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 1ddx_1_D DATA FIRST_RESID 3033 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q 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 3033 A HA 0.000 nan 4.320 nan 0.000 0.244 3033 A C 0.000 177.632 177.584 0.080 0.000 1.274 3033 A CA 0.000 52.078 52.037 0.068 0.000 0.836 3033 A CB 0.000 19.056 19.000 0.094 0.000 0.831 3034 N N 2.564 121.300 118.700 0.061 0.000 2.429 3034 N HA 0.123 4.864 4.740 0.002 0.000 0.271 3034 N C -1.409 174.117 175.510 0.027 0.000 1.272 3034 N CA -1.050 52.033 53.050 0.054 0.000 0.921 3034 N CB 1.069 39.577 38.487 0.034 0.000 1.128 3034 N HN 0.226 nan 8.380 nan 0.000 0.481 3035 P HA -0.073 nan 4.420 nan 0.000 0.229 3035 P C 0.650 177.879 177.300 -0.119 0.000 1.150 3035 P CA 0.714 63.821 63.100 0.011 0.000 0.765 3035 P CB 0.135 31.910 31.700 0.125 0.000 0.783 3036 c N -1.977 116.583 118.600 -0.067 0.000 2.674 3036 c HA 0.075 4.646 4.570 0.002 0.000 0.276 3036 c C 2.857 176.870 174.090 -0.129 0.000 1.300 3036 c CA -0.141 56.115 56.329 -0.122 0.000 1.732 3036 c CB -1.724 40.780 42.510 -0.010 0.000 2.076 3036 c HN 0.325 nan 8.230 nan 0.000 0.548 3037 c N 1.963 120.513 118.600 -0.083 0.000 2.366 3037 c HA -0.217 4.354 4.570 0.002 0.000 0.271 3037 c C 2.768 176.804 174.090 -0.089 0.000 1.152 3037 c CA 2.396 58.684 56.329 -0.068 0.000 1.809 3037 c CB -1.468 41.016 42.510 -0.042 0.000 2.107 3037 c HN 0.796 nan 8.230 nan 0.000 0.455 3038 S N 0.302 115.927 115.700 -0.124 0.000 2.653 3038 S HA -0.059 4.412 4.470 0.002 0.000 0.233 3038 S C 0.466 174.987 174.600 -0.132 0.000 0.970 3038 S CA 0.695 58.820 58.200 -0.125 0.000 0.947 3038 S CB -1.067 62.042 63.200 -0.151 0.000 0.771 3038 S HN 0.781 nan 8.310 nan 0.000 0.538 3039 N N 1.420 120.041 118.700 -0.133 0.000 2.708 3039 N HA -0.128 4.613 4.740 0.002 0.000 0.251 3039 N C -1.794 173.647 175.510 -0.116 0.000 1.017 3039 N CA 0.731 53.710 53.050 -0.120 0.000 0.742 3039 N CB -1.034 37.388 38.487 -0.108 0.000 0.943 3039 N HN 0.499 nan 8.380 nan 0.000 0.539 3040 P HA -0.111 nan 4.420 nan 0.000 0.215 3040 P C 0.511 177.810 177.300 -0.001 0.000 1.157 3040 P CA 1.011 64.038 63.100 -0.120 0.000 0.868 3040 P CB -0.107 31.389 31.700 -0.339 0.000 0.788 3041 c N 2.755 121.384 118.600 0.049 0.000 2.638 3041 c HA 0.168 4.739 4.570 0.002 0.000 0.410 3041 c C 0.981 175.061 174.090 -0.017 0.000 1.404 3041 c CA -0.427 55.941 56.329 0.065 0.000 1.651 3041 c CB -1.207 41.363 42.510 0.100 0.000 2.495 3041 c HN 0.302 nan 8.230 nan 0.000 0.606 3042 Q N 1.840 121.609 119.800 -0.051 0.000 2.194 3042 Q HA 0.312 4.653 4.340 0.002 0.000 0.245 3042 Q C 0.239 176.140 176.000 -0.165 0.000 0.993 3042 Q CA -0.484 55.241 55.803 -0.131 0.000 0.930 3042 Q CB 0.457 29.078 28.738 -0.194 0.000 1.238 3042 Q HN 0.789 nan 8.270 nan 0.000 0.486 3043 N N 1.741 120.305 118.700 -0.226 0.000 2.688 3043 N HA -0.223 4.518 4.740 0.002 0.000 0.258 3043 N C -0.532 174.964 175.510 -0.023 0.000 1.016 3043 N CA 0.450 53.388 53.050 -0.187 0.000 0.747 3043 N CB -0.393 37.820 38.487 -0.456 0.000 0.895 3043 N HN 0.619 nan 8.380 nan 0.000 0.543 3044 R N -3.763 116.718 120.500 -0.031 0.000 4.000 3044 R HA -0.165 4.176 4.340 0.002 0.000 0.362 3044 R C 1.038 177.361 176.300 0.039 0.000 1.183 3044 R CA 1.334 57.436 56.100 0.002 0.000 1.011 3044 R CB -2.314 27.998 30.300 0.020 0.000 1.501 3044 R HN 0.599 nan 8.270 nan 0.000 0.553 3045 G N 0.690 109.510 108.800 0.034 0.000 2.664 3045 G HA2 0.228 4.189 3.960 0.002 0.000 0.242 3045 G HA3 0.228 4.189 3.960 0.002 0.000 0.242 3045 G C -0.416 174.525 174.900 0.068 0.000 1.225 3045 G CA -0.281 44.857 45.100 0.064 0.000 0.849 3045 G HN 0.192 nan 8.290 nan 0.000 0.581 3046 E N -0.961 119.293 120.200 0.091 0.000 2.176 3046 E HA 0.359 4.710 4.350 0.002 0.000 0.267 3046 E C -0.732 175.939 176.600 0.118 0.000 0.893 3046 E CA -0.639 55.826 56.400 0.109 0.000 0.761 3046 E CB 1.543 31.322 29.700 0.132 0.000 1.133 3046 E HN 0.488 nan 8.360 nan 0.000 0.409 3047 c N 5.399 124.072 118.600 0.121 0.000 2.388 3047 c HA 0.700 5.271 4.570 0.002 0.000 0.362 3047 c C -0.419 173.769 174.090 0.163 0.000 1.266 3047 c CA -0.447 55.985 56.329 0.171 0.000 2.028 3047 c CB -0.713 41.885 42.510 0.146 0.000 2.440 3047 c HN 0.874 nan 8.230 nan 0.000 0.547 3048 M N 5.553 125.257 119.600 0.173 0.000 2.267 3048 M HA 0.425 4.906 4.480 0.002 0.000 0.289 3048 M C -0.072 176.311 176.300 0.138 0.000 1.043 3048 M CA -0.040 55.341 55.300 0.136 0.000 0.928 3048 M CB 1.876 34.532 32.600 0.093 0.000 1.613 3048 M HN 0.627 nan 8.290 nan 0.000 0.450 3049 S N 2.384 118.157 115.700 0.122 0.000 2.670 3049 S HA 0.125 4.596 4.470 0.002 0.000 0.328 3049 S C 0.716 175.347 174.600 0.050 0.000 1.179 3049 S CA -0.079 58.182 58.200 0.102 0.000 1.194 3049 S CB -1.087 62.154 63.200 0.069 0.000 1.359 3049 S HN 0.775 nan 8.310 nan 0.000 0.555 3050 T N 0.217 114.803 114.554 0.053 0.000 3.467 3050 T HA 0.544 4.895 4.350 0.002 0.000 0.232 3050 T C 0.758 175.465 174.700 0.012 0.000 0.876 3050 T CA -0.061 62.047 62.100 0.013 0.000 0.939 3050 T CB -1.087 67.776 68.868 -0.009 0.000 1.165 3050 T HN 1.368 nan 8.240 nan 0.000 0.615 3051 G N 0.221 109.014 108.800 -0.013 0.000 2.362 3051 G HA2 0.061 4.022 3.960 0.002 0.000 0.656 3051 G HA3 0.061 4.022 3.960 0.002 0.000 0.656 3051 G C -0.138 174.774 174.900 0.019 0.000 1.376 3051 G CA -0.710 44.377 45.100 -0.020 0.000 0.971 3051 G HN 0.133 nan 8.290 nan 0.000 0.636 3052 F N 0.090 120.071 119.950 0.053 0.000 2.085 3052 F HA -0.076 4.452 4.527 0.002 0.000 0.299 3052 F C 1.924 177.758 175.800 0.057 0.000 1.096 3052 F CA 2.182 60.213 58.000 0.052 0.000 1.227 3052 F CB 0.250 39.274 39.000 0.041 0.000 0.983 3052 F HN 0.340 nan 8.300 nan 0.000 0.482 3053 D N 0.014 120.569 120.400 0.260 0.000 2.891 3053 D HA 0.147 4.789 4.640 0.002 0.000 0.312 3053 D C -0.446 175.951 176.300 0.161 0.000 1.354 3053 D CA 0.168 54.273 54.000 0.175 0.000 0.838 3053 D CB 0.206 41.087 40.800 0.134 0.000 1.117 3053 D HN 0.363 nan 8.370 nan 0.000 0.473 3054 Q N 0.101 120.007 119.800 0.176 0.000 2.482 3054 Q HA 0.475 4.816 4.340 0.002 0.000 0.286 3054 Q C -0.995 175.157 176.000 0.254 0.000 1.007 3054 Q CA -1.106 54.818 55.803 0.202 0.000 0.801 3054 Q CB 2.279 31.085 28.738 0.113 0.000 1.455 3054 Q HN 0.201 nan 8.270 nan 0.000 0.398 3055 Y N -1.101 119.220 120.300 0.034 0.000 2.889 3055 Y HA 0.881 5.432 4.550 0.002 0.000 0.317 3055 Y C -1.584 174.334 175.900 0.029 0.000 1.414 3055 Y CA -1.146 56.972 58.100 0.030 0.000 1.091 3055 Y CB 1.926 40.403 38.460 0.029 0.000 1.358 3055 Y HN 0.727 nan 8.280 nan 0.000 0.487 3056 K N 0.260 120.527 120.400 -0.221 0.000 2.557 3056 K HA 0.623 4.944 4.320 0.002 0.000 0.261 3056 K C -2.459 174.111 176.600 -0.050 0.000 0.932 3056 K CA -0.226 55.892 56.287 -0.281 0.000 0.829 3056 K CB 1.928 34.354 32.500 -0.123 0.000 1.358 3056 K HN 0.954 nan 8.250 nan 0.000 0.430 3057 c N 2.630 121.195 118.600 -0.059 0.000 2.303 3057 c HA 0.437 5.008 4.570 0.002 0.000 0.326 3057 c C -0.625 173.497 174.090 0.053 0.000 1.285 3057 c CA -0.749 55.615 56.329 0.057 0.000 1.675 3057 c CB 0.665 43.228 42.510 0.087 0.000 2.289 3057 c HN 0.768 nan 8.230 nan 0.000 0.512 3058 D N 2.463 122.907 120.400 0.073 0.000 2.563 3058 D HA 0.139 4.780 4.640 0.002 0.000 0.222 3058 D C -0.144 176.208 176.300 0.087 0.000 1.145 3058 D CA -0.073 53.969 54.000 0.070 0.000 1.001 3058 D CB 0.424 41.267 40.800 0.071 0.000 1.049 3058 D HN 0.686 nan 8.370 nan 0.000 0.515 3059 c N 2.845 121.505 118.600 0.100 0.000 3.183 3059 c HA 0.195 4.766 4.570 0.002 0.000 0.545 3059 c C 0.895 175.061 174.090 0.127 0.000 1.044 3059 c CA -0.696 55.715 56.329 0.137 0.000 1.117 3059 c CB -1.890 40.727 42.510 0.179 0.000 1.393 3059 c HN 0.289 nan 8.230 nan 0.000 0.611 3060 T N 1.400 116.014 114.554 0.100 0.000 2.744 3060 T HA 0.352 4.703 4.350 0.002 0.000 0.291 3060 T C 0.894 175.644 174.700 0.082 0.000 0.957 3060 T CA -0.298 61.849 62.100 0.079 0.000 1.002 3060 T CB 0.529 69.431 68.868 0.057 0.000 0.919 3060 T HN 0.676 nan 8.240 nan 0.000 0.468 3061 R N 0.391 120.936 120.500 0.073 0.000 4.000 3061 R HA -0.236 4.105 4.340 0.002 0.000 0.362 3061 R C 1.786 178.144 176.300 0.096 0.000 1.183 3061 R CA 1.349 57.489 56.100 0.068 0.000 1.011 3061 R CB -2.166 28.168 30.300 0.058 0.000 1.501 3061 R HN 0.898 nan 8.270 nan 0.000 0.553 3062 T N -4.859 109.776 114.554 0.136 0.000 2.809 3062 T HA 0.150 4.501 4.350 0.002 0.000 0.260 3062 T C 1.569 176.395 174.700 0.210 0.000 1.039 3062 T CA 1.270 63.504 62.100 0.225 0.000 1.141 3062 T CB 0.235 69.279 68.868 0.294 0.000 0.869 3062 T HN 0.709 nan 8.240 nan 0.000 0.437 3063 G N 0.666 109.502 108.800 0.060 0.000 2.175 3063 G HA2 -0.009 3.952 3.960 0.002 0.000 0.182 3063 G HA3 -0.009 3.952 3.960 0.002 0.000 0.182 3063 G C -0.195 174.308 174.900 -0.661 0.000 1.003 3063 G CA -0.352 44.559 45.100 -0.314 0.000 0.666 3063 G HN 0.563 nan 8.290 nan 0.000 0.506 3064 F N 0.166 120.181 119.950 0.108 0.000 2.591 3064 F HA 0.704 5.232 4.527 0.002 0.000 0.309 3064 F C 0.566 176.455 175.800 0.149 0.000 1.098 3064 F CA -1.468 56.564 58.000 0.054 0.000 0.937 3064 F CB 0.902 39.885 39.000 -0.027 0.000 1.250 3064 F HN 0.156 nan 8.300 nan 0.000 0.447 3065 Y N 0.240 120.655 120.300 0.190 0.000 3.045 3065 Y HA 0.894 5.445 4.550 0.002 0.000 0.391 3065 Y C 0.950 176.919 175.900 0.116 0.000 1.234 3065 Y CA -1.360 56.812 58.100 0.118 0.000 1.281 3065 Y CB -0.340 38.163 38.460 0.071 0.000 1.401 3065 Y HN 0.892 nan 8.280 nan 0.000 0.837 3066 G N 0.359 109.307 108.800 0.247 0.000 2.750 3066 G HA2 -0.288 3.673 3.960 0.002 0.000 0.686 3066 G HA3 -0.288 3.673 3.960 0.002 0.000 0.686 3066 G C 0.303 175.254 174.900 0.086 0.000 1.395 3066 G CA 0.192 45.356 45.100 0.107 0.000 0.918 3066 G HN 1.054 nan 8.290 nan 0.000 0.594 3067 E N 0.533 120.766 120.200 0.055 0.000 2.233 3067 E HA -0.232 4.119 4.350 0.002 0.000 0.199 3067 E C 1.490 178.118 176.600 0.047 0.000 1.004 3067 E CA 1.703 58.114 56.400 0.017 0.000 0.819 3067 E CB -0.069 29.632 29.700 0.003 0.000 0.738 3067 E HN 0.472 nan 8.360 nan 0.000 0.478 3068 N N -0.773 117.969 118.700 0.070 0.000 2.187 3068 N HA 0.078 4.819 4.740 0.002 0.000 0.212 3068 N C -0.490 175.041 175.510 0.036 0.000 1.152 3068 N CA 0.612 53.713 53.050 0.084 0.000 0.872 3068 N CB 0.542 39.071 38.487 0.070 0.000 1.025 3068 N HN 0.162 nan 8.380 nan 0.000 0.514 3069 c N 0.574 119.206 118.600 0.053 0.000 4.529 3069 c HA -0.128 4.444 4.570 0.002 0.000 0.296 3069 c C 1.892 175.960 174.090 -0.037 0.000 1.353 3069 c CA 0.936 57.308 56.329 0.072 0.000 2.011 3069 c CB -2.895 39.648 42.510 0.055 0.000 1.235 3069 c HN 0.563 nan 8.230 nan 0.000 0.784 3070 T N -3.118 111.418 114.554 -0.030 0.000 3.053 3070 T HA 0.084 4.435 4.350 0.002 0.000 0.236 3070 T C 0.678 175.413 174.700 0.059 0.000 0.996 3070 T CA 1.014 63.061 62.100 -0.089 0.000 1.185 3070 T CB -0.396 68.428 68.868 -0.072 0.000 0.892 3070 T HN 0.514 nan 8.240 nan 0.000 0.432 3071 T N 5.433 119.921 114.554 -0.110 0.000 2.822 3071 T HA 0.220 4.571 4.350 0.002 0.000 0.288 3071 T C -2.331 172.133 174.700 -0.393 0.000 0.991 3071 T CA -0.638 61.244 62.100 -0.362 0.000 1.176 3071 T CB 0.270 68.647 68.868 -0.819 0.000 0.951 3071 T HN 0.347 nan 8.240 nan 0.000 0.526 3072 P HA 0.410 nan 4.420 nan 0.000 0.283 3072 P C -0.256 176.994 177.300 -0.084 0.000 1.278 3072 P CA -0.782 62.176 63.100 -0.235 0.000 0.834 3072 P CB 1.311 32.911 31.700 -0.166 0.000 1.150 3073 E N -0.671 119.504 120.200 -0.042 0.000 2.267 3073 E HA 0.218 4.569 4.350 0.002 0.000 0.258 3073 E C 0.620 177.283 176.600 0.106 0.000 1.074 3073 E CA -0.623 55.883 56.400 0.177 0.000 0.915 3073 E CB 0.374 30.146 29.700 0.119 0.000 1.186 3073 E HN 0.271 nan 8.360 nan 0.000 0.439 3074 F N 1.033 120.990 119.950 0.011 0.000 1.997 3074 F HA -0.230 4.298 4.527 0.002 0.000 0.296 3074 F C 2.069 177.849 175.800 -0.034 0.000 1.160 3074 F CA 1.449 59.445 58.000 -0.008 0.000 1.176 3074 F CB -0.460 38.540 39.000 0.000 0.000 0.964 3074 F HN 0.420 nan 8.300 nan 0.000 0.484 3075 L N 0.324 121.599 121.223 0.087 0.000 2.151 3075 L HA -0.263 4.078 4.340 0.002 0.000 0.215 3075 L C 2.123 178.920 176.870 -0.122 0.000 1.084 3075 L CA 2.519 57.339 54.840 -0.032 0.000 0.764 3075 L CB -1.494 40.574 42.059 0.014 0.000 0.891 3075 L HN 0.331 nan 8.230 nan 0.000 0.435 3076 T N 0.097 114.564 114.554 -0.144 0.000 2.622 3076 T HA -0.207 4.144 4.350 0.002 0.000 0.266 3076 T C 1.845 176.433 174.700 -0.188 0.000 1.047 3076 T CA 1.803 63.772 62.100 -0.219 0.000 1.159 3076 T CB -0.303 68.322 68.868 -0.405 0.000 0.863 3076 T HN 0.455 nan 8.240 nan 0.000 0.422 3077 R N 1.208 121.578 120.500 -0.216 0.000 2.103 3077 R HA -0.095 4.246 4.340 0.002 0.000 0.234 3077 R C 2.455 178.622 176.300 -0.221 0.000 1.132 3077 R CA 1.609 57.580 56.100 -0.215 0.000 0.925 3077 R CB -1.119 28.994 30.300 -0.312 0.000 0.842 3077 R HN 0.367 nan 8.270 nan 0.000 0.430 3078 I N 1.517 121.892 120.570 -0.325 0.000 2.399 3078 I HA -0.233 3.938 4.170 0.002 0.000 0.254 3078 I C 2.100 178.136 176.117 -0.135 0.000 1.146 3078 I CA 1.427 62.584 61.300 -0.239 0.000 1.412 3078 I CB -1.078 36.773 38.000 -0.248 0.000 1.076 3078 I HN 0.217 nan 8.210 nan 0.000 0.432 3079 K N 0.789 121.116 120.400 -0.122 0.000 2.103 3079 K HA -0.011 4.310 4.320 0.002 0.000 0.204 3079 K C 2.262 178.831 176.600 -0.051 0.000 1.052 3079 K CA 0.971 57.210 56.287 -0.080 0.000 0.945 3079 K CB -0.026 32.424 32.500 -0.083 0.000 0.722 3079 K HN 0.336 nan 8.250 nan 0.000 0.443 3080 L N 0.726 121.921 121.223 -0.047 0.000 2.131 3080 L HA -0.044 4.297 4.340 0.002 0.000 0.206 3080 L C 1.489 178.347 176.870 -0.019 0.000 1.087 3080 L CA 0.560 55.395 54.840 -0.008 0.000 0.767 3080 L CB -0.251 41.819 42.059 0.018 0.000 0.917 3080 L HN 0.108 nan 8.230 nan 0.000 0.441 3081 L N 0.925 122.119 121.223 -0.048 0.000 2.855 3081 L HA 0.071 4.412 4.340 0.002 0.000 0.245 3081 L C 0.619 177.464 176.870 -0.042 0.000 1.276 3081 L CA 0.317 55.129 54.840 -0.047 0.000 1.118 3081 L CB -0.262 41.754 42.059 -0.071 0.000 1.444 3081 L HN 0.345 nan 8.230 nan 0.000 0.440 3082 L N -0.698 120.506 121.223 -0.031 0.000 4.070 3082 L HA 0.163 4.504 4.340 0.002 0.000 0.398 3082 L C 0.275 177.140 176.870 -0.009 0.000 1.215 3082 L CA 0.034 54.859 54.840 -0.026 0.000 1.332 3082 L CB 0.625 42.663 42.059 -0.036 0.000 1.499 3082 L HN 0.089 nan 8.230 nan 0.000 0.613 3083 K N 3.424 123.826 120.400 0.003 0.000 2.354 3083 K HA 0.387 4.708 4.320 0.002 0.000 0.257 3083 K C -2.304 174.318 176.600 0.037 0.000 1.062 3083 K CA -1.392 54.912 56.287 0.029 0.000 0.971 3083 K CB 1.195 33.719 32.500 0.040 0.000 1.305 3083 K HN -0.128 nan 8.250 nan 0.000 0.449 3084 P HA 0.003 nan 4.420 nan 0.000 0.276 3084 P C -0.152 177.189 177.300 0.069 0.000 1.235 3084 P CA -0.217 62.908 63.100 0.043 0.000 0.772 3084 P CB 0.839 32.559 31.700 0.033 0.000 0.871 3085 T N 2.133 116.725 114.554 0.063 0.000 2.946 3085 T HA 0.035 4.386 4.350 0.002 0.000 0.312 3085 T C -1.198 173.571 174.700 0.114 0.000 1.066 3085 T CA -0.918 61.231 62.100 0.081 0.000 1.138 3085 T CB -0.106 68.803 68.868 0.068 0.000 1.014 3085 T HN 0.283 nan 8.240 nan 0.000 0.544 3086 P HA -0.138 nan 4.420 nan 0.000 0.216 3086 P C 1.194 178.626 177.300 0.220 0.000 1.150 3086 P CA 1.256 64.457 63.100 0.168 0.000 0.843 3086 P CB 0.008 31.801 31.700 0.154 0.000 0.787 3087 N N -0.652 118.166 118.700 0.196 0.000 2.084 3087 N HA -0.100 4.641 4.740 0.002 0.000 0.190 3087 N C 1.860 177.503 175.510 0.222 0.000 1.030 3087 N CA 1.602 54.781 53.050 0.216 0.000 0.849 3087 N CB -1.477 37.100 38.487 0.149 0.000 1.012 3087 N HN 0.160 nan 8.380 nan 0.000 0.423 3088 T N 1.743 116.388 114.554 0.153 0.000 2.580 3088 T HA -0.124 4.227 4.350 0.002 0.000 0.265 3088 T C 2.175 177.009 174.700 0.224 0.000 1.063 3088 T CA 2.037 64.210 62.100 0.122 0.000 1.170 3088 T CB -0.647 68.256 68.868 0.059 0.000 0.863 3088 T HN 0.016 nan 8.240 nan 0.000 0.418 3089 V N 1.774 121.803 119.914 0.191 0.000 2.219 3089 V HA -0.286 3.835 4.120 0.002 0.000 0.248 3089 V C 2.364 178.603 176.094 0.243 0.000 1.053 3089 V CA 2.386 64.797 62.300 0.185 0.000 1.009 3089 V CB -1.228 30.686 31.823 0.152 0.000 0.636 3089 V HN 0.543 nan 8.190 nan 0.000 0.445 3090 H N -0.179 118.968 119.070 0.128 0.000 2.330 3090 H HA -0.308 4.249 4.556 0.002 0.000 0.290 3090 H C 2.154 177.601 175.328 0.198 0.000 1.111 3090 H CA 2.681 58.803 56.048 0.123 0.000 1.226 3090 H CB -0.800 29.097 29.762 0.225 0.000 1.355 3090 H HN 0.601 nan 8.280 nan 0.000 0.485 3091 Y N 1.522 121.982 120.300 0.267 0.000 2.014 3091 Y HA -0.261 4.290 4.550 0.002 0.000 0.270 3091 Y C 2.884 179.095 175.900 0.517 0.000 1.145 3091 Y CA 2.860 61.142 58.100 0.303 0.000 1.106 3091 Y CB -0.581 37.959 38.460 0.134 0.000 0.968 3091 Y HN 0.216 nan 8.280 nan 0.000 0.484 3092 I N -0.487 120.502 120.570 0.700 0.000 2.300 3092 I HA -0.315 3.856 4.170 0.002 0.000 0.252 3092 I C 2.124 178.626 176.117 0.641 0.000 1.119 3092 I CA 1.216 62.854 61.300 0.563 0.000 1.384 3092 I CB -1.355 36.774 38.000 0.215 0.000 1.062 3092 I HN 0.350 nan 8.210 nan 0.000 0.426 3093 L N 1.438 122.896 121.223 0.393 0.000 2.141 3093 L HA -0.092 4.249 4.340 0.002 0.000 0.209 3093 L C 2.562 179.509 176.870 0.128 0.000 1.094 3093 L CA 2.363 57.236 54.840 0.055 0.000 0.763 3093 L CB -1.545 40.001 42.059 -0.855 0.000 0.908 3093 L HN 0.480 nan 8.230 nan 0.000 0.437 3094 T N -4.839 109.867 114.554 0.253 0.000 3.122 3094 T HA 0.144 4.495 4.350 0.002 0.000 0.250 