2.254 3091 R HA 0.520 4.860 4.340 -0.000 0.000 0.318 3091 R C -1.037 175.282 176.300 0.032 0.000 1.031 3091 R CA -0.619 55.513 56.100 0.053 0.000 0.905 3091 R CB 1.410 31.737 30.300 0.045 0.000 1.050 3091 R HN 0.510 nan 8.270 nan 0.000 0.456 3092 I N 3.526 124.111 120.570 0.026 0.000 2.404 3092 I HA 0.651 4.821 4.170 -0.000 0.000 0.293 3092 I C -0.678 175.447 176.117 0.014 0.000 0.992 3092 I CA -0.219 61.090 61.300 0.016 0.000 1.149 3092 I CB 1.781 39.785 38.000 0.008 0.000 1.315 3092 I HN 0.755 nan 8.210 nan 0.000 0.446 3093 G N 4.019 112.827 108.800 0.013 0.000 2.727 3093 G HA2 0.665 4.625 3.960 -0.000 0.000 0.289 3093 G HA3 0.665 4.625 3.960 -0.000 0.000 0.289 3093 G C -1.336 173.571 174.900 0.011 0.000 1.418 3093 G CA -0.345 44.763 45.100 0.012 0.000 0.818 3093 G HN 0.704 nan 8.290 nan 0.000 0.486 3094 T N -2.430 112.131 114.554 0.013 0.000 2.856 3094 T HA 0.780 5.130 4.350 -0.000 0.000 0.283 3094 T C -0.252 174.459 174.700 0.019 0.000 1.008 3094 T CA -0.548 61.560 62.100 0.013 0.000 0.997 3094 T CB 2.128 71.003 68.868 0.011 0.000 0.992 3094 T HN 0.906 nan 8.240 nan 0.000 0.454 3095 T N 0.036 114.599 114.554 0.015 0.000 2.671 3095 T HA 0.737 5.087 4.350 -0.000 0.000 0.300 3095 T C -1.103 173.603 174.700 0.010 0.000 1.238 3095 T CA -0.348 61.762 62.100 0.016 0.000 1.020 3095 T CB 1.358 70.232 68.868 0.009 0.000 1.503 3095 T HN 1.209 nan 8.240 nan 0.000 0.497 3096 G N 0.768 109.573 108.800 0.008 0.000 2.626 3096 G HA2 0.688 4.648 3.960 -0.000 0.000 0.304 3096 G HA3 0.688 4.648 3.960 -0.000 0.000 0.304 3096 G C -0.402 174.493 174.900 -0.008 0.000 1.385 3096 G CA -0.079 45.022 45.100 0.002 0.000 0.957 3096 G HN 0.911 nan 8.290 nan 0.000 0.504 3097 A N 1.945 124.743 122.820 -0.037 0.000 2.351 3097 A HA 0.579 4.899 4.320 -0.000 0.000 0.257 3097 A C 1.146 178.697 177.584 -0.055 0.000 1.087 3097 A CA -0.433 51.558 52.037 -0.077 0.000 0.798 3097 A CB 0.247 19.167 19.000 -0.132 0.000 1.033 3097 A HN 1.300 nan 8.150 nan 0.000 0.488 3098 I N -2.199 118.325 120.570 -0.077 0.000 4.025 3098 I HA 0.231 4.401 4.170 -0.000 0.000 0.336 3098 I C -0.269 175.837 176.117 -0.020 0.000 1.390 3098 I CA -0.250 61.031 61.300 -0.032 0.000 1.099 3098 I CB 0.111 38.072 38.000 -0.064 0.000 1.049 3098 I HN 0.332 nan 8.210 nan 0.000 0.394 3099 Q N 3.141 122.908 119.800 -0.055 0.000 2.307 3099 Q HA 0.354 4.694 4.340 -0.000 0.000 0.262 3099 Q C -1.825 174.163 176.000 -0.019 0.000 0.961 3099 Q CA -2.032 53.770 55.803 -0.001 0.000 0.882 3099 Q CB 2.019 30.761 28.738 0.008 0.000 1.264 3099 Q HN 0.075 nan 8.270 nan 0.000 0.446 3100 P HA -0.181 nan 4.420 nan 0.000 0.223 3100 P C 0.678 178.011 177.300 0.055 0.000 1.144 3100 P CA 1.406 64.532 63.100 0.043 0.000 0.783 3100 P CB 0.135 31.869 31.700 0.056 0.000 0.771 3101 H N -1.165 117.877 119.070 -0.048 0.000 2.526 3101 H HA 0.270 4.826 4.556 0.000 0.000 0.274 3101 H C 0.297 175.585 175.328 -0.068 0.000 0.999 3101 H CA -0.424 55.600 56.048 -0.039 0.000 1.157 3101 H CB -0.650 29.095 29.762 -0.029 0.000 1.407 3101 H HN 0.141 nan 8.280 nan 0.000 0.568 3102 I N 2.893 123.190 120.570 -0.456 0.000 2.330 3102 I HA 0.152 4.322 4.170 -0.000 0.000 0.289 3102 I C -0.381 175.651 176.117 -0.141 0.000 1.001 3102 I CA -0.722 60.328 61.300 -0.417 0.000 1.193 3102 I CB 1.176 38.855 38.000 -0.535 0.000 1.345 3102 I HN 0.090 nan 8.210 nan 0.000 0.461 3103 N N 5.255 123.931 118.700 -0.041 0.000 2.482 3103 N HA 0.369 5.109 4.740 -0.000 0.000 0.279 3103 N C -0.406 175.096 175.510 -0.013 0.000 1.182 3103 N CA -0.640 52.401 53.050 -0.015 0.000 0.969 3103 N CB 1.874 40.365 38.487 0.007 0.000 1.201 3103 N HN 0.157 nan 8.380 nan 0.000 0.523 3104 V N 0.336 120.240 119.914 -0.016 0.000 2.673 3104 V HA 0.274 4.394 4.120 -0.000 0.000 0.303 3104 V C 1.478 177.554 176.094 -0.030 0.000 1.046 3104 V CA 0.885 63.172 62.300 -0.020 0.000 1.126 3104 V CB 0.102 31.913 31.823 -0.018 0.000 0.934 3104 V HN 1.078 nan 8.190 nan 0.000 0.487 3105 G N 3.432 112.208 108.800 -0.039 0.000 2.176 3105 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.232 3105 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.232 3105 G C -0.254 174.613 174.900 -0.055 0.000 0.986 3105 G CA 0.026 45.081 45.100 -0.075 0.000 0.643 3105 G HN 0.732 nan 8.290 nan 0.000 0.522 3106 D N -0.427 119.969 120.400 -0.008 0.000 2.283 3106 D HA 0.567 5.207 4.640 -0.000 0.000 0.248 3106 D C 0.244 176.566 176.300 0.036 0.000 1.072 3106 D CA -0.136 53.882 54.000 0.030 0.000 0.929 3106 D CB 1.991 42.859 40.800 0.113 0.000 1.182 3106 D HN 0.116 nan 8.370 nan 0.000 0.433 3107 V N 2.581 122.516 119.914 0.035 0.000 2.398 3107 V HA 0.344 4.464 4.120 -0.000 0.000 0.286 3107 V C -0.314 175.809 176.094 0.049 0.000 1.026 3107 V CA -0.696 61.625 62.300 0.035 0.000 0.868 3107 V CB 1.060 32.900 31.823 0.028 0.000 0.982 3107 V HN 0.330 nan 8.190 nan 0.000 0.443 3108 L N 5.730 126.982 121.223 0.048 0.000 2.313 3108 L HA 0.660 5.000 4.340 -0.000 0.000 0.283 3108 L C -0.651 176.237 176.870 0.030 0.000 1.013 3108 L CA -0.799 54.074 54.840 0.054 0.000 0.816 3108 L CB 1.842 43.921 42.059 0.035 0.000 1.236 3108 L HN 0.306 nan 8.230 nan 0.000 0.419 3109 V N 1.650 121.582 119.914 0.031 0.000 2.417 3109 V HA 0.348 4.468 4.120 -0.000 0.000 0.291 3109 V C 0.227 176.332 176.094 0.018 0.000 1.024 3109 V CA -0.416 61.894 62.300 0.017 0.000 0.861 3109 V CB 1.834 33.663 31.823 0.009 0.000 0.985 3109 V HN 0.736 nan 8.190 nan 0.000 0.436 3110 T N 3.242 117.802 114.554 0.010 0.000 2.744 3110 T HA 0.254 4.604 4.350 -0.000 0.000 