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 3izj_1_G DATA FIRST_RESID 3079 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 3079 V HA 0.000 nan 4.120 nan 0.000 0.244 3079 V C 0.000 176.090 176.094 -0.007 0.000 1.182 3079 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 3079 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 3080 L N 2.642 123.859 121.223 -0.010 0.000 2.375 3080 L HA 0.475 4.815 4.340 0.000 0.000 0.271 3080 L C -2.075 174.789 176.870 -0.011 0.000 1.107 3080 L CA -1.503 53.331 54.840 -0.010 0.000 0.806 3080 L CB 0.354 42.404 42.059 -0.015 0.000 1.146 3080 L HN 0.137 nan 8.230 nan 0.000 0.447 3081 P HA 0.028 nan 4.420 nan 0.000 0.265 3081 P C -0.944 176.349 177.300 -0.012 0.000 1.187 3081 P CA -0.198 62.897 63.100 -0.008 0.000 0.766 3081 P CB 0.369 32.066 31.700 -0.004 0.000 0.820 3082 E N 2.813 123.006 120.200 -0.011 0.000 2.417 3082 E HA 0.075 4.425 4.350 0.000 0.000 0.261 3082 E C 0.587 177.179 176.600 -0.013 0.000 1.000 3082 E CA 0.593 56.984 56.400 -0.014 0.000 0.919 3082 E CB -0.050 29.643 29.700 -0.012 0.000 0.955 3082 E HN 0.347 nan 8.360 nan 0.000 0.455 3083 N N 0.594 119.283 118.700 -0.019 0.000 2.990 3083 N HA -0.178 4.563 4.740 0.000 0.000 0.163 3083 N C -0.214 175.284 175.510 -0.020 0.000 1.452 3083 N CA 0.524 53.564 53.050 -0.017 0.000 1.624 3083 N CB -1.038 37.443 38.487 -0.009 0.000 1.088 3083 N HN 0.552 nan 8.380 nan 0.000 0.695 3084 M N 3.013 122.600 119.600 -0.020 0.000 2.248 3084 M HA 0.045 4.525 4.480 0.000 0.000 0.345 3084 M C 0.327 176.598 176.300 -0.048 0.000 1.243 3084 M CA 0.413 55.700 55.300 -0.021 0.000 1.090 3084 M CB 0.458 33.049 32.600 -0.015 0.000 1.683 3084 M HN 0.100 nan 8.290 nan 0.000 0.450 3085 K N 5.163 125.530 120.400 -0.056 0.000 2.164 3085 K HA 0.599 4.919 4.320 0.000 0.000 0.258 3085 K C -1.123 175.372 176.600 -0.174 0.000 0.951 3085 K CA -0.958 55.245 56.287 -0.140 0.000 0.844 3085 K CB 2.026 34.447 32.500 -0.132 0.000 1.099 3085 K HN 0.792 nan 8.250 nan 0.000 0.435 3086 R N 2.652 122.962 120.500 -0.316 0.000 2.673 3086 R HA 0.306 4.646 4.340 0.000 0.000 0.281 3086 R C -1.656 174.363 176.300 -0.467 0.000 0.991 3086 R CA -0.670 55.279 56.100 -0.251 0.000 0.896 3086 R CB 1.318 31.552 30.300 -0.111 0.000 1.201 3086 R HN 0.735 nan 8.270 nan 0.000 0.457 3087 Y N 4.270 124.555 120.300 -0.026 0.000 2.429 3087 Y HA 0.546 5.096 4.550 0.000 0.000 0.342 3087 Y C 0.377 176.260 175.900 -0.028 0.000 1.004 3087 Y CA -0.875 57.205 58.100 -0.033 0.000 1.075 3087 Y CB 2.127 40.558 38.460 -0.048 0.000 1.214 3087 Y HN 0.389 nan 8.280 nan 0.000 0.455 3088 M N 1.083 120.746 119.600 0.105 0.000 2.465 3088 M HA 0.772 5.252 4.480 0.000 0.000 0.284 3088 M C 0.044 176.363 176.300 0.031 0.000 1.212 3088 M CA -0.297 55.032 55.300 0.048 0.000 0.910 3088 M CB 1.275 33.884 32.600 0.015 0.000 1.725 3088 M HN 0.835 nan 8.290 nan 0.000 0.477 3089 G N 3.240 112.046 108.800 0.011 0.000 2.591 3089 G HA2 -0.333 3.627 3.960 0.000 0.000 0.298 3089 G HA3 -0.333 3.627 3.960 0.000 0.000 0.298 3089 G C 0.563 175.457 174.900 -0.010 0.000 1.195 3089 G CA 0.829 45.923 45.100 -0.009 0.000 0.989 3089 G HN 0.944 nan 8.290 nan 0.000 0.551 3090 R N 0.751 121.243 120.500 -0.013 0.000 2.237 3090 R HA 0.050 4.390 4.340 0.000 0.000 0.219 3090 R C 1.962 178.264 176.300 0.004 0.000 1.080 3090 R CA 1.258 57.350 56.100 -0.014 0.000 0.995 3090 R CB -0.197 30.092 30.300 -0.017 0.000 0.875 3090 R HN 0.500 nan 8.270 nan 0.000 0.462 3091 D N 0.590 121.009 120.400 0.030 0.000 2.162 3091 D HA -0.040 4.601 4.640 0.000 0.000 0.203 3091 D C 1.801 178.155 176.300 0.090 0.000 0.967 3091 D CA 1.208 55.255 54.000 0.078 0.000 0.840 3091 D CB -0.119 40.750 40.800 0.115 0.000 0.972 3091 D HN 0.182 nan 8.370 nan 0.000 0.482 3092 A N 0.925 123.794 122.820 0.081 0.000 1.933 3092 A HA -0.184 4.136 4.320 0.000 0.000 0.218 3092 A C 2.077 179.630 177.584 -0.051 0.000 1.175 3092 A CA 1.199 53.259 52.037 0.039 0.000 0.628 3092 A CB -0.318 18.712 19.000 0.049 0.000 0.814 3092 A HN 0.083 nan 8.150 nan 0.000 0.444 3093 Q N -0.807 118.972 119.800 -0.035 0.000 2.123 3093 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 3093 Q C 2.216 178.181 176.000 -0.059 0.000 0.966 3093 Q CA 1.551 57.325 55.803 -0.047 0.000 0.845 3093 Q CB -0.384 28.332 28.738 -0.038 0.000 0.907 3093 Q HN 0.628 nan 8.270 nan 0.000 0.439 3094 R N 1.034 121.503 120.500 -0.051 0.000 2.083 3094 R HA -0.079 4.261 4.340 0.000 0.000 0.237 3094 R C 2.097 178.329 176.300 -0.113 0.000 1.137 3094 R CA 1.487 57.554 56.100 -0.055 0.000 0.951 3094 R CB -0.599 29.687 30.300 -0.023 0.000 0.851 3094 R HN 0.181 nan 8.270 nan 0.000 0.434 3095 M N 0.451 119.928 119.600 -0.206 0.000 2.132 3095 M HA -0.119 4.361 4.480 0.000 0.000 0.263 3095 M C 0.985 177.081 176.300 -0.340 0.000 1.065 3095 M CA 1.794 56.852 55.300 -0.403 0.000 1.122 3095 M CB -0.702 31.402 32.600 -0.827 0.000 1.365 3095 M HN 0.154 nan 8.290 nan 0.000 0.411 3096 N N 0.994 119.551 118.700 -0.239 0.000 2.166 3096 N HA -0.110 4.630 4.740 0.000 0.000 0.186 3096 N C 1.739 177.203 175.510 -0.078 0.000 1.019 3096 N CA 1.333 54.296 53.050 -0.145 0.000 0.856 3096 N CB -0.398 38.031 38.487 -0.096 0.000 0.993 3096 N HN 0.359 nan 8.380 nan 0.000 0.426 3097 I N 1.024 121.555 120.570 -0.065 0.000 2.252 3097 I HA -0.134 4.036 4.170 0.000 0.000 0.245 3097 I C 2.191 178.296 176.117 -0.020 0.000 1.102 3097 I CA 0.681 61.965 61.300 -0.027 0.000 1.385 3097 I CB -1.036 36.953 38.000 -0.019 0.000 1.064 3097 I HN 0.101 nan 8.210 nan 0.000 0.414 3098 L N 0.584 121.784 121.223 -0.038 0.000 2.083 3098 L HA -0.180 4.160 4.340 0.000 0.000 0.209 3098 L C 2.805 179.705 176.870 0.050 0.000 1.083 3098 L CA 1.242 56.079 54.840 -0.005 0.000 0.752 3098 L CB -0.633 41.413 42.059 -0.022 0.000 0.899 3098 L HN 0.183 nan 8.230 nan 0.000 0.433 3099 A N 0.317 123.166 122.820 0.049 0.000 1.858 3099 A HA -0.139 4.181 4.320 0.000 0.000 0.216 3099 A C 2.396 180.029 177.584 0.082 0.000 1.190 3099 A CA 1.867 54.014 52.037 0.183 0.000 0.617 3099 A CB -1.323 17.739 19.000 0.104 0.000 0.827 3099 A HN 0.424 nan 8.150 nan 0.000 0.443 3100 G N -0.912 107.909 108.800 0.035 0.000 2.408 3100 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 3100 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 3100 G C 1.700 176.608 174.900 0.013 0.000 1.150 3100 G CA 1.174 46.286 45.100 0.020 0.000 0.776 3100 G HN 0.514 nan 8.290 nan 0.000 0.542 3101 R N 0.515 121.023 120.500 0.013 0.000 2.081 3101 R HA 0.095 4.435 4.340 0.000 0.000 0.235 3101 R C 2.433 178.736 176.300 0.006 0.000 1.131 3101 R CA 1.126 57.230 56.100 0.006 0.000 0.960 3101 R CB -0.591 29.712 30.300 0.006 0.000 0.856 3101 R HN 0.427 nan 8.270 nan 0.000 0.436 3102 I N 0.070 120.649 120.570 0.016 0.000 2.202 3102 I HA -0.249 3.921 4.170 0.000 0.000 0.242 3102 I C 1.785 177.900 176.117 -0.005 0.000 1.091 3102 I CA 0.766 62.070 61.300 0.008 0.000 1.368 3102 I CB -0.266 37.744 38.000 0.016 0.000 1.058 3102 I HN 0.144 nan 8.210 nan 0.000 0.410 3103 I N 1.198 121.767 120.570 -0.002 0.000 2.163 3103 I HA -0.303 3.867 4.170 0.000 0.000 0.243 3103 I C 2.818 178.927 176.117 -0.013 0.000 1.085 3103 I CA 1.918 63.212 61.300 -0.010 0.000 1.347 3103 I CB -1.491 36.506 38.000 -0.005 0.000 1.044 3103 I HN 0.204 nan 8.210 nan 0.000 0.408 3104 A N 0.191 123.005 122.820 -0.010 0.000 1.930 3104 A HA -0.214 4.106 4.320 0.000 0.000 0.217 3104 A C 2.261 179.833 177.584 -0.019 0.000 1.175 3104 A CA 1.683 53.710 52.037 -0.016 0.000 0.627 3104 A CB -0.502 18.488 19.000 -0.017 0.000 0.815 3104 A HN 0.407 nan 8.150 nan 0.000 0.443 3105 E N 0.328 120.519 120.200 -0.015 0.000 2.110 3105 E HA -0.146 4.204 4.350 0.000 0.000 0.193 3105 E C 2.040 178.629 176.600 -0.018 0.000 0.988 3105 E CA 2.222 58.613 56.400 -0.016 0.000 0.804 3105 E CB -0.439 29.255 29.700 -0.011 0.000 0.745 3105 E HN 0.663 nan 8.360 nan 0.000 0.458 3106 T N -2.647 111.895 114.554 -0.019 0.000 2.976 3106 T HA 0.026 4.376 4.350 0.000 0.000 0.257 3106 T C 1.958 176.645 174.700 -0.022 0.000 1.051 3106 T CA 0.806 62.894 62.100 -0.021 0.000 1.141 3106 T CB -0.410 68.444 68.868 -0.023 0.000 0.881 3106 T HN 0.034 nan 8.240 nan 0.000 0.461 3107 V N 2.856 122.757 119.914 -0.021 0.000 2.788 3107 V HA 0.031 4.151 4.120 0.000 0.000 0.251 3107 V C 2.886 178.966 176.094 -0.024 0.000 1.068 3107 V CA 1.422 63.709 62.300 -0.022 0.000 1.090 3107 V CB -0.584 31.227 31.823 -0.020 0.000 0.710 3107 V HN 0.648 nan 8.190 nan 0.000 0.467 3108 R N 0.986 121.471 120.500 -0.026 0.000 2.200 3108 R HA -0.115 4.225 4.340 0.000 0.000 0.234 3108 R C 1.912 178.193 176.300 -0.031 0.000 1.127 3108 R CA 1.772 57.854 56.100 -0.030 0.000 0.989 3108 R CB -1.028 29.253 30.300 -0.031 0.000 0.869 3108 R HN 0.628 nan 8.270 nan 0.000 0.459 3109 S N 0.240 115.923 115.700 -0.029 0.000 2.595 3109 S HA -0.084 4.386 4.470 0.000 0.000 0.235 3109 S C 1.654 176.235 174.600 -0.031 0.000 0.974 3109 S CA 0.875 59.056 58.200 -0.031 0.000 0.942 3109 S CB -0.067 63.116 63.200 -0.028 0.000 0.766 3109 S HN 0.610 nan 8.310 nan 0.000 0.536 3110 T N -1.166 113.370 114.554 -0.029 0.000 3.037 3110 T HA 0.311 4.661 4.350 0.000 0.000 0.251 3110 T C 0.421 175.103 174.700 -0.030 0.000 1.079 3110 T CA -0.475 61.608 62.100 -0.027 0.000 1.067 3110 T CB -0.468 68.387 68.868 -0.022 0.000 0.948 3110 T HN 0.276 nan 8.240 nan 0.000 0.496 3111 L N 2.897 124.099 121.223 -0.034 0.000 2.462 3111 L HA 0.516 4.856 4.340 0.000 0.000 0.272 3111 L C 0.703 177.546 176.870 -0.046 0.000 1.166 3111 L CA 1.617 56.435 54.840 -0.036 0.000 0.880 3111 L CB -0.670 41.367 42.059 -0.038 0.000 1.142 3111 L HN 0.735 nan 8.230 nan 0.000 0.473 3112 G N 4.038 112.813 108.800 -0.042 0.000 2.663 3112 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 3112 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 3112 G C -2.098 172.761 174.900 -0.068 0.000 1.288 3112 G CA -0.459 44.606 45.100 -0.058 0.000 0.836 3112 G HN 0.482 nan 8.290 nan 0.000 0.584 3113 P HA -0.016 nan 4.420 nan 0.000 0.218 3113 P C 1.408 178.614 177.300 -0.157 0.000 1.148 3113 P CA 1.495 64.525 63.100 -0.118 0.000 0.822 3113 P CB 0.047 31.577 31.700 -0.283 0.000 0.784 3114 K N -0.691 119.590 120.400 -0.198 0.000 2.446 3114 K HA 0.257 4.577 4.320 0.000 0.000 0.203 3114 K C 0.951 177.497 176.600 -0.090 0.000 1.027 3114 K CA -0.189 56.006 56.287 -0.152 0.000 1.166 3114 K CB -0.374 32.016 32.500 -0.183 0.000 0.869 3114 K HN 0.035 nan 8.250 nan 0.000 0.504 3115 G N 0.377 109.134 108.800 -0.072 0.000 2.569 3115 G HA2 0.222 4.182 3.960 0.000 0.000 0.249 3115 G HA3 0.222 4.182 3.960 0.000 0.000 0.249 3115 G C -0.017 174.860 174.900 -0.038 0.000 1.216 3115 G CA -0.432 44.638 45.100 -0.050 0.000 0.845 3115 G HN -0.029 nan 8.290 nan 0.000 0.568 3116 M N -0.047 119.533 119.600 -0.033 0.000 2.705 3116 M HA 0.408 4.889 4.480 0.000 0.000 0.272 3116 M C -0.690 175.596 176.300 -0.024 0.000 1.172 3116 M CA -0.512 54.771 55.300 -0.027 0.000 0.901 3116 M CB 1.402 33.986 32.600 -0.028 0.000 1.516 3116 M HN 0.389 nan 8.290 nan 0.000 0.530 3117 D N -0.221 120.165 120.400 -0.024 0.000 2.269 3117 D HA 0.474 5.114 4.640 0.000 0.000 0.244 3117 D C -0.977 175.307 176.300 -0.026 0.000 0.992 3117 D CA -0.370 53.615 54.000 -0.024 0.000 0.894 3117 D CB 1.413 42.198 40.800 -0.025 0.000 1.248 3117 D HN 0.098 nan 8.370 nan 0.000 0.468 3118 K N 0.740 121.124 120.400 -0.025 0.000 2.123 3118 K HA 0.612 4.932 4.320 0.000 0.000 0.248 3118 K C -0.807 175.775 176.600 -0.030 0.000 0.969 3118 K CA -0.519 55.752 56.287 -0.026 0.000 0.882 3118 K CB 1.316 33.802 32.500 -0.023 0.000 1.080 3118 K HN 0.364 nan 8.250 nan 0.000 0.441 3119 M N 3.305 122.886 119.600 -0.031 0.000 2.022 3119 M HA 0.328 4.808 4.480 0.000 0.000 0.298 3119 M C -1.706 174.577 176.300 -0.028 0.000 0.909 3119 M CA -0.917 54.361 55.300 -0.036 0.000 0.914 3119 M CB 0.569 33.144 32.600 -0.042 0.000 1.486 3119 M HN 0.308 nan 8.290 nan 0.000 0.415 3120 L N 5.059 126.267 121.223 -0.023 0.000 2.275 3120 L HA 0.563 4.903 4.340 0.000 0.000 0.288 3120 L C -0.681 176.181 176.870 -0.013 0.000 1.046 3120 L CA -0.322 54.507 54.840 -0.017 0.000 0.805 3120 L CB 1.740 43.791 42.059 -0.014 0.000 1.193 3120 L HN 0.360 nan 8.230 nan 0.000 0.426 3121 V N 2.579 122.486 119.914 -0.012 0.000 2.409 3121 V HA 0.349 4.469 4.120 0.000 0.000 0.291 3121 V C -0.058 176.032 176.094 -0.005 0.000 1.020 3121 V CA -0.856 61.439 62.300 -0.008 0.000 0.848 3121 V CB 1.566 33.384 31.823 -0.009 0.000 0.990 3121 V HN 0.633 nan 8.190 nan 0.000 0.430 3122 D N 2.503 122.902 120.400 -0.001 0.000 2.384 3122 D HA 0.046 4.686 4.640 0.000 0.000 0.244 3122 D C 1.021 177.320 176.300 -0.001 0.000 1.251 3122 D CA -0.115 53.885 54.000 -0.001 0.000 0.961 3122 D CB 1.275 42.077 40.800 0.002 0.000 1.116 3122 D HN 0.704 nan 8.370 nan 0.000 0.484 3123 D N -0.479 119.921 120.400 -0.001 0.000 2.263 3123 D HA -0.116 4.524 4.640 0.000 0.000 0.208 3123 D C 1.530 177.831 176.300 0.001 0.000 0.971 3123 D CA 0.832 54.832 54.000 -0.001 0.000 0.867 3123 D CB 0.116 40.916 40.800 -0.001 0.000 0.929 3123 D HN 0.118 nan 8.370 nan 0.000 0.492 3124 L N -1.169 120.055 121.223 0.002 0.000 2.509 3124 L HA 0.344 4.684 4.340 0.000 0.000 0.222 3124 L C 2.047 178.920 176.870 0.005 0.000 1.123 3124 L CA 0.997 55.839 54.840 0.003 0.000 0.856 3124 L CB 0.134 42.196 42.059 0.004 0.000 0.985 3124 L HN 0.268 nan 8.230 nan 0.000 0.456 3125 G N -1.539 107.263 108.800 0.004 0.000 2.201 3125 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 3125 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 3125 G C 0.281 175.187 174.900 0.009 0.000 0.994 3125 G CA 0.069 45.172 45.100 0.006 0.000 0.644 3125 G HN 0.317 nan 8.290 nan 0.000 0.508 3126 D N 1.194 121.600 120.400 0.011 0.000 2.487 3126 D HA 0.355 4.995 4.640 0.000 0.000 0.243 3126 D C 0.459 176.770 176.300 0.017 0.000 1.154 3126 D CA 0.390 54.401 54.000 0.018 0.000 0.876 3126 D CB 1.057 41.867 40.800 0.017 0.000 1.161 3126 D HN 0.257 nan 8.370 nan 0.000 0.478 3127 V N 4.938 124.868 119.914 0.027 0.000 2.398 3127 V HA 0.378 4.498 4.120 0.000 0.000 0.286 3127 V C 0.114 176.223 176.094 0.026 0.000 1.026 3127 V CA -0.827 61.481 62.300 0.014 0.000 0.868 3127 V CB 1.685 33.509 31.823 0.002 0.000 0.982 3127 V HN 0.401 nan 8.190 nan 0.000 0.443 3128 V N 6.413 126.329 119.914 0.004 0.000 2.656 3128 V HA 0.675 4.795 4.120 0.000 0.000 0.307 3128 V C -0.775 175.304 176.094 -0.025 0.000 1.051 3128 V CA -0.294 62.011 62.300 0.009 0.000 0.893 3128 V CB 2.341 34.173 31.823 0.016 0.000 0.999 3128 V HN 0.622 nan 8.190 nan 0.000 0.426 3129 V N 5.812 125.703 119.914 -0.038 0.000 2.409 3129 V HA 0.781 4.901 4.120 0.000 0.000 0.291 3129 V C 0.014 176.095 176.094 -0.021 0.000 1.020 3129 V CA -0.086 62.181 62.300 -0.054 0.000 0.848 3129 V CB 1.555 33.313 31.823 -0.108 0.000 0.990 3129 V HN 1.038 nan 8.190 nan 0.000 0.430 3130 T N 2.547 117.090 114.554 -0.018 0.000 2.802 3130 T HA 0.323 4.673 4.350 0.000 0.000 0.311 3130 T C 0.080 174.773 174.700 -0.012 0.000 1.405 3130 T CA -0.378 61.717 62.100 -0.008 0.000 1.016 3130 T CB 2.029 70.896 68.868 -0.002 0.000 1.352 3130 T HN 0.661 nan 8.240 nan 0.000 0.498 3131 N N 1.182 119.877 118.700 -0.008 0.000 2.210 3131 N HA 0.074 4.814 4.740 0.000 0.000 0.203 3131 N C -0.314 175.191 175.510 -0.008 0.000 1.175 3131 N CA -0.006 53.038 53.050 -0.010 0.000 0.894 3131 N CB 0.476 38.959 38.487 -0.008 0.000 1.041 3131 N HN 0.691 nan 8.380 nan 0.000 0.506 3132 D N -0.057 120.340 120.400 -0.005 0.000 2.371 3132 D HA 0.202 4.842 4.640 0.000 0.000 0.256 3132 D C 1.485 177.781 176.300 -0.007 0.000 1.193 3132 D CA 0.206 54.204 54.000 -0.004 0.000 0.881 3132 D CB 1.038 41.838 40.800 -0.001 0.000 1.143 3132 D HN 0.263 nan 8.370 nan 0.000 0.473 3133 G N 2.653 111.448 108.800 -0.008 0.000 2.440 3133 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 3133 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 3133 G C 1.532 176.427 174.900 -0.008 0.000 1.154 3133 G CA 0.758 45.852 45.100 -0.010 0.000 0.767 3133 G HN 0.490 nan 8.290 nan 0.000 0.552 3134 V N 0.839 120.750 119.914 -0.005 0.000 2.261 3134 V HA -0.185 3.935 4.120 0.000 0.000 0.246 3134 V C 3.185 179.277 176.094 -0.004 0.000 1.047 3134 V CA 2.422 64.719 62.300 -0.004 0.000 1.015 3134 V CB -0.913 30.908 31.823 -0.002 0.000 0.642 3134 V HN 0.408 nan 8.190 nan 0.000 0.446 3135 T N 0.310 114.862 114.554 -0.003 0.000 2.684 3135 T HA -0.169 4.181 4.350 0.000 0.000 0.267 3135 T C 1.805 176.502 174.700 -0.005 0.000 1.036 3135 T CA 1.917 64.016 62.100 -0.002 0.000 1.148 3135 T CB -0.315 68.553 68.868 -0.000 0.000 0.863 3135 T HN 0.339 nan 8.240 nan 0.000 0.436 3136 I N 0.319 120.885 120.570 -0.007 0.000 2.179 3136 I HA -0.148 4.022 4.170 0.000 0.000 0.242 3136 I C 2.100 178.209 176.117 -0.012 0.000 1.088 3136 I CA 1.000 62.294 61.300 -0.011 0.000 1.357 3136 I CB -0.281 37.711 38.000 -0.013 0.000 1.051 3136 I HN 0.160 nan 8.210 nan 0.000 0.409 3137 L N 0.113 121.329 121.223 -0.010 0.000 2.109 3137 L HA -0.089 4.251 4.340 0.000 0.000 0.207 3137 L C 2.501 179.366 176.870 -0.008 0.000 1.086 3137 L CA 1.505 56.338 54.840 -0.011 0.000 0.760 3137 L CB -0.945 41.109 42.059 -0.008 0.000 0.910 3137 L HN 0.147 nan 8.230 nan 0.000 0.437 3138 R N -0.142 120.354 120.500 -0.006 0.000 2.075 3138 R HA -0.107 4.233 4.340 0.000 0.000 0.232 3138 R C 1.891 178.188 176.300 -0.005 0.000 1.126 3138 R CA 1.237 57.335 56.100 -0.004 0.000 0.963 3138 R CB 0.093 30.392 30.300 -0.002 0.000 0.858 3138 R HN 0.337 nan 8.270 nan 0.000 0.435 3139 E N 0.886 121.082 120.200 -0.006 0.000 2.086 3139 E HA -0.052 4.298 4.350 0.000 0.000 0.190 3139 E C 1.282 177.876 176.600 -0.009 0.000 0.975 3139 E CA 0.467 56.864 56.400 -0.006 0.000 0.813 3139 E CB -0.358 29.339 29.700 -0.004 0.000 0.768 3139 E HN 0.448 nan 8.360 nan 0.000 0.457 3140 M N -0.022 119.570 119.600 -0.013 0.000 2.240 3140 M HA 0.102 4.582 4.480 0.000 0.000 0.317 3140 M C 0.499 176.787 176.300 -0.020 0.000 1.087 3140 M CA 0.331 55.620 55.300 -0.018 0.000 1.176 3140 M CB 0.570 33.156 32.600 -0.024 0.000 1.439 3140 M HN -0.260 nan 8.290 nan 0.000 0.452 3141 S N 2.317 118.002 115.700 -0.025 0.000 2.473 3141 S HA 0.430 4.900 4.470 0.000 0.000 0.312 3141 S C -0.652 173.924 174.600 -0.041 0.000 1.087 3141 S CA -0.801 57.384 58.200 -0.026 0.000 1.077 3141 S CB -0.237 62.950 63.200 -0.022 0.000 1.065 3141 S HN 0.521 nan 8.310 nan 0.000 0.510 3142 V N 5.071 124.963 119.914 -0.036 0.000 2.546 3142 V HA 0.332 4.452 4.120 0.000 0.000 0.284 3142 V C 1.118 177.188 176.094 -0.041 0.000 1.050 3142 V CA -0.228 62.041 62.300 -0.051 0.000 0.981 3142 V CB 1.511 33.316 