3094 T C 0.637 175.336 174.700 -0.001 0.000 1.067 3094 T CA -0.079 62.046 62.100 0.043 0.000 0.966 3094 T CB -0.034 68.819 68.868 -0.024 0.000 1.002 3094 T HN 0.242 nan 8.240 nan 0.000 0.542 3095 H N -0.747 118.617 119.070 0.490 0.000 3.605 3095 H HA 0.558 5.115 4.556 0.002 0.000 0.307 3095 H C -0.100 175.623 175.328 0.658 0.000 1.692 3095 H CA -1.602 54.681 56.048 0.392 0.000 1.453 3095 H CB 0.080 29.768 29.762 -0.123 0.000 1.511 3095 H HN -0.024 nan 8.280 nan 0.000 0.809 3096 F N -0.234 119.852 119.950 0.227 0.000 3.100 3096 F HA -0.335 4.193 4.527 0.002 0.000 0.274 3096 F C 1.934 177.715 175.800 -0.031 0.000 0.910 3096 F CA 1.036 59.047 58.000 0.018 0.000 0.932 3096 F CB -1.534 37.375 39.000 -0.152 0.000 1.007 3096 F HN 0.518 nan 8.300 nan 0.000 0.609 3097 K N 0.868 121.322 120.400 0.089 0.000 2.169 3097 K HA -0.314 4.007 4.320 0.002 0.000 0.213 3097 K C 2.310 178.889 176.600 -0.035 0.000 1.050 3097 K CA 2.136 58.257 56.287 -0.276 0.000 0.935 3097 K CB -0.868 31.159 32.500 -0.787 0.000 0.722 3097 K HN 0.542 nan 8.250 nan 0.000 0.468 3098 G N 0.400 109.189 108.800 -0.017 0.000 2.459 3098 G HA2 -0.268 3.693 3.960 0.002 0.000 0.217 3098 G HA3 -0.268 3.693 3.960 0.002 0.000 0.217 3098 G C 1.520 176.438 174.900 0.031 0.000 1.183 3098 G CA 0.964 46.068 45.100 0.006 0.000 0.776 3098 G HN 0.255 nan 8.290 nan 0.000 0.552 3099 V N -0.189 119.731 119.914 0.009 0.000 2.287 3099 V HA -0.181 3.940 4.120 0.002 0.000 0.248 3099 V C 2.483 178.571 176.094 -0.011 0.000 1.053 3099 V CA 2.030 64.290 62.300 -0.066 0.000 1.027 3099 V CB -0.514 31.191 31.823 -0.197 0.000 0.646 3099 V HN 0.641 nan 8.190 nan 0.000 0.447 3100 W N -0.163 121.194 121.300 0.095 0.000 2.331 3100 W HA -0.257 4.404 4.660 0.002 0.000 0.291 3100 W C 2.451 179.017 176.519 0.078 0.000 1.214 3100 W CA 1.359 58.779 57.345 0.126 0.000 1.228 3100 W CB -0.379 29.198 29.460 0.194 0.000 1.135 3100 W HN 0.313 nan 8.180 nan 0.000 0.537 3101 N N 0.438 119.292 118.700 0.257 0.000 2.244 3101 N HA -0.149 4.592 4.740 0.002 0.000 0.183 3101 N C 1.356 176.930 175.510 0.105 0.000 1.016 3101 N CA 1.438 54.575 53.050 0.145 0.000 0.866 3101 N CB -0.310 38.225 38.487 0.079 0.000 0.980 3101 N HN 0.041 nan 8.380 nan 0.000 0.430 3102 I N -0.854 119.768 120.570 0.087 0.000 2.113 3102 I HA -0.228 3.943 4.170 0.002 0.000 0.238 3102 I C 2.135 178.280 176.117 0.047 0.000 1.070 3102 I CA 0.763 62.089 61.300 0.045 0.000 1.332 3102 I CB -0.411 37.597 38.000 0.014 0.000 1.044 3102 I HN -0.006 nan 8.210 nan 0.000 0.402 3103 V N 0.812 120.785 119.914 0.098 0.000 2.343 3103 V HA -0.255 3.866 4.120 0.002 0.000 0.247 3103 V C 1.237 177.400 176.094 0.115 0.000 1.051 3103 V CA 1.684 64.054 62.300 0.117 0.000 1.036 3103 V CB -0.757 31.231 31.823 0.274 0.000 0.654 3103 V HN 0.440 nan 8.190 nan 0.000 0.451 3104 N N 1.305 120.097 118.700 0.153 0.000 2.738 3104 N HA -0.044 4.697 4.740 0.002 0.000 0.220 3104 N C 0.084 175.597 175.510 0.005 0.000 1.546 3104 N CA 0.219 53.297 53.050 0.046 0.000 0.924 3104 N CB -0.953 37.563 38.487 0.048 0.000 1.271 3104 N HN 0.255 nan 8.380 nan 0.000 0.504 3105 I N 0.076 120.581 120.570 -0.108 0.000 2.820 3105 I HA -0.287 3.884 4.170 0.002 0.000 0.126 3105 I C -1.024 174.893 176.117 -0.334 0.000 0.892 3105 I CA -0.157 60.966 61.300 -0.295 0.000 2.783 3105 I CB -0.740 36.975 38.000 -0.475 0.000 0.637 3105 I HN 0.123 nan 8.210 nan 0.000 0.351 3106 P HA -0.285 nan 4.420 nan 0.000 0.214 3106 P C 1.789 179.128 177.300 0.066 0.000 1.099 3106 P CA 2.470 65.590 63.100 0.033 0.000 0.976 3106 P CB -0.147 31.656 31.700 0.172 0.000 0.774 3107 F N -1.755 118.247 119.950 0.087 0.000 2.087 3107 F HA -0.201 4.327 4.527 0.002 0.000 0.299 3107 F C 2.396 178.266 175.800 0.115 0.000 1.100 3107 F CA 1.005 59.060 58.000 0.092 0.000 1.226 3107 F CB -1.897 37.149 39.000 0.076 0.000 0.983 3107 F HN -0.160 nan 8.300 nan 0.000 0.479 3108 L N 0.304 121.342 121.223 -0.309 0.000 1.955 3108 L HA -0.240 4.101 4.340 0.002 0.000 0.213 3108 L C 2.982 179.919 176.870 0.111 0.000 1.072 3108 L CA 2.006 56.785 54.840 -0.101 0.000 0.755 3108 L CB -0.642 41.273 42.059 -0.240 0.000 0.888 3108 L HN 0.187 nan 8.230 nan 0.000 0.432 3109 R N -0.101 120.472 120.500 0.121 0.000 2.143 3109 R HA -0.231 4.110 4.340 0.002 0.000 0.239 3109 R C 2.359 178.886 176.300 0.379 0.000 1.126 3109 R CA 2.518 58.808 56.100 0.318 0.000 0.927 3109 R CB -0.393 29.975 30.300 0.113 0.000 0.860 3109 R HN 0.285 nan 8.270 nan 0.000 0.433 3110 S N 1.374 117.213 115.700 0.231 0.000 2.359 3110 S HA -0.233 4.238 4.470 0.002 0.000 0.222 3110 S C 1.937 176.661 174.600 0.208 0.000 1.038 3110 S CA 1.533 59.859 58.200 0.210 0.000 1.051 3110 S CB -0.738 62.560 63.200 0.164 0.000 0.944 3110 S HN 0.515 nan 8.310 nan 0.000 0.433 3111 L N 1.637 122.978 121.223 0.196 0.000 2.064 3111 L HA -0.190 4.151 4.340 0.002 0.000 0.216 3111 L C 1.845 178.819 176.870 0.174 0.000 1.077 3111 L CA 1.830 56.776 54.840 0.175 0.000 0.766 3111 L CB -0.560 41.603 42.059 0.173 0.000 0.890 3111 L HN 0.213 nan 8.230 nan 0.000 0.435 3112 I N -0.841 119.838 120.570 0.181 0.000 2.130 3112 I HA -0.220 3.951 4.170 0.002 0.000 0.234 3112 I C 2.552 178.701 176.117 0.053 0.000 1.067 3112 I CA 1.809 63.159 61.300 0.083 0.000 1.339 3112 I CB -1.202 36.755 38.000 -0.072 0.000 1.073 3112 I HN 0.444 nan 8.210 nan 0.000 0.405 3113 M N 1.642 121.328 119.600 0.144 0.000 2.128 3113 M HA -0.311 4.170 4.480 0.002 0.000 0.253 3113 M C 2.241 178.601 176.300 0.101 0.000 1.079 3113 M CA 2.247 57.691 55.300 0.241 0.000 1.082 3113 M CB -0.627 32.248 32.600 0.457 0.000 1.335 3113 M HN 0.248 nan 8.290 nan 0.000 0.401 3114 K N -1.325 119.140 120.400 0.108 0.000 1.985 3114 K HA -0.263 4.058 4.320 0.002 0.000 0.210 3114 K C 2.117 178.721 176.600 0.006 0.000 1.047 3114 K CA 1.966 58.283 56.287 0.049 0.000 0.932 3114 K CB -1.013 31.535 32.500 0.080 0.000 0.716 3114 K HN 0.509 nan 8.250 nan 0.000 0.439 3115 Y N 1.734 122.033 120.300 -0.002 0.000 2.102 3115 Y HA -0.315 4.236 4.550 0.002 0.000 0.280 3115 Y C 2.037 177.926 175.900 -0.017 0.000 1.178 3115 Y CA 2.184 60.277 58.100 -0.013 0.000 1.146 3115 Y CB -0.838 37.604 38.460 -0.030 0.000 0.968 3115 Y HN 0.055 nan 8.280 nan 0.000 0.504 3116 V N -0.050 119.592 119.914 -0.454 0.000 2.295 3116 V HA -0.226 3.895 4.120 0.002 0.000 0.246 3116 V C 2.211 178.126 176.094 -0.299 0.000 1.049 3116 V CA 2.015 64.041 62.300 -0.455 0.000 1.024 3116 V CB -0.933 30.821 31.823 -0.114 0.000 0.648 3116 V HN 0.462 nan 8.190 nan 0.000 0.447 3117 L N 1.832 122.951 121.223 -0.173 0.000 1.970 3117 L HA -0.148 4.193 4.340 0.002 0.000 0.212 3117 L C 3.057 179.835 176.870 -0.152 0.000 1.071 3117 L CA 3.180 57.937 54.840 -0.139 0.000 0.751 3117 L CB -1.953 40.029 42.059 -0.129 0.000 0.889 3117 L HN 0.762 nan 8.230 nan 0.000 0.432 3118 T N -3.408 111.050 114.554 -0.159 0.000 2.788 3118 T HA -0.145 4.206 4.350 0.002 0.000 0.268 3118 T C 2.028 176.668 174.700 -0.099 0.000 1.044 3118 T CA 1.358 63.399 62.100 -0.098 0.000 1.139 3118 T CB -0.691 68.140 68.868 -0.062 0.000 0.867 3118 T HN 0.387 nan 8.240 nan 0.000 0.454 3119 S N 2.604 118.127 115.700 -0.295 0.000 2.359 3119 S HA -0.191 4.280 4.470 0.002 0.000 0.223 3119 S C 2.132 176.766 174.600 0.056 0.000 1.039 3119 S CA 0.879 58.938 58.200 -0.235 0.000 1.042 3119 S CB -0.461 62.405 63.200 -0.556 0.000 0.915 3119 S HN 0.506 nan 8.310 nan 0.000 0.439 3120 R N 1.745 122.242 120.500 -0.005 0.000 2.124 3120 R HA 0.016 4.357 4.340 0.002 0.000 0.215 3120 R C 2.460 178.806 176.300 0.075 0.000 1.145 3120 R CA 1.202 57.324 56.100 0.037 0.000 0.898 3120 R CB -1.497 28.804 30.300 0.001 0.000 0.790 3120 R HN 0.544 nan 8.270 nan 0.000 0.458 3121 S N 1.365 117.095 115.700 0.050 0.000 2.521 3121 S HA -0.381 4.090 4.470 0.002 0.000 0.517 3121 S C 1.698 176.345 174.600 0.080 0.000 0.973 3121 S CA 2.477 60.736 58.200 0.098 0.000 3.182 3121 S CB -1.928 61.348 63.200 0.126 0.000 2.244 3121 S HN 0.721 nan 8.310 nan 0.000 0.529 3122 Y N 2.178 122.475 120.300 -0.005 0.000 2.874 3122 Y HA 0.208 4.759 4.550 0.002 0.000 0.311 3122 Y C 1.627 177.496 175.900 -0.052 0.000 1.174 3122 Y CA 0.548 58.638 58.100 -0.016 0.000 1.414 3122 Y CB -0.275 38.179 38.460 -0.010 0.000 0.987 3122 Y HN 0.255 nan 8.280 nan 0.000 0.547 3123 L N 0.579 121.471 121.223 -0.552 0.000 2.262 3123 L HA 0.145 4.486 4.340 0.002 0.000 0.197 3123 L C 1.254 177.864 176.870 -0.434 0.000 1.073 3123 L CA 0.292 54.726 54.840 -0.677 0.000 0.800 3123 L CB -0.308 41.376 42.059 -0.625 0.000 0.987 3123 L HN 0.182 nan 8.230 nan 0.000 0.470 3124 I N 0.180 120.610 120.570 -0.234 0.000 2.938 3124 I HA -0.018 4.153 4.170 0.002 0.000 0.285 3124 I C -0.196 175.887 176.117 -0.058 0.000 1.182 3124 I CA 0.078 61.324 61.300 -0.089 0.000 1.388 3124 I CB -0.141 37.882 38.000 0.038 0.000 1.390 3124 I HN 0.129 nan 8.210 nan 0.000 0.600 3125 D N 2.869 123.272 120.400 0.005 0.000 2.639 3125 D HA 0.181 4.822 4.640 0.002 0.000 0.233 3125 D C -0.217 176.083 176.300 -0.000 0.000 1.161 3125 D CA 0.315 54.319 54.000 0.006 0.000 1.003 3125 D CB 0.341 41.169 40.800 0.046 0.000 1.034 3125 D HN 0.342 nan 8.370 nan 0.000 0.514 3126 S N 1.865 117.549 115.700 -0.025 0.000 2.449 3126 S HA 0.508 4.979 4.470 0.002 0.000 0.310 3126 S C -2.369 172.203 174.600 -0.046 0.000 1.096 3126 S CA -1.408 56.766 58.200 -0.043 0.000 1.095 3126 S CB 1.037 64.183 63.200 -0.090 0.000 1.007 3126 S HN 0.127 nan 8.310 nan 0.000 0.474 3127 P HA 0.250 nan 4.420 nan 0.000 0.269 3127 P C -2.710 174.610 177.300 0.034 0.000 1.209 3127 P CA -1.144 61.976 63.100 0.033 0.000 0.776 3127 P CB -0.638 31.130 31.700 0.113 0.000 0.876 3128 P HA -0.107 nan 4.420 nan 0.000 0.268 3128 P C 0.647 177.938 177.300 -0.016 0.000 1.189 3128 P CA 0.556 63.658 63.100 0.003 0.000 0.771 3128 P CB 0.193 31.860 31.700 -0.056 0.000 0.822 3129 T N -0.645 113.870 114.554 -0.065 0.000 2.638 3129 T HA 0.232 4.583 4.350 0.002 0.000 0.169 3129 T C 0.372 174.931 174.700 -0.235 0.000 0.790 3129 T CA -0.114 61.832 62.100 -0.257 0.000 1.151 3129 T CB -0.544 68.033 68.868 -0.485 0.000 2.581 3129 T HN 0.216 nan 8.240 nan 0.000 0.391 3130 Y N 3.684 124.015 120.300 0.051 0.000 2.281 3130 Y HA 0.603 5.155 4.550 0.002 0.000 0.337 3130 Y C 0.920 176.855 175.900 0.059 0.000 1.304 3130 Y CA -0.622 57.514 58.100 0.061 0.000 1.465 3130 Y CB 0.177 38.665 38.460 0.047 0.000 1.350 3130 Y HN 0.867 nan 8.280 nan 0.000 0.575 3131 N N -3.186 115.675 118.700 0.268 0.000 3.344 3131 N HA 0.198 4.939 4.740 0.002 0.000 0.296 3131 N C -0.150 175.453 175.510 0.154 0.000 1.571 3131 N CA -0.663 52.515 53.050 0.213 0.000 0.844 3131 N CB 0.325 38.951 38.487 0.231 0.000 1.718 3131 N HN 0.316 nan 8.380 nan 0.000 0.589 3132 V N 0.540 120.527 119.914 0.122 0.000 2.218 3132 V HA -0.333 3.788 4.120 0.002 0.000 0.251 3132 V C 1.872 177.883 176.094 -0.138 0.000 1.057 3132 V CA 2.584 64.815 62.300 -0.115 0.000 1.022 3132 V CB -1.221 30.360 31.823 -0.403 0.000 0.645 3132 V HN 0.755 nan 8.190 nan 0.000 0.451 3133 H N -3.109 116.035 119.070 0.124 0.000 2.546 3133 H HA 0.073 4.630 4.556 0.002 0.000 0.277 3133 H C -0.190 174.832 175.328 -0.510 0.000 1.004 3133 H CA 0.411 56.355 56.048 -0.173 0.000 1.231 3133 H CB -0.032 29.625 29.762 -0.176 0.000 1.382 3133 H HN 0.474 nan 8.280 nan 0.000 0.580 3134 Y N -0.486 119.857 120.300 0.071 0.000 2.345 3134 Y HA 0.323 4.874 4.550 0.002 0.000 0.331 3134 Y C 1.104 176.978 175.900 -0.042 0.000 0.959 3134 Y CA -0.796 57.251 58.100 -0.088 0.000 1.204 3134 Y CB 1.949 40.421 38.460 0.019 0.000 1.135 3134 Y HN 0.056 nan 8.280 nan 0.000 0.477 3135 G N 2.466 111.177 108.800 -0.148 0.000 2.744 3135 G HA2 -0.024 3.937 3.960 0.002 0.000 0.211 3135 G HA3 -0.024 3.937 3.960 0.002 0.000 0.211 3135 G C -0.215 174.855 174.900 0.284 0.000 1.146 3135 G CA 0.289 45.364 45.100 -0.042 0.000 0.787 3135 G HN 0.509 nan 8.290 nan 0.000 0.534 3136 Y N -0.663 119.903 120.300 0.444 0.000 2.528 3136 Y HA 0.790 5.341 4.550 0.002 0.000 0.335 3136 Y C -0.093 175.917 175.900 0.183 0.000 1.093 3136 Y CA -3.443 54.875 58.100 0.363 0.000 1.134 3136 Y CB 0.565 39.154 38.460 0.215 0.000 1.253 3136 Y HN -0.261 nan 8.280 nan 0.000 0.478 3137 K N 1.494 122.027 120.400 0.222 0.000 2.448 3137 K HA 0.444 4.765 4.320 0.002 0.000 0.278 3137 K C -0.144 176.485 176.600 0.049 0.000 1.009 3137 K CA 0.251 56.506 56.287 -0.053 0.000 0.995 3137 K CB 0.451 32.862 32.500 -0.148 0.000 0.917 3137 K HN 0.878 nan 8.250 nan 0.000 0.481 3138 S N 2.222 117.893 115.700 -0.049 0.000 2.550 3138 S HA 0.197 4.668 4.470 0.002 0.000 0.270 3138 S C -0.033 174.469 174.600 -0.165 0.000 1.145 3138 S CA -1.048 57.080 58.200 -0.119 0.000 0.852 3138 S CB 0.501 63.564 63.200 -0.228 0.000 1.119 3138 S HN 0.834 nan 8.310 nan 0.000 0.465 3139 W N 2.239 123.442 121.300 -0.163 0.000 2.354 3139 W HA -0.103 4.558 4.660 0.002 0.000 0.315 3139 W C 1.753 178.214 176.519 -0.096 0.000 1.206 3139 W CA 2.428 59.729 57.345 -0.072 0.000 1.290 3139 W CB -0.507 28.913 29.460 -0.066 0.000 1.152 3139 W HN 1.054 nan 8.180 nan 0.000 0.489 3140 E N 1.117 121.230 120.200 -0.146 0.000 2.147 3140 E HA -0.219 4.132 4.350 0.002 0.000 0.199 3140 E C 1.927 178.267 176.600 -0.434 0.000 1.005 3140 E CA 2.390 58.652 56.400 -0.231 0.000 0.810 3140 E CB -0.718 28.821 29.700 -0.268 0.000 0.736 3140 E HN 0.174 nan 8.360 nan 0.000 0.460 3141 A N 0.449 122.914 122.820 -0.592 0.000 1.836 3141 A HA -0.119 4.202 4.320 0.002 0.000 0.212 3141 A C 2.180 179.518 177.584 -0.409 0.000 1.243 3141 A CA 1.442 53.188 52.037 -0.485 0.000 0.620 3141 A CB -1.571 17.221 19.000 -0.347 0.000 0.889 3141 A HN 0.505 nan 8.150 nan 0.000 0.463 3142 F N 1.926 121.562 119.950 -0.523 0.000 2.204 3142 F HA -0.302 4.226 4.527 0.002 0.000 0.301 3142 F C 2.388 177.806 175.800 -0.637 0.000 1.058 3142 F CA 2.206 59.862 58.000 -0.573 0.000 1.313 3142 F CB -0.122 38.451 39.000 -0.712 0.000 1.051 3142 F HN 0.312 nan 8.300 nan 0.000 0.505 3143 S N -0.480 114.748 115.700 -0.786 0.000 2.339 3143 S HA -0.055 4.416 4.470 0.002 0.000 0.213 3143 S C 1.036 175.400 174.600 -0.394 0.000 1.033 3143 S CA 0.199 58.016 58.200 -0.639 0.000 0.950 3143 S CB -0.942 62.022 63.200 -0.393 0.000 0.893 3143 S HN 0.377 nan 8.310 nan 0.000 0.492 3144 N N 1.975 120.531 118.700 -0.241 0.000 2.301 3144 N HA 0.020 4.761 4.740 0.002 0.000 0.267 3144 N C 0.382 175.850 175.510 -0.070 0.000 1.304 3144 N CA 0.234 53.248 53.050 -0.059 0.000 0.851 3144 N CB 0.259 38.820 38.487 0.123 0.000 1.070 3144 N HN 0.452 nan 8.380 nan 0.000 0.483 3145 L N 1.931 123.106 121.223 -0.080 0.000 2.585 3145 L HA 0.010 4.351 4.340 0.002 0.000 0.226 3145 L C 1.652 178.549 176.870 0.044 0.000 1.113 3145 L CA 0.227 54.972 54.840 -0.159 0.000 0.876 3145 L CB -0.039 41.861 42.059 -0.265 0.000 1.072 3145 L HN 0.474 nan 8.230 nan 0.000 0.468 3146 S N -1.603 114.166 115.700 0.116 0.000 2.496 3146 S HA -0.004 4.467 4.470 0.002 0.000 0.224 3146 S C 0.653 175.402 174.600 0.250 0.000 0.996 3146 S CA 0.103 58.363 58.200 0.101 0.000 0.927 3146 S CB -0.262 62.915 63.200 -0.039 0.000 0.774 3146 S HN 0.186 nan 8.310 nan 0.000 0.524 3147 Y N 0.592 121.037 120.300 0.242 0.000 2.260 3147 Y HA 0.394 4.945 4.550 0.002 0.000 0.339 3147 Y C 0.021 176.003 175.900 0.136 0.000 1.317 3147 Y CA -0.590 57.695 58.100 0.309 0.000 1.514 3147 Y CB 0.304 38.929 38.460 0.275 0.000 1.382 3147 Y HN 0.063 nan 8.280 nan 0.000 0.581 3148 Y N -0.037 120.420 120.300 0.263 0.000 2.364 3148 Y HA 0.241 4.792 4.550 0.002 0.000 0.340 3148 Y C 0.422 176.399 175.900 0.128 0.000 0.975 3148 Y CA -0.995 57.173 58.100 0.113 0.000 1.089 3148 Y CB 1.711 40.176 38.460 0.008 0.000 1.192 3148 Y HN 0.480 nan 8.280 nan 0.000 0.454 3149 T N 4.331 119.046 114.554 0.268 0.000 2.898 3149 T HA 0.347 4.698 4.350 0.002 0.000 0.301 3149 T C -0.207 174.582 174.700 0.148 0.000 1.049 3149 T CA -0.492 61.713 62.100 0.175 0.000 1.095 3149 T CB 0.267 69.204 68.868 0.115 0.000 0.976 3149 T HN 0.504 nan 8.240 nan 0.000 0.539 3150 R N 2.909 123.506 120.500 0.162 0.000 2.393 3150 R HA 0.491 4.832 4.340 0.002 0.000 0.315 3150 R C 1.045 177.490 176.300 0.240 0.000 0.952 3150 R CA -0.345 55.839 56.100 0.140 0.000 0.842 3150 R CB 1.371 31.699 30.300 0.047 0.000 1.163 3150 R HN 0.821 nan 8.270 nan 0.000 0.450 3151 A N 4.145 127.173 122.820 0.346 0.000 2.032 3151 A HA -0.052 4.269 4.320 0.002 0.000 0.221 3151 A C 0.749 178.494 177.584 0.268 0.000 1.165 3151 A CA 1.216 53.523 52.037 0.449 0.000 0.645 3151 A CB 0.086 19.590 19.000 0.840 0.000 0.807 3151 A HN 0.516 nan 8.150 nan 0.000 0.453 3152 L N -0.210 121.116 121.223 0.171 0.000 2.431 3152 L HA 0.358 4.699 4.340 0.002 0.000 0.266 3152 L C -2.590 174.150 176.870 -0.217 0.000 0.978 3152 L CA -2.518 52.244 54.840 -0.131 0.000 0.822 3152 L CB 2.768 44.558 42.059 -0.448 0.000 1.310 3152 L HN -0.041 nan 8.230 nan 0.000 0.409 3153 P HA 0.127 nan 4.420 nan 0.000 0.269 3153 P C -2.664 174.483 177.300 -0.254 0.000 1.215 3153 P CA -0.903 61.928 63.100 -0.449 0.000 0.780 3153 P CB -0.141 31.137 31.700 -0.705 0.000 0.898 3154 P HA 0.100 nan 4.420 nan 0.000 0.302 3154 P C -0.633 176.602 177.300 -0.109 0.000 1.301 3154 P CA -0.121 62.904 63.100 -0.126 0.000 0.745 3154 P CB 0.385 32.020 31.700 -0.108 0.000 1.331 3155 V N -0.936 118.940 119.914 -0.063 0.000 2.495 3155 V HA 0.486 4.607 4.120 0.002 0.000 0.298 3155 V C 0.479 176.550 176.094 -0.038 0.000 1.031 3155 V CA -1.245 61.025 62.300 -0.050 0.000 0.871 3155 V CB 0.703 32.514 31.823 -0.019 0.000 0.988 3155 