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 1ky4_1_D DATA FIRST_RESID 3004 DATA SEQUENCE LPYKVADIGL AAWGRKALDI AENEMPGLMR MREMYSASKP LKGARIAGCL DATA SEQUENCE HMTVETAVLI ETLVALGAEV RWSSCNIFST QDHAAAAIAK AGIPVFAWKG DATA SEQUENCE ETDEEYLWCI EQTLHFKDGP LNMILDDGGD LTNLIHTKHP QLLSGIRGIS DATA SEQUENCE EETTTGVHNL YKMMANGILK VPAINVNDSV TKSKFDNLYG CRESLIDGIK DATA SEQUENCE RATDVMIAGK VAVVAGYGDV GKGCAQALRG FGARVIITEI DPINALQAAM DATA SEQUENCE EGYEVTTMDE ACKEGNIFVT TTGCVDIILG RHFEQMKDDA IVCNIGHFDV DATA SEQUENCE EIDVKWLNEN AVEKVNIKPQ VDRYLLKNGH RIILLAEGRL VNLGCAMGHP DATA SEQUENCE SFVMSNSFTN QVMAQIELWT HPDKYPVGVH FLPKKLDEAV AEAHLGKLNV DATA SEQUENCE KLTKLTEKQA QYLGMPINGP FKPDHYRY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3004 L HA 0.000 nan 4.340 nan 0.000 0.249 3004 L C 0.000 176.922 176.870 0.087 0.000 1.165 3004 L CA 0.000 54.909 54.840 0.115 0.000 0.813 3004 L CB 0.000 42.247 42.059 0.313 0.000 0.961 3005 P HA 0.065 nan 4.420 nan 0.000 0.222 3005 P C -0.827 176.361 177.300 -0.185 0.000 1.157 3005 P CA 0.989 63.973 63.100 -0.194 0.000 0.816 3005 P CB 0.423 31.883 31.700 -0.400 0.000 0.813 3006 Y N -4.128 116.118 120.300 -0.089 0.000 2.851 3006 Y HA 0.692 5.243 4.550 0.002 0.000 0.359 3006 Y C -1.257 174.632 175.900 -0.018 0.000 1.231 3006 Y CA -2.089 55.744 58.100 -0.446 0.000 1.106 3006 Y CB 0.060 38.297 38.460 -0.373 0.000 1.409 3006 Y HN -0.428 nan 8.280 nan 0.000 0.454 3007 K N 1.996 122.650 120.400 0.424 0.000 2.705 3007 K HA 0.655 4.976 4.320 0.002 0.000 0.238 3007 K C -1.904 175.048 176.600 0.586 0.000 0.996 3007 K CA -0.318 56.355 56.287 0.644 0.000 1.007 3007 K CB 1.804 34.960 32.500 1.094 0.000 1.206 3007 K HN 0.682 nan 8.250 nan 0.000 0.488 3008 V N 1.914 122.048 119.914 0.366 0.000 2.815 3008 V HA 0.409 4.530 4.120 0.002 0.000 0.314 3008 V C 1.331 177.526 176.094 0.169 0.000 1.064 3008 V CA -0.352 62.104 62.300 0.261 0.000 0.952 3008 V CB 1.788 33.624 31.823 0.022 0.000 1.020 3008 V HN 0.775 nan 8.190 nan 0.000 0.439 3009 A N 1.929 124.869 122.820 0.201 0.000 1.858 3009 A HA -0.055 4.266 4.320 0.002 0.000 0.216 3009 A C 0.825 178.449 177.584 0.067 0.000 1.190 3009 A CA 2.177 54.272 52.037 0.096 0.000 0.617 3009 A CB -0.182 18.929 19.000 0.185 0.000 0.827 3009 A HN 0.856 nan 8.150 nan 0.000 0.443 3010 D N -2.371 118.086 120.400 0.095 0.000 2.478 3010 D HA 0.311 4.952 4.640 0.002 0.000 0.240 3010 D C -0.165 176.179 176.300 0.075 0.000 1.364 3010 D CA -0.562 53.489 54.000 0.084 0.000 0.987 3010 D CB 0.702 41.563 40.800 0.102 0.000 1.328 3010 D HN 0.010 nan 8.370 nan 0.000 0.584 3011 I N 2.861 123.462 120.570 0.051 0.000 3.291 3011 I HA 0.204 4.375 4.170 0.002 0.000 0.279 3011 I C 1.853 177.998 176.117 0.046 0.000 1.294 3011 I CA 0.832 62.139 61.300 0.012 0.000 1.428 3011 I CB 0.219 38.221 38.000 0.004 0.000 1.070 3011 I HN 0.562 nan 8.210 nan 0.000 0.478 3012 G N -0.059 108.785 108.800 0.073 0.000 2.679 3012 G HA2 -0.103 3.858 3.960 0.002 0.000 0.212 3012 G HA3 -0.103 3.858 3.960 0.002 0.000 0.212 3012 G C 1.271 176.246 174.900 0.125 0.000 1.137 3012 G CA 0.121 45.270 45.100 0.082 0.000 0.787 3012 G HN 0.297 nan 8.290 nan 0.000 0.534 3013 L N 0.841 122.161 121.223 0.161 0.000 2.418 3013 L HA 0.327 4.669 4.340 0.002 0.000 0.218 3013 L C 2.959 179.964 176.870 0.226 0.000 1.125 3013 L CA 0.577 55.589 54.840 0.286 0.000 0.835 3013 L CB -0.785 41.468 42.059 0.322 0.000 0.953 3013 L HN 0.244 nan 8.230 nan 0.000 0.454 3014 A N 0.354 123.234 122.820 0.099 0.000 1.896 3014 A HA -0.325 3.996 4.320 0.002 0.000 0.220 3014 A C 2.515 180.138 177.584 0.064 0.000 1.206 3014 A CA 2.385 54.440 52.037 0.030 0.000 0.647 3014 A CB -0.950 18.044 19.000 -0.009 0.000 0.828 3014 A HN 0.395 nan 8.150 nan 0.000 0.455 3015 A N -2.251 120.635 122.820 0.110 0.000 1.978 3015 A HA -0.168 4.153 4.320 0.002 0.000 0.220 3015 A C 1.922 179.632 177.584 0.209 0.000 1.170 3015 A CA 1.809 53.920 52.037 0.123 0.000 0.636 3015 A CB -0.762 18.305 19.000 0.111 0.000 0.810 3015 A HN 1.037 nan 8.150 nan 0.000 0.448 3016 W N 0.666 122.004 121.300 0.062 0.000 2.576 3016 W HA 0.182 4.844 4.660 0.002 0.000 0.270 3016 W C 1.888 178.522 176.519 0.191 0.000 1.255 3016 W CA 0.605 58.011 57.345 0.101 0.000 1.314 3016 W CB -0.614 28.898 29.460 0.086 0.000 1.101 3016 W HN 0.164 nan 8.180 nan 0.000 0.595 3017 G N 0.838 109.634 108.800 -0.006 0.000 2.394 3017 G HA2 -0.269 3.693 3.960 0.002 0.000 0.214 3017 G HA3 -0.269 3.693 3.960 0.002 0.000 0.214 3017 G C 1.571 176.357 174.900 -0.189 0.000 1.176 3017 G CA 1.017 45.932 45.100 -0.307 0.000 0.786 3017 G HN 0.193 nan 8.290 nan 0.000 0.533 3018 R N 1.224 121.677 120.500 -0.078 0.000 2.103 3018 R HA -0.083 4.259 4.340 0.002 0.000 0.242 3018 R C 2.481 178.771 176.300 -0.016 0.000 1.142 3018 R CA 1.519 57.588 56.100 -0.052 0.000 0.960 3018 R CB -0.286 30.005 30.300 -0.015 0.000 0.858 3018 R HN 0.221 nan 8.270 nan 0.000 0.439 3019 K N 0.219 120.645 120.400 0.044 0.000 2.009 3019 K HA -0.112 4.209 4.320 0.002 0.000 0.210 3019 K C 2.086 178.716 176.600 0.051 0.000 1.049 3019 K CA 1.623 57.958 56.287 0.080 0.000 0.929 3019 K CB -0.811 31.794 32.500 0.175 0.000 0.714 3019 K HN 0.305 nan 8.250 nan 0.000 0.440 3020 A N 2.414 125.250 122.820 0.026 0.000 1.851 3020 A HA -0.159 4.162 4.320 0.002 0.000 0.216 3020 A C 2.430 179.994 177.584 -0.034 0.000 1.195 3020 A CA 1.525 53.563 52.037 0.003 0.000 0.622 3020 A CB -0.869 18.098 19.000 -0.055 0.000 0.831 3020 A HN 0.191 nan 8.150 nan 0.000 0.444 3021 L N -0.364 120.805 121.223 -0.090 0.000 2.021 3021 L HA -0.265 4.076 4.340 0.002 0.000 0.215 3021 L C 1.866 178.713 176.870 -0.039 0.000 1.074 3021 L CA 2.090 56.880 54.840 -0.083 0.000 0.760 3021 L CB -1.154 40.838 42.059 -0.111 0.000 0.889 3021 L HN 0.368 nan 8.230 nan 0.000 0.433 3022 D N -0.469 119.917 120.400 -0.023 0.000 2.348 3022 D HA -0.038 4.604 4.640 0.002 0.000 0.216 3022 D C 2.110 178.415 176.300 0.007 0.000 0.970 3022 D CA 0.758 54.754 54.000 -0.007 0.000 0.889 3022 D CB 0.159 40.959 40.800 0.000 0.000 0.912 3022 D HN 0.389 nan 8.370 nan 0.000 0.524 3023 I N 0.188 120.767 120.570 0.015 0.000 2.628 3023 I HA -0.005 4.166 4.170 0.002 0.000 0.255 3023 I C 2.261 178.395 176.117 0.028 0.000 1.119 3023 I CA 0.350 61.667 61.300 0.028 0.000 1.448 3023 I CB -0.100 37.927 38.000 0.044 0.000 1.133 3023 I HN -0.081 nan 8.210 nan 0.000 0.438 3024 A N 0.914 123.746 122.820 0.021 0.000 1.933 3024 A HA -0.207 4.114 4.320 0.002 0.000 0.218 3024 A C 2.096 179.693 177.584 0.023 0.000 1.175 3024 A CA 1.519 53.572 52.037 0.027 0.000 0.628 3024 A CB -0.558 18.452 19.000 0.016 0.000 0.814 3024 A HN 0.421 nan 8.150 nan 0.000 0.444 3025 E N -0.043 120.160 120.200 0.006 0.000 2.097 3025 E HA -0.231 4.121 4.350 0.002 0.000 0.196 3025 E C 1.751 178.354 176.600 0.006 0.000 1.000 3025 E CA 1.399 57.797 56.400 -0.003 0.000 0.804 3025 E CB -0.345 29.347 29.700 -0.014 0.000 0.740 3025 E HN 0.726 nan 8.360 nan 0.000 0.454 3026 N N 0.168 118.878 118.700 0.017 0.000 2.364 3026 N HA -0.135 4.606 4.740 0.002 0.000 0.183 3026 N C 1.167 176.710 175.510 0.055 0.000 1.022 3026 N CA 0.427 53.493 53.050 0.026 0.000 0.883 3026 N CB 0.195 38.698 38.487 0.026 0.000 0.965 3026 N HN 0.100 nan 8.380 nan 0.000 0.438 3027 E N -0.123 120.120 120.200 0.072 0.000 2.481 3027 E HA 0.149 4.500 4.350 0.002 0.000 0.198 3027 E C -0.137 176.552 176.600 0.148 0.000 1.027 3027 E CA 0.160 56.647 56.400 0.146 0.000 0.900 3027 E CB 0.543 30.324 29.700 0.135 0.000 0.993 3027 E HN 0.365 nan 8.360 nan 0.000 0.482 3028 M N 0.899 120.520 119.600 0.034 0.000 2.488 3028 M HA 0.218 4.699 4.480 0.002 0.000 0.204 3028 M C -2.088 174.127 176.300 -0.142 0.000 0.969 3028 M CA -1.670 53.592 55.300 -0.064 0.000 0.720 3028 M CB 1.547 34.131 32.600 -0.028 0.000 1.427 3028 M HN -0.238 nan 8.290 nan 0.000 0.427 3029 P HA -0.095 nan 4.420 nan 0.000 0.217 3029 P C 1.571 178.629 177.300 -0.404 0.000 1.150 3029 P CA 1.317 64.244 63.100 -0.288 0.000 0.832 3029 P CB 0.132 31.665 31.700 -0.278 0.000 0.787 3030 G N 0.432 108.808 108.800 -0.706 0.000 2.514 3030 G HA2 -0.267 3.695 3.960 0.002 0.000 0.217 3030 G HA3 -0.267 3.695 3.960 0.002 0.000 0.217 3030 G C 1.501 176.316 174.900 -0.142 0.000 1.198 3030 G CA 0.874 45.714 45.100 -0.434 0.000 0.780 3030 G HN 0.229 nan 8.290 nan 0.000 0.565 3031 L N -0.097 121.072 121.223 -0.091 0.000 2.046 3031 L HA -0.097 4.245 4.340 0.002 0.000 0.208 3031 L C 3.108 179.961 176.870 -0.030 0.000 1.077 3031 L CA 0.837 55.663 54.840 -0.023 0.000 0.747 3031 L CB -0.404 41.655 42.059 -0.001 0.000 0.896 3031 L HN 0.160 nan 8.230 nan 0.000 0.432 3032 M N -0.662 118.901 119.600 -0.060 0.000 2.175 3032 M HA -0.179 4.302 4.480 0.002 0.000 0.264 3032 M C 2.323 178.599 176.300 -0.040 0.000 1.063 3032 M CA 1.554 56.826 55.300 -0.047 0.000 1.119 3032 M CB -1.226 31.340 32.600 -0.055 0.000 1.377 3032 M HN 0.188 nan 8.290 nan 0.000 0.415 3033 R N -0.504 119.960 120.500 -0.060 0.000 2.148 3033 R HA -0.072 4.269 4.340 0.002 0.000 0.223 3033 R C 2.048 178.352 176.300 0.005 0.000 1.088 3033 R CA 0.828 56.901 56.100 -0.045 0.000 0.985 3033 R CB 0.102 30.364 30.300 -0.063 0.000 0.880 3033 R HN 0.126 nan 8.270 nan 0.000 0.451 3034 M N 0.433 120.070 119.600 0.062 0.000 2.080 3034 M HA -0.156 4.326 4.480 0.002 0.000 0.260 3034 M C 1.977 178.398 176.300 0.202 0.000 1.068 3034 M CA 1.733 57.159 55.300 0.211 0.000 1.109 3034 M CB -0.720 31.968 32.600 0.145 0.000 1.342 3034 M HN 0.084 nan 8.290 nan 0.000 0.405 3035 R N -0.756 119.794 120.500 0.084 0.000 2.115 3035 R HA -0.127 4.214 4.340 0.002 0.000 0.230 3035 R C 2.152 178.460 176.300 0.014 0.000 1.111 3035 R CA 1.202 57.334 56.100 0.054 0.000 0.976 3035 R CB -0.347 29.962 30.300 0.015 0.000 0.870 3035 R HN 0.493 nan 8.270 nan 0.000 0.445 3036 E N 0.865 121.054 120.200 -0.019 0.000 2.085 3036 E HA -0.189 4.162 4.350 0.002 0.000 0.194 3036 E C 1.844 178.380 176.600 -0.108 0.000 0.994 3036 E CA 1.702 58.069 56.400 -0.054 0.000 0.801 3036 E CB 0.158 29.822 29.700 -0.060 0.000 0.743 3036 E HN 0.343 nan 8.360 nan 0.000 0.453 3037 M N -2.193 117.282 119.600 -0.209 0.000 2.461 3037 M HA 0.131 4.613 4.480 0.002 0.000 0.255 3037 M C 0.592 176.586 176.300 -0.511 0.000 1.137 3037 M CA 0.497 55.546 55.300 -0.418 0.000 1.086 3037 M CB 0.443 32.649 32.600 -0.657 0.000 1.356 3037 M HN 0.003 nan 8.290 nan 0.000 0.487 3038 Y N 0.648 120.954 120.300 0.010 0.000 2.430 3038 Y HA 0.232 4.783 4.550 0.002 0.000 0.254 3038 Y C 2.803 178.710 175.900 0.013 0.000 1.088 3038 Y CA 0.401 58.511 58.100 0.017 0.000 1.267 3038 Y CB -0.096 38.378 38.460 0.025 0.000 1.204 3038 Y HN 0.357 nan 8.280 nan 0.000 0.515 3039 S N 0.436 116.210 115.700 0.123 0.000 2.440 3039 S HA -0.213 4.259 4.470 0.002 0.000 0.238 3039 S C 1.988 176.621 174.600 0.055 0.000 1.010 3039 S CA 1.209 59.453 58.200 0.073 0.000 0.972 3039 S CB -0.298 62.924 63.200 0.036 0.000 0.774 3039 S HN 0.348 nan 8.310 nan 0.000 0.501 3040 A N 1.603 124.451 122.820 0.046 0.000 1.871 3040 A HA 0.183 4.504 4.320 0.002 0.000 0.211 3040 A C 2.399 180.016 177.584 0.054 0.000 1.207 3040 A CA 1.160 53.218 52.037 0.035 0.000 0.620 3040 A CB -0.924 18.084 19.000 0.013 0.000 0.860 3040 A HN 0.654 nan 8.150 nan 0.000 0.450 3041 S N 0.503 116.251 115.700 0.080 0.000 2.447 3041 S HA -0.029 4.442 4.470 0.002 0.000 0.233 3041 S C 0.431 175.098 174.600 0.113 0.000 1.006 3041 S CA 0.736 58.997 58.200 0.101 0.000 0.957 3041 S CB -0.267 63.021 63.200 0.148 0.000 0.773 3041 S HN 0.509 nan 8.310 nan 0.000 0.507 3042 K N 0.506 120.978 120.400 0.119 0.000 3.451 3042 K HA -0.132 4.189 4.320 0.002 0.000 0.273 3042 K C -2.146 174.525 176.600 0.118 0.000 0.944 3042 K CA 0.778 57.125 56.287 0.100 0.000 0.734 3042 K CB -1.709 30.835 32.500 0.073 0.000 1.437 3042 K HN 0.387 nan 8.250 nan 0.000 0.454 3043 P HA -0.182 nan 4.420 nan 0.000 0.217 3043 P C 1.180 178.620 177.300 0.233 0.000 1.148 3043 P CA 1.240 64.416 63.100 0.128 0.000 0.828 3043 P CB 0.084 31.792 31.700 0.015 0.000 0.783 3044 L N -1.196 120.102 121.223 0.124 0.000 2.627 3044 L HA 0.135 4.477 4.340 0.002 0.000 0.232 3044 L C 1.379 178.215 176.870 -0.058 0.000 1.150 3044 L CA -0.266 54.554 54.840 -0.033 0.000 0.917 3044 L CB -0.577 41.363 42.059 -0.199 0.000 1.104 3044 L HN -0.089 nan 8.230 nan 0.000 0.445 3045 K N 1.539 122.032 120.400 0.156 0.000 2.430 3045 K HA 0.091 4.412 4.320 0.002 0.000 0.280 3045 K C 0.998 177.757 176.600 0.264 0.000 1.063 3045 K CA 1.140 57.507 56.287 0.133 0.000 1.071 3045 K CB 0.288 32.869 32.500 0.135 0.000 0.899 3045 K HN 0.329 nan 8.250 nan 0.000 0.473 3046 G N 2.416 111.265 108.800 0.082 0.000 2.307 3046 G HA2 -0.236 3.725 3.960 0.002 0.000 0.210 3046 G HA3 -0.236 3.725 3.960 0.002 0.000 0.210 3046 G C 0.084 174.808 174.900 -0.293 0.000 1.005 3046 G CA -0.026 45.181 45.100 0.178 0.000 0.634 3046 G HN 0.908 nan 8.290 nan 0.000 0.496 3047 A N 0.527 122.689 122.820 -1.098 0.000 2.386 3047 A HA 0.730 5.051 4.320 0.002 0.000 0.248 3047 A C 0.588 177.716 177.584 -0.760 0.000 1.082 3047 A CA 0.263 51.377 52.037 -1.539 0.000 0.789 3047 A CB 0.273 18.099 19.000 -1.958 0.000 1.025 3047 A HN 0.471 nan 8.150 nan 0.000 0.490 3048 R N 1.756 121.808 120.500 -0.746 0.000 2.415 3048 R HA 0.321 4.663 4.340 0.002 0.000 0.292 3048 R C -1.494 174.451 176.300 -0.591 0.000 1.295 3048 R CA -0.214 55.329 56.100 -0.929 0.000 1.137 3048 R CB 0.843 30.080 30.300 -1.773 0.000 1.135 3048 R HN 0.667 nan 8.270 nan 0.000 0.560 3049 I N 2.154 122.614 120.570 -0.184 0.000 2.396 3049 I HA 0.141 4.312 4.170 0.002 0.000 0.289 3049 I C 0.591 176.795 176.117 0.144 0.000 1.056 3049 I CA 0.115 61.391 61.300 -0.041 0.000 1.365 3049 I CB 1.381 39.372 38.000 -0.016 0.000 1.407 3049 I HN 0.472 nan 8.210 nan 0.000 0.509 3050 A N 5.831 128.657 122.820 0.010 0.000 2.260 3050 A HA 0.706 5.027 4.320 0.002 0.000 0.312 3050 A C 0.323 177.676 177.584 -0.385 0.000 1.321 3050 A CA -0.350 51.636 52.037 -0.085 0.000 0.928 3050 A CB 0.071 19.018 19.000 -0.089 0.000 1.158 3050 A HN 0.798 nan 8.150 nan 0.000 0.542 3051 G N 0.038 108.382 108.800 -0.760 0.000 2.416 3051 G HA2 0.476 4.437 3.960 0.002 0.000 0.329 3051 G HA3 0.476 4.437 3.960 0.002 0.000 0.329 3051 G C -0.822 173.174 174.900 -1.507 0.000 1.173 3051 G CA -0.359 43.797 45.100 -1.573 0.000 0.929 3051 G HN 0.926 nan 8.290 nan 0.000 0.475 3052 C N 4.132 122.838 119.300 -0.991 0.000 2.521 3052 C HA 0.779 5.240 4.460 0.002 0.000 0.291 3052 C C -0.540 174.210 174.990 -0.400 0.000 1.074 3052 C CA -0.609 58.041 59.018 -0.612 0.000 1.495 3052 C CB -1.836 25.669 27.740 -0.391 0.000 1.862 3052 C HN 0.645 nan 8.230 nan 0.000 0.418 3053 L N 6.127 127.204 121.223 -0.243 0.000 2.513 3053 L HA 0.491 4.833 4.340 0.002 0.000 0.261 3053 L C -0.349 176.605 176.870 0.140 0.000 0.945 3053 L CA -0.487 54.355 54.840 0.004 0.000 0.848 3053 L CB 1.724 43.943 42.059 0.266 0.000 1.334 3053 L HN 0.634 nan 8.230 nan 0.000 0.407 3054 H N 3.610 122.794 119.070 0.191 0.000 3.209 3054 H HA -0.120 4.437 4.556 0.002 0.000 0.297 3054 H C 0.021 175.451 175.328 0.169 0.000 0.936 3054 H CA 0.152 56.299 56.048 0.166 0.000 1.392 3054 H CB 0.379 30.236 29.762 0.159 0.000 1.349 3054 H HN 0.382 nan 8.280 nan 0.000 0.568 3055 M N 4.644 124.382 119.600 0.230 0.000 2.319 3055 M HA 0.105 4.586 4.480 0.002 0.000 0.343 3055 M C -0.341 175.995 176.300 0.061 0.000 1.364 3055 M CA -0.123 55.247 55.300 0.117 0.000 1.292 3055 M CB -0.269 32.383 32.600 0.087 0.000 1.432 3055 M HN 0.691 nan 8.290 nan 