0.291 3110 T C 1.235 175.943 174.700 0.014 0.000 0.957 3110 T CA 0.174 62.278 62.100 0.006 0.000 1.002 3110 T CB 1.305 70.170 68.868 -0.004 0.000 0.919 3110 T HN 0.983 nan 8.240 nan 0.000 0.468 3111 T N 0.825 115.390 114.554 0.018 0.000 2.939 3111 T HA 0.500 4.850 4.350 -0.000 0.000 0.254 3111 T C 0.727 175.441 174.700 0.024 0.000 1.041 3111 T CA 0.230 62.349 62.100 0.032 0.000 1.142 3111 T CB 0.204 69.094 68.868 0.038 0.000 0.874 3111 T HN 0.709 nan 8.240 nan 0.000 0.452 3112 A N 0.129 122.953 122.820 0.006 0.000 2.612 3112 A HA 0.696 5.016 4.320 -0.000 0.000 0.293 3112 A C -1.022 176.547 177.584 -0.025 0.000 1.075 3112 A CA -0.836 51.201 52.037 -0.001 0.000 0.680 3112 A CB 1.504 20.503 19.000 -0.002 0.000 1.279 3112 A HN 0.223 nan 8.150 nan 0.000 0.411 3113 S N -0.126 115.558 115.700 -0.027 0.000 2.513 3113 S HA 0.566 5.036 4.470 -0.000 0.000 0.299 3113 S C -0.376 174.176 174.600 -0.079 0.000 1.087 3113 S CA -0.561 57.602 58.200 -0.061 0.000 1.012 3113 S CB 1.678 64.851 63.200 -0.046 0.000 1.044 3113 S HN 0.821 nan 8.310 nan 0.000 0.485 3114 V N 3.460 123.275 119.914 -0.165 0.000 2.479 3114 V HA 0.136 4.256 4.120 -0.000 0.000 0.281 3114 V C 0.575 176.596 176.094 -0.121 0.000 1.031 3114 V CA -0.005 62.169 62.300 -0.210 0.000 1.038 3114 V CB -0.151 31.352 31.823 -0.535 0.000 0.981 3114 V HN 0.695 nan 8.190 nan 0.000 0.478 3115 R N 5.440 125.923 120.500 -0.030 0.000 2.878 3115 R HA 0.283 4.623 4.340 -0.000 0.000 0.239 3115 R C 0.154 176.493 176.300 0.065 0.000 1.515 3115 R CA 0.031 56.146 56.100 0.026 0.000 1.210 3115 R CB -0.105 30.234 30.300 0.065 0.000 1.209 3115 R HN 0.663 nan 8.270 nan 0.000 0.610 3116 L N 2.131 123.393 121.223 0.064 0.000 2.912 3116 L HA 0.159 4.499 4.340 -0.000 0.000 0.240 3116 L C 0.243 177.188 176.870 0.125 0.000 1.262 3116 L CA -0.303 54.634 54.840 0.161 0.000 1.058 3116 L CB -0.643 41.547 42.059 0.218 0.000 1.383 3116 L HN 0.552 nan 8.230 nan 0.000 0.512 3117 D N -1.243 119.208 120.400 0.085 0.000 2.666 3117 D HA 0.360 5.000 4.640 -0.000 0.000 0.252 3117 D C 0.723 177.063 176.300 0.067 0.000 1.143 3117 D CA -0.233 53.803 54.000 0.059 0.000 1.096 3117 D CB 1.834 42.653 40.800 0.031 0.000 1.260 3117 D HN -0.080 nan 8.370 nan 0.000 0.633 3118 G N -1.791 107.027 108.800 0.030 0.000 2.801 3118 G HA2 0.312 4.272 3.960 -0.000 0.000 0.213 3118 G HA3 0.312 4.272 3.960 -0.000 0.000 0.213 3118 G C 1.042 175.884 174.900 -0.097 0.000 1.052 3118 G CA 0.572 45.686 45.100 0.022 0.000 0.868 3118 G HN 0.610 nan 8.290 nan 0.000 0.589 3119 A N 1.541 124.269 122.820 -0.153 0.000 2.067 3119 A HA 0.141 4.461 4.320 -0.000 0.000 0.217 3119 A C 2.567 180.168 177.584 0.029 0.000 1.156 3119 A CA 2.031 53.896 52.037 -0.286 0.000 0.683 3119 A CB -0.417 18.521 19.000 -0.103 0.000 0.808 3119 A HN 0.647 nan 8.150 nan 0.000 0.455 3120 S N 0.358 116.130 115.700 0.121 0.000 2.383 3120 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 3120 S C 1.674 176.403 174.600 0.215 0.000 1.026 3120 S CA 1.302 59.636 58.200 0.224 0.000 0.981 3120 S CB -0.711 62.566 63.200 0.128 0.000 0.818 3120 S HN 0.430 nan 8.310 nan 0.000 0.472 3121 L N 0.898 122.220 121.223 0.164 0.000 2.456 3121 L HA -0.006 4.334 4.340 -0.000 0.000 0.224 3121 L C 2.244 179.204 176.870 0.151 0.000 1.148 3121 L CA 1.037 55.972 54.840 0.158 0.000 0.825 3121 L CB -0.686 41.470 42.059 0.162 0.000 0.937 3121 L HN 0.500 nan 8.230 nan 0.000 0.450 3122 H N -1.974 117.008 119.070 -0.147 0.000 2.539 3122 H HA 0.037 4.593 4.556 -0.000 0.000 0.267 3122 H C 1.221 176.162 175.328 -0.645 0.000 0.982 3122 H CA 0.429 56.237 56.048 -0.401 0.000 1.146 3122 H CB 0.411 29.844 29.762 -0.549 0.000 1.382 3122 H HN 0.351 nan 8.280 nan 0.000 0.577 3123 F N -0.258 119.716 119.950 0.039 0.000 2.740 3123 F HA 0.454 4.981 4.527 -0.000 0.000 0.304 3123 F C 0.757 176.469 175.800 -0.146 0.000 1.098 3123 F CA -0.055 57.905 58.000 -0.066 0.000 1.258 3123 F CB 1.188 40.126 39.000 -0.103 0.000 1.061 3123 F HN -0.020 nan 8.300 nan 0.000 0.598 3124 A N 0.406 123.246 122.820 0.033 0.000 2.594 3124 A HA 0.544 4.864 4.320 -0.000 0.000 0.296 3124 A C -2.862 174.755 177.584 0.054 0.000 1.056 3124 A CA -1.253 50.756 52.037 -0.046 0.000 0.693 3124 A CB 0.458 19.271 19.000 -0.311 0.000 1.278 3124 A HN -0.172 nan 8.150 nan 0.000 0.408 3125 P HA 0.099 nan 4.420 nan 0.000 0.269 3125 P C 0.910 178.293 177.300 0.139 0.000 1.215 3125 P CA -0.113 63.044 63.100 0.096 0.000 0.780 3125 P CB 0.473 32.226 31.700 0.089 0.000 0.898 3126 M N 2.471 122.139 119.600 0.113 0.000 2.192 3126 M HA -0.242 4.238 4.480 -0.000 0.000 0.256 3126 M C 1.387 177.764 176.300 0.128 0.000 1.076 3126 M CA 2.032 57.402 55.300 0.117 0.000 1.075 3126 M CB -1.249 31.405 32.600 0.091 0.000 1.368 3126 M HN 0.336 nan 8.290 nan 0.000 0.406 3127 E N -1.013 119.260 120.200 0.121 0.000 2.265 3127 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 3127 E C 0.336 177.004 176.600 0.115 0.000 0.996 3127 E CA 0.480 56.940 56.400 0.099 0.000 0.832 3127 E CB -0.502 29.245 29.700 0.079 0.000 0.756 3127 E HN 0.505 nan 8.360 nan 0.000 0.491 3128 F N 2.572 122.544 119.950 0.036 0.000 2.529 3128 F HA 0.151 4.678 4.527 0.000 0.000 0.365 3128 F C -1.996 173.823 175.800 0.030 0.000 1.102 3128 F CA -2.735 55.285 58.000 0.034 0.000 1.271 3128 F CB 0.602 39.628 39.000 0.044 0.000 1.120 3128 F HN -0.127 nan 8.300 nan 0.000 0.579 3129 P HA 0.182 nan 4.420 nan 0.000 0.287 3129 P C -1.311 176.071 177.300 0.138 0.000 1.281 3129 P CA -0.427 62.649 63.100 -0.040 0.000 0.781 3129 P CB 