31.823 -0.031 0.000 0.990 3142 V HN 0.913 nan 8.190 nan 0.000 0.474 3143 E N 2.479 122.634 120.200 -0.076 0.000 2.256 3143 E HA 0.075 4.425 4.350 0.000 0.000 0.198 3143 E C 0.580 177.228 176.600 0.080 0.000 0.908 3143 E CA 0.435 56.824 56.400 -0.019 0.000 0.915 3143 E CB 0.121 29.793 29.700 -0.046 0.000 0.890 3143 E HN 0.821 nan 8.360 nan 0.000 0.484 3144 H N 1.020 120.076 119.070 -0.023 0.000 2.848 3144 H HA 0.065 4.621 4.556 -0.000 0.000 0.317 3144 H C -1.753 173.554 175.328 -0.035 0.000 1.046 3144 H CA -1.629 54.391 56.048 -0.046 0.000 1.470 3144 H CB 1.367 31.088 29.762 -0.069 0.000 1.483 3144 H HN 0.156 nan 8.280 nan 0.000 0.548 3145 P HA -0.200 nan 4.420 nan 0.000 0.215 3145 P C 1.266 178.581 177.300 0.024 0.000 1.153 3145 P CA 1.502 64.624 63.100 0.036 0.000 0.853 3145 P CB 0.215 31.925 31.700 0.018 0.000 0.788 3146 A N -0.022 122.802 122.820 0.007 0.000 1.930 3146 A HA -0.073 4.247 4.320 0.000 0.000 0.217 3146 A C 2.315 179.914 177.584 0.024 0.000 1.175 3146 A CA 1.932 53.970 52.037 0.001 0.000 0.627 3146 A CB -1.566 17.415 19.000 -0.032 0.000 0.815 3146 A HN 0.188 nan 8.150 nan 0.000 0.443 3147 A N 0.075 122.926 122.820 0.052 0.000 1.933 3147 A HA -0.163 4.157 4.320 0.000 0.000 0.218 3147 A C 2.052 179.650 177.584 0.023 0.000 1.175 3147 A CA 1.754 53.815 52.037 0.041 0.000 0.628 3147 A CB -0.424 18.604 19.000 0.047 0.000 0.814 3147 A HN 0.553 nan 8.150 nan 0.000 0.444 3148 K N -0.954 119.462 120.400 0.026 0.000 2.209 3148 K HA -0.055 4.265 4.320 0.000 0.000 0.204 3148 K C 1.820 178.429 176.600 0.015 0.000 1.048 3148 K CA 1.208 57.505 56.287 0.017 0.000 0.940 3148 K CB -0.189 32.323 32.500 0.020 0.000 0.729 3148 K HN 0.387 nan 8.250 nan 0.000 0.451 3149 M N 0.377 119.987 119.600 0.016 0.000 2.236 3149 M HA -0.041 4.439 4.480 0.000 0.000 0.266 3149 M C 2.177 178.486 176.300 0.014 0.000 1.070 3149 M CA 1.138 56.447 55.300 0.015 0.000 1.137 3149 M CB -0.663 31.946 32.600 0.015 0.000 1.378 3149 M HN 0.176 nan 8.290 nan 0.000 0.426 3150 L N 0.327 121.558 121.223 0.014 0.000 2.131 3150 L HA -0.196 4.144 4.340 0.000 0.000 0.210 3150 L C 2.249 179.124 176.870 0.008 0.000 1.092 3150 L CA 0.884 55.731 54.840 0.012 0.000 0.759 3150 L CB -0.219 41.846 42.059 0.011 0.000 0.903 3150 L HN 0.187 nan 8.230 nan 0.000 0.435 3151 I N -0.240 120.334 120.570 0.007 0.000 2.248 3151 I HA -0.350 3.820 4.170 0.000 0.000 0.248 3151 I C 2.376 178.496 176.117 0.005 0.000 1.107 3151 I CA 1.330 62.633 61.300 0.004 0.000 1.373 3151 I CB -0.212 37.790 38.000 0.003 0.000 1.055 3151 I HN 0.305 nan 8.210 nan 0.000 0.418 3152 E N 0.599 120.803 120.200 0.007 0.000 2.153 3152 E HA -0.153 4.197 4.350 0.000 0.000 0.194 3152 E C 2.135 178.740 176.600 0.008 0.000 0.988 3152 E CA 0.963 57.368 56.400 0.008 0.000 0.811 3152 E CB 0.003 29.709 29.700 0.010 0.000 0.746 3152 E HN 0.265 nan 8.360 nan 0.000 0.466 3153 V N 0.557 120.476 119.914 0.009 0.000 2.295 3153 V HA -0.287 3.833 4.120 0.000 0.000 0.246 3153 V C 2.304 178.400 176.094 0.004 0.000 1.049 3153 V CA 1.891 64.197 62.300 0.009 0.000 1.024 3153 V CB -0.894 30.935 31.823 0.010 0.000 0.648 3153 V HN 0.444 nan 8.190 nan 0.000 0.447 3154 A N -0.494 122.328 122.820 0.002 0.000 1.972 3154 A HA -0.220 4.100 4.320 0.000 0.000 0.219 3154 A C 2.280 179.864 177.584 0.000 0.000 1.169 3154 A CA 1.844 53.881 52.037 -0.001 0.000 0.635 3154 A CB -0.403 18.596 19.000 -0.002 0.000 0.810 3154 A HN 0.557 nan 8.150 nan 0.000 0.446 3155 K N -0.534 119.867 120.400 0.002 0.000 2.097 3155 K HA -0.101 4.219 4.320 0.000 0.000 0.205 3155 K C 2.188 178.789 176.600 0.002 0.000 1.050 3155 K CA 1.726 58.014 56.287 0.002 0.000 0.938 3155 K CB -0.304 32.198 32.500 0.003 0.000 0.718 3155 K HN 0.729 nan 8.250 nan 0.000 0.442 3156 T N -1.303 113.254 114.554 0.004 0.000 2.951 3156 T HA -0.138 4.213 4.350 0.000 0.000 0.268 3156 T C 1.985 176.687 174.700 0.003 0.000 1.073 3156 T CA 0.816 62.918 62.100 0.004 0.000 1.134 3156 T CB -0.001 68.870 68.868 0.006 0.000 0.884 3156 T HN 0.034 nan 8.240 nan 0.000 0.479 3157 Q N 1.210 121.011 119.800 0.002 0.000 2.079 3157 Q HA -0.068 4.272 4.340 0.000 0.000 0.200 3157 Q C 2.439 178.439 176.000 0.001 0.000 0.974 3157 Q CA 1.452 57.256 55.803 0.001 0.000 0.840 3157 Q CB -0.398 28.340 28.738 -0.000 0.000 0.898 3157 Q HN 0.523 nan 8.270 nan 0.000 0.430 3158 E N -0.085 120.115 120.200 0.000 0.000 2.085 3158 E HA -0.205 4.145 4.350 0.000 0.000 0.194 3158 E C 1.614 178.214 176.600 -0.000 0.000 0.994 3158 E CA 1.151 57.550 56.400 -0.000 0.000 0.801 3158 E CB 0.157 29.857 29.700 -0.001 0.000 0.743 3158 E HN 0.233 nan 8.360 nan 0.000 0.453 3159 K N 0.379 120.779 120.400 0.000 0.000 2.031 3159 K HA -0.133 4.187 4.320 0.000 0.000 0.205 3159 K C 2.129 178.729 176.600 0.000 0.000 1.049 3159 K CA 1.072 57.359 56.287 -0.000 0.000 0.939 3159 K CB -0.281 32.220 32.500 0.000 0.000 0.717 3159 K HN 0.051 nan 8.250 nan 0.000 0.438 3160 E N 0.838 121.039 120.200 0.001 0.000 2.076 3160 E HA -0.107 4.243 4.350 0.000 0.000 0.190 3160 E C 1.719 178.320 176.600 0.001 0.000 0.979 3160 E CA 1.299 57.700 56.400 0.001 0.000 0.807 3160 E CB 0.285 29.987 29.700 0.002 0.000 0.761 3160 E HN 0.089 nan 8.360 nan 0.000 0.454 3161 V N -4.934 114.981 119.914 0.001 0.000 3.473 3161 V HA 0.584 4.704 4.120 0.000 0.000 0.253 3161 V C 1.484 177.579 176.094 0.001 0.000 1.340 3161 V CA 0.849 63.150 62.300 0.001 0.000 1.103 3161 V CB 0.450 32.274 31.823 0.002 0.000 0.881 3161 V HN 0.340 nan 8.190 nan 0.000 0.451 3162 G N 0.687 109.487 108.800 0.000 0.000 3.586 3162 G HA2 -0.265 3.695 3.960 0.000 0.000 0.212 3162 G HA3 -0.265 3.695 3.960 0.000 0.000 0.212 3162 G C 0.166 175.067 174.900 0.001 0.000 1.411 3162 G CA 0.468 45.569 45.100 0.000 0.000 0.898 3162 G HN 0.654 nan 8.290 nan 0.000 0.575 3163 D N 1.167 121.569 120.400 0.002 0.000 2.478 3163 D HA 0.480 5.120 4.640 0.000 0.000 0.269 3163 D C 1.538 177.838 176.300 0.000 0.000 1.232 3163 D CA 1.219 55.220 54.000 0.002 0.000 1.059 3163 D CB 0.616 41.419 40.800 0.005 0.000 1.104 3163 D HN 1.611 nan 8.370 nan 0.000 0.566 3164 G N -0.344 108.456 108.800 -0.001 0.000 2.153 3164 G HA2 -0.326 3.634 3.960 0.000 0.000 0.252 3164 G HA3 -0.326 3.634 3.960 0.000 0.000 0.252 3164 G C 1.037 175.932 174.900 -0.008 0.000 0.994 3164 G CA 1.516 46.613 45.100 -0.005 0.000 0.698 3164 G HN 0.584 nan 8.290 nan 0.000 0.521 3165 T N -2.947 111.604 114.554 -0.006 0.000 2.746 3165 T HA -0.113 4.237 4.350 0.000 0.000 0.267 3165 T C 2.215 176.909 174.700 -0.010 0.000 1.039 3165 T CA 2.421 64.517 62.100 -0.007 0.000 1.142 3165 T CB -0.565 68.300 68.868 -0.005 0.000 0.866 3165 T HN 0.308 nan 8.240 nan 0.000 0.444 3166 T N 2.007 116.554 114.554 -0.013 0.000 2.737 3166 T HA -0.087 4.263 4.350 0.000 0.000 0.265 3166 T C 2.280 176.967 174.700 -0.022 0.000 1.038 3166 T CA 1.817 63.907 62.100 -0.017 0.000 1.144 3166 T CB -0.989 67.868 68.868 -0.019 0.000 0.866 3166 T HN 0.518 nan 8.240 nan 0.000 0.434 3167 T N 2.233 116.774 114.554 -0.022 0.000 2.665 3167 T HA -0.136 4.214 4.350 0.000 0.000 0.268 3167 T C 2.371 177.052 174.700 -0.032 0.000 1.035 3167 T CA 1.335 63.418 62.100 -0.029 0.000 1.151 3167 T CB -0.631 68.222 68.868 -0.025 0.000 0.862 3167 T HN 0.447 nan 8.240 nan 0.000 0.438 3168 A N 0.759 123.565 122.820 -0.023 0.000 1.940 3168 A HA -0.057 4.263 4.320 0.000 0.000 0.219 3168 A C 2.592 180.162 177.584 -0.023 0.000 1.176 3168 A CA 1.456 53.480 52.037 -0.021 0.000 0.631 3168 A CB -0.910 18.084 19.000 -0.011 0.000 0.814 3168 A HN 0.386 nan 8.150 nan 0.000 0.446 3169 V N -0.653 119.248 119.914 -0.020 0.000 2.379 3169 V HA -0.178 3.942 4.120 0.000 0.000 0.245 3169 V C 2.552 178.629 176.094 -0.028 0.000 1.044 3169 V CA 1.734 64.023 62.300 -0.019 0.000 1.036 3169 V CB -0.629 31.185 31.823 -0.015 0.000 0.664 3169 V HN 0.363 nan 8.190 nan 0.000 0.453 3170 V N -0.449 119.444 119.914 -0.034 0.000 2.295 3170 V HA -0.218 3.902 4.120 0.000 0.000 0.246 3170 V C 2.465 178.523 176.094 -0.059 0.000 1.049 3170 V CA 2.128 64.403 62.300 -0.043 0.000 1.024 3170 V CB -0.376 31.420 31.823 -0.044 0.000 0.648 3170 V HN 0.425 nan 8.190 nan 0.000 0.447 3171 V N -0.018 119.852 119.914 -0.072 0.000 2.515 3171 V HA -0.183 3.937 4.120 0.000 0.000 0.250 3171 V C 2.526 178.549 176.094 -0.118 0.000 1.058 3171 V CA 1.998 64.231 62.300 -0.112 0.000 1.064 3171 V CB -0.278 31.471 31.823 -0.124 0.000 0.675 3171 V HN 0.522 nan 8.190 nan 0.000 0.461 3172 A N -0.136 122.641 122.820 -0.071 0.000 1.898 3172 A HA 0.003 4.323 4.320 0.000 0.000 0.216 3172 A C 2.342 179.910 177.584 -0.027 0.000 1.181 3172 A CA 1.704 53.717 52.037 -0.041 0.000 0.620 3172 A CB -1.233 17.760 19.000 -0.012 0.000 0.819 3172 A HN 0.600 nan 8.150 nan 0.000 0.442 3173 G N -0.495 108.288 108.800 -0.029 0.000 2.408 3173 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 3173 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 3173 G C 1.461 176.347 174.900 -0.024 0.000 1.150 3173 G CA 1.285 46.375 45.100 -0.018 0.000 0.776 3173 G HN 0.583 nan 8.290 nan 0.000 0.542 3174 E N 0.249 120.419 120.200 -0.051 0.000 2.107 3174 E HA 0.040 4.391 4.350 0.000 0.000 0.191 3174 E C 2.454 179.013 176.600 -0.067 0.000 0.982 3174 E CA 0.433 56.795 56.400 -0.063 0.000 0.809 3174 E CB -0.350 29.294 29.700 -0.093 0.000 0.756 3174 E HN 0.416 nan 8.360 nan 0.000 0.459 3175 L N 0.031 121.194 121.223 -0.100 0.000 2.083 3175 L HA -0.159 4.181 4.340 0.000 0.000 0.209 3175 L C 2.371 179.304 176.870 0.104 0.000 1.083 3175 L CA 0.946 55.728 54.840 -0.096 0.000 0.752 3175 L CB -0.335 41.618 42.059 -0.176 0.000 0.899 3175 L HN 0.249 nan 8.230 nan 0.000 0.433 3176 L N -0.864 120.406 121.223 0.077 0.000 2.156 3176 L HA -0.166 4.174 4.340 0.000 0.000 0.208 3176 L C 2.731 179.638 176.870 0.061 0.000 1.095 3176 L CA 0.609 55.502 54.840 0.088 0.000 0.770 3176 L CB -0.386 41.703 42.059 0.049 0.000 0.914 3176 L HN 0.202 nan 8.230 nan 0.000 0.439 3177 R N 0.902 121.422 120.500 0.034 0.000 2.081 3177 R HA -0.169 4.171 4.340 0.000 0.000 0.235 3177 R C 2.116 178.440 176.300 0.040 0.000 1.131 3177 R CA 1.593 57.707 56.100 0.023 0.000 0.960 3177 R CB -0.098 30.204 30.300 0.003 0.000 0.856 3177 R HN 0.008 nan 8.270 nan 0.000 0.436 3178 K N -0.236 120.199 120.400 0.059 0.000 2.155 3178 K HA 0.144 4.464 4.320 0.000 0.000 0.203 3178 K C 1.816 178.501 176.600 0.141 0.000 1.052 3178 K CA 1.303 57.644 56.287 0.090 0.000 0.948 3178 K CB -0.282 32.270 32.500 0.088 0.000 0.728 3178 K HN 0.291 nan 8.250 nan 0.000 0.448 3179 A N 0.752 123.684 122.820 0.187 0.000 1.902 3179 A HA -0.218 4.102 4.320 0.000 0.000 0.217 3179 A C 2.123 179.732 177.584 0.042 0.000 1.181 3179 A CA 1.810 53.929 52.037 0.137 0.000 0.623 3179 A CB -0.480 18.608 19.000 0.148 0.000 0.818 3179 A HN 0.442 nan 8.150 nan 0.000 0.443 3180 E N -0.322 119.901 120.200 0.039 0.000 2.110 3180 E HA -0.215 4.135 4.350 0.000 0.000 0.193 3180 E C 1.723 178.330 176.600 0.012 0.000 0.988 3180 E CA 1.240 57.647 56.400 0.013 0.000 0.804 3180 E CB -0.056 29.650 29.700 0.010 0.000 0.745 3180 E HN 0.563 nan 8.360 nan 0.000 0.458 3181 E N 0.224 120.440 120.200 0.026 0.000 2.106 3181 E HA -0.160 4.190 4.350 0.000 0.000 0.192 3181 E C 2.088 178.701 176.600 0.022 0.000 0.984 3181 E CA 0.556 56.970 56.400 0.024 0.000 0.806 3181 E CB -0.072 29.646 29.700 0.031 0.000 0.750 3181 E HN 0.274 nan 8.360 nan 0.000 0.458 3182 L N 0.436 121.676 121.223 0.029 0.000 2.156 3182 L HA -0.086 4.254 4.340 0.000 0.000 0.208 3182 L C 2.383 179.249 176.870 -0.006 0.000 1.095 3182 L CA 1.049 55.901 54.840 0.020 0.000 0.770 3182 L CB -0.673 41.403 42.059 0.028 0.000 0.914 3182 L HN 0.084 nan 8.230 nan 0.000 0.439 3183 L N -0.962 120.249 121.223 -0.019 0.000 2.093 3183 L HA -0.187 4.153 4.340 0.000 0.000 0.208 3183 L C 1.980 178.836 176.870 -0.024 0.000 1.085 3183 L CA 0.910 55.729 54.840 -0.035 0.000 0.755 3183 L CB -0.525 41.509 42.059 -0.042 0.000 0.904 3183 L HN 0.232 nan 8.230 nan 0.000 0.435 3184 D N -0.569 119.824 120.400 -0.011 0.000 2.224 3184 D HA -0.133 4.507 4.640 0.000 0.000 0.205 3184 D C 2.017 178.316 176.300 -0.002 0.000 0.965 3184 D CA 0.803 54.800 54.000 -0.006 0.000 0.852 3184 D CB -0.029 40.771 40.800 -0.000 0.000 0.947 3184 D HN 0.262 nan 8.370 nan 0.000 0.494 3185 Q N 0.469 120.270 119.800 0.002 0.000 2.415 3185 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 3185 Q C 0.047 176.050 176.000 0.005 0.000 0.946 3185 Q CA 0.010 55.818 55.803 0.007 0.000 0.951 3185 Q CB -0.158 28.589 28.738 0.015 0.000 1.026 3185 Q HN 0.176 nan 8.270 nan 0.000 0.510 3186 N N -0.339 118.360 118.700 -0.002 0.000 2.754 3186 N HA -0.155 4.585 4.740 0.000 0.000 0.248 3186 N C -1.366 174.148 175.510 0.007 0.000 1.093 3186 N CA 0.301 53.349 53.050 -0.002 0.000 0.699 3186 N CB -1.298 37.192 38.487 0.005 0.000 1.016 3186 N HN -0.029 nan 8.380 nan 0.000 0.552 3187 V N 2.113 122.027 119.914 0.001 0.000 2.385 3187 V HA 0.129 4.249 4.120 0.000 0.000 0.269 3187 V C 1.001 177.097 176.094 0.004 0.000 1.043 3187 V CA -0.799 61.509 62.300 0.014 0.000 0.906 3187 V CB 1.032 32.858 31.823 0.005 0.000 0.995 3187 V HN 0.347 nan 8.190 nan 0.000 0.467 3188 H N 8.246 127.299 119.070 -0.028 0.000 3.094 3188 H HA 0.017 4.573 4.556 0.000 0.000 0.320 3188 H C -1.667 173.633 175.328 -0.046 0.000 1.000 3188 H CA -1.055 54.975 56.048 -0.030 0.000 1.413 3188 H CB 1.575 31.322 29.762 -0.025 0.000 1.405 3188 H HN 0.385 nan 8.280 nan 0.000 0.586 3189 P HA -0.187 nan 4.420 nan 0.000 0.217 3189 P C 1.428 178.749 177.300 0.035 0.000 1.148 3189 P CA 2.565 65.597 63.100 -0.113 0.000 0.834 3189 P CB 0.025 31.619 31.700 -0.178 0.000 0.783 3190 T N -4.241 110.475 114.554 0.269 0.000 2.995 3190 T HA -0.034 4.316 4.350 0.000 0.000 0.269 3190 T C 1.702 176.436 174.700 0.056 0.000 1.091 3190 T CA 0.652 62.839 62.100 0.146 0.000 1.128 3190 T CB -0.753 68.188 68.868 0.122 0.000 0.891 3190 T HN -0.082 nan 8.240 nan 0.000 0.492 3191 I N 1.195 121.808 120.570 0.072 0.000 2.333 3191 I HA 0.010 4.180 4.170 0.000 0.000 0.246 3191 I C 2.657 178.747 176.117 -0.044 0.000 1.106 3191 I CA 0.502 61.810 61.300 0.014 0.000 1.411 3191 I CB -1.104 36.916 38.000 0.033 0.000 1.082 3191 I HN 0.175 nan 8.210 nan 0.000 0.420 3192 V N 1.547 121.400 119.914 -0.102 0.000 2.295 3192 V HA -0.219 3.901 4.120 0.000 0.000 0.246 3192 V C 2.731 178.569 176.094 -0.426 0.000 1.049 3192 V CA 1.992 64.115 62.300 -0.295 0.000 1.024 3192 V CB -0.801 30.827 31.823 -0.326 0.000 0.648 3192 V HN 0.414 nan 8.190 nan 0.000 0.447 3193 V N -0.890 118.888 119.914 -0.226 0.000 2.667 3193 V HA -0.105 4.015 4.120 0.000 0.000 0.252 3193 V C 2.360 178.436 176.094 -0.030 0.000 1.065 3193 V CA 2.114 64.341 62.300 -0.123 0.000 1.083 3193 V CB -0.684 31.108 31.823 -0.053 0.000 0.692 3193 V HN 0.493 nan 8.190 nan 0.000 0.468 3194 K N 2.233 122.617 120.400 -0.027 0.000 2.025 3194 K HA 0.098 4.418 4.320 0.000 0.000 0.207 3194 K C 2.136 178.754 176.600 0.029 0.000 1.049 3194 K CA 2.080 58.370 56.287 0.004 0.000 0.933 3194 K CB -1.325 31.174 32.500 -0.001 0.000 0.714 3194 K HN 0.435 nan 8.250 nan 0.000 0.438 3195 G N -0.746 108.078 108.800 0.041 0.000 2.422 3195 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 3195 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 3195 G C 1.170 176.173 174.900 0.172 0.000 1.146 3195 G CA 0.829 45.999 45.100 0.117 0.000 0.769 3195 G HN 0.290 nan 8.290 nan 0.000 0.547 3196 Y N 0.313 120.564 120.300 -0.083 0.000 2.314 3196 Y HA -0.015 4.535 4.550 0.000 0.000 0.293 3196 Y C 2.861 178.582 175.900 -0.298 0.000 1.129 3196 Y CA 0.899 58.877 58.100 -0.202 0.000 1.201 3196 Y CB -0.788 37.714 38.460 0.070 0.000 0.999 3196 Y HN 0.260 nan 8.280 nan 0.000 0.541 3197 Q N 0.383 120.204 119.800 0.035 0.000 2.079 3197 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 3197 Q C 2.357 178.310 176.000 -0.077 0.000 0.974 3197 Q CA 1.754 57.548 55.803 -0.015 0.000 0.840 3197 Q CB -0.474 28.273 28.738 0.015 0.000 0.898 3197 Q HN 0.325 nan 8.270 nan 0.000 0.430 3198 A N 0.251 123.046 122.820 -0.041 0.000 1.873 3198 A HA -0.003 4.317 4.320 0.000 0.000 0.215 3198 A C 2.271 179.788 177.584 -0.111 0.000 1.186 3198 A CA 1.869 53.912 52.037 0.010 0.000 0.616 3198 A CB -1.142 17.942 19.000 0.141 0.000 0.823 3198 A HN 0.498 nan 8.150 nan 0.000 0.442 3199 A N -0.342 122.316 122.820 -0.270 0.000 1.930 3199 A HA 0.249 4.569 4.320 0.000 0.000 0.217 3199 A C 2.443 179.621 177.584 -0.676 0.000 1.175 3199 A CA 1.818 53.539 52.037 -0.526 0.000 0.627 3199 A CB -0.842 17.681 19.000 -0.796 0.000 0.815 3199 A HN 0.990 nan 8.150 nan 0.000 0.443 3200 A N -1.151 121.224 122.820 -0.741 0.000 1.930 3200 A HA -0.123 4.197 4.320 0.000 0.000 0.217 3200 A C 2.092 179.580 177.584 -0.160 0.000 1.175 3200 A CA 1.444 53.296 52.037 -0.309 0.000 0.627 3200 A CB -0.377 18.532 19.000 -0.152 0.000 0.815 3200 A HN 0.461 nan 8.150 nan 0.000 0.443 3201 Q N -0.295 119.399 119.800 -0.175 0.000 2.124 3201 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 3201 Q C 2.003 177.901 176.000 -0.170 0.000 0.977 3201 Q CA 1.816 57.543 55.803 -0.126 0.000 0.850 3201 Q CB -0.301 28.383 28.738 -0.091 0.000 0.901 3201 Q HN 0.619 nan 8.270 nan 0.000 0.429 3202 K N 0.888 121.109 120.400 -0.298 0.000 2.103 3202 K HA 0.029 4.349 4.320 0.000 0.000 0.204 3202 K C 1.843 178.316 176.600 -0.211 0.000 1.052 3202 K CA 1.174 57.236 56.287 -0.376 0.000 0.945 3202 K CB -0.413 31.593 32.500 -0.824 0.000 0.722 3202 K HN 0.111 nan 8.250 nan 0.000 0.443 3203 A N 0.355 123.085 122.820 -0.150 0.000 1.933 3203 A HA -0.207 4.114 4.320 0.000 0.000 0.218 3203 A C 2.150 179.718 177.584 -0.025 0.000 1.175 3203 A CA 1.844 53.861 52.037 -0.033 0.000 0.628 3203 A CB -0.652 18.399 19.000 0.086 0.000 0.814 3203 A HN 0.456 nan 8.150 nan 0.000 0.444 3204 Q N 0.096 119.872 119.800 -0.040 0.000 2.084 3204 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 3204 Q C 1.951 177.932 176.000 -0.032 0.000 0.978 3204 Q CA 2.251 58.038 55.803 -0.027 0.000 0.844 3204 Q CB -0.352 28.369 28.738 -0.028 0.000 0.898 3204 Q HN 0.763 nan 8.270 nan 0.000 0.426 3205 E N -0.590 119.578 120.200 -0.053 0.000 2.077 3205 E HA -0.170 4.180 4.350 0.000 0.000 0.193 3205 E C 1.903 178.482 176.600 -0.034 0.000 0.989 3205 E CA 1.115 57.487 56.400 -0.045 0.000 0.800 3205 E CB -0.151 29.510 29.700 -0.064 0.000 0.746 3205 E HN 0.452 nan 8.360 nan 0.000 0.452 3206 L N 0.584 121.783 121.223 -0.041 0.000 2.083 3206 L HA -0.189 4.151 4.340 0.000 0.000 0.209 3206 L C 2.548 179.416 176.870 -0.003 0.000 1.083 3206 L CA 0.710 55.538 54.840 -0.020 0.000 0.752 3206 L CB -0.300 41.747 42.059 -0.021 0.000 0.899 3206 L HN 0.258 nan 8.230 