V HN 0.715 nan 8.190 nan 0.000 0.432 3156 A N 2.577 125.374 122.820 -0.038 0.000 2.580 3156 A HA 0.036 4.357 4.320 0.002 0.000 0.244 3156 A C 1.070 178.651 177.584 -0.005 0.000 1.045 3156 A CA 0.043 52.067 52.037 -0.022 0.000 0.761 3156 A CB -0.200 18.796 19.000 -0.007 0.000 0.962 3156 A HN 0.907 nan 8.150 nan 0.000 0.512 3157 D N 1.410 121.811 120.400 0.001 0.000 2.351 3157 D HA -0.149 4.492 4.640 0.002 0.000 0.216 3157 D C 1.350 177.662 176.300 0.019 0.000 0.968 3157 D CA 1.524 55.532 54.000 0.013 0.000 0.899 3157 D CB 0.064 40.876 40.800 0.020 0.000 0.907 3157 D HN 0.831 nan 8.370 nan 0.000 0.514 3158 D N 0.022 120.434 120.400 0.021 0.000 2.333 3158 D HA -0.093 4.548 4.640 0.002 0.000 0.208 3158 D C 0.387 176.702 176.300 0.024 0.000 0.984 3158 D CA -0.152 53.865 54.000 0.030 0.000 0.873 3158 D CB -0.192 40.634 40.800 0.044 0.000 0.935 3158 D HN -0.012 nan 8.370 nan 0.000 0.521 3159 c N 2.490 121.098 118.600 0.014 0.000 2.665 3159 c HA 0.063 4.634 4.570 0.002 0.000 0.416 3159 c C -0.264 173.833 174.090 0.011 0.000 1.305 3159 c CA -0.958 55.376 56.329 0.008 0.000 1.903 3159 c CB 1.243 43.752 42.510 -0.001 0.000 2.704 3159 c HN 0.358 nan 8.230 nan 0.000 0.629 3160 P HA -0.029 nan 4.420 nan 0.000 0.214 3160 P C 0.433 177.740 177.300 0.011 0.000 1.162 3160 P CA 1.556 64.663 63.100 0.010 0.000 0.871 3160 P CB -0.165 31.540 31.700 0.008 0.000 0.783 3161 T N -3.987 110.573 114.554 0.011 0.000 2.888 3161 T HA 0.428 4.779 4.350 0.002 0.000 0.284 3161 T C -2.180 172.532 174.700 0.020 0.000 1.017 3161 T CA -2.361 59.748 62.100 0.015 0.000 1.022 3161 T CB 1.795 70.673 68.868 0.017 0.000 1.013 3161 T HN -0.264 nan 8.240 nan 0.000 0.465 3162 P HA -0.083 nan 4.420 nan 0.000 0.218 3162 P C 0.859 178.189 177.300 0.050 0.000 1.147 3162 P CA 1.224 64.347 63.100 0.037 0.000 0.827 3162 P CB 0.038 31.761 31.700 0.038 0.000 0.778 3163 M N -2.429 117.199 119.600 0.047 0.000 2.673 3163 M HA 0.339 4.820 4.480 0.002 0.000 0.334 3163 M C 1.270 177.581 176.300 0.019 0.000 1.211 3163 M CA 0.280 55.611 55.300 0.050 0.000 0.962 3163 M CB -0.080 32.563 32.600 0.071 0.000 1.343 3163 M HN 0.108 nan 8.290 nan 0.000 0.511 3164 G N 0.742 109.547 108.800 0.009 0.000 5.064 3164 G HA2 -0.305 3.656 3.960 0.002 0.000 0.277 3164 G HA3 -0.305 3.656 3.960 0.002 0.000 0.277 3164 G C 0.473 175.369 174.900 -0.007 0.000 1.580 3164 G CA 0.718 45.812 45.100 -0.010 0.000 1.109 3164 G HN 0.405 nan 8.290 nan 0.000 0.695 3165 V N -2.680 117.230 119.914 -0.007 0.000 3.165 3165 V HA 0.484 4.605 4.120 0.002 0.000 0.231 3165 V C 0.973 177.072 176.094 0.008 0.000 1.365 3165 V CA 1.016 63.314 62.300 -0.003 0.000 1.286 3165 V CB -0.209 31.605 31.823 -0.016 0.000 1.081 3165 V HN 0.412 nan 8.190 nan 0.000 0.477 3166 K N 2.201 122.608 120.400 0.012 0.000 2.412 3166 K HA 0.511 4.832 4.320 0.002 0.000 0.281 3166 K C 0.495 177.120 176.600 0.042 0.000 1.027 3166 K CA 1.193 57.496 56.287 0.027 0.000 0.989 3166 K CB 0.462 32.980 32.500 0.030 0.000 0.935 3166 K HN 0.856 nan 8.250 nan 0.000 0.475 3167 G N 2.221 111.049 108.800 0.047 0.000 2.422 3167 G HA2 -0.173 3.788 3.960 0.002 0.000 0.607 3167 G HA3 -0.173 3.788 3.960 0.002 0.000 0.607 3167 G C -1.068 173.849 174.900 0.029 0.000 1.270 3167 G CA -0.936 44.194 45.100 0.050 0.000 0.992 3167 G HN 0.594 nan 8.290 nan 0.000 0.499 3168 N N -0.471 118.239 118.700 0.017 0.000 2.530 3168 N HA 0.322 5.063 4.740 0.002 0.000 0.283 3168 N C 1.167 176.679 175.510 0.002 0.000 1.238 3168 N CA -0.464 52.589 53.050 0.005 0.000 0.971 3168 N CB 1.233 39.716 38.487 -0.007 0.000 1.195 3168 N HN 0.562 nan 8.380 nan 0.000 0.583 3169 K N 0.403 120.803 120.400 0.000 0.000 2.442 3169 K HA -0.125 4.196 4.320 0.002 0.000 0.200 3169 K C -0.024 176.575 176.600 -0.002 0.000 1.045 3169 K CA 1.403 57.691 56.287 0.001 0.000 0.937 3169 K CB 0.107 32.608 32.500 0.000 0.000 0.757 3169 K HN 0.485 nan 8.250 nan 0.000 0.474 3170 E N -1.756 118.437 120.200 -0.011 0.000 2.408 3170 E HA 0.387 4.738 4.350 0.002 0.000 0.266 3170 E C -1.403 175.171 176.600 -0.044 0.000 1.025 3170 E CA -0.818 55.571 56.400 -0.020 0.000 0.881 3170 E CB 1.341 31.027 29.700 -0.023 0.000 1.660 3170 E HN -0.200 nan 8.360 nan 0.000 0.458 3171 L N 1.973 123.158 121.223 -0.063 0.000 2.333 3171 L HA 0.538 4.879 4.340 0.002 0.000 0.269 3171 L C -2.194 174.573 176.870 -0.171 0.000 1.010 3171 L CA -1.979 52.781 54.840 -0.133 0.000 0.818 3171 L CB 1.289 43.294 42.059 -0.089 0.000 1.306 3171 L HN 0.485 nan 8.230 nan 0.000 0.430 3172 P HA -0.057 nan 4.420 nan 0.000 0.263 3172 P C -0.513 176.713 177.300 -0.122 0.000 1.175 3172 P CA 0.024 62.978 63.100 -0.242 0.000 0.761 3172 P CB 0.411 31.868 31.700 -0.406 0.000 0.794 3173 D N 1.949 122.308 120.400 -0.068 0.000 2.449 3173 D HA -0.064 4.577 4.640 0.002 0.000 0.236 3173 D C 0.993 177.287 176.300 -0.010 0.000 1.149 3173 D CA 0.288 54.269 54.000 -0.031 0.000 0.878 3173 D CB 0.910 41.697 40.800 -0.021 0.000 1.198 3173 D HN 0.327 nan 8.370 nan 0.000 0.446 3174 S N 3.883 119.589 115.700 0.009 0.000 2.371 3174 S HA -0.179 4.292 4.470 0.002 0.000 0.224 3174 S C 1.849 176.470 174.600 0.034 0.000 1.029 3174 S CA 0.767 58.989 58.200 0.037 0.000 0.978 3174 S CB -0.228 62.998 63.200 0.043 0.000 0.833 3174 S HN 0.668 nan 8.310 nan 0.000 0.466 3175 K N 1.473 121.884 120.400 0.018 0.000 2.052 3175 K HA -0.250 4.071 4.320 0.002 0.000 0.215 3175 K C 2.054 178.663 176.600 0.014 0.000 1.053 3175 K CA 2.005 58.299 56.287 0.012 0.000 0.934 3175 K CB -0.339 32.163 32.500 0.003 0.000 0.717 3175 K HN 0.510 nan 8.250 nan 0.000 0.450 3176 E N 0.173 120.381 120.200 0.012 0.000 1.983 3176 E HA -0.220 4.131 4.350 0.002 0.000 0.208 3176 E C 2.111 178.730 176.600 0.031 0.000 1.006 3176 E CA 1.747 58.155 56.400 0.014 0.000 0.872 3176 E CB -0.769 28.935 29.700 0.007 0.000 0.806 3176 E HN 0.175 nan 8.360 nan 0.000 0.510 3177 V N 2.561 122.509 119.914 0.057 0.000 2.251 3177 V HA -0.358 3.763 4.120 0.002 0.000 0.259 3177 V C 2.594 178.724 176.094 0.060 0.000 1.078 3177 V CA 2.430 64.787 62.300 0.094 0.000 1.072 3177 V CB -1.139 30.780 31.823 0.160 0.000 0.681 3177 V HN 0.339 nan 8.190 nan 0.000 0.454 3178 L N -0.326 120.930 121.223 0.055 0.000 1.976 3178 L HA -0.346 3.995 4.340 0.002 0.000 0.223 3178 L C 2.799 179.680 176.870 0.019 0.000 1.081 3178 L CA 2.791 57.655 54.840 0.041 0.000 0.784 3178 L CB -0.385 41.694 42.059 0.034 0.000 0.896 3178 L HN 0.533 nan 8.230 nan 0.000 0.438 3179 E N -0.525 119.682 120.200 0.012 0.000 2.001 3179 E HA -0.204 4.147 4.350 0.002 0.000 0.193 3179 E C 1.948 178.548 176.600 -0.000 0.000 0.994 3179 E CA 0.851 57.252 56.400 0.000 0.000 0.815 3179 E CB -0.194 29.504 29.700 -0.003 0.000 0.770 3179 E HN 0.301 nan 8.360 nan 0.000 0.453 3180 K N 0.583 120.987 120.400 0.006 0.000 2.385 3180 K HA -0.181 4.140 4.320 0.002 0.000 0.202 3180 K C 1.577 178.178 176.600 0.002 0.000 1.044 3180 K CA 1.706 57.996 56.287 0.005 0.000 0.933 3180 K CB -0.071 32.440 32.500 0.017 0.000 0.744 3180 K HN 0.317 nan 8.250 nan 0.000 0.479 3181 V N -5.673 114.243 119.914 0.003 0.000 4.200 3181 V HA 0.078 4.199 4.120 0.002 0.000 0.332 3181 V C 1.150 177.230 176.094 -0.023 0.000 1.744 3181 V CA -0.274 62.020 62.300 -0.011 0.000 1.469 3181 V CB -0.534 31.287 31.823 -0.003 0.000 1.024 3181 V HN -0.033 nan 8.190 nan 0.000 0.397 3182 L N 0.014 121.228 121.223 -0.014 0.000 2.488 3182 L HA 0.461 4.802 4.340 0.002 0.000 0.186 3182 L C 0.876 177.734 176.870 -0.018 0.000 1.124 3182 L CA 0.154 54.982 54.840 -0.020 0.000 0.838 3182 L CB -0.019 42.040 42.059 0.000 0.000 1.107 3182 L HN 0.159 nan 8.230 nan 0.000 0.494 3183 L N 2.007 123.223 121.223 -0.012 0.000 2.615 3183 L HA -0.100 4.241 4.340 0.002 0.000 0.284 3183 L C 0.895 177.747 176.870 -0.031 0.000 1.237 3183 L CA 0.480 55.308 54.840 -0.020 0.000 0.905 3183 L CB -0.149 41.896 42.059 -0.023 0.000 1.149 3183 L HN 0.210 nan 8.230 nan 0.000 0.499 3184 R N 4.172 124.651 120.500 -0.034 0.000 2.442 3184 R HA 0.109 4.450 4.340 0.002 0.000 0.291 3184 R C 0.643 176.924 176.300 -0.032 0.000 1.069 3184 R CA -0.354 55.720 56.100 -0.043 0.000 1.022 3184 R CB 0.605 30.878 30.300 -0.044 0.000 0.976 3184 R HN 0.651 nan 8.270 nan 0.000 0.443 3185 R N 3.377 123.858 120.500 -0.030 0.000 2.015 3185 R HA 0.106 4.447 4.340 0.002 0.000 0.212 3185 R C 0.121 176.419 176.300 -0.003 0.000 1.304 3185 R CA 0.438 56.526 56.100 -0.021 0.000 1.040 3185 R CB -0.328 29.958 30.300 -0.024 0.000 0.915 3185 R HN 0.610 nan 8.270 nan 0.000 0.465 3186 E N 1.437 121.636 120.200 -0.001 0.000 2.146 3186 E HA 0.133 4.484 4.350 0.002 0.000 0.282 3186 E C -1.181 175.454 176.600 0.059 0.000 0.989 3186 E CA -0.716 55.703 56.400 0.032 0.000 0.799 3186 E CB 0.843 30.553 29.700 0.017 0.000 1.088 3186 E HN -0.010 nan 8.360 nan 0.000 0.397 3187 F N 5.089 125.008 119.950 -0.052 0.000 2.612 3187 F HA 0.025 4.553 4.527 0.002 0.000 0.389 3187 F C -0.604 175.164 175.800 -0.054 0.000 1.055 3187 F CA 0.261 58.230 58.000 -0.053 0.000 1.232 3187 F CB 0.173 39.141 39.000 -0.055 0.000 1.044 3187 F HN 0.323 nan 8.300 nan 0.000 0.560 3188 I N 9.169 129.345 120.570 -0.657 0.000 2.321 3188 I HA 0.307 4.478 4.170 0.002 0.000 0.291 3188 I C -2.110 173.527 176.117 -0.800 0.000 0.998 3188 I CA -2.106 58.904 61.300 -0.483 0.000 1.227 3188 I CB 1.227 39.026 38.000 -0.334 0.000 1.368 3188 I HN 0.469 nan 8.210 nan 0.000 0.466 3189 P HA 0.104 nan 4.420 nan 0.000 0.282 3189 P C -1.029 176.164 177.300 -0.179 0.000 1.249 3189 P CA -0.357 62.691 63.100 -0.086 0.000 0.806 3189 P CB 1.024 32.863 31.700 0.231 0.000 0.984 3190 D N 3.658 123.951 120.400 -0.179 0.000 2.371 3190 D HA 0.058 4.699 4.640 0.002 0.000 0.256 3190 D C -1.201 174.998 176.300 -0.169 0.000 1.193 3190 D CA -1.771 52.087 54.000 -0.237 0.000 0.881 3190 D CB 0.433 41.051 40.800 -0.303 0.000 1.143 3190 D HN 0.147 nan 8.370 nan 0.000 0.473 3191 P HA -0.211 nan 4.420 nan 0.000 0.219 3191 P C 0.759 177.979 177.300 -0.133 0.000 1.146 3191 P CA 1.201 64.225 63.100 -0.128 0.000 0.808 3191 P CB 0.120 31.742 31.700 -0.130 0.000 0.779 3192 Q N -1.138 118.542 119.800 -0.200 0.000 2.500 3192 Q HA 0.057 4.398 4.340 0.002 0.000 0.213 3192 Q C 1.439 177.385 176.000 -0.090 0.000 0.974 3192 Q CA 1.010 56.682 55.803 -0.218 0.000 0.918 3192 Q CB -0.479 28.012 28.738 -0.410 0.000 0.980 3192 Q HN 0.339 nan 8.270 nan 0.000 0.505 3193 G N 1.056 109.824 108.800 -0.055 0.000 2.157 3193 G HA2 -0.257 3.704 3.960 0.002 0.000 0.248 3193 G HA3 -0.257 3.704 3.960 0.002 0.000 0.248 3193 G C 0.036 174.962 174.900 0.042 0.000 0.979 3193 G CA 0.227 45.340 45.100 0.022 0.000 0.650 3193 G HN 0.286 nan 8.290 nan 0.000 0.529 3194 S N 1.708 117.391 115.700 -0.028 0.000 2.752 3194 S HA 0.262 4.733 4.470 0.002 0.000 0.329 3194 S C 1.076 175.656 174.600 -0.033 0.000 1.204 3194 S CA 0.548 58.656 58.200 -0.153 0.000 1.252 3194 S CB -0.091 62.847 63.200 -0.436 0.000 1.053 3194 S HN 0.918 nan 8.310 nan 0.000 0.533 3195 N N 3.189 121.925 118.700 0.059 0.000 2.328 3195 N HA 0.196 4.937 4.740 0.002 0.000 0.277 3195 N C 1.009 176.629 175.510 0.183 0.000 1.286 3195 N CA -0.565 52.570 53.050 0.141 0.000 0.949 3195 N CB 0.076 38.672 38.487 0.182 0.000 1.136 3195 N HN 0.209 nan 8.380 nan 0.000 0.550 3196 M N -1.023 118.686 119.600 0.182 0.000 2.254 3196 M HA 0.025 4.506 4.480 0.002 0.000 0.265 3196 M C 1.448 177.836 176.300 0.147 0.000 1.066 3196 M CA 1.081 56.409 55.300 0.046 0.000 1.123 3196 M CB -1.025 31.557 32.600 -0.030 0.000 1.388 3196 M HN 0.538 nan 8.290 nan 0.000 0.425 3197 M N -0.121 119.684 119.600 0.341 0.000 2.399 3197 M HA -0.243 4.238 4.480 0.002 0.000 0.263 3197 M C 2.254 178.975 176.300 0.703 0.000 1.067 3197 M CA 1.806 57.415 55.300 0.515 0.000 1.084 3197 M CB -1.742 31.126 32.600 0.448 0.000 1.252 3197 M HN 0.264 nan 8.290 nan 0.000 0.454 3198 F N 0.618 120.889 119.950 0.535 0.000 2.048 3198 F HA -0.367 4.161 4.527 0.002 0.000 0.296 3198 F C 2.188 178.090 175.800 0.170 0.000 1.109 3198 F CA 2.801 60.876 58.000 0.124 0.000 1.214 3198 F CB -0.682 38.212 39.000 -0.178 0.000 0.963 3198 F HN 0.241 nan 8.300 nan 0.000 0.491 3199 A N 0.586 123.718 122.820 0.520 0.000 1.863 3199 A HA -0.290 4.031 4.320 0.002 0.000 0.218 3199 A C 2.063 179.767 177.584 0.199 0.000 1.233 3199 A CA 2.262 54.483 52.037 0.307 0.000 0.655 3199 A CB -1.757 17.259 19.000 0.027 0.000 0.839 3199 A HN 0.485 nan 8.150 nan 0.000 0.454 3200 F N -1.313 118.799 119.950 0.270 0.000 2.192 3200 F HA -0.128 4.400 4.527 0.002 0.000 0.301 3200 F C 1.930 177.979 175.800 0.414 0.000 1.079 3200 F CA 0.963 59.132 58.000 0.281 0.000 1.303 3200 F CB -0.940 38.163 39.000 0.171 0.000 1.024 3200 F HN 0.363 nan 8.300 nan 0.000 0.494 3201 F N 0.313 120.558 119.950 0.492 0.000 1.983 3201 F HA -0.098 4.430 4.527 0.002 0.000 0.295 3201 F C 2.538 178.387 175.800 0.082 0.000 1.197 3201 F CA 1.700 59.673 58.000 -0.045 0.000 1.165 3201 F CB -0.945 38.042 39.000 -0.020 0.000 0.970 3201 F HN -0.096 nan 8.300 nan 0.000 0.488 3202 A N 0.117 123.282 122.820 0.576 0.000 1.935 3202 A HA -0.472 3.849 4.320 0.002 0.000 0.224 3202 A C 2.053 179.828 177.584 0.318 0.000 1.324 3202 A CA 2.880 55.266 52.037 0.581 0.000 0.686 3202 A CB -1.659 17.544 19.000 0.337 0.000 0.837 3202 A HN 0.754 nan 8.150 nan 0.000 0.481 3203 Q N -1.440 118.515 119.800 0.258 0.000 1.975 3203 Q HA -0.270 4.071 4.340 0.002 0.000 0.205 3203 Q C 2.161 178.098 176.000 -0.106 0.000 0.990 3203 Q CA 2.299 58.178 55.803 0.126 0.000 0.845 3203 Q CB -0.546 28.288 28.738 0.160 0.000 0.913 3203 Q HN 0.837 nan 8.270 nan 0.000 0.420 3204 H N -0.553 118.387 119.070 -0.216 0.000 2.265 3204 H HA -0.196 4.361 4.556 0.002 0.000 0.295 3204 H C 1.941 177.073 175.328 -0.327 0.000 1.084 3204 H CA 2.045 57.859 56.048 -0.390 0.000 1.261 3204 H CB -0.643 28.905 29.762 -0.356 0.000 1.360 3204 H HN 0.463 nan 8.280 nan 0.000 0.487 3205 F N 2.312 122.033 119.950 -0.382 0.000 2.011 3205 F HA -0.269 4.259 4.527 0.002 0.000 0.296 3205 F C 2.930 178.323 175.800 -0.678 0.000 1.144 3205 F CA 3.178 60.872 58.000 -0.510 0.000 1.185 3205 F CB -1.244 37.533 39.000 -0.372 0.000 0.961 3205 F HN 0.315 nan 8.300 nan 0.000 0.485 3206 T N -2.460 111.615 114.554 -0.798 0.000 2.896 3206 T HA -0.301 4.050 4.350 0.002 0.000 0.270 3206 T C 1.547 175.414 174.700 -1.388 0.000 1.104 3206 T CA 1.913 63.102 62.100 -1.518 0.000 1.115 3206 T CB -1.134 67.466 68.868 -0.447 0.000 0.843 3206 T HN 0.493 nan 8.240 nan 0.000 0.523 3207 H N 1.755 120.283 119.070 -0.904 0.000 2.563 3207 H HA 0.121 4.678 4.556 0.002 0.000 0.272 3207 H C 2.330 177.292 175.328 -0.610 0.000 1.005 3207 H CA 0.862 56.580 56.048 -0.550 0.000 1.171 3207 H CB -0.077 29.653 29.762 -0.055 0.000 1.351 3207 H HN 0.787 nan 8.280 nan 0.000 0.602 3208 Q N -0.878 118.425 119.800 -0.829 0.000 2.159 3208 Q HA -0.035 4.306 4.340 0.002 0.000 0.194 3208 Q C 1.421 177.162 176.000 -0.431 0.000 0.968 3208 Q CA 0.779 56.312 55.803 -0.450 0.000 0.837 3208 Q CB -0.504 28.168 28.738 -0.111 0.000 0.920 3208 Q HN 0.360 nan 8.270 nan 0.000 0.485 3209 F N 1.712 121.331 119.950 -0.552 0.000 2.031 3209 F HA 0.037 4.565 4.527 0.002 0.000 0.295 3209 F C 0.854 176.362 175.800 -0.487 0.000 1.133 3209 F CA -0.269 57.375 58.000 -0.593 0.000 1.188 3209 F CB -1.444 37.067 39.000 -0.815 0.000 0.974 3209 F HN -0.146 nan 8.300 nan 0.000 0.473 3210 F N 1.573 121.359 119.950 -0.275 0.000 2.504 3210 F HA 0.409 4.937 4.527 0.002 0.000 0.369 3210 F C 0.731 176.336 175.800 -0.325 0.000 1.082 3210 F CA -0.638 57.239 58.000 -0.205 0.000 1.216 3210 F CB 0.159 38.894 39.000 -0.441 0.000 1.108 3210 F HN 0.041 nan 8.300 nan 0.000 0.554 3211 K N 0.676 121.082 120.400 0.009 0.000 3.118 3211 K HA 0.050 4.371 4.320 0.002 0.000 0.157 3211 K C -0.576 175.981 176.600 -0.070 0.000 1.043 3211 K CA -0.180 56.031 56.287 -0.126 0.000 1.073 3211 K CB 0.545 32.932 32.500 -0.188 0.000 0.685 3211 K HN 0.643 nan 8.250 nan 0.000 0.390 3212 T N 1.928 116.509 114.554 0.045 0.000 2.657 3212 T HA -0.182 4.169 4.350 0.002 0.000 0.245 3212 T C -0.027 174.527 174.700 -0.243 0.000 1.021 3212 T CA 0.813 62.892 62.100 -0.035 0.000 1.155 3212 T CB 0.046 68.832 68.868 -0.136 0.000 1.022 3212 T HN 0.185 nan 8.240 nan 0.000 0.477 3213 D N 1.433 121.744 120.400 -0.148 0.000 2.428 3213 D HA 0.194 4.835 4.640 0.002 0.000 0.221 3213 D C 0.831 177.086 176.300 -0.075 0.000 1.123 3213 D CA -0.526 53.423 54.000 -0.084 0.000 0.869 3213 D CB 0.426 41.207 40.800 -0.031 0.000 1.032 3213 D HN 0.594 nan 8.370 nan 0.000 0.506 3214 H N 2.463 121.576 119.070 0.072 0.000 2.423 3214 H HA -0.038 4.519 4.556 0.002 0.000 0.297 3214 H C 1.700 177.072 175.328 0.074 0.000 1.075 3214 H CA 1.081 57.174 56.048 0.075 0.000 1.342 3214 H CB 0.410 30.199 29.762 0.046 0.000 1.395 3214 H HN 0.345 nan 8.280 nan 0.000 0.530 3215 K N 0.804 121.293 120.400 0.149 0.000 2.113 3215 K HA -0.180 4.141 4.320 0.002 0.000 0.208 3215 K C 1.968 178.617 176.600 0.081 0.000 1.047 3215 K CA 1.260 57.599 56.287 0.088 0.000 0.928 3215 K CB -0.121 32.403 32.500 0.040 0.000 0.716 3215 K HN 0.381 nan 8.250 nan 0.000 0.446 3216 R N 0.236 120.790 120.500 0.090 0.000 2.052 3216 R HA 0.039 4.380 4.340 0.002 0.000 0.224 3216 R C 1.092 177.628 176.300 0.394 0.000 1.149 3216 R CA 1.019 57.182 56.100 0.106 0.000 0.962 3216 R CB 0.303 30.547 30.300 -0.093 0.000 0.856 3216 R HN 0.335 nan 8.270 nan 0.000 0.433 3217 G N -1.793 107.253 108.800 0.410 0.000 2.320 3217 G HA2 0.048 4.009 3.960 0.002 0.000 0.297 3217 G HA3 0.048 4.009 3.960 