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 1fdj_1_C DATA FIRST_RESID 3001 DATA SEQUENCE AHRFPALTPE QKKELSDIAQ RIVANGKGIL AADESVGTMG NRLQRIKVEN DATA SEQUENCE SEENRRQFRE ILFTVDNSIN QSIGGVILFH ETLYQKDSQG KLFRNILKEK DATA SEQUENCE GIVVGIKLDQ GGAPLAGTNK ETTIQGLDGL SERCAQYKKD GVDFGKWRAV DATA SEQUENCE LRIADQCPSS LAIQENANTL ARYASICQQN GLVPIVEPEV IPDGDHDLEH DATA SEQUENCE CQYVTEKVLA AVYKALNDHH VYLEGTLLKP NMVTAGHACT KKYTPEQVAM DATA SEQUENCE ATVTALHRTV PAAVPGICFL SGGMSEEDAT LNLNAINLCP LPKPWKLSFS DATA SEQUENCE YGRALQASAL AAWGGKAENK KATQEAFMKR AVVNCQAAKG QYVHTGSSGA DATA SEQUENCE ASTQSLFTAS YTY 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 3001 A HA 0.000 nan 4.320 nan 0.000 0.244 3001 A C 0.000 177.651 177.584 0.112 0.000 1.274 3001 A CA 0.000 52.163 52.037 0.210 0.000 0.836 3001 A CB 0.000 19.096 19.000 0.160 0.000 0.831 3002 H N 0.687 119.751 119.070 -0.010 0.000 2.466 3002 H HA -0.071 4.485 4.556 0.001 0.000 0.297 3002 H C 1.628 176.859 175.328 -0.162 0.000 1.113 3002 H CA 1.901 57.908 56.048 -0.068 0.000 1.273 3002 H CB -0.279 29.452 29.762 -0.053 0.000 1.371 3002 H HN 0.498 nan 8.280 nan 0.000 0.528 3003 R N -0.156 119.818 120.500 -0.877 0.000 2.280 3003 R HA 0.031 4.372 4.340 0.001 0.000 0.207 3003 R C -0.264 175.467 176.300 -0.948 0.000 1.043 3003 R CA 0.634 56.147 56.100 -0.978 0.000 1.006 3003 R CB 0.140 29.748 30.300 -1.153 0.000 0.885 3003 R HN 0.359 nan 8.270 nan 0.000 0.467 3004 F N 1.898 121.737 119.950 -0.186 0.000 2.389 3004 F HA 0.301 4.829 4.527 0.001 0.000 0.327 3004 F C -1.750 173.955 175.800 -0.159 0.000 1.204 3004 F CA -2.504 55.408 58.000 -0.146 0.000 1.209 3004 F CB 0.526 39.448 39.000 -0.130 0.000 1.460 3004 F HN -0.154 nan 8.300 nan 0.000 0.537 3005 P HA 0.164 nan 4.420 nan 0.000 0.272 3005 P C 0.407 177.685 177.300 -0.037 0.000 1.223 3005 P CA -0.002 63.062 63.100 -0.060 0.000 0.784 3005 P CB 1.711 33.373 31.700 -0.063 0.000 0.923 3006 A N 2.861 125.658 122.820 -0.038 0.000 1.898 3006 A HA 0.103 4.423 4.320 0.001 0.000 0.214 3006 A C 1.225 178.798 177.584 -0.017 0.000 1.183 3006 A CA 0.973 53.008 52.037 -0.004 0.000 0.622 3006 A CB -0.465 18.565 19.000 0.050 0.000 0.824 3006 A HN 0.541 nan 8.150 nan 0.000 0.444 3007 L N -1.462 119.732 121.223 -0.049 0.000 2.257 3007 L HA 0.493 4.833 4.340 0.001 0.000 0.257 3007 L C 0.157 176.971 176.870 -0.094 0.000 1.033 3007 L CA -0.797 53.993 54.840 -0.083 0.000 0.835 3007 L CB 2.127 44.096 42.059 -0.150 0.000 1.398 3007 L HN 0.218 nan 8.230 nan 0.000 0.429 3008 T N -4.041 110.456 114.554 -0.096 0.000 2.952 3008 T HA 0.402 4.752 4.350 0.001 0.000 0.286 3008 T C -2.268 172.366 174.700 -0.110 0.000 1.024 3008 T CA -1.978 60.072 62.100 -0.084 0.000 1.029 3008 T CB 1.860 70.694 68.868 -0.057 0.000 1.094 3008 T HN 0.254 nan 8.240 nan 0.000 0.515 3009 P HA -0.091 nan 4.420 nan 0.000 0.216 3009 P C 1.072 178.324 177.300 -0.080 0.000 1.150 3009 P CA 1.119 64.167 63.100 -0.086 0.000 0.843 3009 P CB 0.072 31.742 31.700 -0.050 0.000 0.787 3010 E N -0.707 119.456 120.200 -0.061 0.000 2.072 3010 E HA -0.167 4.184 4.350 0.001 0.000 0.190 3010 E C 2.169 178.738 176.600 -0.053 0.000 0.982 3010 E CA 1.038 57.412 56.400 -0.044 0.000 0.803 3010 E CB -0.667 29.015 29.700 -0.030 0.000 0.755 3010 E HN 0.361 nan 8.360 nan 0.000 0.453 3011 Q N 0.677 120.433 119.800 -0.073 0.000 2.084 3011 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 3011 Q C 2.019 177.950 176.000 -0.116 0.000 0.978 3011 Q CA 1.299 57.056 55.803 -0.076 0.000 0.844 3011 Q CB -0.082 28.608 28.738 -0.081 0.000 0.898 3011 Q HN 0.167 nan 8.270 nan 0.000 0.426 3012 K N 0.904 121.165 120.400 -0.230 0.000 2.032 3012 K HA -0.204 4.116 4.320 0.001 0.000 0.209 3012 K C 2.109 178.654 176.600 -0.092 0.000 1.048 3012 K CA 1.330 57.367 56.287 -0.417 0.000 0.927 3012 K CB -0.182 31.925 32.500 -0.655 0.000 0.712 3012 K HN 0.076 nan 8.250 nan 0.000 0.441 3013 K N 1.708 122.078 120.400 -0.050 0.000 2.044 3013 K HA -0.267 4.054 4.320 0.001 0.000 0.210 3013 K C 2.139 178.760 176.600 0.035 0.000 1.049 3013 K CA 1.983 58.279 56.287 0.014 0.000 0.927 3013 K CB -0.054 32.445 32.500 -0.002 0.000 0.713 3013 K HN 0.161 nan 8.250 nan 0.000 0.443 3014 E N 0.500 120.710 120.200 0.018 0.000 2.077 3014 E HA -0.200 4.150 4.350 0.001 0.000 0.193 3014 E C 2.142 178.774 176.600 0.054 0.000 0.989 3014 E CA 1.320 57.737 56.400 0.029 0.000 0.800 3014 E CB -0.081 29.630 29.700 0.018 0.000 0.746 3014 E HN 0.380 nan 8.360 nan 0.000 0.452 3015 L N 0.754 122.023 121.223 0.075 0.000 2.046 3015 L HA -0.174 4.167 4.340 0.001 0.000 0.208 3015 L C 2.818 179.765 176.870 0.129 0.000 1.077 3015 L CA 1.490 56.401 54.840 0.118 0.000 0.747 3015 L CB -0.517 41.649 42.059 0.179 0.000 0.896 3015 L HN 0.235 nan 8.230 nan 0.000 0.432 3016 S N -1.363 114.443 115.700 0.176 0.000 2.406 3016 S HA -0.145 4.326 4.470 0.001 0.000 0.228 3016 S C 1.536 176.170 174.600 0.057 0.000 1.020 3016 S CA 0.924 59.195 58.200 0.120 0.000 0.965 3016 S CB -0.359 62.937 63.200 0.160 0.000 0.798 3016 S HN 0.348 nan 8.310 nan 0.000 0.488 3017 D N 2.117 122.550 120.400 0.054 0.000 2.097 3017 D HA 0.010 4.651 4.640 0.001 0.000 0.195 3017 D C 1.954 178.263 176.300 0.016 0.000 0.989 3017 D CA 1.199 55.216 54.000 0.029 0.000 0.827 3017 D CB -0.378 40.439 40.800 0.028 0.000 0.966 3017 D HN 0.440 nan 8.370 nan 0.000 0.456 3018 I N 1.288 121.872 120.570 0.024 0.000 2.179 3018 I HA -0.251 3.920 4.170 0.001 0.000 0.242 3018 I C 2.560 178.658 176.117 -0.030 0.000 1.088 3018 I CA 1.116 62.424 61.300 0.013 0.000 1.357 3018 I CB -0.305 37.723 38.000 0.046 0.000 1.051 3018 I HN -0.088 nan 8.210 nan 0.000 0.409 3019 A N 0.244 123.047 122.820 -0.028 0.000 1.908 3019 A HA -0.263 4.058 4.320 0.001 0.000 0.218 3019 A C 2.277 179.813 177.584 -0.079 0.000 1.181 3019 A CA 1.693 53.686 52.037 -0.073 0.000 0.627 3019 A CB -0.642 18.329 19.000 -0.047 0.000 0.818 3019 A HN 0.503 nan 8.150 nan 0.000 0.445 3020 Q N -1.222 118.551 119.800 -0.044 0.000 2.119 3020 Q HA -0.151 4.189 4.340 0.001 0.000 0.201 3020 Q C 2.347 178.316 176.000 -0.051 0.000 0.972 3020 Q CA 1.366 57.145 55.803 -0.040 0.000 0.847 3020 Q CB -0.180 28.547 28.738 -0.018 0.000 0.903 3020 Q HN 0.729 nan 8.270 nan 0.000 0.433 3021 R N 1.020 121.492 120.500 -0.047 0.000 2.091 3021 R HA -0.150 4.191 4.340 0.001 0.000 0.238 3021 R C 2.064 178.316 176.300 -0.079 0.000 1.136 3021 R CA 1.276 57.347 56.100 -0.048 0.000 0.959 3021 R CB -0.204 30.078 30.300 -0.029 0.000 0.856 3021 R HN 0.213 nan 8.270 nan 0.000 0.437 3022 I N 0.763 121.259 120.570 -0.123 0.000 2.179 3022 I HA -0.219 3.951 4.170 0.001 0.000 0.242 3022 I C 2.002 178.006 176.117 -0.189 0.000 1.088 3022 I CA 1.363 62.551 61.300 -0.187 0.000 1.357 3022 I CB -0.092 37.715 38.000 -0.322 0.000 1.051 3022 I HN 0.178 nan 8.210 nan 0.000 0.409 3023 V N -1.224 118.591 119.914 -0.166 0.000 3.649 3023 V HA 0.396 4.517 4.120 0.001 0.000 0.275 3023 V C 1.148 177.184 176.094 -0.096 0.000 1.281 3023 V CA -0.327 61.881 62.300 -0.153 0.000 1.143 3023 V CB -1.379 30.364 31.823 -0.133 0.000 0.892 3023 V HN 0.202 nan 8.190 nan 0.000 0.441 3024 A N 1.333 124.107 122.820 -0.077 0.000 2.531 3024 A HA 0.296 4.617 4.320 0.001 0.000 0.236 3024 A C 0.955 178.517 177.584 -0.037 0.000 1.062 3024 A CA 0.659 52.668 52.037 -0.046 0.000 0.760 3024 A CB -0.886 18.092 19.000 -0.037 0.000 0.995 3024 A HN 0.897 nan 8.150 nan 0.000 0.501 3025 N N 0.005 118.694 118.700 -0.018 0.000 2.708 3025 N HA -0.193 4.548 4.740 0.001 0.000 0.249 3025 N C 0.805 176.317 175.510 0.002 0.000 1.097 3025 N CA 1.899 54.946 53.050 -0.005 0.000 0.710 3025 N CB -1.328 37.157 38.487 -0.003 0.000 1.032 3025 N HN 2.064 nan 8.380 nan 0.000 0.551 3026 G N -1.442 107.357 108.800 -0.002 0.000 2.162 3026 G HA2 -0.395 3.565 3.960 0.001 0.000 0.260 3026 G HA3 -0.395 3.565 3.960 0.001 0.000 0.260 3026 G C 0.051 174.946 174.900 -0.008 0.000 0.976 3026 G CA 0.588 45.698 45.100 0.017 0.000 0.655 3026 G HN 0.509 nan 8.290 nan 0.000 0.533 3027 K N 0.504 120.863 120.400 -0.068 0.000 2.326 3027 K HA 0.504 4.825 4.320 0.001 0.000 0.275 3027 K C 1.061 177.445 176.600 -0.359 0.000 1.018 3027 K CA 0.334 56.539 56.287 -0.136 0.000 0.962 3027 K CB 1.066 33.501 32.500 -0.109 0.000 0.953 3027 K HN 0.292 nan 8.250 nan 0.000 0.475 3028 G N 1.839 110.227 108.800 -0.686 0.000 3.075 3028 G HA2 0.642 4.602 3.960 0.001 0.000 0.253 3028 G HA3 0.642 4.602 3.960 0.001 0.000 0.253 3028 G C -0.755 173.670 174.900 -0.791 0.000 1.353 3028 G CA -0.830 43.457 45.100 -1.355 0.000 1.051 3028 G HN 0.475 nan 8.290 nan 0.000 0.553 3029 I N 0.066 120.210 120.570 -0.710 0.000 2.474 3029 I HA 0.328 4.498 4.170 0.001 0.000 0.294 3029 I C -1.094 175.044 176.117 0.034 0.000 1.005 3029 I CA -0.745 60.422 61.300 -0.222 0.000 1.113 3029 I CB 2.223 40.131 38.000 -0.154 0.000 1.289 3029 I HN 0.249 nan 8.210 nan 0.000 0.436 3030 L N 6.489 127.804 121.223 0.152 0.000 2.265 3030 L HA 0.649 4.989 4.340 0.001 0.000 0.289 3030 L C -0.030 176.970 176.870 0.216 0.000 1.033 3030 L CA -0.092 54.910 54.840 0.270 0.000 0.814 3030 L CB 1.041 43.299 42.059 0.332 0.000 1.203 3030 L HN 0.659 nan 8.230 nan 0.000 0.423 3031 A N 5.018 127.976 122.820 0.230 0.000 2.506 3031 A HA 0.707 5.028 4.320 0.001 0.000 0.320 3031 A C 0.484 178.169 177.584 0.169 0.000 1.424 3031 A CA 0.099 52.250 52.037 0.191 0.000 1.044 3031 A CB -0.055 19.063 19.000 0.196 0.000 1.140 3031 A HN 1.080 nan 8.150 nan 0.000 0.538 3032 A N 3.130 126.040 122.820 0.150 0.000 3.106 3032 A HA 0.442 4.763 4.320 0.001 0.000 0.306 3032 A C 0.269 177.931 177.584 0.129 0.000 1.192 3032 A CA -0.042 52.077 52.037 0.137 0.000 0.994 3032 A CB -0.171 18.931 19.000 0.170 0.000 1.107 3032 A HN 0.694 nan 8.150 nan 0.000 0.585 3033 D N -0.651 119.813 120.400 0.106 0.000 2.615 3033 D HA 0.149 4.789 4.640 0.001 0.000 0.236 3033 D C -0.345 175.939 176.300 -0.027 0.000 1.233 3033 D CA -0.221 53.843 54.000 0.105 0.000 0.829 3033 D CB -0.097 40.769 40.800 0.109 0.000 1.024 3033 D HN 0.296 nan 8.370 nan 0.000 0.490 3034 E N 0.800 120.959 120.200 -0.069 0.000 2.413 3034 E HA 0.183 4.534 4.350 0.001 0.000 0.263 3034 E C 0.574 176.839 176.600 -0.557 0.000 1.015 3034 E CA -0.069 56.217 56.400 -0.190 0.000 0.916 3034 E CB 0.684 30.332 29.700 -0.087 0.000 0.947 3034 E HN 0.313 nan 8.360 nan 0.000 0.440 3035 S N 1.057 116.365 115.700 -0.654 0.000 2.624 3035 S HA 0.107 4.578 4.470 0.001 0.000 0.263 3035 S C 1.252 175.550 174.600 -0.504 0.000 1.287 3035 S CA -0.855 56.713 58.200 -1.054 0.000 0.990 3035 S CB 1.048 63.912 63.200 -0.561 0.000 0.950 3035 S HN 0.283 nan 8.310 nan 0.000 0.561 3036 V N 1.929 121.671 119.914 -0.285 0.000 2.324 3036 V HA -0.152 3.968 4.120 0.001 0.000 0.250 3036 V C 2.721 178.793 176.094 -0.037 0.000 1.060 3036 V CA 2.484 64.766 62.300 -0.030 0.000 1.042 3036 V CB -1.864 30.021 31.823 0.103 0.000 0.650 3036 V HN 1.063 nan 8.190 nan 0.000 0.450 3037 G N -0.641 108.130 108.800 -0.048 0.000 2.433 3037 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 3037 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 3037 G C 1.693 176.591 174.900 -0.005 0.000 1.186 3037 G CA 1.496 46.588 45.100 -0.014 0.000 0.779 3037 G HN 0.468 nan 8.290 nan 0.000 0.543 3038 T N 1.462 115.994 114.554 -0.037 0.000 2.684 3038 T HA -0.124 4.227 4.350 0.001 0.000 0.267 3038 T C 2.476 177.171 174.700 -0.007 0.000 1.036 3038 T CA 1.307 63.408 62.100 0.002 0.000 1.148 3038 T CB -0.200 68.656 68.868 -0.020 0.000 0.863 3038 T HN -0.008 nan 8.240 nan 0.000 0.436 3039 M N 1.110 120.684 119.600 -0.043 0.000 2.149 3039 M HA -0.024 4.457 4.480 0.001 0.000 0.261 3039 M C 2.677 178.969 176.300 -0.013 0.000 1.064 3039 M CA 1.339 56.624 55.300 -0.025 0.000 1.102 3039 M CB -1.732 30.858 32.600 -0.016 0.000 1.369 3039 M HN 0.408 nan 8.290 nan 0.000 0.408 3040 G N 0.672 109.467 108.800 -0.008 0.000 2.459 3040 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 3040 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 3040 G C 1.416 176.301 174.900 -0.025 0.000 1.183 3040 G CA 0.993 46.086 45.100 -0.012 0.000 0.776 3040 G HN 0.430 nan 8.290 nan 0.000 0.552 3041 N N 0.431 119.131 118.700 -0.000 0.000 2.149 3041 N HA -0.095 4.645 4.740 0.001 0.000 0.188 3041 N C 2.307 177.809 175.510 -0.013 0.000 1.019 3041 N CA 1.025 54.080 53.050 0.009 0.000 0.857 3041 N CB -0.264 38.291 38.487 0.113 0.000 0.997 3041 N HN 0.136 nan 8.380 nan 0.000 0.426 3042 R N 0.921 121.412 120.500 -0.017 0.000 2.057 3042 R HA 0.164 4.504 4.340 0.001 0.000 0.229 3042 R C 2.345 178.606 176.300 -0.064 0.000 1.136 3042 R CA 0.673 56.748 56.100 -0.043 0.000 0.952 3042 R CB -0.752 29.517 30.300 -0.052 0.000 0.848 3042 R HN 0.198 nan 8.270 nan 0.000 0.430 3043 L N 0.194 121.386 121.223 -0.052 0.000 2.083 3043 L HA -0.180 4.160 4.340 0.001 0.000 0.209 3043 L C 2.592 179.428 176.870 -0.056 0.000 1.083 3043 L CA 1.572 56.387 54.840 -0.040 0.000 0.752 3043 L CB -0.460 41.599 42.059 0.001 0.000 0.899 3043 L HN 0.349 nan 8.230 nan 0.000 0.433 3044 Q N -0.082 119.681 119.800 -0.062 0.000 2.124 3044 Q HA -0.202 4.138 4.340 0.001 0.000 0.202 3044 Q C 2.314 178.265 176.000 -0.082 0.000 0.977 3044 Q CA 1.193 56.949 55.803 -0.079 0.000 0.850 3044 Q CB 0.085 28.762 28.738 -0.102 0.000 0.901 3044 Q HN 0.237 nan 8.270 nan 0.000 0.429 3045 R N 0.652 121.106 120.500 -0.076 0.000 2.200 3045 R HA -0.110 4.231 4.340 0.001 0.000 0.234 3045 R C 1.907 178.161 176.300 -0.077 0.000 1.127 3045 R CA 1.239 57.295 56.100 -0.074 0.000 0.989 3045 R CB -0.397 29.864 30.300 -0.064 0.000 0.869 3045 R HN 0.601 nan 8.270 nan 0.000 0.459 3046 I N -2.137 118.383 120.570 -0.082 0.000 3.904 3046 I HA 0.199 4.370 4.170 0.001 0.000 0.333 3046 I C -0.266 175.783 176.117 -0.112 0.000 1.361 3046 I CA -0.218 61.026 61.300 -0.094 0.000 1.116 3046 I CB 0.090 38.032 38.000 -0.097 0.000 1.028 3046 I HN -0.135 nan 8.210 nan 0.000 0.398 3047 K N 0.183 120.524 120.400 -0.099 0.000 3.281 3047 K HA -0.104 4.216 4.320 0.001 0.000 0.295 3047 K C -0.276 176.257 176.600 -0.112 0.000 1.233 3047 K CA 0.461 56.688 56.287 -0.099 0.000 0.866 3047 K CB -1.921 30.522 32.500 -0.096 0.000 1.265 3047 K HN 0.350 nan 8.250 nan 0.000 0.482 3048 V N 1.138 120.983 119.914 -0.115 0.000 2.547 3048 V HA 0.193 4.314 4.120 0.001 0.000 0.299 3048 V C 0.673 176.730 176.094 -0.061 0.000 1.040 3048 V CA -0.652 61.577 62.300 -0.118 0.000 0.913 3048 V CB 1.799 33.525 31.823 -0.161 0.000 0.992 3048 V HN 0.134 nan 8.190 nan 0.000 0.449 3049 E N 2.334 122.508 120.200 -0.044 0.000 2.331 3049 E HA 0.144 4.494 4.350 0.001 0.000 0.272 3049 E C -0.345 176.262 176.600 0.011 0.000 1.036 3049 E CA -0.445 55.943 56.400 -0.020 0.000 0.864 3049 E CB 0.698 30.387 29.700 -0.018 0.000 1.035 3049 E HN 0.613 nan 8.360 nan 0.000 0.408 3050 N N 2.008 120.713 118.700 0.009 0.000 2.508 3050 N HA 0.007 4.748 4.740 0.001 0.000 0.253 3050 N C -1.685 173.850 175.510 0.042 0.000 1.145 3050 N CA -0.044 53.023 53.050 0.029 0.000 0.973 3050 N CB 0.192 38.687 38.487 0.014 0.000 1.305 3050 N HN 0.319 nan 8.380 nan 0.000 0.506 3051 S N 0.931 116.669 115.700 0.062 0.000 2.548 3051 S HA 0.261 4.731 4.470 0.001 0.000 0.286 3051 S C 0.888 175.541 174.600 0.089 0.000 1.098 3051 S CA -0.918 57.322 58.200 0.066 0.000 0.930 3051 S CB 1.805 65.040 63.200 0.057 0.000 1.070 3051 S HN 0.526 nan 8.310 nan 0.000 0.480 3052 E N 0.870 121.123 120.200 0.089 0.000 2.147 3052 E HA -0.267 4.084 4.350 0.001 0.000 0.199 3052 E C 1.423 178.090 176.600 0.113 0.000 1.005 3052 E CA 1.579 58.043 56.400 0.106 0.000 0.810 3052 E CB 0.002 29.760 29.700 0.096 0.000 0.736 3052 E HN 0.722 nan 8.360 nan 0.000 0.460 3053 E N -0.026 120.234 120.200 0.101 0.000 2.158 3053 E HA -0.109 4.242 4.350 0.001 0.000 0.191 3053 E C 1.614 178.300 176.600 0.144 0.000 0.982 3053 E CA 0.545 57.010 56.400 0.109 0.000 0.823 3053 E CB -0.010 29.743 29.700 0.088 0.000 0.766 3053 E HN 0.281 nan 8.360 nan 0.000 0.468 3054 N N 0.566 119.362 118.700 0.160 0.000 2.331 3054 N HA -0.069 4.671 4.740 0.001 0.000 0.180 3054 N C 1.693 177.338 175.510 0.226 0.000 1.019 3054 N CA 0.671 53.869 53.050 0.247 0.000 0.881 3054 N CB -0.057 38.564 38.487 0.223 0.000 0.972 3054 N HN 0.134 nan 8.380 nan 0.000 0.435 3055 R N 0.232 120.823 120.500 0.153 0.000 2.055 3055 R HA 0.116 4.456 4.340 0.001 0.000 0.226 3055 R C 2.136 178.480 176.300 0.073 0.000 1.135 3055 R CA 0.594 56.763 56.100 0.116 0.000 0.959 3055 R CB -0.204 30.172 30.300 0.126 0.000 0.854 3055 R HN 0.125 nan 8.270 nan 0.000 0.431 3056 R N 1.306 121.882 120.500 0.126 0.000 2.127 3056 R HA -0.182 4.159 4.340 0.001 0.000 0.238 3056 R C 2.000 178.371 176.300 0.119 0.000 1.134 3056 R CA 1.656 57.871 56.100 0.190 0.000 0.975 3056 R CB 0.014 30.435 30.300 0.201 0.000 0.865 3056 R HN 0.381 nan 8.270 nan 0.000 0.447 3057 Q N -0.776 119.070 119.800 0.077 0.000 2.020 3057 Q HA -0.173 4.168 4.340 0.001 0.000 0.198 3057 Q C 1.959 177.814 176.000 -0.241 0.000 0.974 3057 Q CA 1.757 57.580 55.803 0.034 0.000 0.829 3057 Q CB -0.234 28.628 28.738 0.207 0.000 0.894 3057 Q HN 0.350 nan 8.270 nan 0.000 0.433 3058 F N 1.469 121.043 119.950 -0.627 0.000 2.126 3058 F HA -0.203 4.324 4.527 0.001 0.000 0.299 3058 F C 2.129 177.437 175.800 -0.819 0.000 1.096 3058 F CA 1.357 58.672 58.000 -1.141 0.000 1.255 3058 F CB 0.141 38.401 39.000 -1.234 0.000 0.997 3058 F HN -0.101 nan 8.300 nan 0.000 0.479 3059 R N 0.058 120.054 120.500 -0.839 0.000 2.189 3059 R HA -0.145 4.195 4.340 0.001 0.000 0.218 3059 R C 2.164 177.512 176.300 -1.587 0.000 1.074 3059 R CA 1.239 56.558 56.100 -1.303 0.000 0.991 3059 R CB -0.412 29.257 30.300 -1.051 0.000 0.883 3059 R HN 0.502 nan 8.270 nan 0.000 0.457 3060 E N 1.419 121.108 120.200 -0.851 0.000 2.046 3060 E HA -0.155 4.196 4.350 0.001 0.000 0.190 3060 E C 1.849 178.181 176.600 -0.446 0.000 0.982 3060 E CA 0.902 57.035 56.400 -0.446 0.000 0.800 3060 E CB 0.035 29.760 29.700 0.041 0.000 0.756 3060 E HN 0.261 nan 8.360 nan 0.000 0.449 3061 I N 1.221 121.478 120.570 -0.521 0.000 2.264 3061 I HA -0.303 3.867 4.170 0.001 0.000 0.248 3061 I C 2.422 178.244 176.117 -0.492 0.000 1.111 3061 I CA 0.956 61.993 61.300 -0.440 0.000 1.382 3061 I CB -0.287 37.398 38.000 -0.524 0.000 1.060 3061 I HN 0.254 nan 8.210 nan 0.000 0.418 3062 L N -0.398 120.331 121.223 -0.824 0.000 2.056 3062 L HA -0.165 4.175 4.340 0.001 0.000 0.207 3062 L C 2.367 179.076 176.870 -0.268 0.000 1.078 3062 L CA 1.152 55.518 54.840 -0.789 0.000 0.749 3062 L CB -0.558 40.799 42.059 -1.170 0.000 0.901 3062 L HN 0.171 nan 8.230 nan 0.000 0.433 3063 F N -0.084 119.606 119.950 -0.435 0.000 2.558 3063 F HA -0.040 4.488 4.527 0.001 0.000 0.298 3063 F C 2.399 178.127 175.800 -0.120 0.000 1.119 3063 F CA 0.826 58.661 58.000 -0.275 0.000 1.451 3063 F CB -1.491 37.271 39.000 -0.397 0.000 1.091 3063 F HN 0.146 nan 8.300 nan 0.000 0.563 3064 T N -1.773 112.812 114.554 0.051 0.000 3.186 3064 T HA 0.337 4.688 4.350 0.001 0.000 0.257 3064 T C 0.622 175.354 174.700 0.053 0.000 1.029 3064 T CA -0.058 62.078 62.100 0.061 0.000 0.916 3064 T CB -1.264 67.631 68.868 0.045 0.000 1.041 3064 T HN -0.039 nan 8.240 nan 0.000 0.562 3065 V N -1.320 118.638 119.914 0.074 0.000 3.503 3065 V HA 0.256 4.376 4.120 0.001 0.000 0.300 3065 V C 0.679 176.825 176.094 0.086 0.000 1.099 3065 V CA -1.152 61.208 62.300 0.100 0.000 1.117 3065 V CB 0.199 32.142 31.823 0.199 0.000 1.122 3065 V HN 0.294 nan 8.190 nan 0.000 0.476 3066 D N 1.124 121.569 120.400 0.075 0.000 2.525 3066 D HA -0.080 4.561 4.640 0.001 0.000 0.235 3066 D C 1.136 177.469 176.300 0.054 0.000 1.137 3066 D CA 0.447 54.480 54.000 0.055 0.000 0.868 3066 D CB 0.522 41.349 40.800 0.045 0.000 1.180 3066 D HN 0.666 nan 8.370 nan 0.000 0.465 3067 N N 1.424 120.150 118.700 0.043 0.000 2.348 3067 N HA -0.171 4.570 4.740 0.001 0.000 0.185 3067 N C 1.618 177.147 175.510 0.032 0.000 1.019 3067 N CA 0.930 54.002 53.050 0.038 0.000 0.880 3067 N CB -0.098 38.407 38.487 0.030 0.000 0.965 3067 N HN 0.453 nan 8.380 nan 0.000 0.437 3068 S N 0.482 116.199 115.700 0.028 0.000 2.500 3068 S HA -0.086 4.385 4.470 0.001 0.000 0.239 3068 S C 1.836 176.446 174.600 0.017 0.000 0.989 3068 S CA 0.176 58.388 58.200 0.020 0.000 0.951 3068 S CB -0.317 62.894 63.200 0.017 0.000 0.759 3068 S HN 0.170 nan 8.310 nan 0.000 0.523 3069 I N 4.331 124.918 120.570 0.027 0.000 2.454 3069 I HA -0.179 3.991 4.170 0.001 0.000 0.254 3069 I C 1.751 177.883 176.117 0.025 0.000 1.156 3069 I CA 1.080 62.395 61.300 0.025 0.000 1.433 3069 I CB -0.803 37.243 38.000 0.077 0.000 1.082 3069 I HN 0.641 nan 8.210 nan 0.000 0.432 3070 N N -0.392 118.322 118.700 0.024 0.000 2.567 3070 N HA -0.144 4.596 4.740 0.001 0.000 0.195 3070 N C 1.217 176.731 175.510 0.007 0.000 1.242 3070 N CA 0.271 53.330 53.050 0.014 0.000 0.884 3070 N CB -0.160 38.334 38.487 0.012 0.000 1.007 3070 N HN 0.543 nan 8.380 nan 0.000 0.450 3071 Q N -0.763 119.043 119.800 0.009 0.000 2.217 3071 Q HA 0.248 4.589 4.340 0.001 0.000 0.217 3071 Q C 0.488 176.498 176.000 0.017 0.000 0.844 3071 Q CA -0.133 55.675 55.803 0.009 0.000 0.957 3071 Q CB 0.995 29.740 28.738 0.011 0.000 1.127 3071 Q HN 0.333 nan 8.270 nan 0.000 0.503 3072 S N -0.522 115.190 115.700 0.021 0.000 2.818 3072 S HA 0.246 4.717 4.470 0.001 0.000 0.251 3072 S C 0.242 174.881 174.600 0.065 0.000 1.083 3072 S CA -0.099 58.136 58.200 0.058 0.000 0.871 3072 S CB 1.187 64.411 63.200 0.040 0.000 0.831 3072 S HN 0.085 nan 8.310 nan 0.000 0.470 3073 I N 2.112 122.700 120.570 0.030 0.000 2.378 3073 I HA 0.421 4.592 4.170 0.001 0.000 0.291 3073 I C 1.121 177.219 176.117 -0.032 0.000 0.992 3073 I CA -0.047 61.258 61.300 0.009 0.000 1.154 3073 I CB 1.036 39.089 38.000 0.088 0.000 1.315 3073 I HN 0.299 nan 8.210 nan 0.000 0.448 3074 G N 4.237 112.982 108.800 -0.092 0.000 2.939 3074 G HA2 0.424 4.385 3.960 0.001 0.000 0.216 3074 G HA3 0.424 4.385 3.960 0.001 0.000 0.216 3074 G C 0.492 175.354 174.900 -0.064 0.000 1.125 3074 G CA 0.127 45.176 45.100 -0.085 0.000 0.766 3074 G HN 0.752 nan 8.290 nan 0.000 0.541 3075 G N -1.045 107.724 108.800 -0.051 0.000 2.698 3075 G HA2 0.500 4.460 3.960 0.001 0.000 0.293 3075 G HA3 0.500 4.460 3.960 0.001 0.000 0.293 3075 G C -2.096 172.879 174.900 0.125 0.000 1.437 3075 G CA -0.399 44.739 45.100 0.063 0.000 0.852 3075 G HN 0.341 nan 8.290 nan 0.000 0.499 3076 V N 1.416 121.443 119.914 0.189 0.000 2.623 3076 V HA 0.454 4.575 4.120 0.001 0.000 0.304 3076 V C -0.319 175.815 176.094 0.066 0.000 1.054 3076 V CA -0.580 61.769 62.300 0.081 0.000 0.882 3076 V CB 1.660 33.399 31.823 -0.141 0.000 1.002 3076 V HN 0.677 nan 8.190 nan 0.000 0.424 3077 I N 5.721 126.354 120.570 0.104 0.000 2.331 3077 I HA 0.478 4.649 4.170 0.001 0.000 0.292 3077 I C -0.419 175.695 176.117 -0.005 0.000 0.998 3077 I CA -0.210 61.091 61.300 0.002 0.000 1.267 3077 I CB 1.084 39.157 38.000 0.121 0.000 1.386 3077 I HN 0.333 nan 8.210 nan 0.000 0.476 3078 L N 5.500 126.679 121.223 -0.074 0.000 2.319 3078 L HA 0.542 4.882 4.340 0.001 0.000 0.267 3078 L C -0.528 176.403 176.870 0.101 0.000 1.011 3078 L CA -0.748 54.105 54.840 0.021 0.000 0.818 3078 L CB 2.173 44.206 42.059 -0.044 0.000 1.316 3078 L HN 0.463 nan 8.230 nan 0.000 0.432 3079 F N -0.443 119.515 119.950 0.012 0.000 2.377 3079 F HA 0.163 4.690 4.527 0.001 0.000 0.328 3079 F C 1.575 177.430 175.800 0.090 0.000 1.094 3079 F CA -0.215 57.816 58.000 0.052 0.000 1.093 3079 F CB 1.115 40.162 39.000 0.078 0.000 1.214 3079 F HN 0.593 nan 8.300 nan 0.000 0.518 3080 H N 2.025 120.765 119.070 -0.551 0.000 2.394 3080 H HA -0.253 4.303 4.556 0.001 0.000 0.297 3080 H C 1.975 177.252 175.328 -0.085 0.000 1.113 3080 H CA 2.679 58.553 56.048 -0.289 0.000 1.277 3080 H CB 0.057 29.641 29.762 -0.297 0.000 1.370 3080 H HN 0.774 nan 8.280 nan 0.000 0.506 3081 E N -1.320 118.764 120.200 -0.193 0.000 2.072 3081 E HA -0.138 4.213 4.350 0.001 0.000 0.191 3081 E C 1.864 178.544 176.600 0.134 0.000 0.985 3081 E CA 1.591 58.020 56.400 0.048 0.000 0.801 3081 E CB -0.317 29.452 29.700 0.116 0.000 0.750 3081 E HN 0.389 nan 8.360 nan 0.000 0.452 3082 T N 1.983 116.637 114.554 0.166 0.000 2.881 3082 T HA -0.068 4.283 4.350 0.001 0.000 0.270 3082 T C 1.697 176.508 174.700 0.185 0.000 1.068 3082 T CA 0.744 63.003 62.100 0.266 0.000 1.131 3082 T CB -0.138 68.906 68.868 0.293 0.000 0.871 3082 T HN 0.138 nan 8.240 nan 0.000 0.479 3083 L N 0.203 121.386 121.223 -0.067 0.000 2.362 3083 L HA -0.011 4.329 4.340 0.001 0.000 0.219 3083 L C 0.634 177.188 176.870 -0.526 0.000 1.134 3083 L CA 1.746 56.380 54.840 -0.343 0.000 0.807 3083 L CB -0.462 41.247 42.059 -0.584 0.000 0.927 3083 L HN 0.374 nan 8.230 nan 0.000 0.447 3084 Y N -0.896 119.374 120.300 -0.049 0.000 2.612 3084 Y HA 0.310 4.860 4.550 0.001 0.000 0.250 3084 Y C 0.924 176.784 175.900 -0.067 0.000 1.175 3084 Y CA -0.576 57.486 58.100 -0.064 0.000 1.205 3084 Y CB 0.283 38.683 38.460 -0.101 0.000 1.201 3084 Y HN 0.206 nan 8.280 nan 0.000 0.532 3085 Q N 1.371 121.190 119.800 0.031 0.000 2.169 3085 Q HA 0.522 4.863 4.340 0.001 0.000 0.234 3085 Q C -0.488 175.156 176.000 -0.593 0.000 0.980 3085 Q CA -0.983 54.719 55.803 -0.169 0.000 0.941 3085 Q CB 1.727 30.445 28.738 -0.034 0.000 1.199 3085 Q HN 0.184 nan 8.270 nan 0.000 0.496 3086 K N -0.320 119.606 120.400 -0.790 0.000 2.512 3086 K HA 0.333 4.654 4.320 0.001 0.000 0.263 3086 K C -1.223 174.924 176.600 -0.754 0.000 0.966 3086 K CA -0.972 54.831 56.287 -0.807 0.000 0.851 3086 K CB 1.408 33.712 32.500 -0.327 0.000 1.395 3086 K HN 0.577 nan 8.250 nan 0.000 0.440 3087 D N 0.828 120.972 120.400 -0.427 0.000 2.414 3087 D HA 0.023 4.663 4.640 0.001 0.000 0.259 3087 D C 0.467 176.740 176.300 -0.046 0.000 1.269 3087 D CA -0.334 53.626 54.000 -0.067 0.000 1.028 3087 D CB 0.641 41.518 40.800 0.129 0.000 1.093 3087 D HN 0.457 nan 8.370 nan 0.000 0.545 3088 S N -0.852 114.859 115.700 0.018 0.000 2.400 3088 S HA -0.201 4.270 4.470 0.001 0.000 0.232 3088 S C 1.658 176.260 174.600 0.003 0.000 1.025 3088 S CA 1.224 59.433 58.200 0.015 0.000 0.993 3088 S CB -0.307 62.914 63.200 0.035 0.000 0.808 3088 S HN 0.507 nan 8.310 nan 0.000 0.478 3089 Q N -0.077 119.727 119.800 0.006 0.000 2.482 3089 Q HA 0.188 4.528 4.340 0.001 0.000 0.209 3089 Q C 1.109 177.102 176.000 -0.013 0.000 