nan 0.000 0.433 3207 L N -0.390 120.830 121.223 -0.005 0.000 2.056 3207 L HA -0.202 4.138 4.340 0.000 0.000 0.207 3207 L C 2.528 179.399 176.870 0.002 0.000 1.078 3207 L CA 1.357 56.199 54.840 0.003 0.000 0.749 3207 L CB -0.389 41.672 42.059 0.002 0.000 0.901 3207 L HN 0.198 nan 8.230 nan 0.000 0.433 3208 K N -0.885 119.513 120.400 -0.003 0.000 2.362 3208 K HA -0.073 4.247 4.320 0.000 0.000 0.200 3208 K C 1.856 178.455 176.600 -0.001 0.000 1.046 3208 K CA 1.253 57.539 56.287 -0.002 0.000 0.952 3208 K CB -0.059 32.437 32.500 -0.006 0.000 0.753 3208 K HN 0.284 nan 8.250 nan 0.000 0.466 3209 T N 1.274 115.828 114.554 -0.000 0.000 3.035 3209 T HA 0.046 4.396 4.350 0.000 0.000 0.259 3209 T C 1.736 176.440 174.700 0.007 0.000 1.078 3209 T CA 0.569 62.670 62.100 0.002 0.000 1.132 3209 T CB 0.070 68.938 68.868 0.001 0.000 0.900 3209 T HN 0.347 nan 8.240 nan 0.000 0.480 3210 I N -0.861 119.716 120.570 0.012 0.000 3.968 3210 I HA 0.536 4.706 4.170 0.000 0.000 0.328 3210 I C 0.941 177.067 176.117 0.015 0.000 1.290 3210 I CA -0.673 60.638 61.300 0.018 0.000 1.163 3210 I CB -0.254 37.766 38.000 0.033 0.000 1.024 3210 I HN -0.095 nan 8.210 nan 0.000 0.413 3211 A N 1.597 124.424 122.820 0.011 0.000 2.546 3211 A HA 0.129 4.449 4.320 0.000 0.000 0.243 3211 A C 0.083 177.671 177.584 0.007 0.000 1.063 3211 A CA 0.032 52.074 52.037 0.009 0.000 0.757 3211 A CB -0.244 18.759 19.000 0.006 0.000 0.991 3211 A HN 0.640 nan 8.150 nan 0.000 0.503 3212 C N 3.666 122.970 119.300 0.008 0.000 2.255 3212 C HA 0.539 4.999 4.460 0.000 0.000 0.326 3212 C C 0.356 175.349 174.990 0.005 0.000 1.258 3212 C CA -0.641 58.381 59.018 0.006 0.000 1.676 3212 C CB -0.349 27.396 27.740 0.008 0.000 2.314 3212 C HN 0.941 nan 8.230 nan 0.000 0.509 3213 E N 3.681 123.883 120.200 0.004 0.000 2.351 3213 E HA 0.405 4.755 4.350 0.000 0.000 0.266 3213 E C -0.092 176.509 176.600 0.003 0.000 1.031 3213 E CA 0.229 56.631 56.400 0.003 0.000 0.911 3213 E CB 0.643 30.344 29.700 0.002 0.000 0.986 3213 E HN 0.712 nan 8.360 nan 0.000 0.446 3214 V N 1.474 121.390 119.914 0.003 0.000 3.102 3214 V HA 0.840 4.960 4.120 0.000 0.000 0.312 3214 V C 0.515 176.610 176.094 0.003 0.000 1.135 3214 V CA -0.793 61.508 62.300 0.003 0.000 1.022 3214 V CB 1.645 33.470 31.823 0.003 0.000 1.056 3214 V HN 0.672 nan 8.190 nan 0.000 0.436 3215 G N 0.419 109.221 108.800 0.002 0.000 2.343 3215 G HA2 0.463 4.424 3.960 0.000 0.000 0.254 3215 G HA3 0.463 4.424 3.960 0.000 0.000 0.254 3215 G C 0.995 175.896 174.900 0.003 0.000 1.277 3215 G CA 0.193 45.294 45.100 0.003 0.000 0.909 3215 G HN 1.670 nan 8.290 nan 0.000 0.502 3216 A N 2.140 124.962 122.820 0.003 0.000 1.940 3216 A HA -0.124 4.197 4.320 0.000 0.000 0.219 3216 A C 1.930 179.516 177.584 0.004 0.000 1.176 3216 A CA 1.856 53.895 52.037 0.004 0.000 0.631 3216 A CB -0.069 18.934 19.000 0.004 0.000 0.814 3216 A HN 0.641 nan 8.150 nan 0.000 0.446 3217 Q N -0.484 119.318 119.800 0.004 0.000 2.155 3217 Q HA 0.120 4.460 4.340 0.000 0.000 0.220 3217 Q C -0.829 175.173 176.000 0.003 0.000 0.819 3217 Q CA -0.267 55.539 55.803 0.004 0.000 1.032 3217 Q CB 0.183 28.924 28.738 0.006 0.000 1.151 3217 Q HN 0.579 nan 8.270 nan 0.000 0.487 3218 D N 1.012 121.414 120.400 0.003 0.000 2.412 3218 D HA -0.073 4.567 4.640 0.000 0.000 0.257 3218 D C 1.262 177.563 176.300 0.001 0.000 1.217 3218 D CA 0.223 54.224 54.000 0.002 0.000 0.897 3218 D CB 0.907 41.708 40.800 0.002 0.000 1.132 3218 D HN -0.030 nan 8.370 nan 0.000 0.493 3219 K N 3.485 123.886 120.400 0.001 0.000 2.032 3219 K HA -0.265 4.055 4.320 0.000 0.000 0.218 3219 K C 1.238 177.837 176.600 -0.001 0.000 1.054 3219 K CA 1.546 57.833 56.287 -0.000 0.000 0.941 3219 K CB -0.019 32.481 32.500 -0.000 0.000 0.720 3219 K HN 0.584 nan 8.250 nan 0.000 0.449 3220 E N 0.570 120.769 120.200 -0.002 0.000 2.023 3220 E HA -0.203 4.147 4.350 0.000 0.000 0.196 3220 E C 2.134 178.733 176.600 -0.003 0.000 1.003 3220 E CA 1.183 57.581 56.400 -0.003 0.000 0.809 3220 E CB -0.458 29.240 29.700 -0.003 0.000 0.755 3220 E HN 0.324 nan 8.360 nan 0.000 0.449 3221 I N 0.726 121.296 120.570 -0.001 0.000 2.493 3221 I HA -0.211 3.959 4.170 0.000 0.000 0.254 3221 I C 2.087 178.204 176.117 0.000 0.000 1.160 3221 I CA 0.637 61.937 61.300 -0.000 0.000 1.445 3221 I CB -0.094 37.907 38.000 0.001 0.000 1.086 3221 I HN 0.014 nan 8.210 nan 0.000 0.433 3222 L N -0.154 121.069 121.223 0.000 0.000 2.093 3222 L HA -0.161 4.179 4.340 0.000 0.000 0.208 3222 L C 2.469 179.338 176.870 -0.001 0.000 1.085 3222 L CA 1.925 56.765 54.840 0.000 0.000 0.755 3222 L CB -1.360 40.700 42.059 0.000 0.000 0.904 3222 L HN 0.201 nan 8.230 nan 0.000 0.435 3223 T N -1.434 113.119 114.554 -0.002 0.000 2.867 3223 T HA -0.154 4.196 4.350 0.000 0.000 0.268 3223 T C 1.957 176.654 174.700 -0.005 0.000 1.057 3223 T CA 1.028 63.126 62.100 -0.004 0.000 1.136 3223 T CB 0.035 68.900 68.868 -0.006 0.000 0.874 3223 T HN 0.059 nan 8.240 nan 0.000 0.466 3224 K N 0.774 121.172 120.400 -0.004 0.000 2.103 3224 K HA 0.157 4.477 4.320 0.000 0.000 0.204 3224 K C 2.032 178.633 176.600 0.001 0.000 1.052 3224 K CA 0.532 56.817 56.287 -0.004 0.000 0.945 3224 K CB -0.335 32.164 32.500 -0.003 0.000 0.722 3224 K HN 0.201 nan 8.250 nan 0.000 0.443 3225 I N 0.741 121.313 120.570 0.003 0.000 2.142 3225 I HA -0.206 3.964 4.170 0.000 0.000 0.240 3225 I C 2.161 178.282 176.117 0.006 0.000 1.078 3225 I CA 1.502 62.805 61.300 0.006 0.000 1.343 3225 I CB -1.359 36.644 38.000 0.005 0.000 1.046 3225 I HN 0.082 nan 8.210 nan 0.000 0.405 3226 A N 0.640 123.463 122.820 0.004 0.000 1.883 3226 A HA -0.282 4.038 4.320 0.000 0.000 0.217 3226 A C 2.471 180.058 177.584 0.005 0.000 1.186 3226 A CA 2.206 54.245 52.037 0.004 0.000 0.624 3226 A CB -0.732 18.268 19.000 0.001 0.000 0.822 3226 A HN 0.480 nan 8.150 nan 0.000 0.444 3227 M N 0.307 119.907 119.600 0.002 0.000 2.086 3227 M HA -0.169 4.311 4.480 0.000 0.000 0.261 3227 M C 2.268 178.574 176.300 0.010 0.000 1.067 3227 M CA 2.556 57.855 55.300 -0.001 0.000 1.116 3227 M CB -0.505 32.088 32.600 -0.013 0.000 1.348 3227 M HN 0.600 nan 8.290 nan 0.000 0.407 3228 T N -2.458 112.105 114.554 0.015 0.000 2.867 3228 T HA -0.093 4.257 4.350 0.000 0.000 0.268 3228 T C 1.979 176.701 174.700 0.038 0.000 1.057 3228 T CA 1.588 63.708 62.100 0.033 0.000 1.136 3228 T CB -0.687 68.200 68.868 0.032 0.000 0.874 3228 T HN 0.486 nan 8.240 nan 0.000 0.466 3229 S N 1.164 116.879 115.700 0.025 0.000 2.355 3229 S HA -0.005 4.465 4.470 0.000 0.000 0.222 3229 S C 2.031 176.647 174.600 0.026 0.000 1.031 3229 S CA 0.935 59.148 58.200 0.022 0.000 0.993 3229 S CB -0.669 62.539 63.200 0.014 0.000 0.859 3229 S HN 0.585 nan 8.310 nan 0.000 0.453 3230 I N 1.714 122.299 120.570 0.024 0.000 2.264 3230 I HA -0.116 4.054 4.170 0.000 0.000 0.248 3230 I C 1.355 177.496 176.117 0.041 0.000 1.111 3230 I CA 1.015 62.331 61.300 0.026 0.000 1.382 3230 I CB -0.961 37.050 38.000 0.018 0.000 1.060 3230 I HN 0.452 nan 8.210 nan 0.000 0.418 3231 T N -0.770 113.819 114.554 0.059 0.000 2.900 3231 T HA 0.367 4.717 4.350 0.000 0.000 0.307 3231 T C 1.144 175.905 174.700 0.102 0.000 1.065 3231 T CA 0.056 62.219 62.100 0.106 0.000 1.105 3231 T CB 1.379 70.348 68.868 0.168 0.000 0.979 3231 T HN 0.598 nan 8.240 nan 0.000 0.544 3232 G N 1.398 110.269 108.800 0.117 0.000 2.176 3232 G HA2 -0.205 3.755 3.960 0.000 0.000 0.253 3232 G HA3 -0.205 3.755 3.960 0.000 0.000 0.253 3232 G C -0.039 174.883 174.900 0.036 0.000 0.979 3232 G CA 0.409 45.544 45.100 0.059 0.000 0.641 3232 G HN 0.935 nan 8.290 nan 0.000 0.530 3233 K N -0.906 119.520 120.400 0.044 0.000 2.352 3233 K HA 0.609 4.929 4.320 0.000 0.000 0.240 3233 K C 1.542 178.162 176.600 0.034 0.000 1.017 3233 K CA -0.539 55.767 56.287 0.030 0.000 0.851 3233 K CB 1.280 33.796 32.500 0.026 0.000 1.261 3233 K HN 0.169 nan 8.250 nan 0.000 0.451 3234 G N 0.391 109.207 108.800 0.027 0.000 2.448 3234 G HA2 -0.252 3.709 3.960 0.000 0.000 0.219 3234 G HA3 -0.252 3.709 3.960 0.000 0.000 0.219 3234 G C 1.265 176.182 174.900 0.028 0.000 1.127 3234 G CA 1.110 46.227 45.100 0.027 0.000 0.766 3234 G HN 0.613 nan 8.290 nan 0.000 0.552 3235 A N 1.532 124.368 122.820 0.026 0.000 2.121 3235 A HA 0.004 4.325 4.320 0.000 0.000 0.218 3235 A C 2.135 179.733 177.584 0.023 0.000 1.154 3235 A CA 1.669 53.720 52.037 0.023 0.000 0.679 3235 A CB -0.385 18.627 19.000 0.021 0.000 0.795 3235 A HN 0.655 nan 8.150 nan 0.000 0.458 3236 E N 0.528 120.747 120.200 0.031 0.000 2.401 3236 E HA -0.216 4.134 4.350 0.000 0.000 0.199 3236 E C 1.457 178.068 176.600 0.020 0.000 1.023 3236 E CA 1.229 57.648 56.400 0.031 0.000 0.859 3236 E CB -0.318 29.418 29.700 0.059 0.000 0.780 3236 E HN 0.612 nan 8.360 nan 0.000 0.523 3237 K N 0.492 120.904 120.400 0.021 0.000 2.147 3237 K HA -0.063 4.257 4.320 0.000 0.000 0.205 3237 K C 1.388 177.992 176.600 0.006 0.000 1.049 3237 K CA 1.290 57.586 56.287 0.014 0.000 0.936 3237 K CB 0.055 32.565 32.500 0.017 0.000 0.722 3237 K HN 0.229 nan 8.250 nan 0.000 0.446 3238 A N 1.268 124.092 122.820 0.006 0.000 2.631 3238 A HA 0.079 4.399 4.320 0.000 0.000 0.294 3238 A C 1.173 178.757 177.584 -0.000 0.000 1.156 3238 A CA -0.489 51.550 52.037 0.002 0.000 0.963 3238 A CB -0.097 18.907 19.000 0.006 0.000 1.202 3238 A HN 0.253 nan 8.150 nan 0.000 0.523 3239 K N 0.117 120.516 120.400 -0.002 0.000 2.286 3239 K HA -0.223 4.097 4.320 0.000 0.000 0.203 3239 K C 0.841 177.435 176.600 -0.009 0.000 1.045 3239 K CA 1.969 58.254 56.287 -0.004 0.000 0.935 3239 K CB -0.110 32.384 32.500 -0.009 0.000 0.737 3239 K HN 0.348 nan 8.250 nan 0.000 0.460 3240 E N 1.437 121.629 120.200 -0.013 0.000 2.046 3240 E HA -0.137 4.213 4.350 0.000 0.000 0.190 3240 E C 1.930 178.525 176.600 -0.007 0.000 0.982 3240 E CA 1.346 57.738 56.400 -0.013 0.000 0.800 3240 E CB -0.049 29.642 29.700 -0.016 0.000 0.756 3240 E HN 0.305 nan 8.360 nan 0.000 0.449 3241 K N 0.278 120.676 120.400 -0.004 0.000 2.057 3241 K HA -0.072 4.248 4.320 0.000 0.000 0.206 3241 K C 1.667 178.268 176.600 0.001 0.000 1.050 3241 K CA 0.794 57.081 56.287 -0.001 0.000 0.935 3241 K CB -0.229 32.272 32.500 0.002 0.000 0.715 3241 K HN -0.014 nan 8.250 nan 0.000 0.439 3242 L N 0.680 121.904 121.223 0.002 0.000 2.083 3242 L HA -0.001 4.339 4.340 0.000 0.000 0.209 3242 L C 2.301 179.172 176.870 0.002 0.000 1.083 3242 L CA 1.934 56.776 54.840 0.004 0.000 0.752 3242 L CB -1.150 40.912 42.059 0.006 0.000 0.899 3242 L HN 0.293 nan 8.230 nan 0.000 0.433 3243 A N -0.820 122.000 122.820 -0.000 0.000 1.902 3243 A HA -0.252 4.068 4.320 0.000 0.000 0.217 3243 A C 2.360 179.943 177.584 -0.002 0.000 1.181 3243 A CA 1.715 53.751 52.037 -0.002 0.000 0.623 3243 A CB -0.563 18.434 19.000 -0.004 0.000 0.818 3243 A HN 0.493 nan 8.150 nan 0.000 0.443 3244 E N -0.131 120.068 120.200 -0.002 0.000 2.077 3244 E HA -0.183 4.167 4.350 0.000 0.000 0.193 3244 E C 1.865 178.465 176.600 -0.000 0.000 0.989 3244 E CA 1.349 57.748 56.400 -0.001 0.000 0.800 3244 E CB -0.245 29.454 29.700 -0.001 0.000 0.746 3244 E HN 0.665 nan 8.360 nan 0.000 0.452 3245 I N 0.953 121.523 120.570 0.001 0.000 2.226 3245 I HA -0.272 3.899 4.170 0.000 0.000 0.245 3245 I C 2.224 178.341 176.117 -0.000 0.000 1.100 3245 I CA 0.642 61.943 61.300 0.002 0.000 1.374 3245 I CB -0.173 37.830 38.000 0.005 0.000 1.057 3245 I HN 0.259 nan 8.210 nan 0.000 0.413 3246 I N 0.526 121.095 120.570 -0.001 0.000 2.353 3246 I HA -0.142 4.029 4.170 0.000 0.000 0.248 3246 I C 2.681 178.795 176.117 -0.004 0.000 1.119 3246 I CA 1.420 62.719 61.300 -0.003 0.000 1.417 3246 I CB -1.018 36.982 38.000 -0.001 0.000 1.078 3246 I HN 0.199 nan 8.210 nan 0.000 0.421 3247 V N -1.107 118.806 119.914 -0.003 0.000 2.809 3247 V HA -0.120 4.000 4.120 0.000 0.000 0.256 3247 V C 2.179 178.271 176.094 -0.004 0.000 1.080 3247 V CA 1.582 63.880 62.300 -0.003 0.000 1.102 3247 V CB -0.821 31.001 31.823 -0.002 0.000 0.705 3247 V HN 0.434 nan 8.190 nan 0.000 0.475 3248 E N 1.079 121.277 120.200 -0.004 0.000 2.076 3248 E HA -0.038 4.312 4.350 0.000 0.000 0.190 3248 E C 2.206 178.799 176.600 -0.011 0.000 0.979 3248 E CA 1.120 57.517 56.400 -0.005 0.000 0.807 3248 E CB -0.241 29.457 29.700 -0.003 0.000 0.761 3248 E HN 0.642 nan 8.360 nan 0.000 0.454 3249 A N 0.741 123.554 122.820 -0.012 0.000 1.858 3249 A HA -0.139 4.181 4.320 0.000 0.000 0.216 3249 A C 2.387 179.958 177.584 -0.022 0.000 1.190 3249 A CA 1.607 53.633 52.037 -0.018 0.000 0.617 3249 A CB -0.780 18.211 19.000 -0.015 0.000 0.827 3249 A HN 0.226 nan 8.150 nan 0.000 0.443 3250 V N -0.280 119.625 119.914 -0.015 0.000 2.515 3250 V HA -0.169 3.951 4.120 0.000 0.000 0.250 3250 V C 2.762 178.848 176.094 -0.014 0.000 1.058 3250 V CA 2.154 64.445 62.300 -0.014 0.000 1.064 3250 V CB -0.590 31.228 31.823 -0.009 0.000 0.675 3250 V HN 0.671 nan 8.190 nan 0.000 0.461 3251 S N -0.010 115.683 115.700 -0.011 0.000 2.383 3251 S HA -0.118 4.352 4.470 0.000 0.000 0.227 3251 S C 2.108 176.699 174.600 -0.015 0.000 1.026 3251 S CA 1.456 59.652 58.200 -0.008 0.000 0.981 3251 S CB -0.186 63.012 63.200 -0.003 0.000 0.818 3251 S HN 0.596 nan 8.310 nan 0.000 0.472 3252 A N 1.066 123.867 122.820 -0.031 0.000 1.873 3252 A HA 0.026 4.346 4.320 0.000 0.000 0.215 3252 A C 2.373 179.902 177.584 -0.091 0.000 1.186 3252 A CA 1.755 53.754 52.037 -0.063 0.000 0.616 3252 A CB -0.981 17.978 19.000 -0.068 0.000 0.823 3252 A HN 0.941 nan 8.150 nan 0.000 0.442 3253 V N -3.066 116.809 119.914 -0.065 0.000 2.788 3253 V HA -0.007 4.113 4.120 0.000 0.000 0.251 3253 V C 2.093 178.166 176.094 -0.035 0.000 1.068 3253 V CA 1.483 63.745 62.300 -0.063 0.000 1.090 3253 V CB -0.547 31.247 31.823 -0.048 0.000 0.710 3253 V HN 0.205 nan 8.190 nan 0.000 0.467 3254 V N 0.499 120.401 119.914 -0.019 0.000 2.515 3254 V HA -0.093 4.027 4.120 0.000 0.000 0.250 3254 V C 1.610 177.713 176.094 0.015 0.000 1.058 3254 V CA 2.403 64.702 62.300 -0.002 0.000 1.064 3254 V CB -0.533 31.291 31.823 0.001 0.000 0.675 3254 V HN 0.869 nan 8.190 nan 0.000 0.461 3255 D N -0.758 119.656 120.400 0.024 0.000 4.344 3255 D HA -0.223 4.417 4.640 0.000 0.000 0.144 3255 D C 0.552 176.885 176.300 0.056 0.000 0.730 3255 D CA 1.934 55.978 54.000 0.073 0.000 1.156 3255 D CB -1.242 39.623 40.800 0.109 0.000 0.570 3255 D HN 0.565 nan 8.370 nan 0.000 0.533 3256 D N 1.636 122.064 120.400 0.047 0.000 2.398 3256 D HA 0.236 4.876 4.640 0.000 0.000 0.247 3256 D C -0.238 176.075 176.300 0.020 0.000 1.227 3256 D CA 0.168 54.186 54.000 0.030 0.000 0.980 3256 D CB 0.611 41.425 40.800 0.024 0.000 1.106 3256 D HN 0.261 nan 8.370 nan 0.000 0.493 3257 E N 0.030 120.239 120.200 0.015 0.000 2.079 3257 E HA 0.518 4.868 4.350 0.000 0.000 0.252 3257 E C -0.702 175.903 176.600 0.009 0.000 0.992 3257 E CA -0.509 55.898 56.400 0.011 0.000 0.829 3257 E CB -0.343 29.362 29.700 0.009 0.000 1.158 3257 E HN 0.515 nan 8.360 nan 0.000 0.435 3258 G N 2.746 111.551 108.800 0.008 0.000 2.358 3258 G HA2 0.173 4.133 3.960 0.000 0.000 0.303 3258 G HA3 0.173 4.133 3.960 0.000 0.000 0.303 3258 G C -1.867 173.037 174.900 0.007 0.000 1.537 3258 G CA -0.844 44.261 45.100 0.009 0.000 0.928 3258 G HN 0.194 nan 8.290 nan 0.000 0.656 3259 K N 0.434 120.838 120.400 0.006 0.000 2.561 3259 K HA 0.578 4.898 4.320 0.000 0.000 0.254 3259 K C -1.425 175.176 176.600 0.002 0.000 0.942 3259 K CA -0.539 55.751 56.287 0.004 0.000 0.818 3259 K CB 2.307 34.810 32.500 0.004 0.000 1.306 3259 K HN 0.601 nan 8.250 nan 0.000 0.435 3260 V N 2.930 122.844 119.914 -0.000 0.000 2.459 3260 V HA 0.346 4.466 4.120 0.000 0.000 0.295 3260 V C -0.539 175.552 176.094 -0.005 0.000 1.029 3260 V CA -0.725 61.573 62.300 -0.003 0.000 0.874 3260 V CB 1.677 33.498 31.823 -0.004 0.000 0.985 3260 V HN 0.673 nan 8.190 nan 0.000 0.438 3261 D N 3.311 123.706 120.400 -0.008 0.000 2.471 3261 D HA 0.240 4.880 4.640 0.000 0.000 0.245 3261 D C 0.777 177.070 176.300 -0.013 0.000 1.116 3261 D CA -0.553 53.441 54.000 -0.009 0.000 0.853 3261 D CB 1.815 42.610 40.800 -0.009 0.000 1.123 3261 D HN 0.523 nan 8.370 nan 0.000 0.540 3262 K N 2.732 123.125 120.400 -0.012 0.000 2.218 3262 K HA -0.236 4.084 4.320 0.000 0.000 0.205 3262 K C 0.921 177.510 176.600 -0.018 0.000 1.046 3262 K CA 1.400 57.679 56.287 -0.014 0.000 0.933 3262 K CB 0.162 32.656 32.500 -0.011 0.000 0.728 3262 K HN 0.349 nan 8.250 nan 0.000 0.454 3263 D N 0.260 120.649 120.400 -0.018 0.000 2.309 3263 D HA -0.126 4.514 4.640 0.000 0.000 0.212 3263 D C 1.483 177.766 176.300 -0.029 0.000 0.968 3263 D CA 0.777 54.763 54.000 -0.023 0.000 0.882 3263 D CB 0.115 40.903 40.800 -0.020 0.000 0.918 3263 D HN 0.282 nan 8.370 nan 0.000 0.503 3264 L N -0.355 120.851 121.223 -0.028 0.000 2.492 3264 L HA 0.171 4.511 4.340 0.000 0.000 0.223 3264 L C 0.410 177.257 176.870 -0.039 0.000 1.132 3264 L CA 0.205 55.024 54.840 -0.035 0.000 0.850 3264 L CB 0.152 42.191 42.059 -0.032 0.000 0.966 3264 L HN 0.015 nan 8.230 nan 0.000 0.454 3265 I N 0.629 121.178 120.570 -0.034 0.000 2.420 3265 I HA 0.180 4.350 4.170 0.000 0.000 0.282 3265 I C 0.022 176.118 176.117 -0.035 0.000 1.019 3265 I CA -0.394 60.886 61.300 -0.034 0.000 1.130 3265 I CB 1.629 39.614 38.000 -0.026 0.000 1.262 3265 I HN -0.040 nan 8.210 nan 0.000 0.454 3266 K N 6.766 127.139 120.400 -0.044 0.000 2.249 3266 K HA 0.406 4.726 4.320 0.000 0.000 0.280 3266 K C -0.635 175.941 176.600 -0.041 0.000 1.033 3266 K CA -0.479 55.779 56.287 -0.047 0.000 0.946 3266 K CB 0.905 33.366 32.500 -0.065 0.000 1.005 3266 K HN 0.459 nan 8.250 nan 0.000 0.469 3267 I N 4.256 124.805 120.570 -0.035 0.000 2.347 3267 I HA 0.184 4.354 4.170 0.000 0.000 0.283 3267 I C -0.217 175.881 176.117 -0.032 0.000 1.058 3267 I CA -0.550 60.733 61.300 -0.027 0.000 1.202 3267 I CB 0.425 38.414 38.000 -0.018 0.000 1.386 3267 I HN 0.668 nan 8.210 nan 0.000 0.475 3268 E N 6.777 126.954 120.200 -0.037 0.000 2.204 3268 E HA 0.590 4.940 4.350 0.000 0.000 0.276 3268 E C -0.783 175.801 176.600 -0.025 0.000 0.974 3268 E CA -0.633 55.741 56.400 -0.043 0.000 0.815 3268 E CB 1.396 31.052 29.700 -0.073 0.000 1.119 3268 E HN 0.544 nan 8.360 nan 0.000 0.393 3269 K N 1.923 122.310 120.400 -0.022 0.000 2.468 3269 K HA 0.697 5.017 4.320 0.000 0.000 0.252 3269 K C -1.251 175.344 176.600 -0.008 0.000 0.932 3269 K CA -1.183 55.098 56.287 -0.010 0.000 0.794 3269 K CB 1.842 34.337 32.500 -0.009 0.000 1.241 3269 K HN 0.189 nan 8.250 nan 0.000 0.428 3270 K N 1.600 122.002 120.400 0.004 0.000 2.588 3270 K HA 0.191 4.511 4.320 0.000 0.000 0.250 3270 K C -1.000 175.608 176.600 0.012 0.000 0.972 3270 K CA -0.341 55.951 56.287 0.009 0.000 0.821 3270 K CB 1.910 34.426 32.500 0.025 0.000 1.249 