0.002 0.000 0.297 3217 G C -2.665 172.241 174.900 0.010 0.000 1.344 3217 G CA -0.945 44.282 45.100 0.212 0.000 0.851 3217 G HN -0.183 nan 8.290 nan 0.000 0.567 3218 P HA 0.091 nan 4.420 nan 0.000 0.220 3218 P C 1.846 179.067 177.300 -0.132 0.000 1.152 3218 P CA 1.640 64.688 63.100 -0.086 0.000 0.812 3218 P CB 0.143 31.817 31.700 -0.044 0.000 0.792 3219 G N -1.521 107.064 108.800 -0.358 0.000 2.572 3219 G HA2 -0.033 3.928 3.960 0.002 0.000 0.216 3219 G HA3 -0.033 3.928 3.960 0.002 0.000 0.216 3219 G C 0.141 174.930 174.900 -0.187 0.000 1.133 3219 G CA -0.062 44.824 45.100 -0.356 0.000 0.791 3219 G HN 0.198 nan 8.290 nan 0.000 0.538 3220 F N 0.706 120.686 119.950 0.049 0.000 2.404 3220 F HA 0.491 5.019 4.527 0.002 0.000 0.339 3220 F C 0.802 176.442 175.800 -0.266 0.000 1.105 3220 F CA -0.926 56.995 58.000 -0.131 0.000 1.087 3220 F CB 1.782 40.663 39.000 -0.199 0.000 1.143 3220 F HN -0.150 nan 8.300 nan 0.000 0.491 3221 T N 1.367 115.640 114.554 -0.469 0.000 2.944 3221 T HA 0.389 4.740 4.350 0.002 0.000 0.284 3221 T C 0.706 175.248 174.700 -0.263 0.000 1.010 3221 T CA -0.598 61.109 62.100 -0.654 0.000 1.025 3221 T CB 1.587 69.698 68.868 -1.261 0.000 1.079 3221 T HN 0.785 nan 8.240 nan 0.000 0.516 3222 R N 0.711 121.086 120.500 -0.208 0.000 2.373 3222 R HA 0.264 4.605 4.340 0.002 0.000 0.221 3222 R C 1.172 177.398 176.300 -0.123 0.000 0.893 3222 R CA -0.029 55.993 56.100 -0.131 0.000 1.049 3222 R CB 0.427 30.661 30.300 -0.110 0.000 1.119 3222 R HN 0.757 nan 8.270 nan 0.000 0.535 3223 G N 1.093 109.794 108.800 -0.164 0.000 2.770 3223 G HA2 0.199 4.160 3.960 0.002 0.000 0.307 3223 G HA3 0.199 4.160 3.960 0.002 0.000 0.307 3223 G C 0.610 175.495 174.900 -0.026 0.000 0.863 3223 G CA -0.357 44.668 45.100 -0.125 0.000 1.595 3223 G HN 0.124 nan 8.290 nan 0.000 0.496 3224 L N 2.071 123.314 121.223 0.034 0.000 2.362 3224 L HA 0.016 4.357 4.340 0.002 0.000 0.219 3224 L C 2.836 179.784 176.870 0.130 0.000 1.134 3224 L CA 0.865 55.783 54.840 0.132 0.000 0.807 3224 L CB 0.026 42.073 42.059 -0.020 0.000 0.927 3224 L HN 0.516 nan 8.230 nan 0.000 0.447 3225 G N -1.700 107.134 108.800 0.056 0.000 2.479 3225 G HA2 -0.241 3.720 3.960 0.002 0.000 0.220 3225 G HA3 -0.241 3.720 3.960 0.002 0.000 0.220 3225 G C 0.616 175.563 174.900 0.078 0.000 1.115 3225 G CA 0.170 45.284 45.100 0.023 0.000 0.757 3225 G HN 0.640 nan 8.290 nan 0.000 0.560 3226 H N -0.124 118.876 119.070 -0.117 0.000 2.484 3226 H HA -0.162 4.395 4.556 0.002 0.000 0.321 3226 H C 1.143 176.379 175.328 -0.153 0.000 1.065 3226 H CA 0.599 56.569 56.048 -0.131 0.000 1.118 3226 H CB -1.276 28.402 29.762 -0.139 0.000 1.511 3226 H HN 0.797 nan 8.280 nan 0.000 0.403 3227 G N -1.560 107.196 108.800 -0.074 0.000 2.341 3227 G HA2 0.155 4.116 3.960 0.002 0.000 0.293 3227 G HA3 0.155 4.116 3.960 0.002 0.000 0.293 3227 G C -0.630 174.225 174.900 -0.074 0.000 1.298 3227 G CA -0.480 44.519 45.100 -0.168 0.000 0.868 3227 G HN 0.240 nan 8.290 nan 0.000 0.540 3228 V N 1.657 121.509 119.914 -0.104 0.000 2.415 3228 V HA 0.255 4.376 4.120 0.002 0.000 0.252 3228 V C 0.673 176.791 176.094 0.041 0.000 1.043 3228 V CA 1.321 63.644 62.300 0.038 0.000 1.149 3228 V CB -0.111 31.761 31.823 0.082 0.000 1.143 3228 V HN 0.843 nan 8.190 nan 0.000 0.478 3229 D N 3.277 123.700 120.400 0.038 0.000 2.540 3229 D HA 0.100 4.741 4.640 0.002 0.000 0.229 3229 D C 0.702 176.998 176.300 -0.007 0.000 1.250 3229 D CA -0.544 53.465 54.000 0.015 0.000 0.817 3229 D CB -0.232 40.568 40.800 -0.001 0.000 1.060 3229 D HN 0.374 nan 8.370 nan 0.000 0.508 3230 L N 0.818 121.995 121.223 -0.077 0.000 3.781 3230 L HA -0.358 3.983 4.340 0.002 0.000 0.426 3230 L C 1.014 177.655 176.870 -0.382 0.000 1.197 3230 L CA 0.673 55.252 54.840 -0.434 0.000 0.907 3230 L CB -2.251 39.631 42.059 -0.295 0.000 1.812 3230 L HN 0.298 nan 8.230 nan 0.000 0.956 3231 N N 0.434 119.017 118.700 -0.194 0.000 2.453 3231 N HA -0.183 4.558 4.740 0.002 0.000 0.183 3231 N C 1.494 176.860 175.510 -0.240 0.000 1.041 3231 N CA 1.660 54.634 53.050 -0.127 0.000 0.900 3231 N CB -0.260 38.179 38.487 -0.081 0.000 0.961 3231 N HN 0.765 nan 8.380 nan 0.000 0.443 3232 H N -1.751 117.139 119.070 -0.300 0.000 2.524 3232 H HA 0.211 4.768 4.556 0.002 0.000 0.282 3232 H C 1.444 176.529 175.328 -0.406 0.000 1.016 3232 H CA 1.008 56.773 56.048 -0.472 0.000 1.270 3232 H CB -0.135 29.254 29.762 -0.622 0.000 1.394 3232 H HN 0.308 nan 8.280 nan 0.000 0.568 3233 I N -0.732 119.410 120.570 -0.713 0.000 2.927 3233 I HA -0.041 4.130 4.170 0.002 0.000 0.268 3233 I C 0.674 176.398 176.117 -0.655 0.000 1.153 3233 I CA 0.341 61.219 61.300 -0.703 0.000 1.459 3233 I CB 0.240 37.568 38.000 -1.120 0.000 1.149 3233 I HN 0.167 nan 8.210 nan 0.000 0.443 3234 Y N 1.054 121.215 120.300 -0.231 0.000 2.584 3234 Y HA 0.563 5.114 4.550 0.002 0.000 0.254 3234 Y C 1.109 176.933 175.900 -0.126 0.000 1.177 3234 Y CA -0.348 57.671 58.100 -0.135 0.000 1.216 3234 Y CB -0.010 38.409 38.460 -0.068 0.000 1.172 3234 Y HN 0.086 nan 8.280 nan 0.000 0.529 3235 G N 0.787 109.557 108.800 -0.050 0.000 2.787 3235 G HA2 -0.221 3.740 3.960 0.002 0.000 0.685 3235 G HA3 -0.221 3.740 3.960 0.002 0.000 0.685 3235 G C 0.403 175.266 174.900 -0.061 0.000 1.437 3235 G CA -0.127 44.928 45.100 -0.076 0.000 0.872 3235 G HN 0.229 nan 8.290 nan 0.000 0.566 3236 E N -0.458 119.693 120.200 -0.081 0.000 2.075 3236 E HA 0.015 4.366 4.350 0.002 0.000 0.190 3236 E C 1.991 178.551 176.600 -0.066 0.000 0.969 3236 E CA 1.490 57.847 56.400 -0.072 0.000 0.815 3236 E CB -0.100 29.551 29.700 -0.081 0.000 0.776 3236 E HN 0.922 nan 8.360 nan 0.000 0.457 3237 T N -1.266 113.244 114.554 -0.072 0.000 2.904 3237 T HA 0.212 4.563 4.350 0.002 0.000 0.290 3237 T C 1.508 176.145 174.700 -0.106 0.000 1.018 3237 T CA -0.485 61.571 62.100 -0.075 0.000 1.075 3237 T CB 1.358 70.189 68.868 -0.062 0.000 0.986 3237 T HN -0.041 nan 8.240 nan 0.000 0.523 3238 L N 0.593 121.737 121.223 -0.131 0.000 2.017 3238 L HA -0.108 4.233 4.340 0.002 0.000 0.208 3238 L C 2.817 179.527 176.870 -0.266 0.000 1.073 3238 L CA 1.722 56.401 54.840 -0.268 0.000 0.745 3238 L CB -0.484 41.452 42.059 -0.205 0.000 0.894 3238 L HN 0.871 nan 8.230 nan 0.000 0.432 3239 D N -0.143 120.207 120.400 -0.082 0.000 2.160 3239 D HA -0.303 4.338 4.640 0.002 0.000 0.189 3239 D C 2.187 178.480 176.300 -0.012 0.000 1.003 3239 D CA 1.932 55.936 54.000 0.006 0.000 0.846 3239 D CB 0.026 40.829 40.800 0.004 0.000 0.949 3239 D HN 0.223 nan 8.370 nan 0.000 0.446 3240 R N 0.509 120.978 120.500 -0.051 0.000 2.088 3240 R HA -0.249 4.092 4.340 0.002 0.000 0.232 3240 R C 2.582 178.845 176.300 -0.061 0.000 1.136 3240 R CA 2.475 58.545 56.100 -0.050 0.000 0.926 3240 R CB -0.518 29.743 30.300 -0.064 0.000 0.837 3240 R HN 0.193 nan 8.270 nan 0.000 0.429 3241 Q N -0.443 119.293 119.800 -0.107 0.000 2.118 3241 Q HA -0.289 4.052 4.340 0.002 0.000 0.211 3241 Q C 1.813 177.717 176.000 -0.160 0.000 0.998 3241 Q CA 2.345 58.075 55.803 -0.121 0.000 0.872 3241 Q CB -0.571 28.043 28.738 -0.206 0.000 0.925 3241 Q HN 0.572 nan 8.270 nan 0.000 0.414 3242 H N 0.298 119.315 119.070 -0.088 0.000 2.421 3242 H HA -0.012 4.545 4.556 0.002 0.000 0.298 3242 H C 1.742 176.997 175.328 -0.122 0.000 1.087 3242 H CA 1.704 57.699 56.048 -0.089 0.000 1.330 3242 H CB 0.051 29.914 29.762 0.169 0.000 1.388 3242 H HN 0.478 nan 8.280 nan 0.000 0.526 3243 K N 0.314 120.750 120.400 0.061 0.000 2.217 3243 K HA 0.017 4.338 4.320 0.002 0.000 0.202 3243 K C 1.881 178.454 176.600 -0.045 0.000 1.051 3243 K CA 0.575 56.875 56.287 0.022 0.000 0.952 3243 K CB 0.162 32.675 32.500 0.021 0.000 0.736 3243 K HN 0.177 nan 8.250 nan 0.000 0.453 3244 L N 0.469 121.654 121.223 -0.065 0.000 2.591 3244 L HA 0.072 4.413 4.340 0.002 0.000 0.228 3244 L C 0.711 177.516 176.870 -0.110 0.000 1.133 3244 L CA 0.042 54.843 54.840 -0.065 0.000 0.880 3244 L CB -0.095 41.945 42.059 -0.032 0.000 1.033 3244 L HN 0.033 nan 8.230 nan 0.000 0.450 3245 R N 0.183 120.531 120.500 -0.253 0.000 2.486 3245 R HA 0.228 4.569 4.340 0.002 0.000 0.286 3245 R C 0.648 176.649 176.300 -0.499 0.000 0.999 3245 R CA -0.404 55.414 56.100 -0.469 0.000 0.993 3245 R CB 1.828 31.513 30.300 -1.024 0.000 1.084 3245 R HN -0.060 nan 8.270 nan 0.000 0.487 3246 L N 2.489 123.506 121.223 -0.343 0.000 2.463 3246 L HA 0.281 4.622 4.340 0.002 0.000 0.219 3246 L C -0.207 176.644 176.870 -0.032 0.000 1.088 3246 L CA 0.826 55.561 54.840 -0.175 0.000 0.849 3246 L CB 0.131 42.104 42.059 -0.143 0.000 1.012 3246 L HN 0.780 nan 8.230 nan 0.000 0.468 3247 F N 0.629 120.582 119.950 0.005 0.000 2.905 3247 F HA -0.267 4.261 4.527 0.002 0.000 0.311 3247 F C 0.174 175.979 175.800 0.009 0.000 1.005 3247 F CA 0.685 58.678 58.000 -0.012 0.000 1.029 3247 F CB -1.529 37.435 39.000 -0.060 0.000 1.151 3247 F HN 0.233 nan 8.300 nan 0.000 0.805 3248 K N 0.376 120.883 120.400 0.179 0.000 2.582 3248 K HA 0.304 4.625 4.320 0.002 0.000 0.259 3248 K C -0.318 176.366 176.600 0.139 0.000 0.973 3248 K CA -0.706 55.660 56.287 0.132 0.000 0.880 3248 K CB 1.265 33.813 32.500 0.080 0.000 1.310 3248 K HN 0.176 nan 8.250 nan 0.000 0.443 3249 D N 1.758 122.251 120.400 0.155 0.000 2.955 3249 D HA -0.212 4.429 4.640 0.002 0.000 0.226 3249 D C 0.642 177.073 176.300 0.217 0.000 1.178 3249 D CA 1.590 55.692 54.000 0.170 0.000 0.808 3249 D CB -1.190 39.691 40.800 0.134 0.000 1.099 3249 D HN 1.010 nan 8.370 nan 0.000 0.421 3250 G N -0.521 108.436 108.800 0.261 0.000 2.258 3250 G HA2 -0.429 3.532 3.960 0.002 0.000 0.274 3250 G HA3 -0.429 3.532 3.960 0.002 0.000 0.274 3250 G C 0.194 175.371 174.900 0.462 0.000 1.021 3250 G CA 0.835 46.167 45.100 0.387 0.000 0.798 3250 G HN 0.520 nan 8.290 nan 0.000 0.507 3251 K N -0.913 119.671 120.400 0.305 0.000 2.144 3251 K HA 0.620 4.941 4.320 0.002 0.000 0.270 3251 K C 0.705 177.417 176.600 0.186 0.000 1.005 3251 K CA -0.786 55.684 56.287 0.304 0.000 0.932 3251 K CB 1.054 33.648 32.500 0.157 0.000 1.021 3251 K HN 0.154 nan 8.250 nan 0.000 0.462 3252 L N 3.116 124.437 121.223 0.163 0.000 2.349 3252 L HA 0.146 4.487 4.340 0.002 0.000 0.275 3252 L C 0.346 177.193 176.870 -0.038 0.000 1.115 3252 L CA -0.155 54.693 54.840 0.014 0.000 0.820 3252 L CB 0.649 42.669 42.059 -0.065 0.000 1.135 3252 L HN 0.390 nan 8.230 nan 0.000 0.445 3253 K N 3.390 123.732 120.400 -0.096 0.000 2.511 3253 K HA 0.029 4.350 4.320 0.002 0.000 0.280 3253 K C -0.780 175.801 176.600 -0.031 0.000 1.008 3253 K CA 0.483 56.689 56.287 -0.136 0.000 1.050 3253 K CB 0.372 32.814 32.500 -0.096 0.000 0.889 3253 K HN 0.394 nan 8.250 nan 0.000 0.484 3254 Y N -0.599 119.694 120.300 -0.012 0.000 2.944 3254 Y HA 0.477 5.028 4.550 0.002 0.000 0.312 3254 Y C -0.979 174.902 175.900 -0.031 0.000 1.417 3254 Y CA -1.596 56.486 58.100 -0.028 0.000 1.105 3254 Y CB 0.723 39.179 38.460 -0.008 0.000 1.364 3254 Y HN 0.606 nan 8.280 nan 0.000 0.540 3255 Q N 0.105 120.140 119.800 0.391 0.000 2.438 3255 Q HA 0.661 5.002 4.340 0.002 0.000 0.272 3255 Q C -2.554 173.485 176.000 0.066 0.000 0.994 3255 Q CA -1.011 54.922 55.803 0.216 0.000 0.887 3255 Q CB 2.285 31.069 28.738 0.077 0.000 1.432 3255 Q HN 0.597 nan 8.270 nan 0.000 0.392 3256 V N 4.208 124.161 119.914 0.064 0.000 2.347 3256 V HA 0.492 4.613 4.120 0.002 0.000 0.280 3256 V C -0.379 175.774 176.094 0.098 0.000 1.021 3256 V CA -0.401 61.915 62.300 0.027 0.000 0.847 3256 V CB 1.072 32.884 31.823 -0.018 0.000 0.990 3256 V HN 0.680 nan 8.190 nan 0.000 0.444 3257 I N 3.662 124.342 120.570 0.183 0.000 2.406 3257 I HA 0.492 4.664 4.170 0.002 0.000 0.290 3257 I C 1.152 177.370 176.117 0.167 0.000 0.999 3257 I CA -0.645 60.755 61.300 0.166 0.000 1.124 3257 I CB 1.569 39.655 38.000 0.144 0.000 1.289 3257 I HN 0.787 nan 8.210 nan 0.000 0.441 3258 G N 4.375 113.235 108.800 0.101 0.000 2.395 3258 G HA2 -0.158 3.803 3.960 0.002 0.000 0.300 3258 G HA3 -0.158 3.803 3.960 0.002 0.000 0.300 3258 G C 1.010 175.955 174.900 0.075 0.000 0.998 3258 G CA 0.695 45.846 45.100 0.084 0.000 1.046 3258 G HN 1.592 nan 8.290 nan 0.000 0.513 3259 G N -1.724 107.107 108.800 0.052 0.000 2.168 3259 G HA2 -0.225 3.736 3.960 0.002 0.000 0.257 3259 G HA3 -0.225 3.736 3.960 0.002 0.000 0.257 3259 G C 0.079 174.973 174.900 -0.009 0.000 0.997 3259 G CA 0.999 46.110 45.100 0.018 0.000 0.708 3259 G HN 0.928 nan 8.290 nan 0.000 0.520 3260 E N -0.725 119.484 120.200 0.015 0.000 2.256 3260 E HA 0.535 4.886 4.350 0.002 0.000 0.267 3260 E C 0.033 176.511 176.600 -0.204 0.000 0.892 3260 E CA -0.830 55.510 56.400 -0.100 0.000 0.775 3260 E CB 2.245 31.912 29.700 -0.056 0.000 1.207 3260 E HN 0.097 nan 8.360 nan 0.000 0.420 3261 V N 3.532 123.208 119.914 -0.397 0.000 2.455 3261 V HA 0.199 4.320 4.120 0.002 0.000 0.273 3261 V C -0.668 175.106 176.094 -0.534 0.000 1.045 3261 V CA 0.148 62.188 62.300 -0.433 0.000 0.976 3261 V CB -0.518 31.057 31.823 -0.412 0.000 0.993 3261 V HN 0.506 nan 8.190 nan 0.000 0.475 3262 Y N 4.684 124.895 120.300 -0.149 0.000 2.581 3262 Y HA 0.470 5.021 4.550 0.002 0.000 0.345 3262 Y C -2.249 173.506 175.900 -0.242 0.000 1.036 3262 Y CA -2.587 55.421 58.100 -0.153 0.000 1.042 3262 Y CB 2.480 40.860 38.460 -0.134 0.000 1.289 3262 Y HN 0.430 nan 8.280 nan 0.000 0.471 3263 P HA -0.017 nan 4.420 nan 0.000 0.270 3263 P C -2.614 174.449 177.300 -0.396 0.000 1.221 3263 P CA -0.561 62.410 63.100 -0.216 0.000 0.788 3263 P CB -0.025 31.569 31.700 -0.178 0.000 0.904 3264 P HA 0.153 nan 4.420 nan 0.000 0.283 3264 P C -0.563 176.662 177.300 -0.125 0.000 1.278 3264 P CA -0.390 62.622 63.100 -0.146 0.000 0.834 3264 P CB 0.345 32.024 31.700 -0.036 0.000 1.150 3265 T N -1.759 112.776 114.554 -0.031 0.000 2.868 3265 T HA 0.115 4.466 4.350 0.002 0.000 0.292 3265 T C 1.265 176.010 174.700 0.075 0.000 1.028 3265 T CA -0.308 61.834 62.100 0.071 0.000 1.059 3265 T CB -0.165 68.758 68.868 0.091 0.000 0.991 3265 T HN 0.053 nan 8.240 nan 0.000 0.531 3266 V N 2.867 122.853 119.914 0.120 0.000 2.667 3266 V HA -0.007 4.114 4.120 0.002 0.000 0.252 3266 V C 2.696 178.825 176.094 0.059 0.000 1.065 3266 V CA 1.805 64.154 62.300 0.082 0.000 1.083 3266 V CB -0.783 31.103 31.823 0.105 0.000 0.692 3266 V HN 0.976 nan 8.190 nan 0.000 0.468 3267 K N -0.030 120.411 120.400 0.068 0.000 2.504 3267 K HA -0.131 4.190 4.320 0.002 0.000 0.195 3267 K C 0.754 177.378 176.600 0.039 0.000 1.036 3267 K CA 1.221 57.538 56.287 0.050 0.000 0.984 3267 K CB 0.067 32.600 32.500 0.054 0.000 0.788 3267 K HN 0.483 nan 8.250 nan 0.000 0.488 3268 D N -0.894 119.528 120.400 0.037 0.000 2.449 3268 D HA -0.036 4.605 4.640 0.002 0.000 0.210 3268 D C 1.327 177.640 176.300 0.022 0.000 1.094 3268 D CA 0.683 54.700 54.000 0.028 0.000 0.846 3268 D CB 0.959 41.776 40.800 0.028 0.000 1.003 3268 D HN 0.316 nan 8.370 nan 0.000 0.504 3269 T N -2.925 111.641 114.554 0.020 0.000 2.975 3269 T HA 0.074 4.425 4.350 0.002 0.000 0.261 3269 T C 0.785 175.493 174.700 0.013 0.000 0.984 3269 T CA -0.012 62.096 62.100 0.013 0.000 0.911 3269 T CB 0.686 69.555 68.868 0.001 0.000 1.127 3269 T HN -0.269 nan 8.240 nan 0.000 0.514 3270 Q N 0.330 120.139 119.800 0.016 0.000 2.332 3270 Q HA -0.133 4.208 4.340 0.002 0.000 0.222 3270 Q C 0.208 176.207 176.000 -0.002 0.000 0.758 3270 Q CA 0.747 56.556 55.803 0.011 0.000 1.355 3270 Q CB -2.711 26.034 28.738 0.012 0.000 1.705 3270 Q HN 0.631 nan 8.270 nan 0.000 0.638 3271 V N 1.563 121.473 119.914 -0.007 0.000 3.032 3271 V HA -0.071 4.050 4.120 0.002 0.000 0.307 3271 V C 1.067 177.134 176.094 -0.045 0.000 1.097 3271 V CA 0.400 62.684 62.300 -0.027 0.000 1.191 3271 V CB 0.729 32.533 31.823 -0.032 0.000 0.964 3271 V HN 0.114 nan 8.190 nan 0.000 0.494 3272 E N 4.240 124.401 120.200 -0.064 0.000 2.180 3272 E HA 0.308 4.660 4.350 0.002 0.000 0.283 3272 E C -0.540 175.977 176.600 -0.138 0.000 1.061 3272 E CA -0.121 56.228 56.400 -0.085 0.000 0.861 3272 E CB 0.956 30.611 29.700 -0.076 0.000 1.056 3272 E HN 0.339 nan 8.360 nan 0.000 0.407 3273 M N 3.196 122.681 119.600 -0.191 0.000 2.327 3273 M HA 0.409 4.890 4.480 0.002 0.000 0.298 3273 M C -0.274 175.773 176.300 -0.421 0.000 1.065 3273 M CA -0.907 54.172 55.300 -0.368 0.000 0.916 3273 M CB 1.528 33.807 32.600 -0.536 0.000 1.630 3273 M HN 0.295 nan 8.290 nan 0.000 0.442 3274 I N 3.890 124.222 120.570 -0.397 0.000 2.347 3274 I HA 0.233 4.404 4.170 0.002 0.000 0.294 3274 I C -1.045 174.920 176.117 -0.252 0.000 1.090 3274 I CA -0.217 60.932 61.300 -0.253 0.000 1.314 3274 I CB -0.382 37.534 38.000 -0.140 0.000 1.423 3274 I HN 0.359 nan 8.210 nan 0.000 0.503 3275 Y N 6.407 126.628 120.300 -0.132 0.000 2.553 3275 Y HA 0.557 5.108 4.550 0.002 0.000 0.347 3275 Y C -2.283 173.473 175.900 -0.240 0.000 1.019 3275 Y CA -3.142 54.840 58.100 -0.196 0.000 1.032 3275 Y CB 1.624 40.000 38.460 -0.141 0.000 1.284 3275 Y HN 0.412 nan 8.280 nan 0.000 0.466 3276 P HA 0.331 nan 4.420 nan 0.000 0.290 3276 P C -2.360 174.719 177.300 -0.369 0.000 1.276 3276 P CA -1.659 61.270 63.100 -0.285 0.000 0.808 3276 P CB 1.392 32.881 31.700 -0.351 0.000 0.966 3277 P HA -0.296 nan 4.420 nan 0.000 0.226 3277 P C 1.445 178.718 177.300 -0.046 0.000 1.154 3277 P CA 1.965 65.041 63.100 -0.041 0.000 0.918 3277 P CB -0.452 31.293 31.700 0.074 0.000 0.790 3278 H N -1.422 117.659 119.070 0.019 0.000 2.389 3278 H HA -0.029 4.528 4.556 0.002 0.000 0.299 3278 H C 1.028 176.345 175.328 -0.019 0.000 1.081 3278 H CA 0.317 56.369 56.048 0.008 0.000 1.345 3278 H CB -1.465 28.309 29.762 0.019 0.000 1.393 3278 H HN 0.075 