0.961 3089 Q CA 0.281 56.086 55.803 0.003 0.000 0.945 3089 Q CB 0.023 28.770 28.738 0.014 0.000 1.012 3089 Q HN 0.622 nan 8.270 nan 0.000 0.515 3090 G N 2.053 110.832 108.800 -0.035 0.000 2.198 3090 G HA2 -0.310 3.650 3.960 0.001 0.000 0.257 3090 G HA3 -0.310 3.650 3.960 0.001 0.000 0.257 3090 G C -0.202 174.663 174.900 -0.058 0.000 1.042 3090 G CA 0.328 45.397 45.100 -0.052 0.000 0.791 3090 G HN 0.239 nan 8.290 nan 0.000 0.502 3091 K N 0.152 120.513 120.400 -0.065 0.000 2.244 3091 K HA 0.638 4.959 4.320 0.001 0.000 0.260 3091 K C 0.947 177.491 176.600 -0.094 0.000 0.951 3091 K CA -1.111 55.148 56.287 -0.047 0.000 0.826 3091 K CB 0.612 33.111 32.500 -0.001 0.000 1.108 3091 K HN 0.155 nan 8.250 nan 0.000 0.433 3092 L N 5.666 126.844 121.223 -0.076 0.000 2.559 3092 L HA -0.053 4.288 4.340 0.001 0.000 0.274 3092 L C 1.051 177.935 176.870 0.023 0.000 1.205 3092 L CA -0.253 54.535 54.840 -0.087 0.000 0.907 3092 L CB -0.042 41.992 42.059 -0.041 0.000 1.153 3092 L HN 0.774 nan 8.230 nan 0.000 0.490 3093 F N 2.655 122.624 119.950 0.032 0.000 2.115 3093 F HA -0.251 4.276 4.527 0.001 0.000 0.300 3093 F C 2.496 178.262 175.800 -0.058 0.000 1.092 3093 F CA 1.818 59.858 58.000 0.066 0.000 1.245 3093 F CB -0.615 38.500 39.000 0.193 0.000 0.995 3093 F HN 0.566 nan 8.300 nan 0.000 0.481 3094 R N -0.054 120.507 120.500 0.102 0.000 2.193 3094 R HA -0.130 4.211 4.340 0.001 0.000 0.229 3094 R C 1.395 177.678 176.300 -0.028 0.000 1.110 3094 R CA 1.693 57.771 56.100 -0.036 0.000 0.988 3094 R CB -0.681 29.562 30.300 -0.095 0.000 0.871 3094 R HN 0.210 nan 8.270 nan 0.000 0.458 3095 N N 0.742 119.446 118.700 0.006 0.000 2.415 3095 N HA 0.097 4.837 4.740 0.001 0.000 0.176 3095 N C 1.735 177.256 175.510 0.019 0.000 1.042 3095 N CA 0.622 53.675 53.050 0.005 0.000 0.902 3095 N CB 0.087 38.577 38.487 0.006 0.000 0.986 3095 N HN 0.247 nan 8.380 nan 0.000 0.447 3096 I N 0.741 121.341 120.570 0.049 0.000 2.163 3096 I HA -0.188 3.982 4.170 0.001 0.000 0.240 3096 I C 1.923 178.050 176.117 0.017 0.000 1.081 3096 I CA 0.820 62.158 61.300 0.063 0.000 1.353 3096 I CB -0.129 37.958 38.000 0.145 0.000 1.054 3096 I HN 0.031 nan 8.210 nan 0.000 0.407 3097 L N 0.642 121.845 121.223 -0.034 0.000 2.012 3097 L HA -0.261 4.080 4.340 0.001 0.000 0.210 3097 L C 2.652 179.492 176.870 -0.051 0.000 1.073 3097 L CA 1.535 56.320 54.840 -0.093 0.000 0.748 3097 L CB -0.670 41.258 42.059 -0.218 0.000 0.891 3097 L HN 0.239 nan 8.230 nan 0.000 0.431 3098 K N 0.139 120.515 120.400 -0.040 0.000 2.063 3098 K HA -0.254 4.066 4.320 0.001 0.000 0.208 3098 K C 2.162 178.758 176.600 -0.008 0.000 1.048 3098 K CA 1.519 57.793 56.287 -0.022 0.000 0.928 3098 K CB -0.084 32.405 32.500 -0.018 0.000 0.713 3098 K HN 0.193 nan 8.250 nan 0.000 0.442 3099 E N 1.201 121.401 120.200 -0.001 0.000 2.153 3099 E HA -0.184 4.166 4.350 0.001 0.000 0.194 3099 E C 1.116 177.720 176.600 0.008 0.000 0.988 3099 E CA 1.302 57.706 56.400 0.007 0.000 0.811 3099 E CB 0.146 29.854 29.700 0.014 0.000 0.746 3099 E HN 0.344 nan 8.360 nan 0.000 0.466 3100 K N -0.869 119.534 120.400 0.006 0.000 2.487 3100 K HA 0.082 4.403 4.320 0.001 0.000 0.192 3100 K C 0.946 177.548 176.600 0.004 0.000 1.027 3100 K CA 0.500 56.792 56.287 0.009 0.000 1.054 3100 K CB 0.297 32.805 32.500 0.014 0.000 0.824 3100 K HN 0.225 nan 8.250 nan 0.000 0.510 3101 G N 2.120 110.919 108.800 -0.001 0.000 2.160 3101 G HA2 -0.249 3.711 3.960 0.001 0.000 0.244 3101 G HA3 -0.249 3.711 3.960 0.001 0.000 0.244 3101 G C -0.050 174.847 174.900 -0.005 0.000 1.022 3101 G CA -0.250 44.849 45.100 -0.002 0.000 0.741 3101 G HN 0.264 nan 8.290 nan 0.000 0.508 3102 I N 0.839 121.401 120.570 -0.012 0.000 2.321 3102 I HA 0.345 4.516 4.170 0.001 0.000 0.291 3102 I C 0.822 176.936 176.117 -0.005 0.000 0.998 3102 I CA -1.169 60.123 61.300 -0.014 0.000 1.227 3102 I CB 1.690 39.670 38.000 -0.034 0.000 1.368 3102 I HN -0.109 nan 8.210 nan 0.000 0.466 3103 V N 6.904 126.841 119.914 0.038 0.000 2.614 3103 V HA 0.139 4.260 4.120 0.001 0.000 0.291 3103 V C 0.360 176.547 176.094 0.154 0.000 1.049 3103 V CA -0.592 61.771 62.300 0.105 0.000 1.038 3103 V CB 1.206 33.128 31.823 0.165 0.000 0.980 3103 V HN 0.559 nan 8.190 nan 0.000 0.481 3104 V N 2.416 122.344 119.914 0.024 0.000 2.532 3104 V HA 1.035 5.156 4.120 0.001 0.000 0.295 3104 V C 0.352 176.150 176.094 -0.494 0.000 1.041 3104 V CA 0.036 62.242 62.300 -0.157 0.000 0.926 3104 V CB 1.200 32.899 31.823 -0.207 0.000 0.992 3104 V HN 0.968 nan 8.190 nan 0.000 0.457 3105 G N 2.887 111.133 108.800 -0.924 0.000 2.630 3105 G HA2 0.761 4.722 3.960 0.001 0.000 0.296 3105 G HA3 0.761 4.722 3.960 0.001 0.000 0.296 3105 G C -1.654 172.788 174.900 -0.764 0.000 1.285 3105 G CA -0.818 43.295 45.100 -1.646 0.000 0.958 3105 G HN 0.979 nan 8.290 nan 0.000 0.479 3106 I N -0.417 119.789 120.570 -0.607 0.000 2.647 3106 I HA 0.471 4.642 4.170 0.001 0.000 0.295 3106 I C -0.046 175.943 176.117 -0.214 0.000 1.078 3106 I CA -1.150 59.900 61.300 -0.417 0.000 1.048 3106 I CB 2.185 39.763 38.000 -0.702 0.000 1.239 3106 I HN 0.481 nan 8.210 nan 0.000 0.421 3107 K N 6.495 126.840 120.400 -0.090 0.000 2.368 3107 K HA 0.307 4.628 4.320 0.001 0.000 0.282 3107 K C -0.461 176.140 176.600 0.002 0.000 1.035 3107 K CA 0.093 56.381 56.287 0.001 0.000 0.973 3107 K CB 0.563 33.112 32.500 0.081 0.000 0.957 3107 K HN 0.796 nan 8.250 nan 0.000 0.474 3108 L N 2.740 123.977 121.223 0.023 0.000 2.781 3108 L HA 0.091 4.432 4.340 0.001 0.000 0.245 3108 L C 0.362 177.157 176.870 -0.125 0.000 1.118 3108 L CA -0.384 54.514 54.840 0.097 0.000 0.918 3108 L CB 0.275 42.535 42.059 0.336 0.000 1.246 3108 L HN 0.759 nan 8.230 nan 0.000 0.526 3109 D N 0.813 120.922 120.400 -0.485 0.000 2.351 3109 D HA -0.022 4.619 4.640 0.001 0.000 0.251 3109 D C -0.215 175.755 176.300 -0.550 0.000 1.137 3109 D CA -0.224 53.124 54.000 -1.087 0.000 0.879 3109 D CB 1.419 41.264 40.800 -1.592 0.000 1.181 3109 D HN 0.194 nan 8.370 nan 0.000 0.448 3110 Q N 1.707 121.218 119.800 -0.481 0.000 2.399 3110 Q HA 0.343 4.683 4.340 0.001 0.000 0.307 3110 Q C 0.675 176.547 176.000 -0.213 0.000 0.933 3110 Q CA -0.400 55.262 55.803 -0.234 0.000 0.995 3110 Q CB 0.359 29.020 28.738 -0.129 0.000 1.191 3110 Q HN 0.801 nan 8.270 nan 0.000 0.426 3111 G N -0.060 108.574 108.800 -0.277 0.000 2.860 3111 G HA2 -0.191 3.770 3.960 0.001 0.000 0.553 3111 G HA3 -0.191 3.770 3.960 0.001 0.000 0.553 3111 G C 0.064 174.856 174.900 -0.179 0.000 1.439 3111 G CA -0.769 44.201 45.100 -0.216 0.000 0.879 3111 G HN 0.454 nan 8.290 nan 0.000 0.545 3112 G N -0.818 107.899 108.800 -0.138 0.000 2.562 3112 G HA2 0.875 4.836 3.960 0.001 0.000 0.275 3112 G HA3 0.875 4.836 3.960 0.001 0.000 0.275 3112 G C 0.198 175.066 174.900 -0.054 0.000 1.196 3112 G CA 0.554 45.603 45.100 -0.084 0.000 0.908 3112 G HN 2.218 nan 8.290 nan 0.000 0.524 3113 A N 1.205 124.011 122.820 -0.025 0.000 2.455 3113 A HA 0.822 5.143 4.320 0.001 0.000 0.300 3113 A C -2.801 174.782 177.584 -0.001 0.000 1.040 3113 A CA -1.331 50.699 52.037 -0.011 0.000 0.697 3113 A CB 2.217 21.218 19.000 0.002 0.000 1.265 3113 A HN 0.555 nan 8.150 nan 0.000 0.407 3114 P HA 0.356 nan 4.420 nan 0.000 0.275 3114 P C -0.900 176.406 177.300 0.010 0.000 1.227 3114 P CA 0.005 63.108 63.100 0.004 0.000 0.781 3114 P CB 0.836 32.537 31.700 0.002 0.000 0.906 3115 L N 2.566 123.797 121.223 0.013 0.000 2.264 3115 L HA 0.454 4.794 4.340 0.001 0.000 0.289 3115 L C 0.949 177.827 176.870 0.014 0.000 1.044 3115 L CA -0.850 53.999 54.840 0.016 0.000 0.807 3115 L CB 1.077 43.147 42.059 0.019 0.000 1.192 3115 L HN 0.393 nan 8.230 nan 0.000 0.425 3116 A N 2.545 125.373 122.820 0.013 0.000 2.440 3116 A HA 0.532 4.852 4.320 0.001 0.000 0.251 3116 A C 1.106 178.698 177.584 0.013 0.000 1.089 3116 A CA 0.546 52.590 52.037 0.012 0.000 0.779 3116 A CB 0.242 19.249 19.000 0.011 0.000 1.022 3116 A HN 1.090 nan 8.150 nan 0.000 0.492 3117 G N 1.377 110.185 108.800 0.012 0.000 2.131 3117 G HA2 -0.029 3.932 3.960 0.001 0.000 0.223 3117 G HA3 -0.029 3.932 3.960 0.001 0.000 0.223 3117 G C 0.327 175.235 174.900 0.014 0.000 0.990 3117 G CA 0.902 46.009 45.100 0.013 0.000 0.671 3117 G HN 2.247 nan 8.290 nan 0.000 0.521 3118 T N -2.752 111.811 114.554 0.015 0.000 2.888 3118 T HA 0.640 4.991 4.350 0.001 0.000 0.288 3118 T C -0.308 174.401 174.700 0.016 0.000 1.063 3118 T CA -0.297 61.813 62.100 0.016 0.000 1.010 3118 T CB 2.026 70.904 68.868 0.018 0.000 1.214 3118 T HN 0.310 nan 8.240 nan 0.000 0.533 3119 N N 0.926 119.636 118.700 0.018 0.000 2.719 3119 N HA 0.210 4.950 4.740 0.001 0.000 0.243 3119 N C -0.362 175.158 175.510 0.017 0.000 1.104 3119 N CA -0.286 52.774 53.050 0.017 0.000 0.981 3119 N CB -0.818 37.681 38.487 0.020 0.000 1.290 3119 N HN 0.777 nan 8.380 nan 0.000 0.513 3120 K N 0.270 120.679 120.400 0.015 0.000 3.016 3120 K HA -0.240 4.081 4.320 0.001 0.000 0.262 3120 K C -0.609 176.000 176.600 0.016 0.000 1.043 3120 K CA 0.845 57.141 56.287 0.014 0.000 0.761 3120 K CB -1.087 31.423 32.500 0.016 0.000 1.230 3120 K HN 0.672 nan 8.250 nan 0.000 0.485 3121 E N 0.474 120.683 120.200 0.016 0.000 2.283 3121 E HA 0.364 4.714 4.350 0.001 0.000 0.267 3121 E C 0.541 177.150 176.600 0.015 0.000 1.045 3121 E CA -0.214 56.196 56.400 0.017 0.000 0.884 3121 E CB 1.321 31.032 29.700 0.019 0.000 1.106 3121 E HN 0.324 nan 8.360 nan 0.000 0.408 3122 T N -1.896 112.668 114.554 0.017 0.000 2.865 3122 T HA 0.534 4.884 4.350 0.001 0.000 0.294 3122 T C -0.283 174.433 174.700 0.026 0.000 1.119 3122 T CA -0.812 61.297 62.100 0.015 0.000 1.007 3122 T CB 1.931 70.800 68.868 0.003 0.000 1.225 3122 T HN 0.367 nan 8.240 nan 0.000 0.515 3123 T N -0.086 114.486 114.554 0.031 0.000 2.888 3123 T HA 0.708 5.059 4.350 0.001 0.000 0.288 3123 T C -1.343 173.393 174.700 0.061 0.000 1.063 3123 T CA -0.932 61.202 62.100 0.057 0.000 1.010 3123 T CB 0.951 69.854 68.868 0.059 0.000 1.214 3123 T HN 0.610 nan 8.240 nan 0.000 0.533 3124 I N 2.420 123.067 120.570 0.128 0.000 2.530 3124 I HA 0.424 4.594 4.170 0.001 0.000 0.297 3124 I C 0.224 176.442 176.117 0.167 0.000 1.011 3124 I CA -0.756 60.601 61.300 0.095 0.000 1.107 3124 I CB 1.817 39.868 38.000 0.086 0.000 1.285 3124 I HN 0.753 nan 8.210 nan 0.000 0.436 3125 Q N 2.223 122.020 119.800 -0.004 0.000 2.193 3125 Q HA 0.675 5.016 4.340 0.001 0.000 0.246 3125 Q C 0.597 176.576 176.000 -0.035 0.000 0.959 3125 Q CA -0.378 55.450 55.803 0.042 0.000 0.904 3125 Q CB 2.041 30.772 28.738 -0.012 0.000 1.238 3125 Q HN 0.994 nan 8.270 nan 0.000 0.469 3126 G N -0.303 108.589 108.800 0.154 0.000 2.672 3126 G HA2 -0.178 3.782 3.960 0.001 0.000 0.197 3126 G HA3 -0.178 3.782 3.960 0.001 0.000 0.197 3126 G C 0.608 175.734 174.900 0.377 0.000 0.995 3126 G CA -0.303 44.913 45.100 0.193 0.000 0.754 3126 G HN 0.496 nan 8.290 nan 0.000 0.505 3127 L N 1.116 122.567 121.223 0.379 0.000 2.083 3127 L HA 0.116 4.457 4.340 0.001 0.000 0.209 3127 L C 0.551 177.512 176.870 0.152 0.000 1.083 3127 L CA 0.845 55.827 54.840 0.237 0.000 0.752 3127 L CB -0.440 41.711 42.059 0.154 0.000 0.899 3127 L HN 0.102 nan 8.230 nan 0.000 0.433 3128 D N 1.032 121.505 120.400 0.121 0.000 2.434 3128 D HA 0.189 4.829 4.640 0.001 0.000 0.252 3128 D C 1.251 177.594 176.300 0.072 0.000 1.185 3128 D CA 1.165 55.212 54.000 0.078 0.000 0.886 3128 D CB 0.941 41.775 40.800 0.057 0.000 1.148 3128 D HN 0.324 nan 8.370 nan 0.000 0.483 3129 G N 2.408 111.243 108.800 0.058 0.000 2.168 3129 G HA2 -0.346 3.614 3.960 0.001 0.000 0.263 3129 G HA3 -0.346 3.614 3.960 0.001 0.000 0.263 3129 G C 1.081 176.021 174.900 0.066 0.000 0.977 3129 G CA 0.348 45.475 45.100 0.045 0.000 0.659 3129 G HN 0.553 nan 8.290 nan 0.000 0.533 3130 L N 0.454 121.743 121.223 0.110 0.000 2.079 3130 L HA -0.118 4.223 4.340 0.001 0.000 0.210 3130 L C 2.893 179.841 176.870 0.130 0.000 1.081 3130 L CA 2.441 57.378 54.840 0.161 0.000 0.752 3130 L CB -0.516 41.678 42.059 0.225 0.000 0.896 3130 L HN 0.468 nan 8.230 nan 0.000 0.433 3131 S N -0.399 115.355 115.700 0.090 0.000 2.370 3131 S HA -0.234 4.237 4.470 0.001 0.000 0.226 3131 S C 1.665 176.296 174.600 0.053 0.000 1.033 3131 S CA 1.854 60.094 58.200 0.067 0.000 1.011 3131 S CB -0.026 63.201 63.200 0.046 0.000 0.852 3131 S HN 0.477 nan 8.310 nan 0.000 0.457 3132 E N 0.835 121.055 120.200 0.034 0.000 2.072 3132 E HA 0.035 4.386 4.350 0.001 0.000 0.190 3132 E C 2.363 178.949 176.600 -0.024 0.000 0.982 3132 E CA 0.854 57.256 56.400 0.004 0.000 0.803 3132 E CB -0.194 29.500 29.700 -0.010 0.000 0.755 3132 E HN 0.459 nan 8.360 nan 0.000 0.453 3133 R N -0.077 120.410 120.500 -0.023 0.000 2.091 3133 R HA -0.115 4.226 4.340 0.001 0.000 0.238 3133 R C 2.355 178.633 176.300 -0.037 0.000 1.136 3133 R CA 1.448 57.471 56.100 -0.129 0.000 0.959 3133 R CB -0.731 29.567 30.300 -0.004 0.000 0.856 3133 R HN 0.252 nan 8.270 nan 0.000 0.437 3134 C N 0.166 119.564 119.300 0.164 0.000 2.436 3134 C HA -0.073 4.388 4.460 0.001 0.000 0.277 3134 C C 2.997 178.083 174.990 0.159 0.000 1.241 3134 C CA 0.805 59.972 59.018 0.249 0.000 1.721 3134 C CB -1.035 26.815 27.740 0.184 0.000 2.043 3134 C HN 0.614 nan 8.230 