1.318 32.912 31.700 -0.176 0.000 0.903 3130 A N 4.301 127.200 122.820 0.131 0.000 3.048 3130 A HA 0.239 4.559 4.320 -0.000 0.000 0.264 3130 A C 0.330 177.955 177.584 0.069 0.000 1.796 3130 A CA -0.288 51.821 52.037 0.121 0.000 1.445 3130 A CB -1.003 18.038 19.000 0.068 0.000 1.074 3130 A HN 0.483 nan 8.150 nan 0.000 0.621 3131 V N 1.732 121.695 119.914 0.082 0.000 2.532 3131 V HA 0.698 4.818 4.120 -0.000 0.000 0.295 3131 V C 0.679 176.812 176.094 0.065 0.000 1.041 3131 V CA -0.154 62.176 62.300 0.050 0.000 0.926 3131 V CB 1.344 33.178 31.823 0.018 0.000 0.992 3131 V HN 0.904 nan 8.190 nan 0.000 0.457 3132 A N 4.243 127.096 122.820 0.055 0.000 2.296 3132 A HA 0.408 4.728 4.320 -0.000 0.000 0.264 3132 A C -0.001 177.634 177.584 0.085 0.000 1.097 3132 A CA -0.182 51.890 52.037 0.059 0.000 0.811 3132 A CB 0.174 19.201 19.000 0.046 0.000 1.072 3132 A HN 1.019 nan 8.150 nan 0.000 0.495 3133 D N -0.832 119.618 120.400 0.084 0.000 2.304 3133 D HA 0.256 4.896 4.640 -0.000 0.000 0.250 3133 D C 0.672 177.050 176.300 0.130 0.000 1.107 3133 D CA -0.336 53.730 54.000 0.110 0.000 0.885 3133 D CB 0.259 41.114 40.800 0.092 0.000 1.192 3133 D HN 0.346 nan 8.370 nan 0.000 0.436 3134 F N 4.287 124.249 119.950 0.021 0.000 2.069 3134 F HA -0.149 4.378 4.527 0.000 0.000 0.298 3134 F C 2.007 177.816 175.800 0.015 0.000 1.113 3134 F CA 1.914 59.923 58.000 0.015 0.000 1.214 3134 F CB -0.664 38.343 39.000 0.012 0.000 0.978 3134 F HN 0.525 nan 8.300 nan 0.000 0.474 3135 A N -0.113 122.655 122.820 -0.086 0.000 1.849 3135 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 3135 A C 2.472 179.947 177.584 -0.182 0.000 1.202 3135 A CA 2.206 54.135 52.037 -0.180 0.000 0.629 3135 A CB -1.694 17.291 19.000 -0.024 0.000 0.834 3135 A HN 0.593 nan 8.150 nan 0.000 0.447 3136 C N -0.988 118.266 119.300 -0.076 0.000 2.385 3136 C HA -0.160 4.300 4.460 -0.000 0.000 0.275 3136 C C 3.054 177.993 174.990 -0.085 0.000 1.207 3136 C CA 1.725 60.711 59.018 -0.053 0.000 1.760 3136 C CB -1.800 25.942 27.740 0.003 0.000 2.051 3136 C HN 0.693 nan 8.230 nan 0.000 0.467 3137 T N 0.191 114.686 114.554 -0.100 0.000 2.746 3137 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 3137 T C 1.748 176.348 174.700 -0.166 0.000 1.039 3137 T CA 2.127 64.169 62.100 -0.097 0.000 1.142 3137 T CB -0.518 68.323 68.868 -0.045 0.000 0.866 3137 T HN 0.632 nan 8.240 nan 0.000 0.444 3138 T N 1.969 116.326 114.554 -0.328 0.000 2.746 3138 T HA 0.000 4.350 4.350 -0.000 0.000 0.267 3138 T C 2.432 177.019 174.700 -0.189 0.000 1.039 3138 T CA 1.110 63.008 62.100 -0.336 0.000 1.142 3138 T CB -0.571 67.954 68.868 -0.573 0.000 0.866 3138 T HN 0.438 nan 8.240 nan 0.000 0.444 3139 A N 1.446 124.167 122.820 -0.164 0.000 1.865 3139 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 3139 A C 2.316 179.855 177.584 -0.075 0.000 1.191 3139 A CA 1.394 53.370 52.037 -0.102 0.000 0.623 3139 A CB -1.005 17.945 19.000 -0.082 0.000 0.826 3139 A HN 0.467 nan 8.150 nan 0.000 0.444 3140 L N -0.483 120.700 121.223 -0.066 0.000 2.042 3140 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 3140 L C 2.543 179.387 176.870 -0.044 0.000 1.076 3140 L CA 1.185 55.998 54.840 -0.045 0.000 0.749 3140 L CB -0.566 41.474 42.059 -0.032 0.000 0.893 3140 L HN 0.270 nan 8.230 nan 0.000 0.432 3141 V N -0.291 119.590 119.914 -0.055 0.000 2.295 3141 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 3141 V C 2.353 178.420 176.094 -0.045 0.000 1.049 3141 V CA 1.838 64.111 62.300 -0.046 0.000 1.024 3141 V CB -0.511 31.282 31.823 -0.049 0.000 0.648 3141 V HN 0.469 nan 8.190 nan 0.000 0.447 3142 E N 0.382 120.549 120.200 -0.055 0.000 2.106 3142 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 3142 E C 2.313 178.888 176.600 -0.043 0.000 0.984 3142 E CA 1.221 57.593 56.400 -0.048 0.000 0.806 3142 E CB -0.302 29.366 29.700 -0.053 0.000 0.750 3142 E HN 0.605 nan 8.360 nan 0.000 0.458 3143 A N 1.580 124.373 122.820 -0.045 0.000 1.898 3143 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 3143 A C 2.393 179.951 177.584 -0.043 0.000 1.181 3143 A CA 1.504 53.514 52.037 -0.044 0.000 0.620 3143 A CB -0.480 18.495 19.000 -0.042 0.000 0.819 3143 A HN 0.277 nan 8.150 nan 0.000 0.442 3144 A N -0.386 122.412 122.820 -0.036 0.000 2.015 3144 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 3144 A C 2.090 179.656 177.584 -0.031 0.000 1.163 3144 A CA 1.606 53.626 52.037 -0.029 0.000 0.646 3144 A CB -0.294 18.693 19.000 -0.021 0.000 0.806 3144 A HN 0.540 nan 8.150 nan 0.000 0.448 3145 K N 0.248 120.628 120.400 -0.033 0.000 2.044 3145 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 3145 K C 2.442 179.023 176.600 -0.031 0.000 1.049 3145 K CA 1.438 57.706 56.287 -0.030 0.000 0.945 3145 K CB -0.253 32.230 32.500 -0.028 0.000 0.724 3145 K HN 0.627 nan 8.250 nan 0.000 0.440 3146 S N 1.578 117.257 115.700 -0.036 0.000 2.383 3146 S HA -0.123 4.347 4.470 -0.000 0.000 0.229 3146 S C 1.936 176.508 174.600 -0.047 0.000 1.030 3146 S CA 0.947 59.125 58.200 -0.038 0.000 1.002 3146 S CB -0.337 62.840 63.200 -0.039 0.000 0.829 3146 S HN 0.103 nan 8.310 nan 0.000 0.467 3147 I N 2.071 122.604 120.570 -0.060 0.000 2.928 3147 I HA 0.091 4.261 4.170 -0.000 0.000 0.266 3147 I C 1.946 178.025 176.117 -0.062 0.000 1.234 3147 I CA 1.054 62.299 61.300 -0.091 0.000 1.483 3147 I CB -1.899 36.020 38.000 -0.137 0.000 1.097 3147 I HN 0.599 nan 8.210 nan 0.000 0.455 3148 G N 1.879 110.659 108.800 -0.034 0.000 2.246 3148 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.273 