nan 8.280 nan 0.000 0.520 3279 I N 4.908 125.324 120.570 -0.256 0.000 3.089 3279 I HA -0.087 4.084 4.170 0.002 0.000 0.321 3279 I C -1.962 174.086 176.117 -0.115 0.000 1.222 3279 I CA -1.013 60.157 61.300 -0.216 0.000 1.452 3279 I CB -0.559 37.193 38.000 -0.414 0.000 1.321 3279 I HN 0.157 nan 8.210 nan 0.000 0.539 3280 P HA 0.213 nan 4.420 nan 0.000 0.279 3280 P C 0.481 177.765 177.300 -0.027 0.000 1.239 3280 P CA -0.435 62.644 63.100 -0.036 0.000 0.789 3280 P CB 1.071 32.757 31.700 -0.024 0.000 0.933 3281 E N 1.710 121.918 120.200 0.015 0.000 2.114 3281 E HA -0.249 4.102 4.350 0.002 0.000 0.199 3281 E C 1.671 178.316 176.600 0.074 0.000 1.008 3281 E CA 1.618 58.049 56.400 0.051 0.000 0.810 3281 E CB -0.263 29.468 29.700 0.052 0.000 0.739 3281 E HN 0.595 nan 8.360 nan 0.000 0.456 3282 N N 0.727 119.460 118.700 0.056 0.000 2.513 3282 N HA -0.190 4.551 4.740 0.002 0.000 0.187 3282 N C 1.477 177.057 175.510 0.117 0.000 1.056 3282 N CA 0.957 54.056 53.050 0.080 0.000 0.907 3282 N CB -0.008 38.508 38.487 0.048 0.000 0.954 3282 N HN 0.277 nan 8.380 nan 0.000 0.445 3283 L N -0.402 120.844 121.223 0.037 0.000 2.642 3283 L HA 0.141 4.482 4.340 0.002 0.000 0.233 3283 L C 0.402 177.207 176.870 -0.109 0.000 1.077 3283 L CA -0.061 54.712 54.840 -0.113 0.000 0.879 3283 L CB 0.115 42.018 42.059 -0.260 0.000 1.151 3283 L HN 0.001 nan 8.230 nan 0.000 0.495 3284 Q N 1.788 121.622 119.800 0.057 0.000 2.320 3284 Q HA 0.100 4.441 4.340 0.002 0.000 0.262 3284 Q C -0.701 175.698 176.000 0.663 0.000 1.225 3284 Q CA 0.419 56.402 55.803 0.300 0.000 0.916 3284 Q CB -0.190 28.747 28.738 0.332 0.000 1.417 3284 Q HN 0.256 nan 8.270 nan 0.000 0.462 3285 F N 0.871 121.059 119.950 0.396 0.000 2.399 3285 F HA 0.372 4.900 4.527 0.002 0.000 0.342 3285 F C 0.680 176.576 175.800 0.161 0.000 1.106 3285 F CA -1.108 57.035 58.000 0.239 0.000 1.196 3285 F CB 0.932 40.047 39.000 0.192 0.000 1.163 3285 F HN 0.424 nan 8.300 nan 0.000 0.547 3286 A N 3.683 126.615 122.820 0.187 0.000 2.287 3286 A HA 0.717 5.038 4.320 0.002 0.000 0.317 3286 A C -0.839 176.764 177.584 0.032 0.000 1.220 3286 A CA -0.496 51.577 52.037 0.060 0.000 0.835 3286 A CB 1.114 20.127 19.000 0.022 0.000 1.180 3286 A HN 0.687 nan 8.150 nan 0.000 0.500 3287 V N 0.023 119.942 119.914 0.008 0.000 3.232 3287 V HA 0.839 4.960 4.120 0.002 0.000 0.303 3287 V C 1.022 177.058 176.094 -0.097 0.000 1.311 3287 V CA 0.010 62.304 62.300 -0.010 0.000 1.061 3287 V CB 1.055 32.931 31.823 0.089 0.000 1.085 3287 V HN 1.376 nan 8.190 nan 0.000 0.447 3288 G N 0.107 108.819 108.800 -0.147 0.000 2.606 3288 G HA2 -0.196 3.765 3.960 0.002 0.000 0.221 3288 G HA3 -0.196 3.765 3.960 0.002 0.000 0.221 3288 G C 0.698 175.432 174.900 -0.276 0.000 1.152 3288 G CA 1.386 46.358 45.100 -0.213 0.000 0.765 3288 G HN 0.834 nan 8.290 nan 0.000 0.595 3289 Q N 0.424 119.966 119.800 -0.429 0.000 2.278 3289 Q HA 0.191 4.532 4.340 0.002 0.000 0.257 3289 Q C 1.491 177.280 176.000 -0.351 0.000 0.928 3289 Q CA -0.119 55.325 55.803 -0.598 0.000 0.932 3289 Q CB 1.545 29.364 28.738 -1.531 0.000 1.221 3289 Q HN 0.771 nan 8.270 nan 0.000 0.434 3290 E N 1.951 122.003 120.200 -0.246 0.000 2.204 3290 E HA -0.135 4.216 4.350 0.002 0.000 0.194 3290 E C 1.309 177.820 176.600 -0.148 0.000 0.989 3290 E CA 0.792 57.079 56.400 -0.188 0.000 0.824 3290 E CB 0.090 29.694 29.700 -0.160 0.000 0.756 3290 E HN 0.304 nan 8.360 nan 0.000 0.477 3291 V N 0.369 120.257 119.914 -0.044 0.000 2.649 3291 V HA -0.131 3.990 4.120 0.002 0.000 0.248 3291 V C 1.434 177.684 176.094 0.261 0.000 1.054 3291 V CA 0.763 63.120 62.300 0.096 0.000 1.073 3291 V CB -0.569 31.366 31.823 0.186 0.000 0.699 3291 V HN 0.160 nan 8.190 nan 0.000 0.463 3292 F N 1.707 121.661 119.950 0.007 0.000 2.406 3292 F HA -0.145 4.383 4.527 0.002 0.000 0.297 3292 F C 2.180 178.018 175.800 0.064 0.000 1.059 3292 F CA 1.069 59.088 58.000 0.031 0.000 1.458 3292 F CB -1.557 37.469 39.000 0.045 0.000 1.107 3292 F HN 0.296 nan 8.300 nan 0.000 0.582 3293 G N -0.450 108.523 108.800 0.288 0.000 2.464 3293 G HA2 -0.089 3.872 3.960 0.002 0.000 0.217 3293 G HA3 -0.089 3.872 3.960 0.002 0.000 0.217 3293 G C 1.533 176.605 174.900 0.287 0.000 1.138 3293 G CA 0.033 45.401 45.100 0.447 0.000 0.793 3293 G HN 0.391 nan 8.290 nan 0.000 0.539 3294 L N 0.674 122.039 121.223 0.236 0.000 2.675 3294 L HA 0.196 4.537 4.340 0.002 0.000 0.238 3294 L C -0.262 176.682 176.870 0.124 0.000 1.155 3294 L CA -0.057 54.940 54.840 0.262 0.000 0.881 3294 L CB 0.085 42.284 42.059 0.233 0.000 1.008 3294 L HN -0.076 nan 8.230 nan 0.000 0.443 3295 V N -0.583 119.279 119.914 -0.086 0.000 2.568 3295 V HA 0.191 4.312 4.120 0.002 0.000 0.276 3295 V C -1.731 174.031 176.094 -0.553 0.000 1.002 3295 V CA -0.803 61.291 62.300 -0.342 0.000 0.879 3295 V CB 1.807 33.470 31.823 -0.267 0.000 1.040 3295 V HN -0.101 nan 8.190 nan 0.000 0.457 3296 P HA -0.166 nan 4.420 nan 0.000 0.219 3296 P C 1.623 178.491 177.300 -0.720 0.000 1.144 3296 P CA 1.752 64.438 63.100 -0.690 0.000 0.806 3296 P CB 0.335 31.604 31.700 -0.717 0.000 0.771 3297 G N -0.595 107.549 108.800 -1.094 0.000 2.414 3297 G HA2 -0.202 3.759 3.960 0.002 0.000 0.215 3297 G HA3 -0.202 3.759 3.960 0.002 0.000 0.215 3297 G C 1.314 175.621 174.900 -0.988 0.000 1.188 3297 G CA 0.453 44.523 45.100 -1.717 0.000 0.783 3297 G HN 0.119 nan 8.290 nan 0.000 0.537 3298 L N 0.073 120.870 121.223 -0.710 0.000 1.943 3298 L HA -0.014 4.327 4.340 0.002 0.000 0.215 3298 L C 2.819 179.582 176.870 -0.178 0.000 1.074 3298 L CA 2.079 56.674 54.840 -0.408 0.000 0.759 3298 L CB -1.181 40.494 42.059 -0.640 0.000 0.888 3298 L HN 0.258 nan 8.230 nan 0.000 0.433 3299 M N -0.965 118.542 119.600 -0.154 0.000 2.124 3299 M HA -0.319 4.162 4.480 0.002 0.000 0.253 3299 M C 2.255 178.547 176.300 -0.013 0.000 1.077 3299 M CA 2.006 57.314 55.300 0.013 0.000 1.085 3299 M CB -0.602 31.964 32.600 -0.058 0.000 1.320 3299 M HN 0.388 nan 8.290 nan 0.000 0.404 3300 M N -1.403 118.059 119.600 -0.229 0.000 2.082 3300 M HA -0.295 4.186 4.480 0.002 0.000 0.258 3300 M C 1.950 178.161 176.300 -0.149 0.000 1.071 3300 M CA 2.104 57.233 55.300 -0.285 0.000 1.103 3300 M CB -0.717 31.596 32.600 -0.479 0.000 1.307 3300 M HN 0.340 nan 8.290 nan 0.000 0.409 3301 Y N 0.732 120.926 120.300 -0.177 0.000 2.081 3301 Y HA -0.221 4.330 4.550 0.002 0.000 0.280 3301 Y C 2.782 178.638 175.900 -0.073 0.000 1.163 3301 Y CA 1.715 59.663 58.100 -0.253 0.000 1.135 3301 Y CB -1.481 36.617 38.460 -0.603 0.000 0.970 3301 Y HN 0.465 nan 8.280 nan 0.000 0.498 3302 A N -0.108 122.898 122.820 0.309 0.000 1.862 3302 A HA -0.354 3.967 4.320 0.002 0.000 0.217 3302 A C 2.330 180.081 177.584 0.278 0.000 1.251 3302 A CA 3.431 55.740 52.037 0.452 0.000 0.673 3302 A CB -1.576 17.687 19.000 0.438 0.000 0.843 3302 A HN 0.488 nan 8.150 nan 0.000 0.458 3303 T N 0.444 115.110 114.554 0.186 0.000 2.701 3303 T HA -0.296 4.055 4.350 0.002 0.000 0.265 3303 T C 1.712 176.433 174.700 0.036 0.000 1.032 3303 T CA 2.066 64.222 62.100 0.093 0.000 1.158 3303 T CB -0.853 68.052 68.868 0.062 0.000 0.854 3303 T HN 0.455 nan 8.240 nan 0.000 0.463 3304 I N -0.851 119.731 120.570 0.018 0.000 2.072 3304 I HA -0.168 4.003 4.170 0.002 0.000 0.235 3304 I C 2.427 178.557 176.117 0.023 0.000 1.058 3304 I CA 1.682 62.947 61.300 -0.058 0.000 1.320 3304 I CB -0.543 37.368 38.000 -0.149 0.000 1.047 3304 I HN 0.293 nan 8.210 nan 0.000 0.397 3305 W N 1.011 122.358 121.300 0.078 0.000 2.302 3305 W HA -0.306 4.355 4.660 0.002 0.000 0.320 3305 W C 2.642 179.199 176.519 0.064 0.000 1.241 3305 W CA 1.338 58.731 57.345 0.080 0.000 1.264 3305 W CB -0.564 28.953 29.460 0.094 0.000 1.154 3305 W HN 0.208 nan 8.180 nan 0.000 0.483 3306 L N 0.834 122.238 121.223 0.302 0.000 2.021 3306 L HA -0.318 4.023 4.340 0.002 0.000 0.215 3306 L C 2.548 179.539 176.870 0.202 0.000 1.074 3306 L CA 2.012 56.957 54.840 0.175 0.000 0.760 3306 L CB -0.490 41.636 42.059 0.112 0.000 0.889 3306 L HN 0.002 nan 8.230 nan 0.000 0.433 3307 R N -0.456 120.124 120.500 0.133 0.000 2.091 3307 R HA -0.237 4.105 4.340 0.002 0.000 0.238 3307 R C 2.215 178.596 176.300 0.134 0.000 1.136 3307 R CA 1.578 57.730 56.100 0.086 0.000 0.959 3307 R CB -0.403 29.886 30.300 -0.018 0.000 0.856 3307 R HN 0.470 nan 8.270 nan 0.000 0.437 3308 E N 0.462 120.762 120.200 0.167 0.000 2.023 3308 E HA -0.261 4.090 4.350 0.002 0.000 0.196 3308 E C 1.660 178.409 176.600 0.248 0.000 1.003 3308 E CA 2.071 58.589 56.400 0.196 0.000 0.809 3308 E CB -0.405 29.473 29.700 0.297 0.000 0.755 3308 E HN 0.438 nan 8.360 nan 0.000 0.449 3309 H N 0.132 119.338 119.070 0.225 0.000 2.296 3309 H HA -0.189 4.369 4.556 0.002 0.000 0.291 3309 H C 1.771 177.198 175.328 0.166 0.000 1.074 3309 H CA 2.858 59.026 56.048 0.199 0.000 1.176 3309 H CB -0.547 29.329 29.762 0.190 0.000 1.357 3309 H HN 0.213 nan 8.280 nan 0.000 0.520 3310 N N 0.285 119.198 118.700 0.355 0.000 2.184 3310 N HA -0.199 4.542 4.740 0.002 0.000 0.190 3310 N C 2.030 177.621 175.510 0.135 0.000 1.011 3310 N CA 1.362 54.569 53.050 0.262 0.000 0.867 3310 N CB -0.478 38.208 38.487 0.331 0.000 0.993 3310 N HN 0.430 nan 8.380 nan 0.000 0.433 3311 R N 0.820 121.392 120.500 0.120 0.000 2.080 3311 R HA -0.077 4.264 4.340 0.002 0.000 0.236 3311 R C 1.799 178.129 176.300 0.049 0.000 1.137 3311 R CA 1.233 57.377 56.100 0.075 0.000 0.943 3311 R CB -0.517 29.822 30.300 0.065 0.000 0.846 3311 R HN 0.050 nan 8.270 nan 0.000 0.431 3312 V N 0.664 120.600 119.914 0.037 0.000 2.287 3312 V HA -0.351 3.770 4.120 0.002 0.000 0.248 3312 V C 2.642 178.733 176.094 -0.006 0.000 1.053 3312 V CA 1.964 64.272 62.300 0.014 0.000 1.027 3312 V CB -0.456 31.372 31.823 0.008 0.000 0.646 3312 V HN 0.568 nan 8.190 nan 0.000 0.447 3313 C N 0.046 119.321 119.300 -0.042 0.000 2.376 3313 C HA -0.243 4.218 4.460 0.002 0.000 0.275 3313 C C 2.485 177.501 174.990 0.044 0.000 1.200 3313 C CA 1.423 60.447 59.018 0.009 0.000 1.756 3313 C CB -1.219 26.547 27.740 0.044 0.000 2.050 3313 C HN 0.643 nan 8.230 nan 0.000 0.460 3314 D N 0.741 121.169 120.400 0.047 0.000 2.104 3314 D HA -0.115 4.526 4.640 0.002 0.000 0.194 3314 D C 1.790 178.092 176.300 0.003 0.000 0.994 3314 D CA 1.366 55.389 54.000 0.037 0.000 0.830 3314 D CB -0.540 40.286 40.800 0.043 0.000 0.959 3314 D HN 0.512 nan 8.370 nan 0.000 0.452 3315 I N 0.518 121.084 120.570 -0.006 0.000 2.194 3315 I HA -0.256 3.915 4.170 0.002 0.000 0.246 3315 I C 2.522 178.585 176.117 -0.090 0.000 1.093 3315 I CA 0.833 62.111 61.300 -0.037 0.000 1.355 3315 I CB -0.373 37.614 38.000 -0.021 0.000 1.046 3315 I HN -0.012 nan 8.210 nan 0.000 0.413 3316 L N 0.736 121.917 121.223 -0.070 0.000 1.988 3316 L HA -0.214 4.127 4.340 0.002 0.000 0.207 3316 L C 2.679 179.437 176.870 -0.186 0.000 1.071 3316 L CA 1.629 56.380 54.840 -0.148 0.000 0.744 3316 L CB -0.632 41.438 42.059 0.018 0.000 0.893 3316 L HN 0.211 nan 8.230 nan 0.000 0.433 3317 K N -0.216 120.163 120.400 -0.036 0.000 2.293 3317 K HA -0.297 4.024 4.320 0.002 0.000 0.204 3317 K C 2.077 178.640 176.600 -0.061 0.000 1.045 3317 K CA 1.504 57.791 56.287 -0.001 0.000 0.933 3317 K CB 0.062 32.596 32.500 0.056 0.000 0.736 3317 K HN 0.126 nan 8.250 nan 0.000 0.463 3318 Q N 0.660 120.398 119.800 -0.104 0.000 2.033 3318 Q HA -0.091 4.250 4.340 0.002 0.000 0.196 3318 Q C 1.651 177.539 176.000 -0.187 0.000 0.970 3318 Q CA 1.615 57.354 55.803 -0.107 0.000 0.828 3318 Q CB -0.063 28.622 28.738 -0.089 0.000 0.895 3318 Q HN 0.233 nan 8.270 nan 0.000 0.440 3319 E N -0.263 119.736 120.200 -0.335 0.000 2.051 3319 E HA -0.102 4.249 4.350 0.002 0.000 0.192 3319 E C -0.064 176.159 176.600 -0.627 0.000 0.991 3319 E CA 1.138 57.204 56.400 -0.556 0.000 0.799 3319 E CB 0.037 29.211 29.700 -0.876 0.000 0.748 3319 E HN 0.381 nan 8.360 nan 0.000 0.449 3320 H N -0.739 118.091 119.070 -0.401 0.000 2.530 3320 H HA 0.198 4.755 4.556 0.002 0.000 0.246 3320 H C -1.911 173.303 175.328 -0.189 0.000 1.346 3320 H CA -2.257 53.498 56.048 -0.489 0.000 1.424 3320 H CB 0.789 29.714 29.762 -1.395 0.000 1.445 3320 H HN 0.132 nan 8.280 nan 0.000 0.511 3321 P HA -0.099 nan 4.420 nan 0.000 0.231 3321 P C 0.283 177.650 177.300 0.112 0.000 1.158 3321 P CA 0.776 63.907 63.100 0.050 0.000 0.763 3321 P CB 0.303 32.019 31.700 0.027 0.000 0.805 3322 E N -2.596 117.696 120.200 0.152 0.000 2.437 3322 E HA 0.120 4.471 4.350 0.002 0.000 0.195 3322 E C -0.148 176.695 176.600 0.406 0.000 1.029 3322 E CA -0.383 56.146 56.400 0.215 0.000 0.948 3322 E CB -0.504 29.304 29.700 0.179 0.000 1.082 3322 E HN 0.127 nan 8.360 nan 0.000 0.456 3323 W N 0.877 122.229 121.300 0.086 0.000 2.497 3323 W HA 0.719 5.380 4.660 0.002 0.000 0.359 3323 W C 0.867 177.427 176.519 0.069 0.000 1.131 3323 W CA -1.229 56.159 57.345 0.072 0.000 1.280 3323 W CB 1.176 30.707 29.460 0.117 0.000 1.319 3323 W HN 0.059 nan 8.180 nan 0.000 0.626 3324 G N 0.452 109.360 108.800 0.181 0.000 2.462 3324 G HA2 0.201 4.162 3.960 0.002 0.000 0.319 3324 G HA3 0.201 4.162 3.960 0.002 0.000 0.319 3324 G C 0.285 175.279 174.900 0.158 0.000 1.171 3324 G CA -0.210 44.961 45.100 0.118 0.000 0.920 3324 G HN 0.480 nan 8.290 nan 0.000 0.499 3325 D N -0.304 120.187 120.400 0.152 0.000 2.127 3325 D HA -0.208 4.433 4.640 0.002 0.000 0.190 3325 D C 1.844 178.281 176.300 0.229 0.000 1.000 3325 D CA 1.604 55.725 54.000 0.202 0.000 0.839 3325 D CB 0.100 41.022 40.800 0.204 0.000 0.955 3325 D HN 0.384 nan 8.370 nan 0.000 0.446 3326 E N -0.462 119.837 120.200 0.165 0.000 2.401 3326 E HA -0.194 4.157 4.350 0.002 0.000 0.199 3326 E C 1.810 178.497 176.600 0.144 0.000 1.023 3326 E CA 0.558 57.051 56.400 0.156 0.000 0.859 3326 E CB -0.017 29.724 29.700 0.069 0.000 0.780 3326 E HN 0.595 nan 8.360 nan 0.000 0.523 3327 Q N -0.239 119.599 119.800 0.063 0.000 2.226 3327 Q HA -0.007 4.334 4.340 0.002 0.000 0.199 3327 Q C 2.319 178.374 176.000 0.092 0.000 0.945 3327 Q CA 0.155 55.906 55.803 -0.085 0.000 0.861 3327 Q CB 0.152 28.616 28.738 -0.458 0.000 0.953 3327 Q HN 0.193 nan 8.270 nan 0.000 0.490 3328 L N 0.315 121.703 121.223 0.275 0.000 1.970 3328 L HA -0.183 4.158 4.340 0.002 0.000 0.212 3328 L C 2.404 179.440 176.870 0.277 0.000 1.071 3328 L CA 1.786 56.852 54.840 0.378 0.000 0.751 3328 L CB -0.690 41.574 42.059 0.341 0.000 0.889 3328 L HN 0.334 nan 8.230 nan 0.000 0.432 3329 F N 0.375 120.427 119.950 0.169 0.000 2.115 3329 F HA -0.329 4.199 4.527 0.002 0.000 0.300 3329 F C 2.640 178.515 175.800 0.125 0.000 1.092 3329 F CA 1.736 59.850 58.000 0.190 0.000 1.245 3329 F CB -0.144 38.948 39.000 0.153 0.000 0.995 3329 F HN 0.130 nan 8.300 nan 0.000 0.481 3330 Q N -0.281 119.671 119.800 0.252 0.000 2.137 3330 Q HA -0.086 4.255 4.340 0.002 0.000 0.198 3330 Q C 2.200 178.212 176.000 0.020 0.000 0.960 3330 Q CA 1.855 57.706 55.803 0.080 0.000 0.847 3330 Q CB -0.639 28.203 28.738 0.173 0.000 0.915 3330 Q HN 0.447 nan 8.270 nan 0.000 0.448 3331 T N 1.053 115.675 114.554 0.114 0.000 2.777 3331 T HA -0.091 4.260 4.350 0.002 0.000 0.266 3331 T C 2.204 177.012 174.700 0.181 0.000 1.040 3331 T CA 1.351 63.580 62.100 0.214 0.000 1.141 3331 T CB -0.175 68.963 68.868 0.449 0.000 0.868 3331 T HN 0.154 nan 8.240 nan 0.000 0.444 3332 S N 1.294 117.032 115.700 0.063 0.000 2.365 3332 S HA -0.201 4.270 4.470 0.002 0.000 0.221 3332 S C 2.077 176.695 174.600 0.032 0.000 1.037 3332 S CA 1.591 59.763 58.200 -0.047 0.000 1.060 3332 S CB -0.417 62.513 63.200 -0.450 0.000 0.974 3332 S HN 0.482 nan 8.310 nan 0.000 0.427 3333 R N 0.792 121.239 120.500 -0.088 0.000 2.185 3333 R HA -0.121 4.220 4.340 0.002 0.000 0.247 3333 R C 2.091 178.435 176.300 0.073 0.000 1.159 3333 R CA 1.191 57.237 56.100 -0.089 0.000 0.988 3333 R CB -0.348 29.576 30.300 -0.628 0.000 0.871 3333 R HN 0.379 nan 8.270 nan 0.000 0.458 3334 L N -0.138 121.173 121.223 0.147 0.000 2.044 3334 L HA -0.131 4.210 4.340 0.002 0.000 0.205 3334 L C 2.353 179.498 176.870 0.459 0.000 1.075 3334 L CA 1.172 56.209 54.840 0.329 0.000 0.747 3334 L CB -0.361 41.920 42.059 0.371 0.000 0.903 3334 L HN 0.239 nan 8.230 nan 0.000 0.435 3335 I N -0.371 120.451 120.570 0.419 0.000 2.127 3335 I HA -0.334 3.837 4.170 0.002 0.000 0.241 3335 I C 2.418 178.670 176.117 0.225 0.000 1.075 3335 I CA 1.205 62.679 61.300 0.291 0.000 1.334 3335 I CB -0.293 37.851 38.000 0.239 0.000 1.040 3335 I HN 0.111 nan 8.210 nan 0.000 0.405 3336 L N 0.148 121.506 121.223 0.225 0.000 1.990 3336 L HA -0.257 4.084 4.340 0.002 0.000 0.213 3336 L C 2.378 179.334 176.870 0.144 0.000 1.072 3336 L CA 1.893 56.868 54.840 0.225 0.000 0.755 3336 L CB -0.604 41.595 42.059 0.233 0.000 0.889 3336 L HN 0.167 nan 8.230 nan 0.000 0.432 3337 I N -1.028 119.626 120.570 0.140 0.000 2.248 3337 I HA -0.331 3.840 4.170 0.002 0.000 0.248 3337 I C 2.339 178.552 176.117 0.161 0.000 1.107 3337 I CA 1.546 62.914 61.300 0.114 0.000 1.373 3337 I CB -0.660 37.426 38.000 0.145 0.000 1.055 3337 I HN 0.401 nan 8.210 nan 0.000 0.418 3338 G N -0.208 108.734 108.800 0.237 0.000 2.511 3338 G HA2 -0.278 3.683 3.960 0.002 0.000 0.216 3338 G HA3 -0.278 3.683 3.960 0.002 0.000 0.216 3338 G C 1.411 176.458 174.900 0.245 0.000 1.218 3338 G CA 0.891 46.159 45.100 0.280 0.000 0.788 3338 G HN 0.383 nan 8.290 nan 0.000 0.560 3339 E N -0.371 119.971 120.200 0.236 0.000 2.055 3339 E HA -0.194 4.157 4.350 0.002 0.000 0.209 3339 E C 2.784 179.555 176.600 0.284 0.000 1.036 3339 E CA 1.969 58.536 56.400 0.277 0.000 0.849 3339 E CB -0.458 29.466 29.700 0.373 0.000 0.767 3339 E HN 0.346 