nan 0.000 0.472 3135 A N -0.002 122.867 122.820 0.080 0.000 1.908 3135 A HA -0.283 4.038 4.320 0.001 0.000 0.218 3135 A C 2.059 179.669 177.584 0.043 0.000 1.181 3135 A CA 2.400 54.469 52.037 0.053 0.000 0.627 3135 A CB -0.700 18.318 19.000 0.029 0.000 0.818 3135 A HN 0.631 nan 8.150 nan 0.000 0.445 3136 Q N -1.240 118.558 119.800 -0.004 0.000 2.016 3136 Q HA -0.159 4.181 4.340 0.001 0.000 0.200 3136 Q C 1.787 177.818 176.000 0.052 0.000 0.978 3136 Q CA 2.018 57.806 55.803 -0.025 0.000 0.833 3136 Q CB -0.633 28.027 28.738 -0.131 0.000 0.895 3136 Q HN 0.652 nan 8.270 nan 0.000 0.427 3137 Y N 0.685 121.032 120.300 0.078 0.000 2.151 3137 Y HA -0.217 4.333 4.550 0.001 0.000 0.284 3137 Y C 2.241 178.146 175.900 0.009 0.000 1.166 3137 Y CA 1.683 59.810 58.100 0.046 0.000 1.163 3137 Y CB -0.698 37.789 38.460 0.044 0.000 0.974 3137 Y HN 0.152 nan 8.280 nan 0.000 0.511 3138 K N 1.003 121.517 120.400 0.189 0.000 2.044 3138 K HA -0.192 4.128 4.320 0.001 0.000 0.210 3138 K C 1.771 178.414 176.600 0.072 0.000 1.049 3138 K CA 1.842 58.191 56.287 0.103 0.000 0.927 3138 K CB -0.266 32.284 32.500 0.084 0.000 0.713 3138 K HN 0.207 nan 8.250 nan 0.000 0.443 3139 K N 0.037 120.479 120.400 0.070 0.000 2.209 3139 K HA -0.105 4.215 4.320 0.001 0.000 0.204 3139 K C 0.539 177.169 176.600 0.050 0.000 1.048 3139 K CA 1.344 57.662 56.287 0.050 0.000 0.940 3139 K CB -0.059 32.468 32.500 0.044 0.000 0.729 3139 K HN 0.216 nan 8.250 nan 0.000 0.451 3140 D N -0.297 120.144 120.400 0.068 0.000 2.352 3140 D HA 0.081 4.722 4.640 0.001 0.000 0.236 3140 D C 0.785 177.074 176.300 -0.019 0.000 1.148 3140 D CA 0.369 54.391 54.000 0.038 0.000 0.844 3140 D CB 0.472 41.311 40.800 0.065 0.000 0.933 3140 D HN 0.373 nan 8.370 nan 0.000 0.507 3141 G N -0.383 108.416 108.800 -0.003 0.000 2.157 3141 G HA2 -0.275 3.686 3.960 0.001 0.000 0.248 3141 G HA3 -0.275 3.686 3.960 0.001 0.000 0.248 3141 G C 0.365 175.238 174.900 -0.045 0.000 0.979 3141 G CA 0.068 45.153 45.100 -0.025 0.000 0.650 3141 G HN 0.303 nan 8.290 nan 0.000 0.529 3142 V N 1.110 121.000 119.914 -0.040 0.000 2.498 3142 V HA 0.402 4.523 4.120 0.001 0.000 0.279 3142 V C 0.781 176.858 176.094 -0.027 0.000 1.048 3142 V CA 0.282 62.525 62.300 -0.094 0.000 0.967 3142 V CB 1.638 33.377 31.823 -0.139 0.000 0.988 3142 V HN 0.233 nan 8.190 nan 0.000 0.473 3143 D N 2.752 123.143 120.400 -0.015 0.000 2.454 3143 D HA 0.185 4.825 4.640 0.001 0.000 0.214 3143 D C 0.002 176.420 176.300 0.197 0.000 1.088 3143 D CA 0.670 54.729 54.000 0.097 0.000 0.855 3143 D CB 0.890 41.772 40.800 0.137 0.000 1.025 3143 D HN 0.539 nan 8.370 nan 0.000 0.502 3144 F N -0.769 119.180 119.950 -0.002 0.000 2.626 3144 F HA 0.745 5.272 4.527 0.001 0.000 0.311 3144 F C -0.191 175.628 175.800 0.031 0.000 1.088 3144 F CA -1.158 56.850 58.000 0.015 0.000 0.949 3144 F CB 1.334 40.338 39.000 0.007 0.000 1.322 3144 F HN -0.210 nan 8.300 nan 0.000 0.461 3145 G N 0.863 109.819 108.800 0.259 0.000 2.600 3145 G HA2 0.619 4.580 3.960 0.001 0.000 0.303 3145 G HA3 0.619 4.580 3.960 0.001 0.000 0.303 3145 G C -2.254 172.881 174.900 0.391 0.000 1.253 3145 G CA -1.204 44.026 45.100 0.218 0.000 0.974 3145 G HN 0.895 nan 8.290 nan 0.000 0.483 3146 K N -0.434 120.151 120.400 0.307 0.000 2.464 3146 K HA 0.451 4.772 4.320 0.001 0.000 0.253 3146 K C -2.111 174.572 176.600 0.137 0.000 0.933 3146 K CA -0.935 55.513 56.287 0.270 0.000 0.801 3146 K CB 2.559 35.169 32.500 0.182 0.000 1.271 3146 K HN 0.517 nan 8.250 nan 0.000 0.430 3147 W N 5.976 127.156 121.300 -0.199 0.000 2.802 3147 W HA 0.322 4.982 4.660 0.001 0.000 0.331 3147 W C -1.590 174.805 176.519 -0.206 0.000 1.021 3147 W CA -0.572 56.515 57.345 -0.429 0.000 1.259 3147 W CB 1.331 30.064 29.460 -1.212 0.000 1.323 3147 W HN 0.655 nan 8.180 nan 0.000 0.432 3148 R N 4.108 124.546 120.500 -0.103 0.000 2.229 3148 R HA 0.658 4.998 4.340 0.001 0.000 0.328 3148 R C -0.748 175.553 176.300 0.002 0.000 1.009 3148 R CA -0.017 56.077 56.100 -0.010 0.000 0.864 3148 R CB 1.098 31.374 30.300 -0.041 0.000 1.085 3148 R HN 0.410 nan 8.270 nan 0.000 0.453 3149 A N 4.255 127.142 122.820 0.111 0.000 2.330 3149 A HA 0.526 4.846 4.320 0.001 0.000 0.327 3149 A C -0.994 176.628 177.584 0.064 0.000 1.155 3149 A CA -0.673 51.432 52.037 0.115 0.000 0.803 3149 A CB 1.744 20.837 19.000 0.154 0.000 1.208 3149 A HN 0.506 nan 8.150 nan 0.000 0.477 3150 V N 3.613 123.555 119.914 0.047 0.000 2.384 3150 V HA 0.479 4.600 4.120 0.001 0.000 0.287 3150 V C -0.392 175.725 176.094 0.037 0.000 1.020 3150 V CA -0.168 62.159 62.300 0.046 0.000 0.850 3150 V CB 0.970 32.821 31.823 0.047 0.000 0.987 3150 V HN 0.761 nan 8.190 nan 0.000 0.436 3151 L N 6.167 127.408 121.223 0.031 0.000 2.381 3151 L HA 0.760 5.100 4.340 0.001 0.000 0.268 3151 L C -0.039 176.833 176.870 0.004 0.000 0.997 3151 L CA -0.634 54.216 54.840 0.017 0.000 0.818 3151 L CB 2.096 44.161 42.059 0.010 0.000 1.310 3151 L HN 0.736 nan 8.230 nan 0.000 0.416 3152 R N 2.563 123.060 120.500 -0.005 0.000 2.854 3152 R HA 0.741 5.082 4.340 0.001 0.000 0.271 3152 R C -1.328 174.931 176.300 -0.069 0.000 0.994 3152 R CA -0.825 55.261 56.100 -0.023 0.000 0.945 3152 R CB 1.894 32.200 30.300 0.010 0.000 1.194 3152 R HN 0.478 nan 8.270 nan 0.000 0.476 3153 I N 1.954 122.438 120.570 -0.144 0.000 2.307 3153 I HA 0.564 4.734 4.170 0.001 0.000 0.289 3153 I C -0.215 175.843 176.117 -0.099 0.000 1.021 3153 I CA -0.259 60.892 61.300 -0.250 0.000 1.224 3153 I CB 1.397 38.963 38.000 -0.723 0.000 1.376 3153 I HN 0.927 nan 8.210 nan 0.000 0.470 3154 A N 4.955 127.756 122.820 -0.031 0.000 2.506 3154 A HA 0.333 4.654 4.320 0.001 0.000 0.305 3154 A C -1.290 176.319 177.584 0.041 0.000 1.166 3154 A CA -0.679 51.372 52.037 0.024 0.000 0.638 3154 A CB 0.928 19.944 19.000 0.027 0.000 1.336 3154 A HN 0.522 nan 8.150 nan 0.000 0.493 3155 D N 1.294 121.720 120.400 0.044 0.000 2.451 3155 D HA 0.185 4.826 4.640 0.001 0.000 0.254 3155 D C -0.126 176.196 176.300 0.036 0.000 1.204 3155 D CA 1.227 55.252 54.000 0.042 0.000 0.896 3155 D CB 0.317 41.137 40.800 0.034 0.000 1.136 3155 D HN 0.424 nan 8.370 nan 0.000 0.499 3156 Q N 0.633 120.456 119.800 0.039 0.000 2.465 3156 Q HA -0.198 4.143 4.340 0.001 0.000 0.248 3156 Q C -0.691 175.330 176.000 0.035 0.000 0.819 3156 Q CA 0.643 56.467 55.803 0.034 0.000 1.219 3156 Q CB -2.391 26.363 28.738 0.027 0.000 1.472 3156 Q HN 0.502 nan 8.270 nan 0.000 0.630 3157 C N 0.299 119.620 119.300 0.036 0.000 2.547 3157 C HA 0.632 5.093 4.460 0.001 0.000 0.313 3157 C C -2.273 172.734 174.990 0.027 0.000 1.191 3157 C CA -1.441 57.593 59.018 0.027 0.000 1.474 3157 C CB 1.965 29.713 27.740 0.014 0.000 2.081 3157 C HN 0.059 nan 8.230 nan 0.000 0.476 3158 P HA 0.279 nan 4.420 nan 0.000 0.285 3158 P C -0.249 177.075 177.300 0.040 0.000 1.259 3158 P CA 0.084 63.201 63.100 0.028 0.000 0.794 3158 P CB 0.905 32.619 31.700 0.023 0.000 0.940 3159 S N 0.955 116.675 115.700 0.033 0.000 2.632 3159 S HA 0.149 4.619 4.470 0.001 0.000 0.267 3159 S C 1.418 176.037 174.600 0.032 0.000 1.276 3159 S CA 0.097 58.317 58.200 0.033 0.000 0.998 3159 S CB 0.368 63.585 63.200 0.028 0.000 0.953 3159 S HN 0.438 nan 8.310 nan 0.000 0.547 3160 S N 0.819 116.538 115.700 0.031 0.000 2.402 3160 S HA -0.125 4.345 4.470 0.001 0.000 0.229 3160 S C 1.708 176.322 174.600 0.023 0.000 1.021 3160 S CA 0.829 59.045 58.200 0.028 0.000 0.974 3160 S CB -0.891 62.325 63.200 0.027 0.000 0.800 3160 S HN 0.653 nan 8.310 nan 0.000 0.484 3161 L N 2.274 123.511 121.223 0.022 0.000 2.017 3161 L HA 0.074 4.414 4.340 0.001 0.000 0.208 3161 L C 2.711 179.594 176.870 0.021 0.000 1.073 3161 L CA 1.812 56.665 54.840 0.021 0.000 0.745 3161 L CB -1.225 40.847 42.059 0.021 0.000 0.894 3161 L HN 0.336 nan 8.230 nan 0.000 0.432 3162 A N -0.297 122.537 122.820 0.022 0.000 1.883 3162 A HA -0.203 4.117 4.320 0.001 0.000 0.217 3162 A C 2.269 179.866 177.584 0.021 0.000 1.186 3162 A CA 2.234 54.285 52.037 0.023 0.000 0.624 3162 A CB -0.938 18.076 19.000 0.023 0.000 0.822 3162 A HN 0.525 nan 8.150 nan 0.000 0.444 3163 I N -0.606 119.975 120.570 0.018 0.000 2.252 3163 I HA -0.276 3.894 4.170 0.001 0.000 0.245 3163 I C 2.828 178.949 176.117 0.006 0.000 1.102 3163 I CA 1.696 63.004 61.300 0.012 0.000 1.385 3163 I CB -0.350 37.659 38.000 0.015 0.000 1.064 3163 I HN 0.567 nan 8.210 nan 0.000 0.414 3164 Q N 1.039 120.845 119.800 0.010 0.000 2.016 3164 Q HA -0.223 4.117 4.340 0.001 0.000 0.200 3164 Q C 2.058 178.062 176.000 0.006 0.000 0.978 3164 Q CA 1.429 57.238 55.803 0.009 0.000 0.833 3164 Q CB 0.056 28.803 28.738 0.015 0.000 0.895 3164 Q HN 0.403 nan 8.270 nan 0.000 0.427 3165 E N 0.713 120.921 120.200 0.013 0.000 2.077 3165 E HA -0.136 4.215 4.350 0.001 0.000 0.193 3165 E C 1.837 178.443 176.600 0.009 0.000 0.989 3165 E CA 0.834 57.243 56.400 0.016 0.000 0.800 3165 E CB -0.321 29.395 29.700 0.027 0.000 0.746 3165 E HN 0.447 nan 8.360 nan 0.000 0.452 3166 N N 0.685 119.394 118.700 0.016 0.000 2.188 3166 N HA -0.095 4.645 4.740 0.001 0.000 0.184 3166 N C 1.748 177.242 175.510 -0.027 0.000 1.018 3166 N CA 1.217 54.282 53.050 0.024 0.000 0.858 3166 N CB -0.058 38.452 38.487 0.038 0.000 0.989 3166 N HN 0.104 nan 8.380 nan 0.000 0.426 3167 A N 1.353 124.145 122.820 -0.047 0.000 1.929 3167 A HA -0.040 4.281 4.320 0.001 0.000 0.216 3167 A C 2.016 179.508 177.584 -0.153 0.000 1.176 3167 A CA 0.958 52.938 52.037 -0.095 0.000 0.628 3167 A CB -0.305 18.653 19.000 -0.071 0.000 0.816 3167 A HN 0.257 nan 8.150 nan 0.000 0.444 3168 N N -0.603 118.025 118.700 -0.120 0.000 2.331 3168 N HA -0.078 4.662 4.740 0.001 0.000 0.180 3168 N C 1.399 176.742 175.510 -0.280 0.000 1.019 3168 N CA 1.615 54.555 53.050 -0.184 0.000 0.881 3168 N CB -0.123 38.359 38.487 -0.009 0.000 0.972 3168 N HN 0.448 nan 8.380 nan 0.000 0.435 3169 T N 1.492 115.935 114.554 -0.185 0.000 2.896 3169 T HA 0.102 4.452 4.350 0.001 0.000 0.263 3169 T C 2.135 176.574 174.700 -0.434 0.000 1.050 3169 T CA 0.233 62.204 62.100 -0.216 0.000 1.140 3169 T CB 0.097 68.940 68.868 -0.042 0.000 0.877 3169 T HN 0.111 nan 8.240 nan 0.000 0.457 3170 L N 0.663 121.667 121.223 -0.365 0.000 2.093 3170 L HA -0.043 4.298 4.340 0.001 0.000 0.208 3170 L C 2.859 179.558 176.870 -0.285 0.000 1.085 3170 L CA 1.074 55.688 54.840 -0.376 0.000 0.755 3170 L CB -0.425 41.516 42.059 -0.196 0.000 0.904 3170 L HN 0.253 nan 8.230 nan 0.000 0.435 3171 A N -0.385 122.205 122.820 -0.382 0.000 1.930 3171 A HA -0.189 4.131 4.320 0.001 0.000 0.215 3171 A C 2.266 179.559 177.584 -0.485 0.000 1.176 3171 A CA 1.213 52.976 52.037 -0.456 0.000 0.632 3171 A CB -0.336 18.285 19.000 -0.632 0.000 0.819 3171 A HN 0.249 nan 8.150 nan 0.000 0.445 3172 R N -0.538 119.646 120.500 -0.527 0.000 2.070 3172 R HA -0.197 4.144 4.340 0.001 0.000 0.233 3172 R C 2.013 178.183 176.300 -0.217 0.000 1.137 3172 R CA 2.326 58.256 56.100 -0.283 0.000 0.945 3172 R CB -1.209 28.973 30.300 -0.197 0.000 0.845 3172 R HN 0.647 nan 8.270 nan 0.000 0.430 3173 Y N 0.183 120.201 120.300 -0.470 0.000 2.128 3173 Y HA -0.168 4.382 4.550 0.001 0.000 0.284 3173 Y C 1.937 177.693 175.900 -0.240 0.000 1.154 3173 Y CA 1.868 59.692 58.100 -0.461 0.000 1.149 3173 Y CB -0.918 36.930 38.460 -1.020 0.000 0.976 3173 Y HN 0.126 nan 8.280 nan 0.000 0.505 3174 A N -0.157 122.201 122.820 -0.770 0.000 1.902 3174 A HA -0.219 4.101 4.320 0.001 0.000 0.217 3174 A C 2.551 179.927 177.584 -0.347 0.000 1.181 3174 A CA 2.104 53.722 52.037 -0.698 0.000 0.623 3174 A CB -1.552 17.211 19.000 -0.394 0.000 0.818 3174 A HN 0.592 nan 8.150 nan 0.000 0.443 3175 S N -0.408 115.166 115.700 -0.210 0.000 2.370 3175 S HA -0.140 4.331 4.470 0.001 0.000 0.226 3175 S C 1.904 176.462 174.600 -0.070 0.000 1.033 3175 S CA 1.546 59.702 58.200 -0.073 0.000 1.011 3175 S CB -0.547 62.659 63.200 0.009 0.000 0.852 3175 S HN 0.489 nan 8.310 nan 0.000 0.457 3176 I N 0.737 121.249 120.570 -0.097 0.000 2.252 3176 I HA -0.190 3.980 4.170 0.001 0.000 0.245 3176 I C 2.600 178.688 176.117 -0.049 0.000 1.102 3176 I CA 0.840 62.114 61.300 -0.044 0.000 1.385 3176 I CB -0.647 37.351 38.000 -0.003 0.000 1.064 3176 I HN 0.411 nan 8.210 nan 0.000 0.414 3177 C N 0.601 119.817 119.300 -0.139 0.000 2.413 3177 C HA -0.203 4.258 4.460 0.001 0.000 0.276 3177 C C 2.889 177.855 174.990 -0.041 0.000 1.236 3177 C CA 1.067 60.027 59.018 -0.097 0.000 1.735 3177 C CB -1.132 26.461 27.740 -0.245 0.000 2.031 3177 C HN 0.524 nan 8.230 nan 0.000 0.474 3178 Q N -0.394 119.372 119.800 -0.057 0.000 2.170 3178 Q HA -0.236 4.105 4.340 0.001 0.000 0.203 3178 Q C 2.109 178.109 176.000 0.000 0.000 0.976 3178 Q CA 1.245 57.043 55.803 -0.007 0.000 0.858 3178 Q CB -0.298 28.447 28.738 0.012 0.000 0.907 3178 Q HN 0.595 nan 8.270 nan 0.000 0.433 3179 Q N 0.557 120.355 119.800 -0.003 0.000 2.291 3179 Q HA -0.036 4.305 4.340 0.001 0.000 0.205 3179 Q C 0.710 176.718 176.000 0.013 0.000 0.970 3179 Q CA 0.950 56.756 55.803 0.005 0.000 0.876 3179 Q CB 0.263 29.006 28.738 0.009 0.000 0.935 3179 Q HN 0.295 nan 8.270 nan 0.000 0.455 3180 N N -1.437 117.277 118.700 0.022 0.000 2.238 3180 N HA 0.173 4.913 4.740 0.001 0.000 0.222 