3148 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.273 3148 G C 0.386 175.293 174.900 0.012 0.000 1.055 3148 G CA 0.401 45.493 45.100 -0.013 0.000 0.851 3148 G HN 0.672 nan 8.290 nan 0.000 0.500 3149 A N -0.287 122.547 122.820 0.024 0.000 2.306 3149 A HA 0.863 5.183 4.320 -0.000 0.000 0.330 3149 A C 0.781 178.366 177.584 0.001 0.000 1.146 3149 A CA 0.370 52.448 52.037 0.069 0.000 0.827 3149 A CB 0.725 19.831 19.000 0.177 0.000 1.178 3149 A HN 0.914 nan 8.150 nan 0.000 0.490 3150 T N 2.409 116.951 114.554 -0.020 0.000 2.871 3150 T HA 0.349 4.699 4.350 -0.000 0.000 0.296 3150 T C 0.093 174.700 174.700 -0.156 0.000 0.998 3150 T CA 0.808 62.847 62.100 -0.101 0.000 1.162 3150 T CB -0.215 68.599 68.868 -0.091 0.000 0.947 3150 T HN 0.608 nan 8.240 nan 0.000 0.536 3151 T N 4.100 118.505 114.554 -0.248 0.000 2.881 3151 T HA 0.336 4.686 4.350 -0.000 0.000 0.290 3151 T C -0.761 173.735 174.700 -0.341 0.000 1.000 3151 T CA -0.768 61.202 62.100 -0.217 0.000 0.978 3151 T CB 0.904 69.716 68.868 -0.094 0.000 0.997 3151 T HN 0.552 nan 8.240 nan 0.000 0.443 3152 H N 1.549 120.618 119.070 -0.001 0.000 2.505 3152 H HA 0.517 5.073 4.556 -0.000 0.000 0.338 3152 H C -0.803 174.528 175.328 0.005 0.000 1.057 3152 H CA -0.478 55.573 56.048 0.006 0.000 1.202 3152 H CB 1.735 31.485 29.762 -0.019 0.000 1.466 3152 H HN 0.285 nan 8.280 nan 0.000 0.499 3153 V N 3.058 123.042 119.914 0.117 0.000 2.357 3153 V HA 0.689 4.809 4.120 -0.000 0.000 0.284 3153 V C 0.615 176.751 176.094 0.071 0.000 1.018 3153 V CA -0.296 62.047 62.300 0.071 0.000 0.841 3153 V CB 1.258 33.109 31.823 0.047 0.000 0.991 3153 V HN 1.040 nan 8.190 nan 0.000 0.437 3154 G N 3.206 112.035 108.800 0.049 0.000 2.435 3154 G HA2 0.479 4.439 3.960 -0.000 0.000 0.296 3154 G HA3 0.479 4.439 3.960 -0.000 0.000 0.296 3154 G C -1.381 173.521 174.900 0.004 0.000 1.240 3154 G CA -0.488 44.631 45.100 0.032 0.000 0.872 3154 G HN 0.434 nan 8.290 nan 0.000 0.480 3155 V N 0.706 120.611 119.914 -0.014 0.000 2.607 3155 V HA 0.613 4.733 4.120 -0.000 0.000 0.289 3155 V C 0.265 176.304 176.094 -0.091 0.000 1.053 3155 V CA -0.010 62.261 62.300 -0.049 0.000 0.996 3155 V CB 1.336 33.127 31.823 -0.052 0.000 0.995 3155 V HN 0.735 nan 8.190 nan 0.000 0.476 3156 T N 3.465 117.951 114.554 -0.113 0.000 2.841 3156 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 3156 T C -0.109 174.457 174.700 -0.223 0.000 1.000 3156 T CA -0.290 61.719 62.100 -0.152 0.000 0.977 3156 T CB 1.633 70.446 68.868 -0.091 0.000 0.979 3156 T HN 0.905 nan 8.240 nan 0.000 0.446 3157 A N 2.280 124.904 122.820 -0.327 0.000 2.302 3157 A HA 0.585 4.905 4.320 -0.000 0.000 0.295 3157 A C 0.452 177.964 177.584 -0.120 0.000 1.235 3157 A CA -0.414 51.385 52.037 -0.396 0.000 0.876 3157 A CB 0.267 18.828 19.000 -0.731 0.000 1.133 3157 A HN 0.634 nan 8.150 nan 0.000 0.533 3158 S N 2.468 118.111 115.700 -0.095 0.000 2.434 3158 S HA 0.454 4.924 4.470 -0.000 0.000 0.318 3158 S C 0.143 174.740 174.600 -0.004 0.000 1.062 3158 S CA -0.305 57.880 58.200 -0.026 0.000 1.116 3158 S CB 0.093 63.275 63.200 -0.029 0.000 0.977 3158 S HN 0.898 nan 8.310 nan 0.000 0.480 3159 S N 3.177 118.874 115.700 -0.006 0.000 2.578 3159 S HA 0.341 4.811 4.470 -0.000 0.000 0.283 3159 S C 0.592 175.159 174.600 -0.054 0.000 1.195 3159 S CA -0.591 57.578 58.200 -0.052 0.000 1.050 3159 S CB 1.113 64.204 63.200 -0.181 0.000 1.012 3159 S HN 0.731 nan 8.310 nan 0.000 0.511 3160 D N 1.448 121.822 120.400 -0.044 0.000 2.323 3160 D HA 0.114 4.754 4.640 -0.000 0.000 0.209 3160 D C 0.845 177.127 176.300 -0.031 0.000 0.973 3160 D CA 0.866 54.855 54.000 -0.019 0.000 0.874 3160 D CB 0.220 41.029 40.800 0.015 0.000 0.930 3160 D HN 0.718 nan 8.370 nan 0.000 0.521 3161 T N -3.690 110.811 114.554 -0.089 0.000 2.930 3161 T HA 0.312 4.662 4.350 -0.000 0.000 0.290 3161 T C 0.477 175.118 174.700 -0.098 0.000 1.052 3161 T CA -0.871 61.197 62.100 -0.054 0.000 1.017 3161 T CB 1.299 70.129 68.868 -0.064 0.000 1.137 3161 T HN -0.102 nan 8.240 nan 0.000 0.511 3162 F N -0.478 119.346 119.950 -0.211 0.000 2.530 3162 F HA 0.265 4.792 4.527 0.000 0.000 0.292 3162 F C 0.996 176.464 175.800 -0.553 0.000 1.109 3162 F CA 0.391 58.149 58.000 -0.404 0.000 1.450 3162 F CB 0.056 38.762 39.000 -0.490 0.000 1.114 3162 F HN 0.650 nan 8.300 nan 0.000 0.560 3163 Y N 0.042 120.323 120.300 -0.033 0.000 2.347 3163 Y HA 0.239 4.789 4.550 0.000 0.000 0.274 3163 Y C -0.605 175.130 175.900 -0.275 0.000 1.124 3163 Y CA 0.335 58.359 58.100 -0.126 0.000 1.208 3163 Y CB -1.975 36.495 38.460 0.017 0.000 1.142 3163 Y HN -0.183 nan 8.280 nan 0.000 0.506 3164 P HA -0.158 nan 4.420 nan 0.000 0.212 3164 P C 1.681 178.686 177.300 -0.492 0.000 1.178 3164 P CA 2.513 65.480 63.100 -0.221 0.000 0.915 3164 P CB -0.358 31.271 31.700 -0.118 0.000 0.788 3165 G N -0.741 107.633 108.800 -0.711 0.000 2.499 3165 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.221 3165 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.221 3165 G C 1.214 175.627 174.900 -0.811 0.000 1.109 3165 G CA 0.641 45.018 45.100 -1.204 0.000 0.749 3165 G HN 0.391 nan 8.290 nan 0.000 0.568 3166 Q N -0.677 118.683 119.800 -0.733 0.000 2.188 3166 Q HA 0.214 4.554 4.340 -0.000 0.000 0.212 3166 Q C -0.098 175.589 176.000 -0.521 0.000 0.846 3166 Q CA -0.300 54.871 55.803 -1.052 0.000 0.989 3166 Q CB 0.477 28.473 28.738 -1.236 0.000 1.114 3166 Q HN 0.600 nan 8.270 nan 0.000 0.488 3167 E N 1.685 121.695 120.200 -0.316 0.000 2.222 3167 E HA -0.240 4.110 4.350 -0.000 0.000 0.189 