3270 K HN 0.852 nan 8.250 nan 0.000 0.442 3271 S N 2.002 117.703 115.700 0.001 0.000 2.576 3271 S HA 0.685 5.155 4.470 0.000 0.000 0.272 3271 S C 0.531 175.137 174.600 0.011 0.000 1.352 3271 S CA 0.501 58.701 58.200 0.001 0.000 1.021 3271 S CB 0.513 63.707 63.200 -0.011 0.000 0.887 3271 S HN 1.384 nan 8.310 nan 0.000 0.542 3272 G N -0.064 108.743 108.800 0.011 0.000 2.484 3272 G HA2 0.483 4.443 3.960 0.000 0.000 0.685 3272 G HA3 0.483 4.443 3.960 0.000 0.000 0.685 3272 G C -0.061 174.849 174.900 0.015 0.000 1.294 3272 G CA -0.008 45.100 45.100 0.013 0.000 0.879 3272 G HN 2.454 nan 8.290 nan 0.000 0.646 3273 A N -0.710 122.118 122.820 0.013 0.000 5.953 3273 A HA 0.384 4.704 4.320 0.000 0.000 0.267 3273 A C 1.163 178.754 177.584 0.012 0.000 2.116 3273 A CA 1.981 54.025 52.037 0.012 0.000 0.711 3273 A CB -1.624 17.385 19.000 0.015 0.000 1.100 3273 A HN 2.726 nan 8.150 nan 0.000 0.364 3274 S N -2.590 113.118 115.700 0.013 0.000 2.810 3274 S HA 0.750 5.220 4.470 0.000 0.000 0.315 3274 S C 1.302 175.911 174.600 0.014 0.000 1.138 3274 S CA 0.011 58.218 58.200 0.013 0.000 0.889 3274 S CB 0.921 64.127 63.200 0.011 0.000 1.236 3274 S HN 0.967 nan 8.310 nan 0.000 0.548 3275 I N 1.195 121.773 120.570 0.015 0.000 2.315 3275 I HA -0.092 4.078 4.170 0.000 0.000 0.248 3275 I C 1.931 178.056 176.117 0.013 0.000 1.117 3275 I CA 1.392 62.701 61.300 0.015 0.000 1.404 3275 I CB -0.302 37.708 38.000 0.015 0.000 1.071 3275 I HN 0.694 nan 8.210 nan 0.000 0.419 3276 D N 1.016 121.422 120.400 0.011 0.000 2.218 3276 D HA -0.210 4.430 4.640 0.000 0.000 0.204 3276 D C 1.593 177.898 176.300 0.010 0.000 0.976 3276 D CA 1.140 55.145 54.000 0.008 0.000 0.853 3276 D CB -0.016 40.788 40.800 0.005 0.000 0.939 3276 D HN 0.248 nan 8.370 nan 0.000 0.481 3277 D N -0.434 119.973 120.400 0.012 0.000 2.347 3277 D HA -0.037 4.603 4.640 0.000 0.000 0.215 3277 D C 0.239 176.552 176.300 0.022 0.000 0.976 3277 D CA 0.391 54.400 54.000 0.014 0.000 0.884 3277 D CB -0.189 40.620 40.800 0.014 0.000 0.915 3277 D HN 0.162 nan 8.370 nan 0.000 0.526 3278 T N 1.513 116.080 114.554 0.022 0.000 2.933 3278 T HA 0.085 4.435 4.350 0.000 0.000 0.306 3278 T C 0.303 175.019 174.700 0.027 0.000 1.045 3278 T CA 0.689 62.804 62.100 0.026 0.000 1.143 3278 T CB 0.966 69.845 68.868 0.019 0.000 1.003 3278 T HN 0.033 nan 8.240 nan 0.000 0.540 3279 E N 1.626 121.848 120.200 0.037 0.000 2.372 3279 E HA 0.527 4.877 4.350 0.000 0.000 0.279 3279 E C -1.890 174.737 176.600 0.045 0.000 0.946 3279 E CA -0.830 55.593 56.400 0.039 0.000 0.769 3279 E CB 1.087 30.814 29.700 0.046 0.000 1.230 3279 E HN 0.367 nan 8.360 nan 0.000 0.442 3280 L N 3.900 125.144 121.223 0.035 0.000 2.289 3280 L HA 0.622 4.962 4.340 0.000 0.000 0.285 3280 L C -1.247 175.649 176.870 0.043 0.000 1.049 3280 L CA -0.247 54.610 54.840 0.028 0.000 0.804 3280 L CB 0.842 42.908 42.059 0.012 0.000 1.195 3280 L HN 0.596 nan 8.230 nan 0.000 0.428 3281 I N 4.751 125.348 120.570 0.045 0.000 2.354 3281 I HA 0.300 4.470 4.170 0.000 0.000 0.286 3281 I C -0.106 176.027 176.117 0.026 0.000 1.007 3281 I CA -0.442 60.897 61.300 0.065 0.000 1.167 3281 I CB 1.196 39.264 38.000 0.114 0.000 1.320 3281 I HN 0.425 nan 8.210 nan 0.000 0.458 3282 K N 5.266 125.680 120.400 0.023 0.000 2.199 3282 K HA 0.551 4.871 4.320 0.000 0.000 0.226 3282 K C 0.513 177.112 176.600 -0.001 0.000 1.237 3282 K CA -0.077 56.209 56.287 -0.001 0.000 1.170 3282 K CB -0.285 32.214 32.500 -0.003 0.000 1.418 3282 K HN 0.869 nan 8.250 nan 0.000 0.255 3283 G N -1.374 107.418 108.800 -0.012 0.000 2.512 3283 G HA2 0.166 4.127 3.960 0.000 0.000 0.181 3283 G HA3 0.166 4.127 3.960 0.000 0.000 0.181 3283 G C -1.623 173.248 174.900 -0.048 0.000 1.173 3283 G CA -0.739 44.349 45.100 -0.021 0.000 0.988 3283 G HN 0.043 nan 8.290 nan 0.000 0.485 3284 V N 0.834 120.709 119.914 -0.064 0.000 2.531 3284 V HA 0.694 4.814 4.120 0.000 0.000 0.301 3284 V C -0.904 175.101 176.094 -0.148 0.000 1.034 3284 V CA -0.592 61.637 62.300 -0.119 0.000 0.865 3284 V CB 1.451 33.172 31.823 -0.171 0.000 0.995 3284 V HN 0.889 nan 8.190 nan 0.000 0.424 3285 L N 7.606 128.705 121.223 -0.207 0.000 2.305 3285 L HA 0.843 5.183 4.340 0.000 0.000 0.284 3285 L C -0.384 176.328 176.870 -0.263 0.000 1.013 3285 L CA -0.178 54.450 54.840 -0.354 0.000 0.819 3285 L CB 1.649 43.391 42.059 -0.528 0.000 1.227 3285 L HN 0.582 nan 8.230 nan 0.000 0.417 3286 V N 1.584 121.365 119.914 -0.222 0.000 2.769 3286 V HA 0.634 4.754 4.120 0.000 0.000 0.312 3286 V C -0.369 175.667 176.094 -0.096 0.000 1.061 3286 V CA -0.523 61.701 62.300 -0.128 0.000 0.931 3286 V CB 1.820 33.602 31.823 -0.068 0.000 1.010 3286 V HN 0.812 nan 8.190 nan 0.000 0.433 3287 D N 1.001 121.365 120.400 -0.060 0.000 3.134 3287 D HA 0.327 4.967 4.640 0.000 0.000 0.248 3287 D C -0.115 176.188 176.300 0.005 0.000 1.273 3287 D CA -0.218 53.763 54.000 -0.032 0.000 0.904 3287 D CB 0.216 40.998 40.800 -0.030 0.000 1.089 3287 D HN 0.547 nan 8.370 nan 0.000 0.478 3288 K N 0.237 120.655 120.400 0.029 0.000 2.352 3288 K HA 0.558 4.878 4.320 0.000 0.000 0.240 3288 K C 0.002 176.635 176.600 0.055 0.000 1.017 3288 K CA -0.865 55.455 56.287 0.055 0.000 0.851 3288 K CB 1.942 34.503 32.500 0.102 0.000 1.261 3288 K HN 0.294 nan 8.250 nan 0.000 0.451 3289 E N -0.156 120.069 120.200 0.042 0.000 2.416 3289 E HA 0.455 4.805 4.350 0.000 0.000 0.273 3289 E C -0.965 175.637 176.600 0.005 0.000 0.935 3289 E CA -1.091 55.326 56.400 0.029 0.000 0.784 3289 E CB 1.447 31.162 29.700 0.024 0.000 1.301 3289 E HN 0.281 nan 8.360 nan 0.000 0.454 3290 R N 0.922 121.418 120.500 -0.006 0.000 2.401 3290 R HA 0.075 4.415 4.340 0.000 0.000 0.299 3290 R C 1.338 177.625 176.300 -0.023 0.000 1.064 3290 R CA 0.252 56.332 56.100 -0.032 0.000 1.000 3290 R CB 0.878 31.159 30.300 -0.031 0.000 0.973 3290 R HN 0.577 nan 8.270 nan 0.000 0.438 3291 V N -0.139 119.757 119.914 -0.030 0.000 2.867 3291 V HA -0.115 4.005 4.120 0.000 0.000 0.260 3291 V C 0.772 176.859 176.094 -0.012 0.000 1.099 3291 V CA 1.226 63.516 62.300 -0.017 0.000 1.122 3291 V CB -0.153 31.660 31.823 -0.018 0.000 0.708 3291 V HN 0.561 nan 8.190 nan 0.000 0.490 3292 S N -1.011 114.678 115.700 -0.018 0.000 2.521 3292 S HA 0.774 5.244 4.470 0.000 0.000 0.295 3292 S C 0.873 175.465 174.600 -0.014 0.000 1.098 3292 S CA -0.127 58.065 58.200 -0.013 0.000 0.999 3292 S CB 1.858 65.047 63.200 -0.017 0.000 1.034 3292 S HN 0.723 nan 8.310 nan 0.000 0.483 3293 A N 3.021 125.837 122.820 -0.007 0.000 2.070 3293 A HA -0.076 4.244 4.320 0.000 0.000 0.220 3293 A C 1.873 179.450 177.584 -0.011 0.000 1.159 3293 A CA 1.883 53.917 52.037 -0.006 0.000 0.656 3293 A CB -0.673 18.326 19.000 -0.001 0.000 0.800 3293 A HN 0.809 nan 8.150 nan 0.000 0.453 3294 Q N -0.529 119.260 119.800 -0.017 0.000 2.378 3294 Q HA 0.132 4.472 4.340 0.000 0.000 0.205 3294 Q C 0.711 176.689 176.000 -0.037 0.000 0.954 3294 Q CA 0.414 56.200 55.803 -0.028 0.000 0.901 3294 Q CB -0.456 28.255 28.738 -0.045 0.000 0.981 3294 Q HN 0.679 nan 8.270 nan 0.000 0.483 3295 M N 2.249 121.827 119.600 -0.037 0.000 2.245 3295 M HA 0.194 4.674 4.480 0.000 0.000 0.344 3295 M C -1.920 174.363 176.300 -0.029 0.000 1.170 3295 M CA -1.738 53.538 55.300 -0.040 0.000 1.135 3295 M CB 0.389 32.963 32.600 -0.044 0.000 1.574 3295 M HN -0.054 nan 8.290 nan 0.000 0.452 3296 P HA -0.021 nan 4.420 nan 0.000 0.265 3296 P C -0.237 177.055 177.300 -0.013 0.000 1.187 3296 P CA 0.245 63.334 63.100 -0.018 0.000 0.766 3296 P CB 0.467 32.156 31.700 -0.017 0.000 0.820 3297 K N 2.256 122.652 120.400 -0.006 0.000 2.426 3297 K HA 0.008 4.328 4.320 0.000 0.000 0.193 3297 K C 0.148 176.754 176.600 0.010 0.000 1.028 3297 K CA 0.479 56.767 56.287 0.002 0.000 1.047 3297 K CB 0.094 32.595 32.500 0.002 0.000 0.821 3297 K HN 0.448 nan 8.250 nan 0.000 0.513 3298 K N -0.717 119.687 120.400 0.006 0.000 2.561 3298 K HA 0.263 4.584 4.320 0.000 0.000 0.254 3298 K C -1.541 175.065 176.600 0.009 0.000 0.942 3298 K CA -0.942 55.352 56.287 0.012 0.000 0.818 3298 K CB 2.047 34.551 32.500 0.007 0.000 1.306 3298 K HN -0.218 nan 8.250 nan 0.000 0.435 3299 V N 2.206 122.130 119.914 0.017 0.000 2.531 3299 V HA 0.438 4.558 4.120 0.000 0.000 0.301 3299 V C -0.158 175.950 176.094 0.023 0.000 1.034 3299 V CA -0.527 61.781 62.300 0.014 0.000 0.865 3299 V CB 1.814 33.642 31.823 0.009 0.000 0.995 3299 V HN 0.997 nan 8.190 nan 0.000 0.424 3300 T N 0.015 114.580 114.554 0.017 0.000 2.929 3300 T HA 0.534 4.884 4.350 0.000 0.000 0.284 3300 T C 0.178 174.890 174.700 0.021 0.000 1.014 3300 T CA -0.218 61.894 62.100 0.020 0.000 1.051 3300 T CB 1.277 70.154 68.868 0.014 0.000 1.028 3300 T HN 0.777 nan 8.240 nan 0.000 0.485 3301 D N 0.148 120.563 120.400 0.024 0.000 2.689 3301 D HA -0.156 4.484 4.640 0.000 0.000 0.237 3301 D C 0.303 176.619 176.300 0.028 0.000 1.148 3301 D CA 0.825 54.839 54.000 0.024 0.000 0.656 3301 D CB -1.279 39.532 40.800 0.018 0.000 1.050 3301 D HN 1.099 nan 8.370 nan 0.000 0.426 3302 A N 1.350 124.192 122.820 0.036 0.000 2.511 3302 A HA 0.355 4.675 4.320 0.000 0.000 0.242 3302 A C 0.509 178.121 177.584 0.046 0.000 1.069 3302 A CA 0.198 52.260 52.037 0.042 0.000 0.763 3302 A CB 0.546 19.581 19.000 0.060 0.000 1.001 3302 A HN 0.158 nan 8.150 nan 0.000 0.498 3303 K N 3.027 123.451 120.400 0.040 0.000 2.404 3303 K HA 0.383 4.703 4.320 0.000 0.000 0.257 3303 K C -1.214 175.419 176.600 0.055 0.000 1.026 3303 K CA -0.247 56.065 56.287 0.041 0.000 0.951 3303 K CB 0.934 33.451 32.500 0.027 0.000 1.203 3303 K HN 0.523 nan 8.250 nan 0.000 0.446 3304 I N 2.141 122.760 120.570 0.082 0.000 2.371 3304 I HA 0.201 4.371 4.170 0.000 0.000 0.290 3304 I C 0.370 176.555 176.117 0.112 0.000 1.028 3304 I CA -0.146 61.234 61.300 0.133 0.000 1.345 3304 I CB 1.361 39.477 38.000 0.193 0.000 1.407 3304 I HN 0.517 nan 8.210 nan 0.000 0.501 3305 A N 7.501 130.391 122.820 0.117 0.000 2.337 3305 A HA 0.856 5.176 4.320 0.000 0.000 0.329 3305 A C -0.793 176.876 177.584 0.142 0.000 1.146 3305 A CA -0.569 51.525 52.037 0.094 0.000 0.800 3305 A CB 0.705 19.738 19.000 0.054 0.000 1.220 3305 A HN 0.653 nan 8.150 nan 0.000 0.472 3306 L N 3.411 124.697 121.223 0.105 0.000 2.318 3306 L HA 0.420 4.760 4.340 0.000 0.000 0.277 3306 L C -0.919 175.993 176.870 0.070 0.000 1.008 3306 L CA -0.081 54.822 54.840 0.105 0.000 0.846 3306 L CB 0.961 43.061 42.059 0.068 0.000 1.220 3306 L HN 0.572 nan 8.230 nan 0.000 0.423 3307 L N 2.758 124.026 121.223 0.075 0.000 2.325 3307 L HA 0.432 4.772 4.340 0.000 0.000 0.278 3307 L C 0.785 177.685 176.870 0.049 0.000 1.023 3307 L CA -0.340 54.531 54.840 0.052 0.000 0.811 3307 L CB 1.901 43.987 42.059 0.046 0.000 1.249 3307 L HN 0.518 nan 8.230 nan 0.000 0.431 3308 N N 0.822 119.543 118.700 0.036 0.000 2.454 3308 N HA -0.016 4.724 4.740 0.000 0.000 0.177 3308 N C 0.500 176.026 175.510 0.027 0.000 1.049 3308 N CA -0.026 53.042 53.050 0.030 0.000 0.887 3308 N CB 0.331 38.832 38.487 0.022 0.000 1.095 3308 N HN 0.743 nan 8.380 nan 0.000 0.446 3309 C N 1.348 120.663 119.300 0.025 0.000 2.700 3309 C HA 0.779 5.239 4.460 0.000 0.000 0.397 3309 C C 0.984 175.989 174.990 0.025 0.000 1.301 3309 C CA -1.339 57.692 59.018 0.023 0.000 2.219 3309 C CB -0.448 27.305 27.740 0.021 0.000 2.699 3309 C HN 0.426 nan 8.230 nan 0.000 0.669 3310 A N 2.775 125.609 122.820 0.023 0.000 2.388 3310 A HA 0.580 4.900 4.320 0.000 0.000 0.257 3310 A C 0.183 177.782 177.584 0.026 0.000 1.095 3310 A CA -0.598 51.453 52.037 0.024 0.000 0.791 3310 A CB -0.059 18.954 19.000 0.022 0.000 1.029 3310 A HN 0.901 nan 8.150 nan 0.000 0.489 3311 I N 2.759 123.346 120.570 0.027 0.000 2.206 3311 I HA 0.182 4.352 4.170 0.000 0.000 0.292 3311 I C 0.442 176.580 176.117 0.035 0.000 1.156 3311 I CA 0.247 61.565 61.300 0.031 0.000 1.356 3311 I CB -0.695 37.324 38.000 0.032 0.000 1.494 3311 I HN 0.870 nan 8.210 nan 0.000 0.601 3312 E N 3.922 124.141 120.200 0.033 0.000 2.456 3312 E HA 0.469 4.819 4.350 0.000 0.000 0.276 3312 E C -0.753 175.867 176.600 0.034 0.000 0.981 3312 E CA -1.179 55.242 56.400 0.034 0.000 0.814 3312 E CB 1.512 31.229 29.700 0.028 0.000 1.382 3312 E HN 0.020 nan 8.360 nan 0.000 0.459 3313 I N 2.248 122.840 120.570 0.036 0.000 2.705 3313 I HA -0.028 4.142 4.170 0.000 0.000 0.291 3313 I C 0.653 176.788 176.117 0.031 0.000 1.146 3313 I CA 0.460 61.782 61.300 0.037 0.000 1.383 3313 I CB -0.375 37.650 38.000 0.042 0.000 1.454 3313 I HN 0.328 nan 8.210 nan 0.000 0.581 3314 K N 5.194 125.611 120.400 0.028 0.000 2.511 3314 K HA -0.058 4.262 4.320 0.000 0.000 0.280 3314 K C 0.038 176.652 176.600 0.024 0.000 1.008 3314 K CA 0.219 56.521 56.287 0.024 0.000 1.050 3314 K CB 0.390 32.903 32.500 0.022 0.000 0.889 3314 K HN 0.466 nan 8.250 nan 0.000 0.484 3315 E N 2.239 122.451 120.200 0.020 0.000 2.179 3315 E HA 0.151 4.502 4.350 0.000 0.000 0.275 3315 E C -0.836 175.773 176.600 0.015 0.000 0.945 3315 E CA -0.553 55.858 56.400 0.018 0.000 0.792 3315 E CB 0.988 30.696 29.700 0.014 0.000 1.125 3315 E HN 0.578 nan 8.360 nan 0.000 0.397 3316 T N 1.932 116.496 114.554 0.015 0.000 2.903 3316 T HA 0.095 4.445 4.350 0.000 0.000 0.314 3316 T C 0.886 175.592 174.700 0.010 0.000 1.078 3316 T CA -0.490 61.618 62.100 0.014 0.000 1.114 3316 T CB 0.753 69.629 68.868 0.015 0.000 0.987 3316 T HN 0.448 nan 8.240 nan 0.000 0.548 3317 E N 0.724 120.930 120.200 0.010 0.000 2.046 3317 E HA -0.027 4.324 4.350 0.000 0.000 0.190 3317 E C 1.302 177.906 176.600 0.006 0.000 0.982 3317 E CA 0.902 57.307 56.400 0.008 0.000 0.800 3317 E CB -0.581 29.124 29.700 0.008 0.000 0.756 3317 E HN 0.795 nan 8.360 nan 0.000 0.449 3318 T N 1.853 116.411 114.554 0.006 0.000 2.930 3318 T HA -0.005 4.345 4.350 0.000 0.000 0.306 3318 T C -0.328 174.375 174.700 0.004 0.000 1.045 3318 T CA -0.610 61.493 62.100 0.005 0.000 1.134 3318 T CB 0.355 69.227 68.868 0.006 0.000 0.961 3318 T HN -0.178 nan 8.240 nan 0.000 0.545 3319 D N 2.738 123.139 120.400 0.002 0.000 2.450 3319 D HA 0.470 5.110 4.640 0.000 0.000 0.247 3319 D C -0.247 176.052 176.300 -0.002 0.000 1.162 3319 D CA 0.517 54.516 54.000 -0.001 0.000 0.879 3319 D CB 0.702 41.501 40.800 -0.002 0.000 1.163 3319 D HN 0.743 nan 8.370 nan 0.000 0.472 3320 A N 2.805 125.623 122.820 -0.004 0.000 2.547 3320 A HA 0.601 4.921 4.320 0.000 0.000 0.297 3320 A C -0.784 176.789 177.584 -0.017 0.000 1.056 3320 A CA -0.774 51.259 52.037 -0.006 0.000 0.688 3320 A CB 1.656 20.657 19.000 0.002 0.000 1.282 3320 A HN 0.459 nan 8.150 nan 0.000 0.400 3321 E N 0.858 121.041 120.200 -0.029 0.000 2.356 3321 E HA 0.503 4.853 4.350 0.000 0.000 0.275 3321 E C -1.465 175.085 176.600 -0.083 0.000 0.904 3321 E CA -0.836 55.533 56.400 -0.053 0.000 0.757 3321 E CB 2.300 31.971 29.700 -0.049 0.000 1.232 3321 E HN 0.494 nan 8.360 nan 0.000 0.442 3322 I N 2.053 122.535 120.570 -0.147 0.000 2.472 3322 I HA 0.183 4.353 4.170 0.000 0.000 0.290 3322 I C -0.011 175.958 176.117 -0.246 0.000 1.016 3322 I CA -0.254 60.884 61.300 -0.271 0.000 1.348 3322 I CB 0.483 38.153 38.000 -0.552 0.000 1.417 3322 I HN 0.195 nan 8.210 nan 0.000 0.521 3323 R N 6.974 127.344 120.500 -0.216 0.000 2.363 3323 R HA 0.478 4.818 4.340 0.000 0.000 0.297 3323 R C -0.927 175.300 176.300 -0.123 0.000 1.208 3323 R CA -0.527 55.491 56.100 -0.136 0.000 1.121 3323 R CB 0.680 30.939 30.300 -0.068 0.000 1.124 3323 R HN 0.547 nan 8.270 nan 0.000 0.561 3324 I N 0.968 121.450 120.570 -0.147 0.000 2.395 3324 I HA 0.113 4.283 4.170 0.000 0.000 0.289 3324 I C 1.318 177.430 176.117 -0.009 0.000 1.023 3324 I CA 0.263 61.526 61.300 -0.062 0.000 1.350 3324 I CB 1.549 39.510 38.000 -0.066 0.000 1.409 3324 I HN 0.357 nan 8.210 nan 0.000 0.507 3325 T N 3.110 117.682 114.554 0.030 0.000 3.262 3325 T HA 0.113 4.463 4.350 0.000 0.000 0.300 3325 T C -0.503 174.218 174.700 0.035 0.000 0.959 3325 T CA -0.154 61.961 62.100 0.024 0.000 0.936 3325 T CB -0.212 68.667 68.868 0.019 0.000 1.169 3325 T HN 0.620 nan 8.240 nan 0.000 0.532 3326 D N 0.640 121.071 120.400 0.052 0.000 2.896 3326 D HA 0.355 4.995 4.640 0.000 0.000 0.241 3326 D C -2.188 174.144 176.300 0.052 0.000 1.188 3326 D CA -1.809 52.219 54.000 0.048 0.000 0.879 3326 D CB 2.851 43.681 40.800 0.051 0.000 1.553 3326 D HN -0.154 nan 8.370 nan 0.000 0.515 3327 P HA -0.135 nan 4.420 nan 0.000 0.217 3327 P C 0.962 178.285 177.300 0.039 0.000 1.148 3327 P CA 1.349 64.469 63.100 0.034 0.000 0.834 3327 P CB 0.335 32.049 31.700 0.023 0.000 0.783 3328 A N -0.301 122.540 122.820 0.036 0.000 1.898 3328 A HA -0.193 4.127 4.320 0.000 0.000 0.216 3328 A C 2.083 179.694 177.584 0.044 0.000 1.181 3328 A CA 1.578 53.633 52.037 0.030 0.000 0.620 3328 A CB -0.880 18.131 19.000 0.017 0.000 0.819 3328 A HN 0.151 nan 8.150 nan 0.000 0.442 3329 K N -0.811 119.638 120.400 0.081 0.000 2.148 3329 K HA -0.046 4.274 4.320 0.000 0.000 0.204 3329 K C 1.820 178.574 176.600 0.256 0.000 1.050 3329 K CA 1.041 57.428 56.287 0.166 0.000 0.942 3329 K CB -0.307 32.344 32.500 0.252 0.000 0.724 3329 K HN 0.376 nan 8.250 nan 0.000 0.446 3330 L N 0.999 122.317 121.223 0.158 0.000 2.042 3330 L HA -0.199 4.141 4.340 0.000 0.000 0.210 3330 L C 1.995 178.938 176.870 0.122 0.000 1.076 3330 L CA 1.770 56.688 54.840 0.129 0.000 0.749 3330 L CB -0.223 41.877 42.059 0.069 0.000 0.893 3330 L HN 0.177 nan 8.230 nan 0.000 0.432 3331 M N -1.269 118.382 119.600 0.084 0.000 2.193 3331 M HA -0.067 4.413 4.480 0.000 0.000 0.265 3331 M C 2.150 178.475 176.300 0.042 0.000 1.071 3331 M CA 1.134 56.467 55.300 0.054 0.000 1.140 3331 M CB -1.106 31.512 32.600 0.030 0.000 1.369 3331 M HN 0.246 nan 8.290 nan 0.000 0.423 3332 E N 0.014 120.226 120.200 0.019 0.000 2.051 3332 E HA -0.136 4.214 4.350 0.000 0.000 0.192 3332 E C 2.071 178.609 176.600 -0.103 0.000 0.991 3332 E CA 1.403 57.754 56.400 -0.082 0.000 0.799 3332 E CB -0.416 29.175 29.700 -0.182 0.000 0.748 3332 E HN 0.455 nan 8.360 nan 0.000 0.449 3333 F N 0.658 120.611 119.950 0.005 0.000 2.206 3333 F HA -0.051 4.476 4.527 0.000 0.000 0.298 3333 F C 2.400 178.205 175.800 0.008 0.000 1.090 3333 F CA 0.551 58.555 58.000 0.006 0.000 1.323 3333 F CB -0.165 38.838 39.000 0.005 0.000 1.028 3333 F HN -0.053 nan 8.300 nan 0.000 0.492 3334 I N -0.125 120.558 120.570 0.189 0.000 2.286 3334 I HA -0.263 3.907 4.170 0.000 0.000 0.248 3334 I C 2.014 178.176 176.117 0.074 0.000 1.115 3334 I CA 1.513 62.879 61.300 0.110 0.000 1.392 3334 I CB -0.397 37.650 38.000 0.078 0.000 1.065 3334 I HN 0.175 nan 8.210 nan 0.000 0.418 3335 E N -0.010 120.221 120.200 0.052 0.000 2.216 3335 E HA -0.233 4.118 4.350 0.000 0.000 0.192 3335 E C 2.030 178.640 176.600 0.017 0.000 0.988 3335 E CA 0.520 56.938 