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 2dqz_1_C DATA FIRST_RESID 3021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 3021 S HA 0.000 nan 4.470 nan 0.000 0.327 3021 S C 0.000 174.685 174.600 0.142 0.000 1.055 3021 S CA 0.000 58.231 58.200 0.052 0.000 1.107 3021 S CB 0.000 63.202 63.200 0.003 0.000 0.593 3022 S N 2.638 118.443 115.700 0.175 0.000 2.616 3022 S HA 0.705 5.176 4.470 0.002 0.000 0.277 3022 S C -2.675 172.044 174.600 0.199 0.000 1.234 3022 S CA -0.882 57.411 58.200 0.155 0.000 1.028 3022 S CB 0.573 63.837 63.200 0.106 0.000 0.988 3022 S HN 0.525 nan 8.310 nan 0.000 0.522 3023 P HA 0.170 nan 4.420 nan 0.000 0.264 3023 P C -2.544 174.675 177.300 -0.136 0.000 1.183 3023 P CA -0.734 62.310 63.100 -0.094 0.000 0.763 3023 P CB -0.381 31.271 31.700 -0.080 0.000 0.807 3024 P HA 0.069 nan 4.420 nan 0.000 0.271 3024 P C -0.833 176.486 177.300 0.032 0.000 1.216 3024 P CA 0.331 63.298 63.100 -0.222 0.000 0.771 3024 P CB 0.484 31.899 31.700 -0.474 0.000 0.864 3025 V N 5.021 124.997 119.914 0.104 0.000 2.357 3025 V HA 0.204 4.325 4.120 0.002 0.000 0.281 3025 V C 0.065 176.204 176.094 0.075 0.000 1.015 3025 V CA -0.544 61.837 62.300 0.136 0.000 0.827 3025 V CB 1.801 33.683 31.823 0.098 0.000 1.018 3025 V HN 0.235 nan 8.190 nan 0.000 0.432 3026 V N 3.222 123.152 119.914 0.028 0.000 2.612 3026 V HA 0.473 4.594 4.120 0.002 0.000 0.301 3026 V C -0.169 175.845 176.094 -0.133 0.000 1.046 3026 V CA -0.566 61.596 62.300 -0.231 0.000 0.946 3026 V CB 2.165 33.491 31.823 -0.829 0.000 1.003 3026 V HN 0.776 nan 8.190 nan 0.000 0.459 3027 D N 2.431 122.738 120.400 -0.154 0.000 2.280 3027 D HA 0.438 5.079 4.640 0.002 0.000 0.236 3027 D C -0.006 176.231 176.300 -0.105 0.000 1.082 3027 D CA -0.014 53.940 54.000 -0.077 0.000 0.834 3027 D CB 1.820 42.576 40.800 -0.073 0.000 1.100 3027 D HN 0.790 nan 8.370 nan 0.000 0.486 3028 T N -0.761 113.777 114.554 -0.026 0.000 2.919 3028 T HA 0.298 4.649 4.350 0.002 0.000 0.282 3028 T C 1.638 176.237 174.700 -0.167 0.000 1.020 3028 T CA -0.686 61.393 62.100 -0.035 0.000 0.994 3028 T CB 0.889 69.896 68.868 0.231 0.000 1.180 3028 T HN 0.031 nan 8.240 nan 0.000 0.566 3029 V N 0.880 120.635 119.914 -0.264 0.000 2.332 3029 V HA -0.138 3.982 4.120 0.002 0.000 0.248 3029 V C 2.084 177.886 176.094 -0.487 0.000 1.055 3029 V CA 1.607 63.664 62.300 -0.404 0.000 1.038 3029 V CB -1.118 30.371 31.823 -0.556 0.000 0.651 3029 V HN 0.856 nan 8.190 nan 0.000 0.450 3030 H N -0.028 118.846 119.070 -0.328 0.000 2.517 3030 H HA 0.518 5.074 4.556 0.002 0.000 0.282 3030 H C 0.917 175.367 175.328 -1.463 0.000 1.023 3030 H CA 0.874 56.515 56.048 -0.680 0.000 1.169 3030 H CB 0.356 29.803 29.762 -0.525 0.000 1.454 3030 H HN 0.528 nan 8.280 nan 0.000 0.556 3031 G N 0.488 108.747 108.800 -0.902 0.000 2.339 3031 G HA2 -0.055 3.906 3.960 0.002 0.000 0.381 3031 G HA3 -0.055 3.906 3.960 0.002 0.000 0.381 3031 G C -1.273 173.611 174.900 -0.027 0.000 1.400 3031 G CA -1.195 43.380 45.100 -0.876 0.000 1.002 3031 G HN 0.053 nan 8.290 nan 0.000 0.633 3032 K N -0.398 120.147 120.400 0.241 0.000 2.298 3032 K HA 0.564 4.885 4.320 0.002 0.000 0.280 3032 K C -0.134 176.796 176.600 0.551 0.000 1.032 3032 K CA -0.472 56.013 56.287 0.329 0.000 0.958 3032 K CB 1.798 34.431 32.500 0.222 0.000 0.978 3032 K HN 0.348 nan 8.250 nan 0.000 0.472 3033 V N 4.073 124.230 119.914 0.405 0.000 2.555 3033 V HA 0.307 4.428 4.120 0.002 0.000 0.302 3033 V C -0.631 175.691 176.094 0.379 0.000 1.038 3033 V CA -1.020 61.521 62.300 0.403 0.000 0.887 3033 V CB 1.805 33.900 31.823 0.453 0.000 0.991 3033 V HN 0.580 nan 8.190 nan 0.000 0.434 3034 L N 3.795 125.199 121.223 0.302 0.000 2.329 3034 L HA 0.879 5.220 4.340 0.002 0.000 0.279 3034 L C 0.282 177.201 176.870 0.083 0.000 1.014 3034 L CA 0.416 55.373 54.840 0.195 0.000 0.814 3034 L CB 1.306 43.414 42.059 0.081 0.000 1.257 3034 L HN 0.785 nan 8.230 nan 0.000 0.424 3035 G N 4.406 113.074 108.800 -0.219 0.000 3.264 3035 G HA2 0.634 4.595 3.960 0.002 0.000 0.168 3035 G HA3 0.634 4.595 3.960 0.002 0.000 0.168 3035 G C -1.344 173.235 174.900 -0.536 0.000 1.145 3035 G CA -0.426 44.267 45.100 -0.680 0.000 0.855 3035 G HN 0.700 nan 8.290 nan 0.000 0.629 3036 K N -1.324 118.685 120.400 -0.651 0.000 2.568 3036 K HA 0.583 4.904 4.320 0.002 0.000 0.273 3036 K C -1.869 174.469 176.600 -0.436 0.000 0.951 3036 K CA -0.814 55.215 56.287 -0.430 0.000 0.854 3036 K CB 1.648 33.999 32.500 -0.248 0.000 1.424 3036 K HN 0.277 nan 8.250 nan 0.000 0.427 3037 F N 1.200 121.087 119.950 -0.104 0.000 2.404 3037 F HA 0.524 5.052 4.527 0.002 0.000 0.339 3037 F C -0.312 175.471 175.800 -0.029 0.000 1.105 3037 F CA -0.784 57.184 58.000 -0.054 0.000 1.087 3037 F CB 2.006 40.993 39.000 -0.021 0.000 1.143 3037 F HN 0.103 nan 8.300 nan 0.000 0.491 3038 V N 2.438 122.489 119.914 0.229 0.000 2.638 3038 V HA 0.344 4.465 4.120 0.002 0.000 0.306 3038 V C -0.674 175.500 176.094 0.134 0.000 1.052 3038 V CA -0.745 61.639 62.300 0.140 0.000 0.885 3038 V CB 2.120 34.008 31.823 0.107 0.000 0.999 3038 V HN 0.715 nan 8.190 nan 0.000 0.424 3039 S N 4.014 119.777 115.700 0.105 0.000 2.451 3039 S HA 0.686 5.157 4.470 0.002 0.000 0.301 3039 S C -0.689 173.973 174.600 0.103 0.000 1.116 3039 S CA -0.372 57.886 58.200 0.097 0.000 1.093 3039 S CB 1.359 64.606 63.200 0.079 0.000 1.017 3039 S HN 0.553 nan 8.310 nan 0.000 0.482 3040 L N 3.339 124.630 121.223 0.112 0.000 2.307 3040 L HA 0.493 4.834 4.340 0.002 0.000 0.282 3040 L C 0.160 177.173 176.870 0.238 0.000 1.051 3040 L CA -0.549 54.370 54.840 0.132 0.000 0.804 3040 L CB 0.980 43.037 42.059 -0.003 0.000 1.197 3040 L HN 0.651 nan 8.230 nan 0.000 0.431 3041 E N 3.614 123.941 120.200 0.212 0.000 3.025 3041 E HA 0.246 4.597 4.350 0.002 0.000 0.248 3041 E C 1.126 177.852 176.600 0.209 0.000 0.938 3041 E CA 1.650 58.164 56.400 0.191 0.000 0.958 3041 E CB -0.263 29.549 29.700 0.186 0.000 0.898 3041 E HN 0.869 nan 8.360 nan 0.000 0.537 3042 G N 3.643 112.498 108.800 0.092 0.000 2.299 3042 G HA2 -0.297 3.663 3.960 0.002 0.000 0.237 3042 G HA3 -0.297 3.663 3.960 0.002 0.000 0.237 3042 G C 0.017 174.793 174.900 -0.208 0.000 1.027 3042 G CA -0.001 45.056 45.100 -0.073 0.000 0.619 3042 G HN 0.446 nan 8.290 nan 0.000 0.513 3043 F N 1.694 121.610 119.950 -0.057 0.000 2.424 3043 F HA 0.678 5.206 4.527 0.001 0.000 0.356 3043 F C 1.512 177.287 175.800 -0.042 0.000 1.110 3043 F CA 0.055 58.015 58.000 -0.068 0.000 1.161 3043 F CB 1.514 40.461 39.000 -0.090 0.000 1.115 3043 F HN 0.182 nan 8.300 nan 0.000 0.507 3044 A N 2.319 125.175 122.820 0.060 0.000 1.897 3044 A HA -0.125 4.196 4.320 0.002 0.000 0.215 3044 A C 1.228 178.836 177.584 0.041 0.000 1.181 3044 A CA 0.540 52.593 52.037 0.027 0.000 0.620 3044 A CB -0.554 18.439 19.000 -0.011 0.000 0.821 3044 A HN 0.662 nan 8.150 nan 0.000 0.443 3045 Q N 1.600 121.447 119.800 0.079 0.000 2.244 3045 Q HA 0.211 4.552 4.340 0.002 0.000 0.278 3045 Q C -2.418 173.623 176.000 0.067 0.000 1.093 3045 Q CA -1.886 53.954 55.803 0.062 0.000 0.916 3045 Q CB 0.378 29.172 28.738 0.094 0.000 1.159 3045 Q HN 0.356 nan 8.270 nan 0.000 0.384 3046 P HA 0.089 nan 4.420 nan 0.000 0.279 3046 P C -1.024 176.378 177.300 0.171 0.000 1.239 3046 P CA -0.346 62.778 63.100 0.040 0.000 0.789 3046 P CB 1.145 32.756 31.700 -0.148 0.000 0.933 3047 V N 2.630 122.674 119.914 0.216 0.000 2.407 3047 V HA 0.401 4.522 4.120 0.002 0.000 0.278 3047 V C 0.805 177.076 176.094 0.294 0.000 1.037 3047 V CA -0.659 61.786 62.300 0.242 0.000 0.900 3047 V CB 0.871 32.799 31.823 0.176 0.000 0.983 3047 V HN 0.733 nan 8.190 nan 0.000 0.459 3048 A N 7.077 130.067 122.820 0.284 0.000 2.354 3048 A HA 0.705 5.026 4.320 0.002 0.000 0.281 3048 A C -0.363 177.203 177.584 -0.029 0.000 1.174 3048 A CA -0.154 51.912 52.037 0.048 0.000 0.828 3048 A CB -0.137 18.985 19.000 0.203 0.000 1.099 3048 A HN 0.776 nan 8.150 nan 0.000 0.516 3049 I N 2.632 122.989 120.570 -0.354 0.000 2.436 3049 I HA 0.410 4.581 4.170 0.002 0.000 0.289 3049 I C -1.283 174.430 176.117 -0.674 0.000 1.010 3049 I CA -0.256 60.800 61.300 -0.405 0.000 1.098 3049 I CB 1.588 39.405 38.000 -0.305 0.000 1.266 3049 I HN 0.535 nan 8.210 nan 0.000 0.434 3050 F N 6.578 126.381 119.950 -0.245 0.000 2.482 3050 F HA 0.604 5.132 4.527 0.001 0.000 0.331 3050 F C -0.342 175.318 175.800 -0.232 0.000 1.115 3050 F CA -0.634 57.272 58.000 -0.157 0.000 0.955 3050 F CB 1.505 40.501 39.000 -0.007 0.000 1.136 3050 F HN 0.101 nan 8.300 nan 0.000 0.452 3051 L N 2.322 123.494 121.223 -0.085 0.000 2.356 3051 L HA 0.692 5.033 4.340 0.002 0.000 0.277 3051 L C 0.447 177.263 176.870 -0.091 0.000 0.996 3051 L CA -0.948 53.813 54.840 -0.131 0.000 0.822 3051 L CB 1.905 43.776 42.059 -0.313 0.000 1.256 3051 L HN 0.882 nan 8.230 nan 0.000 0.413 3052 G N 3.465 112.238 108.800 -0.044 0.000 2.248 3052 G HA2 -0.220 3.741 3.960 0.002 0.000 0.252 3052 G HA3 -0.220 3.741 3.960 0.002 0.000 0.252 3052 G C -0.277 174.676 174.900 0.087 0.000 1.085 3052 G CA -0.489 44.554 45.100 -0.095 0.000 0.845 3052 G HN 0.486 nan 8.290 nan 0.000 0.494 3053 I N 2.386 123.022 120.570 0.110 0.000 2.337 3053 I HA 0.242 4.413 4.170 0.002 0.000 0.291 3053 I C -1.379 174.762 176.117 0.039 0.000 1.046 3053 I CA -2.194 59.136 61.300 0.050 0.000 1.324 3053 I CB 1.217 39.162 38.000 -0.091 0.000 1.409 3053 I HN 0.010 nan 8.210 nan 0.000 0.494 3054 P HA 0.025 nan 4.420 nan 0.000 0.276 3054 P C -0.313 176.840 177.300 -0.245 0.000 1.230 3054 P CA 0.031 62.936 63.100 -0.324 0.000 0.776 3054 P CB 0.587 32.123 31.700 -0.273 0.000 0.888 3055 F N 0.758 120.495 119.950 -0.354 0.000 2.724 3055 F HA 0.773 5.301 4.527 0.001 0.000 0.310 3055 F C -0.113 175.665 175.800 -0.036 0.000 1.107 3055 F CA -0.967 56.874 58.000 -0.266 0.000 1.218 3055 F CB 0.122 38.897 39.000 -0.375 0.000 1.042 3055 F HN 0.439 nan 8.300 nan 0.000 0.540 3056 A N 0.419 122.984 122.820 -0.425 0.000 2.566 3056 A HA 0.488 4.809 4.320 0.002 0.000 0.290 3056 A C -1.468 175.932 177.584 -0.306 0.000 1.071 3056 A CA -1.146 50.718 52.037 -0.288 0.000 0.658 3056 A CB 0.812 19.591 19.000 -0.369 0.000 1.285 3056 A HN 0.203 nan 8.150 nan 0.000 0.427 3057 K N 0.568 120.855 120.400 -0.188 0.000 2.270 3057 K HA 0.456 4.777 4.320 0.002 0.000 0.276 3057 K C -2.458 174.021 176.600 -0.201 0.000 1.023 3057 K CA -1.626 54.563 56.287 -0.164 0.000 0.955 3057 K CB 0.448 32.890 32.500 -0.097 0.000 0.975 3057 K HN 0.331 nan 8.250 nan 0.000 0.471 3058 P HA -0.021 nan 4.420 nan 0.000 0.258 3058 P C -2.377 174.836 177.300 -0.144 0.000 1.187 3058 P CA -0.792 62.201 63.100 -0.178 0.000 0.767 3058 P CB 0.223 31.850 31.700 -0.121 0.000 0.770 3059 P HA 0.014 nan 4.420 nan 0.000 0.232 3059 P C -0.613 176.606 177.300 -0.135 0.000 1.738 3059 P CA 0.511 63.525 63.100 -0.143 0.000 0.948 3059 P CB -0.068 31.544 31.700 -0.146 0.000 1.943 3060 L N -0.474 120.682 121.223 -0.112 0.000 2.375 3060 L HA 0.593 4.933 4.340 0.002 0.000 0.268 3060 L C 1.632 178.449 176.870 -0.088 0.000 1.058 3060 L CA -0.349 54.435 54.840 -0.093 0.000 0.803 3060 L CB 0.600 42.616 42.059 -0.072 0.000 1.212 3060 L HN 0.274 nan 8.230 nan 0.000 0.451 3061 G N 1.875 110.627 108.800 -0.080 0.000 2.629 3061 G HA2 -0.287 3.674 3.960 0.002 0.000 0.313 3061 G HA3 -0.287 3.674 3.960 0.002 0.000 0.313 3061 G C -1.266 173.586 174.900 -0.079 0.000 1.217 3061 G CA 0.294 45.353 45.100 -0.069 0.000 0.994 3061 G HN 0.624 nan 8.290 nan 0.000 0.549 3062 P HA 0.037 nan 4.420 nan 0.000 0.225 3062 P C 1.872 179.127 177.300 -0.075 0.000 1.148 3062 P CA 1.247 64.323 63.100 -0.041 0.000 0.779 3062 P CB -0.113 31.580 31.700 -0.012 0.000 0.780 3063 L N -1.063 120.099 121.223 -0.102 0.000 2.599 3063 L HA 0.088 4.428 4.340 0.002 0.000 0.230 3063 L C 1.727 178.462 176.870 -0.225 0.000 1.141 3063 L CA -0.139 54.620 54.840 -0.135 0.000 0.877 3063 L CB -0.500 41.492 42.059 -0.111 0.000 1.009 3063 L HN -0.048 nan 8.230 nan 0.000 0.447 3064 R N 0.394 120.730 120.500 -0.274 0.000 2.539 3064 R HA 0.041 4.382 4.340 0.002 0.000 0.275 3064 R C -0.037 175.921 176.300 -0.571 0.000 1.077 3064 R CA -0.320 55.480 56.100 -0.499 0.000 1.097 3064 R CB 0.357 30.287 30.300 -0.617 0.000 1.018 3064 R HN 0.037 nan 8.270 nan 0.000 0.483 3065 F N -0.089 119.506 119.950 -0.592 0.000 3.093 3065 F HA -0.281 4.247 4.527 0.002 0.000 0.287 3065 F C 0.185 174.925 175.800 -1.768 0.000 0.882 3065 F CA 1.462 58.735 58.000 -1.211 0.000 1.063 3065 F CB -2.595 36.164 39.000 -0.402 0.000 1.097 3065 F HN 0.663 nan 8.300 nan 0.000 0.604 3066 T N -3.918 109.931 114.554 -1.175 0.000 2.865 3066 T HA 0.793 5.144 4.350 0.002 0.000 0.294 3066 T C -2.977 171.555 174.700 -0.281 0.000 1.119 3066 T CA -2.495 59.159 62.100 -0.744 0.000 1.007 3066 T CB 3.229 71.928 68.868 -0.281 0.000 1.225 3066 T HN -0.258 nan 8.240 nan 0.000 0.515 3067 P HA 0.276 nan 4.420 nan 0.000 0.269 3067 P C -2.366 174.997 177.300 0.104 0.000 1.209 3067 P CA -1.025 62.215 63.100 0.234 0.000 0.776 3067 P CB -0.295 31.544 31.700 0.232 0.000 0.876 3068 P HA 0.086 nan 4.420 nan 0.000 0.271 3068 P C -0.777 176.562 177.300 0.065 0.000 1.216 3068 P CA 0.158 63.297 63.100 0.066 0.000 0.776 3068 P CB 0.828 32.598 31.700 0.117 0.000 0.881 3069 Q N 2.931 122.742 119.800 0.019 0.000 2.248 3069 Q HA 0.445 4.786 4.340 0.002 0.000 0.263 3069 Q C -2.269 173.749 176.000 0.030 0.000 1.007 3069 Q CA -2.212 53.609 55.803 0.030 0.000 0.877 3069 Q CB 0.768 29.509 28.738 0.005 0.000 1.315 3069 Q HN 0.355 nan 8.270 nan 0.000 0.454 3070 P HA -0.066 nan 4.420 nan 0.000 0.265 3070 P C -1.283 175.998 177.300 -0.032 0.000 1.187 3070 P CA 0.251 63.398 63.100 0.078 0.000 0.766 3070 P CB 0.444 32.211 31.700 0.112 0.000 0.820 3071 A N 2.976 125.750 122.820 -0.078 0.000 2.425 3071 A HA 0.159 4.480 4.320 0.002 0.000 0.249 3071 A C 0.385 177.768 177.584 -0.335 0.000 1.084 3071 A CA -0.294 51.646 52.037 -0.161 0.000 0.781 3071 A CB -0.101 18.872 19.000 -0.045 0.000 1.019 3071 A HN 0.430 nan 8.150 nan 0.000 0.490 3072 E N 2.713 122.828 120.200 -0.142 0.000 2.384 3072 E HA 0.229 4.580 4.350 0.002 0.000 0.266 3072 E C -2.128 174.452 176.600 -0.034 0.000 1.012 3072 E CA -1.604 54.737 56.400 -0.098 0.000 0.901 3072 E CB 0.140 29.837 29.700 -0.005 0.000 0.967 3072 E HN 0.486 nan 8.360 nan 0.000 0.435 3073 P HA 0.122 nan 4.420 nan 0.000 0.275 3073 P C -0.773 176.572 177.300 0.074 0.000 1.228 3073 P CA -0.380 62.675 63.100 -0.074 0.000 0.786 3073 P CB 0.280 31.948 31.700 -0.053 0.000 0.927 3074 W N 1.359 122.690 121.300 0.051 0.000 2.578 3074 W HA 0.573 5.233 4.660 0.001 0.000 0.346 3074 W C 0.735 177.232 176.519 -0.037 0.000 1.075 3074 W CA -0.604 56.754 57.345 0.021 0.000 1.233 3074 W CB -0.267 29.231 29.460 0.063 0.000 1.358 3074 W HN 0.178 nan 8.180 nan 0.000 0.574 3075 S N 1.204 116.948 115.700 0.073 0.000 2.343 3075 S HA -0.055 4.416 4.470 0.002 0.000 0.212 3075 S C 0.895 175.323 174.600 -0.287 0.000 1.033 3075 S CA 0.854 58.881 58.200 -0.289 0.000 1.004 3075 S CB -0.533 62.265 63.200 -0.669 0.000 0.977 3075 S HN 0.455 nan 8.310 nan 0.000 0.427 3076 F N 0.923 120.997 119.950 0.207 0.000 2.310 3076 F HA 0.386 4.914 4.527 0.001 0.000 0.209 3076 F C 0.623 176.592 175.800 0.280 0.000 0.781 3076 F CA -0.945 57.165 58.000 0.184 0.000 1.090 3076 F CB -0.589 38.485 39.000 0.122 0.000 2.167 3076 F HN -0.121 nan 8.300 nan 0.000 0.662 3077 V N 0.826 121.010 119.914 0.451 0.000 2.498 3077 V HA 0.180 4.300 4.120 0.002 0.000 0.279 3077 V C -0.142 176.096 176.094 0.240 0.000 1.048 3077 V CA -0.935 61.562 62.300 0.329 0.000 0.967 3077 V CB 1.011 32.962 31.823 0.215 0.000 0.988 3077 V HN 0.420 nan 8.190 nan 0.000 0.473 3078 K N 4.439 124.947 120.400 0.180 0.000 2.240 3078 K HA 0.295 4.616 4.320 0.002 0.000 0.271 3078 K C -0.280 176.306 176.600 -0.023 0.000 1.018 3078 K CA -0.640 55.601 56.287 -0.077 0.000 0.874 3078 K CB 0.541 32.693 32.500 -0.581 0.000 1.098 3078 K HN 0.617 nan 8.250 nan 0.000 0.458 3079 N N 2.940 121.615 118.700 -0.042 0.000 2.406 3079 N HA 0.030 4.771 4.740 0.002 0.000 0.265 3079 N C -0.602 174.870 175.510 -0.063 0.000 1.203 3079 N CA 0.109 53.138 53.050 -0.036 0.000 0.945 3079 N CB 1.356 39.812 38.487 -0.053 0.000 1.165 3079 N HN 0.585 nan 8.380 nan 0.000 0.485 3080 A N 1.958 124.772 122.820 -0.010 0.000 3.293 3080 A HA 0.202 4.523 4.320 0.002 0.000 0.282 3080 A C 0.850 178.381 177.584 -0.088 0.000 1.394 3080 A CA -0.542 51.488 52.037 -0.012 0.000 1.118 3080 A CB -0.565 18.531 19.000 0.159 0.000 1.133 3080 A HN 0.508 nan 8.150 nan 0.000 0.627 3081 T N -3.117 111.354 114.554 -0.139 0.000 3.415 3081 T HA 0.494 4.845 4.350 0.002 0.000 0.282 3081 T C -0.046 174.520 174.700 -0.223 0.000 1.007 3081 T CA 0.013 61.996 62.100 -0.194 0.000 0.958 3081 T CB -0.192 68.579 68.868 -0.163 0.000 1.171 3081 T HN 0.335 nan 8.240 nan 0.000 0.500 3082 S N 0.075 115.630 115.700 -0.242 0.000 2.541 3082 S HA 0.609 5.080 4.470 0.002 0.000 0.271 3082 S C -1.589 172.859 174.600 -0.254 0.000 1.133 3082 S CA -0.666 57.391 58.200 -0.238 0.000 0.876 3082 S CB 0.872 63.976 63.200 -0.160 0.000 1.105 3082 S HN 0.316 nan 8.310 nan 0.000 0.470 3083 Y N 4.012 124.248 120.300 -0.108 0.000 2.442 3083 Y HA 0.278 4.829 4.550 0.002 0.000 0.330 3083 Y C -1.319 174.480 175.900 -0.169 0.000 1.129 3083 Y CA -1.135 56.901 58.100 -0.107 0.000 1.365 3083 Y CB 0.255 38.670 38.460 -0.075 0.000 1.233 3083 Y HN 0.489 nan 8.280 nan 0.000 0.529 3084 P HA 0.206 nan 4.420 nan 0.000 0.274 3084 P C -2.722 174.503 177.300 -0.125 0.000 1.256 3084 P CA -1.592 61.362 63.100 -0.243 0.000 0.795 3084 P CB 0.607 32.119 31.700 -0.314 0.000 1.038 3085 P HA 0.266 nan 4.420 nan 0.000 0.276 3085 P C -0.169 177.093 177.300 -0.062 0.000 1.244 3085 P CA -0.207 62.835 63.100 -0.097 0.000 0.801 3085 P CB 0.291 31.932 31.700 -0.098 0.000 1.006 3086 M N 0.108 119.656 119.600 -0.087 0.000 2.409 3086 M HA 0.484 4.965 4.480 0.002 0.000 0.329 3086 M C -0.727 175.496 176.300 -0.128 0.000 1.180 3086 M CA -0.580 54.663 55.300 -0.095 0.000 1.053 3086 M CB 0.606 33.130 32.600 -0.127 0.000 1.586 3086 M HN 0.117 nan 8.290 nan 0.000 0.461 3087 c N 1.919 120.437 118.600 -0.136 0.000 2.634 3087 c HA 0.120 4.691 4.570 0.002 0.000 0.417 3087 c C 0.907 174.822 174.090 -0.292 0.000 1.334 3087 c CA -0.200 56.004 56.329 -0.209 0.000 1.829 3087 c CB -0.506 41.905 42.510 -0.166 0.000 2.665 3087 c HN 0.864 nan 8.230 nan 0.000 0.614 3088 T N 4.691 118.937 114.554 -0.513 0.000 2.849 3088 T HA 0.244 4.595 4.350 0.002 0.000 0.289 3088 T C 0.121 174.582 174.700 -0.397 0.000 1.010 3088 T CA 0.516 62.248 62.100 -0.614 0.000 1.161 3088 T CB -0.177 67.932 68.868 -1.265 0.000 0.989 3088 T HN 0.891 nan 8.240 nan 0.000 0.523 3089 Q N 1.338 121.041 119.800 -0.161 0.000 2.814 3089 Q HA 0.344 4.685 4.340 0.002 0.000 0.322 3089 Q C -1.559 174.466 176.000 0.041 0.000 0.861 3089 Q CA -1.130 54.678 55.803 0.009 0.000 0.773 3089 Q CB 0.930 29.662 28.738 -0.010 0.000 