3167 E C -1.079 175.410 176.600 -0.185 0.000 1.415 3167 E CA 0.226 56.513 56.400 -0.189 0.000 0.689 3167 E CB -0.295 29.438 29.700 0.056 0.000 1.107 3167 E HN 0.308 nan 8.360 nan 0.000 0.350 3168 R N 0.908 121.268 120.500 -0.234 0.000 2.393 3168 R HA 0.277 4.617 4.340 -0.000 0.000 0.310 3168 R C 0.037 176.264 176.300 -0.122 0.000 0.968 3168 R CA -0.411 55.656 56.100 -0.055 0.000 0.867 3168 R CB 0.672 31.012 30.300 0.066 0.000 1.124 3168 R HN 0.230 nan 8.270 nan 0.000 0.450 3169 Y N -0.360 119.982 120.300 0.070 0.000 2.442 3169 Y HA 0.095 4.644 4.550 -0.000 0.000 0.250 3169 Y C 0.407 176.332 175.900 0.042 0.000 1.113 3169 Y CA -0.132 57.997 58.100 0.049 0.000 1.273 3169 Y CB 0.597 39.077 38.460 0.032 0.000 1.138 3169 Y HN 0.526 nan 8.280 nan 0.000 0.522 3170 D N 1.312 121.831 120.400 0.198 0.000 2.688 3170 D HA 0.096 4.736 4.640 -0.000 0.000 0.228 3170 D C 0.152 176.496 176.300 0.074 0.000 1.116 3170 D CA 0.188 54.267 54.000 0.132 0.000 1.023 3170 D CB -0.108 40.775 40.800 0.139 0.000 1.100 3170 D HN 0.231 nan 8.370 nan 0.000 0.487 3171 T N -3.282 111.284 114.554 0.020 0.000 2.858 3171 T HA 0.172 4.522 4.350 -0.000 0.000 0.285 3171 T C 1.044 175.736 174.700 -0.013 0.000 1.052 3171 T CA -0.849 61.203 62.100 -0.081 0.000 1.009 3171 T CB 0.516 69.294 68.868 -0.151 0.000 1.241 3171 T HN 0.151 nan 8.240 nan 0.000 0.542 3172 Y N 1.209 121.433 120.300 -0.127 0.000 2.151 3172 Y HA -0.186 4.364 4.550 -0.000 0.000 0.284 3172 Y C 2.713 178.590 175.900 -0.039 0.000 1.166 3172 Y CA 2.540 60.594 58.100 -0.076 0.000 1.163 3172 Y CB -0.179 38.230 38.460 -0.085 0.000 0.974 3172 Y HN 0.757 nan 8.280 nan 0.000 0.511 3173 S N -1.269 114.292 115.700 -0.231 0.000 2.439 3173 S HA 0.180 4.650 4.470 -0.000 0.000 0.224 3173 S C 1.861 176.386 174.600 -0.126 0.000 1.029 3173 S CA 0.678 58.714 58.200 -0.272 0.000 0.946 3173 S CB -0.186 62.942 63.200 -0.120 0.000 0.797 3173 S HN 0.956 nan 8.310 nan 0.000 0.504 3174 G N 2.059 110.834 108.800 -0.041 0.000 2.184 3174 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.264 3174 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.264 3174 G C 0.078 175.072 174.900 0.158 0.000 0.975 3174 G CA 0.438 45.576 45.100 0.063 0.000 0.642 3174 G HN 1.019 nan 8.290 nan 0.000 0.536 3175 R N -0.818 119.724 120.500 0.071 0.000 2.664 3175 R HA 0.772 5.112 4.340 -0.000 0.000 0.286 3175 R C -0.927 175.374 176.300 0.001 0.000 0.967 3175 R CA -0.885 55.278 56.100 0.104 0.000 0.933 3175 R CB 2.224 32.561 30.300 0.061 0.000 1.146 3175 R HN 0.194 nan 8.270 nan 0.000 0.468 3176 V N 3.351 123.269 119.914 0.006 0.000 2.495 3176 V HA 0.229 4.349 4.120 -0.000 0.000 0.298 3176 V C 0.064 176.201 176.094 0.071 0.000 1.031 3176 V CA -1.081 61.175 62.300 -0.072 0.000 0.871 3176 V CB 1.733 33.363 31.823 -0.322 0.000 0.988 3176 V HN 0.689 nan 8.190 nan 0.000 0.432 3177 V N 5.917 125.896 119.914 0.108 0.000 2.694 3177 V HA 0.034 4.154 4.120 -0.000 0.000 0.306 3177 V C 1.917 178.067 176.094 0.094 0.000 1.054 3177 V CA 0.746 63.114 62.300 0.114 0.000 1.161 3177 V CB 0.756 32.668 31.823 0.148 0.000 0.916 3177 V HN 0.975 nan 8.190 nan 0.000 0.490 3178 R N 4.329 124.856 120.500 0.045 0.000 2.190 3178 R HA -0.273 4.067 4.340 -0.000 0.000 0.255 3178 R C 2.249 178.517 176.300 -0.053 0.000 1.143 3178 R CA 2.751 58.856 56.100 0.009 0.000 0.965 3178 R CB -0.397 29.899 30.300 -0.007 0.000 0.889 3178 R HN 0.841 nan 8.270 nan 0.000 0.448 3179 R N -0.619 119.798 120.500 -0.138 0.000 2.133 3179 R HA -0.184 4.156 4.340 -0.000 0.000 0.247 3179 R C 1.305 177.291 176.300 -0.523 0.000 1.151 3179 R CA 2.198 58.074 56.100 -0.374 0.000 0.971 3179 R CB -0.236 29.728 30.300 -0.561 0.000 0.866 3179 R HN 0.359 nan 8.270 nan 0.000 0.447 3180 F N 0.060 120.028 119.950 0.030 0.000 2.678 3180 F HA 0.284 4.811 4.527 -0.000 0.000 0.305 3180 F C 0.449 176.260 175.800 0.019 0.000 1.090 3180 F CA -0.425 57.594 58.000 0.032 0.000 1.272 3180 F CB 0.417 39.437 39.000 0.035 0.000 1.060 3180 F HN -0.224 nan 8.300 nan 0.000 0.576 3181 K N 1.025 121.505 120.400 0.133 0.000 2.382 3181 K HA 0.289 4.609 4.320 -0.000 0.000 0.286 3181 K C 1.091 177.744 176.600 0.088 0.000 1.062 3181 K CA 0.865 57.241 56.287 0.149 0.000 1.000 3181 K CB -0.130 32.438 32.500 0.114 0.000 0.954 3181 K HN 0.412 nan 8.250 nan 0.000 0.470 3182 G N 2.252 111.124 108.800 0.120 0.000 2.176 3182 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.253 3182 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.253 3182 G C 0.796 175.671 174.900 -0.042 0.000 0.979 3182 G CA 0.645 45.769 45.100 0.040 0.000 0.641 3182 G HN 0.712 nan 8.290 nan 0.000 0.530 3183 S N -0.542 115.145 115.700 -0.022 0.000 2.402 3183 S HA 0.003 4.473 4.470 -0.000 0.000 0.229 3183 S C 2.252 176.673 174.600 -0.298 0.000 1.021 3183 S CA 1.719 59.786 58.200 -0.221 0.000 0.974 3183 S CB -0.252 63.003 63.200 0.092 0.000 0.800 3183 S HN 0.744 nan 8.310 nan 0.000 0.484 3184 M N 1.854 121.500 119.600 0.078 0.000 2.132 3184 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 3184 M C 2.374 178.715 176.300 0.070 0.000 1.065 3184 M CA 2.115 57.546 55.300 0.220 0.000 1.122 3184 M CB -0.295 32.483 32.600 0.297 0.000 1.365 3184 M HN 0.560 nan 8.290 nan 0.000 0.411 3185 E N 0.312 120.516 120.200 0.007 0.000 2.085 3185 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 3185 E C 1.564 178.127 176.600 -0.061 0.000 0.994 3185 E CA 1.983 58.376 56.400 -0.012 0.000 0.801 3185 E CB -0.244 29.444 29.700 -0.020 0.000 0.743 3185 E HN 0.681 nan 8.360 nan 0.000 0.453 