56.400 0.029 0.000 0.834 3335 E CB 0.035 29.741 29.700 0.009 0.000 0.772 3335 E HN 0.330 nan 8.360 nan 0.000 0.479 3336 Q N 1.021 120.824 119.800 0.005 0.000 2.172 3336 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 3336 Q C 1.768 177.789 176.000 0.034 0.000 0.964 3336 Q CA 1.137 56.931 55.803 -0.014 0.000 0.855 3336 Q CB 0.213 28.901 28.738 -0.085 0.000 0.918 3336 Q HN 0.147 nan 8.270 nan 0.000 0.444 3337 E N 0.286 120.528 120.200 0.071 0.000 2.051 3337 E HA -0.198 4.152 4.350 0.000 0.000 0.192 3337 E C 1.717 178.355 176.600 0.063 0.000 0.991 3337 E CA 1.124 57.568 56.400 0.073 0.000 0.799 3337 E CB -0.154 29.595 29.700 0.082 0.000 0.748 3337 E HN 0.481 nan 8.360 nan 0.000 0.449 3338 E N 1.388 121.627 120.200 0.066 0.000 2.150 3338 E HA -0.197 4.153 4.350 0.000 0.000 0.193 3338 E C 1.926 178.564 176.600 0.064 0.000 0.985 3338 E CA 1.030 57.483 56.400 0.089 0.000 0.814 3338 E CB 0.132 29.890 29.700 0.097 0.000 0.752 3338 E HN -0.055 nan 8.360 nan 0.000 0.466 3339 K N 0.843 121.258 120.400 0.024 0.000 2.057 3339 K HA -0.071 4.249 4.320 0.000 0.000 0.206 3339 K C 2.294 178.881 176.600 -0.022 0.000 1.050 3339 K CA 1.467 57.744 56.287 -0.016 0.000 0.935 3339 K CB -0.534 31.951 32.500 -0.025 0.000 0.715 3339 K HN 0.148 nan 8.250 nan 0.000 0.439 3340 M N -0.199 119.402 119.600 0.002 0.000 2.065 3340 M HA -0.180 4.300 4.480 0.000 0.000 0.259 3340 M C 1.858 178.163 176.300 0.009 0.000 1.069 3340 M CA 1.743 57.047 55.300 0.006 0.000 1.110 3340 M CB -0.268 32.346 32.600 0.024 0.000 1.328 3340 M HN 0.264 nan 8.290 nan 0.000 0.405 3341 L N 0.766 122.009 121.223 0.033 0.000 2.083 3341 L HA -0.196 4.144 4.340 0.000 0.000 0.209 3341 L C 2.366 179.261 176.870 0.043 0.000 1.083 3341 L CA 1.954 56.828 54.840 0.057 0.000 0.752 3341 L CB -0.779 41.339 42.059 0.098 0.000 0.899 3341 L HN 0.350 nan 8.230 nan 0.000 0.433 3342 K N -0.845 119.542 120.400 -0.021 0.000 2.057 3342 K HA -0.197 4.123 4.320 0.000 0.000 0.207 3342 K C 1.601 178.099 176.600 -0.169 0.000 1.049 3342 K CA 1.769 57.913 56.287 -0.238 0.000 0.931 3342 K CB -0.091 32.154 32.500 -0.425 0.000 0.714 3342 K HN 0.344 nan 8.250 nan 0.000 0.440 3343 D N 0.400 120.743 120.400 -0.095 0.000 2.183 3343 D HA -0.112 4.528 4.640 0.000 0.000 0.203 3343 D C 1.880 178.156 176.300 -0.040 0.000 0.969 3343 D CA 1.067 55.027 54.000 -0.068 0.000 0.842 3343 D CB -0.017 40.755 40.800 -0.046 0.000 0.957 3343 D HN 0.305 nan 8.370 nan 0.000 0.484 3344 M N -0.041 119.547 119.600 -0.021 0.000 2.117 3344 M HA -0.131 4.349 4.480 0.000 0.000 0.262 3344 M C 2.223 178.524 176.300 0.000 0.000 1.065 3344 M CA 0.903 56.202 55.300 -0.001 0.000 1.114 3344 M CB -0.069 32.541 32.600 0.016 0.000 1.361 3344 M HN -0.108 nan 8.290 nan 0.000 0.408 3345 V N 0.247 120.161 119.914 -0.000 0.000 2.358 3345 V HA -0.213 3.907 4.120 0.000 0.000 0.246 3345 V C 2.607 178.692 176.094 -0.016 0.000 1.047 3345 V CA 1.887 64.192 62.300 0.008 0.000 1.035 3345 V CB -1.148 30.701 31.823 0.043 0.000 0.658 3345 V HN 0.513 nan 8.190 nan 0.000 0.452 3346 A N -0.358 122.435 122.820 -0.045 0.000 1.933 3346 A HA -0.245 4.075 4.320 0.000 0.000 0.218 3346 A C 2.166 179.735 177.584 -0.026 0.000 1.175 3346 A CA 1.899 53.908 52.037 -0.046 0.000 0.628 3346 A CB -0.405 18.555 19.000 -0.066 0.000 0.814 3346 A HN 0.638 nan 8.150 nan 0.000 0.444 3347 E N -0.426 119.762 120.200 -0.020 0.000 2.107 3347 E HA -0.086 4.265 4.350 0.000 0.000 0.191 3347 E C 1.838 178.435 176.600 -0.004 0.000 0.982 3347 E CA 0.969 57.362 56.400 -0.010 0.000 0.809 3347 E CB -0.241 29.455 29.700 -0.007 0.000 0.756 3347 E HN 0.700 nan 8.360 nan 0.000 0.459 3348 I N 1.209 121.778 120.570 -0.002 0.000 2.226 3348 I HA -0.273 3.897 4.170 0.000 0.000 0.245 3348 I C 2.444 178.560 176.117 -0.001 0.000 1.100 3348 I CA 0.997 62.298 61.300 0.002 0.000 1.374 3348 I CB -0.117 37.886 38.000 0.005 0.000 1.057 3348 I HN -0.018 nan 8.210 nan 0.000 0.413 3349 K N 1.673 122.070 120.400 -0.005 0.000 2.097 3349 K HA -0.073 4.247 4.320 0.000 0.000 0.205 3349 K C 2.025 178.621 176.600 -0.006 0.000 1.050 3349 K CA 1.618 57.901 56.287 -0.007 0.000 0.938 3349 K CB -0.407 32.086 32.500 -0.011 0.000 0.718 3349 K HN 0.254 nan 8.250 nan 0.000 0.442 3350 A N 0.355 123.171 122.820 -0.007 0.000 1.978 3350 A HA -0.166 4.154 4.320 0.000 0.000 0.220 3350 A C 2.130 179.713 177.584 -0.002 0.000 1.170 3350 A CA 2.163 54.196 52.037 -0.006 0.000 0.636 3350 A CB -1.035 17.960 19.000 -0.008 0.000 0.810 3350 A HN 0.555 nan 8.150 nan 0.000 0.448 3351 S N -1.689 114.011 115.700 0.001 0.000 2.442 3351 S HA 0.232 4.702 4.470 0.000 0.000 0.236 3351 S C 1.642 176.246 174.600 0.007 0.000 1.007 3351 S CA 1.482 59.685 58.200 0.005 0.000 0.965 3351 S CB -0.539 62.666 63.200 0.009 0.000 0.773 3351 S HN 1.988 nan 8.310 nan 0.000 0.504 3352 G N 0.570 109.373 108.800 0.004 0.000 2.176 3352 G HA2 -0.060 3.900 3.960 0.000 0.000 0.232 3352 G HA3 -0.060 3.900 3.960 0.000 0.000 0.232 3352 G C 0.256 175.160 174.900 0.007 0.000 0.986 3352 G CA -0.001 45.102 45.100 0.005 0.000 0.643 3352 G HN 1.365 nan 8.290 nan 0.000 0.522 3353 A N 0.408 123.233 122.820 0.008 0.000 2.498 3353 A HA 0.570 4.890 4.320 0.000 0.000 0.239 3353 A C 1.000 178.584 177.584 -0.001 0.000 1.068 3353 A CA 1.290 53.333 52.037 0.010 0.000 0.766 3353 A CB 0.129 19.136 19.000 0.012 0.000 1.003 3353 A HN 1.357 nan 8.150 nan 0.000 0.497 3354 N N -0.354 118.344 118.700 -0.003 0.000 2.067 3354 N HA 0.176 4.916 4.740 0.000 0.000 0.227 3354 N C -0.901 174.588 175.510 -0.036 0.000 1.348 3354 N CA 0.126 53.166 53.050 -0.016 0.000 0.879 3354 N CB 0.523 39.005 38.487 -0.008 0.000 1.109 3354 N HN 0.269 nan 8.380 nan 0.000 0.501 3355 V N 1.517 121.410 119.914 -0.035 0.000 2.531 3355 V HA 0.599 4.719 4.120 0.000 0.000 0.301 3355 V C -1.354 174.668 176.094 -0.121 0.000 1.034 3355 V CA -0.815 61.428 62.300 -0.094 0.000 0.865 3355 V CB 1.809 33.618 31.823 -0.024 0.000 0.995 3355 V HN 0.219 nan 8.190 nan 0.000 0.424 3356 L N 5.540 126.592 121.223 -0.285 0.000 2.410 3356 L HA 0.736 5.076 4.340 0.000 0.000 0.270 3356 L C -1.572 175.036 176.870 -0.437 0.000 0.983 3356 L CA -0.067 54.647 54.840 -0.209 0.000 0.822 3356 L CB 1.741 43.736 42.059 -0.108 0.000 1.285 3356 L HN 0.476 nan 8.230 nan 0.000 0.409 3357 F N 4.631 124.585 119.950 0.006 0.000 2.427 3357 F HA 0.485 5.013 4.527 0.000 0.000 0.348 3357 F C -0.040 175.762 175.800 0.004 0.000 1.125 3357 F CA -0.438 57.564 58.000 0.003 0.000 0.989 3357 F CB 1.602 40.601 39.000 -0.001 0.000 1.165 3357 F HN 0.507 nan 8.300 nan 0.000 0.442 3358 C N 4.890 124.272 119.300 0.136 0.000 2.303 3358 C HA 0.244 4.704 4.460 0.000 0.000 0.326 3358 C C 1.642 176.684 174.990 0.087 0.000 1.285 3358 C CA -0.403 58.667 59.018 0.088 0.000 1.675 3358 C CB 0.756 28.524 27.740 0.046 0.000 2.289 3358 C HN 0.965 nan 8.230 nan 0.000 0.512 3359 Q N 3.396 123.238 119.800 0.070 0.000 2.124 3359 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 3359 Q C 0.790 176.814 176.000 0.039 0.000 0.977 3359 Q CA 1.631 57.464 55.803 0.051 0.000 0.850 3359 Q CB 0.180 28.939 28.738 0.035 0.000 0.901 3359 Q HN 0.758 nan 8.270 nan 0.000 0.429 3360 K N -1.146 119.275 120.400 0.035 0.000 2.632 3360 K HA 0.433 4.753 4.320 0.000 0.000 0.267 3360 K C 0.328 176.945 176.600 0.028 0.000 1.028 3360 K CA -0.204 56.100 56.287 0.028 0.000 1.045 3360 K CB 0.147 32.661 32.500 0.024 0.000 1.400 3360 K HN 0.114 nan 8.250 nan 0.000 0.522 3361 G N 0.263 109.077 108.800 0.023 0.000 2.599 3361 G HA2 0.429 4.389 3.960 0.000 0.000 0.264 3361 G HA3 0.429 4.389 3.960 0.000 0.000 0.264 3361 G C -0.523 174.390 174.900 0.022 0.000 1.200 3361 G CA -0.513 44.599 45.100 0.021 0.000 0.896 3361 G HN 0.371 nan 8.290 nan 0.000 0.536 3362 I N 0.352 120.933 120.570 0.019 0.000 2.499 3362 I HA 0.169 4.339 4.170 0.000 0.000 0.288 3362 I C -0.584 175.546 176.117 0.021 0.000 1.048 3362 I CA -0.790 60.522 61.300 0.021 0.000 1.062 3362 I CB 2.151 40.160 38.000 0.016 0.000 1.238 3362 I HN 0.420 nan 8.210 nan 0.000 0.426 3363 D N 5.242 125.659 120.400 0.028 0.000 2.414 3363 D HA -0.037 4.603 4.640 0.000 0.000 0.242 3363 D C 0.631 176.946 176.300 0.024 0.000 1.129 3363 D CA 0.140 54.156 54.000 0.026 0.000 0.885 3363 D CB 1.320 42.141 40.800 0.035 0.000 1.198 3363 D HN 0.496 nan 8.370 nan 0.000 0.437 3364 D N 3.135 123.542 120.400 0.012 0.000 2.190 3364 D HA -0.169 4.471 4.640 0.000 0.000 0.200 3364 D C 1.911 178.208 176.300 -0.005 0.000 0.992 3364 D CA 0.765 54.766 54.000 0.001 0.000 0.854 3364 D CB 0.261 41.054 40.800 -0.012 0.000 0.936 3364 D HN 0.342 nan 8.370 nan 0.000 0.462 3365 L N 1.004 122.225 121.223 -0.003 0.000 2.056 3365 L HA -0.074 4.266 4.340 0.000 0.000 0.207 3365 L C 2.524 179.422 176.870 0.046 0.000 1.078 3365 L CA 1.223 56.049 54.840 -0.023 0.000 0.749 3365 L CB -1.066 41.010 42.059 0.028 0.000 0.901 3365 L HN -0.051 nan 8.230 nan 0.000 0.433 3366 A N -1.333 121.552 122.820 0.108 0.000 1.930 3366 A HA -0.225 4.095 4.320 0.000 0.000 0.217 3366 A C 2.213 179.862 177.584 0.107 0.000 1.175 3366 A CA 1.325 53.455 52.037 0.155 0.000 0.627 3366 A CB -0.433 18.630 19.000 0.105 0.000 0.815 3366 A HN 0.525 nan 8.150 nan 0.000 0.443 3367 Q N -1.280 118.553 119.800 0.056 0.000 2.084 3367 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 3367 Q C 2.156 178.169 176.000 0.022 0.000 0.978 3367 Q CA 1.531 57.351 55.803 0.029 0.000 0.844 3367 Q CB -0.392 28.356 28.738 0.017 0.000 0.898 3367 Q HN 0.910 nan 8.270 nan 0.000 0.426 3368 H N -0.252 118.764 119.070 -0.090 0.000 2.293 3368 H HA -0.163 4.393 4.556 0.000 0.000 0.300 3368 H C 1.548 176.816 175.328 -0.100 0.000 1.082 3368 H CA 1.589 57.546 56.048 -0.151 0.000 1.308 3368 H CB -0.056 29.529 29.762 -0.295 0.000 1.375 3368 H HN 0.266 nan 8.280 nan 0.000 0.495 3369 Y N 0.910 121.228 120.300 0.030 0.000 2.274 3369 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 3369 Y C 2.963 178.815 175.900 -0.080 0.000 1.145 3369 Y CA 0.637 58.719 58.100 -0.030 0.000 1.203 3369 Y CB -0.523 37.975 38.460 0.063 0.000 0.984 3369 Y HN 0.155 nan 8.280 nan 0.000 0.533 3370 L N -1.113 120.163 121.223 0.089 0.000 2.046 3370 L HA -0.236 4.104 4.340 0.000 0.000 0.208 3370 L C 2.642 179.491 176.870 -0.034 0.000 1.077 3370 L CA 1.221 56.073 54.840 0.020 0.000 0.747 3370 L CB -0.814 41.250 42.059 0.009 0.000 0.896 3370 L HN 0.192 nan 8.230 nan 0.000 0.432 3371 A N -0.444 122.328 122.820 -0.080 0.000 1.933 3371 A HA -0.168 4.152 4.320 0.000 0.000 0.218 3371 A C 2.249 179.759 177.584 -0.124 0.000 1.175 3371 A CA 1.381 53.353 52.037 -0.108 0.000 0.628 3371 A CB -0.234 18.685 19.000 -0.135 0.000 0.814 3371 A HN 0.195 nan 8.150 nan 0.000 0.444 3372 K N -0.047 120.249 120.400 -0.173 0.000 2.296 3372 K HA -0.003 4.317 4.320 0.000 0.000 0.200 3372 K C 1.151 177.725 176.600 -0.043 0.000 1.048 3372 K CA 0.640 56.852 56.287 -0.125 0.000 0.966 3372 K CB -0.055 32.355 32.500 -0.150 0.000 0.754 3372 K HN 0.475 nan 8.250 nan 0.000 0.466 3373 E N -0.107 120.079 120.200 -0.024 0.000 2.489 3373 E HA 0.023 4.373 4.350 0.000 0.000 0.193 3373 E C 0.742 177.330 176.600 -0.020 0.000 1.057 3373 E CA 0.351 56.744 56.400 -0.012 0.000 0.866 3373 E CB 0.211 29.910 29.700 -0.002 0.000 0.916 3373 E HN 0.433 nan 8.360 nan 0.000 0.500 3374 G N 1.875 110.657 108.800 -0.030 0.000 2.147 3374 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 3374 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 3374 G C 0.243 175.124 174.900 -0.031 0.000 1.005 3374 G CA 0.146 45.228 45.100 -0.029 0.000 0.713 3374 G HN 0.257 nan 8.290 nan 0.000 0.515 3375 I N 1.150 121.699 120.570 -0.034 0.000 2.315 3375 I HA 0.442 4.612 4.170 0.000 0.000 0.291 3375 I C 1.018 177.100 176.117 -0.059 0.000 1.006 3375 I CA -1.143 60.132 61.300 -0.041 0.000 1.265 3375 I CB 1.563 39.543 38.000 -0.033 0.000 1.387 3375 I HN 0.151 nan 8.210 nan 0.000 0.475 3376 V N 3.826 123.694 119.914 -0.076 0.000 2.644 3376 V HA 0.937 5.058 4.120 0.000 0.000 0.295 3376 V C 0.050 176.043 176.094 -0.167 0.000 1.053 3376 V CA -0.227 62.011 62.300 -0.103 0.000 0.987 3376 V CB 1.265 33.030 31.823 -0.097 0.000 1.006 3376 V HN 0.855 nan 8.190 nan 0.000 0.472 3377 A N 3.234 125.950 122.820 -0.173 0.000 2.594 3377 A HA 1.004 5.324 4.320 0.000 0.000 0.295 3377 A C -0.468 177.000 177.584 -0.193 0.000 1.071 3377 A CA -0.330 51.577 52.037 -0.217 0.000 0.685 3377 A CB 1.742 20.669 19.000 -0.122 0.000 1.285 3377 A HN 2.449 nan 8.150 nan 0.000 0.405 3378 A N 1.434 124.120 122.820 -0.224 0.000 2.398 3378 A HA 0.764 5.084 4.320 0.000 0.000 0.301 3378 A C -0.153 177.428 177.584 -0.005 0.000 1.041 3378 A CA -0.551 51.434 52.037 -0.088 0.000 0.711 3378 A CB 0.944 19.916 19.000 -0.047 0.000 1.240 3378 A HN 1.352 nan 8.150 nan 0.000 0.420 3379 R N 1.691 122.201 120.500 0.016 0.000 2.608 3379 R HA 0.731 5.071 4.340 0.000 0.000 0.255 3379 R C -0.346 175.982 176.300 0.048 0.000 1.086 3379 R CA -0.742 55.378 56.100 0.033 0.000 1.125 3379 R CB 0.400 30.711 30.300 0.019 0.000 1.193 3379 R HN 0.504 nan 8.270 nan 0.000 0.553 3380 R N -0.943 119.582 120.500 0.043 0.000 3.516 3380 R HA -0.110 4.230 4.340 0.000 0.000 0.271 3380 R C -0.712 175.615 176.300 0.045 0.000 1.098 3380 R CA 0.571 56.693 56.100 0.037 0.000 0.732 3380 R CB -2.661 27.655 30.300 0.026 0.000 1.152 3380 R HN 0.527 nan 8.270 nan 0.000 0.455 3381 V N 1.510 121.464 119.914 0.067 0.000 2.572 3381 V HA 0.035 4.155 4.120 0.000 0.000 0.291 3381 V C 1.492 177.605 176.094 0.031 0.000 1.039 3381 V CA -0.129 62.215 62.300 0.073 0.000 1.055 3381 V CB 1.166 33.069 31.823 0.134 0.000 0.969 3381 V HN 0.148 nan 8.190 nan 0.000 0.482 3382 K N 4.139 124.545 120.400 0.010 0.000 2.484 3382 K HA -0.026 4.295 4.320 0.000 0.000 0.280 3382 K C 1.377 177.968 176.600 -0.015 0.000 1.013 3382 K CA 0.091 56.374 56.287 -0.006 0.000 1.029 3382 K CB 0.321 32.810 32.500 -0.017 0.000 0.902 3382 K HN 0.710 nan 8.250 nan 0.000 0.481 3383 K N 2.299 122.692 120.400 -0.010 0.000 2.113 3383 K HA -0.219 4.102 4.320 0.000 0.000 0.208 3383 K C 1.863 178.446 176.600 -0.028 0.000 1.047 3383 K CA 2.026 58.304 56.287 -0.014 0.000 0.928 3383 K CB -0.139 32.356 32.500 -0.008 0.000 0.716 3383 K HN 0.619 nan 8.250 nan 0.000 0.446 3384 S N 0.652 116.333 115.700 -0.031 0.000 2.368 3384 S HA -0.156 4.314 4.470 0.000 0.000 0.225 3384 S C 1.349 175.911 174.600 -0.062 0.000 1.030 3384 S CA 1.735 59.911 58.200 -0.040 0.000 0.999 3384 S CB -0.340 62.839 63.200 -0.036 0.000 0.844 3384 S HN 0.372 nan 8.310 nan 0.000 0.459 3385 D N 0.858 121.214 120.400 -0.074 0.000 2.144 3385 D HA -0.034 4.606 4.640 0.000 0.000 0.200 3385 D C 1.975 178.182 176.300 -0.155 0.000 0.978 3385 D CA 0.877 54.805 54.000 -0.120 0.000 0.833 3385 D CB -0.235 40.492 40.800 -0.121 0.000 0.961 3385 D HN 0.375 nan 8.370 nan 0.000 0.470 3386 M N 0.476 120.012 119.600 -0.106 0.000 2.159 3386 M HA -0.089 4.392 4.480 0.000 0.000 0.263 3386 M C 1.881 178.131 176.300 -0.084 0.000 1.063 3386 M CA 1.195 56.439 55.300 -0.093 0.000 1.110 3386 M CB -0.735 31.845 32.600 -0.034 0.000 1.374 3386 M HN 0.111 nan 8.290 nan 0.000 0.411 3387 E N -0.003 120.157 120.200 -0.067 0.000 2.107 3387 E HA -0.135 4.215 4.350 0.000 0.000 0.191 3387 E C 2.011 178.571 176.600 -0.068 0.000 0.982 3387 E CA 0.824 57.191 56.400 -0.054 0.000 0.809 3387 E CB 0.021 29.697 29.700 -0.040 0.000 0.756 3387 E HN 0.499 nan 8.360 nan 0.000 0.459 3388 K N 0.534 120.881 120.400 -0.088 0.000 2.148 3388 K HA -0.059 4.261 4.320 0.000 0.000 0.204 3388 K C 2.108 178.638 176.600 -0.117 0.000 1.050 3388 K CA 0.639 56.868 56.287 -0.095 0.000 0.942 3388 K CB 0.030 32.468 32.500 -0.104 0.000 0.724 3388 K HN 0.088 nan 8.250 nan 0.000 0.446 3389 L N 0.367 121.493 121.223 -0.161 0.000 2.093 3389 L HA -0.148 4.192 4.340 0.000 0.000 0.208 3389 L C 2.545 179.355 176.870 -0.101 0.000 1.085 3389 L CA 0.995 55.722 54.840 -0.188 0.000 0.755 3389 L CB -0.491 41.370 42.059 -0.329 0.000 0.904 3389 L HN 0.183 nan 8.230 nan 0.000 0.435 3390 A N 0.227 123.003 122.820 -0.073 0.000 1.877 3390 A HA -0.212 4.108 4.320 0.000 0.000 0.216 3390 A C 2.323 179.891 177.584 -0.026 0.000 1.186 3390 A CA 1.686 53.702 52.037 -0.035 0.000 0.620 3390 A CB -0.300 18.685 19.000 -0.026 0.000 0.822 3390 A HN 0.316 nan 8.150 nan 0.000 0.443 3391 K N -0.436 119.943 120.400 -0.035 0.000 2.103 3391 K HA 0.068 4.388 4.320 0.000 0.000 0.204 3391 K C 2.340 178.923 176.600 -0.028 0.000 1.052 3391 K CA 0.937 57.208 56.287 -0.026 0.000 0.945 3391 K CB -0.256 32.224 32.500 -0.032 0.000 0.722 3391 K HN 0.426 nan 8.250 nan 0.000 0.443 3392 A N 1.345 124.139 122.820 -0.044 0.000 1.840 3392 A HA -0.146 4.174 4.320 0.000 0.000 0.214 3392 A C 2.329 179.901 177.584 -0.021 0.000 1.198 3392 A CA 2.213 54.223 52.037 -0.045 0.000 0.608 3392 A CB -1.098 17.866 19.000 -0.059 0.000 0.839 3392 A HN 0.437 nan 8.150 nan 0.000 0.443 3393 T N -4.156 110.389 114.554 -0.016 0.000 3.043 3393 T HA 0.356 4.706 4.350 0.000 0.000 0.263 3393 T C 1.424 176.137 174.700 0.021 0.000 1.094 3393 T CA 1.245 63.350 62.100 0.009 0.000 1.127 3393 T CB -0.155 68.723 68.868 0.017 0.000 0.905 3393 T HN 1.853 nan 8.240 nan 0.000 0.490 3394 G N 1.349 110.158 108.800 0.014 0.000 2.137 3394 G HA2 -0.000 3.960 3.960 0.000 0.000 0.237 3394 G HA3 -0.000 3.960 3.960 0.000 0.000 0.237 3394 G C 0.220 175.131 174.900 0.020 0.000 1.002 3394 G CA -0.039 45.074 45.100 0.022 0.000 0.702 3394 G HN 1.175 nan 8.290 nan 0.000 0.515 3395 A N -0.386 122.444 122.820 0.016 0.000 2.407 3395 A HA 0.623 4.943 4.320 0.000 0.000 0.248 3395 A C 0.418 178.012 177.584 0.016 0.000 1.082 3395 A CA 0.375 52.425 52.037 0.023 0.000 0.785 3395 A CB 0.475 19.494 19.000 0.032 0.000 1.020 3395 A HN 0.773 nan 8.150 nan 0.000 0.489 3396 N N 1.218 119.931 118.700 0.021 0.000 2.421 3396 N HA 0.371 5.111 4.740 0.000 0.000 0.285 3396 N C -0.879 174.643 175.510 0.019 0.000 1.027 3396 N CA -0.364 52.696 53.050 0.017 0.000 0.918 3396 N CB 1.307 39.804 38.487 0.016 0.000 1.152 3396 N HN 0.281 nan 8.380 nan 0.000 0.485 3397 V N 4.901 124.823 119.914 0.014 0.000 2.446 3397 V HA 0.180 4.300 4.120 0.000 0.000 0.276 3397 V C 0.257 176.361 176.094 0.018 0.000 1.030 3397 V CA -0.086 62.224 62.300 0.016 0.000 1.033 3397 V CB -0.269 31.559 31.823 0.008 0.000 0.993 3397 V HN 0.514 nan 8.190 nan 0.000 0.477 3398 I N 4.011 124.595 120.570 0.024 0.000 2.474 3398 I HA 0.455 4.625 4.170 0.000 0.000 0.294 3398 I C 0.976 177.106 176.117 0.022 0.000 1.005 3398 I CA -0.374 60.939 61.300 0.022 0.000 1.113 3398 I CB 1.477 39.491 38.000 0.023 0.000 1.289 3398 I HN 0.602 nan 8.210 nan 0.000 0.436 3399 A N 5.487 128.317 122.820 0.018 0.000 1.840 3399 A HA 