1.423 3089 Q HN 0.376 nan 8.270 nan 0.000 0.495 3090 D N 2.107 122.554 120.400 0.078 0.000 2.349 3090 D HA 0.076 4.717 4.640 0.002 0.000 0.266 3090 D C -1.310 174.999 176.300 0.014 0.000 1.293 3090 D CA -1.570 52.470 54.000 0.066 0.000 0.926 3090 D CB 1.131 41.979 40.800 0.079 0.000 1.090 3090 D HN 0.282 nan 8.370 nan 0.000 0.502 3091 P HA -0.208 nan 4.420 nan 0.000 0.216 3091 P C 1.318 178.601 177.300 -0.028 0.000 1.153 3091 P CA 1.213 64.298 63.100 -0.025 0.000 0.858 3091 P CB 0.442 32.129 31.700 -0.023 0.000 0.789 3092 K N -0.036 120.355 120.400 -0.014 0.000 2.001 3092 K HA -0.051 4.270 4.320 0.002 0.000 0.208 3092 K C 2.289 178.872 176.600 -0.028 0.000 1.048 3092 K CA 1.333 57.609 56.287 -0.019 0.000 0.932 3092 K CB -0.586 31.909 32.500 -0.008 0.000 0.715 3092 K HN -0.058 nan 8.250 nan 0.000 0.437 3093 A N 0.726 123.536 122.820 -0.017 0.000 1.908 3093 A HA -0.100 4.221 4.320 0.002 0.000 0.218 3093 A C 2.318 179.869 177.584 -0.054 0.000 1.181 3093 A CA 2.011 54.032 52.037 -0.026 0.000 0.627 3093 A CB -1.175 17.828 19.000 0.005 0.000 0.818 3093 A HN 0.568 nan 8.150 nan 0.000 0.445 3094 G N -1.092 107.677 108.800 -0.051 0.000 2.422 3094 G HA2 -0.187 3.773 3.960 0.002 0.000 0.218 3094 G HA3 -0.187 3.773 3.960 0.002 0.000 0.218 3094 G C 1.595 176.433 174.900 -0.104 0.000 1.140 3094 G CA 1.105 46.156 45.100 -0.081 0.000 0.775 3094 G HN 0.628 nan 8.290 nan 0.000 0.545 3095 Q N -0.619 119.131 119.800 -0.084 0.000 2.123 3095 Q HA 0.036 4.377 4.340 0.002 0.000 0.199 3095 Q C 2.314 178.260 176.000 -0.090 0.000 0.966 3095 Q CA 0.815 56.565 55.803 -0.087 0.000 0.845 3095 Q CB -0.251 28.448 28.738 -0.065 0.000 0.907 3095 Q HN 0.341 nan 8.270 nan 0.000 0.439 3096 L N 0.221 121.394 121.223 -0.083 0.000 1.994 3096 L HA -0.113 4.228 4.340 0.002 0.000 0.208 3096 L C 2.081 178.870 176.870 -0.135 0.000 1.071 3096 L CA 1.635 56.426 54.840 -0.082 0.000 0.745 3096 L CB -0.929 41.087 42.059 -0.071 0.000 0.892 3096 L HN 0.460 nan 8.230 nan 0.000 0.431 3097 L N -1.160 119.944 121.223 -0.197 0.000 2.079 3097 L HA -0.186 4.154 4.340 0.002 0.000 0.210 3097 L C 2.668 179.345 176.870 -0.320 0.000 1.081 3097 L CA 2.084 56.709 54.840 -0.357 0.000 0.752 3097 L CB -0.907 40.946 42.059 -0.344 0.000 0.896 3097 L HN 0.436 nan 8.230 nan 0.000 0.433 3098 S N -0.765 114.807 115.700 -0.212 0.000 2.368 3098 S HA -0.205 4.266 4.470 0.002 0.000 0.225 3098 S C 1.834 176.344 174.600 -0.150 0.000 1.030 3098 S CA 1.605 59.686 58.200 -0.199 0.000 0.999 3098 S CB -0.304 62.785 63.200 -0.185 0.000 0.844 3098 S HN 0.674 nan 8.310 nan 0.000 0.459 3099 E N 0.176 120.317 120.200 -0.098 0.000 2.285 3099 E HA 0.026 4.377 4.350 0.002 0.000 0.194 3099 E C 1.771 178.400 176.600 0.050 0.000 0.997 3099 E CA 0.661 57.042 56.400 -0.032 0.000 0.845 3099 E CB -0.085 29.606 29.700 -0.015 0.000 0.782 3099 E HN 0.499 nan 8.360 nan 0.000 0.491 3100 L N -0.432 120.816 121.223 0.043 0.000 2.509 3100 L HA 0.037 4.378 4.340 0.002 0.000 0.222 3100 L C 1.311 178.487 176.870 0.510 0.000 1.123 3100 L CA 0.231 55.198 54.840 0.212 0.000 0.856 3100 L CB 0.217 42.332 42.059 0.094 0.000 0.985 3100 L HN 0.090 nan 8.230 nan 0.000 0.456 3101 F N -1.432 118.493 119.950 -0.042 0.000 2.752 3101 F HA 0.191 4.719 4.527 0.001 0.000 0.310 3101 F C 1.534 177.031 175.800 -0.504 0.000 1.097 3101 F CA -0.602 57.248 58.000 -0.250 0.000 1.238 3101 F CB -0.434 38.425 39.000 -0.235 0.000 1.061 3101 F HN -0.243 nan 8.300 nan 0.000 0.591 3102 T N 2.567 116.998 114.554 -0.205 0.000 2.946 3102 T HA -0.047 4.304 4.350 0.002 0.000 0.312 3102 T C 1.342 175.868 174.700 -0.290 0.000 1.066 3102 T CA 0.327 62.221 62.100 -0.344 0.000 1.138 3102 T CB 0.291 69.021 68.868 -0.231 0.000 1.014 3102 T HN 0.402 nan 8.240 nan 0.000 0.544 3103 N N 4.112 122.589 118.700 -0.373 0.000 2.282 3103 N HA 0.006 4.747 4.740 0.002 0.000 0.185 3103 N C 0.492 175.886 175.510 -0.194 0.000 1.099 3103 N CA -0.318 52.554 53.050 -0.297 0.000 0.878 3103 N CB 0.140 38.435 38.487 -0.319 0.000 0.993 3103 N HN 0.695 nan 8.380 nan 0.000 0.481 3104 R N 0.645 121.046 120.500 -0.165 0.000 2.560 3104 R HA 0.310 4.651 4.340 0.002 0.000 0.270 3104 R C 0.945 177.212 176.300 -0.054 0.000 1.074 3104 R CA -0.743 55.304 56.100 -0.088 0.000 1.140 3104 R CB 1.672 31.930 30.300 -0.070 0.000 1.073 3104 R HN -0.198 nan 8.270 nan 0.000 0.527 3105 K N 0.940 121.332 120.400 -0.013 0.000 1.970 3105 K HA -0.227 4.094 4.320 0.002 0.000 0.225 3105 K C -0.070 176.535 176.600 0.007 0.000 1.045 3105 K CA 2.206 58.501 56.287 0.014 0.000 1.002 3105 K CB -0.243 32.276 32.500 0.032 0.000 0.743 3105 K HN 0.816 nan 8.250 nan 0.000 0.445 3106 E N 0.980 121.182 120.200 0.004 0.000 2.331 3106 E HA 0.075 4.426 4.350 0.002 0.000 0.272 3106 E C -0.768 175.810 176.600 -0.037 0.000 1.036 3106 E CA -0.616 55.781 56.400 -0.006 0.000 0.864 3106 E CB 0.894 30.595 29.700 0.003 0.000 1.035 3106 E HN 0.152 nan 8.360 nan 0.000 0.408 3107 N N 3.105 121.776 118.700 -0.048 0.000 2.430 3107 N HA 0.101 4.842 4.740 0.002 0.000 0.265 3107 N C -0.722 174.724 175.510 -0.107 0.000 1.100 3107 N CA -0.503 52.493 53.050 -0.089 0.000 0.961 3107 N CB 0.425 38.865 38.487 -0.079 0.000 1.075 3107 N HN 0.461 nan 8.380 nan 0.000 0.478 3108 I N 5.289 125.755 120.570 -0.173 0.000 2.517 3108 I HA 0.159 4.330 4.170 0.002 0.000 0.285 3108 I C -1.775 174.231 176.117 -0.185 0.000 1.106 3108 I CA -1.982 59.194 61.300 -0.206 0.000 1.402 3108 I CB 0.217 37.946 38.000 -0.452 0.000 1.399 3108 I HN 0.480 nan 8.210 nan 0.000 0.535 3109 P HA 0.300 nan 4.420 nan 0.000 0.276 3109 P C -0.688 176.549 177.300 -0.106 0.000 1.253 3109 P CA -0.184 62.858 63.100 -0.097 0.000 0.766 3109 P CB 1.137 32.800 31.700 -0.060 0.000 0.845 3110 L N 3.316 124.469 121.223 -0.117 0.000 2.332 3110 L HA 0.507 4.847 4.340 0.002 0.000 0.269 3110 L C 0.950 177.767 176.870 -0.089 0.000 1.016 3110 L CA -1.029 53.744 54.840 -0.111 0.000 0.809 3110 L CB 1.414 43.391 42.059 -0.138 0.000 1.280 3110 L HN 0.262 nan 8.230 nan 0.000 0.447 3111 K N 1.342 121.691 120.400 -0.085 0.000 2.221 3111 K HA 0.655 4.976 4.320 0.002 0.000 0.243 3111 K C -1.222 175.319 176.600 -0.098 0.000 0.968 3111 K CA -0.755 55.483 56.287 -0.082 0.000 0.846 3111 K CB 2.091 34.546 32.500 -0.075 0.000 1.141 3111 K HN 0.353 nan 8.250 nan 0.000 0.434 3112 L N 0.804 121.966 121.223 -0.102 0.000 2.334 3112 L HA 0.548 4.889 4.340 0.002 0.000 0.275 3112 L C -0.022 176.762 176.870 -0.143 0.000 1.036 3112 L CA -0.548 54.212 54.840 -0.134 0.000 0.807 3112 L CB 1.718 43.695 42.059 -0.136 0.000 1.231 3112 L HN 0.642 nan 8.230 nan 0.000 0.438 3113 S N 0.146 115.733 115.700 -0.188 0.000 2.608 3113 S HA 0.144 4.614 4.470 0.002 0.000 0.285 3113 S C -0.003 174.445 174.600 -0.252 0.000 1.108 3113 S CA -0.610 57.480 58.200 -0.183 0.000 0.858 3113 S CB 1.383 64.516 63.200 -0.112 0.000 1.077 3113 S HN 0.767 nan 8.310 nan 0.000 0.450 3114 E N 0.945 120.985 120.200 -0.267 0.000 2.347 3114 E HA -0.050 4.301 4.350 0.002 0.000 0.196 3114 E C -0.280 176.208 176.600 -0.187 0.000 1.008 3114 E CA 0.441 56.652 56.400 -0.315 0.000 0.852 3114 E CB 0.064 29.618 29.700 -0.243 0.000 0.783 3114 E HN 0.501 nan 8.360 nan 0.000 0.505 3115 D N 0.639 120.970 120.400 -0.115 0.000 2.517 3115 D HA 0.002 4.643 4.640 0.002 0.000 0.220 3115 D C -0.038 176.311 176.300 0.080 0.000 1.158 3115 D CA -0.347 53.630 54.000 -0.038 0.000 0.992 3115 D CB -0.123 40.681 40.800 0.007 0.000 1.058 3115 D HN 0.155 nan 8.370 nan 0.000 0.516 3116 c N 2.194 120.792 118.600 -0.002 0.000 3.365 3116 c HA 0.392 4.963 4.570 0.002 0.000 0.266 3116 c C 0.738 174.838 174.090 0.017 0.000 1.631 3116 c CA -0.710 55.680 56.329 0.101 0.000 1.789 3116 c CB -1.354 41.143 42.510 -0.021 0.000 3.088 3116 c HN 0.424 nan 8.230 nan 0.000 0.547 3117 L N 2.262 123.268 121.223 -0.361 0.000 2.437 3117 L HA 0.363 4.704 4.340 0.002 0.000 0.243 3117 L C -0.666 175.596 176.870 -1.014 0.000 1.346 3117 L CA 0.454 54.882 54.840 -0.687 0.000 1.233 3117 L CB -0.835 40.661 42.059 -0.938 0.000 1.436 3117 L HN 0.417 nan 8.230 nan 0.000 0.416 3118 Y N 1.096 121.342 120.300 -0.089 0.000 2.630 3118 Y HA 0.722 5.273 4.550 0.001 0.000 0.337 3118 Y C -0.072 175.979 175.900 0.251 0.000 1.051 3118 Y CA -1.323 56.795 58.100 0.031 0.000 1.121 3118 Y CB 1.740 40.180 38.460 -0.034 0.000 1.299 3118 Y HN 0.081 nan 8.280 nan 0.000 0.498 3119 L N -0.367 121.032 121.223 0.294 0.000 2.424 3119 L HA 0.710 5.051 4.340 0.002 0.000 0.258 3119 L C -1.560 175.364 176.870 0.090 0.000 0.995 3119 L CA -1.278 53.659 54.840 0.162 0.000 0.821 3119 L CB 1.667 43.724 42.059 -0.004 0.000 1.383 3119 L HN 0.392 nan 8.230 nan 0.000 0.410 3120 N N 1.891 120.673 118.700 0.136 0.000 2.362 3120 N HA 0.719 5.460 4.740 0.002 0.000 0.298 3120 N C -1.106 174.445 175.510 0.068 0.000 1.048 3120 N CA -0.203 52.901 53.050 0.090 0.000 0.858 3120 N CB 2.433 41.042 38.487 0.204 0.000 1.218 3120 N HN 0.705 nan 8.380 nan 0.000 0.488 3121 I N 1.876 122.395 120.570 -0.085 0.000 2.474 3121 I HA 0.337 4.508 4.170 0.002 0.000 0.294 3121 I C -1.064 174.966 176.117 -0.145 0.000 1.005 3121 I CA -0.768 60.512 61.300 -0.034 0.000 1.113 3121 I CB 1.179 39.056 38.000 -0.205 0.000 1.289 3121 I HN 0.342 nan 8.210 nan 0.000 0.436 3122 Y N 3.221 123.634 120.300 0.188 0.000 2.349 3122 Y HA 0.385 4.935 4.550 0.002 0.000 0.324 3122 Y C 0.128 176.148 175.900 0.199 0.000 1.005 3122 Y CA -0.694 57.521 58.100 0.192 0.000 1.240 3122 Y CB 2.066 40.621 38.460 0.158 0.000 1.117 3122 Y HN 0.339 nan 8.280 nan 0.000 0.463 3123 T N 5.116 119.875 114.554 0.341 0.000 2.841 3123 T HA 0.370 4.721 4.350 0.002 0.000 0.285 3123 T C -2.319 172.538 174.700 0.262 0.000 0.991 3123 T CA -2.265 60.016 62.100 0.302 0.000 0.966 3123 T CB 1.421 70.504 68.868 0.357 0.000 0.962 3123 T HN 0.353 nan 8.240 nan 0.000 0.438 3124 P HA 0.291 nan 4.420 nan 0.000 0.261 3124 P C 0.271 177.665 177.300 0.156 0.000 1.268 3124 P CA -0.163 63.031 63.100 0.156 0.000 0.833 3124 P CB 0.076 31.833 31.700 0.094 0.000 1.231 3125 A N 0.929 123.855 122.820 0.175 0.000 2.445 3125 A HA 0.127 4.448 4.320 0.002 0.000 0.242 3125 A C 0.095 177.778 177.584 0.165 0.000 1.075 3125 A CA 0.001 52.129 52.037 0.152 0.000 0.777 3125 A CB -0.347 18.744 19.000 0.153 0.000 1.013 3125 A HN -0.051 nan 8.150 nan 0.000 0.493 3126 D N 2.159 122.633 120.400 0.123 0.000 2.453 3126 D HA 0.267 4.908 4.640 0.002 0.000 0.223 3126 D C 1.148 177.519 176.300 0.119 0.000 1.183 3126 D CA -0.067 54.004 54.000 0.117 0.000 0.933 3126 D CB -0.179 40.664 40.800 0.073 0.000 1.038 3126 D HN 0.428 nan 8.370 nan 0.000 0.513 3127 L N 2.316 123.637 121.223 0.163 0.000 2.197 3127 L HA -0.220 4.121 4.340 0.002 0.000 0.215 3127 L C 2.426 179.347 176.870 0.085 0.000 1.095 3127 L CA 1.610 56.526 54.840 0.126 0.000 0.764 3127 L CB -0.986 41.173 42.059 0.166 0.000 0.897 3127 L HN 0.489 nan 8.230 nan 0.000 0.436 3128 T N -2.688 111.922 114.554 0.093 0.000 3.098 3128 T HA -0.062 4.289 4.350 0.002 0.000 0.266 3128 T C 0.728 175.453 174.700 0.041 0.000 1.145 3128 T CA 0.634 62.772 62.100 0.063 0.000 1.092 3128 T CB -0.025 68.878 68.868 0.059 0.000 0.908 3128 T HN 0.292 nan 8.240 nan 0.000 0.526 3129 K N 0.525 120.951 120.400 0.043 0.000 2.482 3129 K HA 0.408 4.729 4.320 0.002 0.000 0.257 3129 K C -0.989 175.628 176.600 0.028 0.000 0.969 3129 K CA -1.043 55.262 56.287 0.030 0.000 0.842 3129 K CB 2.220 34.737 32.500 0.029 0.000 1.359 3129 K HN 0.020 nan 8.250 nan 0.000 0.441 3130 K N 2.046 122.456 120.400 0.017 0.000 2.416 3130 K HA 0.048 4.369 4.320 0.002 0.000 0.283 3130 K C -0.994 175.620 176.600 0.023 0.000 1.037 3130 K CA 0.562 56.857 56.287 0.013 0.000 0.995 3130 K CB 0.194 32.696 32.500 0.004 0.000 0.938 3130 K HN 0.561 nan 8.250 nan 0.000 0.475 3131 N N 3.122 121.841 118.700 0.031 0.000 2.260 3131 N HA 0.278 5.019 4.740 0.002 0.000 0.293 3131 N C -1.384 174.151 175.510 0.041 0.000 1.058 3131 N CA -0.901 52.174 53.050 0.042 0.000 0.824 3131 N CB 1.459 39.984 38.487 0.064 0.000 1.551 3131 N HN 0.349 nan 8.380 nan 0.000 0.475 3132 R N 1.911 122.431 120.500 0.033 0.000 3.026 3132 R HA 0.370 4.710 4.340 0.002 0.000 0.317 3132 R C -0.869 175.450 176.300 0.031 0.000 1.278 3132 R CA -0.355 55.761 56.100 0.027 0.000 1.407 3132 R CB 0.039 30.342 30.300 0.005 0.000 1.368 3132 R HN 0.430 nan 8.270 nan 0.000 0.612 3133 L N 2.116 123.371 121.223 0.053 0.000 2.452 3133 L HA 0.367 4.708 4.340 0.002 0.000 0.267 3133 L C -1.618 175.283 176.870 0.052 0.000 1.188 3133 L CA -1.865 53.008 54.840 0.054 0.000 0.821 3133 L CB 0.361 42.466 42.059 0.078 0.000 1.102 3133 L HN 0.104 nan 8.230 nan 0.000 0.470 3134 P HA 0.031 nan 4.420 nan 0.000 0.269 3134 P C -0.865 176.475 177.300 0.066 0.000 1.209 3134 P CA -0.103 63.016 63.100 0.032 0.000 0.776 3134 P CB 0.913 32.617 31.700 0.006 0.000 0.876 3135 V N 4.747 124.711 119.914 0.084 0.000 2.398 3135 V HA 0.350 4.471 4.120 0.002 0.000 0.286 3135 V C 0.613 176.787 176.094 0.134 0.000 1.026 3135 V CA -0.301 62.074 62.300 0.126 0.000 0.868 3135 V CB 0.978 32.889 31.823 0.146 0.000 0.982 3135 V HN 0.490 nan 8.190 nan 0.000 0.443 3136 M N 5.086 124.784 119.600 0.164 0.000 2.114 3136 M HA 0.487 4.968 4.480 0.002 0.000 0.332 3136 M C -1.060 175.516 176.300 0.460 0.000 1.014 3136 M CA -0.573 54.840 55.300 0.189 0.000 0.956 3136 M CB 1.911 34.489 32.600 -0.036 0.000 1.551 3136 M HN 0.370 nan 8.290 nan 0.000 0.427 3137 V N 3.547 123.756 119.914 0.492 0.000 2.370 3137 V HA 0.305 4.426 4.120 0.002 0.000 0.279 3137 V C -0.609 175.798 176.094 0.521 0.000 1.029 3137 V CA -0.609 61.955 62.300 0.439 0.000 0.870 3137 V CB 1.183 33.147 31.823 0.236 0.000 0.984 3137 V HN 0.841 nan 8.190 nan 0.000 0.451 3138 W N 6.949 128.338 121.300 0.148 0.000 2.390 3138 W HA 0.626 5.287 4.660 0.002 0.000 0.312 3138 W C -1.278 175.129 176.519 -0.187 0.000 1.123 3138 W CA -0.864 56.310 57.345 -0.284 0.000 1.202 3138 W CB 1.311 30.582 29.460 -0.314 0.000 1.251 3138 W HN 0.439 nan 8.180 nan 0.000 0.511 3139 I N 7.057 126.974 120.570 -1.089 0.000 2.390 3139 I HA 0.042 4.213 4.170 0.002 0.000 0.283 3139 I C 0.364 175.765 176.117 -1.194 0.000 1.016 3139 I CA -0.875 59.927 61.300 -0.830 0.000 1.151 3139 I CB 0.915 38.580 38.000 -0.559 0.000 1.293 3139 I HN 0.463 nan 8.210 nan 0.000 0.458 3140 H N 4.488 123.172 119.070 -0.643 0.000 2.745 3140 H HA 0.599 5.156 4.556 0.001 0.000 0.373 3140 H C 0.277 175.591 175.328 -0.024 0.000 1.226 3140 H CA -0.357 55.507 56.048 -0.306 0.000 1.435 3140 H CB 0.567 30.426 29.762 0.162 0.000 1.461 3140 H HN 0.568 nan 8.280 nan 0.000 0.616 3141 G N -1.716 107.311 108.800 0.379 0.000 2.887 3141 G HA2 0.518 4.479 3.960 0.002 0.000 0.277 3141 G HA3 0.518 4.479 3.960 0.002 0.000 0.277 3141 G C 0.147 175.332 174.900 0.474 0.000 1.346 3141 G CA -1.110 44.206 45.100 0.359 0.000 1.058 3141 G HN 1.454 nan 8.290 nan 0.000 0.535 3142 G N -2.570 106.428 108.800 0.330 0.000 2.542 3142 G HA2 0.426 4.387 3.960 0.002 0.000 0.223 3142 G HA3 0.426 4.387 3.960 0.002 0.000 0.223 3142 G C 0.980 175.979 174.900 0.164 0.000 1.041 3142 G CA 0.764 46.001 45.100 0.228 0.000 0.928 3142 G HN 2.306 nan 8.290 nan 0.000 0.558 3143 G N -0.066 108.823 108.800 0.149 0.000 2.212 3143 G HA2 -0.203 3.758 3.960 0.002 0.000 0.267 3143 G HA3 -0.203 3.758 3.960 0.002 0.000 0.267 3143 G C 1.172 176.068 174.900 -0.007 0.000 1.002 3143 G CA 0.772 45.911 45.100 0.064 0.000 0.729 3143 G HN 1.750 nan 8.290 nan 0.000 0.517 3144 L N -3.547 117.708 121.223 0.054 0.000 4.884 3144 L HA -0.277 4.064 4.340 0.002 0.000 0.430 3144 L C 2.008 178.945 176.870 0.111 0.000 1.087 3144 L CA 1.677 56.543 54.840 0.043 0.000 1.033 3144 L CB -1.336 40.475 42.059 -0.414 0.000 2.030 3144 L HN 0.429 nan 8.230 nan 0.000 0.762 3145 M N -1.336 118.316 119.600 0.087 0.000 2.638 3145 M HA 0.332 4.813 4.480 0.002 0.000 0.256 3145 M C 0.782 177.145 176.300 0.104 0.000 1.282 3145 M CA 1.175 56.523 55.300 0.079 0.000 1.155 3145 M CB 0.310 32.924 32.600 0.023 0.000 1.345 3145 M HN 0.208 nan 8.290 nan 0.000 0.523 3146 V N -2.757 117.214 119.914 0.094 0.000 3.182 3146 V HA 1.055 5.176 4.120 0.002 0.000 0.308 3146 V C -0.277 175.834 176.094 0.027 0.000 1.240 3146 V CA -0.244 62.078 62.300 0.038 0.000 1.063 3146 V CB 1.346 33.174 31.823 0.007 0.000 1.076 3146 V HN 0.517 nan 8.190 nan 0.000 0.446 3147 G N -0.616 108.108 108.800 -0.126 0.000 2.347 3147 G HA2 0.674 4.635 3.960 0.002 0.000 0.477 3147 G HA3 0.674 4.635 3.960 0.002 0.000 0.477 3147 G C -0.685 173.807 174.900 -0.680 0.000 1.349 3147 G CA -0.109 44.756 45.100 -0.391 0.000 1.000 3147 G HN 2.765 nan 8.290 nan 0.000 0.605 3148 A N -1.717 120.545 122.820 -0.930 0.000 2.567 3148 A HA 0.999 5.320 4.320 0.002 0.000 0.291 3148 A C 0.598 178.128 177.584 -0.090 0.000 1.048 3148 A CA 0.820 52.587 52.037 -0.450 0.000 0.661 3148 A CB 0.570 19.439 19.000 -0.219 0.000 1.288 3148 A HN 2.538 nan 8.150 nan 0.000 0.424 3149 A N 0.117 123.032 122.820 0.158 0.000 1.975 3149 A HA 0.239 4.560 4.320 0.002 0.000 0.215 3149 A C 1.969 179.718 177.584 0.274 0.000 1.170 3149 A CA 2.084 54.331 52.037 0.351 0.000 0.656 3149 A CB -0.706 18.501 19.000 0.346 0.000 0.821 3149 A HN 1.228 nan 8.150 nan 0.000 0.449 3150 S N 0.212 115.983 115.700 0.119 0.000 2.440 3150 S HA -0.137 4.334 4.470 0.002 0.000 0.238 3150 S C 1.875 176.380 174.600 -0.158 0.000 1.010 3150 S CA 1.685 59.884 58.200 -0.002 0.000 0.972 3150 S CB -0.522 62.534 63.200 -0.241 0.000 0.774 3150 S HN 0.704 nan 8.310 nan 0.000 0.501 3151 T N 0.762 115.206 114.554 -0.182 0.000 2.759 3151 T HA -0.105 4.246 4.350 0.002 0.000 0.269 3151 T C 0.053 174.387 174.700 -0.610 0.000 1.042 3151 T CA 1.141 62.987 62.100 -0.424 0.000 1.140 3151 T CB -0.307 68.230 68.868 -0.551 0.000 0.864 3151 T HN 0.421 nan 8.240 nan 0.000 0.455 3152 Y N 1.710 121.826 120.300 -0.307 0.000 2.404 3152 Y HA 0.449 5.000 4.550 0.001 0.000 0.344 3152 Y C 0.053 175.671 175.900 -0.470 0.000 0.970 3152 Y CA -2.217 55.505 58.100 -0.630 0.000 1.180 3152 Y CB 0.361 38.148 38.460 -1.121 0.000 1.138 3152 Y HN -0.080 nan 8.280 nan 0.000 0.510 3153 D N 2.317 122.523 120.400 -0.325 0.000 2.295 3153 D HA 0.183 4.824 4.640 0.002 0.000 0.248 3153 D C 0.961 176.987 176.300 -0.458 0.000 1.154 3153 D CA -0.139 53.685 54.000 -0.294 0.000 0.857 3153 D CB 1.600 42.325 40.800 -0.125 0.000 1.117 3153 D HN 0.834 nan 8.370 nan 0.000 0.468 3154 G N 3.231 111.363 108.800 -1.114 0.000 3.141 3154 G HA2 -0.082 3.879 3.960 0.002 0.000 0.218 3154 G HA3 -0.082 3.879 3.960 0.002 0.000 0.218 3154 G C 1.283 175.938 174.900 -0.408 0.000 1.170 3154 G CA -0.121 44.538 45.100 -0.735 0.000 0.769 3154 G HN 0.485 nan 8.290 nan 0.000 0.546 3155 L N 1.652 122.692 121.223 -0.306 0.000 1.970 3155 L HA -0.000 4.340 4.340 0.002 0.000 0.212 3155 L C 2.964 179.809 176.870 -0.042 0.000 1.071 3155 L CA 2.544 57.376 54.840 -0.015 0.000 0.751 3155 L CB -0.754 41.340 42.059 0.058 0.000 0.889 3155 L HN 0.203 