0.000 0.448 3056 T N 0.466 115.043 114.554 0.039 0.000 2.858 3056 T HA 0.536 4.888 4.350 0.002 0.000 0.285 3056 T C 0.907 175.563 174.700 -0.073 0.000 1.052 3056 T CA -0.909 61.198 62.100 0.011 0.000 1.009 3056 T CB 0.778 69.702 68.868 0.093 0.000 1.241 3056 T HN 0.199 nan 8.240 nan 0.000 0.542 3057 V N 0.972 120.827 119.914 -0.100 0.000 2.282 3057 V HA -0.163 3.958 4.120 0.002 0.000 0.249 3057 V C 2.716 178.781 176.094 -0.049 0.000 1.057 3057 V CA 2.292 64.507 62.300 -0.141 0.000 1.032 3057 V CB -1.142 30.613 31.823 -0.114 0.000 0.645 3057 V HN 0.888 nan 8.190 nan 0.000 0.447 3058 E N 0.199 120.437 120.200 0.063 0.000 2.031 3058 E HA -0.170 4.181 4.350 0.002 0.000 0.193 3058 E C 2.330 179.069 176.600 0.231 0.000 0.994 3058 E CA 1.943 58.463 56.400 0.199 0.000 0.800 3058 E CB -0.743 29.134 29.700 0.295 0.000 0.752 3058 E HN 0.571 nan 8.360 nan 0.000 0.447 3059 T N 0.535 115.166 114.554 0.129 0.000 2.833 3059 T HA -0.154 4.197 4.350 0.002 0.000 0.269 3059 T C 1.861 176.304 174.700 -0.429 0.000 1.054 3059 T CA 1.149 63.066 62.100 -0.304 0.000 1.135 3059 T CB -0.336 68.413 68.868 -0.197 0.000 0.869 3059 T HN 0.283 nan 8.240 nan 0.000 0.466 3060 A N 1.177 123.823 122.820 -0.290 0.000 1.877 3060 A HA -0.057 4.265 4.320 0.002 0.000 0.216 3060 A C 2.579 179.992 177.584 -0.285 0.000 1.186 3060 A CA 1.452 53.291 52.037 -0.331 0.000 0.620 3060 A CB -1.036 17.807 19.000 -0.262 0.000 0.822 3060 A HN 0.363 nan 8.150 nan 0.000 0.443 3061 V N 0.159 119.968 119.914 -0.175 0.000 2.392 3061 V HA -0.253 3.869 4.120 0.002 0.000 0.249 3061 V C 2.509 178.514 176.094 -0.148 0.000 1.059 3061 V CA 1.958 64.186 62.300 -0.120 0.000 1.051 3061 V CB -1.038 30.764 31.823 -0.036 0.000 0.658 3061 V HN 0.635 nan 8.190 nan 0.000 0.455 3062 L N 0.550 121.655 121.223 -0.197 0.000 1.976 3062 L HA -0.144 4.197 4.340 0.002 0.000 0.209 3062 L C 2.249 178.921 176.870 -0.330 0.000 1.071 3062 L CA 1.943 56.636 54.840 -0.245 0.000 0.746 3062 L CB -0.740 41.042 42.059 -0.461 0.000 0.890 3062 L HN 0.242 nan 8.230 nan 0.000 0.432 3063 I N -0.043 120.192 120.570 -0.558 0.000 2.113 3063 I HA -0.357 3.815 4.170 0.002 0.000 0.242 3063 I C 2.446 178.378 176.117 -0.308 0.000 1.064 3063 I CA 1.986 62.928 61.300 -0.596 0.000 1.320 3063 I CB -0.642 36.864 38.000 -0.822 0.000 1.028 3063 I HN 0.406 nan 8.210 nan 0.000 0.406 3064 E N -0.024 120.023 120.200 -0.254 0.000 2.333 3064 E HA -0.158 4.194 4.350 0.002 0.000 0.198 3064 E C 2.031 178.565 176.600 -0.110 0.000 1.007 3064 E CA 1.392 57.697 56.400 -0.158 0.000 0.845 3064 E CB -0.065 29.553 29.700 -0.137 0.000 0.766 3064 E HN 0.536 nan 8.360 nan 0.000 0.507 3065 T N 0.850 115.335 114.554 -0.114 0.000 2.894 3065 T HA 0.001 4.352 4.350 0.002 0.000 0.258 3065 T C 1.900 176.568 174.700 -0.053 0.000 1.043 3065 T CA 0.382 62.445 62.100 -0.062 0.000 1.141 3065 T CB 0.009 68.849 68.868 -0.047 0.000 0.873 3065 T HN 0.089 nan 8.240 nan 0.000 0.449 3066 L N 0.813 121.987 121.223 -0.081 0.000 2.083 3066 L HA -0.071 4.271 4.340 0.002 0.000 0.209 3066 L C 2.571 179.409 176.870 -0.053 0.000 1.083 3066 L CA 0.841 55.644 54.840 -0.060 0.000 0.752 3066 L CB -0.559 41.472 42.059 -0.047 0.000 0.899 3066 L HN 0.142 nan 8.230 nan 0.000 0.433 3067 V N -0.146 119.732 119.914 -0.060 0.000 2.379 3067 V HA -0.195 3.926 4.120 0.002 0.000 0.245 3067 V C 2.626 178.704 176.094 -0.027 0.000 1.044 3067 V CA 1.616 63.891 62.300 -0.042 0.000 1.036 3067 V CB -0.601 31.190 31.823 -0.052 0.000 0.664 3067 V HN 0.462 nan 8.190 nan 0.000 0.453 3068 A N -0.662 122.143 122.820 -0.027 0.000 2.125 3068 A HA -0.067 4.254 4.320 0.002 0.000 0.219 3068 A C 1.760 179.354 177.584 0.017 0.000 1.156 3068 A CA 1.211 53.244 52.037 -0.006 0.000 0.671 3068 A CB -0.344 18.652 19.000 -0.007 0.000 0.794 3068 A HN 0.447 nan 8.150 nan 0.000 0.459 3069 L N -0.962 120.269 121.223 0.013 0.000 2.685 3069 L HA 0.318 4.660 4.340 0.002 0.000 0.233 3069 L C 1.492 178.374 176.870 0.020 0.000 1.173 3069 L CA 0.897 55.758 54.840 0.035 0.000 0.961 3069 L CB -0.297 41.774 42.059 0.019 0.000 1.217 3069 L HN 0.540 nan 8.230 nan 0.000 0.478 3070 G N -0.943 107.861 108.800 0.005 0.000 2.137 3070 G HA2 -0.167 3.795 3.960 0.002 0.000 0.237 3070 G HA3 -0.167 3.795 3.960 0.002 0.000 0.237 3070 G C 0.401 175.275 174.900 -0.043 0.000 1.002 3070 G CA 0.158 45.258 45.100 0.001 0.000 0.702 3070 G HN 0.653 nan 8.290 nan 0.000 0.515 3071 A N -0.653 122.122 122.820 -0.074 0.000 2.294 3071 A HA 0.835 5.156 4.320 0.002 0.000 0.330 3071 A C 0.056 177.602 177.584 -0.063 0.000 1.133 3071 A CA -0.380 51.573 52.037 -0.140 0.000 0.836 3071 A CB 0.885 19.776 19.000 -0.181 0.000 1.190 3071 A HN 0.374 nan 8.150 nan 0.000 0.492 3072 E N -0.146 120.012 120.200 -0.070 0.000 2.174 3072 E HA 0.530 4.882 4.350 0.002 0.000 0.282 3072 E C -1.182 175.573 176.600 0.258 0.000 0.992 3072 E CA -0.186 56.278 56.400 0.108 0.000 0.803 3072 E CB 1.820 31.586 29.700 0.111 0.000 1.090 3072 E HN 0.324 nan 8.360 nan 0.000 0.396 3073 V N 3.605 123.696 119.914 0.294 0.000 2.709 3073 V HA 0.506 4.628 4.120 0.002 0.000 0.308 3073 V C -0.518 175.693 176.094 0.194 0.000 1.062 3073 V CA -0.796 61.688 62.300 0.306 0.000 0.901 3073 V CB 2.073 34.026 31.823 0.217 0.000 1.003 3073 V HN 0.559 nan 8.190 nan 0.000 0.425 3074 R N 3.035 123.637 120.500 0.171 0.000 2.513 3074 R HA 0.456 4.798 4.340 0.002 0.000 0.301 3074 R C -1.684 174.709 176.300 0.155 0.000 0.968 3074 R CA -0.446 55.655 56.100 0.001 0.000 0.872 3074 R CB 1.589 31.685 30.300 -0.339 0.000 1.177 3074 R HN 0.749 nan 8.270 nan 0.000 0.444 3075 W N 2.170 123.436 121.300 -0.057 0.000 2.781 3075 W HA 0.509 5.170 4.660 0.002 0.000 0.345 3075 W C -0.878 175.638 176.519 -0.006 0.000 1.085 3075 W CA -0.363 56.947 57.345 -0.059 0.000 1.198 3075 W CB 2.354 31.754 29.460 -0.101 0.000 1.423 3075 W HN 0.657 nan 8.180 nan 0.000 0.532 3076 S N 1.017 116.663 115.700 -0.090 0.000 2.537 3076 S HA 0.340 4.811 4.470 0.002 0.000 0.270 3076 S C -0.685 173.866 174.600 -0.083 0.000 1.142 3076 S CA -0.742 57.421 58.200 -0.063 0.000 0.870 3076 S CB 1.778 64.843 63.200 -0.227 0.000 1.112 3076 S HN 0.384 nan 8.310 nan 0.000 0.466 3077 S N -0.217 115.490 115.700 0.013 0.000 2.617 3077 S HA 0.327 4.799 4.470 0.002 0.000 0.259 3077 S C 1.061 175.687 174.600 0.043 0.000 1.301 3077 S CA -0.059 58.175 58.200 0.057 0.000 0.984 3077 S CB 0.119 63.366 63.200 0.077 0.000 0.954 3077 S HN 1.656 nan 8.310 nan 0.000 0.572 3078 C N 1.910 121.184 119.300 -0.042 0.000 3.115 3078 C HA 0.581 5.042 4.460 0.002 0.000 0.277 3078 C C -0.050 174.903 174.990 -0.060 0.000 1.460 3078 C CA -0.853 58.150 59.018 -0.025 0.000 1.789 3078 C CB -1.792 25.796 27.740 -0.254 0.000 2.674 3078 C HN 0.729 nan 8.230 nan 0.000 0.582 3079 N N 1.039 119.720 118.700 -0.031 0.000 2.431 3079 N HA 0.291 5.032 4.740 0.002 0.000 0.275 3079 N C 0.550 175.960 175.510 -0.168 0.000 1.091 3079 N CA -0.426 52.578 53.050 -0.077 0.000 0.922 3079 N CB 1.378 40.016 38.487 0.252 0.000 1.666 3079 N HN 0.360 nan 8.380 nan 0.000 0.484 3080 I N -0.070 120.247 120.570 -0.421 0.000 2.454 3080 I HA -0.069 4.102 4.170 0.002 0.000 0.254 3080 I C 0.728 176.463 176.117 -0.637 0.000 1.156 3080 I CA 1.261 62.194 61.300 -0.612 0.000 1.433 3080 I CB -0.339 37.118 38.000 -0.906 0.000 1.082 3080 I HN 0.241 nan 8.210 nan 0.000 0.432 3081 F N 1.207 121.154 119.950 -0.005 0.000 2.637 3081 F HA 0.089 4.618 4.527 0.003 0.000 0.284 3081 F C 2.788 178.633 175.800 0.075 0.000 1.105 3081 F CA 0.577 58.601 58.000 0.041 0.000 1.356 3081 F CB -0.730 38.288 39.000 0.030 0.000 1.096 3081 F HN 0.006 nan 8.300 nan 0.000 0.616 3082 S N -0.444 115.424 115.700 0.280 0.000 2.413 3082 S HA -0.247 4.225 4.470 0.002 0.000 0.237 3082 S C 1.396 176.114 174.600 0.197 0.000 1.044 3082 S CA 1.404 59.743 58.200 0.233 0.000 1.024 3082 S CB -1.607 61.797 63.200 0.341 0.000 0.829 3082 S HN 0.384 nan 8.310 nan 0.000 0.475 3083 T N 1.575 116.234 114.554 0.175 0.000 2.902 3083 T HA 0.179 4.530 4.350 0.002 0.000 0.301 3083 T C -0.368 174.412 174.700 0.132 0.000 1.012 3083 T CA -0.257 61.926 62.100 0.139 0.000 1.151 3083 T CB 0.289 69.214 68.868 0.095 0.000 0.946 3083 T HN 0.513 nan 8.240 nan 0.000 0.542 3084 Q N 3.663 123.522 119.800 0.098 0.000 2.274 3084 Q HA 0.229 4.571 4.340 0.002 0.000 0.256 3084 Q C 0.728 176.775 176.000 0.078 0.000 0.927 3084 Q CA -0.664 55.203 55.803 0.107 0.000 0.939 3084 Q CB 1.286 30.065 28.738 0.069 0.000 1.201 3084 Q HN 0.698 nan 8.270 nan 0.000 0.426 3085 D N 1.042 121.531 120.400 0.148 0.000 2.123 3085 D HA -0.163 4.478 4.640 0.002 0.000 0.200 3085 D C 1.608 177.941 176.300 0.055 0.000 0.976 3085 D CA 1.130 55.206 54.000 0.127 0.000 0.831 3085 D CB 0.189 41.102 40.800 0.189 0.000 0.974 3085 D HN 0.693 nan 8.370 nan 0.000 0.469 3086 H N 0.566 119.483 119.070 -0.254 0.000 2.457 3086 H HA 0.126 4.684 4.556 0.002 0.000 0.294 3086 H C 1.690 176.828 175.328 -0.315 0.000 1.064 3086 H CA 1.282 57.102 56.048 -0.379 0.000 1.330 3086 H CB -0.507 28.576 29.762 -1.132 0.000 1.395 3086 H HN 0.038 nan 8.280 nan 0.000 0.541 3087 A N 1.395 123.762 122.820 -0.754 0.000 1.930 3087 A HA 0.277 4.599 4.320 0.002 0.000 0.215 3087 A C 2.724 180.121 177.584 -0.311 0.000 1.176 3087 A CA 1.318 52.997 52.037 -0.596 0.000 0.632 3087 A CB -0.776 17.899 19.000 -0.543 0.000 0.819 3087 A HN 0.568 nan 8.150 nan 0.000 0.445 3088 A N 0.016 122.716 122.820 -0.200 0.000 1.897 3088 A HA 0.251 4.573 4.320 0.002 0.000 0.215 3088 A C 2.468 179.950 177.584 -0.169 0.000 1.181 3088 A CA 1.776 53.731 52.037 -0.136 0.000 0.620 3088 A CB -0.934 18.048 19.000 -0.029 0.000 0.821 3088 A HN 0.941 nan 8.150 nan 0.000 0.443 3089 A N 0.045 122.781 122.820 -0.140 0.000 1.902 3089 A HA 0.142 4.464 4.320 0.002 0.000 0.217 3089 A C 2.479 179.950 177.584 -0.190 0.000 1.181 3089 A CA 2.079 54.021 52.037 -0.157 0.000 0.623 3089 A CB -1.012 17.955 19.000 -0.054 0.000 0.818 3089 A HN 1.072 nan 8.150 nan 0.000 0.443 3090 A N -0.446 122.271 122.820 -0.172 0.000 2.019 3090 A HA -0.027 4.294 4.320 0.002 0.000 0.219 3090 A C 1.993 179.471 177.584 -0.176 0.000 1.164 3090 A CA 1.524 53.467 52.037 -0.156 0.000 0.644 3090 A CB -0.405 18.495 19.000 -0.167 0.000 0.805 3090 A HN 0.415 nan 8.150 nan 0.000 0.449 3091 I N -0.294 120.148 120.570 -0.212 0.000 2.193 3091 I HA -0.158 4.014 4.170 0.002 0.000 0.240 3091 I C 2.971 178.955 176.117 -0.221 0.000 1.084 3091 I CA 1.325 62.496 61.300 -0.214 0.000 1.365 3091 I CB -1.598 36.257 38.000 -0.242 0.000 1.064 3091 I HN 0.349 nan 8.210 nan 0.000 0.410 3092 A N 0.935 123.564 122.820 -0.318 0.000 1.883 3092 A HA -0.257 4.064 4.320 0.002 0.000 0.217 3092 A C 2.402 179.776 177.584 -0.349 0.000 1.186 3092 A CA 2.022 53.759 52.037 -0.501 0.000 0.624 3092 A CB -0.667 17.684 19.000 -1.081 0.000 0.822 3092 A HN 0.384 nan 8.150 nan 0.000 0.444 3093 K N 0.176 120.406 120.400 -0.283 0.000 2.209 3093 K HA -0.029 4.292 4.320 0.002 0.000 0.204 3093 K C 1.764 178.323 176.600 -0.069 0.000 1.048 3093 K CA 1.263 57.473 56.287 -0.128 0.000 0.940 3093 K CB -0.346 32.095 32.500 -0.099 0.000 0.729 3093 K HN 0.350 nan 8.250 nan 0.000 0.451 3094 A N 0.417 123.180 122.820 -0.094 0.000 2.239 3094 A HA 0.130 4.451 4.320 0.002 0.000 0.209 3094 A C 1.320 178.880 177.584 -0.039 0.000 1.171 3094 A CA 1.076 53.073 52.037 -0.067 0.000 0.768 3094 A CB -0.462 18.483 19.000 -0.093 0.000 0.790 3094 A HN 0.580 nan 8.150 nan 0.000 0.478 3095 G N -1.625 107.162 108.800 -0.022 0.000 2.144 3095 G HA2 -0.184 3.778 3.960 0.002 0.000 0.218 3095 G HA3 -0.184 3.778 3.960 0.002 0.000 0.218 3095 G C -0.050 174.855 174.900 0.007 0.000 0.988 3095 G CA 0.140 45.251 45.100 0.018 0.000 0.659 3095 G HN 0.407 nan 8.290 nan 0.000 0.522 3096 I N 2.255 122.805 120.570 -0.033 0.000 2.377 3096 I HA 0.415 4.587 4.170 0.002 0.000 0.293 3096 I C -1.946 174.133 176.117 -0.062 0.000 0.987 3096 I CA -2.746 58.525 61.300 -0.049 0.000 1.185 3096 I CB 2.069 40.015 38.000 -0.089 0.000 1.341 3096 I HN -0.138 nan 8.210 nan 0.000 0.455 3097 P HA 0.129 nan 4.420 nan 0.000 0.277 3097 P C -0.919 176.169 177.300 -0.353 0.000 1.354 3097 P CA -0.107 62.875 63.100 -0.197 0.000 0.891 3097 P CB 0.319 31.938 31.700 -0.135 0.000 1.058 3098 V N 1.656 121.299 119.914 -0.452 0.000 2.555 3098 V HA 0.595 4.717 4.120 0.002 0.000 0.302 3098 V C -0.535 175.256 176.094 -0.505 0.000 1.038 3098 V CA -0.895 61.211 62.300 -0.324 0.000 0.887 3098 V CB 1.466 33.204 31.823 -0.142 0.000 0.991 3098 V HN 0.150 nan 8.190 nan 0.000 0.434 3099 F N 3.108 123.097 119.950 0.065 0.000 2.451 3099 F HA 0.878 5.406 4.527 0.002 0.000 0.367 3099 F C 0.427 176.204 175.800 -0.039 0.000 1.100 3099 F CA -0.272 57.783 58.000 0.091 0.000 1.171 3099 F CB 1.439 40.342 39.000 -0.162 0.000 1.405 3099 F HN 0.917 nan 8.300 nan 0.000 0.482 3100 A N 2.696 125.612 122.820 0.160 0.000 2.547 3100 A HA 0.706 5.027 4.320 0.002 0.000 0.298 3100 A C -1.997 175.671 177.584 0.139 0.000 1.062 3100 A CA -0.802 51.178 52.037 -0.094 0.000 0.748 3100 A CB 0.520 19.512 19.000 -0.012 0.000 1.288 3100 A HN 0.683 nan 8.150 nan 0.000 0.396 3101 W N 1.409 122.792 121.300 0.139 0.000 3.032 3101 W HA 0.749 5.410 4.660 0.002 0.000 0.335 3101 W C -0.394 176.183 176.519 0.097 0.000 1.154 3101 W CA -1.037 56.375 57.345 0.113 0.000 1.204 3101 W CB 1.205 30.735 29.460 0.118 0.000 1.416 3101 W HN 0.739 nan 8.180 nan 0.000 0.521 3102 K N 1.917 122.485 120.400 0.279 0.000 2.412 3102 K HA 0.414 4.735 4.320 0.002 0.000 0.281 3102 K C 0.759 177.511 176.600 0.253 0.000 1.027 3102 K CA 0.898 57.316 56.287 0.218 0.000 0.989 3102 K CB 0.118 32.770 32.500 0.253 0.000 0.935 3102 K HN 1.336 nan 8.250 nan 0.000 0.475 3103 G N 3.518 112.358 108.800 0.067 0.000 2.470 3103 G HA2 -0.216 3.745 3.960 0.002 0.000 0.286 3103 G HA3 -0.216 3.745 3.960 0.002 0.000 0.286 3103 G C -0.675 174.221 174.900 -0.006 0.000 1.115 3103 G CA 0.086 45.187 45.100 0.002 0.000 1.122 3103 G HN 0.708 nan 8.290 nan 0.000 0.522 3104 E N 0.018 120.055 120.200 -0.273 0.000 2.254 3104 E HA 0.689 5.040 4.350 0.002 0.000 0.261 3104 E C 0.797 177.363 176.600 -0.058 0.000 1.051 3104 E CA -0.390 56.001 56.400 -0.016 0.000 0.902 3104 E CB 0.966 30.490 29.700 -0.292 0.000 1.168 3104 E HN 0.472 nan 8.360 nan 0.000 0.423 3105 T N -1.732 112.886 114.554 0.106 0.000 2.909 3105 T HA 0.118 4.470 4.350 0.002 0.000 0.286 3105 T C 0.186 174.930 174.700 0.074 0.000 1.002 3105 T CA -0.746 61.400 62.100 0.077 0.000 1.074 3105 T CB 0.855 69.794 68.868 0.118 0.000 0.984 3105 T HN 0.267 nan 8.240 nan 0.000 0.495 3106 D N 1.364 121.790 120.400 0.045 0.000 2.357 3106 D HA -0.054 4.587 4.640 0.002 0.000 0.216 3106 D C 1.520 177.909 176.300 0.147 0.000 0.973 3106 D CA 1.130 55.173 54.000 0.072 0.000 0.912 3106 D CB 0.017 40.844 40.800 0.044 0.000 0.900 3106 D HN 0.763 nan 8.370 nan 0.000 0.501 3107 E N 0.291 120.572 120.200 0.134 0.000 2.075 3107 E HA -0.022 4.329 4.350 0.002 0.000 0.190 3107 E C 1.762 178.484 176.600 0.203 0.000 0.969 3107 E CA 0.574 57.060 56.400 0.142 0.000 0.815 3107 E CB -0.059 29.701 29.700 0.101 0.000 0.776 3107 E HN 0.353 nan 8.360 nan 0.000 0.457 3108 E N -0.056 120.290 120.200 0.243 0.000 2.208 3108 E HA -0.186 4.165 4.350 0.002 0.000 0.193 3108 E C 1.539 178.348 176.600 0.348 0.000 0.988 3108 E CA 0.669 57.300 56.400 0.386 0.000 0.828 3108 E CB -0.159 29.886 29.700 0.575 0.000 0.763 3108 E HN 0.270 nan 8.360 nan 0.000 0.478 3109 Y N 1.602 121.934 120.300 0.053 0.000 2.133 3109 Y HA -0.200 4.352 4.550 0.003 