3180 N C 0.107 175.642 175.510 0.042 0.000 1.133 3180 N CA 0.702 53.774 53.050 0.037 0.000 0.854 3180 N CB 1.276 39.797 38.487 0.057 0.000 1.041 3180 N HN 0.274 nan 8.380 nan 0.000 0.510 3181 G N 0.928 109.748 108.800 0.033 0.000 2.143 3181 G HA2 -0.262 3.699 3.960 0.001 0.000 0.248 3181 G HA3 -0.262 3.699 3.960 0.001 0.000 0.248 3181 G C -0.362 174.573 174.900 0.059 0.000 0.991 3181 G CA 0.034 45.158 45.100 0.040 0.000 0.689 3181 G HN 0.190 nan 8.290 nan 0.000 0.522 3182 L N 0.247 121.507 121.223 0.062 0.000 2.317 3182 L HA 0.636 4.976 4.340 0.001 0.000 0.281 3182 L C 0.640 177.559 176.870 0.082 0.000 1.024 3182 L CA -0.917 53.975 54.840 0.087 0.000 0.810 3182 L CB 2.112 44.227 42.059 0.093 0.000 1.240 3182 L HN -0.054 nan 8.230 nan 0.000 0.427 3183 V N 5.611 125.604 119.914 0.131 0.000 2.405 3183 V HA 0.252 4.373 4.120 0.001 0.000 0.264 3183 V C -1.921 174.246 176.094 0.122 0.000 1.048 3183 V CA -1.252 61.109 62.300 0.102 0.000 0.966 3183 V CB 0.876 32.749 31.823 0.083 0.000 1.015 3183 V HN 0.597 nan 8.190 nan 0.000 0.477 3184 P HA 0.311 nan 4.420 nan 0.000 0.287 3184 P C -0.512 176.857 177.300 0.114 0.000 1.281 3184 P CA -0.212 62.893 63.100 0.008 0.000 0.781 3184 P CB 1.159 32.631 31.700 -0.380 0.000 0.903 3185 I N 4.051 124.786 120.570 0.275 0.000 2.301 3185 I HA 0.129 4.299 4.170 0.001 0.000 0.292 3185 I C 0.381 176.653 176.117 0.258 0.000 1.046 3185 I CA -0.832 60.585 61.300 0.196 0.000 1.282 3185 I CB 1.307 39.429 38.000 0.203 0.000 1.409 3185 I HN 0.028 nan 8.210 nan 0.000 0.484 3186 V N 7.015 127.013 119.914 0.139 0.000 2.408 3186 V HA 0.114 4.234 4.120 0.001 0.000 0.267 3186 V C 0.458 176.589 176.094 0.062 0.000 1.047 3186 V CA -0.230 62.137 62.300 0.111 0.000 0.937 3186 V CB 1.055 32.853 31.823 -0.041 0.000 0.999 3186 V HN 0.713 nan 8.190 nan 0.000 0.472 3187 E N 8.038 128.296 120.200 0.097 0.000 2.489 3187 E HA 0.319 4.670 4.350 0.001 0.000 0.232 3187 E C -2.600 174.038 176.600 0.063 0.000 0.990 3187 E CA -1.905 54.538 56.400 0.071 0.000 0.768 3187 E CB 1.587 31.343 29.700 0.094 0.000 1.270 3187 E HN 0.463 nan 8.360 nan 0.000 0.423 3188 P HA 0.149 nan 4.420 nan 0.000 0.245 3188 P C -0.771 176.547 177.300 0.031 0.000 1.740 3188 P CA -0.205 62.907 63.100 0.021 0.000 1.125 3188 P CB 0.298 31.987 31.700 -0.018 0.000 1.747 3189 E N 2.873 123.101 120.200 0.047 0.000 2.229 3189 E HA 0.269 4.619 4.350 0.001 0.000 0.283 3189 E C -0.909 175.715 176.600 0.039 0.000 1.030 3189 E CA -0.726 55.706 56.400 0.052 0.000 0.836 3189 E CB 0.889 30.631 29.700 0.070 0.000 1.068 3189 E HN 0.085 nan 8.360 nan 0.000 0.401 3190 V N 7.435 127.366 119.914 0.029 0.000 2.333 3190 V HA 0.191 4.312 4.120 0.001 0.000 0.274 3190 V C 0.496 176.598 176.094 0.012 0.000 1.028 3190 V CA -0.681 61.621 62.300 0.002 0.000 0.851 3190 V CB 0.331 32.140 31.823 -0.023 0.000 1.000 3190 V HN 0.625 nan 8.190 nan 0.000 0.456 3191 I N 3.406 123.990 120.570 0.023 0.000 2.692 3191 I HA 0.274 4.445 4.170 0.001 0.000 0.284 3191 I C -1.656 174.493 176.117 0.053 0.000 1.159 3191 I CA -1.475 59.851 61.300 0.044 0.000 1.423 3191 I CB 0.451 38.490 38.000 0.065 0.000 1.380 3191 I HN 0.342 nan 8.210 nan 0.000 0.580 3192 P HA 0.023 nan 4.420 nan 0.000 0.237 3192 P C -0.526 176.742 177.300 -0.054 0.000 1.178 3192 P CA 0.603 63.638 63.100 -0.109 0.000 0.766 3192 P CB -0.111 31.314 31.700 -0.458 0.000 0.876 3193 D N 0.435 120.893 120.400 0.096 0.000 2.434 3193 D HA 0.400 5.041 4.640 0.001 0.000 0.252 3193 D C 1.063 177.426 176.300 0.105 0.000 1.185 3193 D CA 1.113 55.175 54.000 0.105 0.000 0.886 3193 D CB -0.008 40.844 40.800 0.087 0.000 1.148 3193 D HN 0.101 nan 8.370 nan 0.000 0.483 3194 G N 1.789 110.586 108.800 -0.005 0.000 2.351 3194 G HA2 -0.081 3.880 3.960 0.001 0.000 0.353 3194 G HA3 -0.081 3.880 3.960 0.001 0.000 0.353 3194 G C -0.288 174.478 174.900 -0.223 0.000 1.358 3194 G CA -0.788 44.291 45.100 -0.034 0.000 0.995 3194 G HN 0.380 nan 8.290 nan 0.000 0.611 3195 D N -0.203 120.132 120.400 -0.109 0.000 2.339 3195 D HA 0.017 4.657 4.640 0.001 0.000 0.217 3195 D C 1.145 177.387 176.300 -0.097 0.000 1.050 3195 D CA 0.100 54.042 54.000 -0.097 0.000 0.856 3195 D CB -0.148 40.648 40.800 -0.007 0.000 0.922 3195 D HN 0.597 nan 8.370 nan 0.000 0.518 3196 H N 0.393 119.462 119.070 -0.002 0.000 2.913 3196 H HA 0.107 4.663 4.556 0.001 0.000 0.365 3196 H C -0.261 175.091 175.328 0.040 0.000 1.155 3196 H CA 0.046 56.108 56.048 0.023 0.000 1.417 3196 H CB 0.284 29.960 29.762 -0.143 0.000 1.386 3196 H HN 0.009 nan 8.280 nan 0.000 0.614 3197 D N 0.699 121.241 120.400 0.236 0.000 2.487 3197 D HA 0.135 4.776 4.640 0.001 0.000 0.262 3197 D C 1.399 177.768 176.300 0.114 0.000 1.130 3197 D CA -0.928 53.173 54.000 0.170 0.000 1.038 3197 D CB 1.091 42.013 40.800 0.203 0.000 1.142 3197 D HN 0.380 nan 8.370 nan 0.000 0.575 3198 L N -0.002 121.169 121.223 -0.087 0.000 2.013 3198 L HA -0.170 4.171 4.340 0.001 0.000 0.212 3198 L C 1.863 178.715 176.870 -0.029 0.000 1.073 3198 L CA 2.066 56.758 54.840 -0.247 0.000 0.753 3198 L CB -0.883 40.756 42.059 -0.700 0.000 0.890 3198 L HN 0.494 nan 8.230 nan 0.000 0.432 3199 E N -1.234 118.994 120.200 0.048 0.000 2.085 3199 E HA -0.275 4.075 4.350 0.001 0.000 0.194 3199 E C 2.186 178.877 176.600 0.153 0.000 0.994 3199 E CA 1.770 58.225 56.400 0.093 0.000 0.801 3199 E CB -0.483 29.268 29.700 0.086 0.000 0.743 3199 E HN 0.723 nan 8.360 nan 0.000 0.453 3200 H N -1.081 118.018 119.070 0.047 0.000 2.353 3200 H HA -0.136 4.420 4.556 0.001 0.000 0.300 3200 H C 2.102 177.444 175.328 0.023 0.000 1.090 3200 H CA 1.224 57.291 56.048 0.030 0.000 1.327 3200 H CB -0.057 29.727 29.762 0.036 0.000 1.383 3200 H HN 0.334 nan 8.280 nan 0.000 0.508 3201 C N 0.777 120.157 119.300 0.134 0.000 2.440 3201 C HA -0.113 4.348 4.460 0.001 0.000 0.278 3201 C C 2.771 177.798 174.990 0.062 0.000 1.295 3201 C CA 1.432 60.453 59.018 0.005 0.000 1.738 3201 C CB -0.976 26.772 27.740 0.013 0.000 1.987 3201 C HN 0.674 nan 8.230 nan 0.000 0.492 3202 Q N -1.281 118.574 119.800 0.092 0.000 2.061 3202 Q HA -0.248 4.093 4.340 0.001 0.000 0.204 3202 Q C 2.064 178.140 176.000 0.125 0.000 0.984 3202 Q CA 2.267 58.125 55.803 0.091 0.000 0.846 3202 Q CB -0.502 28.288 28.738 0.088 0.000 0.902 3202 Q HN 0.871 nan 8.270 nan 0.000 0.421 3203 Y N 0.246 120.578 120.300 0.053 0.000 2.097 3203 Y HA -0.291 4.259 4.550 0.001 0.000 0.282 3203 Y C 2.107 178.037 175.900 0.050 0.000 1.152 3203 Y CA 1.830 59.962 58.100 0.053 0.000 1.136 3203 Y CB -0.236 38.257 38.460 0.055 0.000 0.975 3203 Y HN -0.059 nan 8.280 nan 0.000 0.498 3204 V N -0.663 119.409 119.914 0.264 0.000 2.343 3204 V HA -0.325 3.796 4.120 0.001 0.000 0.247 3204 V C 2.229 178.341 176.094 0.030 0.000 1.051 3204 V CA 2.379 64.761 62.300 0.136 0.000 1.036 3204 V CB -1.082 30.787 31.823 0.076 0.000 0.654 3204 V HN 0.490 nan 8.190 nan 0.000 0.451 3205 T N -0.346 114.223 114.554 0.026 0.000 2.684 3205 T HA -0.221 4.130 4.350 0.001 0.000 0.267 3205 T C 1.798 176.500 174.700 0.002 0.000 1.036 3205 T CA 1.787 63.896 62.100 0.016 0.000 1.148 3205 T CB -0.249 68.638 68.868 0.031 0.000 0.863 3205 T HN 0.600 nan 8.240 nan 0.000 0.436 3206 E N 0.784 120.970 120.200 -0.023 0.000 2.051 3206 E HA -0.151 4.200 4.350 0.001 0.000 0.192 3206 E C 2.325 178.880 176.600 -0.076 0.000 0.991 3206 E CA 0.979 57.348 56.400 -0.051 0.000 0.799 3206 E CB -0.126 29.516 29.700 -0.097 0.000 0.748 3206 E HN 0.399 nan 8.360 nan 0.000 0.449 3207 K N 0.912 121.232 120.400 -0.132 0.000 2.057 3207 K HA -0.148 4.173 4.320 0.001 0.000 0.207 3207 K C 2.110 178.688 176.600 -0.036 0.000 1.049 3207 K CA 1.093 57.312 56.287 -0.113 0.000 0.931 3207 K CB 0.038 32.456 32.500 -0.135 0.000 0.714 3207 K HN -0.034 nan 8.250 nan 0.000 0.440 3208 V N 1.677 121.581 119.914 -0.016 0.000 2.358 3208 V HA -0.229 3.891 4.120 0.001 0.000 0.246 3208 V C 2.265 178.361 176.094 0.004 0.000 1.047 3208 V CA 1.474 63.772 62.300 -0.003 0.000 1.035 3208 V CB -0.284 31.539 31.823 0.001 0.000 0.658 3208 V HN 0.334 nan 8.190 nan 0.000 0.452 3209 L N -0.088 121.151 121.223 0.027 0.000 2.141 3209 L HA -0.133 4.208 4.340 0.001 0.000 0.209 3209 L C 2.675 179.633 176.870 0.148 0.000 1.094 3209 L CA 1.369 56.266 54.840 0.094 0.000 0.763 3209 L CB -0.747 41.380 42.059 0.113 0.000 0.908 3209 L HN 0.373 nan 8.230 nan 0.000 0.437 3210 A N 0.105 122.968 122.820 0.072 0.000 1.898 3210 A HA -0.112 4.208 4.320 0.001 0.000 0.216 3210 A C 2.541 180.160 177.584 0.059 0.000 1.181 3210 A CA 1.594 53.671 52.037 0.066 0.000 0.620 3210 A CB -0.587 18.418 19.000 0.008 0.000 0.819 3210 A HN 0.375 nan 8.150 nan 0.000 0.442 3211 A N -0.552 122.282 122.820 0.023 0.000 1.898 3211 A HA 0.040 4.361 4.320 0.001 0.000 0.216 3211 A C 2.231 179.804 177.584 -0.018 0.000 1.181 3211 A CA 1.679 53.719 52.037 0.006 0.000 0.620 3211 A CB -0.956 18.042 19.000 -0.003 0.000 0.819 3211 A HN 0.352 nan 8.150 nan 0.000 0.442 3212 V N -1.399 118.482 119.914 -0.055 0.000 2.255 3212 V HA -0.316 3.805 4.120 0.001 0.000 0.247 3212 V C 2.372 178.322 176.094 -0.240 0.000 1.051 3212 V CA 2.188 64.384 62.300 -0.173 0.000 1.018 3212 V CB -1.069 30.604 31.823 -0.251 0.000 0.641 3212 V HN 0.682 nan 8.190 nan 0.000 0.445 3213 Y N 0.082 120.366 120.300 -0.027 0.000 2.352 3213 Y HA -0.203 4.348 4.550 0.001 0.000 0.292 3213 Y C 2.475 178.369 175.900 -0.011 0.000 1.136 3213 Y CA 1.781 59.868 58.100 -0.022 0.000 1.227 3213 Y CB -0.171 38.277 38.460 -0.020 0.000 0.991 3213 Y HN 0.163 nan 8.280 nan 0.000 0.545 3214 K N 0.816 121.276 120.400 0.100 0.000 2.025 3214 K HA -0.087 4.234 4.320 0.001 0.000 0.207 3214 K C 2.150 178.774 176.600 0.041 0.000 1.049 3214 K CA 1.417 57.742 56.287 0.064 0.000 0.933 3214 K CB -0.680 31.846 32.500 0.043 0.000 0.714 3214 K HN 0.141 nan 8.250 nan 0.000 0.438 3215 A N 0.971 123.801 122.820 0.016 0.000 1.883 3215 A HA -0.129 4.191 4.320 0.001 0.000 0.217 3215 A C 2.288 179.901 177.584 0.048 0.000 1.186 3215 A CA 1.784 53.843 52.037 0.037 0.000 0.624 3215 A CB -0.866 18.107 19.000 -0.044 0.000 0.822 3215 A HN 0.338 nan 8.150 nan 0.000 0.444 3216 L N -0.129 121.067 121.223 -0.045 0.000 2.079 3216 L HA -0.233 4.108 4.340 0.001 0.000 0.210 3216 L C 2.627 179.519 176.870 0.036 0.000 1.081 3216 L CA 1.591 56.408 54.840 -0.039 0.000 0.752 3216 L CB -0.571 41.432 42.059 -0.093 0.000 0.896 3216 L HN 0.585 nan 8.230 nan 0.000 0.433 3217 N N -0.076 118.654 118.700 0.049 0.000 2.171 3217 N HA -0.179 4.562 4.740 0.001 0.000 0.184 3217 N C 1.307 176.788 175.510 -0.050 0.000 1.021 3217 N CA 1.343 54.418 53.050 0.042 0.000 0.854 3217 N CB 0.068 38.592 38.487 0.061 0.000 0.994 3217 N HN 0.279 nan 8.380 nan 0.000 0.426 3218 D N -0.012 120.352 120.400 -0.059 0.000 2.178 3218 D HA -0.123 4.518 4.640 0.001 0.000 0.201 3218 D C 1.199 177.209 176.300 -0.482 0.000 0.980 3218 D CA 1.032 54.916 54.000 -0.194 0.000 0.842 3218 D CB -0.436 40.305 40.800 -0.098 0.000 0.948 3218 D HN 0.492 nan 8.370 nan 0.000 0.472 3219 H N -0.728 118.149 119.070 -0.323 0.000 2.539 3219 H HA 0.061 4.618 4.556 0.001 0.000 0.267 3219 H C -0.059 175.119 175.328 -0.249 0.000 0.982 3219 H CA 0.297 56.164 56.048 -0.301 0.000 1.146 3219 H CB 0.117 29.791 29.762 -0.147 0.000 1.382 3219 H HN 0.399 nan 8.280 nan 0.000 0.577 3220 H N -1.661 117.469 119.070 0.099 0.000 2.886 3220 H HA -0.116 4.441 4.556 0.001 0.000 0.294 3220 H C -0.278 175.108 175.328 0.096 0.000 1.246 3220 H CA 0.052 56.151 56.048 0.085 0.000 1.142 3220 H CB -2.016 27.785 29.762 0.064 0.000 1.358 3220 H HN 0.005 nan 8.280 nan 0.000 0.406 3221 V N 0.955 120.958 119.914 0.148 0.000 2.530 3221 V HA -0.032 4.088 4.120 0.001 0.000 0.282 3221 V C 0.570 176.768 176.094 0.174 0.000 1.048 3221 V CA -0.207 62.165 62.300 0.121 0.000 0.997 3221 V CB 0.271 32.113 31.823 0.032 0.000 0.987 3221 V HN 0.340 nan 8.190 nan 0.000 0.477 3222 Y N 5.485 125.810 120.300 0.042 0.000 2.640 3222 Y HA 0.253 4.804 4.550 0.001 0.000 0.355 3222 Y C 1.040 176.964 175.900 0.041 0.000 1.088 3222 Y CA -0.486 57.640 58.100 0.043 0.000 1.443 3222 Y CB 0.119 38.597 38.460 0.030 0.000 1.224 3222 Y HN 0.636 nan 8.280 nan 0.000 0.516 3223 L N 3.312 124.447 121.223 -0.147 0.000 2.127 3223 L HA -0.216 4.124 4.340 0.001 0.000 0.211 3223 L C 1.596 178.289 176.870 -0.295 0.000 1.089 3223 L CA 1.410 56.166 54.840 -0.140 0.000 0.757 3223 L CB -0.212 41.826 42.059 -0.034 0.000 0.899 3223 L HN 0.530 nan 8.230 nan 0.000 0.434 3224 E N 0.182 119.968 120.200 -0.690 0.000 2.338 3224 E HA -0.079 4.272 4.350 0.001 0.000 0.197 3224 E C 1.539 177.921 176.600 -0.362 0.000 1.007 3224 E CA 0.916 56.966 56.400 -0.583 0.000 0.849 3224 E CB -0.105 29.151 29.700 -0.740 0.000 0.774 3224 E HN 0.399 nan 8.360 nan 0.000 0.506 3225 G N 0.715 109.323 108.800 -0.319 0.000 4.486 3225 G HA2 0.266 4.226 3.960 0.001 0.000 0.306 3225 G HA3 0.266 4.226 3.960 0.001 0.000 0.306 3225 G C -0.267 174.646 174.900 0.022 0.000 1.331 3225 G CA 0.075 45.206 45.100 0.051 0.000 1.113 3225 G HN 0.162 nan 8.290 nan 0.000 0.594 3226 T N -2.394 112.138 114.554 -0.038 0.000 2.787 3226 T HA 0.760 5.111 4.350 0.001 0.000 0.297 3226 T C -0.960 173.713 