nan 8.230 nan 0.000 0.432 3156 A N -0.719 122.084 122.820 -0.029 0.000 1.865 3156 A HA -0.244 4.077 4.320 0.002 0.000 0.217 3156 A C 2.289 179.848 177.584 -0.042 0.000 1.191 3156 A CA 2.196 54.230 52.037 -0.005 0.000 0.623 3156 A CB -1.220 17.814 19.000 0.055 0.000 0.826 3156 A HN 0.540 nan 8.150 nan 0.000 0.444 3157 L N -0.305 120.883 121.223 -0.059 0.000 2.017 3157 L HA -0.066 4.275 4.340 0.002 0.000 0.208 3157 L C 2.671 179.522 176.870 -0.033 0.000 1.073 3157 L CA 2.352 57.148 54.840 -0.073 0.000 0.745 3157 L CB -0.769 41.227 42.059 -0.106 0.000 0.894 3157 L HN 0.352 nan 8.230 nan 0.000 0.432 3158 A N -0.483 122.332 122.820 -0.008 0.000 1.908 3158 A HA -0.126 4.195 4.320 0.002 0.000 0.218 3158 A C 2.420 179.983 177.584 -0.036 0.000 1.181 3158 A CA 2.023 54.080 52.037 0.032 0.000 0.627 3158 A CB -1.168 17.902 19.000 0.117 0.000 0.818 3158 A HN 0.610 nan 8.150 nan 0.000 0.445 3159 A N -1.723 121.000 122.820 -0.162 0.000 1.898 3159 A HA -0.089 4.232 4.320 0.002 0.000 0.214 3159 A C 2.075 179.374 177.584 -0.474 0.000 1.183 3159 A CA 1.276 53.062 52.037 -0.418 0.000 0.622 3159 A CB -0.826 17.688 19.000 -0.809 0.000 0.824 3159 A HN 0.662 nan 8.150 nan 0.000 0.444 3160 H N -0.521 118.291 119.070 -0.429 0.000 2.389 3160 H HA -0.012 4.545 4.556 0.002 0.000 0.299 3160 H C 0.898 176.195 175.328 -0.053 0.000 1.081 3160 H CA 1.519 57.446 56.048 -0.202 0.000 1.345 3160 H CB 0.319 29.918 29.762 -0.273 0.000 1.393 3160 H HN 0.449 nan 8.280 nan 0.000 0.520 3161 E N 0.203 120.436 120.200 0.055 0.000 2.526 3161 E HA -0.002 4.349 4.350 0.002 0.000 0.208 3161 E C -0.112 176.513 176.600 0.041 0.000 0.997 3161 E CA -0.299 56.130 56.400 0.048 0.000 0.961 3161 E CB 0.136 29.857 29.700 0.035 0.000 1.030 3161 E HN 0.338 nan 8.360 nan 0.000 0.483 3162 N N 1.141 119.861 118.700 0.033 0.000 2.641 3162 N HA -0.164 4.576 4.740 0.002 0.000 0.267 3162 N C -0.802 174.741 175.510 0.056 0.000 1.087 3162 N CA 0.744 53.822 53.050 0.046 0.000 0.731 3162 N CB -0.764 37.756 38.487 0.055 0.000 0.886 3162 N HN 0.021 nan 8.380 nan 0.000 0.547 3163 V N -1.771 118.182 119.914 0.065 0.000 2.971 3163 V HA 0.598 4.719 4.120 0.002 0.000 0.309 3163 V C 0.382 176.548 176.094 0.120 0.000 1.130 3163 V CA -1.053 61.294 62.300 0.078 0.000 0.964 3163 V CB 2.048 33.905 31.823 0.056 0.000 1.029 3163 V HN -0.073 nan 8.190 nan 0.000 0.427 3164 V N 3.576 123.576 119.914 0.143 0.000 2.508 3164 V HA 0.325 4.446 4.120 0.002 0.000 0.281 3164 V C 0.288 176.515 176.094 0.222 0.000 1.041 3164 V CA -0.062 62.354 62.300 0.194 0.000 1.016 3164 V CB 1.181 33.119 31.823 0.192 0.000 0.984 3164 V HN 0.730 nan 8.190 nan 0.000 0.478 3165 V N 6.234 126.321 119.914 0.288 0.000 2.394 3165 V HA 0.434 4.555 4.120 0.002 0.000 0.282 3165 V C -0.108 176.237 176.094 0.418 0.000 1.031 3165 V CA -0.445 62.064 62.300 0.348 0.000 0.881 3165 V CB 1.828 33.833 31.823 0.304 0.000 0.982 3165 V HN 0.605 nan 8.190 nan 0.000 0.451 3166 V N 4.203 124.353 119.914 0.394 0.000 2.407 3166 V HA 0.451 4.572 4.120 0.002 0.000 0.291 3166 V C 0.207 176.523 176.094 0.370 0.000 1.018 3166 V CA -0.530 61.972 62.300 0.335 0.000 0.842 3166 V CB 2.065 34.033 31.823 0.241 0.000 0.996 3166 V HN 0.993 nan 8.190 nan 0.000 0.426 3167 T N 3.881 118.661 114.554 0.376 0.000 2.767 3167 T HA 0.796 5.147 4.350 0.002 0.000 0.284 3167 T C -0.367 174.499 174.700 0.277 0.000 0.973 3167 T CA -0.477 61.854 62.100 0.384 0.000 0.996 3167 T CB 1.161 70.285 68.868 0.427 0.000 0.927 3167 T HN 0.634 nan 8.240 nan 0.000 0.456 3168 I N 0.279 120.982 120.570 0.221 0.000 2.750 3168 I HA 0.668 4.839 4.170 0.002 0.000 0.308 3168 I C -0.495 175.778 176.117 0.260 0.000 1.016 3168 I CA -1.273 60.125 61.300 0.163 0.000 1.098 3168 I CB 1.937 39.934 38.000 -0.005 0.000 1.279 3168 I HN 0.556 nan 8.210 nan 0.000 0.454 3169 Q N 2.123 122.112 119.800 0.315 0.000 2.359 3169 Q HA 0.608 4.949 4.340 0.002 0.000 0.275 3169 Q C -1.874 174.324 176.000 0.330 0.000 1.082 3169 Q CA -0.844 55.122 55.803 0.273 0.000 0.849 3169 Q CB 2.779 31.654 28.738 0.228 0.000 1.377 3169 Q HN 0.738 nan 8.270 nan 0.000 0.452 3170 Y N -2.900 117.522 120.300 0.203 0.000 2.558 3170 Y HA 0.500 5.051 4.550 0.001 0.000 0.333 3170 Y C -1.111 174.864 175.900 0.125 0.000 1.125 3170 Y CA -1.407 56.784 58.100 0.151 0.000 1.039 3170 Y CB 0.799 39.306 38.460 0.077 0.000 1.331 3170 Y HN 0.406 nan 8.280 nan 0.000 0.456 3171 R N 2.516 123.120 120.500 0.173 0.000 2.538 3171 R HA 0.350 4.691 4.340 0.002 0.000 0.282 3171 R C -0.890 175.544 176.300 0.224 0.000 1.009 3171 R CA 0.134 56.304 56.100 0.117 0.000 1.063 3171 R CB 0.186 30.556 30.300 0.117 0.000 0.945 3171 R HN 0.658 nan 8.270 nan 0.000 0.414 3172 L N 1.639 123.005 121.223 0.238 0.000 2.331 3172 L HA 0.499 4.840 4.340 0.002 0.000 0.268 3172 L C 1.404 178.570 176.870 0.493 0.000 1.015 3172 L CA -0.297 54.776 54.840 0.388 0.000 0.807 3172 L CB 1.342 43.529 42.059 0.212 0.000 1.293 3172 L HN 0.877 nan 8.230 nan 0.000 0.451 3173 G N 0.555 109.625 108.800 0.450 0.000 2.627 3173 G HA2 -0.344 3.617 3.960 0.002 0.000 0.312 3173 G HA3 -0.344 3.617 3.960 0.002 0.000 0.312 3173 G C 0.872 176.013 174.900 0.402 0.000 1.299 3173 G CA 0.667 45.960 45.100 0.321 0.000 0.989 3173 G HN 0.662 nan 8.290 nan 0.000 0.547 3174 I N -0.459 120.277 120.570 0.277 0.000 2.194 3174 I HA -0.203 3.967 4.170 0.002 0.000 0.246 3174 I C 2.815 179.158 176.117 0.377 0.000 1.093 3174 I CA 2.330 63.748 61.300 0.197 0.000 1.355 3174 I CB -0.344 37.520 38.000 -0.226 0.000 1.046 3174 I HN 0.544 nan 8.210 nan 0.000 0.413 3175 W N 0.658 122.119 121.300 0.269 0.000 2.363 3175 W HA -0.089 4.573 4.660 0.002 0.000 0.296 3175 W C 2.361 178.995 176.519 0.191 0.000 1.212 3175 W CA 1.310 58.711 57.345 0.094 0.000 1.260 3175 W CB -0.804 28.630 29.460 -0.042 0.000 1.131 3175 W HN 0.239 nan 8.180 nan 0.000 0.530 3176 G N -2.310 106.739 108.800 0.415 0.000 2.921 3176 G HA2 0.051 4.012 3.960 0.002 0.000 0.213 3176 G HA3 0.051 4.012 3.960 0.002 0.000 0.213 3176 G C 0.635 175.220 174.900 -0.524 0.000 1.143 3176 G CA 0.045 45.153 45.100 0.014 0.000 0.764 3176 G HN 0.138 nan 8.290 nan 0.000 0.542 3177 F N -0.873 119.304 119.950 0.380 0.000 2.880 3177 F HA 0.406 4.934 4.527 0.001 0.000 0.328 3177 F C 0.134 176.041 175.800 0.179 0.000 1.146 3177 F CA -1.505 56.583 58.000 0.145 0.000 1.135 3177 F CB 0.370 39.385 39.000 0.025 0.000 1.151 3177 F HN -0.006 nan 8.300 nan 0.000 0.523 3178 F N 2.224 122.391 119.950 0.360 0.000 2.541 3178 F HA 0.382 4.909 4.527 0.001 0.000 0.378 3178 F C 0.430 176.331 175.800 0.168 0.000 1.068 3178 F CA 0.199 58.316 58.000 0.194 0.000 1.199 3178 F CB 0.480 39.488 39.000 0.014 0.000 1.091 3178 F HN -0.084 nan 8.300 nan 0.000 0.555 3179 S N 3.749 119.037 115.700 -0.687 0.000 2.557 3179 S HA 0.310 4.780 4.470 0.002 0.000 0.291 3179 S C 0.363 174.560 174.600 -0.672 0.000 1.116 3179 S CA -0.095 57.781 58.200 -0.540 0.000 0.992 3179 S CB 1.336 64.363 63.200 -0.289 0.000 1.028 3179 S HN 0.807 nan 8.310 nan 0.000 0.484 3180 T N 0.999 115.276 114.554 -0.460 0.000 3.086 3180 T HA 0.392 4.743 4.350 0.002 0.000 0.250 3180 T C 1.502 176.122 174.700 -0.134 0.000 1.074 3180 T CA 0.545 62.478 62.100 -0.277 0.000 0.988 3180 T CB -0.138 68.674 68.868 -0.094 0.000 0.988 3180 T HN 1.749 nan 8.240 nan 0.000 0.530 3181 G N 2.057 110.773 108.800 -0.139 0.000 2.179 3181 G HA2 -0.230 3.731 3.960 0.002 0.000 0.260 3181 G HA3 -0.230 3.731 3.960 0.002 0.000 0.260 3181 G C -0.233 174.631 174.900 -0.060 0.000 0.977 3181 G CA 0.409 45.454 45.100 -0.091 0.000 0.641 3181 G HN 0.900 nan 8.290 nan 0.000 0.533 3182 D N -1.598 118.778 120.400 -0.040 0.000 2.781 3182 D HA 0.473 5.114 4.640 0.002 0.000 0.295 3182 D C 1.313 177.584 176.300 -0.050 0.000 1.143 3182 D CA -0.071 53.903 54.000 -0.044 0.000 1.076 3182 D CB -0.270 40.514 40.800 -0.028 0.000 1.444 3182 D HN 0.121 nan 8.370 nan 0.000 0.567 3183 E N -0.327 119.794 120.200 -0.132 0.000 2.401 3183 E HA -0.225 4.126 4.350 0.002 0.000 0.199 3183 E C 0.769 177.326 176.600 -0.071 0.000 1.023 3183 E CA 1.078 57.406 56.400 -0.120 0.000 0.859 3183 E CB -0.521 29.072 29.700 -0.178 0.000 0.780 3183 E HN 0.486 nan 8.360 nan 0.000 0.523 3184 H N 0.533 119.653 119.070 0.084 0.000 2.495 3184 H HA 0.145 4.701 4.556 0.001 0.000 0.287 3184 H C 0.396 175.826 175.328 0.170 0.000 1.033 3184 H CA 1.131 57.241 56.048 0.104 0.000 1.307 3184 H CB 0.476 30.283 29.762 0.075 0.000 1.401 3184 H HN 0.125 nan 8.280 nan 0.000 0.555 3185 S N -0.347 115.528 115.700 0.291 0.000 2.891 3185 S HA 0.168 4.639 4.470 0.002 0.000 0.141 3185 S C 0.812 175.567 174.600 0.258 0.000 0.993 3185 S CA -0.574 57.897 58.200 0.451 0.000 1.051 3185 S CB 0.066 63.472 63.200 0.344 0.000 1.657 3185 S HN 0.182 nan 8.310 nan 0.000 0.482 3186 R N 1.439 122.042 120.500 0.172 0.000 2.096 3186 R HA 0.153 4.494 4.340 0.002 0.000 0.240 3186 R C 1.513 177.581 176.300 -0.386 0.000 1.139 3186 R CA 1.452 57.479 56.100 -0.121 0.000 0.952 3186 R CB -0.292 29.931 30.300 -0.127 0.000 0.854 3186 R HN 0.866 nan 8.270 nan 0.000 0.436 3187 G N -0.703 107.502 108.800 -0.992 0.000 2.396 3187 G HA2 -0.215 3.746 3.960 0.002 0.000 0.254 3187 G HA3 -0.215 3.746 3.960 0.002 0.000 0.254 3187 G C -0.716 173.374 174.900 -1.351 0.000 1.248 3187 G CA -0.355 44.013 45.100 -1.221 0.000 1.033 3187 G HN 0.255 nan 8.290 nan 0.000 0.502 3188 N N -0.710 117.576 118.700 -0.690 0.000 2.693 3188 N HA -0.217 4.524 4.740 0.002 0.000 0.249 3188 N C 1.260 176.479 175.510 -0.486 0.000 1.119 3188 N CA 1.960 54.803 53.050 -0.345 0.000 0.717 3188 N CB -1.359 37.105 38.487 -0.038 0.000 1.071 3188 N HN 0.678 nan 8.380 nan 0.000 0.555 3189 W N 0.483 121.640 121.300 -0.238 0.000 2.321 3189 W HA -0.148 4.513 4.660 0.001 0.000 0.306 3189 W C 2.520 178.875 176.519 -0.273 0.000 1.217 3189 W CA 0.816 58.056 57.345 -0.175 0.000 1.257 3189 W CB -0.730 28.668 29.460 -0.103 0.000 1.145 3189 W HN 0.293 nan 8.180 nan 0.000 0.509 3190 G N -0.181 108.277 108.800 -0.569 0.000 2.440 3190 G HA2 -0.272 3.688 3.960 0.002 0.000 0.218 3190 G HA3 -0.272 3.688 3.960 0.002 0.000 0.218 3190 G C 1.220 175.996 174.900 -0.205 0.000 1.154 3190 G CA 1.385 46.208 45.100 -0.462 0.000 0.767 3190 G HN 0.313 nan 8.290 nan 0.000 0.552 3191 H N 0.166 119.200 119.070 -0.059 0.000 2.428 3191 H HA 0.133 4.690 4.556 0.001 0.000 0.296 3191 H C 2.711 178.035 175.328 -0.007 0.000 1.062 3191 H CA 0.607 56.635 56.048 -0.034 0.000 1.350 3191 H CB -0.215 29.544 29.762 -0.004 0.000 1.403 3191 H HN 0.278 nan 8.280 nan 0.000 0.533 3192 L N 0.523 121.823 121.223 0.128 0.000 2.191 3192 L HA -0.154 4.187 4.340 0.002 0.000 0.212 3192 L C 1.949 178.923 176.870 0.172 0.000 1.103 3192 L CA 0.873 55.800 54.840 0.145 0.000 0.769 3192 L CB -0.162 42.002 42.059 0.174 0.000 0.908 3192 L HN 0.106 nan 8.230 nan 0.000 0.438 3193 D N -0.142 120.373 120.400 0.192 0.000 2.117 3193 D HA -0.175 4.466 4.640 0.002 0.000 0.198 3193 D C 2.283 178.704 176.300 0.201 0.000 0.982 3193 D CA 1.058 55.240 54.000 0.303 0.000 0.828 3193 D CB -0.176 40.834 40.800 0.349 0.000 0.967 3193 D HN 0.399 nan 8.370 nan 0.000 0.464 3194 Q N 0.320 120.176 119.800 0.093 0.000 2.135 3194 Q HA -0.098 4.243 4.340 0.002 0.000 0.204 3194 Q C 2.356 178.341 176.000 -0.027 0.000 0.981 3194 Q CA 0.853 56.640 55.803 -0.026 0.000 0.856 3194 Q CB -0.030 28.650 28.738 -0.097 0.000 0.902 3194 Q HN 0.157 nan 8.270 nan 0.000 0.425 3195 V N 0.988 120.927 119.914 0.043 0.000 2.307 3195 V HA -0.261 3.860 4.120 0.002 0.000 0.245 3195 V C 2.307 178.449 176.094 0.079 0.000 1.045 3195 V CA 1.738 64.077 62.300 0.064 0.000 1.024 3195 V CB -0.957 30.921 31.823 0.092 0.000 0.651 3195 V HN 0.412 nan 8.190 nan 0.000 0.449 3196 A N 0.197 123.095 122.820 0.128 0.000 1.865 3196 A HA -0.200 4.120 4.320 0.002 0.000 0.217 3196 A C 2.424 180.070 177.584 0.103 0.000 1.191 3196 A CA 2.351 54.513 52.037 0.210 0.000 0.623 3196 A CB -0.953 18.283 19.000 0.394 0.000 0.826 3196 A HN 0.596 nan 8.150 nan 0.000 0.444 3197 A N -0.673 121.939 122.820 -0.346 0.000 1.972 3197 A HA -0.023 4.298 4.320 0.002 0.000 0.219 3197 A C 2.151 179.659 177.584 -0.127 0.000 1.169 3197 A CA 1.499 53.081 52.037 -0.758 0.000 0.635 3197 A CB -0.531 17.660 19.000 -1.349 0.000 0.810 3197 A HN 0.492 nan 8.150 nan 0.000 0.446 3198 L N -1.187 120.014 121.223 -0.037 0.000 2.109 3198 L HA -0.121 4.220 4.340 0.002 0.000 0.207 3198 L C 2.814 179.756 176.870 0.120 0.000 1.086 3198 L CA 0.950 55.830 54.840 0.067 0.000 0.760 3198 L CB -0.383 41.719 42.059 0.072 0.000 0.910 3198 L HN 0.365 nan 8.230 nan 0.000 0.437 3199 R N -1.090 119.489 120.500 0.131 0.000 2.092 3199 R HA -0.207 4.134 4.340 0.002 0.000 0.231 3199 R C 2.050 178.444 176.300 0.158 0.000 1.119 3199 R CA 1.624 57.801 56.100 0.129 0.000 0.970 3199 R CB -0.583 29.797 30.300 0.134 0.000 0.864 3199 R HN 0.393 nan 8.270 nan 0.000 0.440 3200 W N 1.599 122.934 121.300 0.059 0.000 2.342 3200 W HA -0.226 4.435 4.660 0.001 0.000 0.297 3200 W C 1.825 178.382 176.519 0.062 0.000 1.213 3200 W CA 1.358 58.757 57.345 0.089 0.000 1.251 3200 W CB -0.106 29.434 29.460 0.135 0.000 1.136 3200 W HN -0.236 nan 8.180 nan 0.000 0.526 3201 V N 0.828 120.927 119.914 0.308 0.000 2.295 3201 V HA -0.338 3.783 4.120 0.002 0.000 0.246 3201 V C 2.448 178.542 176.094 0.001 0.000 1.049 3201 V CA 2.061 64.470 62.300 0.182 0.000 1.024 3201 V CB -1.037 30.919 31.823 0.222 0.000 0.648 3201 V HN 0.196 nan 8.190 nan 0.000 0.447 3202 Q N -0.229 119.584 119.800 0.023 0.000 2.364 3202 Q HA -0.172 4.169 4.340 0.002 0.000 0.209 3202 Q C 1.480 177.433 176.000 -0.079 0.000 0.977 3202 Q CA 1.246 57.049 55.803 0.001 0.000 0.885 3202 Q CB -0.326 28.429 28.738 0.029 0.000 0.941 3202 Q HN 0.672 nan 8.270 nan 0.000 0.464 3203 D N -0.921 119.372 120.400 -0.179 0.000 2.389 3203 D HA 0.059 4.699 4.640 0.002 0.000 0.206 3203 D C 0.961 177.032 176.300 -0.382 0.000 1.055 3203 D CA 0.233 54.080 54.000 -0.255 0.000 0.856 3203 D CB 0.344 40.983 40.800 -0.267 0.000 0.957 3203 D HN 0.202 nan 8.370 nan 0.000 0.509 3204 N N -0.369 118.022 118.700 -0.515 0.000 2.218 3204 N HA 0.024 4.765 4.740 0.002 0.000 0.224 3204 N C 1.381 176.793 175.510 -0.164 0.000 1.248 3204 N CA -0.142 52.600 53.050 -0.513 0.000 0.875 3204 N CB 1.105 38.885 38.487 -1.177 0.000 1.165 3204 N HN -0.048 nan 8.380 nan 0.000 0.485 3205 I N 3.030 123.538 120.570 -0.103 0.000 2.236 3205 I HA -0.260 3.910 4.170 0.002 0.000 0.249 3205 I C 2.315 178.530 176.117 0.163 0.000 1.102 3205 I CA 1.072 62.440 61.300 0.115 0.000 1.365 3205 I CB -0.469 37.589 38.000 0.096 0.000 1.051 3205 I HN 0.130 nan 8.210 nan 0.000 0.420 3206 A N -1.039 121.811 122.820 0.050 0.000 1.948 3206 A HA -0.245 4.076 4.320 0.002 0.000 0.220 3206 A C 2.378 179.968 177.584 0.010 0.000 1.177 3206 A CA 2.244 54.297 52.037 0.026 0.000 0.636 3206 A CB -1.075 17.913 19.000 -0.020 0.000 0.815 3206 A HN 0.485 nan 8.150 nan 0.000 0.449 3207 S N -1.448 114.230 115.700 -0.036 0.000 2.595 3207 S HA 0.056 4.527 4.470 0.002 0.000 0.235 3207 S C 0.513 174.892 174.600 -0.369 0.000 0.974 3207 S CA 0.631 58.705 58.200 -0.210 0.000 0.942 3207 S CB -0.386 62.619 63.200 -0.326 0.000 0.766 3207 S HN 0.561 nan 8.310 nan 0.000 0.536 3208 F N 0.337 120.270 119.950 -0.028 0.000 2.683 3208 F HA 0.372 4.900 4.527 0.002 0.000 0.306 3208 F C 1.540 177.379 175.800 0.065 0.000 1.102 3208 F CA -0.164 57.842 58.000 0.010 0.000 1.244 3208 F CB 0.364 39.367 39.000 0.005 0.000 1.029 3208 F HN 0.193 nan 8.300 nan 0.000 0.545 3209 G N 0.590 109.486 108.800 0.159 0.000 2.136 3209 G HA2 -0.150 3.811 3.960 0.002 0.000 0.242 3209 G HA3 -0.150 3.811 3.960 0.002 0.000 0.242 3209 G C 0.476 175.453 174.900 0.128 0.000 0.989 3209 G CA -0.149 45.027 45.100 0.127 0.000 0.682 3209 G HN 0.740 nan 8.290 nan 0.000 0.522 3210 G N -0.618 108.268 108.800 0.144 0.000 2.417 3210 G HA2 0.527 4.488 3.960 0.002 0.000 0.334 3210 G HA3 0.527 4.488 3.960 0.002 0.000 0.334 3210 G C -0.407 174.539 174.900 0.076 0.000 1.150 3210 G CA -0.243 44.928 45.100 0.119 0.000 0.923 3210 G HN 0.524 nan 8.290 nan 0.000 0.485 3211 N N 1.890 120.623 118.700 0.055 0.000 2.462 3211 N HA 0.290 5.031 4.740 0.002 0.000 0.242 3211 N C -0.987 174.539 175.510 0.026 0.000 1.010 3211 N CA -2.426 50.637 53.050 0.022 0.000 0.939 3211 N CB 1.956 40.439 38.487 -0.007 0.000 1.127 3211 N HN 0.109 nan 8.380 nan 0.000 0.509 3212 P HA -0.058 nan 4.420 nan 0.000 0.219 3212 P C 1.023 178.367 177.300 0.073 0.000 1.146 3212 P CA 0.891 64.028 63.100 0.061 0.000 0.808 3212 P CB 0.069 31.790 31.700 0.035 0.000 0.779 3213 G N -0.830 107.944 108.800 -0.043 0.000 2.776 3213 G HA2 -0.055 3.906 3.960 0.002 0.000 0.209 3213 G HA3 -0.055 3.906 3.960 0.002 0.000 0.209 3213 G C 0.566 175.097 174.900 -0.615 0.000 1.145 3213 G CA 0.207 45.171 45.100 -0.226 0.000 0.791 3213 G HN 0.379 nan 8.290 nan 0.000 0.530 3214 S N -0.268 115.271 115.700 -0.268 0.000 2.356 3214 S HA 0.473 4.944 4.470 0.002 0.000 0.171 3214 S C -0.967 173.686 174.600 0.089 0.000 1.399 3214 S CA -0.457 57.630 58.200 -0.189 0.000 1.225 3214 S CB 0.583 63.697 63.200 -0.142 0.000 1.271 3214 S HN -0.046 nan 8.310 nan 0.000 0.427 3215 V N 3.333 123.458 119.914 0.351 0.000 2.459 3215 V HA 0.600 4.721 4.120 0.002 0.000 0.295 3215 V C 0.129 176.373 176.094 0.251 0.000 1.029 3215 V CA -0.419 62.041 62.300 0.265 0.000 0.874 3215 V CB 2.061 34.041 31.823 0.261 0.000 0.985 3215 V HN 0.671 nan 8.190 nan 0.000 0.438 3216 T N 6.168 120.824 114.554 0.170 0.000 2.792 3216 T HA 0.614 4.965 4.350 0.002 0.000 0.280 3216 T C -0.246 174.565 174.700 0.184 0.000 0.990 3216 T CA -0.188 61.999 62.100 0.145 0.000 0.960 3216 T CB 0.917 69.807 68.868 0.036 0.000 0.939 3216 T HN 0.615 nan 8.240 nan 0.000 0.439 3217 I N 1.586 122.250 120.570 0.157 0.000 2.437 3217 I HA 0.897 5.068 4.170 0.002 0.000 0.298 3217 I C -1.018 175.283 176.117 0.307 0.000 0.984 3217 I CA -1.029 60.364 61.300 0.156 0.000 1.214 3217 I CB 1.146 39.029 38.000 -0.195 0.000 1.365 3217 I HN 0.511 nan 8.210 nan 0.000 0.469 3218 F N 2.838 122.799 119.950 0.018 0.000 2.650 3218 F HA 0.958 5.486 4.527 0.001 0.000 0.310 3218 F C -0.579 175.139 175.800 -0.138 0.000 1.112 3218 F CA -1.397 56.636 58.000 0.055 0.000 0.986 3218 F CB 1.094 40.244 39.000 0.250 0.000 1.285 3218 F HN 0.824 nan 8.300 nan 0.000 0.440 3219 G N 1.202 109.794 108.800 -0.348 0.000 2.684 3219 G HA2 0.534 4.495 3.960 0.002 0.000 0.290 3219 G HA3 0.534 4.495 3.960 0.002 0.000 0.290 3219 G C -2.395 172.218 174.900 -0.478 0.000 1.425 3219 G CA -0.786 43.738 45.100 -0.959 0.000 0.822 3219 G HN 0.837 nan 8.290 nan 0.000 0.482 3220 E N 0.197 120.099 120.200 -0.496 0.000 2.212 3220 E HA 0.609 4.960 4.350 0.002 0.000 0.268 3220 E C 0.676 177.284 176.600 0.013 0.000 0.902 3220 E CA 0.202 56.562 56.400 -0.066 0.000 0.779 3220 E CB 2.067 31.841 29.700 0.124 0.000 1.172 3220 E HN 0.710 nan 8.360 nan 0.000 0.409 3221 S N 2.777 118.550 