0.000 0.287 3109 Y C 1.957 177.835 175.900 -0.037 0.000 1.134 3109 Y CA 1.153 59.208 58.100 -0.075 0.000 1.133 3109 Y CB -0.195 38.196 38.460 -0.115 0.000 0.987 3109 Y HN -0.029 nan 8.280 nan 0.000 0.502 3110 L N -0.514 120.686 121.223 -0.038 0.000 2.131 3110 L HA -0.218 4.123 4.340 0.002 0.000 0.210 3110 L C 2.181 178.978 176.870 -0.121 0.000 1.092 3110 L CA 1.723 56.475 54.840 -0.146 0.000 0.759 3110 L CB -1.875 40.200 42.059 0.025 0.000 0.903 3110 L HN 0.657 nan 8.230 nan 0.000 0.435 3111 W N -0.434 120.785 121.300 -0.137 0.000 2.407 3111 W HA -0.184 4.477 4.660 0.002 0.000 0.305 3111 W C 2.703 179.086 176.519 -0.226 0.000 1.196 3111 W CA 1.295 58.567 57.345 -0.122 0.000 1.311 3111 W CB -0.546 28.905 29.460 -0.015 0.000 1.135 3111 W HN 0.080 nan 8.180 nan 0.000 0.514 3112 C N 0.835 119.914 119.300 -0.369 0.000 2.401 3112 C HA -0.242 4.220 4.460 0.002 0.000 0.276 3112 C C 2.723 177.254 174.990 -0.765 0.000 1.233 3112 C CA 1.543 60.152 59.018 -0.681 0.000 1.753 3112 C CB -1.489 26.087 27.740 -0.274 0.000 2.029 3112 C HN 0.408 nan 8.230 nan 0.000 0.478 3113 I N 0.419 120.611 120.570 -0.631 0.000 2.142 3113 I HA -0.209 3.962 4.170 0.002 0.000 0.240 3113 I C 2.525 178.312 176.117 -0.551 0.000 1.078 3113 I CA 1.638 62.596 61.300 -0.570 0.000 1.343 3113 I CB -0.660 36.993 38.000 -0.578 0.000 1.046 3113 I HN 0.349 nan 8.210 nan 0.000 0.405 3114 E N 0.409 120.299 120.200 -0.516 0.000 2.187 3114 E HA -0.278 4.073 4.350 0.002 0.000 0.199 3114 E C 2.209 178.515 176.600 -0.491 0.000 1.004 3114 E CA 1.174 57.334 56.400 -0.399 0.000 0.813 3114 E CB 0.034 29.582 29.700 -0.253 0.000 0.736 3114 E HN 0.431 nan 8.360 nan 0.000 0.468 3115 Q N -0.733 118.543 119.800 -0.874 0.000 2.170 3115 Q HA -0.107 4.234 4.340 0.002 0.000 0.203 3115 Q C 2.185 177.802 176.000 -0.639 0.000 0.976 3115 Q CA 1.743 56.912 55.803 -1.058 0.000 0.858 3115 Q CB -0.573 26.673 28.738 -2.488 0.000 0.907 3115 Q HN 0.428 nan 8.270 nan 0.000 0.433 3116 T N -1.922 112.332 114.554 -0.500 0.000 3.215 3116 T HA 0.151 4.502 4.350 0.002 0.000 0.254 3116 T C 1.701 176.258 174.700 -0.238 0.000 1.149 3116 T CA 0.122 62.052 62.100 -0.282 0.000 1.042 3116 T CB -0.238 68.494 68.868 -0.225 0.000 0.966 3116 T HN 0.108 nan 8.240 nan 0.000 0.534 3117 L N -0.377 120.684 121.223 -0.270 0.000 2.375 3117 L HA 0.263 4.604 4.340 0.002 0.000 0.215 3117 L C 0.877 177.522 176.870 -0.374 0.000 1.108 3117 L CA 0.435 55.091 54.840 -0.307 0.000 0.830 3117 L CB -0.206 41.611 42.059 -0.404 0.000 0.959 3117 L HN 0.360 nan 8.230 nan 0.000 0.457 3118 H N -0.829 118.258 119.070 0.028 0.000 2.609 3118 H HA 0.406 4.963 4.556 0.002 0.000 0.344 3118 H C -0.967 174.409 175.328 0.080 0.000 1.040 3118 H CA -0.688 55.440 56.048 0.132 0.000 1.216 3118 H CB 1.722 31.511 29.762 0.045 0.000 1.529 3118 H HN -0.201 nan 8.280 nan 0.000 0.519 3119 F N 1.200 121.202 119.950 0.088 0.000 2.461 3119 F HA 0.163 4.692 4.527 0.002 0.000 0.332 3119 F C 1.719 177.554 175.800 0.059 0.000 1.073 3119 F CA -1.137 56.896 58.000 0.055 0.000 1.017 3119 F CB 0.806 39.816 39.000 0.016 0.000 1.301 3119 F HN 0.364 nan 8.300 nan 0.000 0.492 3120 K N -0.683 119.857 120.400 0.233 0.000 2.147 3120 K HA -0.107 4.215 4.320 0.002 0.000 0.205 3120 K C 0.557 177.234 176.600 0.129 0.000 1.049 3120 K CA 1.826 58.195 56.287 0.137 0.000 0.936 3120 K CB -0.316 32.247 32.500 0.105 0.000 0.722 3120 K HN 0.351 nan 8.250 nan 0.000 0.446 3121 D N 0.275 120.767 120.400 0.154 0.000 2.340 3121 D HA 0.216 4.858 4.640 0.002 0.000 0.217 3121 D C 0.461 176.817 176.300 0.092 0.000 1.081 3121 D CA 0.806 54.864 54.000 0.097 0.000 0.842 3121 D CB 0.714 41.553 40.800 0.065 0.000 0.934 3121 D HN 0.386 nan 8.370 nan 0.000 0.511 3122 G N 1.235 110.125 108.800 0.150 0.000 2.315 3122 G HA2 -0.071 3.891 3.960 0.002 0.000 0.296 3122 G HA3 -0.071 3.891 3.960 0.002 0.000 0.296 3122 G C -3.000 172.038 174.900 0.230 0.000 1.289 3122 G CA -0.982 44.209 45.100 0.151 0.000 0.996 3122 G HN -0.163 nan 8.290 nan 0.000 0.487 3123 P HA 0.501 nan 4.420 nan 0.000 0.276 3123 P C 0.425 177.684 177.300 -0.067 0.000 1.261 3123 P CA -0.561 62.608 63.100 0.115 0.000 0.800 3123 P CB 0.751 32.489 31.700 0.062 0.000 1.066 3124 L N -0.029 121.140 121.223 -0.089 0.000 2.514 3124 L HA 0.219 4.561 4.340 0.002 0.000 0.280 3124 L C 0.788 177.525 176.870 -0.222 0.000 1.223 3124 L CA 0.273 54.963 54.840 -0.250 0.000 0.864 3124 L CB -0.533 41.496 42.059 -0.049 0.000 1.118 3124 L HN 0.322 nan 8.230 nan 0.000 0.494 3125 N N 2.099 120.636 118.700 -0.271 0.000 2.171 3125 N HA 0.285 5.027 4.740 0.002 0.000 0.212 3125 N C -0.453 175.006 175.510 -0.086 0.000 1.184 3125 N CA -0.283 52.693 53.050 -0.123 0.000 0.888 3125 N CB 0.493 38.952 38.487 -0.047 0.000 1.038 3125 N HN 0.718 nan 8.380 nan 0.000 0.517 3126 M N 0.421 119.927 119.600 -0.158 0.000 2.465 3126 M HA 0.535 5.017 4.480 0.002 0.000 0.284 3126 M C -2.112 174.111 176.300 -0.128 0.000 1.212 3126 M CA -0.453 54.776 55.300 -0.118 0.000 0.910 3126 M CB 2.540 35.039 32.600 -0.170 0.000 1.725 3126 M HN 0.014 nan 8.290 nan 0.000 0.477 3127 I N 3.426 123.932 120.570 -0.106 0.000 2.509 3127 I HA 0.561 4.732 4.170 0.002 0.000 0.293 3127 I C -1.370 174.669 176.117 -0.131 0.000 1.020 3127 I CA -0.596 60.623 61.300 -0.133 0.000 1.088 3127 I CB 1.983 39.914 38.000 -0.116 0.000 1.267 3127 I HN 0.638 nan 8.210 nan 0.000 0.430 3128 L N 5.925 127.033 121.223 -0.191 0.000 2.401 3128 L HA 0.526 4.868 4.340 0.002 0.000 0.263 3128 L C -1.601 175.126 176.870 -0.239 0.000 1.004 3128 L CA -0.232 54.508 54.840 -0.168 0.000 0.881 3128 L CB 0.683 42.657 42.059 -0.142 0.000 1.219 3128 L HN 0.504 nan 8.230 nan 0.000 0.441 3129 D N 2.551 122.859 120.400 -0.155 0.000 2.342 3129 D HA 0.334 4.975 4.640 0.002 0.000 0.243 3129 D C -1.404 174.848 176.300 -0.081 0.000 1.019 3129 D CA -0.045 53.864 54.000 -0.152 0.000 0.864 3129 D CB 2.417 43.139 40.800 -0.128 0.000 1.315 3129 D HN 0.412 nan 8.370 nan 0.000 0.468 3130 D N 1.630 121.981 120.400 -0.081 0.000 2.375 3130 D HA 0.455 5.097 4.640 0.002 0.000 0.259 3130 D C 0.636 176.919 176.300 -0.028 0.000 1.235 3130 D CA -0.327 53.663 54.000 -0.016 0.000 0.924 3130 D CB 0.274 41.085 40.800 0.018 0.000 1.143 3130 D HN 0.602 nan 8.370 nan 0.000 0.529 3131 G N 1.944 110.742 108.800 -0.003 0.000 2.617 3131 G HA2 -0.043 3.918 3.960 0.002 0.000 0.197 3131 G HA3 -0.043 3.918 3.960 0.002 0.000 0.197 3131 G C 1.040 175.942 174.900 0.004 0.000 1.017 3131 G CA 0.460 45.569 45.100 0.014 0.000 0.713 3131 G HN 1.448 nan 8.290 nan 0.000 0.481 3132 G N 0.244 109.029 108.800 -0.025 0.000 2.254 3132 G HA2 -0.270 3.692 3.960 0.002 0.000 0.225 3132 G HA3 -0.270 3.692 3.960 0.002 0.000 0.225 3132 G C 0.838 175.719 174.900 -0.031 0.000 1.003 3132 G CA 0.985 46.068 45.100 -0.029 0.000 0.622 3132 G HN 0.673 nan 8.290 nan 0.000 0.507 3133 D N 0.584 120.971 120.400 -0.022 0.000 2.126 3133 D HA -0.126 4.516 4.640 0.002 0.000 0.190 3133 D C 2.517 178.761 176.300 -0.094 0.000 1.001 3133 D CA 1.278 55.262 54.000 -0.026 0.000 0.841 3133 D CB -0.373 40.442 40.800 0.026 0.000 0.949 3133 D HN 0.394 nan 8.370 nan 0.000 0.446 3134 L N 0.711 121.848 121.223 -0.143 0.000 1.956 3134 L HA -0.252 4.089 4.340 0.002 0.000 0.216 3134 L C 2.649 179.437 176.870 -0.138 0.000 1.073 3134 L CA 2.547 57.269 54.840 -0.196 0.000 0.762 3134 L CB -1.014 40.904 42.059 -0.234 0.000 0.889 3134 L HN 0.253 nan 8.230 nan 0.000 0.433 3135 T N -2.709 111.799 114.554 -0.078 0.000 2.778 3135 T HA -0.240 4.111 4.350 0.002 0.000 0.269 3135 T C 1.448 176.228 174.700 0.134 0.000 1.050 3135 T CA 2.110 64.226 62.100 0.027 0.000 1.137 3135 T CB -0.621 68.264 68.868 0.028 0.000 0.860 3135 T HN 0.484 nan 8.240 nan 0.000 0.468 3136 N N 0.566 119.286 118.700 0.034 0.000 2.092 3136 N HA 0.127 4.868 4.740 0.002 0.000 0.189 3136 N C 1.923 177.450 175.510 0.028 0.000 1.040 3136 N CA 1.115 54.192 53.050 0.046 0.000 0.845 3136 N CB -0.327 38.165 38.487 0.008 0.000 1.017 3136 N HN 0.290 nan 8.380 nan 0.000 0.426 3137 L N 0.705 121.893 121.223 -0.057 0.000 2.089 3137 L HA -0.216 4.125 4.340 0.002 0.000 0.213 3137 L C 1.600 178.361 176.870 -0.182 0.000 1.079 3137 L CA 1.309 56.073 54.840 -0.126 0.000 0.758 3137 L CB -0.173 41.747 42.059 -0.231 0.000 0.891 3137 L HN 0.175 nan 8.230 nan 0.000 0.433 3138 I N -0.742 119.707 120.570 -0.202 0.000 2.233 3138 I HA -0.255 3.916 4.170 0.002 0.000 0.243 3138 I C 2.284 178.332 176.117 -0.115 0.000 1.093 3138 I CA 1.547 62.710 61.300 -0.227 0.000 1.380 3138 I CB -0.733 37.110 38.000 -0.263 0.000 1.067 3138 I HN 0.253 nan 8.210 nan 0.000 0.413 3139 H N -0.575 118.473 119.070 -0.037 0.000 2.321 3139 H HA -0.148 4.410 4.556 0.002 0.000 0.300 3139 H C 2.389 177.727 175.328 0.018 0.000 1.087 3139 H CA 2.323 58.367 56.048 -0.007 0.000 1.319 3139 H CB -0.313 29.438 29.762 -0.018 0.000 1.379 3139 H HN 0.420 nan 8.280 nan 0.000 0.501 3140 T N -1.179 113.455 114.554 0.133 0.000 2.942 3140 T HA -0.031 4.320 4.350 0.002 0.000 0.265 3140 T C 1.484 176.245 174.700 0.102 0.000 1.062 3140 T CA 0.952 63.110 62.100 0.097 0.000 1.139 3140 T CB 0.223 69.134 68.868 0.072 0.000 0.883 3140 T HN 0.322 nan 8.240 nan 0.000 0.468 3141 K N -0.623 119.875 120.400 0.163 0.000 2.436 3141 K HA 0.164 4.485 4.320 0.002 0.000 0.198 3141 K C 0.352 177.151 176.600 0.332 0.000 1.174 3141 K CA 0.171 56.613 56.287 0.258 0.000 0.951 3141 K CB 0.413 33.126 32.500 0.355 0.000 1.040 3141 K HN 0.393 nan 8.250 nan 0.000 0.536 3142 H N 0.318 119.363 119.070 -0.041 0.000 2.481 3142 H HA 0.238 4.795 4.556 0.002 0.000 0.273 3142 H C -2.159 173.126 175.328 -0.071 0.000 1.145 3142 H CA -2.539 53.480 56.048 -0.048 0.000 0.964 3142 H CB 0.067 29.792 29.762 -0.062 0.000 1.722 3142 H HN -0.007 nan 8.280 nan 0.000 0.573 3143 P HA -0.226 nan 4.420 nan 0.000 0.219 3143 P C 1.086 178.377 177.300 -0.016 0.000 1.145 3143 P CA 1.517 64.608 63.100 -0.016 0.000 0.813 3143 P CB 0.383 32.089 31.700 0.010 0.000 0.771 3144 Q N -0.696 119.107 119.800 0.004 0.000 2.084 3144 Q HA -0.110 4.232 4.340 0.002 0.000 0.202 3144 Q C 2.112 178.115 176.000 0.006 0.000 0.978 3144 Q CA 1.257 57.063 55.803 0.005 0.000 0.844 3144 Q CB -1.212 27.531 28.738 0.009 0.000 0.898 3144 Q HN 0.280 nan 8.270 nan 0.000 0.426 3145 L N -0.185 121.047 121.223 0.015 0.000 2.141 3145 L HA -0.128 4.214 4.340 0.002 0.000 0.209 3145 L C 1.955 178.795 176.870 -0.051 0.000 1.094 3145 L CA 0.186 55.022 54.840 -0.005 0.000 0.763 3145 L CB -0.623 41.429 42.059 -0.012 0.000 0.908 3145 L HN 0.232 nan 8.230 nan 0.000 0.437 3146 L N 0.544 121.714 121.223 -0.088 0.000 2.058 3146 L HA -0.329 4.013 4.340 0.002 0.000 0.226 3146 L C 2.642 179.472 176.870 -0.067 0.000 1.089 3146 L CA 2.381 57.142 54.840 -0.133 0.000 0.799 3146 L CB -1.374 40.590 42.059 -0.159 0.000 0.900 3146 L HN 0.364 nan 8.230 nan 0.000 0.442 3147 S N -1.132 114.548 115.700 -0.034 0.000 2.584 3147 S HA -0.031 4.440 4.470 0.002 0.000 0.240 3147 S C 1.763 176.360 174.600 -0.006 0.000 0.975 3147 S CA 0.668 58.861 58.200 -0.011 0.000 0.949 3147 S CB -0.462 62.737 63.200 -0.003 0.000 0.761 3147 S HN 0.622 nan 8.310 nan 0.000 0.536 3148 G N 1.079 109.869 108.800 -0.016 0.000 2.656 3148 G HA2 0.254 4.216 3.960 0.002 0.000 0.211 3148 G HA3 0.254 4.216 3.960 0.002 0.000 0.211 3148 G C 0.352 175.249 174.900 -0.006 0.000 1.137 3148 G CA -0.399 44.697 45.100 -0.008 0.000 0.802 3148 G HN 0.462 nan 8.290 nan 0.000 0.527 3149 I N 1.027 121.581 120.570 -0.026 0.000 2.452 3149 I HA 0.219 4.390 4.170 0.002 0.000 0.287 3149 I C 1.609 177.741 176.117 0.024 0.000 1.079 3149 I CA -0.196 61.092 61.300 -0.019 0.000 1.387 3149 I CB 1.507 39.474 38.000 -0.055 0.000 1.404 3149 I HN -0.020 nan 8.210 nan 0.000 0.522 3150 R N 4.017 124.561 120.500 0.074 0.000 2.115 3150 R HA 0.151 4.492 4.340 0.002 0.000 0.226 3150 R C 0.663 177.009 176.300 0.077 0.000 1.100 3150 R CA 0.718 56.878 56.100 0.100 0.000 0.980 3150 R CB 0.245 30.665 30.300 0.199 0.000 0.875 3150 R HN 0.930 nan 8.270 nan 0.000 0.445 3151 G N -0.860 107.973 108.800 0.055 0.000 2.523 3151 G HA2 0.403 4.364 3.960 0.002 0.000 0.291 3151 G HA3 0.403 4.364 3.960 0.002 0.000 0.291 3151 G C -1.404 173.490 174.900 -0.011 0.000 1.450 3151 G CA -0.826 44.286 45.100 0.021 0.000 0.790 3151 G HN 0.006 nan 8.290 nan 0.000 0.496 3152 I N -0.184 120.369 120.570 -0.028 0.000 2.910 3152 I HA 0.690 4.861 4.170 0.002 0.000 0.310 3152 I C -0.214 175.865 176.117 -0.063 0.000 1.043 3152 I CA -1.042 60.230 61.300 -0.047 0.000 1.053 3152 I CB 2.372 40.350 38.000 -0.037 0.000 1.242 3152 I HN 0.383 nan 8.210 nan 0.000 0.452 3153 S N 2.222 117.883 115.700 -0.065 0.000 2.779 3153 S HA 0.376 4.848 4.470 0.002 0.000 0.293 3153 S C -1.043 173.528 174.600 -0.047 0.000 1.150 3153 S CA -0.378 57.790 58.200 -0.052 0.000 1.057 3153 S CB 1.186 64.365 63.200 -0.035 0.000 1.021 3153 S HN 0.531 nan 8.310 nan 0.000 0.485 3154 E N 2.117 122.289 120.200 -0.045 0.000 2.199 3154 E HA 0.405 4.757 4.350 0.002 0.000 0.269 3154 E C 0.014 176.616 176.600 0.004 0.000 0.899 3154 E CA -0.574 55.805 56.400 -0.035 0.000 0.772 3154 E CB 1.006 30.663 29.700 -0.072 0.000 1.155 3154 E HN 0.709 nan 8.360 nan 0.000 0.408 3155 E N 1.436 121.657 120.200 0.036 0.000 2.660 3155 E HA 0.162 4.514 4.350 0.002 0.000 0.216 3155 E C -0.251 176.393 176.600 0.072 0.000 0.986 3155 E CA -0.350 56.093 56.400 0.073 0.000 1.037 3155 E CB 0.545 30.321 29.700 0.127 0.000 1.041 3155 E HN 0.359 nan 8.360 nan 0.000 0.480 3156 T N -2.458 112.121 114.554 0.042 0.000 2.908 3156 T HA 0.291 4.642 4.350 0.002 0.000 0.290 3156 T C 1.017 175.699 174.700 -0.031 0.000 1.034 3156 T CA -0.165 61.955 62.100 0.032 0.000 1.010 3156 T CB 1.816 70.718 68.868 0.057 0.000 1.068 3156 T HN -0.075 nan 8.240 nan 0.000 0.481 3157 T N 1.734 116.242 114.554 -0.077 0.000 2.652 3157 T HA -0.123 4.229 4.350 0.002 0.000 0.267 3157 T C 2.047 176.545 174.700 -0.337 0.000 1.039 3157 T CA 2.114 64.052 62.100 -0.270 0.000 1.153 3157 T CB -1.103 67.588 68.868 -0.295 0.000 0.863 3157 T HN 0.806 nan 8.240 nan 0.000 0.428 3158 T N 1.583 116.059 114.554 -0.130 0.000 2.597 3158 T HA -0.123 4.229 4.350 0.002 0.000 0.267 3158 T C 2.320 177.033 174.700 0.022 0.000 1.053 3158 T CA 1.602 63.704 62.100 0.003 0.000 1.165 3158 T CB -1.213 67.700 68.868 0.075 0.000 0.863 3158 T HN 0.556 nan 8.240 nan 0.000 0.427 3159 G N 0.863 109.665 108.800 0.003 0.000 2.476 3159 G HA2 -0.213 3.749 3.960 0.002 0.000 0.218 3159 G HA3 -0.213 3.749 3.960 0.002 0.000 0.218 3159 G C 1.698 176.581 174.900 -0.028 0.000 1.164 3159 G CA 1.203 46.298 45.100 -0.008 0.000 0.768 3159 G HN 0.474 nan 8.290 nan 0.000 0.560 3160 V N -0.094 119.795 119.914 -0.043 0.000 2.548 3160 V HA -0.113 4.009 4.120 0.002 0.000 0.249 3160 V C 2.313 178.466 176.094 0.098 0.000 1.055 3160 V CA 1.824 64.084 62.300 -0.066 0.000 1.065 3160 V CB -0.764 31.035 31.823 -0.041 0.000 0.681 3160 V HN 0.524 nan 8.190 nan 0.000 0.462 3161 H N 0.447 119.575 119.070 0.097 0.000 2.293 3161 H HA -0.213 4.344 4.556 0.002 0.000 0.300 3161 H C 2.457 177.839 175.328 0.089 0.000 1.082 3161 H CA 1.760 57.893 56.048 0.141 0.000 1.308 3161 H CB 0.034 29.847 29.762 0.086 0.000 1.375 3161 H HN 0.519 nan 8.280 nan 0.000 0.495 3162 N N 1.114 119.916 118.700 0.170 0.000 2.166 3162 N HA -0.152 4.589 4.740 0.002 0.000 0.186 3162 N C 1.897 177.406 175.510 -0.001 0.000 1.019 3162 N CA 0.912 54.001 53.050 0.064 0.000 0.856 3162 N CB -0.459 38.049 38.487 0.034 0.000 0.993 3162 N HN 0.308 nan 8.380 