0.360 4.680 4.320 0.000 0.000 0.214 3399 A C 1.109 178.704 177.584 0.018 0.000 1.198 3399 A CA 1.112 53.160 52.037 0.017 0.000 0.608 3399 A CB -0.155 18.853 19.000 0.014 0.000 0.839 3399 A HN 0.732 nan 8.150 nan 0.000 0.443 3400 A N -1.102 121.728 122.820 0.017 0.000 2.312 3400 A HA 0.651 4.971 4.320 0.000 0.000 0.328 3400 A C 0.824 178.418 177.584 0.016 0.000 1.158 3400 A CA -0.571 51.476 52.037 0.016 0.000 0.821 3400 A CB 0.400 19.408 19.000 0.013 0.000 1.170 3400 A HN 0.347 nan 8.150 nan 0.000 0.490 3401 I N 1.483 122.063 120.570 0.016 0.000 2.226 3401 I HA -0.287 3.883 4.170 0.000 0.000 0.245 3401 I C 2.780 178.904 176.117 0.012 0.000 1.100 3401 I CA 1.750 63.059 61.300 0.015 0.000 1.374 3401 I CB -0.270 37.738 38.000 0.015 0.000 1.057 3401 I HN 0.761 nan 8.210 nan 0.000 0.413 3402 A N 0.728 123.554 122.820 0.010 0.000 1.978 3402 A HA -0.183 4.137 4.320 0.000 0.000 0.220 3402 A C 2.447 180.035 177.584 0.008 0.000 1.170 3402 A CA 1.869 53.910 52.037 0.007 0.000 0.636 3402 A CB -0.716 18.288 19.000 0.006 0.000 0.810 3402 A HN 0.457 nan 8.150 nan 0.000 0.448 3403 A N -0.744 122.081 122.820 0.010 0.000 2.168 3403 A HA 0.308 4.628 4.320 0.000 0.000 0.215 3403 A C 0.991 178.582 177.584 0.011 0.000 1.152 3403 A CA -0.024 52.019 52.037 0.010 0.000 0.716 3403 A CB -0.466 18.541 19.000 0.011 0.000 0.794 3403 A HN 0.460 nan 8.150 nan 0.000 0.465 3404 L N 1.455 122.685 121.223 0.013 0.000 2.490 3404 L HA 0.214 4.554 4.340 0.000 0.000 0.274 3404 L C 0.668 177.544 176.870 0.011 0.000 1.201 3404 L CA 0.253 55.101 54.840 0.014 0.000 0.869 3404 L CB 0.569 42.638 42.059 0.015 0.000 1.123 3404 L HN 0.491 nan 8.230 nan 0.000 0.484 3405 S N 1.207 116.914 115.700 0.013 0.000 2.625 3405 S HA 0.569 5.039 4.470 0.000 0.000 0.271 3405 S C 0.357 174.964 174.600 0.013 0.000 1.161 3405 S CA -0.291 57.915 58.200 0.011 0.000 0.820 3405 S CB 1.520 64.725 63.200 0.009 0.000 1.137 3405 S HN 0.602 nan 8.310 nan 0.000 0.470 3406 A N 0.571 123.398 122.820 0.011 0.000 1.978 3406 A HA -0.133 4.187 4.320 0.000 0.000 0.220 3406 A C 2.057 179.650 177.584 0.014 0.000 1.170 3406 A CA 2.023 54.068 52.037 0.013 0.000 0.636 3406 A CB -1.110 17.896 19.000 0.010 0.000 0.810 3406 A HN 0.901 nan 8.150 nan 0.000 0.448 3407 Q N -0.794 119.013 119.800 0.012 0.000 2.369 3407 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 3407 Q C 0.533 176.542 176.000 0.015 0.000 0.963 3407 Q CA 1.292 57.103 55.803 0.013 0.000 0.894 3407 Q CB 0.007 28.751 28.738 0.010 0.000 0.965 3407 Q HN 0.610 nan 8.270 nan 0.000 0.475 3408 D N -0.147 120.263 120.400 0.017 0.000 2.354 3408 D HA 0.079 4.719 4.640 0.000 0.000 0.209 3408 D C 0.122 176.437 176.300 0.025 0.000 1.015 3408 D CA 0.211 54.223 54.000 0.019 0.000 0.867 3408 D CB 0.392 41.203 40.800 0.019 0.000 0.933 3408 D HN 0.272 nan 8.370 nan 0.000 0.520 3409 L N 0.706 121.945 121.223 0.027 0.000 2.395 3409 L HA 0.397 4.737 4.340 0.000 0.000 0.269 3409 L C 1.194 178.084 176.870 0.034 0.000 1.133 3409 L CA -0.502 54.358 54.840 0.034 0.000 0.812 3409 L CB 1.204 43.282 42.059 0.032 0.000 1.125 3409 L HN -0.138 nan 8.230 nan 0.000 0.452 3410 G N 0.531 109.357 108.800 0.043 0.000 2.491 3410 G HA2 0.499 4.459 3.960 0.000 0.000 0.327 3410 G HA3 0.499 4.459 3.960 0.000 0.000 0.327 3410 G C -1.341 173.587 174.900 0.046 0.000 1.189 3410 G CA -0.424 44.701 45.100 0.041 0.000 0.956 3410 G HN 0.519 nan 8.290 nan 0.000 0.491 3411 D N -0.327 120.099 120.400 0.042 0.000 2.362 3411 D HA 0.657 5.297 4.640 0.000 0.000 0.247 3411 D C -0.269 176.059 176.300 0.046 0.000 1.050 3411 D CA 0.058 54.084 54.000 0.043 0.000 0.839 3411 D CB 1.979 42.801 40.800 0.037 0.000 1.283 3411 D HN 0.590 nan 8.370 nan 0.000 0.477 3412 A N 0.425 123.276 122.820 0.051 0.000 2.486 3412 A HA 0.649 4.969 4.320 0.000 0.000 0.300 3412 A C 1.001 178.614 177.584 0.049 0.000 1.048 3412 A CA -0.407 51.662 52.037 0.053 0.000 0.696 3412 A CB 1.670 20.712 19.000 0.071 0.000 1.278 3412 A HN 0.487 nan 8.150 nan 0.000 0.405 3413 G N 0.180 109.006 108.800 0.044 0.000 2.402 3413 G HA2 0.312 4.272 3.960 0.000 0.000 0.216 3413 G HA3 0.312 4.272 3.960 0.000 0.000 0.216 3413 G C 0.279 175.203 174.900 0.040 0.000 1.162 3413 G CA 1.659 46.782 45.100 0.038 0.000 0.777 3413 G HN 1.177 nan 8.290 nan 0.000 0.539 3414 L N -0.156 121.098 121.223 0.051 0.000 2.493 3414 L HA 0.639 4.979 4.340 0.000 0.000 0.265 3414 L C -1.413 175.507 176.870 0.083 0.000 0.954 3414 L CA -0.800 54.073 54.840 0.055 0.000 0.844 3414 L CB 2.545 44.630 42.059 0.043 0.000 1.302 3414 L HN -0.133 nan 8.230 nan 0.000 0.405 3415 V N 4.220 124.184 119.914 0.084 0.000 2.407 3415 V HA 0.637 4.758 4.120 0.000 0.000 0.291 3415 V C -0.535 175.617 176.094 0.096 0.000 1.018 3415 V CA -0.440 61.929 62.300 0.114 0.000 0.842 3415 V CB 1.455 33.347 31.823 0.114 0.000 0.996 3415 V HN 0.827 nan 8.190 nan 0.000 0.426 3416 E N 3.187 123.467 120.200 0.133 0.000 2.292 3416 E HA 0.412 4.762 4.350 0.000 0.000 0.272 3416 E C -1.038 175.658 176.600 0.160 0.000 0.881 3416 E CA -0.656 55.805 56.400 0.102 0.000 0.754 3416 E CB 2.194 31.922 29.700 0.047 0.000 1.201 3416 E HN 0.751 nan 8.360 nan 0.000 0.425 3417 E N 4.310 124.575 120.200 0.108 0.000 2.130 3417 E HA 0.261 4.611 4.350 0.000 0.000 0.284 3417 E C -0.898 175.761 176.600 0.097 0.000 1.018 3417 E CA -0.286 56.189 56.400 0.125 0.000 0.817 3417 E CB 0.698 30.442 29.700 0.072 0.000 1.078 3417 E HN 0.354 nan 8.360 nan 0.000 0.396 3418 R N 3.427 124.021 120.500 0.158 0.000 2.807 3418 R HA 0.381 4.721 4.340 0.000 0.000 0.276 3418 R C -0.740 175.631 176.300 0.118 0.000 0.979 3418 R CA -0.964 55.178 56.100 0.070 0.000 0.928 3418 R CB 1.880 32.116 30.300 -0.106 0.000 1.191 3418 R HN 0.321 nan 8.270 nan 0.000 0.471 3419 K N 2.489 122.923 120.400 0.057 0.000 2.262 3419 K HA 0.335 4.655 4.320 0.000 0.000 0.282 3419 K C -0.483 176.157 176.600 0.066 0.000 1.066 3419 K CA -0.328 55.995 56.287 0.061 0.000 0.901 3419 K CB 0.793 33.311 32.500 0.031 0.000 1.089 3419 K HN 0.255 nan 8.250 nan 0.000 0.476 3420 I N 2.523 123.154 120.570 0.100 0.000 2.359 3420 I HA 0.051 4.221 4.170 0.000 0.000 0.284 3420 I C 0.700 176.854 176.117 0.061 0.000 1.018 3420 I CA -0.179 61.182 61.300 0.101 0.000 1.173 3420 I CB 0.656 38.761 38.000 0.175 0.000 1.326 3420 I HN 0.727 nan 8.210 nan 0.000 0.462 3421 S N 4.551 120.275 115.700 0.041 0.000 3.635 3421 S HA -0.212 4.258 4.470 0.000 0.000 0.328 3421 S C 1.389 176.002 174.600 0.022 0.000 1.135 3421 S CA 1.543 59.759 58.200 0.025 0.000 0.942 3421 S CB -1.046 62.167 63.200 0.022 0.000 0.930 3421 S HN 1.472 nan 8.310 nan 0.000 0.512 3422 G N -0.049 108.766 108.800 0.025 0.000 2.363 3422 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 3422 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 3422 G C -0.295 174.622 174.900 0.028 0.000 1.062 3422 G CA 0.306 45.419 45.100 0.022 0.000 0.629 3422 G HN 0.686 nan 8.290 nan 0.000 0.514 3423 D N 1.893 122.312 120.400 0.032 0.000 2.425 3423 D HA 0.460 5.100 4.640 0.000 0.000 0.247 3423 D C 1.020 177.352 176.300 0.053 0.000 1.147 3423 D CA 0.823 54.844 54.000 0.034 0.000 0.879 3423 D CB 1.275 42.092 40.800 0.027 0.000 1.179 3423 D HN 0.652 nan 8.370 nan 0.000 0.456 3424 S N 2.389 118.117 115.700 0.048 0.000 2.488 3424 S HA 0.461 4.931 4.470 0.000 0.000 0.278 3424 S C 0.129 174.771 174.600 0.070 0.000 1.259 3424 S CA -0.610 57.628 58.200 0.063 0.000 1.061 3424 S CB 0.502 63.730 63.200 0.046 0.000 0.910 3424 S HN 0.365 nan 8.310 nan 0.000 0.491 3425 M N 2.901 122.570 119.600 0.115 0.000 2.550 3425 M HA 0.517 4.997 4.480 0.000 0.000 0.292 3425 M C -1.094 175.296 176.300 0.150 0.000 1.221 3425 M CA -0.576 54.775 55.300 0.084 0.000 0.873 3425 M CB 2.283 34.907 32.600 0.040 0.000 1.727 3425 M HN 0.549 nan 8.290 nan 0.000 0.459 3426 I N 1.781 122.384 120.570 0.056 0.000 2.362 3426 I HA 0.367 4.538 4.170 0.000 0.000 0.289 3426 I C -1.332 174.794 176.117 0.016 0.000 0.994 3426 I CA -0.389 60.995 61.300 0.140 0.000 1.158 3426 I CB 1.067 39.172 38.000 0.177 0.000 1.315 3426 I HN 0.467 nan 8.210 nan 0.000 0.451 3427 F N 6.114 126.102 119.950 0.062 0.000 2.334 3427 F HA 0.333 4.860 4.527 0.000 0.000 0.367 3427 F C 0.130 175.965 175.800 0.060 0.000 1.115 3427 F CA -0.676 57.351 58.000 0.046 0.000 1.116 3427 F CB 1.226 40.243 39.000 0.028 0.000 1.230 3427 F HN 0.037 nan 8.300 nan 0.000 0.484 3428 V N 4.651 124.655 119.914 0.149 0.000 2.304 3428 V HA 0.315 4.435 4.120 0.000 0.000 0.269 3428 V C -0.136 176.013 176.094 0.092 0.000 1.036 3428 V CA -0.516 61.858 62.300 0.124 0.000 0.840 3428 V CB 0.343 32.217 31.823 0.084 0.000 1.036 3428 V HN 0.793 nan 8.190 nan 0.000 0.466 3429 E N 3.159 123.423 120.200 0.107 0.000 2.423 3429 E HA 0.609 4.959 4.350 0.000 0.000 0.269 3429 E C -0.726 175.910 176.600 0.060 0.000 0.948 3429 E CA -0.856 55.596 56.400 0.086 0.000 0.802 3429 E CB 1.568 31.338 29.700 0.117 0.000 1.339 3429 E HN 0.206 nan 8.360 nan 0.000 0.445 3430 E N -0.794 119.433 120.200 0.045 0.000 2.416 3430 E HA -0.150 4.200 4.350 0.000 0.000 0.249 3430 E C -0.725 175.894 176.600 0.032 0.000 1.124 3430 E CA 0.570 56.990 56.400 0.034 0.000 0.732 3430 E CB -2.290 27.430 29.700 0.034 0.000 1.286 3430 E HN 0.567 nan 8.360 nan 0.000 0.394 3431 C N 0.640 119.955 119.300 0.026 0.000 2.676 3431 C HA 0.068 4.528 4.460 0.000 0.000 0.416 3431 C C 2.282 177.291 174.990 0.031 0.000 1.299 3431 C CA -0.156 58.876 59.018 0.024 0.000 2.048 3431 C CB 0.450 28.194 27.740 0.006 0.000 2.713 3431 C HN 0.410 nan 8.230 nan 0.000 0.624 3432 K N 0.629 121.058 120.400 0.047 0.000 1.969 3432 K HA -0.145 4.175 4.320 0.000 0.000 0.216 3432 K C 0.601 177.270 176.600 0.115 0.000 1.048 3432 K CA 1.714 58.043 56.287 0.070 0.000 0.948 3432 K CB -0.124 32.418 32.500 0.070 0.000 0.726 3432 K HN 0.749 nan 8.250 nan 0.000 0.442 3433 H N 0.621 119.695 119.070 0.006 0.000 2.569 3433 H HA 0.217 4.773 4.556 0.000 0.000 0.247 3433 H C -2.676 172.653 175.328 0.001 0.000 1.346 3433 H CA -2.319 53.732 56.048 0.004 0.000 1.502 3433 H CB 0.539 30.303 29.762 0.003 0.000 1.512 3433 H HN -0.020 nan 8.280 nan 0.000 0.502 3434 P HA 0.075 nan 4.420 nan 0.000 0.271 3434 P C 0.317 177.478 177.300 -0.232 0.000 1.220 3434 P CA -0.264 62.747 63.100 -0.147 0.000 0.768 3434 P CB 1.668 33.309 31.700 -0.099 0.000 0.848 3435 K N 1.618 121.939 120.400 -0.131 0.000 2.374 3435 K HA 0.317 4.637 4.320 0.000 0.000 0.196 3435 K C -0.040 176.515 176.600 -0.075 0.000 1.023 3435 K CA -0.081 56.145 56.287 -0.102 0.000 1.103 3435 K CB 0.361 32.839 32.500 -0.037 0.000 0.848 3435 K HN 0.576 nan 8.250 nan 0.000 0.528 3436 A N 0.955 123.730 122.820 -0.075 0.000 2.427 3436 A HA 0.528 4.848 4.320 0.000 0.000 0.298 3436 A C -0.941 176.604 177.584 -0.065 0.000 1.036 3436 A CA -0.740 51.259 52.037 -0.063 0.000 0.701 3436 A CB 1.467 20.430 19.000 -0.061 0.000 1.250 3436 A HN 0.042 nan 8.150 nan 0.000 0.412 3437 V N -0.795 119.085 119.914 -0.057 0.000 3.074 3437 V HA 0.969 5.089 4.120 0.000 0.000 0.314 3437 V C -0.429 175.636 176.094 -0.049 0.000 1.117 3437 V CA -0.612 61.659 62.300 -0.049 0.000 1.014 3437 V CB 1.722 33.521 31.823 -0.041 0.000 1.057 3437 V HN 0.826 nan 8.190 nan 0.000 0.438 3438 T N 3.977 118.504 114.554 -0.045 0.000 2.841 3438 T HA 0.552 4.902 4.350 0.000 0.000 0.285 3438 T C -0.572 174.109 174.700 -0.032 0.000 0.991 3438 T CA -0.208 61.860 62.100 -0.053 0.000 0.966 3438 T CB 1.358 70.173 68.868 -0.089 0.000 0.962 3438 T HN 0.956 nan 8.240 nan 0.000 0.438 3439 M N 4.625 124.208 119.600 -0.028 0.000 2.101 3439 M HA 0.544 5.024 4.480 0.000 0.000 0.340 3439 M C -1.421 174.873 176.300 -0.010 0.000 1.057 3439 M CA -1.087 54.207 55.300 -0.009 0.000 0.984 3439 M CB 0.564 33.159 32.600 -0.008 0.000 1.560 3439 M HN 0.484 nan 8.290 nan 0.000 0.435 3440 L N 7.059 128.289 121.223 0.013 0.000 2.257 3440 L HA 0.518 4.858 4.340 0.000 0.000 0.290 3440 L C -1.386 175.502 176.870 0.030 0.000 1.044 3440 L CA -0.034 54.819 54.840 0.022 0.000 0.810 3440 L CB 0.806 42.908 42.059 0.071 0.000 1.193 3440 L HN 0.674 nan 8.230 nan 0.000 0.425 3441 I N 5.965 126.545 120.570 0.017 0.000 2.331 3441 I HA 0.480 4.651 4.170 0.000 0.000 0.292 3441 I C 0.163 176.294 176.117 0.022 0.000 0.998 3441 I CA -0.074 61.236 61.300 0.017 0.000 1.267 3441 I CB 0.686 38.692 38.000 0.009 0.000 1.386 3441 I HN 0.522 nan 8.210 nan 0.000 0.476 3442 R N 3.993 124.507 120.500 0.024 0.000 2.873 3442 R HA 0.944 5.284 4.340 0.000 0.000 0.264 3442 R C -0.231 176.080 176.300 0.019 0.000 1.026 3442 R CA -1.153 54.961 56.100 0.024 0.000 1.002 3442 R CB 1.797 32.114 30.300 0.028 0.000 1.174 3442 R HN 0.821 nan 8.270 nan 0.000 0.488 3443 G N -0.872 107.938 108.800 0.017 0.000 2.340 3443 G HA2 0.061 4.021 3.960 0.000 0.000 0.298 3443 G HA3 0.061 4.021 3.960 0.000 0.000 0.298 3443 G C -0.009 174.900 174.900 0.015 0.000 1.498 3443 G CA -0.560 44.550 45.100 0.017 0.000 0.847 3443 G HN 0.303 nan 8.290 nan 0.000 0.594 3444 T N 0.372 114.936 114.554 0.017 0.000 2.915 3444 T HA 0.200 4.550 4.350 0.000 0.000 0.269 3444 T C 0.865 175.575 174.700 0.015 0.000 1.071 3444 T CA 2.027 64.137 62.100 0.016 0.000 1.132 3444 T CB -0.162 68.717 68.868 0.019 0.000 0.878 3444 T HN 0.666 nan 8.240 nan 0.000 0.479 3445 T N -0.172 114.392 114.554 0.017 0.000 2.889 3445 T HA 0.280 4.630 4.350 0.000 0.000 0.315 3445 T C 0.604 175.297 174.700 -0.012 0.000 1.291 3445 T CA -0.746 61.359 62.100 0.009 0.000 1.028 3445 T CB 2.550 71.441 68.868 0.038 0.000 1.235 3445 T HN -0.081 nan 8.240 nan 0.000 0.491 3446 E N 0.798 120.955 120.200 -0.073 0.000 2.086 3446 E HA -0.256 4.094 4.350 0.000 0.000 0.200 3446 E C 1.543 178.062 176.600 -0.136 0.000 1.012 3446 E CA 2.053 58.367 56.400 -0.144 0.000 0.812 3446 E CB -0.127 29.419 29.700 -0.258 0.000 0.743 3446 E HN 0.626 nan 8.360 nan 0.000 0.453 3447 H N -0.935 118.138 119.070 0.004 0.000 2.495 3447 H HA 0.014 4.570 4.556 0.000 0.000 0.287 3447 H C 2.123 177.453 175.328 0.004 0.000 1.033 3447 H CA 1.213 57.262 56.048 0.003 0.000 1.307 3447 H CB -0.010 29.753 29.762 0.002 0.000 1.401 3447 H HN 0.120 nan 8.280 nan 0.000 0.555 3448 V N 2.035 122.014 119.914 0.109 0.000 2.283 3448 V HA -0.211 3.909 4.120 0.000 0.000 0.243 3448 V C 2.673 178.793 176.094 0.043 0.000 1.039 3448 V CA 1.745 64.083 62.300 0.064 0.000 1.016 3448 V CB -0.571 31.280 31.823 0.046 0.000 0.650 3448 V HN 0.408 nan 8.190 nan 0.000 0.449 3449 I N -1.017 119.568 120.570 0.026 0.000 2.614 3449 I HA -0.161 4.009 4.170 0.000 0.000 0.258 3449 I C 2.256 178.382 176.117 0.016 0.000 1.189 3449 I CA 1.904 63.213 61.300 0.015 0.000 1.462 3449 I CB -0.520 37.483 38.000 0.003 0.000 1.092 3449 I HN 0.427 nan 8.210 nan 0.000 0.442 3450 E N 1.863 122.079 120.200 0.025 0.000 2.047 3450 E HA -0.293 4.057 4.350 0.000 0.000 0.191 3450 E C 2.210 178.834 176.600 0.040 0.000 0.987 3450 E CA 1.386 57.807 56.400 0.035 0.000 0.799 3450 E CB -0.100 29.642 29.700 0.069 0.000 0.752 3450 E HN 0.681 nan 8.360 nan 0.000 0.449 3451 E N -0.173 120.057 120.200 0.049 0.000 2.106 3451 E HA -0.146 4.204 4.350 0.000 0.000 0.192 3451 E C 2.069 178.684 176.600 0.025 0.000 0.984 3451 E CA 1.091 57.513 56.400 0.036 0.000 0.806 3451 E CB 0.245 29.968 29.700 0.037 0.000 0.750 3451 E HN 0.168 nan 8.360 nan 0.000 0.458 3452 V N 1.039 120.967 119.914 0.024 0.000 2.379 3452 V HA -0.209 3.911 4.120 0.000 0.000 0.245 3452 V C 2.428 178.529 176.094 0.013 0.000 1.044 3452 V CA 1.630 63.941 62.300 0.018 0.000 1.036 3452 V CB -0.653 31.181 31.823 0.018 0.000 0.664 3452 V HN 0.408 nan 8.190 nan 0.000 0.453 3453 A N 0.550 123.376 122.820 0.011 0.000 1.908 3453 A HA -0.292 4.028 4.320 0.000 0.000 0.218 3453 A C 2.304 179.892 177.584 0.005 0.000 1.181 3453 A CA 2.370 54.410 52.037 0.005 0.000 0.627 3453 A CB -0.537 18.464 19.000 0.002 0.000 0.818 3453 A HN 0.482 nan 8.150 nan 0.000 0.445 3454 R N 0.083 120.589 120.500 0.010 0.000 2.075 3454 R HA 0.010 4.350 4.340 0.000 0.000 0.232 3454 R C 2.152 178.457 176.300 0.008 0.000 1.126 3454 R CA 1.921 58.026 56.100 0.009 0.000 0.963 3454 R CB -0.842 29.465 30.300 0.012 0.000 0.858 3454 R HN 0.377 nan 8.270 nan 0.000 0.435 3455 A N 0.200 123.027 122.820 0.011 0.000 1.877 3455 A HA -0.122 4.198 4.320 0.000 0.000 0.216 3455 A C 2.241 179.830 177.584 0.008 0.000 1.186 3455 A CA 1.983 54.027 52.037 0.011 0.000 0.620 3455 A CB -0.952 18.057 19.000 0.015 0.000 0.822 3455 A HN 0.333 nan 8.150 nan 0.000 0.443 3456 V N -2.324 117.594 119.914 0.007 0.000 2.871 3456 V HA -0.130 3.990 4.120 0.000 0.000 0.256 3456 V C 1.927 178.021 176.094 0.001 0.000 1.082 3456 V CA 2.058 64.361 62.300 0.004 0.000 1.105 3456 V CB -0.709 31.116 31.823 0.003 0.000 0.713 3456 V HN 0.542 nan 8.190 nan 0.000 0.473 3457 D N 1.526 121.926 120.400 0.000 0.000 2.123 3457 D HA -0.258 4.382 4.640 0.000 0.000 0.196 3457 D C 1.602 177.902 176.300 -0.001 0.000 0.992 3457 D CA 2.262 56.261 54.000 -0.002 0.000 0.833 3457 D CB -0.069 40.730 40.800 -0.002 0.000 0.954 3457 D HN 0.612 nan 8.370 nan 0.000 0.455 3458 D N -0.033 120.367 120.400 0.002 0.000 2.149 3458 D HA -0.017 4.623 4.640 0.000 0.000 0.201 3458 D C 2.012 178.314 176.300 0.003 0.000 0.972 3458 D CA 1.203 55.205 54.000 0.003 0.000 0.835 3458 D CB -0.240 40.563 40.800 0.005 0.000 0.966 3458 D HN 0.240 nan 8.370 nan 0.000 0.476 3459 A N 0.407 123.229 122.820 0.004 0.000 1.933 3459 A HA -0.144 4.177 4.320 0.000 0.000 0.218 3459 A C 2.335 179.919 177.584 0.001 0.000 1.175 3459 A CA 1.064 53.103 52.037 0.004 0.000 0.628 3459 A CB -0.788 18.214 19.000 0.004 0.000 0.814 3459 A HN 0.149 nan 8.150 nan 0.000 0.444 3460 V N -0.075 119.838 119.914 -0.001 0.000 2.343 3460 V HA -0.182 3.938 4.120 0.000 0.000 0.247 3460 V C 2.805 178.898 176.094 -0.003 0.000 1.051 3460 V CA 1.887 64.185 62.300 -0.004 0.000 1.036 3460 V CB -1.436 30.383 31.823 -0.007 0.000 0.654 3460 V HN 0.618 nan 8.190 nan 0.000 0.451 3461 G N 0.549 109.348 108.800 -0.002 0.000 2.446 3461 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 3461 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 3461 G C 1.694 176.594 174.900 0.000 0.000 1.168 3461 G CA 1.672 46.771 45.100 -0.001 0.000 0.771 3461 G HN 0.603 nan 8.290 nan 0.000 0.551 3462 V N -1.721 118.193 119.914 0.001 0.000 2.788 3462 V HA 0.068 4.189 4.120 0.000 0.000 0.251 3462 V C 2.566 178.662 176.094 0.002 0.000 1.068 3462 V CA 1.170 63.472 62.300 0.003 0.000 1.090 3462 V CB -0.182 31.644 31.823 0.005 0.000 0.710 3462 V HN 0.123 nan 8.190 nan 0.000 0.467 3463 V N 1.846 121.761 119.914 0.001 0.000 2.719 3463 V HA 0.077 4.197 4.120 0.000 0.000 0.252 3463 V C 2.783 178.877 176.094 -0.000 0.000 1.065 3463 V CA 