3186 E N 0.174 120.256 120.200 -0.197 0.000 2.033 3186 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 3186 E C 1.948 178.478 176.600 -0.115 0.000 1.011 3186 E CA 1.859 58.093 56.400 -0.277 0.000 0.815 3186 E CB -0.448 28.888 29.700 -0.607 0.000 0.755 3186 E HN 0.507 nan 8.360 nan 0.000 0.451 3187 W N 1.350 122.658 121.300 0.012 0.000 2.321 3187 W HA -0.242 4.418 4.660 -0.000 0.000 0.306 3187 W C 2.600 179.088 176.519 -0.052 0.000 1.217 3187 W CA 0.520 57.843 57.345 -0.037 0.000 1.257 3187 W CB -0.241 29.156 29.460 -0.105 0.000 1.145 3187 W HN 0.161 nan 8.180 nan 0.000 0.509 3188 Q N 0.217 120.119 119.800 0.170 0.000 2.050 3188 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 3188 Q C 2.497 178.539 176.000 0.070 0.000 0.980 3188 Q CA 1.780 57.638 55.803 0.091 0.000 0.840 3188 Q CB -0.685 28.091 28.738 0.063 0.000 0.898 3188 Q HN 0.325 nan 8.270 nan 0.000 0.424 3189 A N 0.503 123.353 122.820 0.051 0.000 2.070 3189 A HA -0.122 4.197 4.320 -0.000 0.000 0.220 3189 A C 1.894 179.508 177.584 0.049 0.000 1.159 3189 A CA 1.133 53.189 52.037 0.032 0.000 0.656 3189 A CB -0.373 18.632 19.000 0.008 0.000 0.800 3189 A HN 0.309 nan 8.150 nan 0.000 0.453 3190 M N -1.708 117.946 119.600 0.092 0.000 2.595 3190 M HA 0.142 4.622 4.480 -0.000 0.000 0.248 3190 M C 1.402 177.753 176.300 0.084 0.000 1.119 3190 M CA 0.881 56.246 55.300 0.108 0.000 1.079 3190 M CB 0.209 32.929 32.600 0.201 0.000 1.472 3190 M HN 0.634 nan 8.290 nan 0.000 0.501 3191 G N 0.590 109.433 108.800 0.073 0.000 2.159 3191 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.227 3191 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.227 3191 G C 0.046 174.966 174.900 0.034 0.000 0.986 3191 G CA -0.309 44.822 45.100 0.050 0.000 0.651 3191 G HN 0.275 nan 8.290 nan 0.000 0.523 3192 V N 2.251 122.185 119.914 0.032 0.000 2.540 3192 V HA 0.167 4.287 4.120 -0.000 0.000 0.297 3192 V C 1.906 177.953 176.094 -0.079 0.000 1.024 3192 V CA 1.239 63.508 62.300 -0.052 0.000 1.105 3192 V CB 0.929 32.693 31.823 -0.099 0.000 0.938 3192 V HN 0.426 nan 8.190 nan 0.000 0.482 3193 M N 3.219 122.759 119.600 -0.101 0.000 2.236 3193 M HA 0.086 4.566 4.480 -0.000 0.000 0.266 3193 M C 0.822 177.029 176.300 -0.155 0.000 1.070 3193 M CA 1.154 56.384 55.300 -0.116 0.000 1.137 3193 M CB -0.133 32.410 32.600 -0.095 0.000 1.378 3193 M HN 0.955 nan 8.290 nan 0.000 0.426 3194 N N -1.814 116.768 118.700 -0.196 0.000 3.378 3194 N HA 0.191 4.931 4.740 -0.000 0.000 0.294 3194 N C -1.860 173.477 175.510 -0.288 0.000 1.544 3194 N CA -0.677 52.253 53.050 -0.199 0.000 0.872 3194 N CB 1.285 39.717 38.487 -0.092 0.000 1.670 3194 N HN -0.058 nan 8.380 nan 0.000 0.551 3195 Y N -0.574 119.663 120.300 -0.104 0.000 2.485 3195 Y HA 0.555 5.105 4.550 0.000 0.000 0.345 3195 Y C 0.005 175.835 175.900 -0.117 0.000 0.998 3195 Y CA -0.212 57.807 58.100 -0.134 0.000 1.059 3195 Y CB 1.830 40.191 38.460 -0.166 0.000 1.234 3195 Y HN 0.871 nan 8.280 nan 0.000 0.461 3196 E N -0.240 120.011 120.200 0.085 0.000 2.415 3196 E HA 0.510 4.860 4.350 -0.000 0.000 0.271 3196 E C -1.435 175.171 176.600 0.010 0.000 1.094 3196 E CA -0.753 55.663 56.400 0.027 0.000 0.881 3196 E CB 1.139 30.848 29.700 0.014 0.000 1.581 3196 E HN 0.454 nan 8.360 nan 0.000 0.460 3197 M N -0.279 119.326 119.600 0.009 0.000 2.511 3197 M HA 0.355 4.835 4.480 -0.000 0.000 0.387 3197 M C -0.308 175.994 176.300 0.003 0.000 1.112 3197 M CA 0.135 55.436 55.300 0.002 0.000 0.921 3197 M CB 0.759 33.365 32.600 0.010 0.000 1.501 3197 M HN 0.547 nan 8.290 nan 0.000 0.538 3198 E N -0.827 119.374 120.200 0.002 0.000 2.535 3198 E HA 0.071 4.421 4.350 -0.000 0.000 0.216 3198 E C 1.793 178.385 176.600 -0.012 0.000 0.845 3198 E CA 0.652 57.051 56.400 -0.002 0.000 1.306 3198 E CB 0.330 30.033 29.700 0.006 0.000 1.291 3198 E HN 0.311 nan 8.360 nan 0.000 0.635 3199 S N 1.199 116.892 115.700 -0.012 0.000 2.370 3199 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 3199 S C 2.258 176.845 174.600 -0.021 0.000 1.033 3199 S CA 1.160 59.350 58.200 -0.018 0.000 1.011 3199 S CB -0.501 62.690 63.200 -0.016 0.000 0.852 3199 S HN 0.251 nan 8.310 nan 0.000 0.457 3200 A N 1.798 124.609 122.820 -0.015 0.000 1.883 3200 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 3200 A C 2.471 180.054 177.584 -0.002 0.000 1.186 3200 A CA 2.305 54.341 52.037 -0.001 0.000 0.624 3200 A CB -1.713 17.291 19.000 0.006 0.000 0.822 3200 A HN 0.581 nan 8.150 nan 0.000 0.444 3201 T N -0.234 114.313 114.554 -0.013 0.000 2.770 3201 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 3201 T C 1.857 176.479 174.700 -0.131 0.000 1.039 3201 T CA 1.354 63.437 62.100 -0.029 0.000 1.142 3201 T CB -0.390 68.473 68.868 -0.008 0.000 0.868 3201 T HN 0.334 nan 8.240 nan 0.000 0.435 3202 L N 1.181 122.332 121.223 -0.119 0.000 1.955 3202 L HA -0.068 4.272 4.340 -0.000 0.000 0.213 3202 L C 2.111 178.872 176.870 -0.181 0.000 1.072 3202 L CA 1.702 56.436 54.840 -0.177 0.000 0.755 3202 L CB -0.945 41.051 42.059 -0.105 0.000 0.888 3202 L HN 0.094 nan 8.230 nan 0.000 0.432 3203 L N -0.388 120.781 121.223 -0.090 0.000 2.013 3203 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 3203 L C 2.539 179.389 176.870 -0.032 0.000 1.073 3203 L CA 2.418 57.232 54.840 -0.042 0.000 0.753 3203 L CB -1.828 40.233 42.059 0.003 0.000 0.890 3203 L HN 0.405 nan 8.230 nan 0.000 0.432 3204 T N -0.358 114.175 114.554 -0.036 0.000 2.812 3204 T HA -0.184 4.166 4.350 -0.000 0.000 0.264 3204 T C 1.738 176.320 174.700 -0.198 0.000 1.042 3204 T CA 1.583 