nan 0.000 0.426 3163 L N -0.943 120.248 121.223 -0.052 0.000 2.012 3163 L HA -0.204 4.137 4.340 0.002 0.000 0.210 3163 L C 1.775 178.553 176.870 -0.154 0.000 1.073 3163 L CA 1.338 56.079 54.840 -0.165 0.000 0.748 3163 L CB -0.463 41.432 42.059 -0.275 0.000 0.891 3163 L HN 0.248 nan 8.230 nan 0.000 0.431 3164 Y N 0.053 120.326 120.300 -0.044 0.000 2.293 3164 Y HA -0.267 4.284 4.550 0.002 0.000 0.291 3164 Y C 2.590 178.459 175.900 -0.053 0.000 1.137 3164 Y CA 1.336 59.403 58.100 -0.055 0.000 1.202 3164 Y CB -0.372 38.070 38.460 -0.030 0.000 0.990 3164 Y HN 0.155 nan 8.280 nan 0.000 0.537 3165 K N 0.695 121.160 120.400 0.108 0.000 2.001 3165 K HA -0.179 4.142 4.320 0.002 0.000 0.208 3165 K C 1.901 178.500 176.600 -0.001 0.000 1.048 3165 K CA 1.794 58.105 56.287 0.040 0.000 0.932 3165 K CB -0.576 31.940 32.500 0.026 0.000 0.715 3165 K HN 0.305 nan 8.250 nan 0.000 0.437 3166 M N 0.507 120.083 119.600 -0.040 0.000 2.073 3166 M HA -0.224 4.258 4.480 0.002 0.000 0.258 3166 M C 2.521 178.781 176.300 -0.066 0.000 1.070 3166 M CA 2.117 57.367 55.300 -0.084 0.000 1.103 3166 M CB -0.460 32.032 32.600 -0.179 0.000 1.321 3166 M HN 0.177 nan 8.290 nan 0.000 0.405 3167 M N 0.942 120.506 119.600 -0.061 0.000 2.082 3167 M HA -0.157 4.324 4.480 0.002 0.000 0.258 3167 M C 2.177 178.472 176.300 -0.007 0.000 1.069 3167 M CA 2.264 57.541 55.300 -0.037 0.000 1.102 3167 M CB -0.662 31.919 32.600 -0.032 0.000 1.336 3167 M HN 0.248 nan 8.290 nan 0.000 0.404 3168 A N -0.148 122.678 122.820 0.010 0.000 2.070 3168 A HA -0.129 4.192 4.320 0.002 0.000 0.220 3168 A C 1.471 179.055 177.584 0.000 0.000 1.159 3168 A CA 1.838 53.881 52.037 0.010 0.000 0.656 3168 A CB -0.899 18.109 19.000 0.013 0.000 0.800 3168 A HN 0.714 nan 8.150 nan 0.000 0.453 3169 N N -0.774 117.922 118.700 -0.007 0.000 2.276 3169 N HA 0.222 4.964 4.740 0.002 0.000 0.212 3169 N C 1.121 176.627 175.510 -0.005 0.000 1.127 3169 N CA 0.793 53.839 53.050 -0.007 0.000 0.834 3169 N CB 0.259 38.739 38.487 -0.010 0.000 1.014 3169 N HN 0.543 nan 8.380 nan 0.000 0.491 3170 G N 1.218 110.015 108.800 -0.005 0.000 2.205 3170 G HA2 -0.349 3.612 3.960 0.002 0.000 0.269 3170 G HA3 -0.349 3.612 3.960 0.002 0.000 0.269 3170 G C 1.041 175.942 174.900 0.002 0.000 0.977 3170 G CA 0.794 45.895 45.100 0.002 0.000 0.652 3170 G HN 0.449 nan 8.290 nan 0.000 0.539 3171 I N -0.080 120.480 120.570 -0.017 0.000 2.226 3171 I HA 0.026 4.198 4.170 0.002 0.000 0.245 3171 I C 1.762 177.855 176.117 -0.041 0.000 1.100 3171 I CA 0.404 61.691 61.300 -0.023 0.000 1.374 3171 I CB -0.240 37.720 38.000 -0.066 0.000 1.057 3171 I HN 0.178 nan 8.210 nan 0.000 0.413 3172 L N 3.458 124.621 121.223 -0.100 0.000 2.584 3172 L HA -0.059 4.282 4.340 0.002 0.000 0.272 3172 L C 0.947 177.857 176.870 0.066 0.000 1.195 3172 L CA 0.958 55.740 54.840 -0.096 0.000 0.920 3172 L CB 0.425 42.425 42.059 -0.098 0.000 1.173 3172 L HN 0.354 nan 8.230 nan 0.000 0.489 3173 K N 4.119 124.660 120.400 0.234 0.000 2.399 3173 K HA 0.133 4.454 4.320 0.002 0.000 0.196 3173 K C 0.121 176.797 176.600 0.127 0.000 1.103 3173 K CA 0.155 56.541 56.287 0.166 0.000 0.986 3173 K CB 0.884 33.475 32.500 0.152 0.000 0.952 3173 K HN 0.440 nan 8.250 nan 0.000 0.541 3174 V N 4.416 124.428 119.914 0.164 0.000 2.495 3174 V HA 0.378 4.499 4.120 0.002 0.000 0.298 3174 V C -2.762 173.383 176.094 0.086 0.000 1.031 3174 V CA -2.686 59.672 62.300 0.097 0.000 0.871 3174 V CB 1.966 33.827 31.823 0.063 0.000 0.988 3174 V HN -0.050 nan 8.190 nan 0.000 0.432 3175 P HA 0.319 nan 4.420 nan 0.000 0.267 3175 P C -0.667 176.667 177.300 0.057 0.000 1.200 3175 P CA 0.166 63.336 63.100 0.117 0.000 0.772 3175 P CB 1.130 32.942 31.700 0.186 0.000 0.855 3176 A N 3.037 125.884 122.820 0.044 0.000 2.435 3176 A HA 0.798 5.120 4.320 0.002 0.000 0.296 3176 A C -0.786 176.775 177.584 -0.038 0.000 1.147 3176 A CA -0.875 51.138 52.037 -0.041 0.000 0.775 3176 A CB 1.319 20.252 19.000 -0.113 0.000 1.340 3176 A HN 0.492 nan 8.150 nan 0.000 0.427 3177 I N 1.849 122.359 120.570 -0.100 0.000 2.468 3177 I HA 0.170 4.342 4.170 0.002 0.000 0.284 3177 I C -0.764 175.303 176.117 -0.084 0.000 1.038 3177 I CA -0.642 60.598 61.300 -0.100 0.000 1.083 3177 I CB 1.783 39.688 38.000 -0.159 0.000 1.223 3177 I HN 0.727 nan 8.210 nan 0.000 0.443 3178 N N 6.310 124.946 118.700 -0.107 0.000 2.402 3178 N HA 0.055 4.796 4.740 0.002 0.000 0.259 3178 N C 0.197 175.750 175.510 0.072 0.000 1.167 3178 N CA 0.278 53.282 53.050 -0.077 0.000 0.949 3178 N CB 1.304 39.670 38.487 -0.201 0.000 1.212 3178 N HN 0.406 nan 8.380 nan 0.000 0.493 3179 V N 3.569 123.520 119.914 0.061 0.000 3.608 3179 V HA 0.015 4.136 4.120 0.002 0.000 0.269 3179 V C 1.806 177.965 176.094 0.108 0.000 1.245 3179 V CA 0.343 62.699 62.300 0.094 0.000 1.138 3179 V CB -0.668 31.196 31.823 0.068 0.000 0.841 3179 V HN 0.677 nan 8.190 nan 0.000 0.451 3180 N N 0.850 119.612 118.700 0.102 0.000 2.244 3180 N HA -0.129 4.613 4.740 0.002 0.000 0.183 3180 N C 1.313 176.898 175.510 0.125 0.000 1.016 3180 N CA 1.529 54.638 53.050 0.098 0.000 0.866 3180 N CB -0.040 38.489 38.487 0.070 0.000 0.980 3180 N HN 0.423 nan 8.380 nan 0.000 0.430 3181 D N -0.223 120.298 120.400 0.202 0.000 2.325 3181 D HA 0.087 4.728 4.640 0.002 0.000 0.225 3181 D C -0.323 176.065 176.300 0.147 0.000 1.096 3181 D CA 0.092 54.225 54.000 0.222 0.000 0.844 3181 D CB 0.217 41.285 40.800 0.448 0.000 0.925 3181 D HN 0.139 nan 8.370 nan 0.000 0.513 3182 S N 0.146 115.922 115.700 0.127 0.000 2.576 3182 S HA 0.021 4.492 4.470 0.002 0.000 0.276 3182 S C 1.800 176.420 174.600 0.032 0.000 1.339 3182 S CA -0.513 57.732 58.200 0.075 0.000 1.039 3182 S CB 2.295 65.539 63.200 0.073 0.000 0.902 3182 S HN 0.165 nan 8.310 nan 0.000 0.516 3183 V N 2.106 122.007 119.914 -0.021 0.000 2.453 3183 V HA -0.124 3.997 4.120 0.002 0.000 0.247 3183 V C 2.038 178.122 176.094 -0.018 0.000 1.048 3183 V CA 2.207 64.470 62.300 -0.062 0.000 1.049 3183 V CB -1.553 30.136 31.823 -0.223 0.000 0.672 3183 V HN 1.031 nan 8.190 nan 0.000 0.457 3184 T N -2.581 111.977 114.554 0.008 0.000 2.915 3184 T HA -0.103 4.248 4.350 0.002 0.000 0.269 3184 T C 1.951 176.746 174.700 0.159 0.000 1.071 3184 T CA 1.448 63.615 62.100 0.113 0.000 1.132 3184 T CB -0.340 68.537 68.868 0.016 0.000 0.878 3184 T HN 0.469 nan 8.240 nan 0.000 0.479 3185 K N 1.923 122.369 120.400 0.077 0.000 1.995 3185 K HA -0.036 4.285 4.320 0.002 0.000 0.207 3185 K C 2.813 179.464 176.600 0.084 0.000 1.041 3185 K CA 1.784 58.114 56.287 0.072 0.000 0.942 3185 K CB -0.831 31.708 32.500 0.064 0.000 0.731 3185 K HN 0.522 nan 8.250 nan 0.000 0.439 3186 S N 1.565 117.296 115.700 0.052 0.000 2.359 3186 S HA -0.139 4.332 4.470 0.002 0.000 0.223 3186 S C 1.944 176.517 174.600 -0.044 0.000 1.039 3186 S CA 1.112 59.319 58.200 0.013 0.000 1.042 3186 S CB -0.371 62.831 63.200 0.003 0.000 0.915 3186 S HN 0.231 nan 8.310 nan 0.000 0.439 3187 K N 0.285 120.640 120.400 -0.075 0.000 2.103 3187 K HA -0.033 4.288 4.320 0.002 0.000 0.207 3187 K C 1.810 178.219 176.600 -0.318 0.000 1.048 3187 K CA 1.351 57.479 56.287 -0.265 0.000 0.930 3187 K CB -0.447 31.897 32.500 -0.260 0.000 0.716 3187 K HN 0.488 nan 8.250 nan 0.000 0.444 3188 F N 1.160 121.096 119.950 -0.023 0.000 2.179 3188 F HA -0.102 4.427 4.527 0.003 0.000 0.292 3188 F C 2.337 178.041 175.800 -0.161 0.000 1.089 3188 F CA 1.073 59.081 58.000 0.013 0.000 1.295 3188 F CB -0.359 38.627 39.000 -0.022 0.000 1.041 3188 F HN 0.016 nan 8.300 nan 0.000 0.487 3189 D N -0.007 120.417 120.400 0.040 0.000 2.097 3189 D HA -0.163 4.478 4.640 0.002 0.000 0.195 3189 D C 1.758 178.015 176.300 -0.072 0.000 0.989 3189 D CA 1.617 55.596 54.000 -0.036 0.000 0.827 3189 D CB -0.151 40.684 40.800 0.057 0.000 0.966 3189 D HN 0.109 nan 8.370 nan 0.000 0.456 3190 N N 0.117 118.775 118.700 -0.071 0.000 2.240 3190 N HA -0.066 4.676 4.740 0.002 0.000 0.187 3190 N C 1.775 177.187 175.510 -0.163 0.000 1.042 3190 N CA 0.146 53.146 53.050 -0.082 0.000 0.861 3190 N CB -0.753 37.684 38.487 -0.085 0.000 1.026 3190 N HN 0.166 nan 8.380 nan 0.000 0.441 3191 L N 0.910 121.960 121.223 -0.288 0.000 1.950 3191 L HA -0.083 4.258 4.340 0.002 0.000 0.210 3191 L C 2.132 178.797 176.870 -0.342 0.000 1.079 3191 L CA 1.871 56.463 54.840 -0.414 0.000 0.754 3191 L CB -1.359 40.264 42.059 -0.726 0.000 0.889 3191 L HN 0.059 nan 8.230 nan 0.000 0.433 3192 Y N 0.376 120.518 120.300 -0.263 0.000 2.224 3192 Y HA -0.093 4.459 4.550 0.002 0.000 0.289 3192 Y C 2.579 178.382 175.900 -0.161 0.000 1.146 3192 Y CA 0.962 58.914 58.100 -0.246 0.000 1.182 3192 Y CB -1.464 36.727 38.460 -0.450 0.000 0.983 3192 Y HN 0.271 nan 8.280 nan 0.000 0.524 3193 G N -0.843 107.883 108.800 -0.124 0.000 2.484 3193 G HA2 -0.248 3.714 3.960 0.002 0.000 0.215 3193 G HA3 -0.248 3.714 3.960 0.002 0.000 0.215 3193 G C 1.752 176.655 174.900 0.005 0.000 1.219 3193 G CA 1.368 46.250 45.100 -0.363 0.000 0.791 3193 G HN 0.476 nan 8.290 nan 0.000 0.550 3194 C N 0.026 119.376 119.300 0.083 0.000 2.410 3194 C HA 0.068 4.530 4.460 0.002 0.000 0.281 3194 C C 2.768 177.810 174.990 0.087 0.000 1.318 3194 C CA 0.673 59.788 59.018 0.160 0.000 1.776 3194 C CB -1.027 26.771 27.740 0.097 0.000 1.942 3194 C HN 0.526 nan 8.230 nan 0.000 0.508 3195 R N 1.025 121.557 120.500 0.053 0.000 2.081 3195 R HA -0.112 4.229 4.340 0.002 0.000 0.235 3195 R C 2.201 178.559 176.300 0.096 0.000 1.131 3195 R CA 1.337 57.474 56.100 0.062 0.000 0.960 3195 R CB -0.088 30.250 30.300 0.062 0.000 0.856 3195 R HN 0.595 nan 8.270 nan 0.000 0.436 3196 E N -0.046 120.217 120.200 0.106 0.000 2.033 3196 E HA -0.096 4.255 4.350 0.002 0.000 0.189 3196 E C 1.979 178.654 176.600 0.126 0.000 0.979 3196 E CA 1.595 58.064 56.400 0.115 0.000 0.802 3196 E CB -0.103 29.664 29.700 0.113 0.000 0.763 3196 E HN 0.399 nan 8.360 nan 0.000 0.449 3197 S N 1.668 117.453 115.700 0.143 0.000 2.436 3197 S HA -0.077 4.394 4.470 0.002 0.000 0.228 3197 S C 2.108 176.756 174.600 0.081 0.000 1.014 3197 S CA 0.411 58.681 58.200 0.116 0.000 0.950 3197 S CB -0.395 62.883 63.200 0.129 0.000 0.784 3197 S HN 0.120 nan 8.310 nan 0.000 0.504 3198 L N 2.772 124.044 121.223 0.082 0.000 1.963 3198 L HA -0.135 4.207 4.340 0.002 0.000 0.220 3198 L C 2.119 179.013 176.870 0.040 0.000 1.076 3198 L CA 1.939 56.811 54.840 0.053 0.000 0.772 3198 L CB -0.881 41.209 42.059 0.052 0.000 0.892 3198 L HN 0.285 nan 8.230 nan 0.000 0.435 3199 I N -0.406 120.197 120.570 0.056 0.000 2.454 3199 I HA -0.237 3.935 4.170 0.002 0.000 0.254 3199 I C 2.215 178.326 176.117 -0.010 0.000 1.156 3199 I CA 1.456 62.757 61.300 0.002 0.000 1.433 3199 I CB -1.290 36.724 38.000 0.023 0.000 1.082 3199 I HN 0.434 nan 8.210 nan 0.000 0.432 3200 D N 1.410 121.832 120.400 0.037 0.000 2.123 3200 D HA -0.128 4.513 4.640 0.002 0.000 0.196 3200 D C 2.199 178.507 176.300 0.013 0.000 0.992 3200 D CA 1.620 55.639 54.000 0.032 0.000 0.833 3200 D CB -0.168 40.665 40.800 0.054 0.000 0.954 3200 D HN 0.316 nan 8.370 nan 0.000 0.455 3201 G N 0.920 109.729 108.800 0.015 0.000 2.511 3201 G HA2 -0.230 3.731 3.960 0.002 0.000 0.216 3201 G HA3 -0.230 3.731 3.960 0.002 0.000 0.216 3201 G C 1.926 176.827 174.900 0.001 0.000 1.218 3201 G CA 0.965 46.072 45.100 0.011 0.000 0.788 3201 G HN 0.359 nan 8.290 nan 0.000 0.560 3202 I N 0.537 121.103 120.570 -0.008 0.000 2.185 3202 I HA -0.232 3.939 4.170 0.002 0.000 0.246 3202 I C 2.828 178.924 176.117 -0.036 0.000 1.088 3202 I CA 1.326 62.614 61.300 -0.019 0.000 1.347 3202 I CB -0.176 37.801 38.000 -0.038 0.000 1.041 3202 I HN 0.055 nan 8.210 nan 0.000 0.415 3203 K N 0.686 121.052 120.400 -0.057 0.000 2.062 3203 K HA -0.072 4.249 4.320 0.002 0.000 0.205 3203 K C 2.176 178.760 176.600 -0.028 0.000 1.051 3203 K CA 1.217 57.466 56.287 -0.063 0.000 0.941 3203 K CB -0.369 32.080 32.500 -0.085 0.000 0.719 3203 K HN 0.355 nan 8.250 nan 0.000 0.440 3204 R N 0.263 120.755 120.500 -0.012 0.000 2.120 3204 R HA -0.042 4.299 4.340 0.002 0.000 0.234 3204 R C 2.151 178.452 176.300 0.002 0.000 1.123 3204 R CA 1.170 57.270 56.100 0.000 0.000 0.975 3204 R CB -0.121 30.185 30.300 0.010 0.000 0.866 3204 R HN 0.150 nan 8.270 nan 0.000 0.446 3205 A N -0.039 122.782 122.820 0.002 0.000 1.943 3205 A HA -0.065 4.257 4.320 0.002 0.000 0.213 3205 A C 1.986 179.572 177.584 0.003 0.000 1.181 3205 A CA 1.487 53.528 52.037 0.007 0.000 0.653 3205 A CB 0.011 19.020 19.000 0.015 0.000 0.833 3205 A HN 0.418 nan 8.150 nan 0.000 0.451 3206 T N -6.104 108.448 114.554 -0.004 0.000 2.954 3206 T HA 0.160 4.511 4.350 0.002 0.000 0.252 3206 T C 0.162 174.853 174.700 -0.015 0.000 0.983 3206 T CA 0.761 62.857 62.100 -0.006 0.000 0.941 3206 T CB 0.123 68.990 68.868 -0.002 0.000 1.141 3206 T HN 0.223 nan 8.240 nan 0.000 0.500 3207 D N 0.751 121.136 120.400 -0.025 0.000 2.751 3207 D HA -0.120 4.522 4.640 0.002 0.000 0.233 3207 D C -0.208 176.070 176.300 -0.037 0.000 1.149 3207 D CA 0.405 54.387 54.000 -0.030 0.000 0.682 3207 D CB -1.597 39.193 40.800 -0.016 0.000 1.068 3207 D HN 0.492 nan 8.370 nan 0.000 0.429 3208 V N 0.831 120.716 119.914 -0.048 0.000 2.509 3208 V HA 0.297 4.418 4.120 0.002 0.000 0.284 3208 V C 0.722 176.771 176.094 -0.075 0.000 1.047 3208 V CA -0.616 61.656 62.300 -0.047 0.000 0.952 3208 V CB 1.619 33.422 31.823 -0.034 0.000 0.988 3208 V HN 0.231 nan 8.190 nan 0.000 0.469 3209 M N 6.678 126.246 119.600 -0.052 0.000 2.246 3209 M HA 0.183 4.665 4.480 0.002 0.000 0.350 3209 M C 0.352 176.613 176.300 -0.064 0.000 1.406 3209 M CA 0.214 55.482 55.300 -0.053 0.000 1.089 3209 M CB 0.540 33.131 32.600 -0.016 0.000 1.782 3209 M HN 0.602 nan 8.290 nan 0.000 0.457 3210 I N 3.665 124.173 120.570 -0.103 0.000 2.585 3210 I HA 0.123 4.295 4.170 0.002 0.000 0.254 3210 I C 1.285 177.414 176.117 0.019 0.000 1.129 3210 I CA 0.503 61.755 61.300 -0.079 0.000 1.455 3210 I CB -1.794 36.089 38.000 -0.195 0.000 1.111 3210 I HN 0.797 nan 8.210 nan 0.000 0.433 3211 A N 0.550 123.410 122.820 0.066 0.000 2.531 3211 A HA 0.382 4.704 4.320 0.002 0.000 0.236 3211 A C 1.560 179.169 177.584 0.042 0.000 1.062 3211 A CA 0.775 52.860 52.037 0.081 0.000 0.760 3211 A CB -0.450 18.607 19.000 0.095 0.000 0.995 3211 A HN 0.802 nan 8.150 nan 0.000 0.501 3212 G N 0.910 109.733 108.800 0.038 0.000 2.162 3212 G HA2 -0.243 3.718 3.960 0.002 0.000 0.260 3212 G HA3 -0.243 3.718 3.960 0.002 0.000 0.260 3212 G C 0.297 175.204 174.900 0.012 0.000 0.976 3212 G CA 0.996 46.109 45.100 0.022 0.000 0.655 3212 G HN 0.855 nan 8.290 nan 0.000 0.533 3213 K N -0.395 120.010 120.400 0.009 0.000 2.166 3213 K HA 0.630 4.952 4.320 0.002 0.000 0.245 3213 K C -0.047 176.541 176.600 -0.020 0.000 0.967 3213 K CA -0.791 55.492 56.287 -0.008 0.000 0.863 3213 K CB 2.206 34.697 32.500 -0.014 0.000 1.107 3213 K HN -0.010 nan 8.250 nan 0.000 0.436 3214 V N 2.217 122.103 119.914 -0.047 0.000 2.364 3214 V HA 0.352 4.473 4.120 0.002 0.000 0.272 3214 V C -0.286 175.715 176.094 -0.154 0.000 1.036 3214 V CA -0.706 61.547 62.300 -0.080 0.000 0.880 3214 V CB 0.939 32.711 31.823 -0.084 0.000 0.991 3214 V HN 0.817 nan 8.190 nan 0.000 0.460 3215 A N 5.172 127.907 122.820 -0.142 0.000 2.288 3215 A HA 0.793 5.114 4.320 0.002 0.000 0.320 3215 A C -0.625 176.808 177.584 -0.250 0.000 1.217 3215 A CA -0.510 51.408 52.037 -0.199 0.000 0.840 3215 A CB 1.352 20.294 19.000 -0.098 0.000 1.179 3215 A HN 0.626 nan 8.150 nan 0.000 0.504 3216 V N 3.871 123.534 119.914 -0.417 0.000 2.328 3216 V HA 0.315 4.436 4.120 0.002 0.000 0.278 3216 V C -0.282 175.701 176.094 -0.186 0.000 1.021 3216 V CA -0.406 61.688 62.300 -0.344 0.000 0.838 3216 V CB 1.198 32.697 31.823 -0.541 0.000 0.999 3216 V HN 0.609 nan 8.190 nan 0.000 0.447 3217 V N 4.497 124.340 119.914 -0.118 0.000 2.350 3217 V HA 0.601 4.723 4.120 0.002 0.000 0.276 3217 V C 0.640 176.713 176.094 -0.034 0.000 1.028 3217 V CA -0.612 61.650 62.300 -0.063 0.000 0.860 3217 V CB 1.499 33.279 31.823 -0.072 0.000 0.990 3217 V HN 0.910 nan 8.190 nan 0.000 0.453 3218 A N 4.365 127.182 122.820 -0.005 0.000 2.343 3218 A HA 0.752 5.074 4.320 0.002 0.000 0.305 3218 A C 0.768 178.357 177.584 0.009 0.000 1.308 3218 A CA 0.463 52.500 52.037 0.000 0.000 0.949 3218 A CB -0.403 18.601 19.000 0.007 0.000 1.148 3218 A HN 1.958 nan 8.150 nan 0.000 0.545 3219 G N 0.607 109.419 108.800 0.021 0.000 2.906 3219 G HA2 0.020 3.981 3.960 0.002 0.000 0.686 3219 G HA3 0.020 3.981 3.960 0.002 0.000 0.686 3219 G C -0.780 174.169 174.900 0.082 0.000 1.170 3219 G CA -0.391 44.732 45.100 0.038 0.000 0.775 3219 G HN 1.324 nan 8.290 nan 0.000 0.630 3220 Y N 2.488 122.749 120.300 -0.065 0.000 2.669 3220 Y HA 0.526 5.081 4.550 0.008 0.000 0.302 3220 Y C 1.266 177.129 175.900 -0.062 0.000 1.000 3220 Y CA 0.284 58.336 58.100 -0.080 0.000 1.222 3220 Y CB 0.082 38.496 38.460 -0.077 0.000 1.209 3220 Y HN 0.936 nan 8.280 nan 0.000 0.571 3221 G N 0.006 108.722 108.800 -0.140 0.000 2.504 3221 G HA2 -0.001 3.960 3.960 0.002 0.000 0.257 3221 G HA3 -0.001 3.960 3.960 0.002 0.000 0.257 3221 G C 0.484 175.229 174.900 -0.258 0.000 1.451 3221 G CA 0.000 45.008 45.100 -0.154 0.000 1.059 3221 G HN 0.210 nan 8.290 nan 0.000 0.550 3222 D N -1.238 119.044 120.400 -0.196 0.000 2.123 3222 D HA -0.123 4.518 4.640 0.002 0.000 0.196 3222 D C 2.682 178.845 176.300 -0.229 0.000 0.992 3222 D CA 0.788 54.650 54.000 -0.231 0.000 0.833 3222 D CB -0.272 40.419 40.800 -0.182 0.000 0.954 3222 D HN 0.046 nan 8.370 nan 0.000 0.455 3223 V N 0.538 120.356 119.914 -0.159 0.000 2.270 3223 V HA -0.124 3.997 4.120 0.002 0.000 0.245 3223 V C 2.531 178.539 176.094 -0.144 0.000 1.043 3223 V CA 2.003 64.231 62.300 -0.119 0.000 1.014 3223 V CB -0.986 30.800 31.823 -0.061 0.000 0.645 3223 V HN 0.258 nan 8.190 nan 0.000 0.447 3224 G N -0.542 108.161 108.800 -0.161 0.000 2.442 3224 G HA2 -0.293 3.668 3.960 0.002 0.000 0.219 3224 G HA3 -0.293 3.668 3.960 0.002 0.000 0.219 3224 G C 1.677 176.406 174.900 -0.286 0.000 1.141 3224 G CA 1.097 46.099 45.100 -0.163 0.000 0.763 3224 G HN 0.460 nan 8.290 nan 0.000 0.554 3225 K N -0.108 119.995 120.400 -0.495 0.000 2.026 3225 K HA -0.011 4.310 4.320 0.002 0.000 0.208 3225 K C 2.780 179.227 176.600 -0.254 0.000 1.048 3225 K CA 1.105 57.041 56.287 -0.586 0.000 0.929 3225 K CB -0.450 31.688 32.500 -0.603 0.000 0.713 3225 K HN 0.256 nan 8.250 nan 0.000 0.439 3226 G N 0.434 109.108 108.800 -0.210 0.000 2.402 3226 G HA2 -0.247 3.715 3.960 0.002 0.000 0.216 3226 G HA3 -0.247 3.715 3.960 0.002 0.000 0.216 3226 G C 1.599 176.469 174.900 -0.049 0.000 1.162 3226 G CA 0.986 46.016 45.100 -0.116 0.000 0.777 3226 G HN 0.335 nan 8.290 nan 0.000 0.539 3227 C N 0.852 120.116 119.300 -0.060 0.000 2.446 3227 C HA 0.218 4.679 4.460 0.002 0.000 0.277 3227 C C 3.535 178.515 174.990 -0.016 0.000 1.275 3227 C CA 0.784 59.790 59.018 -0.020 0.000 1.727 3227 C CB -0.900 26.823 27.740 -0.028 0.000 2.010 3227 C HN 0.563 nan 8.230 nan 0.000 0.486 3228 A N -0.147 122.634 122.820 -0.065 0.000 1.877 3228 A HA -0.272 4.049 4.320 0.002 0.000 0.216 3228 A C 2.152 179.765 177.584 0.048 0.000 1.186 3228 A CA 1.943 53.920 52.037 -0.099 0.000 0.620 3228 A CB -0.826 17.995 19.000 -0.300 0.000 0.822 3228 A HN 0.715 nan 8.150 nan 0.000 0.443 3229 Q N -0.589 119.259 119.800 0.080 0.000 2.061 3229 Q HA -0.170 4.171 4.340 0.002 0.000 0.204 3229 Q C 2.264 178.327 176.000 0.105 0.000 0.984 3229 Q CA 1.750 57.635 55.803 0.138 0.000 0.846 3229 Q CB -0.382 28.408 28.738 0.087 0.000 0.902 3229 Q HN 0.619 nan 8.270 nan 0.000 0.421 3230 A N 0.821 123.692 122.820 0.085 0.000 1.849 3230 A HA -0.237 4.084 4.320 0.002 0.000 0.217 3230 A C 2.070 179.770 177.584 0.193 0.000 1.202 3230 A CA 1.764 53.873 52.037 0.119 0.000 0.629 3230 A CB -1.085 17.990 19.000 0.126 0.000 0.834 3230 A HN 0.460 nan 8.150 nan 0.000 0.447 3231 L N -1.123 120.207 121.223 0.178 0.000 2.042 3231 L HA -0.223 4.119 4.340 0.002 0.000 0.210 3231 L C 2.807 179.796 176.870 0.197 0.000 1.076 3231 L CA 1.930 56.890 54.840 0.201 0.000 0.749 3231 L CB -0.473 41.645 42.059 0.099 0.000 0.893 3231 L HN 0.502 nan 8.230 nan 0.000 0.432 3232 R N 0.298 120.898 120.500 0.165 0.000 2.105 3232 R HA -0.156 4.185 4.340 0.002 0.000 0.239 3232 R C 2.153 178.505 176.300 0.086 0.000 1.135 3232 R CA 1.488 57.681 56.100 0.155 0.000 0.967 3232 R CB -0.477 29.957 30.300 0.223 0.000 0.861 3232 R HN 0.401 nan 8.270 nan 0.000 0.442 3233 G N -0.910 107.913 108.800 0.039 0.000 2.509 3233 G HA2 -0.185 3.776 3.960 0.002 0.000 0.218 3233 G HA3 -0.185 3.776 3.960 0.002 0.000 0.218 3233 G C 0.847 175.630 174.900 -0.195 0.000 1.124 3233 G CA 0.095 45.139 45.100 -0.094 0.000 0.776 3233 G HN 0.285 nan 8.290 nan 0.000 0.547 3234 F N 0.268 120.233 119.950 0.026 0.000 2.776 3234 F HA 0.336 4.862 4.527 -0.000 0.000 0.300 3234 F C 1.947 177.756 175.800 0.015 0.000 1.116 3234 F CA 0.315 58.326 58.000 0.018 0.000 1.375 3234 F CB 0.708 39.718 39.000 0.017 0.000 1.109 3234 F HN 0.237 nan 8.300 nan 0.000 0.585 3235 G N 0.055 108.947 108.800 0.153 0.000 2.148 3235 G HA2 -0.024 3.937 3.960 0.002 0.000 0.203 3235 G HA3 -0.024 3.937 3.960 0.002 0.000 0.203 3235 G C 0.238 175.191 174.900 0.089 0.000 0.993 3235 G CA -0.186 44.974 45.100 0.100 0.000 0.661 3235 G HN 0.576 nan 8.290 nan 0.000 0.518 3236 A N -0.315 122.569 122.820 0.106 0.000 2.264 3236 A HA 0.856 5.178 4.320 0.002 0.000 0.304 3236 A C 0.597 178.218 177.584 0.062 0.000 1.100 3236 A CA 0.120 52.199 52.037 0.070 0.000 0.839 3236 A CB 0.607 19.646 19.000 0.065 0.000 1.121 3236 A HN 0.904 nan 8.150 nan 0.000 0.496 3237 R N 1.563 122.084 120.500 0.035 0.000 2.369 3237 R HA 0.462 4.804 4.340 0.002 0.000 0.310 3237 R C -1.434 174.886 176.300 0.034 0.000 1.141 3237 R CA -0.267 55.855 56.100 0.037 0.000 1.116 3237 R CB 0.074 30.381 30.300 0.013 0.000 1.135 3237 R HN 0.441 nan 8.270 nan 0.000 0.529 3238 V N 6.616 126.588 119.914 0.096 0.000 2.572 3238 V HA 0.182 4.304 4.120 0.002 0.000 0.291 3238 V C 0.520 176.650 176.094 0.059 0.000 1.039 3238 V CA 0.078 62.415 62.300 0.062 0.000 1.055 3238 V CB 0.931 32.804 31.823 0.082 0.000 0.969 3238 V HN 0.669 nan 8.190 nan 0.000 0.482 3239 I N 5.885 126.428 120.570 -0.046 0.000 2.433 3239 I HA 0.468 4.639 4.170 0.002 0.000 0.292 3239 I C -0.549 175.511 176.117 -0.095 0.000 1.001 3239 I CA -0.562 60.708 61.300 -0.050 0.000 1.119 3239 I CB 1.845 39.803 38.000 -0.071 0.000 1.289 3239 I HN 0.340 nan 8.210 nan 0.000 0.438 3240 I N 4.169 124.682 120.570 -0.095 0.000 2.607 3240 I HA 0.445 4.616 4.170 0.002 0.000 0.305 3240 I C 0.385 176.458 176.117 -0.073 0.000 0.995 3240 I CA -0.379 60.854 61.300 -0.112 0.000 1.148 3240 I CB 1.909 39.790 38.000 -0.198 0.000 1.323 3240 I HN 0.574 nan 8.210 nan 0.000 0.461 3241 T N 1.877 116.401 114.554 -0.049 0.000 2.876 3241 T HA 0.720 5.072 4.350 0.002 0.000 0.289 3241 T C -0.594 174.097 174.700 -0.014 0.000 1.014 3241 T CA -0.577 61.502 62.100 -0.035 0.000 0.986 3241 T CB 2.902 71.748 68.868 -0.036 0.000 1.021 3241 T HN 0.603 nan 8.240 nan 0.000 0.458 3242 E N 1.299 121.493 120.200 -0.011 0.000 2.407 3242 E HA 0.337 4.688 4.350 0.002 0.000 0.279 3242 E C 0.100 176.702 176.600 0.002 0.000 1.012 3242 E CA -0.513 55.891 56.400 0.006 0.000 0.800 3242 E CB 2.051 31.761 29.700 0.016 0.000 1.276 3242 E HN 0.810 nan 8.360 nan 0.000 0.452 3243 I N -2.490 118.085 120.570 0.008 0.000 4.187 3243 I HA 0.349 4.520 4.170 0.002 0.000 0.326 3243 I C 0.579 176.699 176.117 0.005 0.000 1.302 3243 I CA -0.014 61.288 61.300 0.004 0.000 1.196 3243 I CB 0.555 38.558 38.000 0.004 0.000 1.095 3243 I HN 0.073 nan 8.210 nan 0.000 0.411 3244 D N 3.142 123.549 120.400 0.012 0.000 2.274 3244 D HA 0.256 4.898 4.640 0.002 0.000 0.239 3244 D C -1.589 174.719 176.300 0.013 0.000 1.104 3244 D CA -2.461 51.547 54.000 0.013 0.000 0.840 3244 D CB 2.075 42.887 40.800 0.020 0.000 1.100 3244 D HN -0.036 nan 8.370 nan 0.000 0.477 3245 P HA -0.101 nan 4.420 nan 0.000 0.218 3245 P C 1.757 179.061 177.300 0.006 0.000 1.149 3245 P CA 0.788 63.889 63.100 0.002 0.000 0.817 3245 P CB 0.608 32.306 31.700 -0.002 0.000 0.785 3246 I N -0.309 120.269 120.570 0.014 0.000 2.286 3246 I HA -0.204 3.967 4.170 0.002 0.000 0.245 3246 I C 2.021 178.165 176.117 0.046 0.000 1.104 3246 I CA 1.379 62.692 61.300 0.020 0.000 1.397 3246 I CB -0.762 37.247 38.000 0.016 0.000 1.072 3246 I HN -0.089 nan 8.210 nan 0.000 0.417 3247 N N 1.128 119.868 118.700 0.066 0.000 2.188 3247 N HA -0.090 4.651 4.740 0.002 0.000 0.184 3247 N C 1.897 177.471 175.510 0.107 0.000 1.018 3247 N CA 1.406 54.545 53.050 0.148 0.000 0.858 3247 N CB -0.289 38.288 38.487 0.150 0.000 0.989 3247 N HN 0.302 nan 8.380 nan 0.000 0.426 3248 A N 0.773 123.609 122.820 0.027 0.000 1.902 3248 A HA -0.092 4.229 4.320 0.002 0.000 0.217 3248 A C 2.180 179.724 177.584 -0.067 0.000 1.181 3248 A CA 1.098 53.109 52.037 -0.043 0.000 0.623 3248 A CB -0.825 18.159 19.000 -0.027 0.000 0.818 3248 A HN 0.344 nan 8.150 nan 0.000 0.443 3249 L N -0.640 120.567 121.223 -0.026 0.000 2.056 3249 L HA -0.213 4.128 4.340 0.002 0.000 0.207 3249 L C 2.569 179.424 176.870 -0.024 0.000 1.078 3249 L CA 1.953 56.778 54.840 -0.025 0.000 0.749 3249 L CB -0.444 41.610 42.059 -0.008 0.000 0.901 3249 L HN 0.464 nan 8.230 nan 0.000 0.433 3250 Q N -0.185 119.625 119.800 0.017 0.000 2.152 3250 Q HA -0.257 4.084 4.340 0.002 0.000 0.206 3250 Q C 2.256 178.259 176.000 0.004 0.000 0.985 3250 Q CA 1.803 57.653 55.803 0.079 0.000 0.863 3250 Q CB -0.350 28.525 28.738 0.228 0.000 0.904 3250 Q HN 0.767 nan 8.270 nan 0.000 0.422 3251 A N 0.778 123.424 122.820 -0.291 0.000 1.897 3251 A HA -0.019 4.302 4.320 0.002 0.000 0.215 3251 A C 2.279 179.781 177.584 -0.136 0.000 1.181 3251 A CA 1.337 53.038 52.037 -0.560 0.000 0.620 3251 A CB -0.625 17.758 19.000 -1.027 0.000 0.821 3251 A HN 0.389 nan 8.150 nan 0.000 0.443 3252 A N -0.719 122.030 122.820 -0.117 0.000 1.877 3252 A HA -0.120 4.202 4.320 0.002 0.000 0.216 3252 A C 2.043 179.587 177.584 -0.067 0.000 1.186 3252 A CA 1.923 53.918 52.037 -0.071 0.000 0.620 3252 A CB -0.497 18.468 19.000 -0.058 0.000 0.822 3252 A HN 0.389 nan 8.150 nan 0.000 0.443 3253 M N -0.683 118.888 119.600 -0.049 0.000 2.539 3253 M HA -0.059 4.422 4.480 0.002 0.000 0.261 3253 M C 1.215 177.484 176.300 -0.053 0.000 1.069 3253 M CA 1.170 56.448 55.300 -0.038 0.000 1.081 3253 M CB -1.043 31.550 32.600 -0.011 0.000 1.412 3253 M HN 0.356 nan 8.290 nan 0.000 0.482 3254 E N -0.821 119.335 120.200 -0.073 0.000 2.481 3254 E HA 0.291 4.642 4.350 0.002 0.000 0.198 3254 E C 1.186 177.567 176.600 -0.365 0.000 1.027 3254 E CA 0.577 56.891 56.400 -0.143 0.000 0.900 3254 E CB 0.097 29.792 29.700 -0.007 0.000 0.993 3254 E HN 0.525 nan 8.360 nan 0.000 0.482 3255 G N -0.276 108.350 108.800 -0.289 0.000 2.176 3255 G HA2 -0.273 3.688 3.960 0.002 0.000 0.232 3255 G HA3 -0.273 3.688 3.960 0.002 0.000 0.232 3255 G C -0.308 174.397 174.900 -0.325 0.000 0.986 3255 G CA -0.071 44.844 45.100 -0.309 0.000 0.643 3255 G HN 0.174 nan 8.290 nan 0.000 0.522 3256 Y N 1.270 121.511 120.300 -0.098 0.000 2.299 3256 Y HA 0.537 5.084 4.550 -0.005 0.000 0.326 3256 Y C 0.799 176.630 175.900 -0.115 0.000 1.164 3256 Y CA -0.683 57.350 58.100 -0.112 0.000 1.234 3256 Y CB 0.841 39.198 38.460 -0.171 0.000 1.219 3256 Y HN 0.331 nan 8.280 nan 0.000 0.497 3257 E N 1.905 122.152 120.200 0.079 0.000 2.331 3257 E HA 0.473 4.825 4.350 0.002 0.000 0.272 3257 E C -1.593 175.002 176.600 -0.009 0.000 1.036 3257 E CA -0.465 55.942 56.400 0.012 0.000 0.864 3257 E CB 0.760 30.461 29.700 0.002 0.000 1.035 3257 E HN 0.439 nan 8.360 nan 0.000 0.408 3258 V N 5.069 124.964 119.914 -0.031 0.000 2.407 3258 V HA 0.382 4.503 4.120 0.002 0.000 0.291 3258 V C -0.140 175.933 176.094 -0.036 0.000 1.018 3258 V CA -0.444 61.828 62.300 -0.048 0.000 0.842 3258 V CB 1.235 33.019 31.823 -0.065 0.000 0.996 3258 V HN 0.936 nan 8.190 nan 0.000 0.426 3259 T N 0.761 115.294 114.554 -0.036 0.000 2.669 3259 T HA 0.608 4.960 4.350 0.002 0.000 0.283 3259 T C -0.010 174.673 174.700 -0.029 0.000 1.019 3259 T CA -0.683 61.401 62.100 -0.027 0.000 1.039 3259 T CB 1.774 70.628 68.868 -0.023 0.000 1.374 3259 T HN 0.642 nan 8.240 nan 0.000 0.523 3260 T N -0.867 113.673 114.554 -0.024 0.000 2.928 3260 T HA 0.424 4.775 4.350 0.002 0.000 0.284 3260 T C 1.156 175.828 174.700 -0.048 0.000 1.008 3260 T CA -0.791 61.293 62.100 -0.026 0.000 1.057 3260 T CB 1.086 69.948 68.868 -0.010 0.000 1.018 3260 T HN 0.491 nan 8.240 nan 0.000 0.493 3261 M N 1.127 120.673 119.600 -0.090 0.000 2.202 3261 M HA -0.063 4.418 4.480 0.002 0.000 0.262 3261 M C 1.208 177.371 176.300 -0.227 0.000 1.063 3261 M CA 1.609 56.783 55.300 -0.211 0.000 1.097 3261 M CB -1.208 31.155 32.600 -0.395 0.000 1.382 3261 M HN 0.696 nan 8.290 nan 0.000 0.413 3262 D N 0.102 120.468 120.400 -0.055 0.000 2.221 3262 D HA -0.156 4.485 4.640 0.002 0.000 0.204 3262 D C 1.837 178.160 176.300 0.039 0.000 0.982 3262 D CA 1.181 55.227 54.000 0.077 0.000 0.857 3262 D CB -0.033 40.819 40.800 0.086 0.000 0.934 3262 D HN 0.520 nan 8.370 nan 0.000 0.475 3263 E N -0.293 119.912 120.200 0.007 0.000 2.206 3263 E HA 0.175 4.526 4.350 0.002 0.000 0.195 3263 E C 2.104 178.717 176.600 0.021 0.000 0.935 3263 E CA 0.460 56.870 56.400 0.016 0.000 0.875 3263 E CB -0.321 29.383 29.700 0.007 0.000 0.841 3263 E HN 0.133 nan 8.360 nan 0.000 0.477 3264 A N 2.072 124.895 122.820 0.005 0.000 1.917 3264 A HA -0.239 4.083 4.320 0.002 0.000 0.219 3264 A C 2.607 180.263 177.584 0.120 0.000 1.182 3264 A CA 1.919 53.968 52.037 0.019 0.000 0.633 3264 A CB -1.363 17.630 19.000 -0.012 0.000 0.819 3264 A HN 0.506 nan 8.150 nan 0.000 0.448 3265 C N -0.156 119.227 119.300 0.138 0.000 2.403 3265 C HA -0.123 4.338 4.460 0.002 0.000 0.279 3265 C C 2.240 177.367 174.990 0.228 0.000 1.269 3265 C CA 1.289 60.437 59.018 0.216 0.000 1.774 3265 C CB -1.418 26.281 27.740 -0.067 0.000 1.993 3265 C HN 0.610 nan 8.230 nan 0.000 0.496 3266 K N 0.747 121.227 120.400 0.134 0.000 2.486 3266 K HA 0.036 4.358 4.320 0.002 0.000 0.194 3266 K C 1.895 178.565 176.600 0.116 0.000 1.033 3266 K CA 1.017 57.374 56.287 0.118 0.000 1.004 3266 K CB -0.080 32.466 32.500 0.077 0.000 0.798 3266 K HN 0.680 nan 8.250 nan 0.000 0.495 3267 E N 0.739 121.004 120.200 0.109 0.000 2.332 3267 E HA 0.045 4.396 4.350 0.002 0.000 0.202 3267 E C 0.800 177.409 176.600 0.015 0.000 0.877 3267 E CA -0.184 56.247 56.400 0.051 0.000 0.979 3267 E CB 0.489 30.194 29.700 0.009 0.000 0.969 3267 E HN 0.265 nan 8.360 nan 0.000 0.495 3268 G N 0.353 109.126 108.800 -0.044 0.000 2.614 3268 G HA2 -0.053 3.908 3.960 0.002 0.000 0.239 3268 G HA3 -0.053 3.908 3.960 0.002 0.000 0.239 3268 G C 0.069 174.937 174.900 -0.053 0.000 1.240 3268 G CA -0.123 44.799 45.100 -0.296 0.000 0.842 3268 G HN 0.200 nan 8.290 nan 0.000 0.584 3269 N N -0.911 117.717 118.700 -0.119 0.000 2.332 3269 N HA 0.231 4.972 4.740 0.002 0.000 0.190 3269 N C 0.006 175.542 175.510 0.043 0.000 1.117 3269 N CA 0.017 53.077 53.050 0.017 0.000 0.883 3269 N CB 0.635 39.116 