1.857 64.157 62.300 0.001 0.000 1.086 3463 V CB -0.819 31.003 31.823 -0.001 0.000 0.700 3463 V HN 0.616 nan 8.190 nan 0.000 0.467 3464 G N -1.233 107.567 108.800 -0.001 0.000 2.421 3464 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 3464 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 3464 G C 1.682 176.582 174.900 0.000 0.000 1.143 3464 G CA 1.157 46.256 45.100 -0.001 0.000 0.784 3464 G HN 0.527 nan 8.290 nan 0.000 0.541 3465 C N 0.620 119.921 119.300 0.001 0.000 2.429 3465 C HA -0.013 4.447 4.460 0.000 0.000 0.277 3465 C C 3.184 178.175 174.990 0.002 0.000 1.262 3465 C CA 1.514 60.533 59.018 0.002 0.000 1.733 3465 C CB -0.923 26.819 27.740 0.002 0.000 2.010 3465 C HN 0.414 nan 8.230 nan 0.000 0.483 3466 T N 1.033 115.588 114.554 0.003 0.000 2.915 3466 T HA -0.005 4.346 4.350 0.000 0.000 0.269 3466 T C 1.574 176.276 174.700 0.003 0.000 1.071 3466 T CA 1.061 63.163 62.100 0.003 0.000 1.132 3466 T CB -0.192 68.678 68.868 0.003 0.000 0.878 3466 T HN 0.504 nan 8.240 nan 0.000 0.479 3467 I N 0.528 121.099 120.570 0.003 0.000 2.333 3467 I HA -0.040 4.130 4.170 0.000 0.000 0.246 3467 I C 2.549 178.668 176.117 0.003 0.000 1.106 3467 I CA 1.117 62.419 61.300 0.003 0.000 1.411 3467 I CB -0.163 37.839 38.000 0.003 0.000 1.082 3467 I HN 0.244 nan 8.210 nan 0.000 0.420 3468 E N -0.081 120.121 120.200 0.003 0.000 2.072 3468 E HA -0.142 4.208 4.350 0.000 0.000 0.190 3468 E C 0.508 177.109 176.600 0.003 0.000 0.982 3468 E CA 0.719 57.121 56.400 0.003 0.000 0.803 3468 E CB 0.245 29.946 29.700 0.003 0.000 0.755 3468 E HN 0.191 nan 8.360 nan 0.000 0.453 3469 D N -0.585 119.817 120.400 0.003 0.000 2.454 3469 D HA 0.126 4.766 4.640 0.000 0.000 0.247 3469 D C -0.077 176.225 176.300 0.003 0.000 1.129 3469 D CA -0.302 53.700 54.000 0.003 0.000 0.877 3469 D CB 1.348 42.149 40.800 0.003 0.000 1.082 3469 D HN 0.088 nan 8.370 nan 0.000 0.537 3470 G N 3.209 112.011 108.800 0.003 0.000 3.332 3470 G HA2 0.031 3.991 3.960 0.000 0.000 0.242 3470 G HA3 0.031 3.991 3.960 0.000 0.000 0.242 3470 G C 0.476 175.378 174.900 0.004 0.000 1.276 3470 G CA -0.179 44.923 45.100 0.003 0.000 0.988 3470 G HN 0.204 nan 8.290 nan 0.000 0.517 3471 R N -0.342 120.160 120.500 0.004 0.000 2.562 3471 R HA 0.658 4.998 4.340 0.000 0.000 0.298 3471 R C -0.319 175.984 176.300 0.005 0.000 0.961 3471 R CA -0.639 55.464 56.100 0.005 0.000 0.881 3471 R CB 1.659 31.962 30.300 0.004 0.000 1.159 3471 R HN 0.294 nan 8.270 nan 0.000 0.450 3472 I N -0.918 119.655 120.570 0.007 0.000 3.145 3472 I HA 0.859 5.029 4.170 0.000 0.000 0.313 3472 I C -0.668 175.455 176.117 0.010 0.000 1.122 3472 I CA -1.254 60.051 61.300 0.008 0.000 0.987 3472 I CB 2.249 40.254 38.000 0.008 0.000 1.236 3472 I HN 0.336 nan 8.210 nan 0.000 0.453 3473 V N -0.255 119.666 119.914 0.013 0.000 3.049 3473 V HA 0.826 4.946 4.120 0.000 0.000 0.309 3473 V C 0.018 176.125 176.094 0.021 0.000 1.148 3473 V CA -0.380 61.931 62.300 0.017 0.000 0.990 3473 V CB 1.023 32.856 31.823 0.018 0.000 1.039 3473 V HN 1.178 nan 8.190 nan 0.000 0.430 3474 S N 1.949 117.666 115.700 0.028 0.000 2.576 3474 S HA 0.705 5.175 4.470 0.000 0.000 0.276 3474 S C 0.573 175.192 174.600 0.031 0.000 1.339 3474 S CA 0.178 58.397 58.200 0.032 0.000 1.039 3474 S CB 1.014 64.239 63.200 0.041 0.000 0.902 3474 S HN 1.826 nan 8.310 nan 0.000 0.516 3475 G N 0.147 108.966 108.800 0.031 0.000 2.630 3475 G HA2 0.532 4.492 3.960 0.000 0.000 0.223 3475 G HA3 0.532 4.492 3.960 0.000 0.000 0.223 3475 G C 0.925 175.842 174.900 0.028 0.000 1.434 3475 G CA -0.512 44.604 45.100 0.027 0.000 1.057 3475 G HN 2.055 nan 8.290 nan 0.000 0.570 3476 G N -2.047 106.768 108.800 0.025 0.000 2.153 3476 G HA2 0.221 4.181 3.960 0.000 0.000 0.252 3476 G HA3 0.221 4.181 3.960 0.000 0.000 0.252 3476 G C 1.525 176.423 174.900 -0.003 0.000 0.994 3476 G CA 1.157 46.268 45.100 0.020 0.000 0.698 3476 G HN 2.469 nan 8.290 nan 0.000 0.521 3477 G N -1.158 107.632 108.800 -0.017 0.000 2.168 3477 G HA2 -0.143 3.817 3.960 0.000 0.000 0.263 3477 G HA3 -0.143 3.817 3.960 0.000 0.000 0.263 3477 G C 1.500 176.357 174.900 -0.073 0.000 0.977 3477 G CA 1.767 46.840 45.100 -0.045 0.000 0.659 3477 G HN 1.981 nan 8.290 nan 0.000 0.533 3478 S N 0.086 115.762 115.700 -0.040 0.000 2.382 3478 S HA -0.160 4.311 4.470 0.000 0.000 0.228 3478 S C 2.799 177.337 174.600 -0.105 0.000 1.027 3478 S CA 2.656 60.821 58.200 -0.059 0.000 0.991 3478 S CB -0.593 62.679 63.200 0.120 0.000 0.823 3478 S HN 1.377 nan 8.310 nan 0.000 0.469 3479 T N 0.136 114.674 114.554 -0.027 0.000 2.569 3479 T HA -0.125 4.225 4.350 0.000 0.000 0.263 3479 T C 1.570 176.230 174.700 -0.066 0.000 1.074 3479 T CA 1.679 63.770 62.100 -0.014 0.000 1.176 3479 T CB -1.070 67.795 68.868 -0.004 0.000 0.863 3479 T HN 0.375 nan 8.240 nan 0.000 0.410 3480 E N 0.859 121.011 120.200 -0.080 0.000 2.219 3480 E HA -0.051 4.299 4.350 0.000 0.000 0.198 3480 E C 2.216 178.739 176.600 -0.128 0.000 0.998 3480 E CA 0.738 57.083 56.400 -0.092 0.000 0.818 3480 E CB -0.727 28.915 29.700 -0.096 0.000 0.741 3480 E HN 0.457 nan 8.360 nan 0.000 0.477 3481 V N 0.380 120.164 119.914 -0.216 0.000 2.453 3481 V HA -0.218 3.902 4.120 0.000 0.000 0.247 3481 V C 2.259 178.182 176.094 -0.285 0.000 1.048 3481 V CA 1.825 63.940 62.300 -0.309 0.000 1.049 3481 V CB -0.365 31.144 31.823 -0.524 0.000 0.672 3481 V HN 0.223 nan 8.190 nan 0.000 0.457 3482 E N 0.516 120.554 120.200 -0.269 0.000 2.051 3482 E HA -0.204 4.146 4.350 0.000 0.000 0.192 3482 E C 1.881 178.501 176.600 0.032 0.000 0.991 3482 E CA 1.448 57.883 56.400 0.059 0.000 0.799 3482 E CB -0.324 29.496 29.700 0.201 0.000 0.748 3482 E HN 0.368 nan 8.360 nan 0.000 0.449 3483 L N 0.357 121.578 121.223 -0.003 0.000 2.093 3483 L HA -0.052 4.288 4.340 0.000 0.000 0.208 3483 L C 2.410 179.294 176.870 0.022 0.000 1.085 3483 L CA 1.515 56.363 54.840 0.013 0.000 0.755 3483 L CB -0.879 41.185 42.059 0.010 0.000 0.904 3483 L HN 0.062 nan 8.230 nan 0.000 0.435 3484 S N -1.097 114.598 115.700 -0.009 0.000 2.356 3484 S HA -0.169 4.301 4.470 0.000 0.000 0.223 3484 S C 1.983 176.601 174.600 0.029 0.000 1.032 3484 S CA 1.227 59.428 58.200 0.001 0.000 1.005 3484 S CB -0.183 62.995 63.200 -0.037 0.000 0.867 3484 S HN 0.292 nan 8.310 nan 0.000 0.449 3485 M N 0.993 120.609 119.600 0.027 0.000 2.099 3485 M HA 0.007 4.487 4.480 0.000 0.000 0.262 3485 M C 1.997 178.336 176.300 0.064 0.000 1.067 3485 M CA 1.504 56.833 55.300 0.048 0.000 1.124 3485 M CB -1.167 31.472 32.600 0.064 0.000 1.353 3485 M HN 0.054 nan 8.290 nan 0.000 0.410 3486 K N 0.391 120.830 120.400 0.064 0.000 2.155 3486 K HA 0.072 4.393 4.320 0.000 0.000 0.203 3486 K C 1.960 178.621 176.600 0.101 0.000 1.052 3486 K CA 0.750 57.079 56.287 0.071 0.000 0.948 3486 K CB -0.428 32.101 32.500 0.048 0.000 0.728 3486 K HN 0.268 nan 8.250 nan 0.000 0.448 3487 L N -0.139 121.143 121.223 0.098 0.000 2.240 3487 L HA -0.057 4.283 4.340 0.000 0.000 0.211 3487 L C 2.113 179.094 176.870 0.185 0.000 1.106 3487 L CA 0.849 55.781 54.840 0.153 0.000 0.793 3487 L CB -0.171 41.978 42.059 0.150 0.000 0.927 3487 L HN 0.113 nan 8.230 nan 0.000 0.446 3488 R N 0.141 120.716 120.500 0.125 0.000 2.092 3488 R HA -0.148 4.192 4.340 0.000 0.000 0.231 3488 R C 2.046 178.401 176.300 0.093 0.000 1.119 3488 R CA 1.240 57.399 56.100 0.099 0.000 0.970 3488 R CB -0.171 30.170 30.300 0.068 0.000 0.864 3488 R HN 0.449 nan 8.270 nan 0.000 0.440 3489 E N -0.370 119.892 120.200 0.102 0.000 2.107 3489 E HA -0.200 4.150 4.350 0.000 0.000 0.191 3489 E C 1.581 178.249 176.600 0.113 0.000 0.982 3489 E CA 0.859 57.314 56.400 0.090 0.000 0.809 3489 E CB -0.100 29.652 29.700 0.086 0.000 0.756 3489 E HN 0.298 nan 8.360 nan 0.000 0.459 3490 Y N 1.382 121.694 120.300 0.021 0.000 2.181 3490 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 3490 Y C 2.210 178.119 175.900 0.014 0.000 1.146 3490 Y CA 1.305 59.413 58.100 0.014 0.000 1.164 3490 Y CB -0.395 38.071 38.460 0.010 0.000 0.982 3490 Y HN -0.010 nan 8.280 nan 0.000 0.515 3491 A N -0.141 122.702 122.820 0.037 0.000 1.933 3491 A HA -0.225 4.095 4.320 0.000 0.000 0.218 3491 A C 2.103 179.647 177.584 -0.066 0.000 1.175 3491 A CA 1.884 53.906 52.037 -0.026 0.000 0.628 3491 A CB -0.790 18.246 19.000 0.061 0.000 0.814 3491 A HN 0.501 nan 8.150 nan 0.000 0.444 3492 E N -0.049 120.131 120.200 -0.033 0.000 2.110 3492 E HA -0.076 4.274 4.350 0.000 0.000 0.193 3492 E C 1.932 178.491 176.600 -0.068 0.000 0.988 3492 E CA 1.497 57.877 56.400 -0.032 0.000 0.804 3492 E CB -0.656 29.041 29.700 -0.005 0.000 0.745 3492 E HN 0.444 nan 8.360 nan 0.000 0.458 3493 G N 0.321 109.053 108.800 -0.113 0.000 2.421 3493 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 3493 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 3493 G C 1.433 176.221 174.900 -0.187 0.000 1.143 3493 G CA 0.614 45.630 45.100 -0.140 0.000 0.784 3493 G HN 0.201 nan 8.290 nan 0.000 0.541 3494 I N 0.367 120.778 120.570 -0.265 0.000 2.193 3494 I HA 0.005 4.175 4.170 0.000 0.000 0.240 3494 I C 1.704 177.749 176.117 -0.121 0.000 1.084 3494 I CA 1.084 62.244 61.300 -0.234 0.000 1.365 3494 I CB -1.091 36.744 38.000 -0.275 0.000 1.064 3494 I HN 0.298 nan 8.210 nan 0.000 0.410 3495 S N -1.235 114.411 115.700 -0.090 0.000 3.443 3495 S HA -0.117 4.353 4.470 0.000 0.000 0.635 3495 S C 0.766 175.344 174.600 -0.037 0.000 2.555 3495 S CA 1.445 59.615 58.200 -0.051 0.000 2.778 3495 S CB -1.357 61.815 63.200 -0.046 0.000 0.331 3495 S HN 1.427 nan 8.310 nan 0.000 1.765 3496 G N 1.143 109.927 108.800 -0.025 0.000 2.566 3496 G HA2 -0.337 3.623 3.960 0.000 0.000 0.280 3496 G HA3 -0.337 3.623 3.960 0.000 0.000 0.280 3496 G C 0.350 175.245 174.900 -0.007 0.000 1.225 3496 G CA 1.673 46.763 45.100 -0.017 0.000 0.966 3496 G HN 1.869 nan 8.290 nan 0.000 0.560 3497 R N 0.421 120.919 120.500 -0.003 0.000 2.223 3497 R HA 0.322 4.662 4.340 0.000 0.000 0.198 3497 R C 2.044 178.352 176.300 0.013 0.000 0.984 3497 R CA 1.361 57.465 56.100 0.008 0.000 1.018 3497 R CB -0.209 30.099 30.300 0.012 0.000 0.945 3497 R HN 0.640 nan 8.270 nan 0.000 0.479 3498 E N 2.085 122.288 120.200 0.003 0.000 2.204 3498 E HA -0.257 4.093 4.350 0.000 0.000 0.195 3498 E C 1.985 178.597 176.600 0.022 0.000 0.990 3498 E CA 1.616 58.021 56.400 0.008 0.000 0.821 3498 E CB -0.055 29.639 29.700 -0.010 0.000 0.750 3498 E HN 0.653 nan 8.360 nan 0.000 0.477 3499 Q N 0.841 120.645 119.800 0.007 0.000 2.124 3499 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 3499 Q C 2.246 178.280 176.000 0.056 0.000 0.977 3499 Q CA 1.091 56.902 55.803 0.013 0.000 0.850 3499 Q CB -0.318 28.416 28.738 -0.006 0.000 0.901 3499 Q HN 0.223 nan 8.270 nan 0.000 0.429 3500 L N 1.208 122.465 121.223 0.056 0.000 2.083 3500 L HA -0.050 4.290 4.340 0.000 0.000 0.209 3500 L C 2.428 179.375 176.870 0.129 0.000 1.083 3500 L CA 2.025 56.910 54.840 0.076 0.000 0.752 3500 L CB -0.857 41.236 42.059 0.056 0.000 0.899 3500 L HN 0.338 nan 8.230 nan 0.000 0.433 3501 A N -1.347 121.557 122.820 0.141 0.000 1.902 3501 A HA -0.133 4.187 4.320 0.000 0.000 0.217 3501 A C 2.228 180.039 177.584 0.378 0.000 1.181 3501 A CA 1.925 54.115 52.037 0.256 0.000 0.623 3501 A CB -0.973 18.112 19.000 0.141 0.000 0.818 3501 A HN 0.289 nan 8.150 nan 0.000 0.443 3502 V N -0.122 119.935 119.914 0.238 0.000 2.453 3502 V HA -0.213 3.907 4.120 0.000 0.000 0.247 3502 V C 2.582 178.811 176.094 0.224 0.000 1.048 3502 V CA 1.999 64.435 62.300 0.227 0.000 1.049 3502 V CB -0.813 31.118 31.823 0.180 0.000 0.672 3502 V HN 0.508 nan 8.190 nan 0.000 0.457 3503 R N 0.385 120.985 120.500 0.168 0.000 2.081 3503 R HA -0.087 4.253 4.340 0.000 0.000 0.235 3503 R C 2.444 178.821 176.300 0.128 0.000 1.131 3503 R CA 1.492 57.669 56.100 0.128 0.000 0.960 3503 R CB -0.566 29.788 30.300 0.089 0.000 0.856 3503 R HN 0.520 nan 8.270 nan 0.000 0.436 3504 A N 0.565 123.482 122.820 0.163 0.000 1.930 3504 A HA -0.161 4.159 4.320 0.000 0.000 0.217 3504 A C 1.942 179.578 177.584 0.088 0.000 1.175 3504 A CA 0.888 53.011 52.037 0.143 0.000 0.627 3504 A CB -0.557 18.573 19.000 0.216 0.000 0.815 3504 A HN 0.341 nan 8.150 nan 0.000 0.443 3505 F N 0.917 120.837 119.950 -0.051 0.000 2.102 3505 F HA -0.088 4.439 4.527 0.000 0.000 0.298 3505 F C 2.538 178.253 175.800 -0.141 0.000 1.105 3505 F CA 1.336 59.177 58.000 -0.264 0.000 1.239 3505 F CB -0.264 38.549 39.000 -0.311 0.000 0.991 3505 F HN 0.255 nan 8.300 nan 0.000 0.474 3506 A N -0.158 122.755 122.820 0.155 0.000 1.877 3506 A HA -0.198 4.122 4.320 0.000 0.000 0.216 3506 A C 1.933 179.498 177.584 -0.031 0.000 1.186 3506 A CA 2.028 54.112 52.037 0.077 0.000 0.620 3506 A CB -0.982 18.087 19.000 0.116 0.000 0.822 3506 A HN 0.419 nan 8.150 nan 0.000 0.443 3507 D N -0.111 120.277 120.400 -0.021 0.000 2.178 3507 D HA 0.024 4.664 4.640 0.000 0.000 0.202 3507 D C 2.155 178.402 176.300 -0.089 0.000 0.974 3507 D CA 1.264 55.241 54.000 -0.039 0.000 0.841 3507 D CB -0.329 40.467 40.800 -0.008 0.000 0.953 3507 D HN 0.418 nan 8.370 nan 0.000 0.478 3508 A N 0.425 123.156 122.820 -0.148 0.000 1.972 3508 A HA -0.126 4.194 4.320 0.000 0.000 0.219 3508 A C 1.994 179.440 177.584 -0.230 0.000 1.169 3508 A CA 0.771 52.686 52.037 -0.204 0.000 0.635 3508 A CB -0.499 18.316 19.000 -0.308 0.000 0.810 3508 A HN 0.151 nan 8.150 nan 0.000 0.446 3509 L N 0.364 121.428 121.223 -0.265 0.000 2.353 3509 L HA -0.110 4.230 4.340 0.000 0.000 0.220 3509 L C 2.000 178.784 176.870 -0.143 0.000 1.133 3509 L CA 1.336 56.043 54.840 -0.222 0.000 0.798 3509 L CB -0.582 41.355 42.059 -0.204 0.000 0.922 3509 L HN 0.393 nan 8.230 nan 0.000 0.445 3510 E N -1.013 119.116 120.200 -0.117 0.000 2.409 3510 E HA -0.136 4.215 4.350 0.000 0.000 0.198 3510 E C 2.337 178.888 176.600 -0.081 0.000 1.024 3510 E CA 0.663 57.010 56.400 -0.088 0.000 0.861 3510 E CB -0.401 29.258 29.700 -0.068 0.000 0.788 3510 E HN 0.352 nan 8.360 nan 0.000 0.521 3511 V N 1.283 121.142 119.914 -0.092 0.000 2.568 3511 V HA -0.231 3.889 4.120 0.000 0.000 0.253 3511 V C 1.889 177.941 176.094 -0.070 0.000 1.072 3511 V CA 1.023 63.276 62.300 -0.077 0.000 1.084 3511 V CB -0.273 31.499 31.823 -0.085 0.000 0.676 3511 V HN 0.126 nan 8.190 nan 0.000 0.469 3512 I N 1.364 121.888 120.570 -0.077 0.000 2.133 3512 I HA -0.051 4.119 4.170 0.000 0.000 0.238 3512 I C 0.227 176.310 176.117 -0.058 0.000 1.074 3512 I CA 1.787 63.047 61.300 -0.067 0.000 1.342 3512 I CB -2.909 35.049 38.000 -0.070 0.000 1.053 3512 I HN 0.348 nan 8.210 nan 0.000 0.404 3513 P HA -0.145 nan 4.420 nan 0.000 0.221 3513 P C 1.750 179.022 177.300 -0.047 0.000 1.150 3513 P CA 1.388 64.458 63.100 -0.051 0.000 0.800 3513 P CB -0.130 31.538 31.700 -0.053 0.000 0.787 3514 R N -0.055 120.416 120.500 -0.049 0.000 2.066 3514 R HA -0.050 4.290 4.340 0.000 0.000 0.232 3514 R C 1.978 178.252 176.300 -0.043 0.000 1.131 3514 R CA 1.915 57.989 56.100 -0.043 0.000 0.955 3514 R CB -0.691 29.584 30.300 -0.043 0.000 0.851 3514 R HN 0.052 nan 8.270 nan 0.000 0.432 3515 T N 1.327 115.853 114.554 -0.047 0.000 2.942 3515 T HA 0.016 4.367 4.350 0.000 0.000 0.265 3515 T C 1.773 176.443 174.700 -0.050 0.000 1.062 3515 T CA 0.759 62.832 62.100 -0.046 0.000 1.139 3515 T CB -0.015 68.826 68.868 -0.046 0.000 0.883 3515 T HN 0.142 nan 8.240 nan 0.000 0.468 3516 L N 0.920 122.110 121.223 -0.054 0.000 2.042 3516 L HA -0.136 4.204 4.340 0.000 0.000 0.210 3516 L C 3.003 179.833 176.870 -0.067 0.000 1.076 3516 L CA 1.385 56.187 54.840 -0.063 0.000 0.749 3516 L CB -0.614 41.409 42.059 -0.060 0.000 0.893 3516 L HN 0.250 nan 8.230 nan 0.000 0.432 3517 A N -0.510 122.277 122.820 -0.055 0.000 1.929 3517 A HA -0.184 4.136 4.320 0.000 0.000 0.216 3517 A C 2.169 179.724 177.584 -0.049 0.000 1.176 3517 A CA 1.334 53.340 52.037 -0.051 0.000 0.628 3517 A CB -0.359 18.617 19.000 -0.040 0.000 0.816 3517 A HN 0.415 nan 8.150 nan 0.000 0.444 3518 E N 0.036 120.210 120.200 -0.044 0.000 2.058 3518 E HA -0.194 4.156 4.350 0.000 0.000 0.194 3518 E C 1.645 178.218 176.600 -0.044 0.000 0.997 3518 E CA 1.298 57.674 56.400 -0.040 0.000 0.801 3518 E CB -0.173 29.506 29.700 -0.036 0.000 0.746 3518 E HN 0.530 nan 8.360 nan 0.000 0.450 3519 N N 0.287 118.956 118.700 -0.052 0.000 2.244 3519 N HA -0.085 4.655 4.740 0.000 0.000 0.183 3519 N C 1.451 176.918 175.510 -0.071 0.000 1.016 3519 N CA 1.060 54.075 53.050 -0.058 0.000 0.866 3519 N CB -0.134 38.316 38.487 -0.062 0.000 0.980 3519 N HN 0.109 nan 8.380 nan 0.000 0.430 3520 A N -0.023 122.748 122.820 -0.082 0.000 2.067 3520 A HA 0.320 4.640 4.320 0.000 0.000 0.217 3520 A C 1.464 179.008 177.584 -0.066 0.000 1.156 3520 A CA 1.061 53.040 52.037 -0.096 0.000 0.683 3520 A CB -0.413 18.519 19.000 -0.114 0.000 0.808 3520 A HN 0.310 nan 8.150 nan 0.000 0.455 3521 G N -1.150 107.619 108.800 -0.051 0.000 2.171 3521 G HA2 -0.182 3.778 3.960 0.000 0.000 0.238 3521 G HA3 -0.182 3.778 3.960 0.000 0.000 0.238 3521 G C -0.060 174.821 174.900 -0.031 0.000 1.039 3521 G CA 0.318 45.396 45.100 -0.037 0.000 0.759 3521 G HN 0.446 nan 8.290 nan 0.000 0.501 3522 L N -0.091 121.112 121.223 -0.034 0.000 2.375 3522 L HA 0.484 4.824 4.340 0.000 0.000 0.268 3522 L C 0.478 177.334 176.870 -0.023 0.000 1.058 3522 L CA -1.074 53.749 54.840 -0.027 0.000 0.803 3522 L CB 0.930 42.971 42.059 -0.031 0.000 1.212 3522 L HN 0.112 nan 8.230 nan 0.000 0.451 3523 D N 1.054 121.444 120.400 -0.017 0.000 2.342 3523 D HA 0.118 4.758 4.640 0.000 0.000 0.260 3523 D C 0.739 177.030 176.300 -0.016 0.000 1.278 3523 D CA 0.117 54.109 54.000 -0.014 0.000 0.910 3523 D CB 1.732 42.526 40.800 -0.010 0.000 1.079 3523 D HN 0.632 nan 8.370 nan 0.000 0.496 3524 A N 5.460 128.269 122.820 -0.018 0.000 1.908 3524 A HA -0.196 4.124 4.320 0.000 0.000 0.218 3524 A C 2.158 179.733 177.584 -0.016 0.000 1.181 3524 A CA 0.863 52.888 52.037 -0.020 0.000 0.627 3524 A CB -0.269 18.717 19.000 -0.022 0.000 0.818 3524 A HN 0.704 nan 8.150 nan 0.000 0.445 3525 I N -0.162 120.400 120.570 -0.013 0.000 2.179 3525 I HA -0.213 3.957 4.170 0.000 0.000 0.242 3525 I C 2.452 178.565 176.117 -0.007 0.000 1.088 3525 I CA 1.868 63.163 61.300 -0.010 0.000 1.357 3525 I CB -1.462 36.534 38.000 -0.007 0.000 1.051 3525 I HN 0.601 nan 8.210 nan 0.000 0.409 3526 E N 1.483 121.680 120.200 -0.006 0.000 2.051 3526 E HA -0.229 4.122 4.350 0.000 0.000 0.192 3526 E C 2.342 178.941 176.600 -0.002 0.000 0.991 3526 E CA 1.799 58.197 56.400 -0.003 0.000 0.799 3526 E CB -0.110 29.589 29.700 -0.003 0.000 0.748 3526 E HN 0.610 nan 8.360 nan 0.000 0.449 3527 I N -1.415 119.152 120.570 -0.005 0.000 2.439 3527 I HA -0.163 4.007 4.170 0.000 0.000 0.251 3527 I C 2.225 178.339 176.117 -0.006 