nan 8.360 nan 0.000 0.461 3340 T N 1.556 116.278 114.554 0.281 0.000 2.536 3340 T HA -0.241 4.110 4.350 0.002 0.000 0.263 3340 T C 1.842 176.570 174.700 0.047 0.000 1.115 3340 T CA 1.686 63.913 62.100 0.212 0.000 1.180 3340 T CB -0.396 68.481 68.868 0.014 0.000 0.864 3340 T HN 0.128 nan 8.240 nan 0.000 0.419 3341 I N 1.307 121.843 120.570 -0.056 0.000 2.300 3341 I HA -0.244 3.928 4.170 0.002 0.000 0.252 3341 I C 2.398 178.193 176.117 -0.538 0.000 1.119 3341 I CA 1.668 62.768 61.300 -0.334 0.000 1.384 3341 I CB -0.888 36.824 38.000 -0.481 0.000 1.062 3341 I HN 0.299 nan 8.210 nan 0.000 0.426 3342 K N 1.896 122.158 120.400 -0.230 0.000 1.975 3342 K HA -0.062 4.259 4.320 0.002 0.000 0.210 3342 K C 2.044 178.670 176.600 0.043 0.000 1.041 3342 K CA 1.319 57.620 56.287 0.024 0.000 0.942 3342 K CB -0.452 32.227 32.500 0.297 0.000 0.729 3342 K HN 0.142 nan 8.250 nan 0.000 0.439 3343 I N 0.738 121.378 120.570 0.116 0.000 2.300 3343 I HA -0.300 3.871 4.170 0.002 0.000 0.252 3343 I C 2.039 178.186 176.117 0.049 0.000 1.119 3343 I CA 0.946 62.330 61.300 0.140 0.000 1.384 3343 I CB -0.219 37.947 38.000 0.276 0.000 1.062 3343 I HN 0.075 nan 8.210 nan 0.000 0.426 3344 V N 1.015 120.881 119.914 -0.080 0.000 2.232 3344 V HA -0.251 3.870 4.120 0.002 0.000 0.239 3344 V C 2.257 178.294 176.094 -0.094 0.000 1.040 3344 V CA 1.855 63.987 62.300 -0.280 0.000 0.996 3344 V CB -0.288 31.191 31.823 -0.573 0.000 0.638 3344 V HN 0.225 nan 8.190 nan 0.000 0.453 3345 I N 0.105 120.608 120.570 -0.113 0.000 2.091 3345 I HA -0.341 3.830 4.170 0.002 0.000 0.240 3345 I C 2.556 178.716 176.117 0.072 0.000 1.046 3345 I CA 2.134 63.424 61.300 -0.017 0.000 1.306 3345 I CB -0.476 37.480 38.000 -0.072 0.000 1.018 3345 I HN 0.444 nan 8.210 nan 0.000 0.404 3346 E N -0.022 120.228 120.200 0.083 0.000 2.216 3346 E HA -0.128 4.223 4.350 0.002 0.000 0.192 3346 E C 1.004 177.673 176.600 0.115 0.000 0.988 3346 E CA 0.854 57.315 56.400 0.102 0.000 0.834 3346 E CB 0.078 29.844 29.700 0.110 0.000 0.772 3346 E HN 0.556 nan 8.360 nan 0.000 0.479 3347 D N -0.499 119.992 120.400 0.151 0.000 2.910 3347 D HA -0.004 4.637 4.640 0.002 0.000 0.241 3347 D C 1.356 177.853 176.300 0.328 0.000 1.346 3347 D CA -0.259 53.885 54.000 0.240 0.000 1.227 3347 D CB -1.037 39.925 40.800 0.271 0.000 0.926 3347 D HN -0.069 nan 8.370 nan 0.000 0.212 3348 Y N 2.043 122.413 120.300 0.117 0.000 1.667 3348 Y HA -0.443 4.108 4.550 0.002 0.000 0.166 3348 Y C 2.306 178.262 175.900 0.094 0.000 0.978 3348 Y CA 2.717 60.669 58.100 -0.248 0.000 0.822 3348 Y CB -0.811 37.239 38.460 -0.683 0.000 0.708 3348 Y HN -0.098 nan 8.280 nan 0.000 0.620 3349 V N 0.524 120.757 119.914 0.532 0.000 2.313 3349 V HA -0.428 3.693 4.120 0.002 0.000 0.253 3349 V C 2.257 178.452 176.094 0.169 0.000 1.070 3349 V CA 2.350 64.870 62.300 0.366 0.000 1.057 3349 V CB -1.178 30.789 31.823 0.240 0.000 0.653 3349 V HN 0.671 nan 8.190 nan 0.000 0.450 3350 Q N 0.631 120.522 119.800 0.152 0.000 1.985 3350 Q HA -0.291 4.050 4.340 0.002 0.000 0.207 3350 Q C 2.142 178.164 176.000 0.038 0.000 0.996 3350 Q CA 2.816 58.665 55.803 0.076 0.000 0.851 3350 Q CB -0.793 28.008 28.738 0.104 0.000 0.921 3350 Q HN 0.853 nan 8.270 nan 0.000 0.418 3351 H N -0.666 118.423 119.070 0.032 0.000 2.265 3351 H HA -0.182 4.375 4.556 0.002 0.000 0.293 3351 H C 1.708 176.973 175.328 -0.105 0.000 1.089 3351 H CA 2.090 58.130 56.048 -0.013 0.000 1.244 3351 H CB -0.685 29.121 29.762 0.073 0.000 1.355 3351 H HN 0.352 nan 8.280 nan 0.000 0.485 3352 L N 0.774 121.957 121.223 -0.068 0.000 2.211 3352 L HA -0.223 4.118 4.340 0.002 0.000 0.216 3352 L C 2.561 179.293 176.870 -0.230 0.000 1.092 3352 L CA 2.119 56.873 54.840 -0.143 0.000 0.767 3352 L CB -1.037 41.164 42.059 0.237 0.000 0.894 3352 L HN 0.673 nan 8.230 nan 0.000 0.437 3353 S N -1.694 113.812 115.700 -0.323 0.000 2.470 3353 S HA 0.166 4.637 4.470 0.002 0.000 0.222 3353 S C 1.683 175.981 174.600 -0.504 0.000 1.024 3353 S CA 0.470 58.288 58.200 -0.637 0.000 0.931 3353 S CB -0.131 62.350 63.200 -1.199 0.000 0.791 3353 S HN 0.596 nan 8.310 nan 0.000 0.513 3354 G N 0.747 109.345 108.800 -0.336 0.000 2.212 3354 G HA2 -0.272 3.689 3.960 0.002 0.000 0.267 3354 G HA3 -0.272 3.689 3.960 0.002 0.000 0.267 3354 G C -0.061 174.786 174.900 -0.088 0.000 1.002 3354 G CA 0.751 45.725 45.100 -0.210 0.000 0.729 3354 G HN 0.535 nan 8.290 nan 0.000 0.517 3355 Y N -0.984 119.217 120.300 -0.166 0.000 2.330 3355 Y HA 0.387 4.938 4.550 0.002 0.000 0.341 3355 Y C 1.742 177.475 175.900 -0.279 0.000 1.278 3355 Y CA -0.326 57.649 58.100 -0.209 0.000 1.453 3355 Y CB 0.310 38.682 38.460 -0.147 0.000 1.342 3355 Y HN 0.278 nan 8.280 nan 0.000 0.590 3356 H N 0.063 119.063 119.070 -0.117 0.000 2.547 3356 H HA 0.039 4.596 4.556 0.002 0.000 0.272 3356 H C -0.041 175.160 175.328 -0.212 0.000 0.971 3356 H CA -0.133 55.844 56.048 -0.118 0.000 1.245 3356 H CB 0.216 30.015 29.762 0.062 0.000 1.440 3356 H HN 0.417 nan 8.280 nan 0.000 0.540 3357 F N 2.572 122.144 119.950 -0.629 0.000 2.538 3357 F HA 0.106 4.634 4.527 0.002 0.000 0.371 3357 F C 0.158 175.876 175.800 -0.136 0.000 1.087 3357 F CA -0.473 57.232 58.000 -0.492 0.000 1.250 3357 F CB 0.475 38.928 39.000 -0.912 0.000 1.110 3357 F HN -0.248 nan 8.300 nan 0.000 0.570 3358 K N 8.075 128.016 120.400 -0.765 0.000 2.292 3358 K HA 0.209 4.530 4.320 0.002 0.000 0.290 3358 K C -0.369 175.765 176.600 -0.778 0.000 1.083 3358 K CA -0.360 55.601 56.287 -0.543 0.000 0.918 3358 K CB 0.313 32.618 32.500 -0.325 0.000 1.089 3358 K HN 0.717 nan 8.250 nan 0.000 0.473 3359 L N 3.778 124.851 121.223 -0.250 0.000 2.540 3359 L HA 0.012 4.353 4.340 0.002 0.000 0.276 3359 L C 0.518 177.394 176.870 0.010 0.000 1.212 3359 L CA 0.739 55.608 54.840 0.049 0.000 0.893 3359 L CB 0.188 42.347 42.059 0.166 0.000 1.138 3359 L HN 0.472 nan 8.230 nan 0.000 0.491 3360 K N 3.340 123.802 120.400 0.103 0.000 2.259 3360 K HA 0.371 4.692 4.320 0.002 0.000 0.252 3360 K C -1.177 175.535 176.600 0.187 0.000 0.936 3360 K CA -0.688 55.660 56.287 0.102 0.000 0.810 3360 K CB 1.604 34.144 32.500 0.067 0.000 1.143 3360 K HN 0.287 nan 8.250 nan 0.000 0.427 3361 F N 4.379 124.336 119.950 0.011 0.000 2.308 3361 F HA 0.381 4.909 4.527 0.002 0.000 0.370 3361 F C -1.326 174.454 175.800 -0.033 0.000 1.100 3361 F CA -1.136 56.850 58.000 -0.023 0.000 1.108 3361 F CB 0.722 39.710 39.000 -0.020 0.000 1.293 3361 F HN 0.521 nan 8.300 nan 0.000 0.478 3362 D N 7.994 128.170 120.400 -0.374 0.000 2.365 3362 D HA 0.385 5.026 4.640 0.002 0.000 0.235 3362 D C -2.494 173.526 176.300 -0.467 0.000 1.368 3362 D CA -1.911 51.817 54.000 -0.454 0.000 1.001 3362 D CB 2.122 42.834 40.800 -0.146 0.000 1.364 3362 D HN 0.180 nan 8.370 nan 0.000 0.577 3363 P HA -0.096 nan 4.420 nan 0.000 0.221 3363 P C 0.806 177.505 177.300 -1.002 0.000 1.145 3363 P CA 0.693 63.359 63.100 -0.722 0.000 0.795 3363 P CB 0.271 31.435 31.700 -0.894 0.000 0.775 3364 E N -0.673 119.007 120.200 -0.867 0.000 2.501 3364 E HA -0.109 4.242 4.350 0.002 0.000 0.203 3364 E C 1.458 177.819 176.600 -0.398 0.000 1.072 3364 E CA 0.529 56.447 56.400 -0.802 0.000 0.885 3364 E CB -0.407 29.271 29.700 -0.037 0.000 0.813 3364 E HN 0.388 nan 8.360 nan 0.000 0.556 3365 L N -0.425 120.597 121.223 -0.336 0.000 2.307 3365 L HA -0.010 4.331 4.340 0.002 0.000 0.211 3365 L C 1.883 178.702 176.870 -0.085 0.000 1.099 3365 L CA 0.417 55.179 54.840 -0.129 0.000 0.816 3365 L CB 0.050 42.051 42.059 -0.096 0.000 0.952 3365 L HN 0.129 nan 8.230 nan 0.000 0.455 3366 L N -1.590 119.545 121.223 -0.147 0.000 2.607 3366 L HA 0.102 4.443 4.340 0.002 0.000 0.228 3366 L C 1.409 178.484 176.870 0.341 0.000 1.123 3366 L CA -0.013 54.849 54.840 0.037 0.000 0.890 3366 L CB -0.148 41.858 42.059 -0.088 0.000 1.103 3366 L HN 0.164 nan 8.230 nan 0.000 0.468 3367 F N 2.390 122.454 119.950 0.189 0.000 2.772 3367 F HA -0.050 4.478 4.527 0.002 0.000 0.301 3367 F C 0.936 176.830 175.800 0.157 0.000 1.250 3367 F CA -0.079 58.037 58.000 0.193 0.000 1.441 3367 F CB -0.063 39.040 39.000 0.171 0.000 1.112 3367 F HN 0.477 nan 8.300 nan 0.000 0.563 3368 N N -1.669 117.222 118.700 0.319 0.000 2.194 3368 N HA -0.017 4.724 4.740 0.002 0.000 0.233 3368 N C -0.805 174.812 175.510 0.178 0.000 1.392 3368 N CA -0.127 53.051 53.050 0.214 0.000 0.790 3368 N CB -0.268 38.325 38.487 0.175 0.000 1.291 3368 N HN 0.039 nan 8.380 nan 0.000 0.518 3369 Q N 0.789 120.714 119.800 0.209 0.000 2.331 3369 Q HA 0.292 4.633 4.340 0.002 0.000 0.267 3369 Q C -0.351 175.778 176.000 0.215 0.000 1.006 3369 Q CA -0.182 55.724 55.803 0.171 0.000 0.818 3369 Q CB 2.213 31.025 28.738 0.123 0.000 1.276 3369 Q HN 0.244 nan 8.270 nan 0.000 0.450 3370 Q N 2.276 122.176 119.800 0.168 0.000 2.684 3370 Q HA 0.070 4.411 4.340 0.002 0.000 0.233 3370 Q C -0.993 175.119 176.000 0.187 0.000 1.352 3370 Q CA 0.122 56.019 55.803 0.157 0.000 0.872 3370 Q CB -0.316 28.487 28.738 0.107 0.000 1.674 3370 Q HN 0.310 nan 8.270 nan 0.000 0.558 3371 F N 1.429 121.393 119.950 0.023 0.000 2.458 3371 F HA 0.245 4.773 4.527 0.002 0.000 0.336 3371 F C -0.333 175.400 175.800 -0.111 0.000 1.114 3371 F CA -0.962 56.978 58.000 -0.100 0.000 0.987 3371 F CB 1.388 40.240 39.000 -0.247 0.000 1.130 3371 F HN 0.097 nan 8.300 nan 0.000 0.458 3372 Q N 6.326 125.586 119.800 -0.900 0.000 2.423 3372 Q HA 0.051 4.392 4.340 0.002 0.000 0.235 3372 Q C -1.019 174.349 176.000 -1.055 0.000 1.100 3372 Q CA -0.027 55.359 55.803 -0.695 0.000 0.908 3372 Q CB 0.046 28.542 28.738 -0.403 0.000 1.312 3372 Q HN 0.700 nan 8.270 nan 0.000 0.497 3373 Y N 2.989 122.950 120.300 -0.565 0.000 2.790 3373 Y HA -0.084 4.467 4.550 0.002 0.000 0.348 3373 Y C 1.042 176.833 175.900 -0.183 0.000 1.183 3373 Y CA 0.320 58.253 58.100 -0.278 0.000 2.002 3373 Y CB -0.108 38.373 38.460 0.034 0.000 2.086 3373 Y HN 0.413 nan 8.280 nan 0.000 0.412 3374 Q N 0.480 120.172 119.800 -0.181 0.000 2.633 3374 Q HA 0.475 4.816 4.340 0.002 0.000 0.289 3374 Q C -1.995 173.929 176.000 -0.125 0.000 0.940 3374 Q CA -1.264 54.479 55.803 -0.100 0.000 0.785 3374 Q CB 2.185 30.872 28.738 -0.085 0.000 1.467 3374 Q HN 0.377 nan 8.270 nan 0.000 0.401 3375 N N -0.294 118.351 118.700 -0.092 0.000 2.555 3375 N HA 0.515 5.256 4.740 0.002 0.000 0.265 3375 N C -2.213 173.267 175.510 -0.051 0.000 1.135 3375 N CA -0.452 52.546 53.050 -0.087 0.000 0.925 3375 N CB 2.215 40.642 38.487 -0.100 0.000 1.662 3375 N HN 0.600 nan 8.380 nan 0.000 0.489 3376 R N 2.986 123.473 120.500 -0.023 0.000 2.561 3376 R HA 0.580 4.921 4.340 0.002 0.000 0.297 3376 R C -1.361 174.976 176.300 0.061 0.000 0.969 3376 R CA -0.538 55.634 56.100 0.121 0.000 0.879 3376 R CB 0.838 31.158 30.300 0.034 0.000 1.178 3376 R HN 0.581 nan 8.270 nan 0.000 0.445 3377 I N 3.459 124.062 120.570 0.054 0.000 2.452 3377 I HA 0.294 4.466 4.170 0.002 0.000 0.287 3377 I C 0.300 176.468 176.117 0.085 0.000 1.079 3377 I CA 0.375 61.632 61.300 -0.071 0.000 1.387 3377 I CB 1.436 39.358 38.000 -0.130 0.000 1.404 3377 I HN 0.745 nan 8.210 nan 0.000 0.522 3378 A N 4.686 127.445 122.820 -0.102 0.000 2.340 3378 A HA 0.298 4.619 4.320 0.002 0.000 0.268 3378 A C 1.231 178.757 177.584 -0.096 0.000 1.100 3378 A CA -0.136 51.830 52.037 -0.118 0.000 0.803 3378 A CB 0.943 19.680 19.000 -0.438 0.000 1.043 3378 A HN 0.730 nan 8.150 nan 0.000 0.488 3379 S N 0.436 116.078 115.700 -0.097 0.000 2.353 3379 S HA -0.177 4.294 4.470 0.002 0.000 0.222 3379 S C 1.785 176.343 174.600 -0.069 0.000 1.035 3379 S CA 2.259 60.322 58.200 -0.229 0.000 1.025 3379 S CB -0.506 62.629 63.200 -0.107 0.000 0.902 3379 S HN 0.801 nan 8.310 nan 0.000 0.440 3380 E N 0.670 120.931 120.200 0.101 0.000 2.045 3380 E HA -0.204 4.147 4.350 0.002 0.000 0.212 3380 E C 1.620 178.255 176.600 0.059 0.000 1.039 3380 E CA 1.817 58.337 56.400 0.200 0.000 0.860 3380 E CB -0.707 29.219 29.700 0.377 0.000 0.776 3380 E HN 0.570 nan 8.360 nan 0.000 0.467 3381 F N 1.755 121.584 119.950 -0.201 0.000 2.141 3381 F HA -0.328 4.200 4.527 0.002 0.000 0.300 3381 F C 1.978 177.669 175.800 -0.182 0.000 1.079 3381 F CA 2.045 59.972 58.000 -0.122 0.000 1.264 3381 F CB -0.354 38.396 39.000 -0.416 0.000 1.011 3381 F HN 0.109 nan 8.300 nan 0.000 0.487 3382 N N -0.943 117.587 118.700 -0.283 0.000 2.106 3382 N HA -0.175 4.566 4.740 0.002 0.000 0.188 3382 N C 1.637 176.527 175.510 -1.033 0.000 1.029 3382 N CA 2.023 54.487 53.050 -0.976 0.000 0.848 3382 N CB -0.199 37.881 38.487 -0.679 0.000 1.007 3382 N HN 0.306 nan 8.380 nan 0.000 0.423 3383 T N 2.747 116.811 114.554 -0.816 0.000 2.622 3383 T HA -0.107 4.244 4.350 0.002 0.000 0.266 3383 T C 2.057 176.219 174.700 -0.897 0.000 1.047 3383 T CA 1.493 62.921 62.100 -1.120 0.000 1.159 3383 T CB -0.621 67.837 68.868 -0.683 0.000 0.863 3383 T HN 0.236 nan 8.240 nan 0.000 0.422 3384 L N 0.657 121.614 121.223 -0.443 0.000 2.211 3384 L HA -0.220 4.121 4.340 0.002 0.000 0.216 3384 L C 2.468 179.117 176.870 -0.370 0.000 1.092 3384 L CA 1.860 56.567 54.840 -0.222 0.000 0.767 3384 L CB -1.188 40.799 42.059 -0.120 0.000 0.894 3384 L HN 0.354 nan 8.230 nan 0.000 0.437 3385 Y N 0.980 120.748 120.300 -0.888 0.000 2.181 3385 Y HA -0.192 4.359 4.550 0.002 0.000 0.288 3385 Y C 1.639 177.097 175.900 -0.737 0.000 1.146 3385 Y CA 0.736 58.146 58.100 -1.150 0.000 1.164 3385 Y CB -0.953 36.728 38.460 -1.299 0.000 0.982 3385 Y HN 0.193 nan 8.280 nan 0.000 0.515 3386 H N 0.951 119.294 119.070 -1.211 0.000 5.055 3386 H HA -0.163 4.394 4.556 0.002 0.000 0.163 3386 H C -0.580 174.368 175.328 -0.634 0.000 0.878 3386 H CA -0.160 55.192 56.048 -1.159 0.000 1.395 3386 H CB -1.631 27.722 29.762 -0.682 0.000 1.592 3386 H HN 0.500 nan 8.280 nan 0.000 0.926 3387 W N 1.632 122.555 121.300 -0.629 0.000 2.960 3387 W HA 0.136 4.797 4.660 0.002 0.000 0.442 3387 W C 0.992 177.419 176.519 -0.154 0.000 0.774 3387 W CA -1.069 56.145 57.345 -0.218 0.000 2.207 3387 W CB -1.097 28.393 29.460 0.050 0.000 1.159 3387 W HN 0.691 nan 8.180 nan 0.000 0.845 3388 H N 1.289 120.498 119.070 0.231 0.000 2.289 3388 H HA -0.217 4.340 4.556 0.002 0.000 0.294 3388 H C -0.231 175.180 175.328 0.139 0.000 1.095 3388 H CA 2.294 58.448 56.048 0.176 0.000 1.256 3388 H CB -1.754 28.095 29.762 0.145 0.000 1.359 3388 H HN -0.059 nan 8.280 nan 0.000 0.487 3389 P HA -0.225 nan 4.420 nan 0.000 0.219 3389 P C 1.329 178.618 177.300 -0.018 0.000 1.149 3389 P CA 1.381 64.492 63.100 0.018 0.000 0.835 3389 P CB -0.141 31.512 31.700 -0.078 0.000 0.778 3390 L N -1.726 119.522 121.223 0.042 0.000 2.042 3390 L HA -0.115 4.226 4.340 0.002 0.000 0.210 3390 L C 1.680 178.615 176.870 0.109 0.000 1.076 3390 L CA 0.480 55.346 54.840 0.044 0.000 0.749 3390 L CB -0.928 41.224 42.059 0.153 0.000 0.893 3390 L HN 0.027 nan 8.230 nan 0.000 0.432 3391 L N 2.052 123.382 121.223 0.178 0.000 2.601 3391 L HA -0.014 4.327 4.340 0.002 0.000 0.277 3391 L C -1.572 175.465 176.870 0.277 0.000 1.219 3391 L CA -0.983 54.000 54.840 0.238 0.000 0.915 3391 L CB 0.346 42.634 42.059 0.382 0.000 1.160 3391 L HN -0.072 nan 8.230 nan 0.000 0.494 3392 P HA 0.067 nan 4.420 nan 0.000 0.286 3392 P C -0.497 176.881 177.300 0.129 0.000 1.293 3392 P CA -0.288 62.893 63.100 0.135 0.000 0.770 3392 P CB 0.867 32.468 31.700 -0.165 0.000 1.206 3393 D N -1.776 118.618 120.400 -0.010 0.000 2.355 3393 D HA 0.039 4.680 4.640 0.002 0.000 0.206 3393 D C 0.752 177.025 176.300 -0.045 0.000 1.010 3393 D CA 1.164 55.166 54.000 0.004 0.000 0.875 3393 D CB 0.462 41.230 40.800 -0.054 0.000 0.966 3393 D HN 0.509 nan 8.370 nan 0.000 0.512 3394 T N -2.307 112.085 114.554 -0.270 0.000 2.841 3394 T HA 0.588 4.939 4.350 0.002 0.000 0.296 3394 T C -1.167 173.167 174.700 -0.610 0.000 1.166 3394 T CA -0.857 61.060 62.100 -0.305 0.000 1.007 3394 T CB 1.515 70.287 68.868 -0.160 0.000 1.253 3394 T HN -0.183 nan 8.240 nan 0.000 0.511 3395 F N 1.371 121.264 119.950 -0.095 0.000 2.434 3395 F HA 0.417 4.945 4.527 0.002 0.000 0.355 3395 F C 0.225 175.984 175.800 -0.068 0.000 1.115 3395 F CA -0.958 56.934 58.000 -0.180 0.000 1.010 3395 F CB 1.121 39.617 39.000 -0.841 0.000 1.234 3395 F HN 0.568 nan 8.300 nan 0.000 0.439 3396 N N 5.010 123.761 118.700 0.085 0.000 2.469 3396 N HA 0.334 5.075 4.740 0.002 0.000 0.239 3396 N C -1.052 174.437 175.510 -0.036 0.000 1.053 3396 N CA -0.461 52.591 53.050 0.004 0.000 0.937 3396 N CB 1.020 39.485 38.487 -0.036 0.000 1.163 3396 N HN 0.279 nan 8.380 nan 0.000 0.509 3397 I N 2.077 122.607 120.570 -0.066 0.000 2.306 3397 I HA 0.228 4.399 4.170 0.002 0.000 0.288 3397 I C 1.091 177.201 176.117 -0.012 0.000 1.036 3397 I CA 0.037 61.191 61.300 -0.244 0.000 1.221 3397 I CB -0.405 37.258 38.000 -0.562 0.000 1.385 3397 I HN 0.793 nan 8.210 nan 0.000 0.472 3398 E N 3.191 123.372 120.200 -0.032 0.000 3.148 3398 E HA -0.314 4.037 4.350 0.002 0.000 0.342 3398 E C 0.360 176.957 176.600 -0.006 0.000 1.461 3398 E CA 1.924 58.332 56.400 0.014 0.000 1.588 3398 E CB -0.352 29.393 29.700 0.076 0.000 1.798 3398 E HN 0.681 nan 8.360 nan 0.000 0.512 3399 D N 0.773 121.169 120.400 -0.007 0.000 2.088 3399 D HA -0.094 4.548 4.640 0.002 0.000 0.196 3399 D C 0.541 176.800 176.300 -0.069 0.000 0.983 3399 D CA 1.225 55.201 54.000 -0.039 0.000 0.846 3399 D CB -0.462 40.311 40.800 -0.046 0.000 0.992 3399 D HN 0.196 nan 8.370 nan 0.000 0.448 3400 Q N 0.561 120.316 119.800 -0.075 0.000 2.523 3400 Q HA -0.038 4.303 4.340 0.002 0.000 0.322 3400 Q C -0.057 175.752 176.000 -0.318 0.000 1.284 3400 Q CA 1.121 56.776 55.803 -0.246 0.000 