115.700 0.121 0.000 4.139 3221 S HA -0.394 4.077 4.470 0.002 0.000 0.603 3221 S C 1.449 176.156 174.600 0.179 0.000 1.897 3221 S CA 2.182 60.561 58.200 0.299 0.000 4.241 3221 S CB -1.621 61.845 63.200 0.443 0.000 0.221 3221 S HN 0.926 nan 8.310 nan 0.000 0.488 3222 A N 1.007 123.923 122.820 0.160 0.000 2.019 3222 A HA 0.229 4.550 4.320 0.002 0.000 0.219 3222 A C 2.373 179.931 177.584 -0.043 0.000 1.164 3222 A CA 2.192 54.265 52.037 0.061 0.000 0.644 3222 A CB -1.363 17.693 19.000 0.093 0.000 0.805 3222 A HN 1.502 nan 8.150 nan 0.000 0.449 3223 G N -0.766 107.977 108.800 -0.095 0.000 2.448 3223 G HA2 0.130 4.091 3.960 0.002 0.000 0.218 3223 G HA3 0.130 4.091 3.960 0.002 0.000 0.218 3223 G C 1.381 176.130 174.900 -0.252 0.000 1.135 3223 G CA 1.116 46.039 45.100 -0.295 0.000 0.784 3223 G HN 0.623 nan 8.290 nan 0.000 0.543 3224 G N 0.365 109.091 108.800 -0.123 0.000 2.395 3224 G HA2 -0.119 3.842 3.960 0.002 0.000 0.214 3224 G HA3 -0.119 3.842 3.960 0.002 0.000 0.214 3224 G C 1.508 176.387 174.900 -0.036 0.000 1.177 3224 G CA 0.963 46.033 45.100 -0.049 0.000 0.794 3224 G HN 0.413 nan 8.290 nan 0.000 0.532 3225 E N 0.911 121.096 120.200 -0.025 0.000 2.204 3225 E HA -0.104 4.247 4.350 0.002 0.000 0.195 3225 E C 2.452 178.989 176.600 -0.104 0.000 0.990 3225 E CA 1.138 57.508 56.400 -0.050 0.000 0.821 3225 E CB -0.143 29.527 29.700 -0.050 0.000 0.750 3225 E HN 0.340 nan 8.360 nan 0.000 0.477 3226 S N 0.017 115.643 115.700 -0.123 0.000 2.368 3226 S HA -0.108 4.363 4.470 0.002 0.000 0.224 3226 S C 2.103 176.567 174.600 -0.227 0.000 1.029 3226 S CA 1.042 59.141 58.200 -0.168 0.000 0.988 3226 S CB -0.168 62.916 63.200 -0.193 0.000 0.838 3226 S HN 0.142 nan 8.310 nan 0.000 0.462 3227 V N 1.323 121.109 119.914 -0.213 0.000 2.287 3227 V HA -0.182 3.939 4.120 0.002 0.000 0.248 3227 V C 2.569 178.524 176.094 -0.233 0.000 1.053 3227 V CA 2.019 64.166 62.300 -0.254 0.000 1.027 3227 V CB -0.843 30.890 31.823 -0.150 0.000 0.646 3227 V HN 0.518 nan 8.190 nan 0.000 0.447 3228 S N -0.718 114.923 115.700 -0.100 0.000 2.383 3228 S HA -0.171 4.300 4.470 0.002 0.000 0.229 3228 S C 1.920 176.445 174.600 -0.125 0.000 1.030 3228 S CA 1.778 59.955 58.200 -0.038 0.000 1.002 3228 S CB -0.162 63.058 63.200 0.034 0.000 0.829 3228 S HN 0.353 nan 8.310 nan 0.000 0.467 3229 V N 1.795 121.596 119.914 -0.190 0.000 2.379 3229 V HA -0.078 4.043 4.120 0.002 0.000 0.245 3229 V C 2.267 178.244 176.094 -0.194 0.000 1.044 3229 V CA 1.568 63.724 62.300 -0.240 0.000 1.036 3229 V CB -0.585 30.977 31.823 -0.434 0.000 0.664 3229 V HN 0.466 nan 8.190 nan 0.000 0.453 3230 L N -0.475 120.622 121.223 -0.211 0.000 2.131 3230 L HA -0.125 4.216 4.340 0.002 0.000 0.210 3230 L C 2.418 179.327 176.870 0.064 0.000 1.092 3230 L CA 0.892 55.661 54.840 -0.118 0.000 0.759 3230 L CB -0.662 41.227 42.059 -0.283 0.000 0.903 3230 L HN 0.190 nan 8.230 nan 0.000 0.435 3231 V N 0.188 120.078 119.914 -0.040 0.000 2.594 3231 V HA -0.228 3.893 4.120 0.002 0.000 0.253 3231 V C 2.025 178.259 176.094 0.233 0.000 1.069 3231 V CA 1.442 63.813 62.300 0.119 0.000 1.082 3231 V CB -0.240 31.416 31.823 -0.278 0.000 0.680 3231 V HN 0.405 nan 8.190 nan 0.000 0.469 3232 L N -1.126 120.121 121.223 0.041 0.000 2.640 3232 L HA 0.219 4.560 4.340 0.002 0.000 0.230 3232 L C 1.080 177.835 176.870 -0.192 0.000 1.123 3232 L CA 0.134 54.889 54.840 -0.143 0.000 0.900 3232 L CB 0.225 42.184 42.059 -0.166 0.000 1.146 3232 L HN 0.169 nan 8.230 nan 0.000 0.484 3233 S N 0.255 115.963 115.700 0.013 0.000 2.499 3233 S HA 0.296 4.767 4.470 0.002 0.000 0.279 3233 S C -1.674 173.033 174.600 0.178 0.000 1.219 3233 S CA -1.336 56.881 58.200 0.030 0.000 1.062 3233 S CB 1.282 64.491 63.200 0.013 0.000 0.978 3233 S HN -0.108 nan 8.310 nan 0.000 0.489 3234 P HA 0.037 nan 4.420 nan 0.000 0.223 3234 P C 1.034 178.419 177.300 0.140 0.000 1.151 3234 P CA 0.696 63.925 63.100 0.215 0.000 0.787 3234 P CB 0.139 31.915 31.700 0.127 0.000 0.788 3235 L N -1.337 119.948 121.223 0.102 0.000 2.179 3235 L HA -0.005 4.336 4.340 0.002 0.000 0.208 3235 L C 2.305 179.233 176.870 0.098 0.000 1.096 3235 L CA 1.124 56.014 54.840 0.084 0.000 0.779 3235 L CB -0.866 41.235 42.059 0.069 0.000 0.922 3235 L HN -0.051 nan 8.230 nan 0.000 0.443 3236 A N -0.280 122.622 122.820 0.137 0.000 2.067 3236 A HA -0.117 4.204 4.320 0.002 0.000 0.217 3236 A C 1.282 178.933 177.584 0.111 0.000 1.156 3236 A CA 0.162 52.320 52.037 0.201 0.000 0.683 3236 A CB -0.259 18.941 19.000 0.334 0.000 0.808 3236 A HN 0.226 nan 8.150 nan 0.000 0.455 3237 K N 0.745 121.166 120.400 0.035 0.000 2.543 3237 K HA -0.129 4.192 4.320 0.002 0.000 0.279 3237 K C -0.291 176.214 176.600 -0.159 0.000 1.001 3237 K CA 0.849 57.058 56.287 -0.131 0.000 1.088 3237 K CB -0.030 32.449 32.500 -0.034 0.000 0.863 3237 K HN 0.435 nan 8.250 nan 0.000 0.488 3238 N N 2.012 120.528 118.700 -0.307 0.000 2.925 3238 N HA -0.202 4.539 4.740 0.002 0.000 0.244 3238 N C 0.113 175.483 175.510 -0.232 0.000 1.000 3238 N CA 1.152 54.060 53.050 -0.237 0.000 0.895 3238 N CB -1.132 37.304 38.487 -0.085 0.000 1.119 3238 N HN 0.601 nan 8.380 nan 0.000 0.569 3239 L N -0.994 120.078 121.223 -0.251 0.000 2.638 3239 L HA 0.298 4.639 4.340 0.002 0.000 0.232 3239 L C 0.120 177.005 176.870 0.024 0.000 1.099 3239 L CA 0.143 54.965 54.840 -0.029 0.000 0.883 3239 L CB 0.124 42.262 42.059 0.132 0.000 1.136 3239 L HN 0.168 nan 8.230 nan 0.000 0.492 3240 F N -4.279 115.464 119.950 -0.345 0.000 2.668 3240 F HA 0.438 4.965 4.527 0.001 0.000 0.309 3240 F C 0.031 175.454 175.800 -0.629 0.000 1.117 3240 F CA -1.052 56.738 58.000 -0.350 0.000 0.951 3240 F CB 0.799 39.713 39.000 -0.144 0.000 1.323 3240 F HN -0.089 nan 8.300 nan 0.000 0.451 3241 H N -0.577 118.500 119.070 0.012 0.000 3.058 3241 H HA 0.499 5.056 4.556 0.002 0.000 0.266 3241 H C -0.662 174.644 175.328 -0.037 0.000 1.135 3241 H CA -0.427 55.555 56.048 -0.110 0.000 1.174 3241 H CB 0.572 30.275 29.762 -0.098 0.000 1.581 3241 H HN 0.426 nan 8.280 nan 0.000 0.553 3242 R N 0.502 121.119 120.500 0.195 0.000 2.566 3242 R HA 0.765 5.106 4.340 0.002 0.000 0.271 3242 R C -1.457 175.008 176.300 0.274 0.000 1.071 3242 R CA -0.830 55.348 56.100 0.130 0.000 0.915 3242 R CB 2.346 32.565 30.300 -0.136 0.000 1.228 3242 R HN 0.113 nan 8.270 nan 0.000 0.449 3243 A N 3.326 126.346 122.820 0.332 0.000 2.386 3243 A HA 0.835 5.156 4.320 0.002 0.000 0.311 3243 A C -0.787 177.020 177.584 0.372 0.000 1.068 3243 A CA -0.751 51.416 52.037 0.217 0.000 0.743 3243 A CB 1.175 20.096 19.000 -0.131 0.000 1.258 3243 A HN 0.662 nan 8.150 nan 0.000 0.429 3244 I N 1.430 122.147 120.570 0.245 0.000 2.500 3244 I HA 0.257 4.428 4.170 0.002 0.000 0.286 3244 I C -0.367 175.861 176.117 0.186 0.000 1.063 3244 I CA -0.161 61.210 61.300 0.118 0.000 1.062 3244 I CB 2.334 40.331 38.000 -0.005 0.000 1.223 3244 I HN 0.486 nan 8.210 nan 0.000 0.435 3245 S N 5.127 120.899 115.700 0.120 0.000 2.448 3245 S HA 0.327 4.798 4.470 0.002 0.000 0.320 3245 S C -0.371 174.265 174.600 0.059 0.000 1.071 3245 S CA -0.588 57.663 58.200 0.084 0.000 1.113 3245 S CB 0.756 63.992 63.200 0.060 0.000 0.972 3245 S HN 0.473 nan 8.310 nan 0.000 0.465 3246 E N 1.963 122.247 120.200 0.139 0.000 2.014 3246 E HA 0.306 4.657 4.350 0.002 0.000 0.275 3246 E C -0.404 176.256 176.600 0.099 0.000 0.997 3246 E CA -0.413 56.103 56.400 0.194 0.000 0.804 3246 E CB 0.717 30.615 29.700 0.330 0.000 1.090 3246 E HN 0.623 nan 8.360 nan 0.000 0.401 3247 S N 2.141 117.877 115.700 0.061 0.000 3.667 3247 S HA -0.116 4.355 4.470 0.002 0.000 0.405 3247 S C -0.011 174.787 174.600 0.330 0.000 0.913 3247 S CA 0.511 58.766 58.200 0.093 0.000 1.288 3247 S CB -1.058 62.104 63.200 -0.064 0.000 0.905 3247 S HN 0.957 nan 8.310 nan 0.000 0.550 3248 G N -0.835 108.147 108.800 0.303 0.000 2.088 3248 G HA2 0.486 4.447 3.960 0.002 0.000 0.222 3248 G HA3 0.486 4.447 3.960 0.002 0.000 0.222 3248 G C -0.810 174.144 174.900 0.090 0.000 1.690 3248 G CA 0.098 45.356 45.100 0.264 0.000 0.923 3248 G HN 1.534 nan 8.290 nan 0.000 0.730 3249 V N -0.506 119.425 119.914 0.028 0.000 3.156 3249 V HA 0.945 5.066 4.120 0.002 0.000 0.310 3249 V C 1.428 177.492 176.094 -0.050 0.000 1.234 3249 V CA 0.019 62.316 62.300 -0.006 0.000 1.065 3249 V CB 1.096 32.909 31.823 -0.017 0.000 1.088 3249 V HN 2.139 nan 8.190 nan 0.000 0.451 3250 A N -0.513 122.277 122.820 -0.050 0.000 2.125 3250 A HA 0.120 4.441 4.320 0.002 0.000 0.219 3250 A C 1.646 179.169 177.584 -0.102 0.000 1.156 3250 A CA 1.665 53.651 52.037 -0.084 0.000 0.671 3250 A CB -0.752 18.202 19.000 -0.077 0.000 0.794 3250 A HN 0.818 nan 8.150 nan 0.000 0.459 3251 L N -0.139 121.025 121.223 -0.097 0.000 2.591 3251 L HA 0.033 4.374 4.340 0.002 0.000 0.228 3251 L C 0.245 177.010 176.870 -0.174 0.000 1.133 3251 L CA 0.068 54.834 54.840 -0.122 0.000 0.880 3251 L CB -0.128 41.873 42.059 -0.095 0.000 1.033 3251 L HN 0.115 nan 8.230 nan 0.000 0.450 3252 T N -0.167 114.274 114.554 -0.189 0.000 3.455 3252 T HA 0.036 4.387 4.350 0.002 0.000 0.286 3252 T C 1.477 176.029 174.700 -0.248 0.000 1.157 3252 T CA -0.015 61.921 62.100 -0.274 0.000 1.090 3252 T CB 0.569 69.261 68.868 -0.294 0.000 1.112 3252 T HN 0.164 nan 8.240 nan 0.000 0.779 3253 S N 1.974 117.521 115.700 -0.255 0.000 2.409 3253 S HA -0.171 4.300 4.470 0.002 0.000 0.237 3253 S C 2.321 176.792 174.600 -0.216 0.000 1.060 3253 S CA 1.134 59.192 58.200 -0.236 0.000 1.052 3253 S CB -0.390 62.644 63.200 -0.277 0.000 0.871 3253 S HN 0.605 nan 8.310 nan 0.000 0.465 3254 V N 1.573 121.347 119.914 -0.232 0.000 2.453 3254 V HA -0.146 3.975 4.120 0.002 0.000 0.252 3254 V C 1.574 177.576 176.094 -0.154 0.000 1.068 3254 V CA 1.705 63.894 62.300 -0.186 0.000 1.070 3254 V CB -0.374 31.340 31.823 -0.183 0.000 0.664 3254 V HN 0.531 nan 8.190 nan 0.000 0.461 3255 L N -0.663 120.462 121.223 -0.163 0.000 2.592 3255 L HA 0.200 4.541 4.340 0.002 0.000 0.227 3255 L C 0.216 176.994 176.870 -0.153 0.000 1.127 3255 L CA -0.073 54.672 54.840 -0.159 0.000 0.884 3255 L CB 0.341 42.313 42.059 -0.146 0.000 1.065 3255 L HN 0.096 nan 8.230 nan 0.000 0.457 3256 V N 0.773 120.602 119.914 -0.142 0.000 2.448 3256 V HA 0.327 4.447 4.120 0.002 0.000 0.295 3256 V C -0.092 175.935 176.094 -0.112 0.000 1.025 3256 V CA -0.903 61.323 62.300 -0.122 0.000 0.859 3256 V CB 1.970 33.718 31.823 -0.125 0.000 0.988 3256 V HN 0.010 nan 8.190 nan 0.000 0.431 3257 K N 4.323 124.668 120.400 -0.092 0.000 2.201 3257 K HA 0.600 4.921 4.320 0.002 0.000 0.278 3257 K C -0.588 175.966 176.600 -0.076 0.000 1.027 3257 K CA -0.428 55.812 56.287 -0.079 0.000 0.909 3257 K CB 1.869 34.330 32.500 -0.065 0.000 1.062 3257 K HN 0.589 nan 8.250 nan 0.000 0.465 3258 K N 0.308 120.665 120.400 -0.072 0.000 2.385 3258 K HA 0.656 4.977 4.320 0.002 0.000 0.248 3258 K C 0.020 176.589 176.600 -0.052 0.000 0.955 3258 K CA -0.653 55.593 56.287 -0.068 0.000 0.816 3258 K CB 2.018 34.471 32.500 -0.078 0.000 1.250 3258 K HN 0.767 nan 8.250 nan 0.000 0.434 3259 G N 1.463 110.234 108.800 -0.048 0.000 2.587 3259 G HA2 -0.221 3.740 3.960 0.002 0.000 0.212 3259 G HA3 -0.221 3.740 3.960 0.002 0.000 0.212 3259 G C -1.377 173.500 174.900 -0.038 0.000 1.327 3259 G CA -0.557 44.521 45.100 -0.037 0.000 0.898 3259 G HN 0.659 nan 8.290 nan 0.000 0.551 3260 D N 0.330 120.712 120.400 -0.030 0.000 2.325 3260 D HA 0.422 5.063 4.640 0.002 0.000 0.251 3260 D C 1.779 178.056 176.300 -0.037 0.000 1.196 3260 D CA 0.540 54.520 54.000 -0.033 0.000 0.866 3260 D CB 1.266 42.052 40.800 -0.023 0.000 1.101 3260 D HN 1.162 nan 8.370 nan 0.000 0.476 3261 V N 2.057 121.939 119.914 -0.054 0.000 3.406 3261 V HA 0.045 4.166 4.120 0.002 0.000 0.263 3261 V C 2.105 178.157 176.094 -0.069 0.000 1.172 3261 V CA 0.397 62.658 62.300 -0.065 0.000 1.140 3261 V CB -0.464 31.301 31.823 -0.096 0.000 0.784 3261 V HN 0.298 nan 8.190 nan 0.000 0.467 3262 K N 1.967 122.333 120.400 -0.058 0.000 2.089 3262 K HA -0.108 4.213 4.320 0.002 0.000 0.210 3262 K C -0.168 176.419 176.600 -0.022 0.000 1.048 3262 K CA 2.387 58.647 56.287 -0.046 0.000 0.926 3262 K CB -1.619 30.866 32.500 -0.026 0.000 0.714 3262 K HN 0.457 nan 8.250 nan 0.000 0.448 3263 P HA -0.159 nan 4.420 nan 0.000 0.215 3263 P C 1.396 178.708 177.300 0.020 0.000 1.157 3263 P CA 1.017 64.120 63.100 0.005 0.000 0.868 3263 P CB 0.013 31.715 31.700 0.003 0.000 0.788 3264 L N -1.006 120.228 121.223 0.018 0.000 2.042 3264 L HA -0.214 4.127 4.340 0.002 0.000 0.210 3264 L C 2.199 179.121 176.870 0.087 0.000 1.076 3264 L CA 1.811 56.683 54.840 0.053 0.000 0.749 3264 L CB -0.844 41.243 42.059 0.048 0.000 0.893 3264 L HN -0.044 nan 8.230 nan 0.000 0.432 3265 A N -0.157 122.684 122.820 0.034 0.000 1.865 3265 A HA -0.268 4.053 4.320 0.002 0.000 0.217 3265 A C 2.004 179.696 177.584 0.181 0.000 1.191 3265 A CA 1.916 54.017 52.037 0.106 0.000 0.623 3265 A CB -0.590 18.334 19.000 -0.127 0.000 0.826 3265 A HN 0.556 nan 8.150 nan 0.000 0.444 3266 E N -0.865 119.388 120.200 0.087 0.000 2.110 3266 E HA -0.256 4.095 4.350 0.002 0.000 0.193 3266 E C 2.245 178.882 176.600 0.061 0.000 0.988 3266 E CA 1.271 57.713 56.400 0.069 0.000 0.804 3266 E CB -0.167 29.556 29.700 0.037 0.000 0.745 3266 E HN 0.804 nan 8.360 nan 0.000 0.458 3267 Q N 0.664 120.501 119.800 0.062 0.000 2.119 3267 Q HA -0.156 4.185 4.340 0.002 0.000 0.201 3267 Q C 2.155 178.188 176.000 0.054 0.000 0.972 3267 Q CA 1.023 56.854 55.803 0.046 0.000 0.847 3267 Q CB 0.065 28.828 28.738 0.043 0.000 0.903 3267 Q HN 0.312 nan 8.270 nan 0.000 0.433 3268 I N 0.413 121.045 120.570 0.104 0.000 2.202 3268 I HA -0.229 3.942 4.170 0.002 0.000 0.242 3268 I C 2.458 178.588 176.117 0.023 0.000 1.091 3268 I CA 0.857 62.215 61.300 0.096 0.000 1.368 3268 I CB -0.467 37.651 38.000 0.197 0.000 1.058 3268 I HN 0.239 nan 8.210 nan 0.000 0.410 3269 A N 1.281 124.125 122.820 0.039 0.000 1.908 3269 A HA -0.204 4.117 4.320 0.002 0.000 0.218 3269 A C 2.297 179.871 177.584 -0.016 0.000 1.181 3269 A CA 1.672 53.701 52.037 -0.014 0.000 0.627 3269 A CB -0.871 18.145 19.000 0.026 0.000 0.818 3269 A HN 0.386 nan 8.150 nan 0.000 0.445 3270 I N -0.571 120.001 120.570 0.003 0.000 2.179 3270 I HA -0.216 3.955 4.170 0.002 0.000 0.242 3270 I C 2.514 178.622 176.117 -0.014 0.000 1.088 3270 I CA 1.769 63.066 61.300 -0.005 0.000 1.357 3270 I CB -0.733 37.267 38.000 0.001 0.000 1.051 3270 I HN 0.248 nan 8.210 nan 0.000 0.409 3271 T N 0.769 115.314 114.554 -0.015 0.000 2.849 3271 T HA -0.136 4.215 4.350 0.002 0.000 0.270 3271 T C 1.750 176.432 174.700 -0.030 0.000 1.066 3271 T CA 1.383 63.468 62.100 -0.025 0.000 1.130 3271 T CB -0.237 68.613 68.868 -0.030 0.000 0.864 3271 T HN 0.488 nan 8.240 nan 0.000 0.481 3272 A N 0.316 123.113 122.820 -0.039 0.000 2.251 3272 A HA 0.533 4.854 4.320 0.002 0.000 0.209 3272 A C 1.748 179.307 177.584 -0.042 0.000 1.187 3272 A CA 0.615 52.622 52.037 -0.050 0.000 0.823 3272 A CB -0.555 18.394 19.000 -0.085 0.000 0.846 3272 A HN 0.737 nan 8.150 nan 0.000 0.486 3273 G N -1.558 107.223 108.800 -0.032 0.000 2.204 3273 G HA2 -0.214 3.747 3.960 0.002 0.000 0.244 3273 G HA3 -0.214 3.747 3.960 0.002 0.000 0.244 3273 G C -0.023 174.862 174.900 -0.026 0.000 1.062 3273 G CA 0.032 45.117 45.100 -0.025 0.000 0.798 3273 G HN 0.589 nan 8.290 nan 0.000 0.496 3274 c N -0.209 118.374 118.600 -0.028 0.000 2.454 3274 c HA 0.719 5.290 4.570 0.002 0.000 0.336 3274 c C 0.941 175.025 174.090 -0.010 0.000 1.189 3274 c CA -0.928 55.386 56.329 -0.025 0.000 1.877 3274 c CB 1.492 43.976 42.510 -0.044 0.000 2.348 3274 c HN 0.603 nan 8.230 nan 0.000 0.508 3275 K N 0.612 121.011 120.400 -0.002 0.000 2.120 3275 K HA 0.381 4.702 4.320 0.002 0.000 0.245 3275 K C 0.681 177.286 176.600 0.009 0.000 1.024 3275 K CA 0.205 56.494 56.287 0.004 0.000 0.906 3275 K CB 0.403 32.907 32.500 0.006 0.000 1.051 3275 K HN 0.836 nan 8.250 nan 0.000 0.491 3276 T N -2.821 111.740 114.554 0.011 0.000 3.487 3276 T HA 0.107 4.458 4.350 0.002 0.000 0.287 3276 T C 0.609 175.316 174.700 0.011 0.000 1.004 3276 T CA -0.598 61.513 62.100 0.017 0.000 0.977 3276 T CB 0.059 68.939 68.868 0.021 0.000 1.180 3276 T HN 0.410 nan 8.240 nan 0.000 0.490 3277 T N 2.389 116.946 114.554 0.006 0.000 2.788 3277 T HA 0.042 4.393 4.350 0.002 0.000 0.268 3277 T C 1.192 175.891 174.700 -0.002 0.000 1.044 3277 T CA 1.694 63.794 62.100 0.001 0.000 1.139 3277 T CB -0.219 68.647 68.868 -0.003 0.000 0.867 3277 T HN 0.871 nan 8.240 nan 0.000 0.454 3278 T N -2.611 111.938 114.554 -0.008 0.000 2.762 3278 T HA 0.461 4.812 4.350 0.002 0.000 0.301 3278 T C 0.890 175.578 174.700 -0.020 0.000 1.299 3278 T CA -0.421 61.669 62.100 -0.016 0.000 1.005 3278 T CB 1.478 70.319 68.868 -0.046 0.000 1.377 3278 T HN -0.215 nan 8.240 nan 0.000 0.504 3279 S N 0.322 116.013 115.700 -0.015 0.000 2.348 3279 S HA -0.007 4.463 4.470 0.002 0.000 0.221 3279 S C 2.528 177.079 174.600 -0.082 0.000 1.033 3279 S CA 1.497 59.704 58.200 0.012 0.000 1.010 3279 S CB -1.072 62.220 63.200 0.154 0.000 0.891 3279 S HN 0.973 nan 8.310 nan 0.000 0.442 3280 A N 1.165 123.759 122.820 -0.376 0.000 1.948 3280 A HA -0.107 4.214 4.320 0.002 0.000 0.220 3280 A C 2.331 179.853 177.584 -0.103 0.000 1.177 3280 A CA 1.757 53.569 52.037 -0.375 0.000 0.636 3280 A CB -1.033 17.616 19.000 -0.586 0.000 0.815 3280 A HN 0.349 nan 8.150 nan 0.000 0.449 3281 V N -0.029 119.839 119.914 -0.077 0.000 2.287 3281 V HA -0.354 3.767 4.120 0.002 0.000 0.248 3281 V C 2.660 178.781 176.094 0.044 0.000 1.053 3281 V CA 2.313 64.614 62.300 0.002 0.000 1.027 3281 V CB -0.746 31.073 31.823 -0.007 0.000 0.646 3281 V HN 0.588 nan 8.190 nan 0.000 0.447 3282 M N -0.556 119.063 119.600 0.032 0.000 2.065 3282 M HA -0.175 4.306 4.480 0.002 0.000 0.259 3282 M C 2.276 178.584 176.300 0.014 0.000 1.071 3282 M CA 1.852 57.176 55.300 0.041 0.000 1.109 3282 M CB -0.696 31.968 32.600 0.106 0.000 1.313 3282 M HN 0.251 nan 8.290 nan 0.000 0.408 3283 V N -0.297 119.656 119.914 0.064 0.000 2.332 3283 V HA -0.312 3.809 4.120 0.002 0.000 0.248 3283 V C 2.307 178.444 176.094 0.071 0.000 1.055 3283 V CA 2.474 64.800 62.300 0.044 0.000 1.038 3283 V CB -1.168 30.737 31.823 0.136 0.000 0.651 3283 V HN 0.494 nan 8.190 nan 0.000 0.450 3284 H N -0.647 118.424 119.070 0.001 0.000 2.293 3284 H HA -0.214 4.343 4.556 0.002 0.000 0.300 3284 H C 2.398 177.725 175.328 -0.002 0.000 1.082 3284 H CA 2.327 58.378 56.048 0.005 0.000 1.308 3284 H CB -0.735 29.019 29.762 -0.013 0.000 1.375 3284 H HN 0.451 nan 8.280 nan 0.000 0.495 3285 c N 0.086 118.651 118.600 -0.059 0.000 2.413 3285 c HA -0.140 4.431 4.570 0.002 0.000 0.277 3285 c C 2.868 176.875 174.090 -0.138 0.000 1.228 3285 c CA 1.317 57.573 56.329 -0.122 0.000 1.731 3285 c CB -1.464 41.020 42.510 -0.044 0.000 2.042 3285 c HN 0.673 nan 8.230 nan 0.000 0.468 3286 L N 0.293 121.442 121.223 -0.122 0.000 2.127 3286 L HA -0.143 4.198 4.340 0.002 0.000 0.211 3286 L C 2.929 179.803 