174.700 -0.045 0.000 1.221 3226 T CA -0.834 61.250 62.100 -0.027 0.000 1.006 3226 T CB 2.086 70.942 68.868 -0.020 0.000 1.328 3226 T HN 0.015 nan 8.240 nan 0.000 0.509 3227 L N 0.620 121.816 121.223 -0.045 0.000 2.376 3227 L HA 0.666 5.007 4.340 0.001 0.000 0.258 3227 L C -1.193 175.641 176.870 -0.059 0.000 1.013 3227 L CA -1.277 53.514 54.840 -0.081 0.000 0.822 3227 L CB 2.381 44.360 42.059 -0.134 0.000 1.388 3227 L HN 0.571 nan 8.230 nan 0.000 0.413 3228 L N 2.525 123.685 121.223 -0.105 0.000 2.333 3228 L HA 0.467 4.808 4.340 0.001 0.000 0.280 3228 L C -0.863 175.906 176.870 -0.170 0.000 1.004 3228 L CA -0.446 54.331 54.840 -0.104 0.000 0.820 3228 L CB 1.718 43.717 42.059 -0.101 0.000 1.247 3228 L HN 0.671 nan 8.230 nan 0.000 0.416 3229 K N 7.629 127.966 120.400 -0.104 0.000 2.484 3229 K HA 0.488 4.808 4.320 0.001 0.000 0.226 3229 K C -2.690 173.874 176.600 -0.060 0.000 1.031 3229 K CA -1.461 54.770 56.287 -0.092 0.000 1.026 3229 K CB 1.356 33.855 32.500 -0.001 0.000 1.412 3229 K HN 0.345 nan 8.250 nan 0.000 0.492 3230 P HA 0.185 nan 4.420 nan 0.000 0.287 3230 P C -1.264 176.105 177.300 0.114 0.000 1.292 3230 P CA -0.741 62.343 63.100 -0.026 0.000 0.879 3230 P CB 1.057 32.708 31.700 -0.082 0.000 1.214 3231 N N 1.119 119.904 118.700 0.140 0.000 2.513 3231 N HA 0.175 4.915 4.740 0.001 0.000 0.274 3231 N C 0.103 175.767 175.510 0.256 0.000 1.189 3231 N CA -0.302 52.858 53.050 0.182 0.000 0.975 3231 N CB 0.484 39.029 38.487 0.097 0.000 1.157 3231 N HN 0.392 nan 8.380 nan 0.000 0.465 3232 M N 0.645 120.376 119.600 0.218 0.000 2.228 3232 M HA 0.125 4.605 4.480 0.001 0.000 0.326 3232 M C -0.093 176.228 176.300 0.035 0.000 1.122 3232 M CA -0.705 54.646 55.300 0.086 0.000 1.161 3232 M CB 1.104 33.626 32.600 -0.130 0.000 1.437 3232 M HN 0.222 nan 8.290 nan 0.000 0.465 3233 V N 2.334 122.252 119.914 0.007 0.000 2.387 3233 V HA 0.243 4.363 4.120 0.001 0.000 0.260 3233 V C 0.429 176.473 176.094 -0.083 0.000 1.054 3233 V CA -0.096 62.194 62.300 -0.018 0.000 0.967 3233 V CB -0.150 31.671 31.823 -0.003 0.000 1.036 3233 V HN 1.018 nan 8.190 nan 0.000 0.481 3234 T N 2.419 116.916 114.554 -0.095 0.000 2.838 3234 T HA 0.859 5.210 4.350 0.001 0.000 0.292 3234 T C -0.094 174.508 174.700 -0.164 0.000 1.113 3234 T CA -0.328 61.675 62.100 -0.161 0.000 1.008 3234 T CB 1.964 70.756 68.868 -0.127 0.000 1.259 3234 T HN 0.773 nan 8.240 nan 0.000 0.520 3235 A N 0.173 122.854 122.820 -0.232 0.000 2.296 3235 A HA 0.737 5.058 4.320 0.001 0.000 0.264 3235 A C 0.930 178.387 177.584 -0.212 0.000 1.097 3235 A CA -0.170 51.771 52.037 -0.159 0.000 0.811 3235 A CB -0.620 18.348 19.000 -0.053 0.000 1.072 3235 A HN 1.370 nan 8.150 nan 0.000 0.495 3236 G N -1.423 107.132 108.800 -0.409 0.000 2.503 3236 G HA2 0.377 4.338 3.960 0.001 0.000 0.257 3236 G HA3 0.377 4.338 3.960 0.001 0.000 0.257 3236 G C 0.609 175.296 174.900 -0.355 0.000 1.214 3236 G CA -0.210 44.457 45.100 -0.721 0.000 0.839 3236 G HN 0.763 nan 8.290 nan 0.000 0.559 3237 H N 1.928 120.890 119.070 -0.179 0.000 2.390 3237 H HA -0.156 4.401 4.556 0.001 0.000 0.298 3237 H C 2.642 177.916 175.328 -0.091 0.000 1.106 3237 H CA 1.639 57.628 56.048 -0.098 0.000 1.297 3237 H CB -0.184 29.536 29.762 -0.071 0.000 1.375 3237 H HN 0.526 nan 8.280 nan 0.000 0.509 3238 A N 0.332 123.146 122.820 -0.009 0.000 2.235 3238 A HA 0.015 4.335 4.320 0.001 0.000 0.208 3238 A C 1.318 178.880 177.584 -0.036 0.000 1.172 3238 A CA -0.086 51.938 52.037 -0.022 0.000 0.786 3238 A CB -0.560 18.423 19.000 -0.029 0.000 0.804 3238 A HN 0.390 nan 8.150 nan 0.000 0.479 3239 C N 1.099 120.365 119.300 -0.057 0.000 2.644 3239 C HA 0.351 4.811 4.460 0.001 0.000 0.417 3239 C C 2.077 177.072 174.990 0.008 0.000 1.304 3239 C CA 0.659 59.666 59.018 -0.019 0.000 2.035 3239 C CB 0.003 27.743 27.740 -0.000 0.000 2.673 3239 C HN 0.631 nan 8.230 nan 0.000 0.602 3240 T N 1.985 116.543 114.554 0.006 0.000 3.065 3240 T HA 0.102 4.452 4.350 0.001 0.000 0.252 3240 T C 0.494 175.178 174.700 -0.027 0.000 1.099 3240 T CA 0.338 62.431 62.100 -0.012 0.000 1.063 3240 T CB -0.109 68.748 68.868 -0.019 0.000 0.948 3240 T HN 0.720 nan 8.240 nan 0.000 0.506 3241 K N 1.594 121.984 120.400 -0.017 0.000 2.202 3241 K HA 0.462 4.783 4.320 0.001 0.000 0.264 3241 K C -0.258 176.232 176.600 -0.185 0.000 1.010 3241 K CA -0.496 55.709 56.287 -0.137 0.000 0.940 3241 K CB 0.863 33.258 32.500 -0.175 0.000 0.983 3241 K HN 0.069 nan 8.250 nan 0.000 0.475 3242 K N 2.136 122.326 120.400 -0.349 0.000 2.221 3242 K HA 0.310 4.630 4.320 0.001 0.000 0.258 3242 K C -1.677 174.658 176.600 -0.442 0.000 0.944 3242 K CA -0.415 55.733 56.287 -0.233 0.000 0.823 3242 K CB 0.713 33.136 32.500 -0.128 0.000 1.113 3242 K HN 0.382 nan 8.250 nan 0.000 0.431 3243 Y N 0.717 121.009 120.300 -0.014 0.000 2.512 3243 Y HA 0.320 4.870 4.550 0.001 0.000 0.348 3243 Y C 0.277 176.166 175.900 -0.019 0.000 0.990 3243 Y CA -0.933 57.159 58.100 -0.013 0.000 1.033 3243 Y CB 2.175 40.629 38.460 -0.010 0.000 1.259 3243 Y HN 0.697 nan 8.280 nan 0.000 0.461 3244 T N -1.616 113.017 114.554 0.131 0.000 2.902 3244 T HA 0.295 4.645 4.350 0.001 0.000 0.280 3244 T C -2.212 172.516 174.700 0.046 0.000 0.992 3244 T CA -2.133 60.002 62.100 0.058 0.000 1.015 3244 T CB 1.614 70.500 68.868 0.031 0.000 1.044 3244 T HN 0.292 nan 8.240 nan 0.000 0.520 3245 P HA -0.155 nan 4.420 nan 0.000 0.216 3245 P C 1.632 178.928 177.300 -0.006 0.000 1.150 3245 P CA 1.061 64.153 63.100 -0.013 0.000 0.843 3245 P CB 0.056 31.739 31.700 -0.029 0.000 0.787 3246 E N 0.105 120.309 120.200 0.007 0.000 2.077 3246 E HA -0.226 4.124 4.350 0.001 0.000 0.193 3246 E C 1.979 178.592 176.600 0.022 0.000 0.989 3246 E CA 1.303 57.710 56.400 0.012 0.000 0.800 3246 E CB -1.083 28.627 29.700 0.016 0.000 0.746 3246 E HN 0.426 nan 8.360 nan 0.000 0.452 3247 Q N 0.720 120.548 119.800 0.047 0.000 2.050 3247 Q HA -0.080 4.260 4.340 0.001 0.000 0.202 3247 Q C 2.515 178.527 176.000 0.021 0.000 0.980 3247 Q CA 1.503 57.349 55.803 0.071 0.000 0.840 3247 Q CB -0.082 28.760 28.738 0.173 0.000 0.898 3247 Q HN 0.110 nan 8.270 nan 0.000 0.424 3248 V N 0.872 120.784 119.914 -0.004 0.000 2.343 3248 V HA -0.305 3.816 4.120 0.001 0.000 0.247 3248 V C 2.222 178.281 176.094 -0.059 0.000 1.051 3248 V CA 1.873 64.136 62.300 -0.061 0.000 1.036 3248 V CB -0.994 30.786 31.823 -0.072 0.000 0.654 3248 V HN 0.427 nan 8.190 nan 0.000 0.451 3249 A N -0.606 122.186 122.820 -0.047 0.000 1.877 3249 A HA -0.281 4.040 4.320 0.001 0.000 0.216 3249 A C 2.175 179.753 177.584 -0.009 0.000 1.186 3249 A CA 2.424 54.435 52.037 -0.043 0.000 0.620 3249 A CB -0.586 18.397 19.000 -0.028 0.000 0.822 3249 A HN 0.461 nan 8.150 nan 0.000 0.443 3250 M N 0.275 119.876 119.600 0.001 0.000 2.108 3250 M HA -0.121 4.359 4.480 0.001 0.000 0.261 3250 M C 2.118 178.430 176.300 0.020 0.000 1.066 3250 M CA 1.936 57.242 55.300 0.010 0.000 1.107 3250 M CB -0.551 32.061 32.600 0.019 0.000 1.356 3250 M HN 0.389 nan 8.290 nan 0.000 0.406 3251 A N -1.770 121.058 122.820 0.014 0.000 1.968 3251 A HA -0.088 4.233 4.320 0.001 0.000 0.217 3251 A C 2.147 179.754 177.584 0.039 0.000 1.169 3251 A CA 1.993 54.043 52.037 0.021 0.000 0.638 3251 A CB -1.145 17.846 19.000 -0.014 0.000 0.812 3251 A HN 0.562 nan 8.150 nan 0.000 0.446 3252 T N -0.248 114.323 114.554 0.028 0.000 2.732 3252 T HA -0.088 4.263 4.350 0.001 0.000 0.261 3252 T C 1.913 176.687 174.700 0.124 0.000 1.040 3252 T CA 1.631 63.773 62.100 0.070 0.000 1.145 3252 T CB -0.449 68.432 68.868 0.021 0.000 0.866 3252 T HN 0.160 nan 8.240 nan 0.000 0.427 3253 V N 2.576 122.557 119.914 0.112 0.000 2.407 3253 V HA -0.192 3.929 4.120 0.001 0.000 0.248 3253 V C 3.038 179.225 176.094 0.155 0.000 1.055 3253 V CA 2.087 64.477 62.300 0.151 0.000 1.049 3253 V CB -1.698 30.189 31.823 0.106 0.000 0.662 3253 V HN 0.734 nan 8.190 nan 0.000 0.455 3254 T N -0.322 114.296 114.554 0.106 0.000 2.684 3254 T HA -0.203 4.147 4.350 0.001 0.000 0.267 3254 T C 2.003 176.904 174.700 0.335 0.000 1.036 3254 T CA 1.668 63.904 62.100 0.227 0.000 1.148 3254 T CB -0.668 68.295 68.868 0.158 0.000 0.863 3254 T HN 0.492 nan 8.240 nan 0.000 0.436 3255 A N 1.465 124.395 122.820 0.184 0.000 1.908 3255 A HA 0.058 4.378 4.320 0.001 0.000 0.218 3255 A C 2.371 180.035 177.584 0.134 0.000 1.181 3255 A CA 1.546 53.660 52.037 0.128 0.000 0.627 3255 A CB -0.924 18.129 19.000 0.088 0.000 0.818 3255 A HN 0.429 nan 8.150 nan 0.000 0.445 3256 L N -0.078 121.243 121.223 0.164 0.000 2.023 3256 L HA -0.132 4.209 4.340 0.001 0.000 0.205 3256 L C 2.598 179.641 176.870 0.288 0.000 1.073 3256 L CA 2.250 57.151 54.840 0.102 0.000 0.745 3256 L CB -1.071 40.978 42.059 -0.017 0.000 0.900 3256 L HN 0.783 nan 8.230 nan 0.000 0.435 3257 H N -1.032 118.227 119.070 0.315 0.000 2.561 3257 H HA -0.058 4.499 4.556 0.001 0.000 0.278 3257 H C 2.005 177.426 175.328 0.155 0.000 1.014 3257 H CA 1.080 57.329 56.048 0.335 0.000 1.211 3257 H CB -0.166 29.738 29.762 0.235 0.000 1.365 3257 H HN 0.224 nan 8.280 nan 0.000 0.594 3258 R N 0.120 120.591 120.500 -0.049 0.000 2.254 3258 R HA 0.033 4.373 4.340 0.001 0.000 0.195 3258 R C 1.685 177.945 176.300 -0.068 0.000 0.957 3258 R CA 1.282 57.282 56.100 -0.165 0.000 1.024 3258 R CB 0.482 30.732 30.300 -0.084 0.000 0.952 3258 R HN 0.609 nan 8.270 nan 0.000 0.484 3259 T N -4.498 110.047 114.554 -0.015 0.000 3.057 3259 T HA 0.204 4.554 4.350 0.001 0.000 0.254 3259 T C 0.398 175.014 174.700 -0.140 0.000 0.965 3259 T CA -0.305 61.775 62.100 -0.034 0.000 0.978 3259 T CB 0.233 69.108 68.868 0.013 0.000 1.169 3259 T HN -0.197 nan 8.240 nan 0.000 0.489 3260 V N 5.724 125.542 119.914 -0.159 0.000 2.372 3260 V HA 0.347 4.468 4.120 0.001 0.000 0.261 3260 V C -2.172 173.860 176.094 -0.102 0.000 1.055 3260 V CA -2.119 59.929 62.300 -0.420 0.000 0.930 3260 V CB 0.266 31.814 31.823 -0.458 0.000 1.031 3260 V HN 0.372 nan 8.190 nan 0.000 0.479 3261 P HA 0.020 nan 4.420 nan 0.000 0.266 3261 P C 0.675 178.052 177.300 0.128 0.000 1.193 3261 P CA 0.043 63.103 63.100 -0.067 0.000 0.770 3261 P CB 1.026 32.641 31.700 -0.143 0.000 0.836 3262 A N 2.885 125.734 122.820 0.047 0.000 2.178 3262 A HA -0.031 4.290 4.320 0.001 0.000 0.218 3262 A C 2.165 179.759 177.584 0.018 0.000 1.157 3262 A CA 1.578 53.592 52.037 -0.038 0.000 0.689 3262 A CB -1.169 17.732 19.000 -0.164 0.000 0.787 3262 A HN 0.602 nan 8.150 nan 0.000 0.465 3263 A N -0.356 122.469 122.820 0.008 0.000 1.969 3263 A HA 0.178 4.499 4.320 0.001 0.000 0.218 3263 A C 1.071 178.645 177.584 -0.015 0.000 1.169 3263 A CA 0.815 52.834 52.037 -0.030 0.000 0.635 3263 A CB -0.626 18.337 19.000 -0.062 0.000 0.810 3263 A HN 0.331 nan 8.150 nan 0.000 0.445 3264 V N 2.478 122.426 119.914 0.057 0.000 2.450 3264 V HA 0.032 4.152 4.120 0.001 0.000 0.281 3264 V C -0.870 175.291 176.094 0.111 0.000 1.019 3264 V CA -0.433 61.899 62.300 0.054 0.000 1.062 3264 V CB 0.638 32.475 31.823 0.024 0.000 0.979 3264 V HN 0.413 nan 8.190 nan 0.000 0.477 3265 P HA -0.003 nan 4.420 nan 0.000 0.220 3265 P C 0.639 177.974 177.300 0.057 0.000 1.148 3265 P CA 1.297 64.417 63.100 0.033 0.000 0.803 3265 P CB 0.511 32.197 31.700 -0.023 0.000 0.782 3266 G N -0.913 107.892 108.800 0.007 0.000 2.632 3266 G HA2 0.561 4.522 3.960 0.001 0.000 0.292 3266 G HA3 0.561 4.522 3.960 0.001 0.000 0.292 3266 G C -1.938 172.863 174.900 -0.164 0.000 1.465 3266 G CA -0.577 44.502 45.100 -0.034 0.000 0.824 3266 G HN -0.029 nan 8.290 nan 0.000 0.509 3267 I N 0.227 120.651 120.570 -0.243 0.000 2.447 3267 I HA 0.339 4.510 4.170 0.001 0.000 0.287 3267 I C -0.638 175.227 176.117 -0.421 0.000 1.023 3267 I CA -0.648 60.395 61.300 -0.430 0.000 1.083 3267 I CB 2.156 39.752 38.000 -0.674 0.000 1.245 3267 I HN 0.376 nan 8.210 nan 0.000 0.434 3268 C N 6.496 125.569 119.300 -0.379 0.000 2.294 3268 C HA 0.443 4.904 4.460 0.001 0.000 0.319 3268 C C 0.131 175.007 174.990 -0.190 0.000 1.164 3268 C CA -0.789 58.075 59.018 -0.256 0.000 1.497 3268 C CB -0.853 26.758 27.740 -0.215 0.000 2.061 3268 C HN 0.445 nan 8.230 nan 0.000 0.438 3269 F N 3.774 123.748 119.950 0.039 0.000 2.572 3269 F HA 0.291 4.819 4.527 0.001 0.000 0.370 3269 F C 0.835 176.802 175.800 0.277 0.000 1.103 3269 F CA -0.438 57.648 58.000 0.145 0.000 1.286 3269 F CB 0.349 39.469 39.000 0.200 0.000 1.105 3269 F HN 0.462 nan 8.300 nan 0.000 0.583 3270 L N 0.534 122.000 121.223 0.406 0.000 2.395 3270 L HA 0.419 4.759 4.340 0.001 0.000 0.269 3270 L C 0.940 178.025 176.870 0.360 0.000 1.133 3270 L CA -0.186 54.871 54.840 0.361 0.000 0.812 3270 L CB 0.568 42.756 42.059 0.215 0.000 1.125 3270 L HN 0.623 nan 8.230 nan 0.000 0.452 3271 S N 0.638 116.494 115.700 0.259 0.000 2.406 3271 S HA 0.079 4.549 4.470 0.001 0.000 0.228 3271 S C 1.454 176.031 174.600 -0.039 0.000 1.020 3271 S CA 0.305 58.432 58.200 -0.123 0.000 0.965 3271 S CB -1.046 61.976 63.200 -0.297 0.000 0.798 3271 S HN 1.589 nan 8.310 nan 0.000 0.488 3272 G N 1.570 110.396 108.800 0.044 0.000 2.366 3272 G HA2 0.091 4.051 3.960 0.001 0.000 0.299 3272 G HA3 0.091 4.051 3.960 0.001 0.000 0.299 3272 G C 0.928 175.845 174.900 0.028 0.000 1.020 3272 G CA 0.304 45.430 