38.487 -0.011 0.000 1.089 3269 N HN 0.364 nan 8.380 nan 0.000 0.480 3270 I N 0.388 120.897 120.570 -0.101 0.000 2.619 3270 I HA 0.353 4.524 4.170 0.002 0.000 0.292 3270 I C -1.591 174.409 176.117 -0.195 0.000 1.100 3270 I CA -0.689 60.601 61.300 -0.017 0.000 1.043 3270 I CB 2.071 40.046 38.000 -0.041 0.000 1.239 3270 I HN -0.199 nan 8.210 nan 0.000 0.420 3271 F N 4.759 124.715 119.950 0.010 0.000 2.518 3271 F HA 0.598 5.125 4.527 -0.001 0.000 0.323 3271 F C -0.351 175.449 175.800 -0.001 0.000 1.129 3271 F CA -0.795 57.201 58.000 -0.007 0.000 0.920 3271 F CB 2.122 41.114 39.000 -0.013 0.000 1.160 3271 F HN -0.055 nan 8.300 nan 0.000 0.440 3272 V N 1.907 121.889 119.914 0.113 0.000 2.540 3272 V HA 0.563 4.684 4.120 0.002 0.000 0.302 3272 V C -0.391 175.739 176.094 0.060 0.000 1.035 3272 V CA -0.907 61.436 62.300 0.072 0.000 0.873 3272 V CB 2.097 33.934 31.823 0.022 0.000 0.992 3272 V HN 0.794 nan 8.190 nan 0.000 0.428 3273 T N -0.019 114.571 114.554 0.059 0.000 2.794 3273 T HA 0.513 4.865 4.350 0.002 0.000 0.280 3273 T C 0.295 175.012 174.700 0.028 0.000 0.987 3273 T CA -0.426 61.700 62.100 0.044 0.000 0.993 3273 T CB 1.657 70.557 68.868 0.053 0.000 0.939 3273 T HN 0.566 nan 8.240 nan 0.000 0.449 3274 T N 1.821 116.385 114.554 0.018 0.000 3.058 3274 T HA 0.136 4.487 4.350 0.002 0.000 0.278 3274 T C 1.961 176.668 174.700 0.012 0.000 0.974 3274 T CA -0.038 62.065 62.100 0.004 0.000 0.893 3274 T CB 0.086 68.943 68.868 -0.018 0.000 1.138 3274 T HN 0.724 nan 8.240 nan 0.000 0.529 3275 T N 1.297 115.865 114.554 0.023 0.000 2.544 3275 T HA -0.041 4.310 4.350 0.002 0.000 0.264 3275 T C 1.892 176.609 174.700 0.028 0.000 1.096 3275 T CA 2.140 64.255 62.100 0.025 0.000 1.181 3275 T CB -0.658 68.227 68.868 0.030 0.000 0.864 3275 T HN 0.632 nan 8.240 nan 0.000 0.415 3276 G N -0.072 108.762 108.800 0.056 0.000 2.141 3276 G HA2 -0.220 3.741 3.960 0.002 0.000 0.231 3276 G HA3 -0.220 3.741 3.960 0.002 0.000 0.231 3276 G C 0.265 175.147 174.900 -0.030 0.000 0.984 3276 G CA 0.130 45.255 45.100 0.041 0.000 0.660 3276 G HN 0.974 nan 8.290 nan 0.000 0.525 3277 C N 0.157 119.469 119.300 0.018 0.000 2.848 3277 C HA 0.905 5.367 4.460 0.002 0.000 0.317 3277 C C 1.143 176.164 174.990 0.051 0.000 1.260 3277 C CA -0.110 58.914 59.018 0.009 0.000 1.656 3277 C CB 1.303 29.046 27.740 0.005 0.000 2.174 3277 C HN 1.523 nan 8.230 nan 0.000 0.479 3278 V N 1.408 121.351 119.914 0.048 0.000 3.214 3278 V HA 0.523 4.644 4.120 0.002 0.000 0.306 3278 V C 0.006 176.126 176.094 0.042 0.000 1.078 3278 V CA 0.222 62.560 62.300 0.063 0.000 1.077 3278 V CB 0.729 32.588 31.823 0.060 0.000 1.121 3278 V HN 1.015 nan 8.190 nan 0.000 0.468 3279 D N 0.360 120.784 120.400 0.040 0.000 2.689 3279 D HA -0.170 4.471 4.640 0.002 0.000 0.237 3279 D C 0.680 176.990 176.300 0.018 0.000 1.148 3279 D CA 0.867 54.878 54.000 0.018 0.000 0.656 3279 D CB -0.676 40.129 40.800 0.007 0.000 1.050 3279 D HN 0.527 nan 8.370 nan 0.000 0.426 3280 I N -0.360 120.220 120.570 0.017 0.000 2.296 3280 I HA 0.009 4.180 4.170 0.002 0.000 0.242 3280 I C 1.530 177.635 176.117 -0.020 0.000 1.087 3280 I CA 0.910 62.212 61.300 0.004 0.000 1.393 3280 I CB -0.116 37.888 38.000 0.006 0.000 1.093 3280 I HN 0.135 nan 8.210 nan 0.000 0.421 3281 I N 2.656 123.185 120.570 -0.069 0.000 2.354 3281 I HA 0.227 4.398 4.170 0.002 0.000 0.286 3281 I C -0.699 175.240 176.117 -0.296 0.000 1.007 3281 I CA -0.472 60.717 61.300 -0.185 0.000 1.167 3281 I CB 1.551 39.312 38.000 -0.397 0.000 1.320 3281 I HN -0.082 nan 8.210 nan 0.000 0.458 3282 L N 4.248 125.308 121.223 -0.273 0.000 2.347 3282 L HA 0.558 4.899 4.340 0.002 0.000 0.268 3282 L C 1.682 178.015 176.870 -0.895 0.000 1.019 3282 L CA -0.099 54.420 54.840 -0.536 0.000 0.806 3282 L CB 0.643 42.404 42.059 -0.498 0.000 1.339 3282 L HN 0.584 nan 8.230 nan 0.000 0.463 3283 G N 0.089 108.274 108.800 -1.024 0.000 2.442 3283 G HA2 -0.229 3.732 3.960 0.002 0.000 0.219 3283 G HA3 -0.229 3.732 3.960 0.002 0.000 0.219 3283 G C 1.375 175.652 174.900 -1.040 0.000 1.141 3283 G CA 0.864 44.836 45.100 -1.881 0.000 0.763 3283 G HN 0.718 nan 8.290 nan 0.000 0.554 3284 R N -0.317 119.761 120.500 -0.704 0.000 2.193 3284 R HA -0.014 4.328 4.340 0.002 0.000 0.229 3284 R C 1.856 177.920 176.300 -0.393 0.000 1.110 3284 R CA 1.595 57.424 56.100 -0.452 0.000 0.988 3284 R CB -0.757 29.300 30.300 -0.405 0.000 0.871 3284 R HN 0.540 nan 8.270 nan 0.000 0.458 3285 H N -0.389 118.409 119.070 -0.453 0.000 2.329 3285 H HA 0.058 4.615 4.556 0.003 0.000 0.306 3285 H C 1.546 176.631 175.328 -0.405 0.000 1.062 3285 H CA 1.112 56.894 56.048 -0.444 0.000 1.364 3285 H CB -0.074 29.325 29.762 -0.606 0.000 1.409 3285 H HN 0.042 nan 8.280 nan 0.000 0.519 3286 F N 1.826 121.590 119.950 -0.311 0.000 2.115 3286 F HA -0.206 4.324 4.527 0.004 0.000 0.300 3286 F C 2.108 177.840 175.800 -0.113 0.000 1.092 3286 F CA 1.421 59.258 58.000 -0.272 0.000 1.245 3286 F CB -0.580 38.175 39.000 -0.409 0.000 0.995 3286 F HN 0.247 nan 8.300 nan 0.000 0.481 3287 E N -0.652 119.577 120.200 0.047 0.000 2.401 3287 E HA -0.186 4.166 4.350 0.002 0.000 0.199 3287 E C 1.879 178.523 176.600 0.073 0.000 1.023 3287 E CA 0.763 57.223 56.400 0.100 0.000 0.859 3287 E CB -0.185 29.560 29.700 0.075 0.000 0.780 3287 E HN 0.574 nan 8.360 nan 0.000 0.523 3288 Q N -0.539 119.296 119.800 0.058 0.000 2.378 3288 Q HA 0.158 4.499 4.340 0.002 0.000 0.229 3288 Q C 0.648 176.729 176.000 0.136 0.000 0.882 3288 Q CA -0.011 55.838 55.803 0.078 0.000 0.936 3288 Q CB 0.448 29.218 28.738 0.053 0.000 1.092 3288 Q HN 0.314 nan 8.270 nan 0.000 0.535 3289 M N 2.032 121.709 119.600 0.127 0.000 2.245 3289 M HA -0.010 4.471 4.480 0.002 0.000 0.335 3289 M C 0.423 176.869 176.300 0.244 0.000 1.155 3289 M CA 0.820 56.218 55.300 0.163 0.000 1.055 3289 M CB 0.303 32.949 32.600 0.076 0.000 1.670 3289 M HN -0.141 nan 8.290 nan 0.000 0.447 3290 K N 1.195 121.704 120.400 0.183 0.000 2.286 3290 K HA 0.008 4.330 4.320 0.002 0.000 0.256 3290 K C -0.385 176.123 176.600 -0.155 0.000 0.999 3290 K CA -0.364 55.951 56.287 0.047 0.000 0.908 3290 K CB 0.172 32.699 32.500 0.045 0.000 0.981 3290 K HN 0.515 nan 8.250 nan 0.000 0.500 3291 D N 1.414 121.473 120.400 -0.567 0.000 2.458 3291 D HA -0.057 4.584 4.640 0.002 0.000 0.243 3291 D C -0.208 176.001 176.300 -0.151 0.000 1.146 3291 D CA 0.779 54.459 54.000 -0.534 0.000 0.877 3291 D CB 0.179 40.652 40.800 -0.544 0.000 1.176 3291 D HN 0.448 nan 8.370 nan 0.000 0.461 3292 D N 1.197 121.568 120.400 -0.048 0.000 2.870 3292 D HA -0.182 4.459 4.640 0.002 0.000 0.228 3292 D C -0.645 175.689 176.300 0.056 0.000 1.147 3292 D CA 0.939 54.950 54.000 0.017 0.000 0.757 3292 D CB -1.195 39.606 40.800 0.001 0.000 1.091 3292 D HN 0.514 nan 8.370 nan 0.000 0.429 3293 A N 0.156 123.033 122.820 0.095 0.000 2.407 3293 A HA 0.497 4.818 4.320 0.002 0.000 0.248 3293 A C 0.751 178.446 177.584 0.184 0.000 1.082 3293 A CA -0.029 52.114 52.037 0.177 0.000 0.785 3293 A CB 0.500 19.666 19.000 0.276 0.000 1.020 3293 A HN 0.319 nan 8.150 nan 0.000 0.489 3294 I N 2.158 122.848 120.570 0.201 0.000 2.331 3294 I HA 0.348 4.519 4.170 0.002 0.000 0.292 3294 I C -0.698 175.570 176.117 0.252 0.000 0.998 3294 I CA -0.425 60.979 61.300 0.173 0.000 1.267 3294 I CB 1.579 39.645 38.000 0.111 0.000 1.386 3294 I HN 0.278 nan 8.210 nan 0.000 0.476 3295 V N 6.002 126.044 119.914 0.213 0.000 2.444 3295 V HA 0.504 4.626 4.120 0.002 0.000 0.294 3295 V C -0.189 176.008 176.094 0.172 0.000 1.022 3295 V CA -0.549 61.887 62.300 0.227 0.000 0.850 3295 V CB 1.426 33.380 31.823 0.219 0.000 0.992 3295 V HN 1.007 nan 8.190 nan 0.000 0.426 3296 C N 2.548 121.941 119.300 0.155 0.000 3.171 3296 C HA 0.924 5.385 4.460 0.002 0.000 0.308 3296 C C -0.809 174.240 174.990 0.098 0.000 1.334 3296 C CA -0.865 58.221 59.018 0.113 0.000 1.473 3296 C CB 1.573 29.365 27.740 0.086 0.000 1.866 3296 C HN 0.854 nan 8.230 nan 0.000 0.465 3297 N N -0.154 118.592 118.700 0.077 0.000 2.249 3297 N HA 0.642 5.384 4.740 0.002 0.000 0.296 3297 N C -0.754 174.765 175.510 0.016 0.000 1.051 3297 N CA -0.699 52.386 53.050 0.058 0.000 0.815 3297 N CB 1.749 40.281 38.487 0.076 0.000 1.487 3297 N HN 0.945 nan 8.380 nan 0.000 0.475 3298 I N 1.689 122.257 120.570 -0.003 0.000 4.338 3298 I HA 0.441 4.613 4.170 0.002 0.000 0.329 3298 I C 0.933 177.013 176.117 -0.061 0.000 1.378 3298 I CA -0.244 61.028 61.300 -0.047 0.000 1.170 3298 I CB 0.104 38.091 38.000 -0.022 0.000 1.206 3298 I HN 0.672 nan 8.210 nan 0.000 0.432 3299 G N 0.073 108.860 108.800 -0.021 0.000 2.672 3299 G HA2 -0.060 3.902 3.960 0.002 0.000 0.200 3299 G HA3 -0.060 3.902 3.960 0.002 0.000 0.200 3299 G C -0.357 174.559 174.900 0.025 0.000 1.819 3299 G CA 0.066 45.171 45.100 0.008 0.000 0.902 3299 G HN 0.361 nan 8.290 nan 0.000 0.512 3300 H N -0.375 118.688 119.070 -0.012 0.000 2.580 3300 H HA 0.402 4.959 4.556 0.002 0.000 0.322 3300 H C -0.690 174.689 175.328 0.085 0.000 1.082 3300 H CA -1.679 54.386 56.048 0.029 0.000 1.383 3300 H CB 0.227 30.028 29.762 0.064 0.000 1.450 3300 H HN -0.001 nan 8.280 nan 0.000 0.505 3301 F N 4.797 124.513 119.950 -0.389 0.000 2.549 3301 F HA -0.056 4.472 4.527 0.002 0.000 0.400 3301 F C 1.147 176.796 175.800 -0.251 0.000 1.011 3301 F CA 1.221 59.056 58.000 -0.276 0.000 1.148 3301 F CB -0.258 38.596 39.000 -0.243 0.000 0.993 3301 F HN 0.933 nan 8.300 nan 0.000 0.540 3302 D N 1.604 122.133 120.400 0.214 0.000 3.027 3302 D HA -0.271 4.371 4.640 0.002 0.000 0.224 3302 D C 0.726 177.085 176.300 0.098 0.000 1.193 3302 D CA 1.439 55.515 54.000 0.126 0.000 0.858 3302 D CB -1.742 39.110 40.800 0.086 0.000 1.104 3302 D HN 0.447 nan 8.370 nan 0.000 0.406 3303 V N -3.612 116.370 119.914 0.115 0.000 3.660 3303 V HA 0.192 4.313 4.120 0.002 0.000 0.276 3303 V C 1.924 178.104 176.094 0.144 0.000 1.317 3303 V CA 0.897 63.291 62.300 0.157 0.000 1.097 3303 V CB -0.036 31.950 31.823 0.271 0.000 0.863 3303 V HN 0.244 nan 8.190 nan 0.000 0.438 3304 E N 1.216 121.495 120.200 0.133 0.000 2.170 3304 E HA 0.221 4.572 4.350 0.002 0.000 0.191 3304 E C 0.454 177.096 176.600 0.070 0.000 0.981 3304 E CA 0.617 57.075 56.400 0.098 0.000 0.830 3304 E CB 0.310 30.066 29.700 0.093 0.000 0.775 3304 E HN 0.602 nan 8.360 nan 0.000 0.470 3305 I N 1.640 122.264 120.570 0.089 0.000 2.498 3305 I HA 0.097 4.269 4.170 0.002 0.000 0.301 3305 I C 0.038 176.233 176.117 0.131 0.000 0.984 3305 I CA -0.713 60.646 61.300 0.098 0.000 1.204 3305 I CB 1.361 39.451 38.000 0.150 0.000 1.362 3305 I HN -0.220 nan 8.210 nan 0.000 0.471 3306 D N 4.801 125.298 120.400 0.163 0.000 2.522 3306 D HA 0.162 4.803 4.640 0.002 0.000 0.218 3306 D C 0.803 177.279 176.300 0.292 0.000 1.149 3306 D CA -0.063 54.060 54.000 0.205 0.000 0.981 3306 D CB 0.821 41.715 40.800 0.157 0.000 1.041 3306 D HN 0.239 nan 8.370 nan 0.000 0.518 3307 V N 3.256 123.277 119.914 0.179 0.000 2.379 3307 V HA -0.146 3.975 4.120 0.002 0.000 0.245 3307 V C 2.534 178.676 176.094 0.079 0.000 1.044 3307 V CA 0.787 63.141 62.300 0.091 0.000 1.036 3307 V CB -0.336 31.538 31.823 0.084 0.000 0.664 3307 V HN 0.334 nan 8.190 nan 0.000 0.453 3308 K N -0.330 120.138 120.400 0.114 0.000 2.059 3308 K HA -0.275 4.046 4.320 0.002 0.000 0.212 3308 K C 1.865 178.526 176.600 0.102 0.000 1.050 3308 K CA 2.099 58.442 56.287 0.094 0.000 0.927 3308 K CB -0.810 31.749 32.500 0.098 0.000 0.714 3308 K HN 0.659 nan 8.250 nan 0.000 0.447 3309 W N 1.040 122.331 121.300 -0.015 0.000 2.335 3309 W HA -0.191 4.473 4.660 0.007 0.000 0.311 3309 W C 1.928 178.370 176.519 -0.129 0.000 1.213 3309 W CA 1.615 58.946 57.345 -0.024 0.000 1.274 3309 W CB -0.341 29.154 29.460 0.058 0.000 1.148 3309 W HN 0.061 nan 8.180 nan 0.000 0.498 3310 L N 0.719 122.006 121.223 0.107 0.000 2.042 3310 L HA -0.310 4.031 4.340 0.002 0.000 0.210 3310 L C 2.337 179.015 176.870 -0.320 0.000 1.076 3310 L CA 1.585 56.196 54.840 -0.382 0.000 0.749 3310 L CB -0.919 40.499 42.059 -1.068 0.000 0.893 3310 L HN 0.059 nan 8.230 nan 0.000 0.432 3311 N N 0.014 118.645 118.700 -0.115 0.000 2.084 3311 N HA -0.183 4.559 4.740 0.002 0.000 0.190 3311 N C 1.611 177.084 175.510 -0.061 0.000 1.030 3311 N CA 1.321 54.403 53.050 0.054 0.000 0.849 3311 N CB -0.134 38.395 38.487 0.069 0.000 1.012 3311 N HN 0.428 nan 8.380 nan 0.000 0.423 3312 E N -0.114 119.992 120.200 -0.158 0.000 2.481 3312 E HA 0.102 4.453 4.350 0.002 0.000 0.195 3312 E C 0.538 176.921 176.600 -0.362 0.000 1.047 3312 E CA 0.288 56.561 56.400 -0.213 0.000 0.867 3312 E CB 0.123 29.716 29.700 -0.179 0.000 0.858 3312 E HN 0.436 nan 8.360 nan 0.000 0.513 3313 N N -0.043 118.314 118.700 -0.571 0.000 2.145 3313 N HA 0.125 4.867 4.740 0.002 0.000 0.219 3313 N C -0.011 175.230 175.510 -0.449 0.000 1.266 3313 N CA -0.069 52.565 53.050 -0.694 0.000 0.902 3313 N CB 1.123 38.717 38.487 -1.488 0.000 1.078 3313 N HN -0.072 nan 8.380 nan 0.000 0.513 3314 A N 0.876 123.527 122.820 -0.282 0.000 2.371 3314 A HA 0.318 4.639 4.320 0.002 0.000 0.257 3314 A C 1.413 178.968 177.584 -0.049 0.000 1.089 3314 A CA -0.235 51.754 52.037 -0.081 0.000 0.794 3314 A CB 0.769 19.854 19.000 0.141 0.000 1.029 3314 A HN -0.051 nan 8.150 nan 0.000 0.488 3315 V N 1.038 120.941 119.914 -0.018 0.000 2.788 3315 V HA 0.023 4.144 4.120 0.002 0.000 0.251 3315 V C 0.785 176.871 176.094 -0.013 0.000 1.068 3315 V CA 1.669 63.957 62.300 -0.020 0.000 1.090 3315 V CB -0.882 30.936 31.823 -0.008 0.000 0.710 3315 V HN 0.884 nan 8.190 nan 0.000 0.467 3316 E N -0.648 119.552 120.200 -0.000 0.000 2.433 3316 E HA 0.591 4.942 4.350 0.002 0.000 0.278 3316 E C -0.913 175.654 176.600 -0.055 0.000 0.976 3316 E CA -0.834 55.550 56.400 -0.026 0.000 0.793 3316 E CB 2.808 32.494 29.700 -0.024 0.000 1.311 3316 E HN 0.122 nan 8.360 nan 0.000 0.460 3317 K N 0.970 121.288 120.400 -0.136 0.000 2.588 3317 K HA 0.431 4.752 4.320 0.002 0.000 0.250 3317 K C -1.956 174.491 176.600 -0.254 0.000 0.972 3317 K CA -0.666 55.424 56.287 -0.329 0.000 0.821 3317 K CB 2.047 34.300 32.500 -0.411 0.000 1.249 3317 K HN 0.341 nan 8.250 nan 0.000 0.442 3318 V N 2.670 122.429 119.914 -0.258 0.000 2.577 3318 V HA 0.485 4.606 4.120 0.002 0.000 0.303 3318 V C -1.203 174.795 176.094 -0.161 0.000 1.042 3318 V CA -0.764 61.438 62.300 -0.164 0.000 0.872 3318 V CB 1.691 33.453 31.823 -0.101 0.000 0.998 3318 V HN 0.932 nan 8.190 nan 0.000 0.423 3319 N N 4.517 123.142 118.700 -0.126 0.000 2.405 3319 N HA 0.140 4.881 4.740 0.002 0.000 0.260 3319 N C 0.601 176.073 175.510 -0.064 0.000 1.152 3319 N CA -0.138 52.855 53.050 -0.096 0.000 0.948 3319 N CB 1.314 39.756 38.487 -0.075 0.000 1.111 3319 N HN 0.781 nan 8.380 nan 0.000 0.485 3320 I N 3.594 124.132 120.570 -0.053 0.000 2.286 3320 I HA -0.107 4.065 4.170 0.002 0.000 0.245 3320 I C 1.014 177.117 176.117 -0.023 0.000 1.104 3320 I CA 1.374 62.654 61.300 -0.033 0.000 1.397 3320 I CB -0.196 37.790 38.000 -0.023 0.000 1.072 3320 I HN 0.695 nan 8.210 nan 0.000 0.417 3321 K N -0.989 119.398 120.400 -0.021 0.000 2.711 3321 K HA 0.322 4.643 4.320 0.002 0.000 0.294 3321 K C -3.107 173.485 176.600 -0.012 0.000 1.037 3321 K CA -1.455 54.824 56.287 -0.014 0.000 0.858 3321 K CB 0.819 33.314 32.500 -0.007 0.000 1.521 3321 K HN -0.395 nan 8.250 nan 0.000 0.386 3322 P HA -0.028 nan 4.420 nan 0.000 0.261 3322 P C -0.749 176.551 177.300 -0.001 0.000 1.183 3322 P CA 0.745 63.840 63.100 -0.008 0.000 0.761 3322 P CB 0.224 31.921 31.700 -0.005 0.000 0.785 3323 Q N -0.882 118.917 119.800 -0.001 0.000 2.493 