63.672 62.100 -0.020 0.000 1.140 3204 T CB -0.226 68.668 68.868 0.042 0.000 0.870 3204 T HN 0.499 nan 8.240 nan 0.000 0.445 3205 M N -0.324 119.039 119.600 -0.395 0.000 2.476 3205 M HA 0.113 4.593 4.480 -0.000 0.000 0.262 3205 M C 1.967 177.961 176.300 -0.510 0.000 1.079 3205 M CA 1.109 55.935 55.300 -0.790 0.000 1.104 3205 M CB -0.774 30.883 32.600 -1.571 0.000 1.409 3205 M HN 0.141 nan 8.290 nan 0.000 0.467 3206 C N 0.969 120.068 119.300 -0.336 0.000 2.541 3206 C HA 0.322 4.782 4.460 -0.000 0.000 0.284 3206 C C 3.174 178.111 174.990 -0.087 0.000 1.341 3206 C CA 0.812 59.693 59.018 -0.228 0.000 1.732 3206 C CB -0.634 26.985 27.740 -0.201 0.000 2.126 3206 C HN 0.741 nan 8.230 nan 0.000 0.505 3207 A N 0.937 123.747 122.820 -0.017 0.000 2.070 3207 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 3207 A C 2.040 179.689 177.584 0.107 0.000 1.159 3207 A CA 2.049 54.158 52.037 0.120 0.000 0.656 3207 A CB -0.520 18.652 19.000 0.288 0.000 0.800 3207 A HN 0.708 nan 8.150 nan 0.000 0.453 3208 S N -2.500 113.123 115.700 -0.128 0.000 2.557 3208 S HA 0.277 4.747 4.470 -0.000 0.000 0.223 3208 S C 0.892 175.426 174.600 -0.109 0.000 0.969 3208 S CA 0.256 58.303 58.200 -0.256 0.000 0.927 3208 S CB 0.277 63.096 63.200 -0.635 0.000 0.806 3208 S HN 0.568 nan 8.310 nan 0.000 0.489 3209 Q N 0.251 120.011 119.800 -0.066 0.000 2.073 3209 Q HA 0.354 4.694 4.340 -0.000 0.000 0.215 3209 Q C 0.516 176.518 176.000 0.002 0.000 0.776 3209 Q CA 0.276 56.060 55.803 -0.032 0.000 1.008 3209 Q CB 1.081 29.782 28.738 -0.061 0.000 1.196 3209 Q HN 0.683 nan 8.270 nan 0.000 0.458 3210 G N 1.507 110.319 108.800 0.021 0.000 2.256 3210 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.272 3210 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.272 3210 G C -0.505 174.431 174.900 0.060 0.000 1.076 3210 G CA 0.125 45.252 45.100 0.046 0.000 0.882 3210 G HN 0.220 nan 8.290 nan 0.000 0.497 3211 L N -0.319 120.938 121.223 0.056 0.000 2.381 3211 L HA 0.565 4.905 4.340 -0.000 0.000 0.274 3211 L C 0.826 177.770 176.870 0.123 0.000 0.988 3211 L CA -1.096 53.814 54.840 0.117 0.000 0.824 3211 L CB 1.688 43.811 42.059 0.107 0.000 1.263 3211 L HN 0.115 nan 8.230 nan 0.000 0.410 3212 R N 2.323 122.918 120.500 0.158 0.000 2.442 3212 R HA 0.671 5.011 4.340 -0.000 0.000 0.291 3212 R C -0.364 176.043 176.300 0.179 0.000 1.069 3212 R CA -0.215 55.965 56.100 0.133 0.000 1.022 3212 R CB 0.979 31.339 30.300 0.099 0.000 0.976 3212 R HN 0.700 nan 8.270 nan 0.000 0.443 3213 A N 1.624 124.514 122.820 0.118 0.000 2.455 3213 A HA 0.741 5.061 4.320 -0.000 0.000 0.300 3213 A C -0.658 176.968 177.584 0.070 0.000 1.040 3213 A CA -0.553 51.552 52.037 0.113 0.000 0.697 3213 A CB 2.181 21.210 19.000 0.048 0.000 1.265 3213 A HN 0.758 nan 8.150 nan 0.000 0.407 3214 G N 0.580 109.419 108.800 0.065 0.000 2.658 3214 G HA2 0.667 4.627 3.960 -0.000 0.000 0.292 3214 G HA3 0.667 4.627 3.960 -0.000 0.000 0.292 3214 G C -1.150 173.769 174.900 0.033 0.000 1.320 3214 G CA -0.504 44.617 45.100 0.036 0.000 0.933 3214 G HN 0.625 nan 8.290 nan 0.000 0.476 3215 M N 1.594 121.205 119.600 0.019 0.000 2.238 3215 M HA 0.449 4.929 4.480 -0.000 0.000 0.278 3215 M C -1.706 174.600 176.300 0.011 0.000 1.040 3215 M CA -0.614 54.696 55.300 0.017 0.000 0.969 3215 M CB 1.492 34.099 32.600 0.011 0.000 1.694 3215 M HN 0.503 nan 8.290 nan 0.000 0.472 3216 V N 3.719 123.640 119.914 0.012 0.000 2.914 3216 V HA 1.040 5.160 4.120 -0.000 0.000 0.314 3216 V C -1.356 174.746 176.094 0.013 0.000 1.084 3216 V CA -0.174 62.132 62.300 0.010 0.000 0.963 3216 V CB 2.021 33.848 31.823 0.007 0.000 1.025 3216 V HN 1.016 nan 8.190 nan 0.000 0.432 3217 A N 3.342 126.171 122.820 0.015 0.000 2.604 3217 A HA 0.865 5.185 4.320 -0.000 0.000 0.295 3217 A C -0.404 177.191 177.584 0.018 0.000 1.067 3217 A CA -0.106 51.940 52.037 0.015 0.000 0.683 3217 A CB 1.637 20.643 19.000 0.011 0.000 1.281 3217 A HN 1.626 nan 8.150 nan 0.000 0.407 3218 G N -0.044 108.765 108.800 0.016 0.000 2.371 3218 G HA2 0.550 4.510 3.960 -0.000 0.000 0.326 3218 G HA3 0.550 4.510 3.960 -0.000 0.000 0.326 3218 G C -0.581 174.322 174.900 0.005 0.000 1.127 3218 G CA -0.453 44.655 45.100 0.013 0.000 0.885 3218 G HN 1.035 nan 8.290 nan 0.000 0.477 3219 V N 2.906 122.821 119.914 0.002 0.000 2.439 3219 V HA 0.105 4.225 4.120 -0.000 0.000 0.271 3219 V C 0.975 177.063 176.094 -0.010 0.000 1.040 3219 V CA -0.051 62.246 62.300 -0.005 0.000 1.002 3219 V CB 0.702 32.519 31.823 -0.009 0.000 1.000 3219 V HN 0.758 nan 8.190 nan 0.000 0.477 3220 I N 3.555 124.123 120.570 -0.003 0.000 4.082 3220 I HA 0.581 4.751 4.170 -0.000 0.000 0.337 3220 I C 0.076 176.195 176.117 0.003 0.000 1.352 3220 I CA 0.086 61.385 61.300 -0.002 0.000 1.097 3220 I CB 0.852 38.855 38.000 0.004 0.000 1.048 3220 I HN 0.358 nan 8.210 nan 0.000 0.393 3221 V N 0.885 120.800 119.914 0.003 0.000 3.106 3221 V HA 0.431 4.551 4.120 -0.000 0.000 0.280 3221 V C -1.993 174.100 176.094 -0.000 0.000 1.525 3221 V CA -0.616 61.688 62.300 0.007 0.000 0.999 3221 V CB 2.316 34.150 31.823 0.020 0.000 1.186 3221 V HN 0.392 nan 8.190 nan 0.000 0.448 3222 N N 4.641 123.341 118.700 0.001 0.000 2.399 3222 N HA 0.428 5.168 4.740 -0.000 0.000 0.284 3222 N C 0.696 176.213 175.510 0.012 0.000 1.025 3222 N CA -0.637 52.411 53.050 -0.003 0.000 0.885 3222 N CB 2.122 40.600 38.487 -0.014 0.000 1.339 3222 N HN 0.625 nan 8.380 nan 0.000 0.487 3223 R N 0.775 121.289 120.500 0.023 0.000 2.105 3223 R HA -0.070 4.270 4.340 -0.000 0.000 0.239 3223 R C 1.259 