45.100 0.044 0.000 1.026 3272 G HN 1.708 nan 8.290 nan 0.000 0.512 3273 G N -1.516 107.278 108.800 -0.011 0.000 2.179 3273 G HA2 -0.277 3.684 3.960 0.001 0.000 0.257 3273 G HA3 -0.277 3.684 3.960 0.001 0.000 0.257 3273 G C 0.457 175.340 174.900 -0.028 0.000 1.010 3273 G CA 1.141 46.220 45.100 -0.034 0.000 0.736 3273 G HN 1.205 nan 8.290 nan 0.000 0.513 3274 M N 1.612 121.180 119.600 -0.054 0.000 2.274 3274 M HA 0.480 4.961 4.480 0.001 0.000 0.344 3274 M C 1.437 177.675 176.300 -0.103 0.000 1.161 3274 M CA 0.102 55.359 55.300 -0.071 0.000 1.126 3274 M CB 0.827 33.349 32.600 -0.130 0.000 1.522 3274 M HN 0.584 nan 8.290 nan 0.000 0.461 3275 S N 2.135 117.793 115.700 -0.071 0.000 2.587 3275 S HA 0.061 4.532 4.470 0.001 0.000 0.260 3275 S C 0.684 175.223 174.600 -0.102 0.000 1.353 3275 S CA -0.317 57.846 58.200 -0.063 0.000 0.995 3275 S CB 0.595 63.779 63.200 -0.026 0.000 0.912 3275 S HN 0.829 nan 8.310 nan 0.000 0.568 3276 E N 0.466 120.622 120.200 -0.073 0.000 2.058 3276 E HA -0.204 4.147 4.350 0.001 0.000 0.194 3276 E C 1.939 178.481 176.600 -0.096 0.000 0.997 3276 E CA 1.529 57.879 56.400 -0.084 0.000 0.801 3276 E CB -0.188 29.491 29.700 -0.035 0.000 0.746 3276 E HN 0.808 nan 8.360 nan 0.000 0.450 3277 E N 1.169 121.340 120.200 -0.050 0.000 2.028 3277 E HA -0.180 4.170 4.350 0.001 0.000 0.191 3277 E C 1.645 178.207 176.600 -0.064 0.000 0.988 3277 E CA 1.427 57.810 56.400 -0.029 0.000 0.799 3277 E CB -0.115 29.618 29.700 0.055 0.000 0.755 3277 E HN 0.140 nan 8.360 nan 0.000 0.447 3278 D N -0.005 120.357 120.400 -0.064 0.000 2.123 3278 D HA -0.180 4.460 4.640 0.001 0.000 0.196 3278 D C 1.780 178.015 176.300 -0.109 0.000 0.992 3278 D CA 1.604 55.560 54.000 -0.074 0.000 0.833 3278 D CB -0.475 40.291 40.800 -0.056 0.000 0.954 3278 D HN 0.310 nan 8.370 nan 0.000 0.455 3279 A N 0.413 123.132 122.820 -0.168 0.000 1.940 3279 A HA -0.183 4.138 4.320 0.001 0.000 0.219 3279 A C 2.382 179.928 177.584 -0.064 0.000 1.176 3279 A CA 2.198 54.096 52.037 -0.233 0.000 0.631 3279 A CB -0.789 17.832 19.000 -0.632 0.000 0.814 3279 A HN 0.241 nan 8.150 nan 0.000 0.446 3280 T N 0.183 114.670 114.554 -0.112 0.000 2.809 3280 T HA 0.011 4.361 4.350 0.001 0.000 0.260 3280 T C 1.855 176.472 174.700 -0.139 0.000 1.039 3280 T CA 1.214 63.207 62.100 -0.178 0.000 1.141 3280 T CB -0.352 68.273 68.868 -0.404 0.000 0.869 3280 T HN 0.344 nan 8.240 nan 0.000 0.437 3281 L N 1.320 122.486 121.223 -0.094 0.000 2.012 3281 L HA -0.168 4.173 4.340 0.001 0.000 0.210 3281 L C 2.538 179.396 176.870 -0.021 0.000 1.073 3281 L CA 1.211 56.041 54.840 -0.017 0.000 0.748 3281 L CB -0.674 41.347 42.059 -0.064 0.000 0.891 3281 L HN 0.224 nan 8.230 nan 0.000 0.431 3282 N N -0.072 118.594 118.700 -0.056 0.000 2.188 3282 N HA -0.168 4.573 4.740 0.001 0.000 0.184 3282 N C 1.854 177.307 175.510 -0.095 0.000 1.018 3282 N CA 0.996 53.996 53.050 -0.082 0.000 0.858 3282 N CB -0.365 38.051 38.487 -0.118 0.000 0.989 3282 N HN 0.272 nan 8.380 nan 0.000 0.426 3283 L N 0.648 121.839 121.223 -0.053 0.000 2.083 3283 L HA -0.169 4.171 4.340 0.001 0.000 0.209 3283 L C 1.950 178.838 176.870 0.031 0.000 1.083 3283 L CA 1.288 56.121 54.840 -0.011 0.000 0.752 3283 L CB -0.239 41.883 42.059 0.106 0.000 0.899 3283 L HN 0.148 nan 8.230 nan 0.000 0.433 3284 N N 0.048 118.775 118.700 0.045 0.000 2.039 3284 N HA -0.168 4.573 4.740 0.001 0.000 0.193 3284 N C 1.816 177.363 175.510 0.063 0.000 1.044 3284 N CA 1.853 54.957 53.050 0.090 0.000 0.847 3284 N CB -0.178 38.410 38.487 0.167 0.000 1.030 3284 N HN 0.352 nan 8.380 nan 0.000 0.422 3285 A N 0.539 123.380 122.820 0.035 0.000 1.940 3285 A HA -0.126 4.195 4.320 0.001 0.000 0.219 3285 A C 2.324 179.916 177.584 0.013 0.000 1.176 3285 A CA 1.223 53.271 52.037 0.019 0.000 0.631 3285 A CB -0.904 18.095 19.000 -0.002 0.000 0.814 3285 A HN 0.442 nan 8.150 nan 0.000 0.446 3286 I N -0.033 120.533 120.570 -0.006 0.000 2.264 3286 I HA -0.254 3.916 4.170 0.001 0.000 0.248 3286 I C 1.901 178.060 176.117 0.071 0.000 1.111 3286 I CA 1.176 62.479 61.300 0.005 0.000 1.382 3286 I CB -0.306 37.647 38.000 -0.078 0.000 1.060 3286 I HN 0.374 nan 8.210 nan 0.000 0.418 3287 N N 0.290 119.038 118.700 0.081 0.000 2.463 3287 N HA 0.028 4.768 4.740 0.001 0.000 0.181 3287 N C 1.640 177.191 175.510 0.069 0.000 1.078 3287 N CA 0.777 53.885 53.050 0.097 0.000 0.902 3287 N CB 0.388 38.938 38.487 0.107 0.000 0.970 3287 N HN 0.383 nan 8.380 nan 0.000 0.451 3288 L N -0.088 121.167 121.223 0.053 0.000 2.554 3288 L HA 0.177 4.518 4.340 0.001 0.000 0.225 3288 L C 0.950 177.836 176.870 0.027 0.000 1.104 3288 L CA -0.253 54.610 54.840 0.038 0.000 0.866 3288 L CB 0.267 42.347 42.059 0.035 0.000 1.047 3288 L HN 0.048 nan 8.230 nan 0.000 0.468 3289 C N 4.223 123.540 119.300 0.029 0.000 2.601 3289 C HA 0.093 4.553 4.460 0.001 0.000 0.405 3289 C C -1.178 173.815 174.990 0.004 0.000 1.441 3289 C CA -1.291 57.736 59.018 0.015 0.000 1.555 3289 C CB -0.218 27.533 27.740 0.019 0.000 2.450 3289 C HN 0.148 nan 8.230 nan 0.000 0.614 3290 P HA 0.169 nan 4.420 nan 0.000 0.231 3290 P C -0.567 176.707 177.300 -0.043 0.000 1.756 3290 P CA 0.756 63.845 63.100 -0.018 0.000 0.990 3290 P CB -0.350 31.343 31.700 -0.011 0.000 1.973 3291 L N 1.320 122.504 121.223 -0.065 0.000 2.303 3291 L HA 0.553 4.894 4.340 0.001 0.000 0.256 3291 L C -2.419 174.388 176.870 -0.105 0.000 1.034 3291 L CA -2.992 51.768 54.840 -0.133 0.000 0.832 3291 L CB 2.186 44.077 42.059 -0.280 0.000 1.403 3291 L HN -0.167 nan 8.230 nan 0.000 0.419 3292 P HA 0.145 nan 4.420 nan 0.000 0.271 3292 P C -1.344 175.829 177.300 -0.211 0.000 1.226 3292 P CA -0.001 63.034 63.100 -0.109 0.000 0.765 3292 P CB 0.267 31.947 31.700 -0.034 0.000 0.835 3293 K N 4.660 124.891 120.400 -0.282 0.000 2.687 3293 K HA 0.205 4.526 4.320 0.001 0.000 0.197 3293 K C -1.746 174.507 176.600 -0.579 0.000 1.049 3293 K CA -1.086 54.946 56.287 -0.426 0.000 1.030 3293 K CB 1.364 33.857 32.500 -0.011 0.000 1.261 3293 K HN 0.359 nan 8.250 nan 0.000 0.565 3294 P HA -0.064 nan 4.420 nan 0.000 0.245 3294 P C -0.729 176.240 177.300 -0.552 0.000 1.212 3294 P CA 0.288 62.931 63.100 -0.762 0.000 0.774 3294 P CB 0.206 31.428 31.700 -0.797 0.000 0.999 3295 W N -0.109 121.176 121.300 -0.024 0.000 2.929 3295 W HA 0.469 5.130 4.660 0.001 0.000 0.345 3295 W C -0.106 176.398 176.519 -0.025 0.000 1.151 3295 W CA -1.235 56.087 57.345 -0.038 0.000 1.111 3295 W CB 0.461 29.886 29.460 -0.057 0.000 1.449 3295 W HN -0.443 nan 8.180 nan 0.000 0.572 3296 K N 1.939 122.496 120.400 0.261 0.000 2.298 3296 K HA 0.270 4.591 4.320 0.001 0.000 0.280 3296 K C -0.279 176.408 176.600 0.145 0.000 1.032 3296 K CA -0.577 55.798 56.287 0.147 0.000 0.958 3296 K CB 1.064 33.592 32.500 0.047 0.000 0.978 3296 K HN 0.216 nan 8.250 nan 0.000 0.472 3297 L N 2.529 123.854 121.223 0.170 0.000 2.426 3297 L HA 0.221 4.562 4.340 0.001 0.000 0.255 3297 L C 0.621 177.612 176.870 0.202 0.000 1.080 3297 L CA 0.042 55.010 54.840 0.214 0.000 0.960 3297 L CB 0.220 42.487 42.059 0.347 0.000 1.326 3297 L HN 0.585 nan 8.230 nan 0.000 0.441 3298 S N 2.115 117.865 115.700 0.083 0.000 2.667 3298 S HA 0.785 5.256 4.470 0.001 0.000 0.292 3298 S C -0.432 174.216 174.600 0.081 0.000 1.108 3298 S CA -0.352 57.866 58.200 0.030 0.000 0.992 3298 S CB 1.207 64.289 63.200 -0.196 0.000 1.269 3298 S HN 0.285 nan 8.310 nan 0.000 0.528 3299 F N -0.421 119.424 119.950 -0.175 0.000 2.598 3299 F HA 0.838 5.366 4.527 0.001 0.000 0.327 3299 F C -0.116 175.477 175.800 -0.346 0.000 1.057 3299 F CA -0.947 56.793 58.000 -0.433 0.000 0.957 3299 F CB 1.611 39.974 39.000 -1.063 0.000 1.278 3299 F HN 0.350 nan 8.300 nan 0.000 0.484 3300 S N 1.353 116.978 115.700 -0.125 0.000 2.680 3300 S HA 0.383 4.854 4.470 0.001 0.000 0.140 3300 S C -1.583 173.199 174.600 0.302 0.000 1.357 3300 S CA -0.368 57.854 58.200 0.037 0.000 1.201 3300 S CB -0.628 62.586 63.200 0.024 0.000 1.547 3300 S HN 0.675 nan 8.310 nan 0.000 0.411 3301 Y N 0.450 120.957 120.300 0.345 0.000 2.432 3301 Y HA 0.619 5.169 4.550 0.001 0.000 0.322 3301 Y C 1.498 177.519 175.900 0.202 0.000 1.246 3301 Y CA -0.714 57.530 58.100 0.240 0.000 1.268 3301 Y CB 1.509 40.084 38.460 0.193 0.000 1.276 3301 Y HN 0.518 nan 8.280 nan 0.000 0.499 3302 G N 0.315 109.311 108.800 0.326 0.000 2.446 3302 G HA2 0.047 4.008 3.960 0.001 0.000 0.200 3302 G HA3 0.047 4.008 3.960 0.001 0.000 0.200 3302 G C 1.042 176.042 174.900 0.166 0.000 1.707 3302 G CA -0.276 44.955 45.100 0.217 0.000 0.697 3302 G HN 0.472 nan 8.290 nan 0.000 0.675 3303 R N 0.894 121.451 120.500 0.096 0.000 2.285 3303 R HA 0.091 4.432 4.340 0.001 0.000 0.213 3303 R C 2.388 178.710 176.300 0.036 0.000 1.068 3303 R CA 0.865 56.998 56.100 0.056 0.000 1.004 3303 R CB -0.089 30.218 30.300 0.012 0.000 0.873 3303 R HN 0.336 nan 8.270 nan 0.000 0.467 3304 A N -0.075 122.755 122.820 0.016 0.000 2.169 3304 A HA 0.050 4.370 4.320 0.001 0.000 0.212 3304 A C 1.801 179.436 177.584 0.085 0.000 1.153 3304 A CA 0.548 52.554 52.037 -0.053 0.000 0.756 3304 A CB 0.150 18.921 19.000 -0.381 0.000 0.813 3304 A HN 0.195 nan 8.150 nan 0.000 0.471 3305 L N -2.247 119.096 121.223 0.200 0.000 2.642 3305 L HA 0.107 4.447 4.340 0.001 0.000 0.233 3305 L C 2.046 179.120 176.870 0.340 0.000 1.077 3305 L CA 0.393 55.400 54.840 0.278 0.000 0.879 3305 L CB 0.182 42.483 42.059 0.404 0.000 1.151 3305 L HN 0.336 nan 8.230 nan 0.000 0.495 3306 Q N -0.519 119.436 119.800 0.257 0.000 2.281 3306 Q HA 0.218 4.558 4.340 0.001 0.000 0.215 3306 Q C 2.126 178.241 176.000 0.193 0.000 0.867 3306 Q CA 0.495 56.454 55.803 0.259 0.000 0.940 3306 Q CB 0.580 29.469 28.738 0.252 0.000 1.111 3306 Q HN 0.395 nan 8.270 nan 0.000 0.513 3307 A N 0.993 123.887 122.820 0.125 0.000 1.859 3307 A HA -0.247 4.074 4.320 0.001 0.000 0.217 3307 A C 2.197 179.830 177.584 0.083 0.000 1.198 3307 A CA 2.170 54.249 52.037 0.071 0.000 0.629 3307 A CB -0.722 18.301 19.000 0.038 0.000 0.830 3307 A HN 0.266 nan 8.150 nan 0.000 0.446 3308 S N -0.300 115.462 115.700 0.104 0.000 2.402 3308 S HA 0.030 4.500 4.470 0.001 0.000 0.229 3308 S C 2.248 176.942 174.600 0.157 0.000 1.021 3308 S CA 1.079 59.344 58.200 0.108 0.000 0.974 3308 S CB -0.473 62.785 63.200 0.098 0.000 0.800 3308 S HN 0.809 nan 8.310 nan 0.000 0.484 3309 A N 1.751 124.704 122.820 0.222 0.000 1.858 3309 A HA -0.016 4.305 4.320 0.001 0.000 0.216 3309 A C 2.121 179.924 177.584 0.365 0.000 1.190 3309 A CA 1.185 53.410 52.037 0.313 0.000 0.617 3309 A CB -0.885 18.334 19.000 0.364 0.000 0.827 3309 A HN 0.429 nan 8.150 nan 0.000 0.443 3310 L N -0.772 120.568 121.223 0.195 0.000 2.042 3310 L HA -0.264 4.077 4.340 0.001 0.000 0.210 3310 L C 3.126 180.056 176.870 0.100 0.000 1.076 3310 L CA 1.191 55.987 54.840 -0.073 0.000 0.749 3310 L CB -0.541 41.347 42.059 -0.285 0.000 0.893 3310 L HN 0.495 nan 8.230 nan 0.000 0.432 3311 A N -0.110 122.757 122.820 0.079 0.000 1.835 3311 A HA -0.220 4.101 4.320 0.001 0.000 0.215 3311 A C 2.484 180.121 177.584 0.090 0.000 1.199 3311 A CA 1.882 53.952 52.037 0.055 0.000 0.615 3311 A CB -0.997 18.027 19.000 0.039 0.000 0.838 3311 A HN 0.414 nan 8.150 nan 0.000 0.444 3312 A N -2.098 120.802 122.820 0.134 0.000 2.024 3312 A HA -0.183 4.138 4.320 0.001 0.000 0.220 3312 A C 1.915 179.622 177.584 0.204 0.000 1.164 3312 A CA 1.732 53.855 52.037 0.142 0.000 0.643 3312 A CB -0.808 18.283 19.000 0.150 0.000 0.806 3312 A HN 0.874 nan 8.150 nan 0.000 0.451 3313 W N 0.201 121.537 121.300 0.060 0.000 2.379 3313 W HA 0.113 4.773 4.660 0.001 0.000 0.307 3313 W C 1.656 178.187 176.519 0.021 0.000 1.200 3313 W CA 1.819 59.206 57.345 0.072 0.000 1.297 3313 W CB -0.667 28.878 29.460 0.141 0.000 1.140 3313 W HN 0.679 nan 8.180 nan 0.000 0.507 3314 G N -0.067 108.651 108.800 -0.137 0.000 2.233 3314 G HA2 -0.135 3.826 3.960 0.001 0.000 0.270 3314 G HA3 -0.135 3.826 3.960 0.001 0.000 0.270 3314 G C 1.193 175.690 174.900 -0.672 0.000 1.011 3314 G CA 1.067 45.975 45.100 -0.321 0.000 0.762 3314 G HN 1.528 nan 8.290 nan 0.000 0.511 3315 G N -1.652 106.259 108.800 -1.482 0.000 2.153 3315 G HA2 -0.265 3.696 3.960 0.001 0.000 0.252 3315 G HA3 -0.265 3.696 3.960 0.001 0.000 0.252 3315 G C 0.140 174.363 174.900 -1.129 0.000 0.994 3315 G CA 1.220 45.234 45.100 -1.810 0.000 0.698 3315 G HN 1.109 nan 8.290 nan 0.000 0.521 3316 K N -0.742 119.075 120.400 -0.971 0.000 2.397 3316 K HA 0.684 5.004 4.320 0.001 0.000 0.253 3316 K C 1.247 177.843 176.600 -0.007 0.000 0.932 3316 K CA -0.308 55.785 56.287 -0.323 0.000 0.795 3316 K CB 1.744 34.120 32.500 -0.207 0.000 1.159 3316 K HN 0.285 nan 8.250 nan 0.000 0.424 3317 A N 2.844 125.748 122.820 0.141 0.000 1.978 3317 A HA -0.226 4.095 4.320 0.001 0.000 0.220 3317 A C 1.815 179.494 177.584 0.159 0.000 1.170 3317 A CA 1.876 54.049 52.037 0.227 0.000 0.636 3317 A CB -0.548 18.548 19.000 0.161 0.000 0.810 3317 A HN 0.933 nan 8.150 nan 0.000 0.448 3318 E N -0.548 119.707 120.200 0.092 0.000 2.268 3318 E HA -0.159 4.192 4.350 0.001 0.000 0.195 3318 E C 0.896 177.549 176.600 0.090 0.000 0.995 3318 E CA 1.108 57.551 56.400 0.072 0.000 0.836 3318 E CB -0.339 29.383 29.700 0.037 