3323 Q HA -0.126 4.215 4.340 0.002 0.000 0.260 3323 Q C -0.689 175.325 176.000 0.022 0.000 0.905 3323 Q CA 0.792 56.604 55.803 0.014 0.000 1.140 3323 Q CB -2.605 26.144 28.738 0.019 0.000 1.435 3323 Q HN 0.347 nan 8.270 nan 0.000 0.581 3324 V N 1.380 121.300 119.914 0.010 0.000 2.462 3324 V HA 0.405 4.527 4.120 0.002 0.000 0.288 3324 V C -0.322 175.766 176.094 -0.011 0.000 1.020 3324 V CA -0.702 61.606 62.300 0.013 0.000 0.857 3324 V CB 2.116 33.943 31.823 0.007 0.000 1.013 3324 V HN 0.026 nan 8.190 nan 0.000 0.431 3325 D N 3.399 123.798 120.400 -0.003 0.000 2.342 3325 D HA 0.528 5.169 4.640 0.002 0.000 0.243 3325 D C -0.427 175.836 176.300 -0.061 0.000 1.019 3325 D CA -0.624 53.321 54.000 -0.092 0.000 0.864 3325 D CB 2.910 43.617 40.800 -0.155 0.000 1.315 3325 D HN 0.353 nan 8.370 nan 0.000 0.468 3326 R N 2.315 122.722 120.500 -0.155 0.000 2.468 3326 R HA 0.247 4.589 4.340 0.002 0.000 0.302 3326 R C -1.201 175.038 176.300 -0.103 0.000 1.041 3326 R CA -0.545 55.530 56.100 -0.042 0.000 0.899 3326 R CB 0.433 30.720 30.300 -0.021 0.000 1.167 3326 R HN 0.323 nan 8.270 nan 0.000 0.483 3327 Y N 2.705 122.987 120.300 -0.029 0.000 2.307 3327 Y HA 0.299 4.851 4.550 0.003 0.000 0.324 3327 Y C 0.147 176.040 175.900 -0.013 0.000 1.238 3327 Y CA -0.743 57.334 58.100 -0.038 0.000 1.280 3327 Y CB 0.950 39.365 38.460 -0.076 0.000 1.248 3327 Y HN 0.367 nan 8.280 nan 0.000 0.508 3328 L N 3.914 125.223 121.223 0.144 0.000 2.305 3328 L HA 0.518 4.859 4.340 0.002 0.000 0.284 3328 L C -1.259 175.669 176.870 0.096 0.000 1.013 3328 L CA -0.762 54.139 54.840 0.101 0.000 0.819 3328 L CB 0.486 42.578 42.059 0.055 0.000 1.227 3328 L HN 0.549 nan 8.230 nan 0.000 0.417 3329 L N 4.564 125.855 121.223 0.112 0.000 2.399 3329 L HA 0.409 4.750 4.340 0.002 0.000 0.265 3329 L C 1.318 178.226 176.870 0.064 0.000 1.089 3329 L CA -0.718 54.181 54.840 0.099 0.000 0.802 3329 L CB 0.975 43.135 42.059 0.169 0.000 1.180 3329 L HN 0.659 nan 8.230 nan 0.000 0.454 3330 K N 0.879 121.303 120.400 0.039 0.000 2.280 3330 K HA -0.164 4.157 4.320 0.002 0.000 0.202 3330 K C 1.388 178.000 176.600 0.019 0.000 1.047 3330 K CA 1.380 57.678 56.287 0.019 0.000 0.942 3330 K CB -0.168 32.335 32.500 0.005 0.000 0.739 3330 K HN 0.603 nan 8.250 nan 0.000 0.457 3331 N N -0.180 118.533 118.700 0.023 0.000 2.515 3331 N HA -0.046 4.695 4.740 0.002 0.000 0.185 3331 N C 1.060 176.538 175.510 -0.055 0.000 1.109 3331 N CA 1.183 54.211 53.050 -0.037 0.000 0.903 3331 N CB 0.328 38.764 38.487 -0.085 0.000 0.969 3331 N HN 0.226 nan 8.380 nan 0.000 0.450 3332 G N -1.334 107.481 108.800 0.025 0.000 2.194 3332 G HA2 -0.251 3.710 3.960 0.002 0.000 0.236 3332 G HA3 -0.251 3.710 3.960 0.002 0.000 0.236 3332 G C -0.287 174.733 174.900 0.200 0.000 0.987 3332 G CA 0.066 45.213 45.100 0.078 0.000 0.635 3332 G HN 0.626 nan 8.290 nan 0.000 0.520 3333 H N 0.257 119.366 119.070 0.065 0.000 2.505 3333 H HA 0.623 5.179 4.556 -0.001 0.000 0.351 3333 H C 0.346 175.721 175.328 0.078 0.000 1.151 3333 H CA -0.645 55.446 56.048 0.072 0.000 1.339 3333 H CB 0.785 30.598 29.762 0.084 0.000 1.483 3333 H HN 0.112 nan 8.280 nan 0.000 0.558 3334 R N 1.565 122.159 120.500 0.157 0.000 2.532 3334 R HA 0.366 4.707 4.340 0.002 0.000 0.295 3334 R C -0.844 175.524 176.300 0.114 0.000 0.968 3334 R CA -0.575 55.596 56.100 0.118 0.000 0.916 3334 R CB 1.011 31.354 30.300 0.073 0.000 1.124 3334 R HN 0.440 nan 8.270 nan 0.000 0.463 3335 I N 4.008 124.658 120.570 0.133 0.000 2.410 3335 I HA 0.347 4.518 4.170 0.002 0.000 0.286 3335 I C -0.208 176.004 176.117 0.157 0.000 1.009 3335 I CA -0.633 60.739 61.300 0.121 0.000 1.111 3335 I CB 1.420 39.436 38.000 0.028 0.000 1.262 3335 I HN 0.550 nan 8.210 nan 0.000 0.443 3336 I N 6.458 127.107 120.570 0.131 0.000 2.325 3336 I HA 0.291 4.462 4.170 0.002 0.000 0.291 3336 I C -0.080 176.124 176.117 0.145 0.000 1.019 3336 I CA -0.249 61.127 61.300 0.126 0.000 1.302 3336 I CB 1.335 39.387 38.000 0.087 0.000 1.401 3336 I HN 0.301 nan 8.210 nan 0.000 0.485 3337 L N 7.499 128.827 121.223 0.175 0.000 2.325 3337 L HA 0.590 4.931 4.340 0.002 0.000 0.278 3337 L C -0.890 176.059 176.870 0.131 0.000 1.023 3337 L CA -0.794 54.149 54.840 0.172 0.000 0.811 3337 L CB 1.755 43.964 42.059 0.250 0.000 1.249 3337 L HN 0.512 nan 8.230 nan 0.000 0.431 3338 L N 4.446 125.737 121.223 0.114 0.000 2.322 3338 L HA 0.469 4.811 4.340 0.002 0.000 0.281 3338 L C 0.910 177.831 176.870 0.086 0.000 1.014 3338 L CA -0.544 54.347 54.840 0.086 0.000 0.815 3338 L CB 1.644 43.747 42.059 0.073 0.000 1.247 3338 L HN 0.893 nan 8.230 nan 0.000 0.421 3339 A N 2.356 125.218 122.820 0.070 0.000 2.798 3339 A HA -0.243 4.079 4.320 0.002 0.000 0.282 3339 A C 0.853 178.486 177.584 0.082 0.000 1.464 3339 A CA 1.300 53.379 52.037 0.071 0.000 0.844 3339 A CB -1.922 17.129 19.000 0.085 0.000 1.006 3339 A HN 0.996 nan 8.150 nan 0.000 0.577 3340 E N -3.659 116.593 120.200 0.086 0.000 2.539 3340 E HA -0.254 4.097 4.350 0.002 0.000 0.253 3340 E C 1.322 177.983 176.600 0.102 0.000 1.145 3340 E CA 1.233 57.690 56.400 0.095 0.000 0.738 3340 E CB -2.023 27.713 29.700 0.059 0.000 1.308 3340 E HN 2.505 nan 8.360 nan 0.000 0.409 3341 G N -0.266 108.604 108.800 0.116 0.000 2.199 3341 G HA2 -0.374 3.588 3.960 0.002 0.000 0.254 3341 G HA3 -0.374 3.588 3.960 0.002 0.000 0.254 3341 G C 0.433 175.422 174.900 0.149 0.000 0.982 3341 G CA 0.608 45.783 45.100 0.125 0.000 0.632 3341 G HN 0.307 nan 8.290 nan 0.000 0.529 3342 R N -0.354 120.254 120.500 0.181 0.000 2.580 3342 R HA 0.622 4.963 4.340 0.002 0.000 0.267 3342 R C 0.972 177.409 176.300 0.228 0.000 1.125 3342 R CA -0.843 55.471 56.100 0.358 0.000 1.188 3342 R CB 0.368 30.898 30.300 0.384 0.000 1.155 3342 R HN 0.204 nan 8.270 nan 0.000 0.586 3343 L N 1.556 122.837 121.223 0.097 0.000 2.667 3343 L HA -0.126 4.215 4.340 0.002 0.000 0.278 3343 L C 1.642 178.502 176.870 -0.017 0.000 1.217 3343 L CA 0.075 54.818 54.840 -0.162 0.000 0.935 3343 L CB 0.219 41.950 42.059 -0.546 0.000 1.193 3343 L HN 0.544 nan 8.230 nan 0.000 0.493 3344 V N 4.733 124.639 119.914 -0.014 0.000 2.453 3344 V HA -0.199 3.922 4.120 0.002 0.000 0.247 3344 V C 2.208 178.298 176.094 -0.006 0.000 1.048 3344 V CA 2.021 64.328 62.300 0.012 0.000 1.049 3344 V CB -0.362 31.475 31.823 0.023 0.000 0.672 3344 V HN 1.095 nan 8.190 nan 0.000 0.457 3345 N N 0.538 119.215 118.700 -0.039 0.000 2.244 3345 N HA -0.147 4.595 4.740 0.002 0.000 0.183 3345 N C 1.630 177.106 175.510 -0.057 0.000 1.016 3345 N CA 1.990 55.014 53.050 -0.043 0.000 0.866 3345 N CB -0.556 37.894 38.487 -0.062 0.000 0.980 3345 N HN 0.523 nan 8.380 nan 0.000 0.430 3346 L N -0.489 120.689 121.223 -0.076 0.000 2.202 3346 L HA 0.265 4.606 4.340 0.002 0.000 0.205 3346 L C 2.561 179.442 176.870 0.018 0.000 1.083 3346 L CA 0.923 55.736 54.840 -0.045 0.000 0.790 3346 L CB -0.440 41.585 42.059 -0.057 0.000 0.942 3346 L HN 0.259 nan 8.230 nan 0.000 0.452 3347 G N -1.544 107.280 108.800 0.041 0.000 2.551 3347 G HA2 -0.116 3.845 3.960 0.002 0.000 0.216 3347 G HA3 -0.116 3.845 3.960 0.002 0.000 0.216 3347 G C 1.183 176.103 174.900 0.034 0.000 1.137 3347 G CA 0.579 45.713 45.100 0.056 0.000 0.798 3347 G HN 0.413 nan 8.290 nan 0.000 0.536 3348 C N -0.221 119.094 119.300 0.026 0.000 3.491 3348 C HA 0.783 5.244 4.460 0.002 0.000 0.298 3348 C C 1.178 176.180 174.990 0.020 0.000 1.424 3348 C CA -0.062 58.970 59.018 0.022 0.000 1.772 3348 C CB -0.625 27.129 27.740 0.023 0.000 2.447 3348 C HN 0.582 nan 8.230 nan 0.000 0.670 3349 A N -0.125 122.705 122.820 0.018 0.000 2.566 3349 A HA 0.760 5.082 4.320 0.002 0.000 0.291 3349 A C 0.119 177.716 177.584 0.021 0.000 1.278 3349 A CA -0.172 51.878 52.037 0.022 0.000 0.711 3349 A CB 0.337 19.351 19.000 0.022 0.000 1.332 3349 A HN -0.001 nan 8.150 nan 0.000 0.478 3350 M N 0.794 120.412 119.600 0.029 0.000 2.505 3350 M HA 0.263 4.744 4.480 0.002 0.000 0.230 3350 M C 1.054 177.362 176.300 0.012 0.000 1.153 3350 M CA 1.043 56.362 55.300 0.032 0.000 0.997 3350 M CB -1.175 31.455 32.600 0.050 0.000 1.606 3350 M HN 1.539 nan 8.290 nan 0.000 0.481 3351 G N 0.541 109.328 108.800 -0.021 0.000 2.593 3351 G HA2 -0.203 3.758 3.960 0.002 0.000 0.237 3351 G HA3 -0.203 3.758 3.960 0.002 0.000 0.237 3351 G C -0.516 174.379 174.900 -0.008 0.000 1.312 3351 G CA -0.624 44.415 45.100 -0.102 0.000 0.896 3351 G HN 0.496 nan 8.290 nan 0.000 0.574 3352 H N 1.590 120.671 119.070 0.017 0.000 2.732 3352 H HA 0.436 4.993 4.556 0.002 0.000 0.351 3352 H C -1.506 173.849 175.328 0.046 0.000 1.090 3352 H CA -0.676 55.394 56.048 0.036 0.000 1.431 3352 H CB 0.081 29.858 29.762 0.025 0.000 1.447 3352 H HN 0.368 nan 8.280 nan 0.000 0.582 3353 P HA 0.043 nan 4.420 nan 0.000 0.270 3353 P C 0.796 178.176 177.300 0.132 0.000 1.223 3353 P CA -0.157 63.032 63.100 0.149 0.000 0.785 3353 P CB 0.753 32.541 31.700 0.146 0.000 0.923 3354 S N 0.167 115.934 115.700 0.111 0.000 2.387 3354 S HA -0.202 4.270 4.470 0.002 0.000 0.230 3354 S C 1.538 176.177 174.600 0.064 0.000 1.035 3354 S CA 1.179 59.424 58.200 0.075 0.000 1.014 3354 S CB -1.021 62.228 63.200 0.082 0.000 0.836 3354 S HN 0.496 nan 8.310 nan 0.000 0.466 3355 F N 1.925 121.857 119.950 -0.030 0.000 2.126 3355 F HA -0.186 4.342 4.527 0.002 0.000 0.299 3355 F C 2.406 178.081 175.800 -0.208 0.000 1.096 3355 F CA 1.492 59.449 58.000 -0.072 0.000 1.255 3355 F CB -0.313 38.672 39.000 -0.024 0.000 0.997 3355 F HN 0.125 nan 8.300 nan 0.000 0.479 3356 V N -0.424 119.517 119.914 0.044 0.000 2.407 3356 V HA -0.276 3.846 4.120 0.002 0.000 0.248 3356 V C 2.127 178.058 176.094 -0.272 0.000 1.055 3356 V CA 1.938 64.198 62.300 -0.067 0.000 1.049 3356 V CB -0.476 31.396 31.823 0.082 0.000 0.662 3356 V HN 0.378 nan 8.190 nan 0.000 0.455 3357 M N 0.941 120.380 119.600 -0.269 0.000 2.159 3357 M HA -0.069 4.412 4.480 0.002 0.000 0.263 3357 M C 2.559 178.494 176.300 -0.607 0.000 1.063 3357 M CA 2.180 57.136 55.300 -0.574 0.000 1.110 3357 M CB -1.035 31.287 32.600 -0.464 0.000 1.374 3357 M HN 0.579 nan 8.290 nan 0.000 0.411 3358 S N -0.264 115.221 115.700 -0.358 0.000 2.383 3358 S HA -0.179 4.292 4.470 0.002 0.000 0.229 3358 S C 1.730 176.224 174.600 -0.177 0.000 1.030 3358 S CA 2.052 60.124 58.200 -0.212 0.000 1.002 3358 S CB -0.317 62.747 63.200 -0.227 0.000 0.829 3358 S HN 0.606 nan 8.310 nan 0.000 0.467 3359 N N 0.394 118.804 118.700 -0.484 0.000 2.135 3359 N HA 0.038 4.780 4.740 0.002 0.000 0.186 3359 N C 2.004 177.381 175.510 -0.222 0.000 1.027 3359 N CA 1.449 54.179 53.050 -0.532 0.000 0.849 3359 N CB -0.214 37.706 38.487 -0.945 0.000 1.002 3359 N HN 0.267 nan 8.380 nan 0.000 0.425 3360 S N 0.355 115.917 115.700 -0.230 0.000 2.353 3360 S HA -0.096 4.375 4.470 0.002 0.000 0.222 3360 S C 1.493 176.157 174.600 0.108 0.000 1.035 3360 S CA 1.024 59.173 58.200 -0.086 0.000 1.025 3360 S CB -0.432 62.664 63.200 -0.174 0.000 0.902 3360 S HN 0.230 nan 8.310 nan 0.000 0.440 3361 F N 2.131 122.083 119.950 0.003 0.000 2.146 3361 F HA -0.043 4.486 4.527 0.003 0.000 0.298 3361 F C 2.847 178.652 175.800 0.008 0.000 1.096 3361 F CA 0.653 58.663 58.000 0.017 0.000 1.275 3361 F CB -1.955 37.048 39.000 0.005 0.000 1.008 3361 F HN 0.140 nan 8.300 nan 0.000 0.480 3362 T N 0.138 114.799 114.554 0.179 0.000 2.849 3362 T HA -0.196 4.155 4.350 0.002 0.000 0.270 3362 T C 1.927 176.682 174.700 0.093 0.000 1.066 3362 T CA 1.249 63.416 62.100 0.112 0.000 1.130 3362 T CB -0.346 68.584 68.868 0.104 0.000 0.864 3362 T HN 0.272 nan 8.240 nan 0.000 0.481 3363 N N 0.589 119.344 118.700 0.092 0.000 2.142 3363 N HA -0.087 4.654 4.740 0.002 0.000 0.186 3363 N C 2.098 177.655 175.510 0.079 0.000 1.023 3363 N CA 0.884 53.979 53.050 0.076 0.000 0.852 3363 N CB -0.076 38.455 38.487 0.073 0.000 0.998 3363 N HN 0.390 nan 8.380 nan 0.000 0.424 3364 Q N 0.840 120.709 119.800 0.115 0.000 2.030 3364 Q HA -0.085 4.257 4.340 0.002 0.000 0.204 3364 Q C 2.357 178.387 176.000 0.051 0.000 0.986 3364 Q CA 0.914 56.772 55.803 0.091 0.000 0.843 3364 Q CB -0.713 28.101 28.738 0.126 0.000 0.904 3364 Q HN 0.206 nan 8.270 nan 0.000 0.420 3365 V N 1.208 121.152 119.914 0.051 0.000 2.287 3365 V HA -0.298 3.823 4.120 0.002 0.000 0.248 3365 V C 2.473 178.559 176.094 -0.015 0.000 1.053 3365 V CA 1.607 63.913 62.300 0.011 0.000 1.027 3365 V CB -0.574 31.257 31.823 0.013 0.000 0.646 3365 V HN 0.348 nan 8.190 nan 0.000 0.447 3366 M N -0.283 119.320 119.600 0.005 0.000 2.080 3366 M HA -0.193 4.288 4.480 0.002 0.000 0.260 3366 M C 2.421 178.717 176.300 -0.007 0.000 1.068 3366 M CA 2.427 57.724 55.300 -0.005 0.000 1.109 3366 M CB -1.407 31.210 32.600 0.028 0.000 1.342 3366 M HN 0.439 nan 8.290 nan 0.000 0.405 3367 A N -0.114 122.706 122.820 -0.001 0.000 1.858 3367 A HA -0.191 4.130 4.320 0.002 0.000 0.216 3367 A C 2.084 179.656 177.584 -0.019 0.000 1.190 3367 A CA 1.343 53.364 52.037 -0.026 0.000 0.617 3367 A CB -0.656 18.329 19.000 -0.025 0.000 0.827 3367 A HN 0.489 nan 8.150 nan 0.000 0.443 3368 Q N -0.056 119.741 119.800 -0.005 0.000 2.045 3368 Q HA -0.184 4.157 4.340 0.002 0.000 0.206 3368 Q C 2.189 178.226 176.000 0.063 0.000 0.991 3368 Q CA 1.751 57.559 55.803 0.009 0.000 0.851 3368 Q CB -0.647 28.079 28.738 -0.020 0.000 0.911 3368 Q HN 0.778 nan 8.270 nan 0.000 0.418 3369 I N 0.719 121.302 120.570 0.022 0.000 2.264 3369 I HA -0.251 3.920 4.170 0.002 0.000 0.248 3369 I C 2.430 178.621 176.117 0.124 0.000 1.111 3369 I CA 1.141 62.463 61.300 0.037 0.000 1.382 3369 I CB -0.289 37.631 38.000 -0.133 0.000 1.060 3369 I HN 0.259 nan 8.210 nan 0.000 0.418 3370 E N 0.915 121.182 120.200 0.111 0.000 2.033 3370 E HA -0.113 4.239 4.350 0.002 0.000 0.189 3370 E C 2.423 179.182 176.600 0.266 0.000 0.979 3370 E CA 0.907 57.434 56.400 0.212 0.000 0.802 3370 E CB -0.061 29.677 29.700 0.063 0.000 0.763 3370 E HN 0.427 nan 8.360 nan 0.000 0.449 3371 L N 0.515 121.789 121.223 0.085 0.000 1.971 3371 L HA -0.222 4.119 4.340 0.002 0.000 0.215 3371 L C 2.644 179.624 176.870 0.183 0.000 1.072 3371 L CA 1.662 56.541 54.840 0.064 0.000 0.758 3371 L CB -0.725 41.322 42.059 -0.021 0.000 0.889 3371 L HN 0.418 nan 8.230 nan 0.000 0.433 3372 W N 0.784 122.083 121.300 -0.002 0.000 2.338 3372 W HA -0.245 4.416 4.660 0.002 0.000 0.304 3372 W C 2.070 178.575 176.519 -0.023 0.000 1.212 3372 W CA 1.989 59.321 57.345 -0.021 0.000 1.264 3372 W CB -0.243 29.190 29.460 -0.045 0.000 1.142 3372 W HN 0.114 nan 8.180 nan 0.000 0.512 3373 T N -0.270 114.251 114.554 -0.055 0.000 3.055 3373 T HA -0.128 4.224 4.350 0.002 0.000 0.265 3373 T C -0.646 173.759 174.700 -0.491 0.000 1.111 3373 T CA 0.993 62.901 62.100 -0.320 0.000 1.118 3373 T CB -0.313 68.435 68.868 -0.199 0.000 0.909 3373 T HN 0.101 nan 8.240 nan 0.000 0.501 3374 H N 0.054 119.087 119.070 -0.062 0.000 2.530 3374 H HA 0.291 4.849 4.556 0.002 0.000 0.246 3374 H C -1.984 173.330 175.328 -0.023 0.000 1.346 3374 H CA -2.000 54.032 56.048 -0.027 0.000 1.424 3374 H CB 1.039 30.841 29.762 0.065 0.000 1.445 3374 H HN 0.034 nan 8.280 nan 0.000 0.511 3375 P HA -0.180 nan 4.420 nan 0.000 0.215 3375 P C 0.378 177.678 177.300 -0.001 0.000 1.157 3375 P CA 1.415 64.475 63.100 -0.066 0.000 0.874 3375 P CB 0.418 32.026 31.700 -0.153 0.000 0.790 3376 D N -1.680 118.716 120.400 -0.006 0.000 2.525 3376 D HA 0.051 4.693 4.640 0.002 0.000 0.229 3376 D C 1.315 177.600 176.300 -0.026 0.000 1.202 3376 D CA 0.006 54.002 54.000 -0.008 0.000 0.828 3376 D CB 0.361 41.146 40.800 -0.025 0.000 1.008 3376 D HN 0.248 nan 8.370 nan 0.000 