1.035 3400 Q CB 0.234 28.774 28.738 -0.331 0.000 1.307 3400 Q HN 0.339 nan 8.270 nan 0.000 0.468 3401 E N 0.034 119.922 120.200 -0.520 0.000 2.304 3401 E HA 0.372 4.723 4.350 0.002 0.000 0.277 3401 E C -1.451 174.856 176.600 -0.488 0.000 0.898 3401 E CA -0.270 55.922 56.400 -0.348 0.000 0.764 3401 E CB 1.276 30.851 29.700 -0.208 0.000 1.216 3401 E HN 0.388 nan 8.360 nan 0.000 0.419 3402 Y N -0.043 120.216 120.300 -0.069 0.000 2.598 3402 Y HA 0.418 4.969 4.550 0.002 0.000 0.340 3402 Y C 0.518 176.461 175.900 0.072 0.000 1.038 3402 Y CA -0.801 57.296 58.100 -0.005 0.000 1.100 3402 Y CB 1.947 40.376 38.460 -0.052 0.000 1.281 3402 Y HN 0.437 nan 8.280 nan 0.000 0.488 3403 S N -0.191 115.716 115.700 0.344 0.000 2.681 3403 S HA 0.422 4.893 4.470 0.002 0.000 0.299 3403 S C 0.287 175.236 174.600 0.581 0.000 1.113 3403 S CA -0.615 57.808 58.200 0.372 0.000 1.013 3403 S CB 0.648 63.986 63.200 0.230 0.000 1.076 3403 S HN 0.476 nan 8.310 nan 0.000 0.534 3404 F N 1.650 121.783 119.950 0.305 0.000 2.065 3404 F HA -0.026 4.501 4.527 0.002 0.000 0.298 3404 F C 2.274 178.199 175.800 0.208 0.000 1.112 3404 F CA 1.652 59.883 58.000 0.386 0.000 1.212 3404 F CB -1.257 37.908 39.000 0.275 0.000 0.975 3404 F HN 0.561 nan 8.300 nan 0.000 0.476 3405 K N 0.197 120.805 120.400 0.347 0.000 2.173 3405 K HA -0.221 4.100 4.320 0.002 0.000 0.207 3405 K C 1.881 178.554 176.600 0.122 0.000 1.046 3405 K CA 1.557 57.940 56.287 0.161 0.000 0.929 3405 K CB -0.560 32.012 32.500 0.121 0.000 0.720 3405 K HN 0.432 nan 8.250 nan 0.000 0.453 3406 Q N -0.686 119.243 119.800 0.215 0.000 1.990 3406 Q HA -0.005 4.336 4.340 0.002 0.000 0.195 3406 Q C 1.879 177.999 176.000 0.199 0.000 0.977 3406 Q CA 0.733 56.668 55.803 0.220 0.000 0.828 3406 Q CB -0.329 28.618 28.738 0.350 0.000 0.896 3406 Q HN 0.116 nan 8.270 nan 0.000 0.447 3407 F N 1.901 121.870 119.950 0.032 0.000 2.048 3407 F HA -0.216 4.312 4.527 0.002 0.000 0.296 3407 F C 0.953 176.625 175.800 -0.213 0.000 1.109 3407 F CA 1.039 58.938 58.000 -0.168 0.000 1.214 3407 F CB -0.738 38.096 39.000 -0.277 0.000 0.963 3407 F HN 0.070 nan 8.300 nan 0.000 0.491 3408 L N 1.390 122.563 121.223 -0.083 0.000 2.720 3408 L HA -0.260 4.081 4.340 0.002 0.000 0.289 3408 L C 0.611 177.192 176.870 -0.481 0.000 1.232 3408 L CA 0.779 55.375 54.840 -0.408 0.000 0.915 3408 L CB -0.998 40.616 42.059 -0.741 0.000 1.184 3408 L HN 0.559 nan 8.230 nan 0.000 0.491 3409 Y N 0.564 120.814 120.300 -0.083 0.000 4.236 3409 Y HA -0.305 4.246 4.550 0.002 0.000 0.220 3409 Y C 0.926 176.726 175.900 -0.167 0.000 1.115 3409 Y CA 0.298 58.331 58.100 -0.111 0.000 1.811 3409 Y CB -1.545 36.890 38.460 -0.041 0.000 1.581 3409 Y HN 0.728 nan 8.280 nan 0.000 0.643 3410 N N 1.701 120.334 118.700 -0.111 0.000 3.228 3410 N HA 0.151 4.892 4.740 0.002 0.000 0.289 3410 N C 0.225 175.600 175.510 -0.226 0.000 1.419 3410 N CA -0.076 52.894 53.050 -0.133 0.000 1.088 3410 N CB -0.325 38.114 38.487 -0.080 0.000 1.357 3410 N HN 0.531 nan 8.380 nan 0.000 0.504 3411 N N -0.724 117.795 118.700 -0.302 0.000 2.520 3411 N HA -0.108 4.633 4.740 0.002 0.000 0.185 3411 N C 1.384 176.697 175.510 -0.329 0.000 1.068 3411 N CA 0.219 53.032 53.050 -0.394 0.000 0.911 3411 N CB 0.257 38.391 38.487 -0.589 0.000 0.961 3411 N HN 0.219 nan 8.380 nan 0.000 0.446 3412 S N 1.004 116.560 115.700 -0.240 0.000 2.400 3412 S HA -0.086 4.385 4.470 0.002 0.000 0.232 3412 S C 1.804 176.362 174.600 -0.070 0.000 1.025 3412 S CA 0.768 58.878 58.200 -0.150 0.000 0.993 3412 S CB -0.080 63.070 63.200 -0.083 0.000 0.808 3412 S HN 0.245 nan 8.310 nan 0.000 0.478 3413 I N 0.849 121.374 120.570 -0.075 0.000 2.076 3413 I HA -0.220 3.951 4.170 0.002 0.000 0.237 3413 I C 2.309 178.502 176.117 0.126 0.000 1.059 3413 I CA 1.089 62.376 61.300 -0.023 0.000 1.317 3413 I CB -0.521 37.388 38.000 -0.151 0.000 1.037 3413 I HN 0.316 nan 8.210 nan 0.000 0.398 3414 L N 0.897 122.146 121.223 0.044 0.000 1.991 3414 L HA -0.281 4.060 4.340 0.002 0.000 0.221 3414 L C 2.347 179.214 176.870 -0.006 0.000 1.079 3414 L CA 1.974 56.722 54.840 -0.155 0.000 0.778 3414 L CB -0.928 40.823 42.059 -0.513 0.000 0.893 3414 L HN 0.196 nan 8.230 nan 0.000 0.437 3415 L N -0.899 120.252 121.223 -0.119 0.000 2.042 3415 L HA -0.252 4.089 4.340 0.002 0.000 0.210 3415 L C 2.685 179.593 176.870 0.064 0.000 1.076 3415 L CA 1.773 56.541 54.840 -0.119 0.000 0.749 3415 L CB -0.569 41.366 42.059 -0.206 0.000 0.893 3415 L HN 0.481 nan 8.230 nan 0.000 0.432 3416 E N -0.473 119.807 120.200 0.133 0.000 2.023 3416 E HA -0.261 4.090 4.350 0.002 0.000 0.196 3416 E C 2.083 178.842 176.600 0.266 0.000 1.003 3416 E CA 1.907 58.434 56.400 0.212 0.000 0.809 3416 E CB -0.009 29.876 29.700 0.308 0.000 0.755 3416 E HN 0.579 nan 8.360 nan 0.000 0.449 3417 H N -1.347 117.820 119.070 0.162 0.000 2.415 3417 H HA 0.215 4.772 4.556 0.002 0.000 0.297 3417 H C 0.892 176.330 175.328 0.183 0.000 1.048 3417 H CA 0.992 57.134 56.048 0.158 0.000 1.365 3417 H CB 0.137 29.978 29.762 0.132 0.000 1.421 3417 H HN 0.338 nan 8.280 nan 0.000 0.533 3418 G N -0.530 108.500 108.800 0.383 0.000 2.617 3418 G HA2 -0.162 3.799 3.960 0.002 0.000 0.686 3418 G HA3 -0.162 3.799 3.960 0.002 0.000 0.686 3418 G C 0.329 175.389 174.900 0.267 0.000 1.214 3418 G CA -0.220 45.044 45.100 0.273 0.000 0.796 3418 G HN 0.189 nan 8.290 nan 0.000 0.654 3419 L N 1.200 122.497 121.223 0.123 0.000 2.012 3419 L HA -0.122 4.219 4.340 0.002 0.000 0.210 3419 L C 3.310 180.236 176.870 0.093 0.000 1.073 3419 L CA 3.297 58.155 54.840 0.029 0.000 0.748 3419 L CB -1.713 40.298 42.059 -0.080 0.000 0.891 3419 L HN 0.970 nan 8.230 nan 0.000 0.431 3420 T N -1.616 112.978 114.554 0.067 0.000 2.624 3420 T HA -0.279 4.072 4.350 0.002 0.000 0.268 3420 T C 1.851 176.603 174.700 0.087 0.000 1.041 3420 T CA 1.156 63.291 62.100 0.058 0.000 1.159 3420 T CB -0.302 68.591 68.868 0.041 0.000 0.863 3420 T HN 0.217 nan 8.240 nan 0.000 0.434 3421 Q N 0.260 120.130 119.800 0.117 0.000 1.975 3421 Q HA -0.010 4.331 4.340 0.002 0.000 0.205 3421 Q C 2.147 178.176 176.000 0.049 0.000 0.990 3421 Q CA 1.433 57.288 55.803 0.086 0.000 0.845 3421 Q CB -0.936 27.872 28.738 0.117 0.000 0.913 3421 Q HN 0.543 nan 8.270 nan 0.000 0.420 3422 F N 0.298 120.183 119.950 -0.109 0.000 2.079 3422 F HA -0.366 4.162 4.527 0.002 0.000 0.296 3422 F C 2.419 178.106 175.800 -0.188 0.000 1.084 3422 F CA 1.684 59.508 58.000 -0.293 0.000 1.236 3422 F CB -0.768 38.102 39.000 -0.218 0.000 0.984 3422 F HN -0.081 nan 8.300 nan 0.000 0.488 3423 V N -0.194 119.817 119.914 0.162 0.000 2.220 3423 V HA -0.350 3.771 4.120 0.002 0.000 0.242 3423 V C 2.124 178.294 176.094 0.127 0.000 1.041 3423 V CA 2.287 64.666 62.300 0.131 0.000 0.990 3423 V CB -0.971 30.886 31.823 0.056 0.000 0.634 3423 V HN 0.321 nan 8.190 nan 0.000 0.452 3424 E N 0.549 120.802 120.200 0.088 0.000 2.119 3424 E HA -0.300 4.051 4.350 0.002 0.000 0.221 3424 E C 2.299 178.957 176.600 0.096 0.000 1.062 3424 E CA 2.225 58.683 56.400 0.096 0.000 0.894 3424 E CB -0.475 29.267 29.700 0.070 0.000 0.785 3424 E HN 0.573 nan 8.360 nan 0.000 0.472 3425 S N 0.558 116.270 115.700 0.019 0.000 2.392 3425 S HA -0.200 4.271 4.470 0.002 0.000 0.225 3425 S C 1.747 176.433 174.600 0.144 0.000 1.041 3425 S CA 1.495 59.685 58.200 -0.017 0.000 1.100 3425 S CB -0.559 62.497 63.200 -0.240 0.000 1.029 3425 S HN 0.180 nan 8.310 nan 0.000 0.424 3426 F N 2.225 122.244 119.950 0.115 0.000 2.307 3426 F HA -0.069 4.459 4.527 0.002 0.000 0.301 3426 F C 2.632 178.533 175.800 0.168 0.000 1.076 3426 F CA 0.666 58.777 58.000 0.185 0.000 1.383 3426 F CB -1.800 37.365 39.000 0.275 0.000 1.055 3426 F HN 0.184 nan 8.300 nan 0.000 0.526 3427 T N 0.276 115.023 114.554 0.321 0.000 3.098 3427 T HA -0.118 4.233 4.350 0.002 0.000 0.266 3427 T C 1.901 176.728 174.700 0.213 0.000 1.145 3427 T CA 1.111 63.350 62.100 0.231 0.000 1.092 3427 T CB -0.145 68.834 68.868 0.185 0.000 0.908 3427 T HN 0.463 nan 8.240 nan 0.000 0.526 3428 R N 0.853 121.472 120.500 0.200 0.000 2.320 3428 R HA 0.204 4.545 4.340 0.002 0.000 0.193 3428 R C 1.284 177.664 176.300 0.132 0.000 0.885 3428 R CA -0.201 55.987 56.100 0.146 0.000 1.085 3428 R CB -0.328 30.035 30.300 0.105 0.000 1.253 3428 R HN 0.256 nan 8.270 nan 0.000 0.636 3429 Q N 2.889 122.787 119.800 0.164 0.000 2.504 3429 Q HA -0.011 4.330 4.340 0.002 0.000 0.263 3429 Q C -0.013 176.057 176.000 0.116 0.000 1.343 3429 Q CA -0.185 55.696 55.803 0.129 0.000 0.924 3429 Q CB -0.340 28.517 28.738 0.198 0.000 1.551 3429 Q HN 0.363 nan 8.270 nan 0.000 0.520 3430 I N 2.543 123.165 120.570 0.087 0.000 3.115 3430 I HA -0.112 4.059 4.170 0.002 0.000 0.315 3430 I C -0.332 175.890 176.117 0.175 0.000 1.211 3430 I CA 0.880 62.247 61.300 0.111 0.000 1.453 3430 I CB 0.464 38.532 38.000 0.113 0.000 1.307 3430 I HN 0.657 nan 8.210 nan 0.000 0.568 3431 A N 5.783 128.692 122.820 0.148 0.000 2.320 3431 A HA 0.720 5.041 4.320 0.002 0.000 0.334 3431 A C 0.224 177.856 177.584 0.080 0.000 1.147 3431 A CA -0.163 51.965 52.037 0.151 0.000 0.820 3431 A CB 0.623 19.654 19.000 0.053 0.000 1.218 3431 A HN 1.061 nan 8.150 nan 0.000 0.482 3432 G N 0.714 109.496 108.800 -0.030 0.000 2.398 3432 G HA2 0.379 4.340 3.960 0.002 0.000 0.246 3432 G HA3 0.379 4.340 3.960 0.002 0.000 0.246 3432 G C 0.424 175.100 174.900 -0.374 0.000 1.289 3432 G CA -0.382 44.425 45.100 -0.488 0.000 0.869 3432 G HN 0.865 nan 8.290 nan 0.000 0.543 3433 R N 1.007 121.252 120.500 -0.424 0.000 2.861 3433 R HA 0.129 4.470 4.340 0.002 0.000 0.268 3433 R C 0.445 176.531 176.300 -0.357 0.000 1.027 3433 R CA -0.091 55.778 56.100 -0.385 0.000 1.163 3433 R CB 0.565 30.669 30.300 -0.328 0.000 1.060 3433 R HN 0.298 nan 8.270 nan 0.000 0.483 3434 V N 1.374 121.052 119.914 -0.392 0.000 3.371 3434 V HA 0.075 4.196 4.120 0.002 0.000 0.246 3434 V C 1.415 177.397 176.094 -0.187 0.000 1.303 3434 V CA 1.051 63.178 62.300 -0.289 0.000 1.156 3434 V CB 0.499 32.104 31.823 -0.362 0.000 0.929 3434 V HN 0.884 nan 8.190 nan 0.000 0.459 3435 A N 0.693 123.399 122.820 -0.190 0.000 2.030 3435 A HA 0.213 4.534 4.320 0.002 0.000 0.215 3435 A C 2.258 179.780 177.584 -0.104 0.000 1.164 3435 A CA 1.343 53.325 52.037 -0.093 0.000 0.697 3435 A CB -0.809 18.171 19.000 -0.034 0.000 0.827 3435 A HN 0.479 nan 8.150 nan 0.000 0.457 3436 G N -0.001 108.717 108.800 -0.137 0.000 2.599 3436 G HA2 0.235 4.196 3.960 0.002 0.000 0.219 3436 G HA3 0.235 4.196 3.960 0.002 0.000 0.219 3436 G C 0.989 175.828 174.900 -0.102 0.000 1.193 3436 G CA 1.193 46.221 45.100 -0.120 0.000 0.778 3436 G HN 1.821 nan 8.290 nan 0.000 0.589 3437 G N -2.220 106.515 108.800 -0.108 0.000 2.317 3437 G HA2 0.392 4.353 3.960 0.002 0.000 0.445 3437 G HA3 0.392 4.353 3.960 0.002 0.000 0.445 3437 G C -0.035 174.812 174.900 -0.088 0.000 1.486 3437 G CA -0.172 44.874 45.100 -0.090 0.000 0.991 3437 G HN 1.123 nan 8.290 nan 0.000 0.660 3438 R N -0.474 119.984 120.500 -0.070 0.000 2.828 3438 R HA -0.251 4.091 4.340 0.002 0.000 0.233 3438 R C 0.119 176.375 176.300 -0.073 0.000 0.821 3438 R CA 1.119 57.184 56.100 -0.059 0.000 0.563 3438 R CB -1.169 29.102 30.300 -0.048 0.000 1.117 3438 R HN 0.536 nan 8.270 nan 0.000 0.508 3439 N N 0.179 118.831 118.700 -0.081 0.000 2.451 3439 N HA 0.115 4.856 4.740 0.002 0.000 0.271 3439 N C -1.229 174.244 175.510 -0.062 0.000 1.410 3439 N CA -0.249 52.735 53.050 -0.111 0.000 0.884 3439 N CB 1.207 39.583 38.487 -0.186 0.000 1.332 3439 N HN 0.192 nan 8.380 nan 0.000 0.498 3440 V N 2.479 122.383 119.914 -0.016 0.000 2.348 3440 V HA 0.426 4.547 4.120 0.002 0.000 0.270 3440 V C -1.961 174.139 176.094 0.011 0.000 1.037 3440 V CA -1.741 60.581 62.300 0.037 0.000 0.872 3440 V CB 1.069 32.929 31.823 0.062 0.000 1.002 3440 V HN 0.143 nan 8.190 nan 0.000 0.464 3441 P HA -0.031 nan 4.420 nan 0.000 0.267 3441 P C 0.712 177.949 177.300 -0.105 0.000 1.175 3441 P CA 0.292 63.360 63.100 -0.053 0.000 0.763 3441 P CB 0.590 32.285 31.700 -0.009 0.000 0.795 3442 I N 2.369 122.842 120.570 -0.162 0.000 2.617 3442 I HA -0.141 4.030 4.170 0.002 0.000 0.256 3442 I C 2.248 178.276 176.117 -0.149 0.000 1.167 3442 I CA 1.416 62.638 61.300 -0.130 0.000 1.469 3442 I CB -1.238 36.693 38.000 -0.116 0.000 1.098 3442 I HN 0.358 nan 8.210 nan 0.000 0.436 3443 A N 0.030 122.688 122.820 -0.270 0.000 1.902 3443 A HA -0.131 4.191 4.320 0.002 0.000 0.217 3443 A C 2.334 179.896 177.584 -0.037 0.000 1.181 3443 A CA 1.619 53.537 52.037 -0.198 0.000 0.623 3443 A CB -1.019 17.704 19.000 -0.462 0.000 0.818 3443 A HN 0.226 nan 8.150 nan 0.000 0.443 3444 V N 0.443 120.344 119.914 -0.022 0.000 3.383 3444 V HA -0.222 3.899 4.120 0.002 0.000 0.272 3444 V C 2.257 178.292 176.094 -0.099 0.000 1.181 3444 V CA 1.410 63.706 62.300 -0.006 0.000 1.171 3444 V CB -0.874 30.965 31.823 0.027 0.000 0.800 3444 V HN 0.613 nan 8.190 nan 0.000 0.515 3445 Q N 0.320 120.077 119.800 -0.071 0.000 1.968 3445 Q HA -0.404 3.937 4.340 0.002 0.000 0.216 3445 Q C 2.405 178.364 176.000 -0.068 0.000 1.037 3445 Q CA 2.851 58.617 55.803 -0.062 0.000 0.889 3445 Q CB -0.463 28.248 28.738 -0.045 0.000 0.998 3445 Q HN 0.642 nan 8.270 nan 0.000 0.417 3446 A N -0.101 122.689 122.820 -0.050 0.000 1.894 3446 A HA -0.286 4.035 4.320 0.002 0.000 0.220 3446 A C 2.243 179.778 177.584 -0.081 0.000 1.237 3446 A CA 2.465 54.474 52.037 -0.047 0.000 0.660 3446 A CB -1.355 17.630 19.000 -0.026 0.000 0.835 3446 A HN 0.354 nan 8.150 nan 0.000 0.461 3447 V N -0.481 119.357 119.914 -0.126 0.000 2.217 3447 V HA -0.322 3.799 4.120 0.002 0.000 0.248 3447 V C 3.068 179.021 176.094 -0.236 0.000 1.050 3447 V CA 2.692 64.869 62.300 -0.206 0.000 1.007 3447 V CB -1.466 30.176 31.823 -0.301 0.000 0.639 3447 V HN 0.759 nan 8.190 nan 0.000 0.452 3448 A N -0.856 121.762 122.820 -0.336 0.000 1.971 3448 A HA -0.375 3.946 4.320 0.002 0.000 0.222 3448 A C 2.330 179.956 177.584 0.071 0.000 1.182 3448 A CA 2.674 54.685 52.037 -0.044 0.000 0.649 3448 A CB -0.680 18.337 19.000 0.029 0.000 0.818 3448 A HN 0.577 nan 8.150 nan 0.000 0.458 3449 K N -0.628 119.772 120.400 0.000 0.000 2.002 3449 K HA -0.107 4.214 4.320 0.002 0.000 0.209 3449 K C 2.322 178.920 176.600 -0.003 0.000 1.048 3449 K CA 1.250 57.551 56.287 0.023 0.000 0.930 3449 K CB -0.423 32.077 32.500 0.000 0.000 0.714 3449 K HN 0.397 nan 8.250 nan 0.000 0.438 3450 A N 1.295 124.085 122.820 -0.050 0.000 1.869 3450 A HA -0.240 4.082 4.320 0.002 0.000 0.218 3450 A C 2.139 179.659 177.584 -0.107 0.000 1.203 3450 A CA 2.703 54.698 52.037 -0.069 0.000 0.638 3450 A CB -1.119 17.826 19.000 -0.091 0.000 0.831 3450 A HN 0.483 nan 8.150 nan 0.000 0.450 3451 S N -0.053 115.527 115.700 -0.199 0.000 2.432 3451 S HA -0.277 4.194 4.470 0.002 0.000 0.243 3451 S C 1.663 176.082 174.600 -0.301 0.000 1.069 3451 S CA 2.049 60.021 58.200 -0.380 0.000 1.047 3451 S CB -0.733 62.048 63.200 -0.700 0.000 0.854 3451 S HN 0.554 nan 8.310 nan 0.000 0.474 3452 I N 1.563 122.106 120.570 -0.045 0.000 2.364 3452 I HA -0.071 4.100 4.170 0.002 0.000 0.241 3452 I C 2.095 178.216 176.117 0.007 0.000 1.082 3452 I CA 0.868 62.209 61.300 0.068 0.000 1.401 3452 I CB -0.482 37.615 38.000 0.161 0.000 1.126 3452 I HN 0.045 nan 8.210 nan 0.000 0.429 3453 D N 1.272 121.675 120.400 0.005 0.000 2.154 3453 D HA -0.247 4.394 4.640 0.002 0.000 0.190 3453 D C 2.076 178.372 176.300 -0.006 0.000 1.003 3453 D CA 1.548 55.550 54.000 0.003 0.000 0.849 3453 D CB -0.599 40.201 40.800 -0.001 0.000 0.942 3453 D HN 0.482 nan 8.370 nan 0.000 0.446 3454 Q N 0.821 120.602 119.800 -0.032 0.000 1.935 3454 Q HA -0.169 4.172 4.340 0.002 0.000 0.212 3454 Q C 2.436 178.425 176.000 -0.018 0.000 1.008 3454 Q CA 1.959 57.744 55.803 -0.030 0.000 0.868 3454 Q CB -0.697 28.006 28.738 -0.059 0.000 0.946 3454 Q HN 0.289 nan 8.270 nan 0.000 0.418 3455 S N 1.264 116.892 115.700 -0.120 0.000 2.421 3455 S HA -0.265 4.206 4.470 0.002 0.000 0.239 3455 S C 1.860 176.528 174.600 0.114 0.000 1.054 3455 S CA 1.815 59.920 58.200 -0.158 0.000 1.035 3455 S CB -0.447 62.389 63.200 -0.607 0.000 0.840 3455 S HN 0.283 nan 8.310 nan 0.000 0.475 3456 R N 1.394 121.926 120.500 0.053 0.000 2.062 3456 R HA -0.070 4.271 4.340 0.002 0.000 0.231 3456 R C 2.598 178.945 176.300 0.077 0.000 1.136 3456 R CA 1.701 57.849 56.100 0.079 0.000 0.948 3456 R CB -0.355 29.975 30.300 0.050 0.000 0.845 3456 R HN 0.674 nan 8.270 nan 0.000 0.430 3457 E N 0.678 120.909 120.200 0.052 0.000 2.049 3457 E HA -0.232 4.119 4.350 0.002 0.000 0.198 3457 E C 1.439 178.060 176.600 0.036 0.000 1.007 3457 E CA 1.397 57.819 56.400 0.036 0.000 0.809 3457 E CB -0.318 29.394 29.700 0.020 0.000 0.749 3457 E HN 0.317 nan 8.360 nan 0.000 0.450 3458 M N 1.528 121.167 119.600 0.064 0.000 2.804 3458 M HA 0.016 4.497 4.480 0.002 0.000 0.208 3458 M C -0.463 175.883 176.300 0.077 0.000 1.109 3458 M CA 0.359 55.687 55.300 0.048 0.000 1.029 3458 M CB -0.286 32.392 32.600 0.129 0.000 1.806 3458 M HN -0.089 nan 8.290 nan 0.000 0.491 3459 K N -0.427 120.024 120.400 0.084 0.000 3.333 3459 K HA -0.229 4.092 4.320 0.002 0.000 0.267 3459 K C -0.656 176.023 176.600 0.132 0.000 0.863 3459 K CA 0.932 57.270 56.287 0.085 0.000 0.646 3459 K CB -2.320 30.192 32.500 0.021 0.000 1.499 3459 K HN 0.396 nan 8.250 nan 0.000 0.461 3460 Y N 0.899 121.240 120.300 0.068 0.000 2.641 3460 Y HA -0.128 4.423 4.550 0.002 0.000 0.351 3460 Y C 1.861 177.888 175.900 0.211 0.000 1.269 3460 Y CA 0.829 59.027 58.100 0.163 0.000 1.485 3460 Y CB 0.470 39.000 38.460 0.117 0.000 1.364 3460 