0.000 0.763 3318 E HN 0.470 nan 8.360 nan 0.000 0.491 3319 N N 1.224 119.998 118.700 0.123 0.000 2.398 3319 N HA -0.033 4.707 4.740 0.001 0.000 0.188 3319 N C 1.208 176.848 175.510 0.217 0.000 1.122 3319 N CA 0.433 53.574 53.050 0.151 0.000 0.866 3319 N CB 0.137 38.709 38.487 0.140 0.000 0.970 3319 N HN 0.296 nan 8.380 nan 0.000 0.462 3320 K N 2.187 122.723 120.400 0.226 0.000 2.107 3320 K HA -0.279 4.041 4.320 0.001 0.000 0.211 3320 K C 1.783 178.450 176.600 0.112 0.000 1.049 3320 K CA 1.916 58.306 56.287 0.172 0.000 0.927 3320 K CB 0.084 32.657 32.500 0.121 0.000 0.714 3320 K HN 0.265 nan 8.250 nan 0.000 0.452 3321 K N -0.352 120.107 120.400 0.099 0.000 2.057 3321 K HA -0.093 4.228 4.320 0.001 0.000 0.207 3321 K C 2.031 178.684 176.600 0.089 0.000 1.049 3321 K CA 1.524 57.858 56.287 0.079 0.000 0.931 3321 K CB -0.391 32.148 32.500 0.066 0.000 0.714 3321 K HN 0.169 nan 8.250 nan 0.000 0.440 3322 A N 1.160 124.044 122.820 0.105 0.000 1.968 3322 A HA -0.064 4.256 4.320 0.001 0.000 0.217 3322 A C 2.199 179.865 177.584 0.137 0.000 1.169 3322 A CA 1.730 53.833 52.037 0.110 0.000 0.638 3322 A CB -1.015 18.050 19.000 0.108 0.000 0.812 3322 A HN 0.436 nan 8.150 nan 0.000 0.446 3323 T N 0.261 114.914 114.554 0.166 0.000 2.708 3323 T HA -0.181 4.169 4.350 0.001 0.000 0.266 3323 T C 2.034 176.804 174.700 0.117 0.000 1.037 3323 T CA 1.736 63.941 62.100 0.174 0.000 1.146 3323 T CB -0.288 68.678 68.868 0.163 0.000 0.865 3323 T HN 0.609 nan 8.240 nan 0.000 0.435 3324 Q N 0.332 120.180 119.800 0.081 0.000 2.167 3324 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 3324 Q C 2.319 178.410 176.000 0.151 0.000 0.970 3324 Q CA 1.076 56.944 55.803 0.108 0.000 0.855 3324 Q CB -0.085 28.695 28.738 0.070 0.000 0.911 3324 Q HN 0.589 nan 8.270 nan 0.000 0.438 3325 E N 0.343 120.612 120.200 0.114 0.000 2.152 3325 E HA -0.105 4.245 4.350 0.001 0.000 0.192 3325 E C 1.791 178.447 176.600 0.094 0.000 0.983 3325 E CA 0.807 57.261 56.400 0.090 0.000 0.818 3325 E CB 0.051 29.794 29.700 0.072 0.000 0.758 3325 E HN 0.336 nan 8.360 nan 0.000 0.467 3326 A N 0.257 123.153 122.820 0.128 0.000 1.929 3326 A HA -0.110 4.211 4.320 0.001 0.000 0.216 3326 A C 1.971 179.650 177.584 0.159 0.000 1.176 3326 A CA 0.902 53.017 52.037 0.129 0.000 0.628 3326 A CB -0.724 18.366 19.000 0.150 0.000 0.816 3326 A HN 0.509 nan 8.150 nan 0.000 0.444 3327 F N -0.075 119.897 119.950 0.036 0.000 2.084 3327 F HA -0.181 4.347 4.527 0.001 0.000 0.296 3327 F C 2.343 178.158 175.800 0.024 0.000 1.111 3327 F CA 1.739 59.755 58.000 0.027 0.000 1.224 3327 F CB -0.111 38.885 39.000 -0.007 0.000 0.991 3327 F HN 0.071 nan 8.300 nan 0.000 0.471 3328 M N 0.974 120.501 119.600 -0.122 0.000 2.082 3328 M HA -0.264 4.216 4.480 0.001 0.000 0.258 3328 M C 2.264 178.462 176.300 -0.170 0.000 1.069 3328 M CA 1.823 57.000 55.300 -0.205 0.000 1.102 3328 M CB -1.407 31.170 32.600 -0.038 0.000 1.336 3328 M HN 0.247 nan 8.290 nan 0.000 0.404 3329 K N 0.048 120.402 120.400 -0.077 0.000 2.009 3329 K HA -0.241 4.079 4.320 0.001 0.000 0.210 3329 K C 2.159 178.704 176.600 -0.090 0.000 1.049 3329 K CA 1.776 58.033 56.287 -0.049 0.000 0.929 3329 K CB -0.117 32.381 32.500 -0.002 0.000 0.714 3329 K HN 0.016 nan 8.250 nan 0.000 0.440 3330 R N 0.459 120.894 120.500 -0.108 0.000 2.083 3330 R HA -0.064 4.277 4.340 0.001 0.000 0.237 3330 R C 2.246 178.402 176.300 -0.239 0.000 1.137 3330 R CA 1.848 57.866 56.100 -0.136 0.000 0.951 3330 R CB -0.942 29.322 30.300 -0.061 0.000 0.851 3330 R HN 0.449 nan 8.270 nan 0.000 0.434 3331 A N -0.055 122.566 122.820 -0.331 0.000 1.940 3331 A HA -0.153 4.167 4.320 0.001 0.000 0.219 3331 A C 2.249 179.726 177.584 -0.178 0.000 1.176 3331 A CA 1.966 53.814 52.037 -0.315 0.000 0.631 3331 A CB -0.950 17.765 19.000 -0.476 0.000 0.814 3331 A HN 0.261 nan 8.150 nan 0.000 0.446 3332 V N -0.887 118.942 119.914 -0.140 0.000 2.323 3332 V HA -0.178 3.943 4.120 0.001 0.000 0.244 3332 V C 2.418 178.486 176.094 -0.044 0.000 1.041 3332 V CA 1.958 64.224 62.300 -0.058 0.000 1.025 3332 V CB -1.718 30.087 31.823 -0.030 0.000 0.656 3332 V HN 0.632 nan 8.190 nan 0.000 0.451 3333 V N -0.273 119.592 119.914 -0.082 0.000 2.343 3333 V HA -0.204 3.917 4.120 0.001 0.000 0.247 3333 V C 2.438 178.408 176.094 -0.206 0.000 1.051 3333 V CA 2.572 64.816 62.300 -0.094 0.000 1.036 3333 V CB -1.571 30.138 31.823 -0.191 0.000 0.654 3333 V HN 0.554 nan 8.190 nan 0.000 0.451 3334 N N -0.137 118.369 118.700 -0.324 0.000 2.309 3334 N HA -0.147 4.593 4.740 0.001 0.000 0.182 3334 N C 1.887 177.314 175.510 -0.139 0.000 1.018 3334 N CA 1.780 54.553 53.050 -0.461 0.000 0.876 3334 N CB -0.590 37.206 38.487 -1.152 0.000 0.972 3334 N HN 0.712 nan 8.380 nan 0.000 0.434 3335 C N 1.328 120.645 119.300 0.028 0.000 2.457 3335 C HA 0.007 4.468 4.460 0.001 0.000 0.278 3335 C C 2.553 177.619 174.990 0.127 0.000 1.309 3335 C CA 0.619 59.760 59.018 0.204 0.000 1.735 3335 C CB -0.763 27.067 27.740 0.149 0.000 1.992 3335 C HN 0.420 nan 8.230 nan 0.000 0.493 3336 Q N 0.524 120.379 119.800 0.092 0.000 2.046 3336 Q HA -0.091 4.249 4.340 0.001 0.000 0.200 3336 Q C 2.539 178.624 176.000 0.142 0.000 0.975 3336 Q CA 1.827 57.705 55.803 0.125 0.000 0.836 3336 Q CB -0.355 28.493 28.738 0.184 0.000 0.896 3336 Q HN 0.774 nan 8.270 nan 0.000 0.428 3337 A N 1.100 123.992 122.820 0.120 0.000 1.972 3337 A HA -0.102 4.218 4.320 0.001 0.000 0.219 3337 A C 2.234 179.894 177.584 0.126 0.000 1.169 3337 A CA 1.472 53.579 52.037 0.116 0.000 0.635 3337 A CB -0.668 18.334 19.000 0.003 0.000 0.810 3337 A HN 0.393 nan 8.150 nan 0.000 0.446 3338 A N 0.187 123.099 122.820 0.153 0.000 2.172 3338 A HA -0.066 4.254 4.320 0.001 0.000 0.216 3338 A C 1.732 179.393 177.584 0.128 0.000 1.154 3338 A CA 1.522 53.663 52.037 0.174 0.000 0.701 3338 A CB -0.368 18.761 19.000 0.215 0.000 0.789 3338 A HN 0.710 nan 8.150 nan 0.000 0.465 3339 K N -2.279 118.188 120.400 0.112 0.000 2.469 3339 K HA 0.411 4.731 4.320 0.001 0.000 0.204 3339 K C 0.658 177.308 176.600 0.084 0.000 1.047 3339 K CA 0.244 56.584 56.287 0.088 0.000 1.072 3339 K CB -0.214 32.330 32.500 0.072 0.000 0.863 3339 K HN 0.665 nan 8.250 nan 0.000 0.530 3340 G N 2.146 111.006 108.800 0.099 0.000 2.295 3340 G HA2 -0.295 3.666 3.960 0.001 0.000 0.287 3340 G HA3 -0.295 3.666 3.960 0.001 0.000 0.287 3340 G C -0.020 174.932 174.900 0.087 0.000 1.055 3340 G CA 0.513 45.669 45.100 0.093 0.000 0.922 3340 G HN 0.557 nan 8.290 nan 0.000 0.503 3341 Q N -1.532 118.333 119.800 0.108 0.000 2.084 3341 Q HA 0.254 4.594 4.340 0.001 0.000 0.230 3341 Q C -0.157 175.911 176.000 0.114 0.000 0.806 3341 Q CA -0.587 55.268 55.803 0.087 0.000 1.083 3341 Q CB 0.928 29.707 28.738 0.069 0.000 1.208 3341 Q HN 0.596 nan 8.270 nan 0.000 0.462 3342 Y N 0.922 121.243 120.300 0.034 0.000 2.383 3342 Y HA 0.369 4.919 4.550 0.001 0.000 0.344 3342 Y C -0.528 175.401 175.900 0.049 0.000 0.986 3342 Y CA -0.929 57.193 58.100 0.037 0.000 1.175 3342 Y CB 0.606 39.089 38.460 0.038 0.000 1.152 3342 Y HN -0.217 nan 8.280 nan 0.000 0.511 3343 V N 6.808 126.373 119.914 -0.582 0.000 2.546 3343 V HA 0.073 4.193 4.120 0.001 0.000 0.284 3343 V C -0.071 175.476 176.094 -0.911 0.000 1.050 3343 V CA -0.573 61.426 62.300 -0.501 0.000 0.981 3343 V CB 0.448 32.113 31.823 -0.264 0.000 0.990 3343 V HN 0.784 nan 8.190 nan 0.000 0.474 3344 H N 2.676 121.391 119.070 -0.592 0.000 2.610 3344 H HA 0.298 4.854 4.556 0.001 0.000 0.336 3344 H C 0.117 175.343 175.328 -0.169 0.000 1.087 3344 H CA -0.036 55.784 56.048 -0.380 0.000 1.405 3344 H CB 0.911 30.623 29.762 -0.083 0.000 1.460 3344 H HN 0.706 nan 8.280 nan 0.000 0.538 3345 T N 4.370 118.482 114.554 -0.735 0.000 2.737 3345 T HA 0.413 4.763 4.350 0.001 0.000 0.296 3345 T C 0.650 174.895 174.700 -0.758 0.000 0.922 3345 T CA 0.225 62.000 62.100 -0.541 0.000 1.079 3345 T CB 0.424 69.173 68.868 -0.198 0.000 0.892 3345 T HN 0.761 nan 8.240 nan 0.000 0.514 3346 G N 1.179 109.748 108.800 -0.385 0.000 4.412 3346 G HA2 0.311 4.272 3.960 0.001 0.000 0.262 3346 G HA3 0.311 4.272 3.960 0.001 0.000 0.262 3346 G C 0.653 175.505 174.900 -0.081 0.000 1.142 3346 G CA -0.375 44.607 45.100 -0.197 0.000 0.783 3346 G HN 0.631 nan 8.290 nan 0.000 0.533 3347 S N -0.010 115.650 115.700 -0.068 0.000 2.404 3347 S HA -0.014 4.457 4.470 0.001 0.000 0.223 3347 S C 2.587 177.177 174.600 -0.017 0.000 1.040 3347 S CA 1.529 59.707 58.200 -0.037 0.000 0.957 3347 S CB 0.159 63.339 63.200 -0.034 0.000 0.826 3347 S HN 0.362 nan 8.310 nan 0.000 0.491 3348 S N 0.891 116.585 115.700 -0.011 0.000 2.382 3348 S HA 0.067 4.537 4.470 0.001 0.000 0.228 3348 S C 1.933 176.540 174.600 0.012 0.000 1.027 3348 S CA 0.947 59.149 58.200 0.003 0.000 0.991 3348 S CB -1.154 62.051 63.200 0.010 0.000 0.823 3348 S HN 0.768 nan 8.310 nan 0.000 0.469 3349 G N 2.369 111.180 108.800 0.018 0.000 2.985 3349 G HA2 -0.440 3.521 3.960 0.001 0.000 0.362 3349 G HA3 -0.440 3.521 3.960 0.001 0.000 0.362 3349 G C 0.688 175.605 174.900 0.029 0.000 1.381 3349 G CA 0.892 46.010 45.100 0.031 0.000 1.360 3349 G HN 1.254 nan 8.290 nan 0.000 0.810 3350 A N 1.048 123.879 122.820 0.020 0.000 2.888 3350 A HA 0.547 4.868 4.320 0.001 0.000 0.290 3350 A C 0.856 178.449 177.584 0.016 0.000 1.736 3350 A CA 1.823 53.869 52.037 0.016 0.000 1.244 3350 A CB -1.438 17.568 19.000 0.010 0.000 0.973 3350 A HN 2.331 nan 8.150 nan 0.000 0.595 3351 A N 1.261 124.092 122.820 0.019 0.000 2.483 3351 A HA 0.845 5.166 4.320 0.001 0.000 0.306 3351 A C -0.242 177.352 177.584 0.018 0.000 1.137 3351 A CA 0.047 52.095 52.037 0.019 0.000 0.626 3351 A CB 0.229 19.244 19.000 0.025 0.000 1.352 3351 A HN 1.474 nan 8.150 nan 0.000 0.508 3352 S N 0.108 115.818 115.700 0.017 0.000 2.526 3352 S HA 0.663 5.134 4.470 0.001 0.000 0.293 3352 S C -0.204 174.407 174.600 0.017 0.000 1.092 3352 S CA -0.012 58.195 58.200 0.011 0.000 0.980 3352 S CB 1.219 64.418 63.200 -0.002 0.000 1.048 3352 S HN 1.585 nan 8.310 nan 0.000 0.483 3353 T N 0.500 115.062 114.554 0.014 0.000 2.888 3353 T HA 0.306 4.656 4.350 0.001 0.000 0.301 3353 T C 0.229 174.935 174.700 0.010 0.000 1.001 3353 T CA -0.385 61.728 62.100 0.021 0.000 1.147 3353 T CB 0.319 69.197 68.868 0.016 0.000 0.931 3353 T HN 0.753 nan 8.240 nan 0.000 0.541 3354 Q N 0.813 120.635 119.800 0.037 0.000 2.140 3354 Q HA 0.230 4.570 4.340 0.001 0.000 0.227 3354 Q C 0.362 176.406 176.000 0.073 0.000 0.798 3354 Q CA -0.372 55.440 55.803 0.016 0.000 0.987 3354 Q CB 0.515 29.296 28.738 0.072 0.000 1.161 3354 Q HN 0.660 nan 8.270 nan 0.000 0.480 3355 S N 1.571 117.335 115.700 0.107 0.000 3.806 3355 S HA 0.201 4.672 4.470 0.001 0.000 0.218 3355 S C -0.023 174.629 174.600 0.086 0.000 1.146 3355 S CA 0.271 58.555 58.200 0.139 0.000 1.030 3355 S CB -0.381 62.866 63.200 0.078 0.000 1.617 3355 S HN 0.347 nan 8.310 nan 0.000 0.487 3356 L N 1.832 123.096 121.223 0.069 0.000 2.462 3356 L HA 0.351 4.692 4.340 0.001 0.000 0.289 3356 L C -1.106 175.696 176.870 -0.114 0.000 1.351 3356 L CA -0.110 54.716 54.840 -0.023 0.000 0.643 3356 L CB 0.259 42.290 42.059 -0.046 0.000 0.950 3356 L HN 0.354 nan 8.230 nan 0.000 0.516 3357 F N -0.923 118.993 119.950 -0.057 0.000 2.380 3357 F HA 0.369 4.896 4.527 0.001 0.000 0.319 3357 F C 1.718 177.483 175.800 -0.059 0.000 1.113 3357 F CA -0.028 57.943 58.000 -0.048 0.000 1.056 3357 F CB 1.292 40.265 39.000 -0.045 0.000 1.289 3357 F HN -0.166 nan 8.300 nan 0.000 0.515 3358 T N 0.818 115.473 114.554 0.168 0.000 3.122 3358 T HA 0.306 4.656 4.350 0.001 0.000 0.250 3358 T C 0.189 174.938 174.700 0.082 0.000 1.067 3358 T CA 0.006 62.152 62.100 0.076 0.000 0.966 3358 T CB -0.296 68.602 68.868 0.049 0.000 1.002 3358 T HN 0.515 nan 8.240 nan 0.000 0.542 3359 A N 1.293 124.196 122.820 0.138 0.000 2.276 3359 A HA 0.754 5.074 4.320 0.001 0.000 0.300 3359 A C 0.198 177.779 177.584 -0.006 0.000 1.235 3359 A CA -0.286 51.781 52.037 0.049 0.000 0.867 3359 A CB 0.299 19.296 19.000 -0.005 0.000 1.137 3359 A HN 0.335 nan 8.150 nan 0.000 0.527 3360 S N 0.177 115.881 115.700 0.006 0.000 2.615 3360 S HA 0.347 4.817 4.470 0.001 0.000 0.272 3360 S C -0.970 173.689 174.600 0.097 0.000 1.112 3360 S CA -0.466 57.745 58.200 0.018 0.000 0.985 3360 S CB -0.130 63.057 63.200 -0.023 0.000 1.205 3360 S HN 0.973 nan 8.310 nan 0.000 0.469 3361 Y N 1.101 121.379 120.300 -0.037 0.000 3.310 3361 Y HA 0.746 5.297 4.550 0.001 0.000 0.309 3361 Y C -0.474 175.419 175.900 -0.010 0.000 1.629 3361 Y CA -0.298 57.792 58.100 -0.017 0.000 0.862 3361 Y CB 0.789 39.241 38.460 -0.013 0.000 1.296 3361 Y HN 0.687 nan 8.280 nan 0.000 0.737 3362 T N 1.479 115.780 114.554 -0.423 0.000 2.848 3362 T HA 0.487 4.837 4.350 0.001 0.000 0.285 3362 T C -1.879 172.875 174.700 0.091 0.000 0.995 3362 T CA -0.426 61.546 62.100 -0.214 0.000 0.970 3362 T CB 0.739 69.421 68.868 -0.310 0.000 0.976 3362 T HN 0.492 nan 8.240 nan 0.000 0.441 3363 Y N 0.000 120.272 120.300 -0.047 0.000 2.660 3363 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 3363 Y CA 0.000 58.093 58.100 -0.013 0.000 1.940 3363 Y CB 0.000 38.445 38.460 -0.026 0.000 1.050 3363 Y HN 0.000 nan 8.280 nan 0.000 0.758