176.870 0.006 0.000 1.089 3286 L CA 1.544 56.317 54.840 -0.112 0.000 0.757 3286 L CB -0.667 41.211 42.059 -0.302 0.000 0.899 3286 L HN 0.374 nan 8.230 nan 0.000 0.434 3287 R N -0.451 120.062 120.500 0.023 0.000 2.280 3287 R HA -0.087 4.254 4.340 0.002 0.000 0.207 3287 R C 1.794 178.028 176.300 -0.109 0.000 1.043 3287 R CA 0.553 56.647 56.100 -0.011 0.000 1.006 3287 R CB 0.034 30.338 30.300 0.006 0.000 0.885 3287 R HN 0.455 nan 8.270 nan 0.000 0.467 3288 Q N 0.229 119.932 119.800 -0.162 0.000 2.408 3288 Q HA 0.085 4.426 4.340 0.002 0.000 0.205 3288 Q C 0.119 176.064 176.000 -0.093 0.000 0.919 3288 Q CA 0.489 56.199 55.803 -0.155 0.000 0.932 3288 Q CB 0.467 29.076 28.738 -0.214 0.000 1.058 3288 Q HN 0.056 nan 8.270 nan 0.000 0.517 3289 K N 2.075 122.427 120.400 -0.080 0.000 2.202 3289 K HA 0.158 4.479 4.320 0.002 0.000 0.264 3289 K C 0.646 177.232 176.600 -0.024 0.000 1.010 3289 K CA 0.016 56.271 56.287 -0.053 0.000 0.940 3289 K CB 0.589 33.051 32.500 -0.063 0.000 0.983 3289 K HN 0.125 nan 8.250 nan 0.000 0.475 3290 T N -2.476 112.078 114.554 -0.000 0.000 2.828 3290 T HA 0.043 4.394 4.350 0.002 0.000 0.290 3290 T C 1.337 176.092 174.700 0.092 0.000 1.019 3290 T CA -0.524 61.594 62.100 0.029 0.000 1.031 3290 T CB 1.061 69.943 68.868 0.024 0.000 1.001 3290 T HN 0.636 nan 8.240 nan 0.000 0.531 3291 E N 0.157 120.434 120.200 0.129 0.000 2.058 3291 E HA -0.262 4.088 4.350 0.002 0.000 0.194 3291 E C 1.918 178.680 176.600 0.270 0.000 0.997 3291 E CA 1.609 58.163 56.400 0.257 0.000 0.801 3291 E CB -0.136 29.628 29.700 0.107 0.000 0.746 3291 E HN 0.810 nan 8.360 nan 0.000 0.450 3292 E N 0.673 120.954 120.200 0.136 0.000 2.153 3292 E HA -0.185 4.166 4.350 0.002 0.000 0.194 3292 E C 1.742 178.408 176.600 0.109 0.000 0.988 3292 E CA 1.443 57.911 56.400 0.113 0.000 0.811 3292 E CB 0.019 29.753 29.700 0.058 0.000 0.746 3292 E HN 0.353 nan 8.360 nan 0.000 0.466 3293 E N -0.331 119.916 120.200 0.080 0.000 2.110 3293 E HA -0.135 4.216 4.350 0.002 0.000 0.193 3293 E C 2.008 178.631 176.600 0.038 0.000 0.988 3293 E CA 1.005 57.430 56.400 0.042 0.000 0.804 3293 E CB -0.073 29.633 29.700 0.010 0.000 0.745 3293 E HN 0.319 nan 8.360 nan 0.000 0.458 3294 L N 0.459 121.714 121.223 0.054 0.000 2.217 3294 L HA -0.108 4.233 4.340 0.002 0.000 0.211 3294 L C 2.365 179.289 176.870 0.091 0.000 1.107 3294 L CA 0.191 54.986 54.840 -0.075 0.000 0.783 3294 L CB -0.164 41.653 42.059 -0.403 0.000 0.919 3294 L HN 0.205 nan 8.230 nan 0.000 0.442 3295 L N -0.332 121.090 121.223 0.331 0.000 2.240 3295 L HA -0.086 4.255 4.340 0.002 0.000 0.211 3295 L C 2.243 179.227 176.870 0.190 0.000 1.106 3295 L CA 1.594 56.661 54.840 0.378 0.000 0.793 3295 L CB -0.392 41.852 42.059 0.308 0.000 0.927 3295 L HN 0.165 nan 8.230 nan 0.000 0.446 3296 E N -1.119 119.151 120.200 0.118 0.000 2.112 3296 E HA -0.131 4.220 4.350 0.002 0.000 0.190 3296 E C 1.838 178.465 176.600 0.045 0.000 0.979 3296 E CA 1.416 57.856 56.400 0.066 0.000 0.814 3296 E CB -0.012 29.712 29.700 0.040 0.000 0.762 3296 E HN 0.503 nan 8.360 nan 0.000 0.460 3297 T N 0.654 115.231 114.554 0.037 0.000 2.788 3297 T HA -0.124 4.227 4.350 0.002 0.000 0.268 3297 T C 1.971 176.692 174.700 0.035 0.000 1.044 3297 T CA 1.574 63.679 62.100 0.009 0.000 1.139 3297 T CB -0.330 68.526 68.868 -0.019 0.000 0.867 3297 T HN 0.158 nan 8.240 nan 0.000 0.454 3298 T N 2.604 117.232 114.554 0.122 0.000 2.708 3298 T HA 0.017 4.368 4.350 0.002 0.000 0.266 3298 T C 1.990 176.756 174.700 0.110 0.000 1.037 3298 T CA 0.951 63.200 62.100 0.248 0.000 1.146 3298 T CB -0.489 68.597 68.868 0.363 0.000 0.865 3298 T HN 0.263 nan 8.240 nan 0.000 0.435 3299 L N 0.445 121.720 121.223 0.086 0.000 2.046 3299 L HA -0.106 4.235 4.340 0.002 0.000 0.208 3299 L C 2.702 179.550 176.870 -0.038 0.000 1.077 3299 L CA 1.403 56.264 54.840 0.035 0.000 0.747 3299 L CB -0.521 41.563 42.059 0.042 0.000 0.896 3299 L HN 0.240 nan 8.230 nan 0.000 0.432 3300 K N -0.447 119.925 120.400 -0.046 0.000 2.063 3300 K HA -0.176 4.145 4.320 0.002 0.000 0.208 3300 K C 2.130 178.637 176.600 -0.156 0.000 1.048 3300 K CA 1.261 57.502 56.287 -0.078 0.000 0.928 3300 K CB -0.131 32.333 32.500 -0.059 0.000 0.713 3300 K HN 0.217 nan 8.250 nan 0.000 0.442 3301 M N 0.980 120.420 119.600 -0.265 0.000 2.213 3301 M HA -0.095 4.386 4.480 0.002 0.000 0.263 3301 M C 0.084 176.056 176.300 -0.546 0.000 1.062 3301 M CA 1.222 56.203 55.300 -0.533 0.000 1.105 3301 M CB -0.791 31.150 32.600 -1.097 0.000 1.385 3301 M HN 0.072 nan 8.290 nan 0.000 0.417 3302 K N -0.281 119.902 120.400 -0.361 0.000 3.974 3302 K HA -0.213 4.108 4.320 0.002 0.000 0.280 3302 K C 0.231 176.722 176.600 -0.181 0.000 0.949 3302 K CA -0.023 56.153 56.287 -0.185 0.000 0.817 3302 K CB -2.139 30.288 32.500 -0.122 0.000 1.535 3302 K HN 0.149 nan 8.250 nan 0.000 0.444 3303 F N 0.592 120.562 119.950 0.034 0.000 1.992 3303 F HA -0.095 4.433 4.527 0.002 0.000 0.292 3303 F C 1.808 177.626 175.800 0.030 0.000 1.192 3303 F CA 0.666 58.688 58.000 0.036 0.000 1.157 3303 F CB -0.000 39.033 39.000 0.055 0.000 0.981 3303 F HN 0.196 nan 8.300 nan 0.000 0.483 3304 L N 1.866 123.250 121.223 0.268 0.000 2.544 3304 L HA 0.114 4.455 4.340 0.002 0.000 0.240 3304 L C -0.493 176.439 176.870 0.104 0.000 1.421 3304 L CA -0.199 54.735 54.840 0.155 0.000 1.206 3304 L CB -1.505 40.628 42.059 0.123 0.000 1.463 3304 L HN 0.191 nan 8.230 nan 0.000 0.437 3305 S N 0.464 116.217 115.700 0.088 0.000 2.562 3305 S HA 0.364 4.835 4.470 0.002 0.000 0.274 3305 S C -0.893 173.724 174.600 0.028 0.000 1.160 3305 S CA -0.967 57.265 58.200 0.053 0.000 0.933 3305 S CB 1.673 64.888 63.200 0.026 0.000 1.100 3305 S HN 0.140 nan 8.310 nan 0.000 0.468 3306 L N 2.890 124.115 121.223 0.003 0.000 2.477 3306 L HA 0.384 4.725 4.340 0.002 0.000 0.272 3306 L C -0.068 176.748 176.870 -0.089 0.000 1.157 3306 L CA 0.582 55.380 54.840 -0.070 0.000 0.889 3306 L CB 0.170 42.082 42.059 -0.244 0.000 1.158 3306 L HN 0.845 nan 8.230 nan 0.000 0.473 3307 D N 4.292 124.647 120.400 -0.074 0.000 2.317 3307 D HA 0.123 4.764 4.640 0.002 0.000 0.252 3307 D C 0.616 176.864 176.300 -0.087 0.000 1.174 3307 D CA 0.121 54.078 54.000 -0.072 0.000 0.866 3307 D CB 0.803 41.565 40.800 -0.063 0.000 1.127 3307 D HN 0.562 nan 8.370 nan 0.000 0.467 3308 L N 2.800 123.979 121.223 -0.075 0.000 2.640 3308 L HA 0.133 4.474 4.340 0.002 0.000 0.230 3308 L C 0.526 177.374 176.870 -0.037 0.000 1.123 3308 L CA -0.009 54.792 54.840 -0.064 0.000 0.900 3308 L CB -0.202 41.821 42.059 -0.061 0.000 1.146 3308 L HN 0.459 nan 8.230 nan 0.000 0.484 3309 Q N -0.124 119.654 119.800 -0.037 0.000 2.292 3309 Q HA 0.677 5.018 4.340 0.002 0.000 0.270 3309 Q C -0.256 175.729 176.000 -0.026 0.000 1.024 3309 Q CA -0.262 55.528 55.803 -0.021 0.000 0.768 3309 Q CB 2.667 31.394 28.738 -0.017 0.000 1.250 3309 Q HN 0.073 nan 8.270 nan 0.000 0.447 3310 G N 2.045 110.836 108.800 -0.015 0.000 2.113 3310 G HA2 -0.090 3.871 3.960 0.002 0.000 0.082 3310 G HA3 -0.090 3.871 3.960 0.002 0.000 0.082 3310 G C -1.651 173.239 174.900 -0.016 0.000 1.155 3310 G CA -0.218 44.870 45.100 -0.019 0.000 1.241 3310 G HN 0.599 nan 8.290 nan 0.000 0.453 3311 D N 1.078 121.446 120.400 -0.052 0.000 2.575 3311 D HA 0.546 5.187 4.640 0.002 0.000 0.250 3311 D C -1.769 174.409 176.300 -0.203 0.000 1.279 3311 D CA -1.450 52.503 54.000 -0.078 0.000 0.925 3311 D CB 2.465 43.238 40.800 -0.045 0.000 1.261 3311 D HN -0.066 nan 8.370 nan 0.000 0.567 3312 P HA -0.106 nan 4.420 nan 0.000 0.217 3312 P C 0.993 178.009 177.300 -0.473 0.000 1.148 3312 P CA 1.081 63.864 63.100 -0.529 0.000 0.828 3312 P CB 0.348 31.389 31.700 -1.098 0.000 0.783 3313 R N -0.558 119.547 120.500 -0.658 0.000 2.280 3313 R HA -0.034 4.307 4.340 0.002 0.000 0.207 3313 R C 1.712 177.916 176.300 -0.160 0.000 1.043 3313 R CA 0.893 56.645 56.100 -0.580 0.000 1.006 3313 R CB -0.306 29.666 30.300 -0.546 0.000 0.885 3313 R HN 0.387 nan 8.270 nan 0.000 0.467 3314 E N -0.116 120.008 120.200 -0.127 0.000 2.447 3314 E HA 0.112 4.463 4.350 0.002 0.000 0.204 3314 E C -0.211 176.370 176.600 -0.031 0.000 0.977 3314 E CA -0.184 56.184 56.400 -0.054 0.000 0.950 3314 E CB 0.677 30.347 29.700 -0.050 0.000 0.975 3314 E HN 0.037 nan 8.360 nan 0.000 0.496 3315 S N 2.284 117.955 115.700 -0.048 0.000 2.563 3315 S HA -0.007 4.464 4.470 0.002 0.000 0.294 3315 S C 0.191 174.800 174.600 0.016 0.000 1.279 3315 S CA 0.244 58.428 58.200 -0.027 0.000 1.069 3315 S CB 0.396 63.569 63.200 -0.045 0.000 0.828 3315 S HN 0.116 nan 8.310 nan 0.000 0.497 3316 Q N 3.468 123.288 119.800 0.033 0.000 2.465 3316 Q HA 0.228 4.569 4.340 0.002 0.000 0.237 3316 Q C -1.411 174.687 176.000 0.163 0.000 1.051 3316 Q CA -2.250 53.612 55.803 0.099 0.000 0.874 3316 Q CB 1.214 30.029 28.738 0.129 0.000 1.207 3316 Q HN 0.474 nan 8.270 nan 0.000 0.508 3317 P HA -0.106 nan 4.420 nan 0.000 0.217 3317 P C 0.083 177.520 177.300 0.228 0.000 1.151 3317 P CA 0.904 64.088 63.100 0.141 0.000 0.828 3317 P CB 0.527 32.259 31.700 0.053 0.000 0.788 3318 L N -5.395 115.925 121.223 0.162 0.000 3.176 3318 L HA 0.402 4.743 4.340 0.002 0.000 0.294 3318 L C -1.492 175.304 176.870 -0.123 0.000 0.981 3318 L CA -1.139 53.666 54.840 -0.058 0.000 1.015 3318 L CB 0.148 42.126 42.059 -0.135 0.000 1.591 3318 L HN -0.348 nan 8.230 nan 0.000 0.371 3319 L N 1.114 122.169 121.223 -0.280 0.000 2.277 3319 L HA 0.820 5.161 4.340 0.002 0.000 0.284 3319 L C 0.588 177.336 176.870 -0.204 0.000 1.028 3319 L CA -0.050 54.713 54.840 -0.129 0.000 0.835 3319 L CB 0.612 42.646 42.059 -0.042 0.000 1.215 3319 L HN 0.948 nan 8.230 nan 0.000 0.425 3320 G N 1.772 110.450 108.800 -0.203 0.000 2.890 3320 G HA2 0.409 4.370 3.960 0.002 0.000 0.189 3320 G HA3 0.409 4.370 3.960 0.002 0.000 0.189 3320 G C -0.353 174.397 174.900 -0.250 0.000 1.342 3320 G CA -0.350 44.535 45.100 -0.359 0.000 1.026 3320 G HN 0.352 nan 8.290 nan 0.000 0.579 3321 T N 0.265 114.720 114.554 -0.165 0.000 2.919 3321 T HA 0.437 4.788 4.350 0.002 0.000 0.302 3321 T C 0.450 175.147 174.700 -0.005 0.000 1.031 3321 T CA 0.136 62.264 62.100 0.047 0.000 1.127 3321 T CB 1.143 70.047 68.868 0.060 0.000 0.952 3321 T HN 0.937 nan 8.240 nan 0.000 0.540 3322 V N 0.136 120.056 119.914 0.010 0.000 3.156 3322 V HA 0.656 4.777 4.120 0.002 0.000 0.311 3322 V C -0.905 175.151 176.094 -0.064 0.000 1.208 3322 V CA -1.247 61.023 62.300 -0.050 0.000 1.063 3322 V CB 1.787 33.565 31.823 -0.075 0.000 1.098 3322 V HN 0.603 nan 8.190 nan 0.000 0.452 3323 I N 3.247 123.770 120.570 -0.078 0.000 2.316 3323 I HA 0.313 4.483 4.170 0.002 0.000 0.286 3323 I C 0.901 176.966 176.117 -0.086 0.000 1.107 3323 I CA -0.212 61.040 61.300 -0.080 0.000 1.219 3323 I CB -0.241 37.714 38.000 -0.076 0.000 1.455 3323 I HN 0.933 nan 8.210 nan 0.000 0.498 3324 D N 3.977 124.318 120.400 -0.098 0.000 2.117 3324 D HA -0.112 4.529 4.640 0.002 0.000 0.198 3324 D C 1.462 177.715 176.300 -0.079 0.000 0.982 3324 D CA 1.481 55.413 54.000 -0.113 0.000 0.828 3324 D CB 0.200 40.906 40.800 -0.157 0.000 0.967 3324 D HN 0.656 nan 8.370 nan 0.000 0.464 3325 G N -0.667 108.094 108.800 -0.065 0.000 2.184 3325 G HA2 -0.207 3.754 3.960 0.002 0.000 0.206 3325 G HA3 -0.207 3.754 3.960 0.002 0.000 0.206 3325 G C 0.872 175.753 174.900 -0.032 0.000 0.995 3325 G CA 0.455 45.527 45.100 -0.047 0.000 0.651 3325 G HN 0.251 nan 8.290 nan 0.000 0.511 3326 M N -1.297 118.283 119.600 -0.033 0.000 3.049 3326 M HA 0.432 4.913 4.480 0.002 0.000 0.234 3326 M C 2.163 178.457 176.300 -0.009 0.000 1.632 3326 M CA 0.895 56.189 55.300 -0.010 0.000 1.259 3326 M CB -0.814 31.786 32.600 0.001 0.000 1.199 3326 M HN 0.210 nan 8.290 nan 0.000 0.580 3327 L N 0.606 121.814 121.223 -0.024 0.000 2.102 3327 L HA 0.230 4.571 4.340 0.002 0.000 0.202 3327 L C 0.233 177.071 176.870 -0.052 0.000 1.076 3327 L CA 1.217 56.042 54.840 -0.025 0.000 0.761 3327 L CB 0.373 42.417 42.059 -0.026 0.000 0.921 3327 L HN 0.099 nan 8.230 nan 0.000 0.444 3328 L N 0.266 121.448 121.223 -0.069 0.000 2.372 3328 L HA 0.252 4.593 4.340 0.002 0.000 0.274 3328 L C 0.400 177.225 176.870 -0.076 0.000 0.988 3328 L CA -0.368 54.420 54.840 -0.087 0.000 0.833 3328 L CB 1.901 43.898 42.059 -0.103 0.000 1.236 3328 L HN 0.111 nan 8.230 nan 0.000 0.410 3329 L N 2.666 123.844 121.223 -0.076 0.000 2.313 3329 L HA 0.052 4.393 4.340 0.002 0.000 0.214 3329 L C 0.636 177.465 176.870 -0.068 0.000 1.119 3329 L CA 0.925 55.726 54.840 -0.064 0.000 0.809 3329 L CB -0.393 41.632 42.059 -0.057 0.000 0.933 3329 L HN 0.644 nan 8.230 nan 0.000 0.449 3330 K N -1.685 118.665 120.400 -0.082 0.000 2.617 3330 K HA 0.308 4.629 4.320 0.002 0.000 0.293 3330 K C -0.448 176.098 176.600 -0.090 0.000 1.034 3330 K CA -0.750 55.490 56.287 -0.079 0.000 0.884 3330 K CB 0.712 33.169 32.500 -0.072 0.000 1.541 3330 K HN -0.148 nan 8.250 nan 0.000 0.409 3331 T N -1.625 112.880 114.554 -0.083 0.000 2.906 3331 T HA 0.088 4.439 4.350 0.002 0.000 0.320 3331 T C -1.782 172.861 174.700 -0.096 0.000 1.088 3331 T CA -0.622 61.425 62.100 -0.089 0.000 1.120 3331 T CB 0.333 69.151 68.868 -0.083 0.000 1.000 3331 T HN 0.333 nan 8.240 nan 0.000 0.550 3332 P HA -0.082 nan 4.420 nan 0.000 0.216 3332 P C 1.377 178.630 177.300 -0.079 0.000 1.150 3332 P CA 1.036 64.077 63.100 -0.098 0.000 0.837 3332 P CB 0.045 31.687 31.700 -0.097 0.000 0.786 3333 E N -0.065 120.090 120.200 -0.075 0.000 2.070 3333 E HA -0.211 4.140 4.350 0.002 0.000 0.197 3333 E C 1.882 178.451 176.600 -0.052 0.000 1.004 3333 E CA 1.451 57.815 56.400 -0.059 0.000 0.805 3333 E CB -0.842 28.819 29.700 -0.064 0.000 0.744 3333 E HN 0.469 nan 8.360 nan 0.000 0.451 3334 E N 0.077 120.240 120.200 -0.061 0.000 2.107 3334 E HA -0.067 4.284 4.350 0.002 0.000 0.191 3334 E C 2.197 178.756 176.600 -0.068 0.000 0.982 3334 E CA 0.497 56.863 56.400 -0.056 0.000 0.809 3334 E CB -0.130 29.535 29.700 -0.058 0.000 0.756 3334 E HN 0.180 nan 8.360 nan 0.000 0.459 3335 L N 1.578 122.745 121.223 -0.095 0.000 1.989 3335 L HA -0.265 4.076 4.340 0.002 0.000 0.211 3335 L C 2.832 179.632 176.870 -0.118 0.000 1.071 3335 L CA 1.730 56.486 54.840 -0.139 0.000 0.749 3335 L CB -0.739 41.210 42.059 -0.184 0.000 0.890 3335 L HN 0.221 nan 8.230 nan 0.000 0.431 3336 Q N 0.021 119.778 119.800 -0.072 0.000 2.508 3336 Q HA -0.142 4.199 4.340 0.002 0.000 0.214 3336 Q C 2.004 178.005 176.000 0.001 0.000 0.979 3336 Q CA 1.109 56.902 55.803 -0.017 0.000 0.911 3336 Q CB -0.317 28.432 28.738 0.018 0.000 0.969 3336 Q HN 0.480 nan 8.270 nan 0.000 0.504 3337 A N 2.506 125.316 122.820 -0.017 0.000 1.855 3337 A HA -0.175 4.146 4.320 0.002 0.000 0.215 3337 A C 1.135 178.722 177.584 0.005 0.000 1.191 3337 A CA 0.991 53.026 52.037 -0.004 0.000 0.613 3337 A CB -0.638 18.354 19.000 -0.013 0.000 0.829 3337 A HN 0.702 nan 8.150 nan 0.000 0.442 3338 E N -0.997 119.199 120.200 -0.008 0.000 2.436 3338 E HA 0.121 4.472 4.350 0.002 0.000 0.262 3338 E C 0.170 176.799 176.600 0.047 0.000 1.063 3338 E CA 0.035 56.442 56.400 0.012 0.000 0.944 3338 E CB 0.395 30.094 29.700 -0.002 0.000 0.950 3338 E HN 0.238 nan 8.360 nan 0.000 0.444 3339 R N 1.337 121.872 120.500 0.058 0.000 2.250 3339 R HA 0.115 4.456 4.340 0.002 0.000 0.194 3339 R C -0.154 176.207 176.300 0.101 0.000 0.927 3339 R CA 0.117 56.260 56.100 0.071 0.000 1.052 3339 R CB -0.049 30.276 30.300 0.041 0.000 1.055 3339 R HN 0.530 nan 8.270 nan 0.000 0.537 3340 N N 1.098 119.856 118.700 0.096 0.000 2.744 3340 N HA 0.125 4.865 4.740 0.002 0.000 0.290 3340 N C -1.382 174.260 175.510 0.218 0.000 1.206 3340 N CA 0.427 53.540 53.050 0.105 0.000 1.119 3340 N CB -0.107 38.421 38.487 0.070 0.000 1.449 3340 N HN 0.002 nan 8.380 nan 0.000 0.514 3341 F N -0.171 119.785 119.950 0.011 0.000 2.708 3341 F HA 0.191 4.719 4.527 0.002 0.000 0.309 3341 F C -0.727 175.116 175.800 0.072 0.000 1.120 3341 F CA -1.087 56.931 58.000 0.031 0.000 0.978 3341 F CB 0.985 40.001 39.000 0.026 0.000 1.283 3341 F HN 0.246 nan 8.300 nan 0.000 0.439 3342 H N 2.833 121.282 119.070 -1.036 0.000 2.886 3342 H HA 0.462 5.019 4.556 0.001 0.000 0.329 3342 H C -0.548 174.397 175.328 -0.639 0.000 1.044 3342 H CA 0.726 56.322 56.048 -0.753 0.000 1.456 3342 H CB 0.763 30.082 29.762 -0.738 0.000 1.464 3342 H HN 0.689 nan 8.280 nan 0.000 0.573 3343 T N 2.591 117.042 114.554 -0.171 0.000 2.887 3343 T HA 0.522 4.873 4.350 0.002 0.000 0.288 3343 T C -0.153 174.454 174.700 -0.155 0.000 1.021 3343 T CA -0.708 61.310 62.100 -0.137 0.000 1.000 3343 T CB 1.660 70.470 68.868 -0.096 0.000 1.034 3343 T HN 0.467 nan 8.240 nan 0.000 0.467 3344 V N -1.746 118.165 119.914 -0.004 0.000 3.160 3344 V HA 0.835 4.956 4.120 0.002 0.000 0.310 3344 V C -3.278 172.982 176.094 0.276 0.000 1.181 3344 V CA -3.370 58.942 62.300 0.020 0.000 1.047 3344 V CB 1.468 33.213 31.823 -0.130 0.000 1.068 3344 V HN 0.673 nan 8.190 nan 0.000 0.441 3345 P HA 0.202 nan 4.420 nan 0.000 0.263 3345 P C -1.543 176.085 177.300 0.546 0.000 1.195 3345 P CA 0.675 63.988 63.100 0.355 0.000 0.762 3345 P CB -0.212 31.510 31.700 0.037 0.000 0.799 3346 Y N 3.582 124.084 120.300 0.338 0.000 2.406 3346 Y HA 0.558 5.109 4.550 0.001 0.000 0.340 3346 Y C -0.667 175.213 175.900 -0.033 0.000 0.975 3346 Y CA -1.504 56.611 58.100 0.025 0.000 1.056 3346 Y CB 1.657 39.735 38.460 -0.638 0.000 1.210 3346 Y HN 0.198 nan 8.280 nan 0.000 0.448 3347 M N 7.792 127.304 119.600 -0.146 0.000 2.125 3347 M HA 0.482 4.963 4.480 0.002 0.000 0.321 3347 M C -2.240 173.780 176.300 -0.465 0.000 0.983 3347 M CA -0.741 54.282 55.300 -0.462 0.000 0.934 3347 M CB 0.969 32.999 32.600 -0.950 0.000 1.542 3347 M HN 0.417 nan 8.290 nan 0.000 0.424 3348 V N 4.738 124.346 119.914 -0.510 0.000 2.357 3348 V HA 0.809 4.930 4.120 0.002 0.000 0.284 3348 V C 0.408 176.207 176.094 -0.492 0.000 1.018 3348 V CA -0.501 61.486 62.300 -0.521 0.000 0.841 3348 V CB 1.238 32.681 31.823 -0.633 0.000 0.991 3348 V HN 0.975 nan 8.190 nan 0.000 0.437 3349 G N 4.482 112.926 108.800 -0.595 0.000 2.569 3349 G HA2 0.896 4.857 3.960 0.002 0.000 0.300 3349 G HA3 0.896 4.857 3.960 0.002 0.000 0.300 3349 G C -1.087 173.435 174.900 -0.630 0.000 1.269 3349 G CA -0.710 43.629 45.100 -1.269 0.000 0.959 3349 G HN 0.885 nan 8.290 nan 0.000 0.478 3350 I N -2.037 118.242 120.570 -0.485 0.000 3.095 3350 I HA 0.631 4.802 4.170 0.002 0.000 0.310 3350 I C -1.385 174.757 176.117 0.041 0.000 1.196 3350 I CA -1.384 59.835 61.300 -0.134 0.000 0.985 3350 I CB 2.530 40.481 38.000 -0.082 0.000 1.250 3350 I HN 0.221 nan 8.210 nan 0.000 0.446 3351 N N 2.124 120.876 118.700 0.087 0.000 2.489 3351 N HA 0.299 5.040 4.740 0.002 0.000 0.284 3351 N C 0.374 175.976 175.510 0.154 0.000 1.158 3351 N CA -0.713 52.459 53.050 0.204 0.000 0.965 3351 N CB 1.641 40.253 38.487 0.209 0.000 1.195 3351 N HN 0.598 nan 8.380 nan 0.000 0.506 3352 K N 0.651 121.161 120.400 0.183 0.000 2.020 3352 K HA -0.121 4.200 4.320 0.002 0.000 0.212 3352 K C -0.124 176.553 