0.000 1.139 3527 I CA 0.874 62.171 61.300 -0.005 0.000 1.438 3527 I CB -0.340 37.654 38.000 -0.010 0.000 1.085 3527 I HN 0.073 nan 8.210 nan 0.000 0.427 3528 L N 0.779 121.996 121.223 -0.010 0.000 2.093 3528 L HA -0.110 4.230 4.340 0.000 0.000 0.208 3528 L C 2.681 179.548 176.870 -0.005 0.000 1.085 3528 L CA 0.809 55.641 54.840 -0.013 0.000 0.755 3528 L CB -0.405 41.644 42.059 -0.017 0.000 0.904 3528 L HN 0.168 nan 8.230 nan 0.000 0.435 3529 V N -0.267 119.647 119.914 -0.001 0.000 2.323 3529 V HA -0.231 3.889 4.120 0.000 0.000 0.244 3529 V C 2.377 178.478 176.094 0.012 0.000 1.041 3529 V CA 1.650 63.953 62.300 0.005 0.000 1.025 3529 V CB -0.382 31.444 31.823 0.005 0.000 0.656 3529 V HN 0.384 nan 8.190 nan 0.000 0.451 3530 K N -0.369 120.038 120.400 0.011 0.000 2.103 3530 K HA -0.047 4.273 4.320 0.000 0.000 0.204 3530 K C 2.046 178.662 176.600 0.026 0.000 1.052 3530 K CA 1.005 57.302 56.287 0.017 0.000 0.945 3530 K CB -0.187 32.321 32.500 0.013 0.000 0.722 3530 K HN 0.292 nan 8.250 nan 0.000 0.443 3531 V N 1.183 121.111 119.914 0.023 0.000 2.323 3531 V HA -0.175 3.945 4.120 0.000 0.000 0.244 3531 V C 2.356 178.484 176.094 0.057 0.000 1.041 3531 V CA 1.460 63.781 62.300 0.035 0.000 1.025 3531 V CB -0.394 31.436 31.823 0.012 0.000 0.656 3531 V HN 0.270 nan 8.190 nan 0.000 0.451 3532 R N 0.093 120.611 120.500 0.030 0.000 2.081 3532 R HA -0.164 4.176 4.340 0.000 0.000 0.235 3532 R C 2.292 178.640 176.300 0.080 0.000 1.131 3532 R CA 1.720 57.843 56.100 0.037 0.000 0.960 3532 R CB -0.411 29.894 30.300 0.009 0.000 0.856 3532 R HN 0.500 nan 8.270 nan 0.000 0.436 3533 A N 0.494 123.347 122.820 0.055 0.000 1.873 3533 A HA -0.050 4.270 4.320 0.000 0.000 0.215 3533 A C 2.316 179.933 177.584 0.054 0.000 1.186 3533 A CA 1.538 53.604 52.037 0.049 0.000 0.616 3533 A CB -0.754 18.264 19.000 0.031 0.000 0.823 3533 A HN 0.506 nan 8.150 nan 0.000 0.442 3534 A N -0.984 121.869 122.820 0.056 0.000 1.933 3534 A HA -0.148 4.172 4.320 0.000 0.000 0.218 3534 A C 1.984 179.600 177.584 0.053 0.000 1.175 3534 A CA 2.072 54.136 52.037 0.046 0.000 0.628 3534 A CB -0.848 18.177 19.000 0.042 0.000 0.814 3534 A HN 0.806 nan 8.150 nan 0.000 0.444 3535 H N -0.114 118.959 119.070 0.005 0.000 2.293 3535 H HA 0.049 4.605 4.556 0.000 0.000 0.300 3535 H C 2.179 177.511 175.328 0.005 0.000 1.082 3535 H CA 2.062 58.113 56.048 0.005 0.000 1.308 3535 H CB -0.245 29.519 29.762 0.004 0.000 1.375 3535 H HN 0.367 nan 8.280 nan 0.000 0.495 3536 A N -0.542 122.334 122.820 0.094 0.000 1.940 3536 A HA -0.187 4.133 4.320 0.000 0.000 0.219 3536 A C 2.582 180.146 177.584 -0.032 0.000 1.176 3536 A CA 2.008 54.072 52.037 0.045 0.000 0.631 3536 A CB -1.064 17.989 19.000 0.088 0.000 0.814 3536 A HN 0.529 nan 8.150 nan 0.000 0.446 3537 S N -0.492 115.193 115.700 -0.024 0.000 2.341 3537 S HA -0.087 4.383 4.470 0.000 0.000 0.216 3537 S C 1.859 176.428 174.600 -0.051 0.000 1.034 3537 S CA 1.061 59.245 58.200 -0.027 0.000 0.964 3537 S CB -0.405 62.790 63.200 -0.008 0.000 0.882 3537 S HN 0.598 nan 8.310 nan 0.000 0.469 3538 N N 1.160 119.825 118.700 -0.058 0.000 2.396 3538 N HA 0.215 4.955 4.740 0.000 0.000 0.180 3538 N C 1.074 176.522 175.510 -0.103 0.000 1.028 3538 N CA 1.000 54.013 53.050 -0.062 0.000 0.893 3538 N CB -0.072 38.392 38.487 -0.038 0.000 0.967 3538 N HN 0.623 nan 8.380 nan 0.000 0.440 3539 G N 0.363 109.043 108.800 -0.200 0.000 2.396 3539 G HA2 -0.227 3.734 3.960 0.000 0.000 0.254 3539 G HA3 -0.227 3.734 3.960 0.000 0.000 0.254 3539 G C 0.014 174.670 174.900 -0.406 0.000 1.248 3539 G CA 0.042 44.981 45.100 -0.268 0.000 1.033 3539 G HN 0.253 nan 8.290 nan 0.000 0.502 3540 N N -0.479 118.081 118.700 -0.234 0.000 2.414 3540 N HA 0.028 4.768 4.740 0.000 0.000 0.177 3540 N C 1.503 177.018 175.510 0.008 0.000 1.062 3540 N CA 0.754 53.768 53.050 -0.060 0.000 0.890 3540 N CB 0.036 38.554 38.487 0.052 0.000 1.070 3540 N HN 0.296 nan 8.380 nan 0.000 0.454 3541 K N 0.004 120.393 120.400 -0.019 0.000 2.404 3541 K HA 0.156 4.476 4.320 0.000 0.000 0.194 3541 K C -0.249 176.348 176.600 -0.005 0.000 1.023 3541 K CA 0.064 56.349 56.287 -0.003 0.000 1.094 3541 K CB 0.033 32.529 32.500 -0.007 0.000 0.841 3541 K HN 0.093 nan 8.250 nan 0.000 0.523 3542 C N 0.159 119.450 119.300 -0.015 0.000 3.517 3542 C HA 0.820 5.280 4.460 0.000 0.000 0.202 3542 C C -0.265 174.726 174.990 0.000 0.000 1.370 3542 C CA -0.168 58.845 59.018 -0.009 0.000 1.308 3542 C CB -1.398 26.328 27.740 -0.024 0.000 1.840 3542 C HN 0.450 nan 8.230 nan 0.000 0.525 3543 A N 1.295 124.137 122.820 0.037 0.000 5.650 3543 A HA 0.955 5.275 4.320 0.000 0.000 0.194 3543 A C 0.425 178.058 177.584 0.080 0.000 0.895 3543 A CA 0.472 52.554 52.037 0.075 0.000 0.804 3543 A CB -0.379 18.712 19.000 0.151 0.000 2.103 3543 A HN 2.342 nan 8.150 nan 0.000 1.022 3544 G N -1.866 106.996 108.800 0.104 0.000 2.846 3544 G HA2 0.342 4.302 3.960 0.000 0.000 0.660 3544 G HA3 0.342 4.302 3.960 0.000 0.000 0.660 3544 G C -0.624 174.303 174.900 0.045 0.000 1.464 3544 G CA 0.043 45.181 45.100 0.064 0.000 0.891 3544 G HN 2.104 nan 8.290 nan 0.000 0.552 3545 L N 0.919 122.159 121.223 0.029 0.000 2.289 3545 L HA 0.620 4.960 4.340 0.000 0.000 0.285 3545 L C 0.522 177.414 176.870 0.037 0.000 1.049 3545 L CA -0.770 54.084 54.840 0.023 0.000 0.804 3545 L CB 1.402 43.461 42.059 0.001 0.000 1.195 3545 L HN 0.731 nan 8.230 nan 0.000 0.428 3546 N N 4.065 122.796 118.700 0.051 0.000 2.485 3546 N HA 0.125 4.865 4.740 0.000 0.000 0.243 3546 N C 0.906 176.451 175.510 0.059 0.000 0.987 3546 N CA -0.155 52.951 53.050 0.094 0.000 0.940 3546 N CB 1.403 39.960 38.487 0.117 0.000 1.122 3546 N HN 0.713 nan 8.380 nan 0.000 0.509 3547 V N 2.081 121.989 119.914 -0.010 0.000 2.970 3547 V HA -0.041 4.079 4.120 0.000 0.000 0.260 3547 V C 1.410 177.400 176.094 -0.173 0.000 1.100 3547 V CA 1.013 63.232 62.300 -0.135 0.000 1.122 3547 V CB -1.079 30.591 31.823 -0.254 0.000 0.721 3547 V HN 0.475 nan 8.190 nan 0.000 0.483 3548 F N 2.471 122.420 119.950 -0.002 0.000 2.259 3548 F HA -0.021 4.506 4.527 0.000 0.000 0.298 3548 F C 2.660 178.459 175.800 -0.001 0.000 1.088 3548 F CA 1.779 59.778 58.000 -0.002 0.000 1.358 3548 F CB -0.333 38.666 39.000 -0.001 0.000 1.040 3548 F HN 0.377 nan 8.300 nan 0.000 0.505 3549 T N -4.102 110.554 114.554 0.170 0.000 3.001 3549 T HA 0.375 4.725 4.350 0.000 0.000 0.251 3549 T C 1.482 176.211 174.700 0.048 0.000 1.040 3549 T CA 0.415 62.570 62.100 0.092 0.000 0.985 3549 T CB 0.326 69.240 68.868 0.076 0.000 1.011 3549 T HN 0.343 nan 8.240 nan 0.000 0.509 3550 G N 1.099 109.919 108.800 0.033 0.000 2.248 3550 G HA2 0.273 4.233 3.960 0.000 0.000 0.263 3550 G HA3 0.273 4.233 3.960 0.000 0.000 0.263 3550 G C 0.060 174.966 174.900 0.010 0.000 1.082 3550 G CA -0.226 44.877 45.100 0.005 0.000 0.863 3550 G HN 1.424 nan 8.290 nan 0.000 0.495 3551 A N -1.661 121.170 122.820 0.020 0.000 2.608 3551 A HA 0.881 5.201 4.320 0.000 0.000 0.292 3551 A C 0.035 177.634 177.584 0.026 0.000 1.066 3551 A CA 0.129 52.178 52.037 0.019 0.000 0.676 3551 A CB 1.389 20.401 19.000 0.021 0.000 1.277 3551 A HN 1.802 nan 8.150 nan 0.000 0.413 3552 V N 1.668 121.596 119.914 0.023 0.000 2.673 3552 V HA 0.406 4.527 4.120 0.000 0.000 0.303 3552 V C 0.020 176.134 176.094 0.032 0.000 1.046 3552 V CA 1.025 63.342 62.300 0.029 0.000 1.126 3552 V CB 0.443 32.283 31.823 0.029 0.000 0.934 3552 V HN 0.914 nan 8.190 nan 0.000 0.487 3553 E N 3.827 124.050 120.200 0.038 0.000 2.359 3553 E HA 0.373 4.723 4.350 0.000 0.000 0.223 3553 E C -1.476 175.145 176.600 0.035 0.000 0.877 3553 E CA -0.654 55.767 56.400 0.035 0.000 0.887 3553 E CB 0.828 30.553 29.700 0.041 0.000 1.890 3553 E HN 0.707 nan 8.360 nan 0.000 0.419 3554 D N 1.234 121.652 120.400 0.029 0.000 2.472 3554 D HA 0.193 4.833 4.640 0.000 0.000 0.234 3554 D C 0.832 177.149 176.300 0.028 0.000 1.088 3554 D CA -0.274 53.742 54.000 0.025 0.000 0.882 3554 D CB 0.580 41.389 40.800 0.015 0.000 1.037 3554 D HN 0.186 nan 8.370 nan 0.000 0.520 3555 M N 1.748 121.370 119.600 0.037 0.000 2.117 3555 M HA -0.142 4.338 4.480 0.000 0.000 0.262 3555 M C 2.310 178.626 176.300 0.027 0.000 1.065 3555 M CA 0.818 56.141 55.300 0.039 0.000 1.114 3555 M CB -1.157 31.471 32.600 0.047 0.000 1.361 3555 M HN 0.549 nan 8.290 nan 0.000 0.408 3556 C N 0.602 119.916 119.300 0.023 0.000 2.432 3556 C HA -0.184 4.276 4.460 0.000 0.000 0.277 3556 C C 2.732 177.726 174.990 0.008 0.000 1.249 3556 C CA 1.620 60.647 59.018 0.015 0.000 1.725 3556 C CB -0.871 26.877 27.740 0.013 0.000 2.028 3556 C HN 0.600 nan 8.230 nan 0.000 0.477 3557 E N 1.121 121.325 120.200 0.007 0.000 2.110 3557 E HA -0.139 4.211 4.350 0.000 0.000 0.193 3557 E C 1.608 178.207 176.600 -0.002 0.000 0.988 3557 E CA 1.567 57.968 56.400 0.001 0.000 0.804 3557 E CB -0.420 29.281 29.700 0.002 0.000 0.745 3557 E HN 0.624 nan 8.360 nan 0.000 0.458 3558 N N -0.335 118.365 118.700 0.000 0.000 2.461 3558 N HA 0.055 4.795 4.740 0.000 0.000 0.188 3558 N C 0.622 176.123 175.510 -0.015 0.000 1.134 3558 N CA 0.944 53.988 53.050 -0.009 0.000 0.878 3558 N CB 0.554 39.040 38.487 -0.002 0.000 0.972 3558 N HN 0.319 nan 8.380 nan 0.000 0.456 3559 G N -0.083 108.714 108.800 -0.006 0.000 2.153 3559 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 3559 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 3559 G C -0.050 174.850 174.900 0.001 0.000 0.994 3559 G CA 0.183 45.279 45.100 -0.006 0.000 0.698 3559 G HN 0.207 nan 8.290 nan 0.000 0.521 3560 V N 1.463 121.385 119.914 0.013 0.000 2.222 3560 V HA 0.487 4.607 4.120 0.000 0.000 0.253 3560 V C 0.787 176.897 176.094 0.028 0.000 1.210 3560 V CA 0.119 62.437 62.300 0.030 0.000 1.079 3560 V CB 0.463 32.317 31.823 0.052 0.000 1.265 3560 V HN 1.046 nan 8.190 nan 0.000 0.494 3561 V N 1.564 121.491 119.914 0.021 0.000 2.876 3561 V HA 0.900 5.020 4.120 0.000 0.000 0.312 3561 V C -0.632 175.472 176.094 0.017 0.000 1.085 3561 V CA -0.711 61.600 62.300 0.019 0.000 0.945 3561 V CB 2.490 34.322 31.823 0.014 0.000 1.017 3561 V HN 0.657 nan 8.190 nan 0.000 0.428 3562 E N 2.364 122.573 120.200 0.015 0.000 2.336 3562 E HA 0.654 5.004 4.350 0.000 0.000 0.267 3562 E C -3.234 173.372 176.600 0.010 0.000 0.906 3562 E CA -2.432 53.975 56.400 0.012 0.000 0.781 3562 E CB 2.090 31.798 29.700 0.012 0.000 1.261 3562 E HN 0.464 nan 8.360 nan 0.000 0.436 3563 P HA -0.026 nan 4.420 nan 0.000 0.266 3563 P C 0.892 178.196 177.300 0.006 0.000 1.195 3563 P CA -0.304 62.800 63.100 0.006 0.000 0.768 3563 P CB 0.444 32.147 31.700 0.005 0.000 0.838 3564 L N 4.028 125.254 121.223 0.006 0.000 2.079 3564 L HA -0.206 4.135 4.340 0.000 0.000 0.210 3564 L C 2.088 178.960 176.870 0.004 0.000 1.081 3564 L CA 1.947 56.791 54.840 0.006 0.000 0.752 3564 L CB -0.617 41.445 42.059 0.005 0.000 0.896 3564 L HN 0.242 nan 8.230 nan 0.000 0.433 3565 R N -0.531 119.971 120.500 0.004 0.000 2.117 3565 R HA -0.130 4.210 4.340 0.000 0.000 0.243 3565 R C 2.231 178.533 176.300 0.003 0.000 1.143 3565 R CA 1.559 57.661 56.100 0.004 0.000 0.968 3565 R CB -1.366 28.936 30.300 0.003 0.000 0.863 3565 R HN 0.389 nan 8.270 nan 0.000 0.444 3566 V N 1.654 121.569 119.914 0.003 0.000 2.287 3566 V HA -0.239 3.881 4.120 0.000 0.000 0.248 3566 V C 2.393 178.487 176.094 -0.001 0.000 1.053 3566 V CA 1.755 64.055 62.300 0.001 0.000 1.027 3566 V CB -0.300 31.524 31.823 0.002 0.000 0.646 3566 V HN 0.212 nan 8.190 nan 0.000 0.447 3567 K N -0.715 119.685 120.400 -0.000 0.000 2.137 3567 K HA -0.038 4.282 4.320 0.000 0.000 0.202 3567 K C 2.291 178.892 176.600 0.001 0.000 1.052 3567 K CA 1.501 57.786 56.287 -0.002 0.000 0.961 3567 K CB -0.665 31.834 32.500 -0.002 0.000 0.741 3567 K HN 0.458 nan 8.250 nan 0.000 0.452 3568 T N 0.714 115.271 114.554 0.004 0.000 2.942 3568 T HA -0.119 4.231 4.350 0.000 0.000 0.265 3568 T C 1.824 176.529 174.700 0.009 0.000 1.062 3568 T CA 1.207 63.311 62.100 0.007 0.000 1.139 3568 T CB 0.174 69.045 68.868 0.006 0.000 0.883 3568 T HN 0.071 nan 8.240 nan 0.000 0.468 3569 Q N 0.636 120.440 119.800 0.007 0.000 2.137 3569 Q HA 0.317 4.657 4.340 0.000 0.000 0.198 3569 Q C 2.209 178.214 176.000 0.008 0.000 0.960 3569 Q CA 1.532 57.339 55.803 0.007 0.000 0.847 3569 Q CB -0.686 28.055 28.738 0.005 0.000 0.915 3569 Q HN 0.515 nan 8.270 nan 0.000 0.448 3570 A N 0.747 123.569 122.820 0.003 0.000 1.865 3570 A HA -0.160 4.160 4.320 0.000 0.000 0.217 3570 A C 1.931 179.518 177.584 0.004 0.000 1.191 3570 A CA 1.626 53.661 52.037 -0.002 0.000 0.623 3570 A CB -0.760 18.233 19.000 -0.011 0.000 0.826 3570 A HN 0.450 nan 8.150 nan 0.000 0.444 3571 I N -0.242 120.335 120.570 0.011 0.000 2.315 3571 I HA -0.190 3.980 4.170 0.000 0.000 0.248 3571 I C 2.658 178.807 176.117 0.053 0.000 1.117 3571 I CA 1.197 62.519 61.300 0.037 0.000 1.404 3571 I CB -1.356 36.673 38.000 0.048 0.000 1.071 3571 I HN 0.396 nan 8.210 nan 0.000 0.419 3572 Q N 0.537 120.358 119.800 0.035 0.000 1.965 3572 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 3572 Q C 2.485 178.507 176.000 0.037 0.000 0.981 3572 Q CA 1.764 57.588 55.803 0.033 0.000 0.834 3572 Q CB -0.426 28.325 28.738 0.021 0.000 0.900 3572 Q HN 0.372 nan 8.270 nan 0.000 0.426 3573 S N 0.986 116.702 115.700 0.027 0.000 2.368 3573 S HA -0.117 4.353 4.470 0.000 0.000 0.225 3573 S C 1.951 176.571 174.600 0.033 0.000 1.030 3573 S CA 1.050 59.266 58.200 0.026 0.000 0.999 3573 S CB -0.235 62.975 63.200 0.017 0.000 0.844 3573 S HN 0.492 nan 8.310 nan 0.000 0.459 3574 A N 1.565 124.404 122.820 0.031 0.000 1.873 3574 A HA 0.136 4.456 4.320 0.000 0.000 0.215 3574 A C 2.362 179.986 177.584 0.066 0.000 1.186 3574 A CA 1.678 53.734 52.037 0.032 0.000 0.616 3574 A CB -1.117 17.886 19.000 0.006 0.000 0.823 3574 A HN 0.509 nan 8.150 nan 0.000 0.442 3575 A N -0.618 122.259 122.820 0.096 0.000 1.902 3575 A HA -0.130 4.190 4.320 0.000 0.000 0.217 3575 A C 1.991 179.657 177.584 0.136 0.000 1.181 3575 A CA 1.706 53.841 52.037 0.163 0.000 0.623 3575 A CB -0.375 18.737 19.000 0.186 0.000 0.818 3575 A HN 0.449 nan 8.150 nan 0.000 0.443 3576 E N -0.502 119.752 120.200 0.089 0.000 2.072 3576 E HA -0.088 4.262 4.350 0.000 0.000 0.190 3576 E C 2.310 178.949 176.600 0.065 0.000 0.982 3576 E CA 1.234 57.676 56.400 0.070 0.000 0.803 3576 E CB -0.488 29.240 29.700 0.047 0.000 0.755 3576 E HN 0.519 nan 8.360 nan 0.000 0.453 3577 S N -0.114 115.621 115.700 0.058 0.000 2.387 3577 S HA -0.083 4.387 4.470 0.000 0.000 0.226 3577 S C 1.998 176.633 174.600 0.059 0.000 1.026 3577 S CA 1.431 59.660 58.200 0.048 0.000 0.972 3577 S CB -0.106 63.115 63.200 0.036 0.000 0.814 3577 S HN 0.194 nan 8.310 nan 0.000 0.477 3578 T N 1.506 116.109 114.554 0.082 0.000 2.708 3578 T HA -0.094 4.256 4.350 0.000 0.000 0.266 3578 T C 1.750 176.533 174.700 0.137 0.000 1.037 3578 T CA 1.581 63.747 62.100 0.111 0.000 1.146 3578 T CB -0.372 68.581 68.868 0.140 0.000 0.865 3578 T HN 0.578 nan 8.240 nan 0.000 0.435 3579 E N 0.520 120.815 120.200 0.159 0.000 2.106 3579 E HA -0.113 4.237 4.350 0.000 0.000 0.192 3579 E C 2.215 178.854 176.600 0.064 0.000 0.984 3579 E CA 0.783 57.261 56.400 0.131 0.000 0.806 3579 E CB -0.184 29.600 29.700 0.138 0.000 0.750 3579 E HN 0.471 nan 8.360 nan 0.000 0.458 3580 M N 0.191 119.825 119.600 0.057 0.000 2.086 3580 M HA -0.196 4.284 4.480 0.000 0.000 0.261 3580 M C 1.791 178.106 176.300 0.025 0.000 1.067 3580 M CA 1.236 56.557 55.300 0.035 0.000 1.116 3580 M CB -0.005 32.615 32.600 0.033 0.000 1.348 3580 M HN 0.186 nan 8.290 nan 0.000 0.407 3581 L N 0.792 122.032 121.223 0.029 0.000 2.042 3581 L HA -0.173 4.167 4.340 0.000 0.000 0.210 3581 L C 2.239 179.113 176.870 0.006 0.000 1.076 3581 L CA 1.749 56.598 54.840 0.016 0.000 0.749 3581 L CB -1.071 41.001 42.059 0.020 0.000 0.893 3581 L HN 0.401 nan 8.230 nan 0.000 0.432 3582 L N -1.467 119.764 121.223 0.013 0.000 2.201 3582 L HA -0.153 4.187 4.340 0.000 0.000 0.212 3582 L C 2.480 179.336 176.870 -0.023 0.000 1.105 3582 L CA 0.743 55.575 54.840 -0.014 0.000 0.775 3582 L CB -0.387 41.654 42.059 -0.030 0.000 0.913 3582 L HN 0.214 nan 8.230 nan 0.000 0.440 3583 R N -0.076 120.420 120.500 -0.006 0.000 2.193 3583 R HA 0.102 4.442 4.340 0.000 0.000 0.213 3583 R C 0.536 176.834 176.300 -0.003 0.000 1.055 3583 R CA 0.315 56.413 56.100 -0.003 0.000 0.995 3583 R CB -0.040 30.264 30.300 0.008 0.000 0.893 3583 R HN 0.254 nan 8.270 nan 0.000 0.459 3584 I N 2.580 123.148 120.570 -0.003 0.000 2.471 3584 I HA -0.047 4.123 4.170 0.000 0.000 0.286 3584 I C 0.409 176.520 176.117 -0.009 0.000 1.079 3584 I CA 0.050 61.349 61.300 -0.003 0.000 1.398 3584 I CB 0.990 38.989 38.000 -0.003 0.000 1.403 3584 I HN 0.135 nan 8.210 nan 0.000 0.530 3585 D N 2.998 123.396 120.400 -0.003 0.000 2.503 3585 D HA 0.127 4.768 4.640 0.000 0.000 0.218 3585 D C -0.286 176.020 176.300 0.011 0.000 1.183 3585 D CA -0.040 53.957 54.000 -0.005 0.000 0.827 3585 D CB 0.387 41.180 40.800 -0.012 0.000 1.034 3585 D HN 0.355 nan 8.370 nan 0.000 0.510 3586 D N 0.058 120.471 120.400 0.022 0.000 2.688 3586 D HA 0.248 4.888 4.640 0.000 0.000 0.210 3586 D C -1.711 174.619 176.300 0.051 0.000 1.333 3586 D CA -0.471 53.552 54.000 0.038 0.000 0.920 3586 D CB 1.931 42.746 40.800 0.025 0.000 1.554 3586 D HN -0.170 nan 8.370 nan 0.000 0.579 3587 V N 4.267 124.239 119.914 0.096 0.000 2.444 3587 V HA 0.556 4.676 4.120 0.000 0.000 0.294 3587 V C -0.122 176.058 176.094 0.143 0.000 1.022 3587 V CA -0.668 61.703 62.300 0.118 0.000 0.850 3587 V CB 1.479 33.380 31.823 0.130 0.000 0.992 3587 V HN 0.431 nan 8.190 nan 0.000 0.426 3588 I N 4.575 125.198 120.570 0.089 0.000 2.390 3588 I HA 0.772 4.942 4.170 0.000 0.000 0.283 3588 I C 0.292 176.448 176.117 0.066 0.000 1.016 3588 I CA -0.054 61.282 61.300 0.060 0.000 1.151 3588 I CB 1.632 39.650 38.000 0.031 0.000 1.293 3588 I HN 0.684 nan 8.210 nan 0.000 0.458 3589 A N 4.344 127.211 122.820 0.079 0.000 2.401 3589 A HA 0.949 5.269 4.320 0.000 0.000 0.310 3589 A C -0.063 177.552 177.584 0.052 0.000 1.075 3589 A CA -0.684 51.402 52.037 0.082 0.000 0.746 3589 A CB 1.245 20.328 19.000 0.138 0.000 1.277 3589 A HN 0.748 nan 8.150 nan 0.000 0.425 3590 A N 0.742 123.589 122.820 0.044 0.000 2.448 3590 A HA 0.428 4.749 4.320 0.000 0.000 0.239 3590 A C 0.844 178.447 177.584 0.032 0.000 1.080 3590 A CA 0.012 52.067 52.037 0.029 0.000 0.779 3590 A CB -0.016 19.000 19.000 0.026 0.000 1.026 3590 A HN 0.923 nan 8.150 nan 0.000 0.499 3591 E N 0.000 120.211 120.200 0.019 0.000 2.725 3591 E HA 0.000 4.350 4.350 0.000 0.000 0.291 3591 E CA 0.000 56.411 56.400 0.018 0.000 0.976 3591 E CB 0.000 29.705 29.700 0.008 0.000 0.812 3591 E HN 0.000 nan 8.360 nan 0.000 0.440