0.493 3377 K N -0.014 120.377 120.400 -0.015 0.000 2.211 3377 K HA -0.015 4.306 4.320 0.002 0.000 0.201 3377 K C -0.202 176.137 176.600 -0.435 0.000 1.052 3377 K CA 0.567 56.729 56.287 -0.208 0.000 0.973 3377 K CB 0.396 32.756 32.500 -0.233 0.000 0.766 3377 K HN -0.047 nan 8.250 nan 0.000 0.466 3378 Y N 2.282 122.508 120.300 -0.124 0.000 2.334 3378 Y HA 0.335 4.887 4.550 0.002 0.000 0.336 3378 Y C -2.202 173.663 175.900 -0.057 0.000 0.960 3378 Y CA -3.036 54.922 58.100 -0.237 0.000 1.164 3378 Y CB 1.113 39.336 38.460 -0.394 0.000 1.155 3378 Y HN 0.100 nan 8.280 nan 0.000 0.478 3379 P HA 0.080 nan 4.420 nan 0.000 0.274 3379 P C -0.470 176.999 177.300 0.281 0.000 1.237 3379 P CA -0.347 62.863 63.100 0.183 0.000 0.793 3379 P CB 1.146 32.939 31.700 0.154 0.000 0.977 3380 V N 0.909 120.921 119.914 0.165 0.000 2.583 3380 V HA 0.370 4.491 4.120 0.002 0.000 0.302 3380 V C 1.196 177.351 176.094 0.101 0.000 1.033 3380 V CA 1.284 63.663 62.300 0.131 0.000 1.194 3380 V CB -1.157 30.712 31.823 0.078 0.000 0.879 3380 V HN 1.109 nan 8.190 nan 0.000 0.482 3381 G N 2.854 111.686 108.800 0.053 0.000 2.358 3381 G HA2 0.326 4.288 3.960 0.002 0.000 0.303 3381 G HA3 0.326 4.288 3.960 0.002 0.000 0.303 3381 G C -1.190 173.520 174.900 -0.318 0.000 1.537 3381 G CA -0.255 44.751 45.100 -0.157 0.000 0.928 3381 G HN 1.297 nan 8.290 nan 0.000 0.656 3382 V N 2.521 122.184 119.914 -0.418 0.000 2.372 3382 V HA 0.568 4.690 4.120 0.002 0.000 0.261 3382 V C 0.185 175.963 176.094 -0.526 0.000 1.055 3382 V CA -0.432 61.579 62.300 -0.482 0.000 0.930 3382 V CB -0.556 30.778 31.823 -0.816 0.000 1.031 3382 V HN 0.753 nan 8.190 nan 0.000 0.479 3383 H N 5.239 124.201 119.070 -0.179 0.000 2.559 3383 H HA 0.450 5.008 4.556 0.002 0.000 0.343 3383 H C -0.938 174.306 175.328 -0.140 0.000 1.209 3383 H CA -0.387 55.611 56.048 -0.082 0.000 1.287 3383 H CB 1.505 31.339 29.762 0.119 0.000 1.650 3383 H HN 0.585 nan 8.280 nan 0.000 0.567 3384 F N 0.550 120.630 119.950 0.218 0.000 2.399 3384 F HA 0.117 4.645 4.527 0.002 0.000 0.328 3384 F C 0.324 176.195 175.800 0.118 0.000 1.084 3384 F CA -0.863 57.222 58.000 0.143 0.000 1.053 3384 F CB 0.808 39.895 39.000 0.145 0.000 1.209 3384 F HN 0.231 nan 8.300 nan 0.000 0.502 3385 L N 6.439 127.840 121.223 0.297 0.000 2.477 3385 L HA 0.303 4.644 4.340 0.002 0.000 0.272 3385 L C -2.118 174.848 176.870 0.160 0.000 1.157 3385 L CA -1.597 53.340 54.840 0.161 0.000 0.889 3385 L CB -0.435 41.691 42.059 0.113 0.000 1.158 3385 L HN 0.284 nan 8.230 nan 0.000 0.473 3386 P HA -0.102 nan 4.420 nan 0.000 0.261 3386 P C 0.122 177.468 177.300 0.075 0.000 1.165 3386 P CA 0.169 63.335 63.100 0.110 0.000 0.759 3386 P CB 0.455 32.204 31.700 0.082 0.000 0.772 3387 K N 4.742 125.179 120.400 0.063 0.000 2.074 3387 K HA -0.235 4.087 4.320 0.002 0.000 0.209 3387 K C 1.865 178.482 176.600 0.028 0.000 1.048 3387 K CA 2.055 58.373 56.287 0.052 0.000 0.926 3387 K CB -0.307 32.222 32.500 0.048 0.000 0.713 3387 K HN 0.239 nan 8.250 nan 0.000 0.444 3388 K N 0.073 120.472 120.400 -0.002 0.000 2.209 3388 K HA -0.060 4.261 4.320 0.002 0.000 0.204 3388 K C 1.810 178.422 176.600 0.020 0.000 1.048 3388 K CA 1.225 57.497 56.287 -0.024 0.000 0.940 3388 K CB 0.005 32.475 32.500 -0.050 0.000 0.729 3388 K HN 0.206 nan 8.250 nan 0.000 0.451 3389 L N 0.183 121.427 121.223 0.036 0.000 2.095 3389 L HA -0.117 4.224 4.340 0.002 0.000 0.204 3389 L C 2.180 179.083 176.870 0.054 0.000 1.080 3389 L CA 0.986 55.856 54.840 0.051 0.000 0.759 3389 L CB -0.530 41.557 42.059 0.048 0.000 0.914 3389 L HN 0.267 nan 8.230 nan 0.000 0.439 3390 D N 0.666 121.096 120.400 0.049 0.000 2.117 3390 D HA -0.211 4.430 4.640 0.002 0.000 0.197 3390 D C 2.003 178.324 176.300 0.034 0.000 0.987 3390 D CA 1.373 55.396 54.000 0.037 0.000 0.829 3390 D CB 0.174 40.992 40.800 0.029 0.000 0.961 3390 D HN 0.275 nan 8.370 nan 0.000 0.460 3391 E N -0.306 119.923 120.200 0.049 0.000 2.153 3391 E HA -0.120 4.231 4.350 0.002 0.000 0.194 3391 E C 2.052 178.709 176.600 0.095 0.000 0.988 3391 E CA 0.879 57.327 56.400 0.081 0.000 0.811 3391 E CB -0.069 29.692 29.700 0.102 0.000 0.746 3391 E HN 0.319 nan 8.360 nan 0.000 0.466 3392 A N 0.962 123.833 122.820 0.084 0.000 1.898 3392 A HA -0.145 4.177 4.320 0.002 0.000 0.216 3392 A C 2.451 180.099 177.584 0.108 0.000 1.181 3392 A CA 1.446 53.542 52.037 0.099 0.000 0.620 3392 A CB -0.842 18.218 19.000 0.100 0.000 0.819 3392 A HN 0.265 nan 8.150 nan 0.000 0.442 3393 V N -0.977 118.994 119.914 0.094 0.000 2.594 3393 V HA -0.064 4.057 4.120 0.002 0.000 0.253 3393 V C 2.408 178.591 176.094 0.149 0.000 1.069 3393 V CA 2.172 64.540 62.300 0.112 0.000 1.082 3393 V CB -0.910 30.951 31.823 0.063 0.000 0.680 3393 V HN 0.557 nan 8.190 nan 0.000 0.469 3394 A N 0.193 123.068 122.820 0.091 0.000 1.898 3394 A HA -0.226 4.095 4.320 0.002 0.000 0.216 3394 A C 2.265 179.945 177.584 0.160 0.000 1.181 3394 A CA 1.860 53.951 52.037 0.090 0.000 0.620 3394 A CB -0.711 18.333 19.000 0.074 0.000 0.819 3394 A HN 0.750 nan 8.150 nan 0.000 0.442 3395 E N -0.142 120.144 120.200 0.142 0.000 2.268 3395 E HA -0.022 4.329 4.350 0.002 0.000 0.195 3395 E C 1.861 178.526 176.600 0.109 0.000 0.995 3395 E CA 0.789 57.264 56.400 0.126 0.000 0.836 3395 E CB -0.221 29.547 29.700 0.113 0.000 0.763 3395 E HN 0.539 nan 8.360 nan 0.000 0.491 3396 A N -0.145 122.745 122.820 0.117 0.000 2.067 3396 A HA -0.144 4.177 4.320 0.002 0.000 0.219 3396 A C 1.281 178.783 177.584 -0.136 0.000 1.158 3396 A CA 1.438 53.469 52.037 -0.011 0.000 0.661 3396 A CB -0.541 18.427 19.000 -0.054 0.000 0.801 3396 A HN 0.340 nan 8.150 nan 0.000 0.452 3397 H N -1.687 117.368 119.070 -0.024 0.000 2.582 3397 H HA 0.290 4.848 4.556 0.003 0.000 0.269 3397 H C -0.129 175.274 175.328 0.126 0.000 0.962 3397 H CA -0.266 55.794 56.048 0.020 0.000 1.230 3397 H CB -0.006 29.702 29.762 -0.089 0.000 1.445 3397 H HN 0.278 nan 8.280 nan 0.000 0.528 3398 L N 0.508 121.848 121.223 0.196 0.000 2.453 3398 L HA 0.258 4.600 4.340 0.002 0.000 0.272 3398 L C 1.526 178.453 176.870 0.095 0.000 1.182 3398 L CA 1.449 56.372 54.840 0.139 0.000 0.858 3398 L CB 0.427 42.548 42.059 0.104 0.000 1.120 3398 L HN 0.607 nan 8.230 nan 0.000 0.474 3399 G N 2.317 111.163 108.800 0.077 0.000 2.981 3399 G HA2 -0.233 3.728 3.960 0.002 0.000 0.199 3399 G HA3 -0.233 3.728 3.960 0.002 0.000 0.199 3399 G C 1.245 176.175 174.900 0.050 0.000 1.586 3399 G CA 0.199 45.328 45.100 0.048 0.000 1.162 3399 G HN 0.519 nan 8.290 nan 0.000 0.538 3400 K N 0.830 121.277 120.400 0.078 0.000 2.057 3400 K HA 0.187 4.508 4.320 0.002 0.000 0.206 3400 K C 2.548 179.182 176.600 0.056 0.000 1.050 3400 K CA 1.524 57.860 56.287 0.081 0.000 0.935 3400 K CB -0.256 32.344 32.500 0.166 0.000 0.715 3400 K HN 0.484 nan 8.250 nan 0.000 0.439 3401 L N 0.751 122.025 121.223 0.086 0.000 2.465 3401 L HA -0.073 4.268 4.340 0.002 0.000 0.224 3401 L C 0.336 177.215 176.870 0.016 0.000 1.145 3401 L CA 0.185 55.041 54.840 0.027 0.000 0.834 3401 L CB -0.415 41.688 42.059 0.074 0.000 0.944 3401 L HN 0.306 nan 8.230 nan 0.000 0.451 3402 N N -0.104 118.614 118.700 0.030 0.000 2.756 3402 N HA -0.154 4.587 4.740 0.002 0.000 0.248 3402 N C -0.800 174.720 175.510 0.018 0.000 1.062 3402 N CA 0.260 53.321 53.050 0.018 0.000 0.696 3402 N CB -1.144 37.346 38.487 0.003 0.000 0.946 3402 N HN -0.030 nan 8.380 nan 0.000 0.548 3403 V N 1.024 120.957 119.914 0.032 0.000 2.481 3403 V HA 0.267 4.389 4.120 0.002 0.000 0.286 3403 V C 0.742 176.851 176.094 0.026 0.000 1.042 3403 V CA -0.478 61.840 62.300 0.029 0.000 0.928 3403 V CB 1.803 33.654 31.823 0.046 0.000 0.986 3403 V HN 0.008 nan 8.190 nan 0.000 0.462 3404 K N 4.714 125.123 120.400 0.015 0.000 2.300 3404 K HA 0.356 4.678 4.320 0.002 0.000 0.264 3404 K C -0.827 175.776 176.600 0.006 0.000 1.083 3404 K CA -0.737 55.557 56.287 0.011 0.000 0.958 3404 K CB 1.265 33.768 32.500 0.005 0.000 1.318 3404 K HN 0.385 nan 8.250 nan 0.000 0.448 3405 L N 3.089 124.318 121.223 0.009 0.000 2.367 3405 L HA 0.087 4.429 4.340 0.002 0.000 0.275 3405 L C 0.633 177.493 176.870 -0.016 0.000 1.129 3405 L CA 0.465 55.303 54.840 -0.004 0.000 0.839 3405 L CB 0.992 43.057 42.059 0.009 0.000 1.133 3405 L HN 0.573 nan 8.230 nan 0.000 0.453 3406 T N 2.600 117.131 114.554 -0.037 0.000 2.913 3406 T HA 0.367 4.719 4.350 0.002 0.000 0.287 3406 T C -0.005 174.664 174.700 -0.052 0.000 1.008 3406 T CA -0.796 61.282 62.100 -0.037 0.000 1.067 3406 T CB 0.782 69.625 68.868 -0.040 0.000 0.996 3406 T HN 0.508 nan 8.240 nan 0.000 0.513 3407 K N 2.290 122.674 120.400 -0.028 0.000 2.206 3407 K HA 0.368 4.690 4.320 0.002 0.000 0.264 3407 K C -0.547 176.045 176.600 -0.013 0.000 0.967 3407 K CA -0.877 55.402 56.287 -0.014 0.000 0.844 3407 K CB 1.503 34.013 32.500 0.017 0.000 1.099 3407 K HN 0.495 nan 8.250 nan 0.000 0.441 3408 L N 2.966 124.183 121.223 -0.009 0.000 2.490 3408 L HA 0.014 4.356 4.340 0.002 0.000 0.274 3408 L C 0.845 177.734 176.870 0.033 0.000 1.201 3408 L CA 0.703 55.550 54.840 0.011 0.000 0.869 3408 L CB 0.444 42.531 42.059 0.047 0.000 1.123 3408 L HN 0.708 nan 8.230 nan 0.000 0.484 3409 T N 0.189 114.758 114.554 0.025 0.000 2.828 3409 T HA 0.163 4.514 4.350 0.002 0.000 0.290 3409 T C 0.989 175.713 174.700 0.040 0.000 1.019 3409 T CA -0.341 61.775 62.100 0.026 0.000 1.031 3409 T CB 0.798 69.674 68.868 0.013 0.000 1.001 3409 T HN 0.573 nan 8.240 nan 0.000 0.531 3410 E N 0.642 120.864 120.200 0.037 0.000 2.110 3410 E HA -0.158 4.194 4.350 0.002 0.000 0.193 3410 E C 1.997 178.626 176.600 0.049 0.000 0.988 3410 E CA 1.593 58.019 56.400 0.043 0.000 0.804 3410 E CB -0.275 29.445 29.700 0.033 0.000 0.745 3410 E HN 0.761 nan 8.360 nan 0.000 0.458 3411 K N -0.128 120.296 120.400 0.040 0.000 1.985 3411 K HA -0.203 4.119 4.320 0.002 0.000 0.210 3411 K C 2.303 178.949 176.600 0.077 0.000 1.047 3411 K CA 1.821 58.134 56.287 0.044 0.000 0.932 3411 K CB -0.116 32.392 32.500 0.015 0.000 0.716 3411 K HN 0.204 nan 8.250 nan 0.000 0.439 3412 Q N -0.247 119.591 119.800 0.063 0.000 2.124 3412 Q HA -0.145 4.196 4.340 0.002 0.000 0.202 3412 Q C 2.087 178.176 176.000 0.149 0.000 0.977 3412 Q CA 1.453 57.319 55.803 0.105 0.000 0.850 3412 Q CB -0.165 28.607 28.738 0.056 0.000 0.901 3412 Q HN 0.409 nan 8.270 nan 0.000 0.429 3413 A N 1.145 124.030 122.820 0.107 0.000 1.902 3413 A HA -0.226 4.095 4.320 0.002 0.000 0.217 3413 A C 2.057 179.699 177.584 0.097 0.000 1.181 3413 A CA 1.288 53.389 52.037 0.107 0.000 0.623 3413 A CB -0.366 18.691 19.000 0.095 0.000 0.818 3413 A HN 0.295 nan 8.150 nan 0.000 0.443 3414 Q N -1.949 117.909 119.800 0.097 0.000 2.119 3414 Q HA -0.181 4.160 4.340 0.002 0.000 0.201 3414 Q C 2.005 178.066 176.000 0.101 0.000 0.972 3414 Q CA 1.620 57.472 55.803 0.082 0.000 0.847 3414 Q CB -0.391 28.393 28.738 0.077 0.000 0.903 3414 Q HN 0.841 nan 8.270 nan 0.000 0.433 3415 Y N 1.525 121.834 120.300 0.015 0.000 2.114 3415 Y HA -0.170 4.381 4.550 0.002 0.000 0.284 3415 Y C 1.935 177.843 175.900 0.013 0.000 1.143 3415 Y CA 1.311 59.418 58.100 0.012 0.000 1.135 3415 Y CB -0.325 38.140 38.460 0.009 0.000 0.980 3415 Y HN -0.018 nan 8.280 nan 0.000 0.499 3416 L N -0.113 121.127 121.223 0.027 0.000 2.465 3416 L HA 0.054 4.395 4.340 0.002 0.000 0.224 3416 L C 1.456 178.291 176.870 -0.058 0.000 1.145 3416 L CA 0.757 55.565 54.840 -0.053 0.000 0.834 3416 L CB -1.026 41.071 42.059 0.062 0.000 0.944 3416 L HN 0.537 nan 8.230 nan 0.000 0.451 3417 G N 1.707 110.489 108.800 -0.030 0.000 2.338 3417 G HA2 -0.299 3.662 3.960 0.002 0.000 0.296 3417 G HA3 -0.299 3.662 3.960 0.002 0.000 0.296 3417 G C -0.045 174.854 174.900 -0.002 0.000 1.040 3417 G CA 0.786 45.873 45.100 -0.022 0.000 1.004 3417 G HN 0.425 nan 8.290 nan 0.000 0.509 3418 M N -1.706 117.912 119.600 0.030 0.000 2.569 3418 M HA 0.747 5.228 4.480 0.002 0.000 0.279 3418 M C -3.066 173.269 176.300 0.058 0.000 1.253 3418 M CA -2.336 52.987 55.300 0.038 0.000 0.867 3418 M CB 1.957 34.601 32.600 0.072 0.000 1.727 3418 M HN -0.089 nan 8.290 nan 0.000 0.467 3419 P HA 0.299 nan 4.420 nan 0.000 0.275 3419 P C 0.660 178.023 177.300 0.106 0.000 1.228 3419 P CA -0.371 62.742 63.100 0.023 0.000 0.786 3419 P CB 0.615 32.288 31.700 -0.046 0.000 0.927 3420 I N 0.788 121.432 120.570 0.123 0.000 2.335 3420 I HA -0.247 3.924 4.170 0.002 0.000 0.251 3420 I C 1.098 177.393 176.117 0.297 0.000 1.129 3420 I CA 1.587 63.007 61.300 0.199 0.000 1.402 3420 I CB -0.463 37.608 38.000 0.119 0.000 1.069 3420 I HN 0.410 nan 8.210 nan 0.000 0.424 3421 N N 0.169 118.942 118.700 0.121 0.000 2.382 3421 N HA 0.089 4.830 4.740 0.002 0.000 0.200 3421 N C 1.115 176.455 175.510 -0.284 0.000 1.122 3421 N CA 0.328 53.411 53.050 0.054 0.000 0.870 3421 N CB -0.048 38.468 38.487 0.049 0.000 1.176 3421 N HN 0.193 nan 8.380 nan 0.000 0.474 3422 G N 3.028 111.672 108.800 -0.260 0.000 2.825 3422 G HA2 0.075 4.036 3.960 0.002 0.000 0.241 3422 G HA3 0.075 4.036 3.960 0.002 0.000 0.241 3422 G C -2.325 172.177 174.900 -0.664 0.000 1.239 3422 G CA -0.388 44.520 45.100 -0.321 0.000 0.859 3422 G HN 0.014 nan 8.290 nan 0.000 0.598 3423 P HA 0.014 nan 4.420 nan 0.000 0.265 3423 P C -0.312 176.690 177.300 -0.498 0.000 1.187 3423 P CA 0.247 63.079 63.100 -0.448 0.000 0.766 3423 P CB 0.357 31.950 31.700 -0.179 0.000 0.820 3424 F N 0.747 120.687 119.950 -0.017 0.000 2.695 3424 F HA 0.250 4.778 4.527 0.002 0.000 0.303 3424 F C 1.259 176.970 175.800 -0.149 0.000 1.091 3424 F CA 0.482 58.447 58.000 -0.058 0.000 1.300 3424 F CB 0.144 39.123 39.000 -0.036 0.000 1.071 3424 F HN 0.063 nan 8.300 nan 0.000 0.578 3425 K N 0.017 120.391 120.400 -0.044 0.000 2.536 3425 K HA 0.453 4.775 4.320 0.002 0.000 0.269 3425 K C -2.986 173.509 176.600 -0.174 0.000 0.965 3425 K CA -1.769 54.375 56.287 -0.239 0.000 0.860 3425 K CB 1.757 33.961 32.500 -0.494 0.000 1.423 3425 K HN -0.296 nan 8.250 nan 0.000 0.438 3426 P HA 0.174 nan 4.420 nan 0.000 0.276 3426 P C 0.004 177.179 177.300 -0.208 0.000 1.252 3426 P CA -0.285 62.664 63.100 -0.252 0.000 0.802 3426 P CB 0.556 31.962 31.700 -0.489 0.000 1.035 3427 D N -0.357 119.980 120.400 -0.105 0.000 2.144 3427 D HA -0.182 4.460 4.640 0.002 0.000 0.199 3427 D C 1.632 177.910 176.300 -0.036 0.000 0.984 3427 D CA 1.473 55.452 54.000 -0.036 0.000 0.834 3427 D CB -0.642 40.164 40.800 0.010 0.000 0.955 3427 D HN 0.644 nan 8.370 nan 0.000 0.465 3428 H N -1.004 118.080 119.070 0.024 0.000 2.545 3428 H HA -0.121 4.436 4.556 0.002 0.000 0.282 3428 H C 0.303 175.632 175.328 0.000 0.000 1.020 3428 H CA 0.005 56.055 56.048 0.004 0.000 1.243 3428 H CB -0.786 28.978 29.762 0.004 0.000 1.377 3428 H HN 0.130 nan 8.280 nan 0.000 0.581 3429 Y N 3.126 123.203 120.300 -0.372 0.000 2.620 3429 Y HA 0.087 4.639 4.550 0.003 0.000 0.330 3429 Y C 0.051 175.779 175.900 -0.286 0.000 1.186 3429 Y CA -0.208 57.677 58.100 -0.358 0.000 1.467 3429 Y CB 0.408 38.542 38.460 -0.543 0.000 1.262 3429 Y HN 0.136 nan 8.280 nan 0.000 0.550 3430 R N 6.216 126.273 120.500 -0.738 0.000 2.275 3430 R HA 0.256 4.597 4.340 0.002 0.000 0.326 3430 R C -1.094 174.803 176.300 -0.670 0.000 0.973 3430 R CA -0.745 55.099 56.100 -0.427 0.000 0.854 3430 R CB 0.620 30.781 30.300 -0.232 0.000 1.156 3430 R HN 0.534 nan 8.270 nan 0.000 0.487 3431 Y N 0.000 120.108 120.300 -0.320 0.000 2.660 3431 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 3431 Y CA 0.000 58.014 58.100 -0.143 0.000 1.940 3431 Y CB 0.000 38.522 38.460 0.103 0.000 1.050 3431 Y HN 0.000 nan 8.280 nan 0.000 0.758