176.600 0.130 0.000 1.050 3352 K CA 1.843 58.212 56.287 0.137 0.000 0.929 3352 K CB 0.013 32.587 32.500 0.122 0.000 0.714 3352 K HN 0.577 nan 8.250 nan 0.000 0.443 3353 Q N 0.325 120.211 119.800 0.144 0.000 2.700 3353 Q HA 0.124 4.465 4.340 0.002 0.000 0.249 3353 Q C -0.167 175.924 176.000 0.152 0.000 1.033 3353 Q CA -0.327 55.565 55.803 0.149 0.000 0.804 3353 Q CB 1.518 30.343 28.738 0.146 0.000 1.164 3353 Q HN 0.142 nan 8.270 nan 0.000 0.500 3354 E N 0.490 120.762 120.200 0.120 0.000 2.153 3354 E HA -0.155 4.196 4.350 0.002 0.000 0.194 3354 E C 0.406 177.085 176.600 0.132 0.000 0.988 3354 E CA 1.134 57.555 56.400 0.035 0.000 0.811 3354 E CB 0.198 29.755 29.700 -0.237 0.000 0.746 3354 E HN 0.489 nan 8.360 nan 0.000 0.466 3355 F N 0.576 120.539 119.950 0.021 0.000 2.750 3355 F HA 0.264 4.792 4.527 0.002 0.000 0.297 3355 F C 1.638 177.458 175.800 0.034 0.000 1.138 3355 F CA -0.360 57.637 58.000 -0.004 0.000 1.346 3355 F CB 0.358 39.333 39.000 -0.042 0.000 0.965 3355 F HN -0.079 nan 8.300 nan 0.000 0.514 3356 G N 0.783 109.642 108.800 0.098 0.000 2.604 3356 G HA2 -0.319 3.642 3.960 0.002 0.000 0.216 3356 G HA3 -0.319 3.642 3.960 0.002 0.000 0.216 3356 G C 1.045 176.020 174.900 0.126 0.000 1.265 3356 G CA 1.484 46.661 45.100 0.128 0.000 0.804 3356 G HN 0.608 nan 8.290 nan 0.000 0.579 3357 W N -0.773 120.483 121.300 -0.075 0.000 4.654 3357 W HA 0.390 5.050 4.660 0.001 0.000 0.196 3357 W C 2.017 178.471 176.519 -0.108 0.000 0.957 3357 W CA 0.167 57.462 57.345 -0.084 0.000 2.022 3357 W CB -0.554 28.900 29.460 -0.010 0.000 0.791 3357 W HN 0.130 nan 8.180 nan 0.000 0.953 3358 L N 1.886 123.080 121.223 -0.049 0.000 1.980 3358 L HA -0.312 4.029 4.340 0.002 0.000 0.232 3358 L C 2.329 178.967 176.870 -0.387 0.000 1.092 3358 L CA 3.293 57.978 54.840 -0.259 0.000 0.808 3358 L CB -1.158 41.012 42.059 0.185 0.000 0.908 3358 L HN 0.180 nan 8.230 nan 0.000 0.442 3359 I N -0.835 119.561 120.570 -0.290 0.000 2.127 3359 I HA -0.258 3.913 4.170 0.002 0.000 0.241 3359 I C -0.338 175.506 176.117 -0.455 0.000 1.075 3359 I CA 1.605 62.718 61.300 -0.312 0.000 1.334 3359 I CB -1.873 35.982 38.000 -0.242 0.000 1.040 3359 I HN 0.332 nan 8.210 nan 0.000 0.405 3360 P HA -0.171 nan 4.420 nan 0.000 0.215 3360 P C 1.158 178.276 177.300 -0.302 0.000 1.157 3360 P CA 1.201 63.894 63.100 -0.678 0.000 0.868 3360 P CB -0.066 31.125 31.700 -0.849 0.000 0.788 3364 M N 0.258 119.865 119.600 0.012 0.000 2.561 3364 M HA 0.157 4.638 4.480 0.002 0.000 0.238 3364 M C 0.204 176.574 176.300 0.116 0.000 1.131 3364 M CA 0.285 55.652 55.300 0.111 0.000 1.046 3364 M CB 0.374 33.123 32.600 0.249 0.000 1.532 3364 M HN 0.209 nan 8.290 nan 0.000 0.497 3365 S N 0.700 116.449 115.700 0.081 0.000 3.530 3365 S HA -0.168 4.303 4.470 0.002 0.000 0.472 3365 S C -0.737 173.926 174.600 0.104 0.000 0.818 3365 S CA 0.213 58.453 58.200 0.067 0.000 1.367 3365 S CB -1.371 61.841 63.200 0.019 0.000 0.912 3365 S HN 0.391 nan 8.310 nan 0.000 0.672 3366 Y N 1.568 121.876 120.300 0.014 0.000 2.301 3366 Y HA 0.366 4.917 4.550 0.002 0.000 0.325 3366 Y C -1.055 174.878 175.900 0.055 0.000 1.203 3366 Y CA -1.767 56.373 58.100 0.067 0.000 1.255 3366 Y CB 0.495 39.023 38.460 0.114 0.000 1.232 3366 Y HN 0.179 nan 8.280 nan 0.000 0.501 3367 P HA -0.043 nan 4.420 nan 0.000 0.236 3367 P C -0.629 176.739 177.300 0.114 0.000 1.172 3367 P CA 0.902 64.047 63.100 0.074 0.000 0.759 3367 P CB 0.002 31.716 31.700 0.024 0.000 0.843 3368 L N -0.276 121.061 121.223 0.190 0.000 2.515 3368 L HA 0.135 4.476 4.340 0.002 0.000 0.281 3368 L C 1.380 178.322 176.870 0.120 0.000 1.131 3368 L CA 0.306 55.240 54.840 0.156 0.000 0.905 3368 L CB 0.005 42.186 42.059 0.203 0.000 1.246 3368 L HN -0.041 nan 8.230 nan 0.000 0.463 3369 S N 0.746 116.499 115.700 0.088 0.000 2.691 3369 S HA 0.045 4.516 4.470 0.002 0.000 0.258 3369 S C 1.409 176.047 174.600 0.064 0.000 1.078 3369 S CA -0.274 57.972 58.200 0.077 0.000 1.000 3369 S CB 0.348 63.587 63.200 0.064 0.000 0.942 3369 S HN 0.614 nan 8.310 nan 0.000 0.521 3370 E N 1.185 121.418 120.200 0.055 0.000 2.208 3370 E HA 0.138 4.489 4.350 0.002 0.000 0.193 3370 E C 1.540 178.168 176.600 0.048 0.000 0.988 3370 E CA 0.997 57.423 56.400 0.044 0.000 0.828 3370 E CB -0.328 29.392 29.700 0.034 0.000 0.763 3370 E HN 0.703 nan 8.360 nan 0.000 0.478 3371 G N 1.576 110.412 108.800 0.060 0.000 2.144 3371 G HA2 -0.239 3.722 3.960 0.002 0.000 0.218 3371 G HA3 -0.239 3.722 3.960 0.002 0.000 0.218 3371 G C 0.140 175.076 174.900 0.060 0.000 0.988 3371 G CA 0.507 45.646 45.100 0.064 0.000 0.659 3371 G HN 0.376 nan 8.290 nan 0.000 0.522 3372 Q N -1.628 118.202 119.800 0.051 0.000 2.590 3372 Q HA 0.895 5.236 4.340 0.002 0.000 0.295 3372 Q C -1.712 174.303 176.000 0.026 0.000 0.973 3372 Q CA -1.335 54.494 55.803 0.043 0.000 0.768 3372 Q CB 2.227 30.986 28.738 0.035 0.000 1.479 3372 Q HN 0.749 nan 8.270 nan 0.000 0.419 3373 L N 1.273 122.505 121.223 0.015 0.000 2.612 3373 L HA 0.451 4.792 4.340 0.002 0.000 0.256 3373 L C -2.059 174.803 176.870 -0.014 0.000 0.949 3373 L CA -0.132 54.694 54.840 -0.024 0.000 0.867 3373 L CB 2.307 44.313 42.059 -0.087 0.000 1.417 3373 L HN 0.928 nan 8.230 nan 0.000 0.414 3374 D N 2.119 122.504 120.400 -0.024 0.000 2.392 3374 D HA 0.242 4.883 4.640 0.002 0.000 0.246 3374 D C 0.034 176.331 176.300 -0.005 0.000 1.013 3374 D CA -0.483 53.515 54.000 -0.003 0.000 0.993 3374 D CB 1.189 41.991 40.800 0.003 0.000 1.219 3374 D HN 0.505 nan 8.370 nan 0.000 0.538 3375 Q N -0.070 119.743 119.800 0.021 0.000 2.112 3375 Q HA -0.165 4.176 4.340 0.002 0.000 0.206 3375 Q C 1.635 177.653 176.000 0.031 0.000 0.987 3375 Q CA 1.420 57.246 55.803 0.038 0.000 0.858 3375 Q CB -0.121 28.642 28.738 0.043 0.000 0.905 3375 Q HN 0.455 nan 8.270 nan 0.000 0.420 3376 K N -0.104 120.307 120.400 0.018 0.000 2.025 3376 K HA -0.040 4.281 4.320 0.002 0.000 0.207 3376 K C 2.079 178.686 176.600 0.012 0.000 1.049 3376 K CA 1.301 57.598 56.287 0.018 0.000 0.933 3376 K CB -0.617 31.890 32.500 0.012 0.000 0.714 3376 K HN 0.206 nan 8.250 nan 0.000 0.438 3377 T N 1.256 115.803 114.554 -0.011 0.000 3.055 3377 T HA 0.036 4.387 4.350 0.002 0.000 0.265 3377 T C 1.849 176.502 174.700 -0.079 0.000 1.111 3377 T CA 0.883 62.964 62.100 -0.030 0.000 1.118 3377 T CB 0.011 68.853 68.868 -0.044 0.000 0.909 3377 T HN 0.266 nan 8.240 nan 0.000 0.501 3378 A N 1.816 124.577 122.820 -0.100 0.000 1.854 3378 A HA 0.043 4.364 4.320 0.002 0.000 0.214 3378 A C 2.295 179.922 177.584 0.072 0.000 1.192 3378 A CA 1.131 53.057 52.037 -0.185 0.000 0.611 3378 A CB -0.629 18.335 19.000 -0.059 0.000 0.832 3378 A HN 0.394 nan 8.150 nan 0.000 0.442 3379 M N -0.574 119.098 119.600 0.121 0.000 2.149 3379 M HA -0.156 4.325 4.480 0.002 0.000 0.261 3379 M C 2.539 178.960 176.300 0.201 0.000 1.064 3379 M CA 1.778 57.183 55.300 0.175 0.000 1.102 3379 M CB -0.360 32.306 32.600 0.111 0.000 1.369 3379 M HN 0.540 nan 8.290 nan 0.000 0.408 3380 S N 0.731 116.516 115.700 0.142 0.000 2.348 3380 S HA -0.092 4.378 4.470 0.002 0.000 0.221 3380 S C 1.817 176.553 174.600 0.226 0.000 1.033 3380 S CA 1.061 59.364 58.200 0.172 0.000 1.010 3380 S CB -0.205 63.054 63.200 0.099 0.000 0.891 3380 S HN 0.399 nan 8.310 nan 0.000 0.442 3381 L N 0.742 122.061 121.223 0.159 0.000 2.017 3381 L HA -0.102 4.239 4.340 0.002 0.000 0.208 3381 L C 2.492 179.585 176.870 0.371 0.000 1.073 3381 L CA 1.122 56.083 54.840 0.201 0.000 0.745 3381 L CB -0.496 41.621 42.059 0.098 0.000 0.894 3381 L HN 0.368 nan 8.230 nan 0.000 0.432 3382 L N -0.495 121.027 121.223 0.499 0.000 2.081 3382 L HA -0.301 4.040 4.340 0.002 0.000 0.212 3382 L C 2.164 179.275 176.870 0.401 0.000 1.080 3382 L CA 1.885 57.011 54.840 0.477 0.000 0.754 3382 L CB -0.742 41.595 42.059 0.464 0.000 0.893 3382 L HN 0.386 nan 8.230 nan 0.000 0.433 3383 W N 0.569 121.985 121.300 0.193 0.000 2.378 3383 W HA -0.262 4.399 4.660 0.002 0.000 0.313 3383 W C 2.193 178.810 176.519 0.163 0.000 1.197 3383 W CA 1.454 58.901 57.345 0.170 0.000 1.304 3383 W CB -0.029 29.498 29.460 0.111 0.000 1.148 3383 W HN 0.101 nan 8.180 nan 0.000 0.494 3384 K N 0.387 120.798 120.400 0.018 0.000 2.280 3384 K HA -0.107 4.214 4.320 0.002 0.000 0.202 3384 K C 1.702 178.245 176.600 -0.095 0.000 1.047 3384 K CA 1.428 57.625 56.287 -0.150 0.000 0.942 3384 K CB -0.287 32.183 32.500 -0.050 0.000 0.739 3384 K HN -0.079 nan 8.250 nan 0.000 0.457 3385 S N 0.426 116.145 115.700 0.032 0.000 2.701 3385 S HA -0.018 4.453 4.470 0.002 0.000 0.220 3385 S C 0.964 175.558 174.600 -0.011 0.000 0.954 3385 S CA -0.200 58.034 58.200 0.057 0.000 0.936 3385 S CB -0.287 63.004 63.200 0.153 0.000 0.777 3385 S HN 0.317 nan 8.310 nan 0.000 0.518 3386 Y N 3.915 124.087 120.300 -0.213 0.000 2.069 3386 Y HA -0.161 4.390 4.550 0.002 0.000 0.278 3386 Y C -0.810 174.983 175.900 -0.180 0.000 1.175 3386 Y CA 1.847 59.797 58.100 -0.251 0.000 1.134 3386 Y CB -1.093 37.040 38.460 -0.545 0.000 0.965 3386 Y HN 0.252 nan 8.280 nan 0.000 0.498 3387 P HA -0.157 nan 4.420 nan 0.000 0.229 3387 P C 1.076 178.290 177.300 -0.142 0.000 1.150 3387 P CA 1.540 64.597 63.100 -0.072 0.000 0.765 3387 P CB -0.044 31.654 31.700 -0.003 0.000 0.783 3388 L N -0.846 120.277 121.223 -0.167 0.000 2.435 3388 L HA 0.043 4.384 4.340 0.002 0.000 0.195 3388 L C 2.316 179.011 176.870 -0.291 0.000 1.072 3388 L CA 0.614 55.339 54.840 -0.193 0.000 0.833 3388 L CB -0.289 41.687 42.059 -0.138 0.000 1.081 3388 L HN -0.216 nan 8.230 nan 0.000 0.485 3389 V N -5.026 114.708 119.914 -0.300 0.000 3.650 3389 V HA 0.078 4.199 4.120 0.002 0.000 0.271 3389 V C 1.105 177.001 176.094 -0.331 0.000 1.281 3389 V CA -0.656 61.452 62.300 -0.320 0.000 1.120 3389 V CB -0.701 30.947 31.823 -0.291 0.000 0.856 3389 V HN 0.545 nan 8.190 nan 0.000 0.443 3390 C N 1.388 120.370 119.300 -0.530 0.000 3.886 3390 C HA -0.191 4.270 4.460 0.002 0.000 0.295 3390 C C 0.673 175.416 174.990 -0.412 0.000 1.411 3390 C CA 0.080 58.589 59.018 -0.849 0.000 2.059 3390 C CB -3.070 24.295 27.740 -0.626 0.000 1.329 3390 C HN 0.657 nan 8.230 nan 0.000 0.670 3391 I N 0.930 121.446 120.570 -0.091 0.000 2.353 3391 I HA 0.512 4.683 4.170 0.002 0.000 0.293 3391 I C 1.063 177.505 176.117 0.541 0.000 0.992 3391 I CA 0.027 61.525 61.300 0.331 0.000 1.268 3391 I CB 1.006 39.214 38.000 0.347 0.000 1.387 3391 I HN 0.486 nan 8.210 nan 0.000 0.478 3392 A N 5.877 128.997 122.820 0.500 0.000 2.455 3392 A HA 0.040 4.361 4.320 0.002 0.000 0.244 3392 A C 1.289 179.111 177.584 0.398 0.000 1.099 3392 A CA 0.093 52.417 52.037 0.477 0.000 0.786 3392 A CB 0.194 19.370 19.000 0.293 0.000 1.051 3392 A HN 0.899 nan 8.150 nan 0.000 0.508 3393 K N -0.401 120.073 120.400 0.123 0.000 2.305 3393 K HA -0.059 4.262 4.320 0.002 0.000 0.199 3393 K C 1.484 177.999 176.600 -0.142 0.000 1.047 3393 K CA 1.167 57.276 56.287 -0.297 0.000 0.976 3393 K CB 0.059 31.971 32.500 -0.979 0.000 0.765 3393 K HN 0.820 nan 8.250 nan 0.000 0.474 3394 E N 0.658 120.834 120.200 -0.040 0.000 2.385 3394 E HA -0.107 4.244 4.350 0.002 0.000 0.194 3394 E C 1.574 178.190 176.600 0.026 0.000 1.013 3394 E CA 0.478 56.865 56.400 -0.021 0.000 0.866 3394 E CB -0.014 29.681 29.700 -0.008 0.000 0.832 3394 E HN 0.341 nan 8.360 nan 0.000 0.500 3395 L N 0.546 121.816 121.223 0.078 0.000 2.375 3395 L HA 0.029 4.370 4.340 0.002 0.000 0.215 3395 L C 2.341 179.278 176.870 0.112 0.000 1.108 3395 L CA -0.083 54.810 54.840 0.088 0.000 0.830 3395 L CB -0.233 41.906 42.059 0.132 0.000 0.959 3395 L HN 0.008 nan 8.230 nan 0.000 0.457 3396 I N 0.838 121.491 120.570 0.138 0.000 2.145 3396 I HA -0.221 3.950 4.170 0.002 0.000 0.244 3396 I C -0.007 176.191 176.117 0.134 0.000 1.075 3396 I CA 2.041 63.443 61.300 0.170 0.000 1.332 3396 I CB -2.380 35.719 38.000 0.164 0.000 1.033 3396 I HN 0.183 nan 8.210 nan 0.000 0.410 3397 P HA -0.174 nan 4.420 nan 0.000 0.215 3397 P C 1.784 179.132 177.300 0.079 0.000 1.157 3397 P CA 1.460 64.602 63.100 0.071 0.000 0.868 3397 P CB -0.006 31.717 31.700 0.037 0.000 0.788 3398 E N -0.684 119.559 120.200 0.071 0.000 2.072 3398 E HA -0.167 4.184 4.350 0.002 0.000 0.191 3398 E C 1.956 178.641 176.600 0.142 0.000 0.985 3398 E CA 1.059 57.508 56.400 0.082 0.000 0.801 3398 E CB -0.437 29.292 29.700 0.048 0.000 0.750 3398 E HN 0.037 nan 8.360 nan 0.000 0.452 3399 A N 0.243 123.150 122.820 0.145 0.000 1.877 3399 A HA -0.166 4.154 4.320 0.002 0.000 0.216 3399 A C 2.371 180.068 177.584 0.189 0.000 1.186 3399 A CA 2.041 54.187 52.037 0.181 0.000 0.620 3399 A CB -0.935 18.187 19.000 0.203 0.000 0.822 3399 A HN 0.290 nan 8.150 nan 0.000 0.443 3400 T N -0.446 114.219 114.554 0.185 0.000 2.788 3400 T HA -0.117 4.234 4.350 0.002 0.000 0.268 3400 T C 1.880 176.677 174.700 0.162 0.000 1.044 3400 T CA 1.692 63.914 62.100 0.203 0.000 1.139 3400 T CB -0.188 68.801 68.868 0.201 0.000 0.867 3400 T HN 0.615 nan 8.240 nan 0.000 0.454 3401 E N 1.340 121.605 120.200 0.109 0.000 2.152 3401 E HA -0.069 4.282 4.350 0.002 0.000 0.192 3401 E C 2.012 178.620 176.600 0.013 0.000 0.983 3401 E CA 1.047 57.484 56.400 0.061 0.000 0.818 3401 E CB -0.140 29.586 29.700 0.042 0.000 0.758 3401 E HN 0.231 nan 8.360 nan 0.000 0.467 3402 K N -1.151 119.237 120.400 -0.021 0.000 2.288 3402 K HA -0.048 4.272 4.320 0.002 0.000 0.201 3402 K C 1.126 177.589 176.600 -0.229 0.000 1.048 3402 K CA 1.134 57.283 56.287 -0.231 0.000 0.956 3402 K CB -0.274 31.854 32.500 -0.620 0.000 0.746 3402 K HN 0.222 nan 8.250 nan 0.000 0.461 3403 Y N -0.752 119.454 120.300 -0.158 0.000 2.500 3403 Y HA 0.254 4.805 4.550 0.001 0.000 0.284 3403 Y C 1.382 177.286 175.900 0.007 0.000 1.118 3403 Y CA 0.516 58.574 58.100 -0.070 0.000 1.241 3403 Y CB 0.487 38.952 38.460 0.009 0.000 1.171 3403 Y HN -0.132 nan 8.280 nan 0.000 0.540 3404 L N -1.478 119.866 121.223 0.201 0.000 2.616 3404 L HA 0.264 4.605 4.340 0.002 0.000 0.229 3404 L C 2.090 179.008 176.870 0.081 0.000 1.110 3404 L CA 0.564 55.495 54.840 0.152 0.000 0.884 3404 L CB -0.309 41.859 42.059 0.182 0.000 1.115 3404 L HN 0.187 nan 8.230 nan 0.000 0.481 3405 G N 0.332 109.161 108.800 0.048 0.000 2.708 3405 G HA2 -0.022 3.939 3.960 0.002 0.000 0.210 3405 G HA3 -0.022 3.939 3.960 0.002 0.000 0.210 3405 G C 1.292 176.194 174.900 0.005 0.000 1.141 3405 G CA 0.569 45.681 45.100 0.020 0.000 0.788 3405 G HN 0.417 nan 8.290 nan 0.000 0.531 3406 G N 0.776 109.579 108.800 0.004 0.000 2.879 3406 G HA2 0.112 4.073 3.960 0.002 0.000 0.200 3406 G HA3 0.112 4.073 3.960 0.002 0.000 0.200 3406 G C 1.159 176.063 174.900 0.007 0.000 1.437 3406 G CA 1.544 46.641 45.100 -0.005 0.000 0.835 3406 G HN 0.616 nan 8.290 nan 0.000 0.640 3407 T N -2.264 112.301 114.554 0.018 0.000 2.814 3407 T HA 0.395 4.746 4.350 0.002 0.000 0.284 3407 T C 0.336 175.050 174.700 0.025 0.000 0.998 3407 T CA 0.097 62.209 62.100 0.019 0.000 0.935 3407 T CB 1.404 70.285 68.868 0.022 0.000 1.167 3407 T HN 0.212 nan 8.240 nan 0.000 0.545 3408 D N -0.712 119.701 120.400 0.022 0.000 2.369 3408 D HA 0.065 4.706 4.640 0.002 0.000 0.211 3408 D C -0.090 176.225 176.300 0.025 0.000 1.077 3408 D CA -0.074 53.940 54.000 0.022 0.000 0.842 3408 D CB 0.171 40.981 40.800 0.017 0.000 0.947 3408 D HN 0.562 nan 8.370 nan 0.000 0.509 3409 D N 2.170 122.587 120.400 0.028 0.000 2.346 3409 D HA -0.040 4.601 4.640 0.002 0.000 0.260 3409 D C 1.630 177.954 176.300 0.039 0.000 1.252 3409 D CA 0.215 54.233 54.000 0.031 0.000 0.895 3409 D CB 1.221 42.040 40.800 0.031 0.000 1.097 3409 D HN 0.040 nan 8.370 nan 0.000 0.489 3410 T N 0.585 115.160 114.554 0.034 0.000 2.759 3410 T HA -0.164 4.187 4.350 0.002 0.000 0.269 3410 T C 1.994 176.722 174.700 0.048 0.000 1.042 3410 T CA 1.072 63.194 62.100 0.037 0.000 1.140 3410 T CB -0.321 68.563 68.868 0.027 0.000 0.864 3410 T HN 0.228 nan 8.240 nan 0.000 0.455 3411 V N 1.654 121.597 119.914 0.047 0.000 2.427 3411 V HA -0.109 4.012 4.120 0.002 0.000 0.248 3411 V C 2.798 178.936 176.094 0.073 0.000 1.051 3411 V CA 1.784 64.118 62.300 0.057 0.000 1.048 3411 V CB -0.594 31.257 31.823 0.047 0.000 0.666 3411 V HN 0.511 nan 8.190 nan 0.000 0.456 3412 K N -0.109 120.332 120.400 0.068 0.000 2.155 3412 K HA -0.119 4.202 4.320 0.002 0.000 0.203 3412 K C 2.224 178.889 176.600 0.108 0.000 1.052 3412 K CA 1.024 57.359 56.287 0.080 0.000 0.948 3412 K CB -0.131 32.406 32.500 0.061 0.000 0.728 3412 K HN 0.400 nan 8.250 nan 0.000 0.448 3413 K N 0.923 121.384 120.400 0.103 0.000 2.148 3413 K HA -0.132 4.189 4.320 0.002 0.000 0.204 3413 K C 2.088 178.796 176.600 0.180 0.000 1.050 3413 K CA 0.964 57.330 56.287 0.131 0.000 0.942 3413 K CB 0.078 32.634 32.500 0.093 0.000 0.724 3413 K HN 0.029 nan 8.250 nan 0.000 0.446 3414 K N 1.076 121.563 120.400 0.146 0.000 2.103 3414 K HA -0.155 4.166 4.320 0.002 0.000 0.204 3414 K C 0.999 177.751 176.600 0.254 0.000 1.052 3414 K CA 1.530 57.924 56.287 0.178 0.000 0.945 3414 K CB 0.146 32.718 32.500 0.121 0.000 0.722 3414 K HN 0.043 nan 8.250 nan 0.000 0.443 3415 D N 1.070 121.589 120.400 0.197 0.000 2.149 3415 D HA -0.085 4.556 4.640 0.002 0.000 0.201 3415 D C 1.984 178.416 176.300 0.219 0.000 0.972 3415 D CA 0.782 54.898 54.000 0.192 0.000 0.835 3415 D CB 0.000 40.883 40.800 0.139 0.000 0.966 3415 D HN 0.234 nan 8.370 nan 0.000 0.476 3416 L N -0.127 121.232 121.223 0.226 0.000 2.376 3416 L HA -0.060 4.281 4.340 0.002 0.000 0.219 3416 L C 2.114 179.172 176.870 0.312 0.000 1.133 3416 L CA 0.238 55.232 54.840 0.257 0.000 0.816 3416 L CB -0.209 41.984 42.059 0.224 0.000 0.933 3416 L HN -0.050 nan 8.230 nan 0.000 0.449 3417 F N 0.469 120.512 119.950 0.156 0.000 2.293 3417 F HA -0.055 4.473 4.527 0.002 0.000 0.297 3417 F C 2.008 177.865 175.800 0.094 0.000 1.089 3417 F CA 1.088 59.157 58.000 0.116 0.000 1.377 3417 F CB 0.061 39.135 39.000 0.123 0.000 1.051 3417 F HN -0.124 nan 8.300 nan 0.000 0.511 3418 L N -0.271 121.076 121.223 0.207 0.000 2.217 3418 L HA -0.138 4.203 4.340 0.002 0.000 0.211 3418 L C 1.808 178.733 176.870 0.092 0.000 1.107 3418 L CA 0.910 55.864 54.840 0.189 0.000 0.783 3418 L CB -0.698 41.545 42.059 0.307 0.000 0.919 3418 L HN 0.040 nan 8.230 nan 0.000 0.442 3419 D N 0.074 120.550 120.400 0.127 0.000 2.224 3419 D HA -0.127 4.514 4.640 0.002 0.000 0.205 3419 D C 2.154 178.510 176.300 0.093 0.000 0.965 3419 D CA 0.652 54.755 54.000 0.171 0.000 0.852 3419 D CB 0.178 41.138 40.800 0.266 0.000 0.947 3419 D HN 0.141 nan 8.370 nan 0.000 0.494 3420 L N 1.254 122.383 121.223 -0.157 0.000 1.976 3420 L HA -0.122 4.219 4.340 0.002 0.000 0.209 3420 L C 2.211 178.801 176.870 -0.467 0.000 1.071 3420 L CA 1.388 55.869 54.840 -0.598 0.000 0.746 3420 L CB -0.937 40.684 42.059 -0.730 0.000 0.890 3420 L HN -0.029 nan 8.230 nan 0.000 0.432 3421 I N 0.334 120.570 120.570 -0.558 0.000 2.226 3421 I HA -0.274 3.897 4.170 0.002 0.000 0.245 3421 I C 2.767 178.648 176.117 -0.393 0.000 1.100 3421 I CA 1.162 62.079 61.300 -0.638 0.000 1.374 3421 I CB -0.565 36.757 38.000 -1.130 0.000 1.057 3421 I HN 0.313 nan 8.210 nan 0.000 0.413 3422 A N 0.570 123.304 122.820 -0.145 0.000 1.902 3422 A HA -0.233 4.088 4.320 0.002 0.000 0.217 3422 A C 1.938 179.591 177.584 0.115 0.000 1.181 3422 A CA 2.063 54.185 52.037 0.142 0.000 0.623 3422 A CB -0.556 18.562 19.000 0.196 0.000 0.818 3422 A HN 0.330 nan 8.150 nan 0.000 0.443 3423 D N -0.269 120.144 120.400 0.022 0.000 2.097 3423 D HA -0.101 4.540 4.640 0.002 0.000 0.195 3423 D C 2.059 178.246 176.300 -0.188 0.000 0.989 3423 D CA 1.544 55.561 54.000 0.029 0.000 0.827 3423 D CB -0.420 40.511 40.800 0.220 0.000 0.966 3423 D HN 0.227 nan 8.370 nan 0.000 0.456 3424 V N 0.742 120.390 119.914 -0.443 0.000 2.427 3424 V HA -0.179 3.942 4.120 0.002 0.000 0.248 3424 V C 2.347 178.180 176.094 -0.436 0.000 1.051 3424 V CA 1.239 63.169 62.300 -0.616 0.000 1.048 3424 V CB -0.373 30.961 31.823 -0.815 0.000 0.666 3424 V HN 0.224 nan 8.190 nan 0.000 0.456 3425 M N -1.804 117.535 119.600 -0.435 0.000 2.334 3425 M HA 0.119 4.600 4.480 0.002 0.000 0.266 3425 M C 1.682 177.470 176.300 -0.853 0.000 1.082 3425 M CA 1.846 56.723 55.300 -0.706 0.000 1.141 3425 M CB -0.012 32.024 32.600 -0.941 0.000 1.380 3425 M HN 0.386 nan 8.290 nan 0.000 0.440 3426 F N -1.598 118.288 119.950 -0.107 0.000 2.455 3426 F HA 0.362 4.890 4.527 0.002 0.000 0.278 3426 F C 2.347 178.106 175.800 -0.068 0.000 0.887 3426 F CA 0.107 58.069 58.000 -0.063 0.000 1.104 3426 F CB -1.216 37.783 39.000 -0.003 0.000 0.949 3426 F HN 0.011 nan 8.300 nan 0.000 0.750 3427 G N 1.258 110.154 108.800 0.161 0.000 2.628 3427 G HA2 -0.232 3.729 3.960 0.002 0.000 0.217 3427 G HA3 -0.232 3.729 3.960 0.002 0.000 0.217 3427 G C 1.706 176.627 174.900 0.034 0.000 1.240 3427 G CA 1.983 47.130 45.100 0.078 0.000 0.792 3427 G HN 0.156 nan 8.290 nan 0.000 0.593 3428 V N 2.335 122.267 119.914 0.031 0.000 2.255 3428 V HA -0.122 3.999 4.120 0.002 0.000 0.247 3428 V C 0.497 176.593 176.094 0.002 0.000 1.051 3428 V CA 2.432 64.759 62.300 0.045 0.000 1.018 3428 V CB -1.208 30.652 31.823 0.062 0.000 0.641 3428 V HN 0.295 nan 8.190 nan 0.000 0.445 3429 P HA -0.140 nan 4.420 nan 0.000 0.214 3429 P C 2.070 179.336 177.300 -0.056 0.000 1.163 3429 P CA 2.048 65.110 63.100 -0.064 0.000 0.889 3429 P CB -0.123 31.506 31.700 -0.118 0.000 0.790 3430 S N -0.821 114.845 115.700 -0.057 0.000 2.359 3430 S HA -0.136 4.335 4.470 0.002 0.000 0.224 3430 S C 2.013 176.522 174.600 -0.152 0.000 1.035 3430 S CA 1.423 59.559 58.200 -0.107 0.000 1.018 3430 S CB -1.302 61.836 63.200 -0.105 0.000 0.876 3430 S HN -0.061 nan 8.310 nan 0.000 0.448 3431 V N 2.034 121.882 119.914 -0.111 0.000 2.295 3431 V HA -0.161 3.960 4.120 0.002 0.000 0.246 3431 V C 2.082 178.152 176.094 -0.040 0.000 1.049 3431 V CA 1.538 63.775 62.300 -0.106 0.000 1.024 3431 V CB -0.635 31.179 31.823 -0.015 0.000 0.648 3431 V HN 0.448 nan 8.190 nan 0.000 0.447 3432 I N -0.399 120.172 120.570 0.002 0.000 2.208 3432 I HA -0.246 3.925 4.170 0.002 0.000 0.245 3432 I C 2.403 178.534 176.117 0.023 0.000 1.097 3432 I CA 1.395 62.714 61.300 0.033 0.000 1.363 3432 I CB -0.411 37.608 38.000 0.032 0.000 1.051 3432 I HN 0.158 nan 8.210 nan 0.000 0.413 3433 V N 0.905 120.810 119.914 -0.015 0.000 2.407 3433 V HA -0.293 3.828 4.120 0.002 0.000 0.248 3433 V C 2.656 178.754 176.094 0.008 0.000 1.055 3433 V CA 1.977 64.281 62.300 0.006 0.000 1.049 3433 V CB -0.831 30.980 31.823 -0.019 0.000 0.662 3433 V HN 0.501 nan 8.190 nan 0.000 0.455 3434 A N -0.047 122.705 122.820 -0.114 0.000 1.873 3434 A HA -0.215 4.106 4.320 0.002 0.000 0.215 3434 A C 2.338 179.973 177.584 0.084 0.000 1.186 3434 A CA 1.734 53.666 52.037 -0.174 0.000 0.616 3434 A CB -0.503 18.151 19.000 -0.576 0.000 0.823 3434 A HN 0.496 nan 8.150 nan 0.000 0.442 3435 R N -0.175 120.422 120.500 0.162 0.000 2.127 3435 R HA -0.098 4.243 4.340 0.002 0.000 0.238 3435 R C 1.925 178.336 176.300 0.185 0.000 1.134 3435 R CA 1.395 57.660 56.100 0.275 0.000 0.975 3435 R CB -0.345 30.087 30.300 0.219 0.000 0.865 3435 R HN 0.585 nan 8.270 nan 0.000 0.447 3436 N N -0.158 118.633 118.700 0.151 0.000 2.171 3436 N HA -0.157 4.584 4.740 0.002 0.000 0.184 3436 N C 1.708 177.319 175.510 0.167 0.000 1.021 3436 N CA 1.097 54.227 53.050 0.134 0.000 0.854 3436 N CB -0.118 38.436 38.487 0.111 0.000 0.994 3436 N HN 0.300 nan 8.380 nan 0.000 0.426 3437 H N 1.675 120.823 119.070 0.130 0.000 2.387 3437 H HA 0.007 4.564 4.556 0.001 0.000 0.299 3437 H C 2.296 177.710 175.328 0.143 0.000 1.090 3437 H CA 1.568 57.716 56.048 0.167 0.000 1.332 3437 H CB 0.090 29.998 29.762 0.244 0.000 1.386 3437 H HN 0.066 nan 8.280 nan 0.000 0.516 3438 R N 0.261 120.891 120.500 0.217 0.000 2.070 3438 R HA -0.127 4.214 4.340 0.002 0.000 0.233 3438 R C 1.102 177.441 176.300 0.064 0.000 1.137 3438 R CA 2.064 58.256 56.100 0.153 0.000 0.945 3438 R CB -0.169 30.275 30.300 0.239 0.000 0.845 3438 R HN 0.344 nan 8.270 nan 0.000 0.430 3439 D N 0.256 120.701 120.400 0.073 0.000 2.348 3439 D HA -0.034 4.607 4.640 0.002 0.000 0.216 3439 D C 1.383 177.696 176.300 0.021 0.000 0.970 3439 D CA 1.012 55.037 54.000 0.042 0.000 0.889 3439 D CB 0.081 40.911 40.800 0.051 0.000 0.912 3439 D HN 0.416 nan 8.370 nan 0.000 0.524 3440 A N -0.153 122.671 122.820 0.006 0.000 2.119 3440 A HA 0.338 4.659 4.320 0.002 0.000 0.217 3440 A C 1.807 179.366 177.584 -0.042 0.000 1.153 3440 A CA 1.218 53.246 52.037 -0.015 0.000 0.692 3440 A CB -0.149 18.831 19.000 -0.033 0.000 0.799 3440 A HN 0.264 nan 8.150 nan 0.000 0.458 3441 G N -2.776 105.992 108.800 -0.053 0.000 2.135 3441 G HA2 0.259 4.219 3.960 0.002 0.000 0.183 3441 G HA3 0.259 4.219 3.960 0.002 0.000 0.183 3441 G C 0.087 174.947 174.900 -0.068 0.000 1.004 3441 G CA 0.115 45.190 45.100 -0.043 0.000 0.677 3441 G HN 1.582 nan 8.290 nan 0.000 0.512 3442 A N -0.145 122.590 122.820 -0.143 0.000 2.374 3442 A HA 0.922 5.243 4.320 0.002 0.000 0.317 3442 A C -2.675 174.926 177.584 0.029 0.000 1.094 3442 A CA -1.740 50.223 52.037 -0.124 0.000 0.765 3442 A CB 1.557 20.337 19.000 -0.367 0.000 1.268 3442 A HN 0.048 nan 8.150 nan 0.000 0.438 3443 P HA 0.209 nan 4.420 nan 0.000 0.263 3443 P C -0.381 177.083 177.300 0.273 0.000 1.195 3443 P CA 0.789 63.980 63.100 0.152 0.000 0.762 3443 P CB 0.593 32.420 31.700 0.211 0.000 0.799 3444 T N 3.098 117.701 114.554 0.082 0.000 2.908 3444 T HA 0.625 4.976 4.350 0.002 0.000 0.290 3444 T C -1.039 173.518 174.700 -0.238 0.000 1.034 3444 T CA -0.243 61.928 62.100 0.118 0.000 1.010 3444 T CB 0.880 69.890 68.868 0.237 0.000 1.068 3444 T HN 0.138 nan 8.240 nan 0.000 0.481 3445 Y N 0.375 120.665 120.300 -0.015 0.000 2.519 3445 Y HA 0.623 5.174 4.550 0.002 0.000 0.336 3445 Y C -0.317 175.565 175.900 -0.030 0.000 1.089 3445 Y CA -1.008 57.075 58.100 -0.028 0.000 1.025 3445 Y CB 1.995 40.206 38.460 -0.416 0.000 1.318 3445 Y HN 0.399 nan 8.280 nan 0.000 0.452 3446 M N 3.016 122.860 119.600 0.407 0.000 2.658 3446 M HA 0.590 5.071 4.480 0.002 0.000 0.295 3446 M C -1.624 174.976 176.300 0.500 0.000 1.248 3446 M CA -0.988 54.428 55.300 0.194 0.000 0.843 3446 M CB 3.417 35.932 32.600 -0.142 0.000 1.749 3446 M HN 0.747 nan 8.290 nan 0.000 0.464 3447 Y N -1.641 118.786 120.300 0.212 0.000 2.670 3447 Y HA 0.709 5.260 4.550 0.002 0.000 0.334 3447 Y C -1.654 174.308 175.900 0.102 0.000 1.185 3447 Y CA -1.010 57.174 58.100 0.140 0.000 1.053 3447 Y CB 1.531 40.017 38.460 0.043 0.000 1.298 3447 Y HN 0.684 nan 8.280 nan 0.000 0.459 3448 E N 2.187 122.625 120.200 0.396 0.000 2.316 3448 E HA 0.292 4.643 4.350 0.002 0.000 0.254 3448 E C -2.160 174.689 176.600 0.415 0.000 0.902 3448 E CA -0.772 55.798 56.400 0.284 0.000 0.801 3448 E CB 1.120 30.907 29.700 0.145 0.000 1.270 3448 E HN 0.624 nan 8.360 nan 0.000 0.414 3449 F N 3.651 123.815 119.950 0.357 0.000 2.445 3449 F HA 0.184 4.712 4.527 0.001 0.000 0.359 3449 F C -0.037 175.876 175.800 0.189 0.000 1.101 3449 F CA 0.205 58.358 58.000 0.255 0.000 1.177 3449 F CB 0.890 40.055 39.000 0.274 0.000 1.110 3449 F HN 0.451 nan 8.300 nan 0.000 0.522 3450 Q N 6.989 126.631 119.800 -0.263 0.000 2.932 3450 Q HA 0.270 4.611 4.340 0.002 0.000 0.248 3450 Q C -2.150 173.712 176.000 -0.231 0.000 0.982 3450 Q CA -0.510 55.213 55.803 -0.134 0.000 0.730 3450 Q CB 0.700 29.423 28.738 -0.025 0.000 1.249 3450 Q HN 0.807 nan 8.270 nan 0.000 0.476 3451 Y N 0.345 120.388 120.300 -0.429 0.000 2.656 3451 Y HA 0.478 5.029 4.550 0.002 0.000 0.334 3451 Y C -1.858 174.027 175.900 -0.024 0.000 1.179 3451 Y CA -1.045 56.877 58.100 -0.296 0.000 1.050 3451 Y CB 1.618 39.769 38.460 -0.515 0.000 1.308 3451 Y HN 0.399 nan 8.280 nan 0.000 0.456 3452 R N 5.433 125.588 120.500 -0.575 0.000 2.358 3452 R HA 0.458 4.799 4.340 0.002 0.000 0.309 3452 R C -2.872 173.249 176.300 -0.297 0.000 1.026 3452 R CA -2.089 53.835 56.100 -0.293 0.000 0.909 3452 R CB 0.987 31.098 30.300 -0.316 0.000 1.153 3452 R HN 0.412 nan 8.270 nan 0.000 0.515 3453 P HA -0.043 nan 4.420 nan 0.000 0.267 3453 P C 0.182 177.299 177.300 -0.304 0.000 1.200 3453 P CA 0.130 63.236 63.100 0.009 0.000 0.772 3453 P CB 1.297 32.986 31.700 -0.018 0.000 0.855 3454 S N 0.739 116.110 115.700 -0.548 0.000 2.607 3454 S HA 0.003 4.474 4.470 0.002 0.000 0.224 3454 S C 0.826 174.980 174.600 -0.743 0.000 0.969 3454 S CA 0.099 57.910 58.200 -0.649 0.000 0.927 3454 S CB -1.085 61.686 63.200 -0.714 0.000 0.772 3454 S HN 0.375 nan 8.310 nan 0.000 0.533 3455 F N 1.685 121.414 119.950 -0.369 0.000 2.641 3455 F HA 0.427 4.955 4.527 0.002 0.000 0.302 3455 F C 1.145 176.718 175.800 -0.379 0.000 1.098 3455 F CA -0.707 57.053 58.000 -0.402 0.000 1.318 3455 F CB -0.200 38.442 39.000 -0.596 0.000 1.035 3455 F HN 0.037 nan 8.300 nan 0.000 0.551 3456 S N 0.060 115.625 115.700 -0.225 0.000 2.589 3456 S HA 0.090 4.561 4.470 0.002 0.000 0.265 3456 S C 0.572 175.116 174.600 -0.093 0.000 1.342 3456 S CA -0.548 57.574 58.200 -0.130 0.000 1.005 3456 S CB 0.889 63.986 63.200 -0.172 0.000 0.909 3456 S HN 0.287 nan 8.310 nan 0.000 0.555 3457 S N 0.179 115.828 115.700 -0.084 0.000 2.579 3457 S HA 0.036 4.507 4.470 0.002 0.000 0.275 3457 S C 0.687 175.162 174.600 -0.208 0.000 1.345 3457 S CA -0.596 57.553 58.200 -0.087 0.000 1.031 3457 S CB 0.151 63.348 63.200 -0.005 0.000 0.892 3457 S HN 0.625 nan 8.310 nan 0.000 0.529 3458 D N 3.196 123.523 120.400 -0.122 0.000 2.348 3458 D HA -0.040 4.601 4.640 0.002 0.000 0.216 3458 D C 1.279 177.479 176.300 -0.167 0.000 0.970 3458 D CA 0.941 54.863 54.000 -0.130 0.000 0.889 3458 D CB -0.008 40.753 40.800 -0.065 0.000 0.912 3458 D HN 0.624 nan 8.370 nan 0.000 0.524 3459 M N 0.219 119.702 119.600 -0.195 0.000 2.495 3459 M HA 0.056 4.537 4.480 0.002 0.000 0.237 3459 M C 0.905 176.877 176.300 -0.546 0.000 1.131 3459 M CA 0.153 55.354 55.300 -0.165 0.000 1.032 3459 M CB 0.277 32.965 32.600 0.146 0.000 1.513 3459 M HN -0.238 nan 8.290 nan 0.000 0.488 3460 K N 3.397 123.216 120.400 -0.967 0.000 2.211 3460 K HA 0.304 4.625 4.320 0.002 0.000 0.275 3460 K C -2.336 173.904 176.600 -0.600 0.000 1.024 3460 K CA -1.739 53.743 56.287 -1.342 0.000 0.887 3460 K CB 1.132 32.752 32.500 -1.467 0.000 1.084 3460 K HN -0.123 nan 8.250 nan 0.000 0.463 3461 P HA 0.002 nan 4.420 nan 0.000 0.268 3461 P C -0.667 176.519 177.300 -0.191 0.000 1.205 3461 P CA 0.044 63.016 63.100 -0.213 0.000 0.771 3461 P CB 0.755 32.387 31.700 -0.113 0.000 0.858 3462 K N 0.714 121.021 120.400 -0.154 0.000 2.574 3462 K HA -0.050 4.271 4.320 0.002 0.000 0.193 3462 K C 1.492 178.026 176.600 -0.110 0.000 1.035 3462 K CA 1.393 57.595 56.287 -0.142 0.000 0.982 3462 K CB -0.465 31.958 32.500 -0.129 0.000 0.795 3462 K HN 0.614 nan 8.250 nan 0.000 0.491 3463 T N -2.290 112.215 114.554 -0.082 0.000 3.100 3463 T HA 0.063 4.414 4.350 0.002 0.000 0.253 3463 T C 0.728 175.411 174.700 -0.028 0.000 1.118 3463 T CA -0.204 61.867 62.100 -0.048 0.000 1.058 3463 T CB 0.019 68.873 68.868 -0.023 0.000 0.953 3463 T HN -0.205 nan 8.240 nan 0.000 0.515 3464 V N 2.959 122.851 119.914 -0.037 0.000 2.389 3464 V HA 0.418 4.539 4.120 0.002 0.000 0.264 3464 V C -0.068 176.026 176.094 -0.000 0.000 1.049 3464 V CA -0.710 61.595 62.300 0.008 0.000 0.932 3464 V CB 0.217 32.058 31.823 0.029 0.000 1.011 3464 V HN 0.450 nan 8.190 nan 0.000 0.475 3465 I N 3.873 124.457 120.570 0.024 0.000 2.418 3465 I HA 0.632 4.803 4.170 0.002 0.000 0.287 3465 I C 0.933 177.106 176.117 0.093 0.000 1.008 3465 I CA -0.522 60.788 61.300 0.016 0.000 1.104 3465 I CB 1.685 39.667 38.000 -0.030 0.000 1.264 3465 I HN 0.784 nan 8.210 nan 0.000 0.438 3466 G N 3.654 112.555 108.800 0.168 0.000 2.204 3466 G HA2 -0.227 3.734 3.960 0.002 0.000 0.244 3466 G HA3 -0.227 3.734 3.960 0.002 0.000 0.244 3466 G C -0.274 174.777 174.900 0.252 0.000 1.062 3466 G CA -0.107 45.159 45.100 0.277 0.000 0.798 3466 G HN 0.731 nan 8.290 nan 0.000 0.496 3467 D N -0.707 119.839 120.400 0.243 0.000 2.360 3467 D HA 0.359 5.000 4.640 0.002 0.000 0.242 3467 D C 0.909 177.362 176.300 0.256 0.000 1.184 3467 D CA -0.406 53.743 54.000 0.247 0.000 0.930 3467 D CB 0.347 41.315 40.800 0.279 0.000 1.161 3467 D HN 0.332 nan 8.370 nan 0.000 0.447 3468 H N -0.013 119.134 119.070 0.128 0.000 3.125 3468 H HA 0.283 4.840 4.556 0.002 0.000 0.310 3468 H C 1.372 176.793 175.328 0.155 0.000 0.980 3468 H CA 1.804 57.899 56.048 0.077 0.000 1.422 3468 H CB 0.028 29.829 29.762 0.066 0.000 1.432 3468 H HN 0.598 nan 8.280 nan 0.000 0.577 3469 G N 4.247 112.852 108.800 -0.325 0.000 2.179 3469 G HA2 -0.330 3.631 3.960 0.002 0.000 0.260 3469 G HA3 -0.330 3.631 3.960 0.002 0.000 0.260 3469 G C 1.212 175.992 174.900 -0.200 0.000 0.977 3469 G CA 0.499 45.318 45.100 -0.469 0.000 0.641 3469 G HN 0.647 nan 8.290 nan 0.000 0.533 3470 D N 0.855 121.294 120.400 0.066 0.000 2.218 3470 D HA -0.047 4.594 4.640 0.002 0.000 0.204 3470 D C 2.450 178.774 176.300 0.039 0.000 0.976 3470 D CA 1.343 55.516 54.000 0.289 0.000 0.853 3470 D CB -0.062 40.996 40.800 0.430 0.000 0.939 3470 D HN 0.730 nan 8.370 nan 0.000 0.481 3471 E N 1.335 121.198 120.200 -0.562 0.000 2.150 3471 E HA -0.153 4.198 4.350 0.002 0.000 0.193 3471 E C 2.249 178.536 176.600 -0.522 0.000 0.985 3471 E CA 0.360 56.048 56.400 -1.187 0.000 0.814 3471 E CB -0.799 28.233 29.700 -1.114 0.000 0.752 3471 E HN 0.317 nan 8.360 nan 0.000 0.466 3472 L N -0.149 120.858 121.223 -0.361 0.000 2.197 3472 L HA -0.186 4.155 4.340 0.002 0.000 0.215 3472 L C 2.479 179.154 176.870 -0.324 0.000 1.095 3472 L CA 1.498 56.149 54.840 -0.315 0.000 0.764 3472 L CB -0.616 41.151 42.059 -0.487 0.000 0.897 3472 L HN 0.037 nan 8.230 nan 0.000 0.436 3473 F N -1.053 118.822 119.950 -0.125 0.000 2.367 3473 F HA -0.116 4.411 4.527 0.001 0.000 0.298 3473 F C 2.581 178.322 175.800 -0.098 0.000 1.094 3473 F CA 1.007 58.951 58.000 -0.094 0.000 1.409 3473 F CB -0.297 38.730 39.000 0.045 0.000 1.064 3473 F HN -0.048 nan 8.300 nan 0.000 0.528 3474 S N -0.312 115.396 115.700 0.012 0.000 2.388 3474 S HA -0.073 4.398 4.470 0.002 0.000 0.223 3474 S C 2.266 176.700 174.600 -0.277 0.000 1.034 3474 S CA 0.786 58.936 58.200 -0.083 0.000 0.963 3474 S CB -0.385 62.779 63.200 -0.060 0.000 0.827 3474 S HN 0.090 nan 8.310 nan 0.000 0.481 3475 V N 0.892 120.523 119.914 -0.472 0.000 2.332 3475 V HA -0.139 3.982 4.120 0.002 0.000 0.248 3475 V C 1.254 176.917 176.094 -0.717 0.000 1.055 3475 V CA 1.642 63.489 62.300 -0.755 0.000 1.038 3475 V CB -0.703 30.623 31.823 -0.828 0.000 0.651 3475 V HN 0.467 nan 8.190 nan 0.000 0.450 3476 F N 0.367 120.124 119.950 -0.322 0.000 2.668 3476 F HA 0.497 5.025 4.527 0.001 0.000 0.297 3476 F C 1.617 177.311 175.800 -0.177 0.000 1.124 3476 F CA 0.311 58.148 58.000 -0.272 0.000 1.353 3476 F CB -0.266 38.524 39.000 -0.349 0.000 0.992 3476 F HN 0.215 nan 8.300 nan 0.000 0.524 3477 G N 1.001 109.790 108.800 -0.018 0.000 2.395 3477 G HA2 -0.313 3.647 3.960 0.002 0.000 0.300 3477 G HA3 -0.313 3.647 3.960 0.002 0.000 0.300 3477 G C 1.309 176.266 174.900 0.096 0.000 0.998 3477 G CA 0.381 45.564 45.100 0.139 0.000 1.046 3477 G HN 0.602 nan 8.290 nan 0.000 0.513 3478 A N 0.285 123.071 122.820 -0.056 0.000 1.948 3478 A HA 0.040 4.361 4.320 0.002 0.000 0.220 3478 A C 0.695 178.127 177.584 -0.253 0.000 1.177 3478 A CA 2.151 54.030 52.037 -0.264 0.000 0.636 3478 A CB -0.861 17.807 19.000 -0.553 0.000 0.815 3478 A HN 0.488 nan 8.150 nan 0.000 0.449 3479 P HA -0.136 nan 4.420 nan 0.000 0.222 3479 P C 0.436 177.485 177.300 -0.418 0.000 1.142 3479 P CA 0.988 63.973 63.100 -0.192 0.000 0.788 3479 P CB -0.165 31.271 31.700 -0.439 0.000 0.767 3480 F N -2.672 117.308 119.950 0.051 0.000 2.664 3480 F HA 0.254 4.782 4.527 0.002 0.000 0.303 3480 F C 1.620 177.462 175.800 0.070 0.000 1.092 3480 F CA 0.230 58.281 58.000 0.085 0.000 1.305 3480 F CB -0.041 39.025 39.000 0.109 0.000 1.054 3480 F HN -0.174 nan 8.300 nan 0.000 0.565 3481 L N -1.800 119.495 121.223 0.121 0.000 2.953 3481 L HA 0.232 4.573 4.340 0.002 0.000 0.258 3481 L C 0.990 177.891 176.870 0.051 0.000 1.100 3481 L CA 0.172 55.060 54.840 0.081 0.000 0.971 3481 L CB 0.382 42.461 42.059 0.032 0.000 1.474 3481 L HN -0.153 nan 8.230 nan 0.000 0.540 3482 K N 0.389 120.811 120.400 0.038 0.000 2.512 3482 K HA 0.534 4.855 4.320 0.002 0.000 0.272 3482 K C -0.625 176.074 176.600 0.165 0.000 1.033 3482 K CA -0.628 55.722 56.287 0.105 0.000 1.096 3482 K CB 0.999 33.574 32.500 0.124 0.000 1.498 3482 K HN -0.116 nan 8.250 nan 0.000 0.629 3483 E N -1.634 118.694 120.200 0.213 0.000 2.393 3483 E HA 0.369 4.720 4.350 0.002 0.000 0.273 3483 E C -0.364 176.280 176.600 0.075 0.000 0.918 3483 E CA -0.384 56.090 56.400 0.124 0.000 0.773 3483 E CB 1.948 31.692 29.700 0.074 0.000 1.275 3483 E HN 0.767 nan 8.360 nan 0.000 0.451 3484 G N 0.480 109.280 108.800 -0.000 0.000 2.175 3484 G HA2 -0.282 3.679 3.960 0.002 0.000 0.244 3484 G HA3 -0.282 3.679 3.960 0.002 0.000 0.244 3484 G C 0.287 175.097 174.900 -0.151 0.000 0.982 3484 G CA -0.079 44.971 45.100 -0.082 0.000 0.641 3484 G HN 0.739 nan 8.290 nan 0.000 0.527 3485 A N 0.978 123.731 122.820 -0.113 0.000 2.484 3485 A HA 0.635 4.956 4.320 0.002 0.000 0.268 3485 A C 1.106 178.634 177.584 -0.093 0.000 1.114 3485 A CA 1.032 52.987 52.037 -0.137 0.000 0.780 3485 A CB 0.054 19.059 19.000 0.009 0.000 1.061 3485 A HN 2.014 nan 8.150 nan 0.000 0.505 3486 S N 1.833 117.478 115.700 -0.091 0.000 2.584 3486 S HA 0.113 4.584 4.470 0.002 0.000 0.270 3486 S C 0.986 175.564 174.600 -0.038 0.000 1.346 3486 S CA 0.417 58.585 58.200 -0.053 0.000 1.018 3486 S CB 0.848 64.024 63.200 -0.039 0.000 0.899 3486 S HN 0.770 nan 8.310 nan 0.000 0.542 3487 E N 0.827 121.013 120.200 -0.023 0.000 2.130 3487 E HA -0.232 4.119 4.350 0.002 0.000 0.196 3487 E C 1.811 178.404 176.600 -0.012 0.000 0.998 3487 E CA 1.964 58.357 56.400 -0.013 0.000 0.806 3487 E CB -0.383 29.319 29.700 0.002 0.000 0.738 3487 E HN 0.830 nan 8.360 nan 0.000 0.459 3488 E N 0.103 120.302 