177.582 176.300 0.038 0.000 1.135 3223 R CA 1.611 57.734 56.100 0.039 0.000 0.967 3223 R CB -1.011 29.329 30.300 0.067 0.000 0.861 3223 R HN 0.709 nan 8.270 nan 0.000 0.442 3224 T N -1.734 112.839 114.554 0.031 0.000 3.380 3224 T HA 0.155 4.505 4.350 -0.000 0.000 0.250 3224 T C 0.531 175.245 174.700 0.023 0.000 1.082 3224 T CA 0.022 62.140 62.100 0.030 0.000 0.968 3224 T CB 0.075 68.960 68.868 0.028 0.000 1.027 3224 T HN 0.142 nan 8.240 nan 0.000 0.575 3237 T N 1.639 116.125 114.554 -0.113 0.000 2.701 3237 T HA -0.166 4.184 4.350 -0.000 0.000 0.263 3237 T C 1.521 176.226 174.700 0.008 0.000 1.040 3237 T CA 1.759 63.806 62.100 -0.088 0.000 1.147 3237 T CB -0.118 68.711 68.868 -0.066 0.000 0.865 3237 T HN 0.251 nan 8.240 nan 0.000 0.426 3238 E N 0.601 120.806 120.200 0.009 0.000 2.110 3238 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 3238 E C 2.387 179.012 176.600 0.042 0.000 0.988 3238 E CA 1.060 57.471 56.400 0.018 0.000 0.804 3238 E CB -0.022 29.679 29.700 0.002 0.000 0.745 3238 E HN 0.318 nan 8.360 nan 0.000 0.458 3239 S N -0.176 115.564 115.700 0.067 0.000 2.353 3239 S HA -0.186 4.284 4.470 -0.000 0.000 0.222 3239 S C 1.696 176.369 174.600 0.121 0.000 1.035 3239 S CA 1.426 59.678 58.200 0.087 0.000 1.025 3239 S CB -0.470 62.801 63.200 0.118 0.000 0.902 3239 S HN 0.412 nan 8.310 nan 0.000 0.440 3240 H N 1.560 120.619 119.070 -0.018 0.000 2.319 3240 H HA 0.011 4.567 4.556 -0.000 0.000 0.297 3240 H C 2.313 177.630 175.328 -0.019 0.000 1.097 3240 H CA 1.378 57.415 56.048 -0.018 0.000 1.285 3240 H CB -0.773 28.979 29.762 -0.017 0.000 1.368 3240 H HN 0.404 nan 8.280 nan 0.000 0.495 3241 A N 0.090 122.979 122.820 0.115 0.000 1.877 3241 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 3241 A C 2.691 180.289 177.584 0.022 0.000 1.186 3241 A CA 1.820 53.888 52.037 0.051 0.000 0.620 3241 A CB -0.868 18.153 19.000 0.036 0.000 0.822 3241 A HN 0.256 nan 8.150 nan 0.000 0.443 3242 V N 0.120 120.044 119.914 0.017 0.000 2.407 3242 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 3242 V C 2.429 178.512 176.094 -0.018 0.000 1.055 3242 V CA 2.380 64.677 62.300 -0.005 0.000 1.049 3242 V CB -0.689 31.126 31.823 -0.013 0.000 0.662 3242 V HN 0.559 nan 8.190 nan 0.000 0.455 3243 K N -0.092 120.294 120.400 -0.023 0.000 2.057 3243 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 3243 K C 2.038 178.610 176.600 -0.047 0.000 1.050 3243 K CA 1.396 57.654 56.287 -0.048 0.000 0.935 3243 K CB -0.264 32.183 32.500 -0.087 0.000 0.715 3243 K HN 0.365 nan 8.250 nan 0.000 0.439 3244 I N 0.508 121.055 120.570 -0.039 0.000 2.226 3244 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 3244 I C 2.319 178.420 176.117 -0.027 0.000 1.100 3244 I CA 0.981 62.261 61.300 -0.034 0.000 1.374 3244 I CB -0.242 37.747 38.000 -0.018 0.000 1.057 3244 I HN -0.009 nan 8.210 nan 0.000 0.413 3245 V N 0.332 120.235 119.914 -0.018 0.000 2.667 3245 V HA -0.158 3.962 4.120 -0.000 0.000 0.252 3245 V C 2.232 178.313 176.094 -0.021 0.000 1.065 3245 V CA 1.367 63.658 62.300 -0.016 0.000 1.083 3245 V CB 0.280 32.098 31.823 -0.007 0.000 0.692 3245 V HN 0.216 nan 8.190 nan 0.000 0.468 3246 V N -0.619 119.280 119.914 -0.025 0.000 2.591 3246 V HA -0.071 4.049 4.120 -0.000 0.000 0.249 3246 V C 2.560 178.636 176.094 -0.030 0.000 1.053 3246 V CA 1.504 63.788 62.300 -0.027 0.000 1.068 3246 V CB -0.401 31.405 31.823 -0.029 0.000 0.689 3246 V HN 0.493 nan 8.190 nan 0.000 0.462 3247 E N 0.567 120.747 120.200 -0.034 0.000 2.072 3247 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 3247 E C 2.389 178.968 176.600 -0.035 0.000 0.982 3247 E CA 1.408 57.786 56.400 -0.036 0.000 0.803 3247 E CB -0.370 29.304 29.700 -0.043 0.000 0.755 3247 E HN 0.507 nan 8.360 nan 0.000 0.453 3248 A N 1.452 124.251 122.820 -0.034 0.000 1.883 3248 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 3248 A C 2.426 179.989 177.584 -0.034 0.000 1.186 3248 A CA 2.361 54.377 52.037 -0.036 0.000 0.624 3248 A CB -0.714 18.266 19.000 -0.033 0.000 0.822 3248 A HN 0.279 nan 8.150 nan 0.000 0.444 3249 A N -0.244 122.559 122.820 -0.030 0.000 1.978 3249 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 3249 A C 2.205 179.771 177.584 -0.030 0.000 1.170 3249 A CA 1.593 53.612 52.037 -0.030 0.000 0.636 3249 A CB -0.506 18.477 19.000 -0.029 0.000 0.810 3249 A HN 0.593 nan 8.150 nan 0.000 0.448 3250 R N -0.720 119.763 120.500 -0.029 0.000 2.105 3250 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 3250 R C 2.365 178.649 176.300 -0.027 0.000 1.135 3250 R CA 1.670 57.754 56.100 -0.026 0.000 0.967 3250 R CB -0.294 29.991 30.300 -0.026 0.000 0.861 3250 R HN 0.524 nan 8.270 nan 0.000 0.442 3251 R N 0.398 120.879 120.500 -0.031 0.000 2.115 3251 R HA -0.007 4.333 4.340 -0.000 0.000 0.226 3251 R C 1.921 178.203 176.300 -0.031 0.000 1.100 3251 R CA 0.882 56.962 56.100 -0.033 0.000 0.980 3251 R CB -0.118 30.157 30.300 -0.042 0.000 0.875 3251 R HN 0.177 nan 8.270 nan 0.000 0.445 3252 L N 0.874 122.078 121.223 -0.033 0.000 2.591 3252 L HA 0.063 4.403 4.340 -0.000 0.000 0.228 3252 L C 0.434 177.288 176.870 -0.026 0.000 1.133 3252 L CA -0.378 54.444 54.840 -0.029 0.000 0.880 3252 L CB -0.062 41.979 42.059 -0.030 0.000 1.033 3252 L HN 0.074 nan 8.230 nan 0.000 0.450 3253 L N 0.000 121.208 121.223 -0.026 0.000 2.949 3253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 3253 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 3253 L CB 0.000 42.045 42.059 -0.022 0.000 0.961 3253 L HN 0.000 nan 8.230 nan 0.000 0.502