120.200 -0.002 0.000 2.118 3488 E HA -0.253 4.098 4.350 0.002 0.000 0.195 3488 E C 1.938 178.523 176.600 -0.024 0.000 0.992 3488 E CA 1.362 57.766 56.400 0.006 0.000 0.804 3488 E CB -0.079 29.647 29.700 0.043 0.000 0.741 3488 E HN 0.466 nan 8.360 nan 0.000 0.458 3489 E N 0.065 120.262 120.200 -0.005 0.000 2.112 3489 E HA -0.111 4.240 4.350 0.002 0.000 0.190 3489 E C 2.260 178.806 176.600 -0.090 0.000 0.979 3489 E CA 0.525 56.897 56.400 -0.047 0.000 0.814 3489 E CB 0.021 29.755 29.700 0.055 0.000 0.762 3489 E HN 0.296 nan 8.360 nan 0.000 0.460 3490 I N 0.681 121.193 120.570 -0.097 0.000 2.286 3490 I HA -0.261 3.910 4.170 0.002 0.000 0.248 3490 I C 2.782 178.878 176.117 -0.034 0.000 1.115 3490 I CA 0.963 62.159 61.300 -0.173 0.000 1.392 3490 I CB -0.284 37.612 38.000 -0.173 0.000 1.065 3490 I HN 0.083 nan 8.210 nan 0.000 0.418 3491 R N 1.112 121.603 120.500 -0.016 0.000 2.073 3491 R HA -0.206 4.134 4.340 0.002 0.000 0.234 3491 R C 2.399 178.683 176.300 -0.027 0.000 1.134 3491 R CA 1.471 57.576 56.100 0.008 0.000 0.952 3491 R CB -0.305 29.992 30.300 -0.004 0.000 0.850 3491 R HN 0.207 nan 8.270 nan 0.000 0.433 3492 L N 0.590 121.755 121.223 -0.097 0.000 2.042 3492 L HA -0.173 4.168 4.340 0.002 0.000 0.210 3492 L C 2.331 179.152 176.870 -0.081 0.000 1.076 3492 L CA 2.236 56.989 54.840 -0.145 0.000 0.749 3492 L CB -0.821 41.020 42.059 -0.364 0.000 0.893 3492 L HN 0.201 nan 8.230 nan 0.000 0.432 3493 S N -0.945 114.724 115.700 -0.053 0.000 2.356 3493 S HA -0.231 4.240 4.470 0.002 0.000 0.223 3493 S C 2.091 176.696 174.600 0.009 0.000 1.032 3493 S CA 1.567 59.761 58.200 -0.010 0.000 1.005 3493 S CB -0.217 63.010 63.200 0.044 0.000 0.867 3493 S HN 0.519 nan 8.310 nan 0.000 0.449 3494 K N 0.408 120.857 120.400 0.082 0.000 2.032 3494 K HA -0.162 4.159 4.320 0.002 0.000 0.209 3494 K C 2.325 178.898 176.600 -0.047 0.000 1.048 3494 K CA 1.855 58.163 56.287 0.035 0.000 0.927 3494 K CB -0.324 32.237 32.500 0.102 0.000 0.712 3494 K HN 0.489 nan 8.250 nan 0.000 0.441 3495 M N 0.870 120.430 119.600 -0.066 0.000 2.067 3495 M HA -0.188 4.293 4.480 0.002 0.000 0.260 3495 M C 1.996 178.231 176.300 -0.108 0.000 1.069 3495 M CA 1.587 56.794 55.300 -0.156 0.000 1.117 3495 M CB -0.036 32.498 32.600 -0.110 0.000 1.334 3495 M HN -0.061 nan 8.290 nan 0.000 0.407 3496 V N 1.275 121.174 119.914 -0.025 0.000 2.252 3496 V HA -0.359 3.762 4.120 0.002 0.000 0.249 3496 V C 2.465 178.490 176.094 -0.115 0.000 1.056 3496 V CA 2.457 64.719 62.300 -0.063 0.000 1.022 3496 V CB -0.803 30.828 31.823 -0.321 0.000 0.641 3496 V HN 0.595 nan 8.190 nan 0.000 0.445 3497 M N -1.096 118.399 119.600 -0.175 0.000 2.202 3497 M HA -0.176 4.305 4.480 0.002 0.000 0.262 3497 M C 2.326 178.652 176.300 0.043 0.000 1.063 3497 M CA 1.551 56.774 55.300 -0.128 0.000 1.097 3497 M CB -0.484 32.021 32.600 -0.158 0.000 1.382 3497 M HN 0.212 nan 8.290 nan 0.000 0.413 3498 K N 0.608 121.018 120.400 0.017 0.000 1.973 3498 K HA -0.075 4.246 4.320 0.002 0.000 0.212 3498 K C 1.787 178.491 176.600 0.174 0.000 1.047 3498 K CA 1.728 58.025 56.287 0.017 0.000 0.937 3498 K CB -0.860 31.554 32.500 -0.144 0.000 0.721 3498 K HN 0.309 nan 8.250 nan 0.000 0.440 3499 F N -0.069 120.025 119.950 0.240 0.000 2.063 3499 F HA -0.332 4.196 4.527 0.002 0.000 0.298 3499 F C 2.613 178.590 175.800 0.295 0.000 1.105 3499 F CA 1.060 59.248 58.000 0.313 0.000 1.215 3499 F CB -0.354 38.983 39.000 0.562 0.000 0.972 3499 F HN 0.290 nan 8.300 nan 0.000 0.483 3500 W N 0.157 121.560 121.300 0.171 0.000 2.329 3500 W HA -0.298 4.363 4.660 0.001 0.000 0.324 3500 W C 2.724 179.260 176.519 0.028 0.000 1.222 3500 W CA 1.073 58.437 57.345 0.031 0.000 1.270 3500 W CB -0.938 28.475 29.460 -0.079 0.000 1.167 3500 W HN 0.025 nan 8.180 nan 0.000 0.467 3501 A N 0.695 123.657 122.820 0.236 0.000 1.917 3501 A HA -0.273 4.048 4.320 0.002 0.000 0.219 3501 A C 1.687 179.319 177.584 0.079 0.000 1.182 3501 A CA 2.197 54.295 52.037 0.101 0.000 0.633 3501 A CB -1.113 17.930 19.000 0.072 0.000 0.819 3501 A HN 0.343 nan 8.150 nan 0.000 0.448 3502 N N -1.101 117.669 118.700 0.116 0.000 2.120 3502 N HA -0.137 4.604 4.740 0.002 0.000 0.188 3502 N C 1.405 176.934 175.510 0.032 0.000 1.024 3502 N CA 1.513 54.609 53.050 0.078 0.000 0.852 3502 N CB -0.630 37.931 38.487 0.123 0.000 1.003 3502 N HN 0.546 nan 8.380 nan 0.000 0.424 3503 F N 1.649 121.526 119.950 -0.121 0.000 2.134 3503 F HA -0.071 4.457 4.527 0.002 0.000 0.299 3503 F C 2.159 177.863 175.800 -0.160 0.000 1.097 3503 F CA 1.226 59.084 58.000 -0.238 0.000 1.264 3503 F CB -0.431 38.326 39.000 -0.405 0.000 1.001 3503 F HN 0.035 nan 8.300 nan 0.000 0.479 3504 A N 0.585 123.354 122.820 -0.086 0.000 1.877 3504 A HA -0.184 4.136 4.320 0.002 0.000 0.216 3504 A C 2.386 179.875 177.584 -0.159 0.000 1.186 3504 A CA 1.760 53.713 52.037 -0.140 0.000 0.620 3504 A CB -0.740 18.226 19.000 -0.057 0.000 0.822 3504 A HN 0.430 nan 8.150 nan 0.000 0.443 3505 R N -0.473 119.966 120.500 -0.101 0.000 2.070 3505 R HA -0.080 4.261 4.340 0.002 0.000 0.233 3505 R C 0.668 176.896 176.300 -0.119 0.000 1.137 3505 R CA 1.597 57.647 56.100 -0.083 0.000 0.945 3505 R CB -0.193 30.085 30.300 -0.037 0.000 0.845 3505 R HN 0.587 nan 8.270 nan 0.000 0.430 3506 N N -1.401 117.211 118.700 -0.146 0.000 2.177 3506 N HA 0.093 4.834 4.740 0.002 0.000 0.218 3506 N C 0.467 175.838 175.510 -0.230 0.000 1.182 3506 N CA 0.745 53.709 53.050 -0.144 0.000 0.882 3506 N CB 1.744 40.188 38.487 -0.072 0.000 1.052 3506 N HN 0.336 nan 8.380 nan 0.000 0.519 3507 G N 1.623 110.140 108.800 -0.472 0.000 2.198 3507 G HA2 -0.280 3.681 3.960 0.002 0.000 0.260 3507 G HA3 -0.280 3.681 3.960 0.002 0.000 0.260 3507 G C -0.192 174.468 174.900 -0.400 0.000 1.025 3507 G CA 0.301 44.953 45.100 -0.746 0.000 0.769 3507 G HN 0.482 nan 8.290 nan 0.000 0.507 3508 N N -0.730 117.813 118.700 -0.261 0.000 2.455 3508 N HA 0.366 5.107 4.740 0.002 0.000 0.285 3508 N C -1.685 173.733 175.510 -0.153 0.000 1.080 3508 N CA -1.247 51.698 53.050 -0.175 0.000 0.932 3508 N CB 2.282 40.747 38.487 -0.036 0.000 1.610 3508 N HN -0.067 nan 8.380 nan 0.000 0.493 3509 P HA -0.043 nan 4.420 nan 0.000 0.222 3509 P C -0.154 177.282 177.300 0.227 0.000 1.153 3509 P CA 0.490 63.520 63.100 -0.116 0.000 0.798 3509 P CB 0.331 31.630 31.700 -0.668 0.000 0.796 3510 N N 0.976 119.753 118.700 0.129 0.000 2.353 3510 N HA 0.226 4.967 4.740 0.002 0.000 0.248 3510 N C 0.829 176.462 175.510 0.205 0.000 1.240 3510 N CA 1.305 54.512 53.050 0.263 0.000 0.862 3510 N CB 0.207 38.833 38.487 0.232 0.000 1.086 3510 N HN 0.165 nan 8.380 nan 0.000 0.453 3511 G N 0.345 109.268 108.800 0.204 0.000 2.658 3511 G HA2 0.210 4.171 3.960 0.002 0.000 0.301 3511 G HA3 0.210 4.171 3.960 0.002 0.000 0.301 3511 G C -1.025 173.934 174.900 0.098 0.000 1.481 3511 G CA -0.818 44.353 45.100 0.119 0.000 0.931 3511 G HN 0.602 nan 8.290 nan 0.000 0.573 3512 E N 0.150 120.396 120.200 0.077 0.000 2.534 3512 E HA 0.360 4.711 4.350 0.002 0.000 0.264 3512 E C 1.210 177.831 176.600 0.035 0.000 0.981 3512 E CA 0.566 57.004 56.400 0.062 0.000 0.948 3512 E CB 0.743 30.472 29.700 0.047 0.000 0.934 3512 E HN 2.103 nan 8.360 nan 0.000 0.459 3513 G N 2.326 111.146 108.800 0.034 0.000 2.175 3513 G HA2 -0.237 3.724 3.960 0.002 0.000 0.244 3513 G HA3 -0.237 3.724 3.960 0.002 0.000 0.244 3513 G C -0.084 174.807 174.900 -0.015 0.000 0.982 3513 G CA 0.135 45.240 45.100 0.008 0.000 0.641 3513 G HN 0.430 nan 8.290 nan 0.000 0.527 3514 L N 0.481 121.706 121.223 0.003 0.000 2.370 3514 L HA 0.567 4.908 4.340 0.002 0.000 0.266 3514 L C -2.050 174.922 176.870 0.170 0.000 1.002 3514 L CA -2.419 52.402 54.840 -0.031 0.000 0.818 3514 L CB 1.941 43.825 42.059 -0.293 0.000 1.325 3514 L HN -0.142 nan 8.230 nan 0.000 0.418 3515 P HA -0.033 nan 4.420 nan 0.000 0.269 3515 P C -0.997 176.554 177.300 0.417 0.000 1.211 3515 P CA -0.063 63.213 63.100 0.294 0.000 0.781 3515 P CB 0.257 32.115 31.700 0.262 0.000 0.877 3516 H N 1.066 120.279 119.070 0.238 0.000 2.646 3516 H HA 0.231 4.788 4.556 0.001 0.000 0.325 3516 H C -1.110 174.396 175.328 0.297 0.000 1.075 3516 H CA -0.129 56.078 56.048 0.265 0.000 1.421 3516 H CB 0.267 30.138 29.762 0.182 0.000 1.461 3516 H HN 0.350 nan 8.280 nan 0.000 0.525 3517 W N 9.825 130.843 121.300 -0.470 0.000 2.296 3517 W HA 0.306 4.967 4.660 0.001 0.000 0.316 3517 W C -2.783 173.507 176.519 -0.381 0.000 1.022 3517 W CA -3.143 53.998 57.345 -0.340 0.000 1.324 3517 W CB 0.878 30.152 29.460 -0.310 0.000 1.227 3517 W HN 0.578 nan 8.180 nan 0.000 0.409 3518 P HA 0.022 nan 4.420 nan 0.000 0.271 3518 P C -0.309 177.196 177.300 0.340 0.000 1.218 3518 P CA 0.175 63.404 63.100 0.216 0.000 0.780 3518 P CB 1.376 33.199 31.700 0.205 0.000 0.901 3519 E N 1.938 122.225 120.200 0.145 0.000 2.373 3519 E HA -0.030 4.321 4.350 0.002 0.000 0.267 3519 E C -0.939 175.605 176.600 -0.093 0.000 1.032 3519 E CA -0.532 55.726 56.400 -0.237 0.000 0.889 3519 E CB 0.205 29.767 29.700 -0.230 0.000 0.984 3519 E HN 0.374 nan 8.360 nan 0.000 0.425 3520 Y N 5.914 126.045 120.300 -0.283 0.000 2.530 3520 Y HA 0.068 4.619 4.550 0.001 0.000 0.340 3520 Y C -0.273 175.590 175.900 -0.062 0.000 1.247 3520 Y CA -0.207 57.851 58.100 -0.071 0.000 1.727 3520 Y CB -0.614 37.826 38.460 -0.033 0.000 1.613 3520 Y HN 0.544 nan 8.280 nan 0.000 0.464 3521 N N 0.391 118.943 118.700 -0.248 0.000 2.948 3521 N HA 0.103 4.843 4.740 0.002 0.000 0.323 3521 N C 0.757 176.097 175.510 -0.284 0.000 1.374 3521 N CA -0.261 52.676 53.050 -0.188 0.000 0.765 3521 N CB 0.161 38.593 38.487 -0.092 0.000 1.152 3521 N HN 0.241 nan 8.380 nan 0.000 0.528 3522 Q N -0.623 119.084 119.800 -0.156 0.000 2.224 3522 Q HA 0.019 4.360 4.340 0.002 0.000 0.203 3522 Q C 1.076 176.993 176.000 -0.139 0.000 0.970 3522 Q CA 1.206 56.930 55.803 -0.132 0.000 0.865 3522 Q CB -0.323 28.377 28.738 -0.062 0.000 0.922 3522 Q HN 0.480 nan 8.270 nan 0.000 0.445 3523 K N 1.075 121.402 120.400 -0.122 0.000 2.504 3523 K HA -0.040 4.281 4.320 0.002 0.000 0.195 3523 K C -0.084 176.448 176.600 -0.113 0.000 1.036 3523 K CA 0.101 56.341 56.287 -0.079 0.000 0.984 3523 K CB 0.068 32.546 32.500 -0.036 0.000 0.788 3523 K HN 0.232 nan 8.250 nan 0.000 0.488 3524 E N -0.400 119.622 120.200 -0.296 0.000 2.252 3524 E HA -0.182 4.169 4.350 0.002 0.000 0.218 3524 E C -0.030 176.562 176.600 -0.014 0.000 1.253 3524 E CA 0.337 56.455 56.400 -0.470 0.000 0.705 3524 E CB -1.892 27.671 29.700 -0.228 0.000 1.172 3524 E HN 0.438 nan 8.360 nan 0.000 0.369 3525 G N 0.928 109.742 108.800 0.023 0.000 2.390 3525 G HA2 0.433 4.394 3.960 0.002 0.000 0.270 3525 G HA3 0.433 4.394 3.960 0.002 0.000 0.270 3525 G C -0.337 174.777 174.900 0.356 0.000 1.211 3525 G CA -0.209 44.978 45.100 0.146 0.000 0.842 3525 G HN 0.299 nan 8.290 nan 0.000 0.519 3526 Y N 0.627 121.046 120.300 0.197 0.000 2.669 3526 Y HA 0.780 5.331 4.550 0.001 0.000 0.335 3526 Y C -1.336 174.532 175.900 -0.053 0.000 1.116 3526 Y CA -1.977 56.243 58.100 0.199 0.000 1.081 3526 Y CB 1.710 40.286 38.460 0.193 0.000 1.297 3526 Y HN 0.525 nan 8.280 nan 0.000 0.484 3527 L N 2.109 123.192 121.223 -0.233 0.000 2.329 3527 L HA 0.490 4.831 4.340 0.002 0.000 0.279 3527 L C -1.069 175.686 176.870 -0.190 0.000 1.014 3527 L CA -0.664 53.819 54.840 -0.596 0.000 0.814 3527 L CB 1.940 43.053 42.059 -1.576 0.000 1.257 3527 L HN 0.786 nan 8.230 nan 0.000 0.424 3528 Q N 5.894 125.598 119.800 -0.161 0.000 2.368 3528 Q HA 0.475 4.816 4.340 0.002 0.000 0.256 3528 Q C -0.918 175.047 176.000 -0.057 0.000 0.980 3528 Q CA -0.272 55.543 55.803 0.021 0.000 0.887 3528 Q CB 1.700 30.455 28.738 0.028 0.000 1.221 3528 Q HN 0.585 nan 8.270 nan 0.000 0.458 3529 I N 1.643 122.199 120.570 -0.023 0.000 2.440 3529 I HA 0.651 4.822 4.170 0.002 0.000 0.294 3529 I C 0.784 176.788 176.117 -0.187 0.000 0.995 3529 I CA 0.004 61.264 61.300 -0.065 0.000 1.306 3529 I CB 1.420 39.443 38.000 0.038 0.000 1.407 3529 I HN 0.825 nan 8.210 nan 0.000 0.501 3530 G N 2.969 111.651 108.800 -0.196 0.000 2.404 3530 G HA2 0.261 4.222 3.960 0.002 0.000 0.253 3530 G HA3 0.261 4.222 3.960 0.002 0.000 0.253 3530 G C 0.199 175.032 174.900 -0.112 0.000 1.253 3530 G CA 0.038 45.003 45.100 -0.225 0.000 0.917 3530 G HN 0.601 nan 8.290 nan 0.000 0.480 3531 A N -0.583 122.252 122.820 0.026 0.000 1.902 3531 A HA 0.180 4.500 4.320 0.002 0.000 0.217 3531 A C 0.961 178.548 177.584 0.005 0.000 1.181 3531 A CA 1.604 53.669 52.037 0.047 0.000 0.623 3531 A CB -0.350 18.711 19.000 0.102 0.000 0.818 3531 A HN 0.469 nan 8.150 nan 0.000 0.443 3532 N N 0.774 119.473 118.700 -0.001 0.000 2.518 3532 N HA 0.275 5.016 4.740 0.002 0.000 0.254 3532 N C -1.418 174.084 175.510 -0.013 0.000 0.979 3532 N CA 0.046 53.094 53.050 -0.003 0.000 0.930 3532 N CB 1.395 39.883 38.487 0.001 0.000 1.152 3532 N HN 0.091 nan 8.380 nan 0.000 0.505 3533 T N 3.191 117.742 114.554 -0.004 0.000 2.744 3533 T HA 0.344 4.695 4.350 0.002 0.000 0.291 3533 T C 0.228 174.925 174.700 -0.005 0.000 0.957 3533 T CA -0.546 61.550 62.100 -0.007 0.000 1.002 3533 T CB 0.910 69.804 68.868 0.043 0.000 0.919 3533 T HN 0.438 nan 8.240 nan 0.000 0.468 3534 Q N 1.625 121.394 119.800 -0.052 0.000 2.630 3534 Q HA 0.700 5.041 4.340 0.002 0.000 0.295 3534 Q C -1.579 174.334 176.000 -0.144 0.000 0.944 3534 Q CA -1.203 54.567 55.803 -0.056 0.000 0.766 3534 Q CB 1.565 30.283 28.738 -0.033 0.000 1.471 3534 Q HN 0.569 nan 8.270 nan 0.000 0.416 3535 A N 0.358 123.101 122.820 -0.128 0.000 2.271 3535 A HA 0.939 5.259 4.320 0.002 0.000 0.288 3535 A C -0.376 177.039 177.584 -0.283 0.000 1.094 3535 A CA 0.421 52.326 52.037 -0.220 0.000 0.828 3535 A CB 0.676 19.622 19.000 -0.089 0.000 1.091 3535 A HN 1.227 nan 8.150 nan 0.000 0.493 3536 A N -0.358 122.176 122.820 -0.477 0.000 2.593 3536 A HA 0.766 5.087 4.320 0.002 0.000 0.304 3536 A C -1.047 176.339 177.584 -0.329 0.000 1.233 3536 A CA -0.530 51.247 52.037 -0.433 0.000 0.661 3536 A CB 0.820 19.469 19.000 -0.584 0.000 1.338 3536 A HN 0.837 nan 8.150 nan 0.000 0.495 3537 Q N -0.496 119.259 119.800 -0.074 0.000 2.462 3537 Q HA 0.538 4.879 4.340 0.002 0.000 0.285 3537 Q C -1.584 174.591 176.000 0.292 0.000 1.035 3537 Q CA -1.029 54.855 55.803 0.135 0.000 0.799 3537 Q CB 2.085 30.859 28.738 0.059 0.000 1.452 3537 Q HN 0.624 nan 8.270 nan 0.000 0.404 3538 K N 1.003 121.566 120.400 0.272 0.000 3.974 3538 K HA -0.212 4.109 4.320 0.002 0.000 0.280 3538 K C -0.777 175.956 176.600 0.221 0.000 0.949 3538 K CA 0.007 56.422 56.287 0.212 0.000 0.817 3538 K CB -1.280 31.298 32.500 0.129 0.000 1.535 3538 K HN 0.430 nan 8.250 nan 0.000 0.444 3539 L N 2.028 123.360 121.223 0.181 0.000 2.410 3539 L HA 0.059 4.400 4.340 0.002 0.000 0.273 3539 L C 0.707 177.566 176.870 -0.018 0.000 1.152 3539 L CA 0.515 55.288 54.840 -0.113 0.000 0.855 3539 L CB 0.465 42.139 42.059 -0.643 0.000 1.129 3539 L HN 0.347 nan 8.230 nan 0.000 0.463 3540 K N 2.577 122.979 120.400 0.003 0.000 3.013 3540 K HA -0.311 4.010 4.320 0.002 0.000 0.275 3540 K C 1.071 177.727 176.600 0.094 0.000 1.086 3540 K CA 1.263 57.585 56.287 0.058 0.000 0.814 3540 K CB -1.554 30.978 32.500 0.053 0.000 1.212 3540 K HN 0.963 nan 8.250 nan 0.000 0.468 3541 D N 1.216 121.671 120.400 0.092 0.000 2.103 3541 D HA -0.202 4.439 4.640 0.002 0.000 0.190 3541 D C 1.725 178.083 176.300 0.097 0.000 0.997 3541 D CA 1.881 55.941 54.000 0.100 0.000 0.833 3541 D CB 0.163 41.020 40.800 0.094 0.000 0.961 3541 D HN 0.547 nan 8.370 nan 0.000 0.447 3542 K N 0.304 120.750 120.400 0.076 0.000 2.057 3542 K HA -0.199 4.122 4.320 0.002 0.000 0.207 3542 K C 2.057 178.715 176.600 0.097 0.000 1.049 3542 K CA 1.376 57.698 56.287 0.058 0.000 0.931 3542 K CB 0.025 32.532 32.500 0.011 0.000 0.714 3542 K HN -0.035 nan 8.250 nan 0.000 0.440 3543 E N 0.400 120.677 120.200 0.128 0.000 2.051 3543 E HA -0.153 4.198 4.350 0.002 0.000 0.192 3543 E C 1.952 178.777 176.600 0.376 0.000 0.991 3543 E CA 1.445 57.999 56.400 0.258 0.000 0.799 3543 E CB -0.197 29.677 29.700 0.291 0.000 0.748 3543 E HN 0.092 nan 8.360 nan 0.000 0.449 3544 V N 1.056 121.132 119.914 0.270 0.000 2.332 3544 V HA -0.316 3.805 4.120 0.002 0.000 0.248 3544 V C 2.222 178.449 176.094 0.222 0.000 1.055 3544 V CA 1.859 64.311 62.300 0.252 0.000 1.038 3544 V CB -1.008 30.914 31.823 0.165 0.000 0.651 3544 V HN 0.360 nan 8.190 nan 0.000 0.450 3545 A N -0.001 122.921 122.820 0.170 0.000 1.865 3545 A HA -0.279 4.042 4.320 0.002 0.000 0.217 3545 A C 2.131 179.779 177.584 0.107 0.000 1.191 3545 A CA 2.276 54.386 52.037 0.122 0.000 0.623 3545 A CB -0.830 18.228 19.000 0.097 0.000 0.826 3545 A HN 0.540 nan 8.150 nan 0.000 0.444 3546 F N -0.863 119.063 119.950 -0.041 0.000 2.069 3546 F HA -0.225 4.303 4.527 0.001 0.000 0.298 3546 F C 2.058 177.723 175.800 -0.224 0.000 1.113 3546 F CA 1.949 59.841 58.000 -0.180 0.000 1.214 3546 F CB -0.685 38.128 39.000 -0.311 0.000 0.978 3546 F HN 0.393 nan 8.300 nan 0.000 0.474 3547 W N 0.440 121.651 121.300 -0.149 0.000 2.374 3547 W HA -0.149 4.512 4.660 0.002 0.000 0.288 3547 W C 2.579 178.940 176.519 -0.263 0.000 1.218 3547 W CA 1.609 58.728 57.345 -0.376 0.000 1.245 3547 W CB -0.815 28.598 29.460 -0.080 0.000 1.126 3547 W HN -0.095 nan 8.180 nan 0.000 0.545 3548 T N 0.121 114.759 114.554 0.141 0.000 2.857 3548 T HA -0.160 4.191 4.350 0.002 0.000 0.266 3548 T C 1.470 176.196 174.700 0.043 0.000 1.048 3548 T CA 1.399 63.585 62.100 0.144 0.000 1.139 3548 T CB -0.343 68.599 68.868 0.122 0.000 0.874 3548 T HN 0.090 nan 8.240 nan 0.000 0.455 3549 N N 1.238 119.897 118.700 -0.069 0.000 2.171 3549 N HA 0.009 4.750 4.740 0.002 0.000 0.184 3549 N C 1.763 177.173 175.510 -0.167 0.000 1.021 3549 N CA 0.566 53.556 53.050 -0.099 0.000 0.854 3549 N CB -0.566 37.856 38.487 -0.108 0.000 0.994 3549 N HN 0.211 nan 8.380 nan 0.000 0.426 3550 L N 0.537 121.529 121.223 -0.385 0.000 1.976 3550 L HA 0.009 4.350 4.340 0.002 0.000 0.209 3550 L C 1.937 178.725 176.870 -0.137 0.000 1.071 3550 L CA 1.501 56.083 54.840 -0.430 0.000 0.746 3550 L CB -0.978 40.528 42.059 -0.922 0.000 0.890 3550 L HN 0.057 nan 8.230 nan 0.000 0.432 3551 F N -0.443 119.485 119.950 -0.036 0.000 2.250 3551 F HA -0.245 4.283 4.527 0.001 0.000 0.301 3551 F C 2.417 178.216 175.800 -0.001 0.000 1.077 3551 F CA 0.407 58.419 58.000 0.020 0.000 1.348 3551 F CB -0.441 38.589 39.000 0.049 0.000 1.040 3551 F HN 0.291 nan 8.300 nan 0.000 0.509 3552 A N 0.258 123.172 122.820 0.158 0.000 1.940 3552 A HA -0.167 4.154 4.320 0.002 0.000 0.219 3552 A C 1.352 178.975 177.584 0.065 0.000 1.176 3552 A CA 1.042 53.131 52.037 0.086 0.000 0.631 3552 A CB -0.500 18.526 19.000 0.043 0.000 0.814 3552 A HN 0.259 nan 8.150 nan 0.000 0.446 3553 K N 0.000 120.434 120.400 0.056 0.000 2.780 3553 K HA 0.000 4.321 4.320 0.002 0.000 0.191 3553 K CA 0.000 56.313 56.287 0.044 0.000 0.838 3553 K CB 0.000 32.514 32.500 0.024 0.000 1.064 3553 K HN 0.000 nan 8.250 nan 0.000 0.543