Y HN 0.227 nan 8.280 nan 0.000 0.651 3461 Q N 0.104 120.224 119.800 0.534 0.000 2.162 3461 Q HA 0.281 4.622 4.340 0.002 0.000 0.197 3461 Q C -0.206 176.011 176.000 0.362 0.000 1.013 3461 Q CA -0.729 55.227 55.803 0.255 0.000 1.040 3461 Q CB 1.182 29.820 28.738 -0.167 0.000 1.114 3461 Q HN 0.728 nan 8.270 nan 0.000 0.547 3462 S N -0.199 115.604 115.700 0.171 0.000 2.579 3462 S HA -0.016 4.455 4.470 0.002 0.000 0.275 3462 S C 0.894 175.638 174.600 0.241 0.000 1.345 3462 S CA -0.362 57.939 58.200 0.169 0.000 1.031 3462 S CB 0.465 63.709 63.200 0.073 0.000 0.892 3462 S HN 0.638 nan 8.310 nan 0.000 0.529 3463 L N 3.713 125.041 121.223 0.175 0.000 2.191 3463 L HA -0.022 4.319 4.340 0.002 0.000 0.212 3463 L C 1.906 178.821 176.870 0.074 0.000 1.103 3463 L CA 1.882 56.809 54.840 0.146 0.000 0.769 3463 L CB -0.646 41.433 42.059 0.033 0.000 0.908 3463 L HN 0.855 nan 8.230 nan 0.000 0.438 3464 N N -0.934 117.776 118.700 0.017 0.000 2.270 3464 N HA -0.144 4.597 4.740 0.002 0.000 0.181 3464 N C 1.551 177.045 175.510 -0.027 0.000 1.016 3464 N CA 0.826 53.853 53.050 -0.038 0.000 0.870 3464 N CB 0.095 38.554 38.487 -0.047 0.000 0.979 3464 N HN 0.374 nan 8.380 nan 0.000 0.431 3465 E N 0.590 120.780 120.200 -0.017 0.000 2.006 3465 E HA -0.156 4.195 4.350 0.002 0.000 0.192 3465 E C 1.548 178.099 176.600 -0.082 0.000 0.993 3465 E CA 1.226 57.568 56.400 -0.098 0.000 0.808 3465 E CB -0.673 28.912 29.700 -0.191 0.000 0.764 3465 E HN 0.491 nan 8.360 nan 0.000 0.449 3466 Y N 1.042 121.365 120.300 0.039 0.000 2.465 3466 Y HA -0.137 4.414 4.550 0.002 0.000 0.289 3466 Y C 2.538 178.461 175.900 0.040 0.000 1.150 3466 Y CA 1.053 59.197 58.100 0.074 0.000 1.293 3466 Y CB -0.139 38.351 38.460 0.050 0.000 0.977 3466 Y HN -0.004 nan 8.280 nan 0.000 0.556 3467 R N -0.013 120.546 120.500 0.098 0.000 2.052 3467 R HA -0.088 4.253 4.340 0.002 0.000 0.226 3467 R C 2.225 178.544 176.300 0.032 0.000 1.145 3467 R CA 1.038 57.136 56.100 -0.005 0.000 0.952 3467 R CB -0.131 30.088 30.300 -0.135 0.000 0.847 3467 R HN 0.220 nan 8.270 nan 0.000 0.431 3468 K N 0.235 120.633 120.400 -0.004 0.000 2.044 3468 K HA -0.222 4.099 4.320 0.002 0.000 0.210 3468 K C 2.144 178.755 176.600 0.017 0.000 1.049 3468 K CA 1.241 57.517 56.287 -0.019 0.000 0.927 3468 K CB -0.189 32.278 32.500 -0.056 0.000 0.713 3468 K HN -0.084 nan 8.250 nan 0.000 0.443 3469 R N 1.104 121.634 120.500 0.051 0.000 2.143 3469 R HA -0.155 4.186 4.340 0.002 0.000 0.239 3469 R C 1.263 177.574 176.300 0.018 0.000 1.126 3469 R CA 1.756 57.887 56.100 0.051 0.000 0.927 3469 R CB -1.067 29.354 30.300 0.201 0.000 0.860 3469 R HN 0.204 nan 8.270 nan 0.000 0.433 3470 F N 1.503 121.406 119.950 -0.078 0.000 2.811 3470 F HA 0.082 4.610 4.527 0.002 0.000 0.292 3470 F C 0.594 176.358 175.800 -0.061 0.000 1.240 3470 F CA 0.277 58.217 58.000 -0.099 0.000 1.422 3470 F CB -0.363 38.567 39.000 -0.116 0.000 1.045 3470 F HN 0.051 nan 8.300 nan 0.000 0.512 3471 S N -0.040 115.700 115.700 0.068 0.000 3.550 3471 S HA -0.248 4.223 4.470 0.002 0.000 0.372 3471 S C -0.389 174.247 174.600 0.060 0.000 0.966 3471 S CA 0.133 58.368 58.200 0.059 0.000 1.229 3471 S CB -2.470 60.784 63.200 0.090 0.000 0.917 3471 S HN 0.443 nan 8.310 nan 0.000 0.496 3472 L N 0.370 121.614 121.223 0.034 0.000 2.341 3472 L HA 0.464 4.805 4.340 0.002 0.000 0.278 3472 L C 0.591 177.426 176.870 -0.059 0.000 1.005 3472 L CA -1.050 53.782 54.840 -0.013 0.000 0.818 3472 L CB 1.140 43.168 42.059 -0.051 0.000 1.259 3472 L HN 0.057 nan 8.230 nan 0.000 0.418 3473 K N 3.939 124.306 120.400 -0.056 0.000 2.447 3473 K HA 0.173 4.494 4.320 0.002 0.000 0.281 3473 K C -2.249 174.270 176.600 -0.136 0.000 1.031 3473 K CA -1.344 54.908 56.287 -0.058 0.000 1.019 3473 K CB 0.403 32.894 32.500 -0.015 0.000 0.918 3473 K HN 0.272 nan 8.250 nan 0.000 0.476 3474 P HA 0.040 nan 4.420 nan 0.000 0.272 3474 P C -0.575 176.670 177.300 -0.091 0.000 1.230 3474 P CA -0.058 62.948 63.100 -0.157 0.000 0.788 3474 P CB 0.342 31.991 31.700 -0.085 0.000 0.949 3475 Y N 0.267 120.529 120.300 -0.064 0.000 2.436 3475 Y HA 0.026 4.577 4.550 0.002 0.000 0.336 3475 Y C 2.236 178.077 175.900 -0.098 0.000 1.049 3475 Y CA -0.294 57.756 58.100 -0.084 0.000 1.294 3475 Y CB 0.573 38.958 38.460 -0.126 0.000 1.179 3475 Y HN 0.419 nan 8.280 nan 0.000 0.520 3476 T N -1.209 113.421 114.554 0.126 0.000 3.055 3476 T HA 0.006 4.357 4.350 0.002 0.000 0.265 3476 T C 0.399 175.119 174.700 0.034 0.000 1.111 3476 T CA 0.561 62.694 62.100 0.054 0.000 1.118 3476 T CB -0.034 68.866 68.868 0.054 0.000 0.909 3476 T HN 0.492 nan 8.240 nan 0.000 0.501 3477 S N -1.035 114.672 115.700 0.012 0.000 2.537 3477 S HA 0.528 4.999 4.470 0.002 0.000 0.271 3477 S C -0.094 174.504 174.600 -0.004 0.000 1.148 3477 S CA -0.912 57.319 58.200 0.051 0.000 0.868 3477 S CB 0.420 63.665 63.200 0.075 0.000 1.115 3477 S HN -0.053 nan 8.310 nan 0.000 0.461 3478 F N 1.366 121.283 119.950 -0.055 0.000 2.202 3478 F HA 0.056 4.584 4.527 0.002 0.000 0.301 3478 F C 2.490 178.209 175.800 -0.135 0.000 1.082 3478 F CA 1.609 59.551 58.000 -0.096 0.000 1.313 3478 F CB -0.456 38.500 39.000 -0.073 0.000 1.024 3478 F HN 0.812 nan 8.300 nan 0.000 0.495 3479 E N 0.137 120.395 120.200 0.098 0.000 2.204 3479 E HA -0.239 4.113 4.350 0.002 0.000 0.195 3479 E C 2.161 178.703 176.600 -0.096 0.000 0.990 3479 E CA 1.113 57.512 56.400 -0.002 0.000 0.821 3479 E CB -0.057 29.649 29.700 0.009 0.000 0.750 3479 E HN 0.546 nan 8.360 nan 0.000 0.477 3480 E N -0.042 120.067 120.200 -0.152 0.000 2.072 3480 E HA -0.179 4.172 4.350 0.002 0.000 0.190 3480 E C 2.076 178.315 176.600 -0.601 0.000 0.982 3480 E CA 0.802 57.038 56.400 -0.275 0.000 0.803 3480 E CB -0.069 29.510 29.700 -0.203 0.000 0.755 3480 E HN 0.258 nan 8.360 nan 0.000 0.453 3481 L N 0.673 121.440 121.223 -0.760 0.000 2.191 3481 L HA -0.091 4.250 4.340 0.002 0.000 0.212 3481 L C 1.864 178.481 176.870 -0.422 0.000 1.103 3481 L CA 2.465 56.733 54.840 -0.953 0.000 0.769 3481 L CB -0.421 41.344 42.059 -0.491 0.000 0.908 3481 L HN 0.263 nan 8.230 nan 0.000 0.438 3482 T N -4.397 110.007 114.554 -0.250 0.000 2.999 3482 T HA 0.515 4.866 4.350 0.002 0.000 0.247 3482 T C 1.551 176.182 174.700 -0.114 0.000 1.012 3482 T CA 0.352 62.368 62.100 -0.139 0.000 1.048 3482 T CB 0.247 69.069 68.868 -0.077 0.000 1.020 3482 T HN 0.500 nan 8.240 nan 0.000 0.478 3483 G N 2.561 111.290 108.800 -0.118 0.000 3.909 3483 G HA2 -0.317 3.644 3.960 0.002 0.000 0.218 3483 G HA3 -0.317 3.644 3.960 0.002 0.000 0.218 3483 G C 0.173 175.039 174.900 -0.056 0.000 1.404 3483 G CA 0.222 45.273 45.100 -0.081 0.000 0.905 3483 G HN 0.940 nan 8.290 nan 0.000 0.589 3484 E N 1.812 121.980 120.200 -0.053 0.000 2.422 3484 E HA 0.576 4.927 4.350 0.002 0.000 0.260 3484 E C 0.965 177.544 176.600 -0.035 0.000 1.108 3484 E CA 0.525 56.900 56.400 -0.041 0.000 0.943 3484 E CB 0.496 30.171 29.700 -0.042 0.000 0.961 3484 E HN 0.574 nan 8.360 nan 0.000 0.443 3485 K N 0.665 121.047 120.400 -0.030 0.000 2.334 3485 K HA 0.012 4.333 4.320 0.002 0.000 0.195 3485 K C 1.409 177.991 176.600 -0.030 0.000 1.045 3485 K CA -0.093 56.178 56.287 -0.026 0.000 1.004 3485 K CB 0.119 32.605 32.500 -0.023 0.000 0.837 3485 K HN 0.465 nan 8.250 nan 0.000 0.510 3486 E N 1.856 122.037 120.200 -0.031 0.000 1.983 3486 E HA -0.197 4.154 4.350 0.002 0.000 0.208 3486 E C 1.955 178.533 176.600 -0.036 0.000 1.006 3486 E CA 1.608 57.988 56.400 -0.033 0.000 0.872 3486 E CB -0.177 29.503 29.700 -0.032 0.000 0.806 3486 E HN 0.161 nan 8.360 nan 0.000 0.510 3487 M N 0.351 119.931 119.600 -0.033 0.000 2.113 3487 M HA -0.321 4.160 4.480 0.002 0.000 0.255 3487 M C 2.403 178.687 176.300 -0.027 0.000 1.073 3487 M CA 2.124 57.408 55.300 -0.028 0.000 1.091 3487 M CB -0.635 31.950 32.600 -0.026 0.000 1.309 3487 M HN 0.251 nan 8.290 nan 0.000 0.407 3488 A N 0.539 123.352 122.820 -0.013 0.000 1.873 3488 A HA -0.283 4.038 4.320 0.002 0.000 0.219 3488 A C 2.398 179.921 177.584 -0.101 0.000 1.269 3488 A CA 3.055 55.101 52.037 0.015 0.000 0.671 3488 A CB -1.473 17.545 19.000 0.029 0.000 0.842 3488 A HN 0.596 nan 8.150 nan 0.000 0.460 3489 A N -0.754 122.012 122.820 -0.091 0.000 1.917 3489 A HA -0.226 4.095 4.320 0.002 0.000 0.219 3489 A C 1.977 179.470 177.584 -0.153 0.000 1.182 3489 A CA 2.522 54.483 52.037 -0.127 0.000 0.633 3489 A CB -0.647 18.307 19.000 -0.076 0.000 0.819 3489 A HN 0.701 nan 8.150 nan 0.000 0.448 3490 E N 0.045 120.184 120.200 -0.102 0.000 2.085 3490 E HA -0.166 4.185 4.350 0.002 0.000 0.194 3490 E C 1.759 178.302 176.600 -0.095 0.000 0.994 3490 E CA 1.558 57.911 56.400 -0.079 0.000 0.801 3490 E CB -0.406 29.268 29.700 -0.043 0.000 0.743 3490 E HN 0.606 nan 8.360 nan 0.000 0.453 3491 L N 0.005 121.150 121.223 -0.129 0.000 2.023 3491 L HA -0.086 4.255 4.340 0.002 0.000 0.205 3491 L C 2.465 179.078 176.870 -0.428 0.000 1.073 3491 L CA 1.375 56.147 54.840 -0.114 0.000 0.745 3491 L CB -0.454 41.624 42.059 0.030 0.000 0.900 3491 L HN 0.096 nan 8.230 nan 0.000 0.435 3492 K N 0.791 120.593 120.400 -0.997 0.000 2.293 3492 K HA -0.213 4.108 4.320 0.002 0.000 0.204 3492 K C 1.800 178.141 176.600 -0.432 0.000 1.045 3492 K CA 1.578 57.160 56.287 -1.175 0.000 0.933 3492 K CB -0.280 31.743 32.500 -0.794 0.000 0.736 3492 K HN 0.305 nan 8.250 nan 0.000 0.463 3493 A N 0.414 123.076 122.820 -0.264 0.000 1.855 3493 A HA -0.058 4.263 4.320 0.002 0.000 0.215 3493 A C 2.215 179.755 177.584 -0.074 0.000 1.191 3493 A CA 1.550 53.511 52.037 -0.127 0.000 0.613 3493 A CB -0.612 18.334 19.000 -0.089 0.000 0.829 3493 A HN 0.310 nan 8.150 nan 0.000 0.442 3494 L N -2.523 118.680 121.223 -0.032 0.000 2.044 3494 L HA -0.138 4.203 4.340 0.002 0.000 0.205 3494 L C 2.462 179.336 176.870 0.008 0.000 1.075 3494 L CA 1.310 56.156 54.840 0.010 0.000 0.747 3494 L CB -0.383 41.732 42.059 0.093 0.000 0.903 3494 L HN 0.485 nan 8.230 nan 0.000 0.435 3495 Y N -1.190 119.125 120.300 0.026 0.000 2.503 3495 Y HA -0.004 4.548 4.550 0.002 0.000 0.277 3495 Y C 1.993 178.001 175.900 0.180 0.000 1.102 3495 Y CA 0.313 58.516 58.100 0.172 0.000 1.261 3495 Y CB 0.255 38.967 38.460 0.420 0.000 1.096 3495 Y HN 0.162 nan 8.280 nan 0.000 0.546 3496 S N -1.071 114.763 115.700 0.224 0.000 4.112 3496 S HA -0.312 4.159 4.470 0.002 0.000 0.265 3496 S C 0.156 174.964 174.600 0.346 0.000 1.845 3496 S CA 1.356 59.656 58.200 0.167 0.000 4.199 3496 S CB -1.471 61.798 63.200 0.114 0.000 0.291 3496 S HN 0.477 nan 8.310 nan 0.000 0.455 3497 D N 2.101 122.696 120.400 0.326 0.000 2.317 3497 D HA 0.447 5.088 4.640 0.002 0.000 0.252 3497 D C 0.927 177.383 176.300 0.260 0.000 1.174 3497 D CA -0.197 53.966 54.000 0.270 0.000 0.866 3497 D CB 0.994 41.887 40.800 0.154 0.000 1.127 3497 D HN 0.251 nan 8.370 nan 0.000 0.467 3498 I N 4.239 124.865 120.570 0.092 0.000 2.185 3498 I HA -0.325 3.846 4.170 0.002 0.000 0.246 3498 I C 1.301 177.257 176.117 -0.268 0.000 1.088 3498 I CA 1.667 62.662 61.300 -0.509 0.000 1.347 3498 I CB -0.194 37.581 38.000 -0.375 0.000 1.041 3498 I HN 0.427 nan 8.210 nan 0.000 0.415 3499 D N 0.368 120.724 120.400 -0.073 0.000 2.127 3499 D HA -0.178 4.463 4.640 0.002 0.000 0.190 3499 D C 2.126 178.440 176.300 0.024 0.000 1.000 3499 D CA 2.125 56.111 54.000 -0.024 0.000 0.839 3499 D CB -0.801 40.005 40.800 0.010 0.000 0.955 3499 D HN 0.332 nan 8.370 nan 0.000 0.446 3500 V N 0.881 120.857 119.914 0.104 0.000 3.244 3500 V HA -0.162 3.959 4.120 0.002 0.000 0.273 3500 V C 1.091 177.385 176.094 0.333 0.000 1.180 3500 V CA 0.194 62.617 62.300 0.205 0.000 1.182 3500 V CB -1.049 30.919 31.823 0.242 0.000 0.796 3500 V HN 0.148 nan 8.190 nan 0.000 0.543 3501 M N 1.754 121.404 119.600 0.083 0.000 2.238 3501 M HA 0.193 4.675 4.480 0.002 0.000 0.350 3501 M C 0.357 176.649 176.300 -0.013 0.000 1.321 3501 M CA -0.343 54.835 55.300 -0.204 0.000 1.097 3501 M CB -0.320 32.007 32.600 -0.455 0.000 1.713 3501 M HN 0.348 nan 8.290 nan 0.000 0.455 3502 E N 3.599 123.845 120.200 0.076 0.000 2.354 3502 E HA 0.025 4.376 4.350 0.002 0.000 0.269 3502 E C 0.666 177.284 176.600 0.031 0.000 1.036 3502 E CA -0.403 56.085 56.400 0.146 0.000 0.876 3502 E CB 0.979 30.829 29.700 0.251 0.000 1.009 3502 E HN 0.750 nan 8.360 nan 0.000 0.416 3503 L N 4.423 125.676 121.223 0.050 0.000 1.932 3503 L HA -0.262 4.079 4.340 0.002 0.000 0.217 3503 L C 2.144 178.993 176.870 -0.034 0.000 1.077 3503 L CA 1.876 56.709 54.840 -0.011 0.000 0.765 3503 L CB -0.917 41.093 42.059 -0.082 0.000 0.888 3503 L HN 0.727 nan 8.230 nan 0.000 0.433 3504 Y N 1.172 121.373 120.300 -0.166 0.000 2.038 3504 Y HA -0.292 4.260 4.550 0.002 0.000 0.266 3504 Y C -0.617 175.251 175.900 -0.054 0.000 1.220 3504 Y CA 2.789 60.806 58.100 -0.138 0.000 1.107 3504 Y CB -2.170 36.196 38.460 -0.157 0.000 0.932 3504 Y HN 0.306 nan 8.280 nan 0.000 0.500 3505 P HA -0.220 nan 4.420 nan 0.000 0.210 3505 P C 1.686 178.846 177.300 -0.233 0.000 1.189 3505 P CA 2.862 65.804 63.100 -0.262 0.000 0.920 3505 P CB -0.601 31.070 31.700 -0.048 0.000 0.782 3506 A N -0.990 121.737 122.820 -0.155 0.000 2.067 3506 A HA -0.242 4.079 4.320 0.002 0.000 0.224 3506 A C 2.268 179.798 177.584 -0.089 0.000 1.172 3506 A CA 1.872 53.841 52.037 -0.114 0.000 0.662 3506 A CB -1.878 17.073 19.000 -0.082 0.000 0.814 3506 A HN 0.141 nan 8.150 nan 0.000 0.468 3507 L N -1.274 119.872 121.223 -0.129 0.000 2.044 3507 L HA -0.103 4.238 4.340 0.002 0.000 0.205 3507 L C 2.523 179.333 176.870 -0.099 0.000 1.075 3507 L CA 1.082 55.867 54.840 -0.092 0.000 0.747 3507 L CB -0.317 41.689 42.059 -0.087 0.000 0.903 3507 L HN 0.374 nan 8.230 nan 0.000 0.435 3508 L N -1.263 119.837 121.223 -0.206 0.000 2.217 3508 L HA -0.119 4.222 4.340 0.002 0.000 0.211 3508 L C 2.166 178.962 176.870 -0.124 0.000 1.107 3508 L CA 0.531 55.269 54.840 -0.170 0.000 0.783 3508 L CB -0.113 41.791 42.059 -0.259 0.000 0.919 3508 L HN 0.099 nan 8.230 nan 0.000 0.442 3509 V N -1.388 118.452 119.914 -0.122 0.000 3.174 3509 V HA -0.035 4.086 4.120 0.002 0.000 0.254 3509 V C 1.314 177.363 176.094 -0.075 0.000 1.120 3509 V CA 0.108 62.353 62.300 -0.091 0.000 1.114 3509 V CB -0.221 31.553 31.823 -0.082 0.000 0.756 3509 V HN 0.340 nan 8.190 nan 0.000 0.467 3510 E N 1.639 121.804 120.200 -0.059 0.000 2.636 3510 E HA -0.187 4.164 4.350 0.002 0.000 0.278 3510 E C 0.482 177.054 176.600 -0.045 0.000 1.064 3510 E CA 0.390 56.774 56.400 -0.027 0.000 1.011 3510 E CB 0.250 29.972 29.700 0.037 0.000 1.029 3510 E HN 0.228 nan 8.360 nan 0.000 0.463 3511 K N 4.424 124.791 120.400 -0.055 0.000 2.231 3511 K HA 0.205 4.526 4.320 0.002 0.000 0.275 3511 K C -2.415 174.175 176.600 -0.016 0.000 1.105 3511 K CA -1.774 54.478 56.287 -0.059 0.000 0.931 3511 K CB 0.458 32.898 32.500 -0.100 0.000 1.296 3511 K HN 0.166 nan 8.250 nan 0.000 0.446 3512 P HA -0.114 nan 4.420 nan 0.000 0.271 3512 P C -0.461 176.843 177.300 0.007 0.000 1.197 3512 P CA 0.320 63.409 63.100 -0.017 0.000 0.777 3512 P CB 0.437 32.095 31.700 -0.070 0.000 0.827 3513 R N 2.426 122.944 120.500 0.030 0.000 2.528 3513 R HA 0.297 4.638 4.340 0.002 0.000 0.271 3513 R C -1.926 174.363 176.300 -0.018 0.000 1.056 3513 R CA -1.815 54.304 56.100 0.032 0.000 1.117 3513 R CB -0.591 29.773 30.300 0.107 0.000 1.085 3513 R HN 0.330 nan 8.270 nan 0.000 0.530 3514 P HA -0.182 nan 4.420 nan 0.000 0.212 3514 P C -0.980 176.289 177.300 -0.052 0.000 0.974 3514 P CA 1.163 64.245 63.100 -0.030 0.000 1.226 3514 P CB -0.141 31.555 31.700 -0.006 0.000 1.258 3515 D N -1.511 118.851 120.400 -0.063 0.000 2.911 3515 D HA -0.174 4.467 4.640 0.002 0.000 0.199 3515 D C 0.541 176.769 176.300 -0.121 0.000 1.041 3515 D CA 1.307 55.255 54.000 -0.088 0.000 1.013 3515 D CB -1.300 39.451 40.800 -0.080 0.000 1.093 3515 D HN 0.468 nan 8.370 nan 0.000 0.431 3516 A N 0.531 123.290 122.820 -0.102 0.000 2.280 3516 A HA 0.597 4.918 4.320 0.002 0.000 0.268 3516 A C 1.455 178.893 177.584 -0.243 0.000 1.111 3516 A CA 0.262 52.220 52.037 -0.132 0.000 0.814 3516 A CB 0.525 19.529 19.000 0.007 0.000 1.093 3516 A HN 0.240 nan 8.150 nan 0.000 0.498 3517 I N -2.263 118.058 120.570 -0.415 0.000 3.854 3517 I HA 0.338 4.509 4.170 0.002 0.000 0.312 3517 I C -0.805 174.873 176.117 -0.731 0.000 1.273 3517 I CA 0.041 60.944 61.300 -0.662 0.000 1.298 3517 I CB 0.034 37.435 38.000 -0.999 0.000 1.071 3517 I HN 0.402 nan 8.210 nan 0.000 0.428 3518 F N 0.141 119.972 119.950 -0.199 0.000 2.598 3518 F HA 0.690 5.218 4.527 0.002 0.000 0.327 3518 F C 0.989 176.756 175.800 -0.055 0.000 1.057 3518 F CA -0.768 57.139 58.000 -0.155 0.000 0.957 3518 F CB 0.722 39.636 39.000 -0.143 0.000 1.278 3518 F HN -0.190 nan 8.300 nan 0.000 0.484 3519 G N -0.296 108.628 108.800 0.207 0.000 2.509 3519 G HA2 0.214 4.175 3.960 0.002 0.000 0.269 3519 G HA3 0.214 4.175 3.960 0.002 0.000 0.269 3519 G C 0.612 175.619 174.900 0.177 0.000 1.416 3519 G CA -0.102 45.088 45.100 0.151 0.000 1.052 3519 G HN 0.682 nan 8.290 nan 0.000 0.542 3520 E N -1.205 119.098 120.200 0.171 0.000 2.042 3520 E HA -0.088 4.263 4.350 0.002 0.000 0.189 3520 E C 2.295 178.939 176.600 0.074 0.000 0.974 3520 E CA 1.436 57.929 56.400 0.156 0.000 0.806 3520 E CB -0.583 29.218 29.700 0.168 0.000 0.769 3520 E HN 0.368 nan 8.360 nan 0.000 0.451 3521 T N 1.945 116.527 114.554 0.047 0.000 2.536 3521 T HA -0.297 4.054 4.350 0.002 0.000 0.263 3521 T C 1.908 176.563 174.700 -0.075 0.000 1.115 3521 T CA 2.685 64.761 62.100 -0.040 0.000 1.180 3521 T CB -0.478 68.372 68.868 -0.030 0.000 0.864 3521 T HN 0.321 nan 8.240 nan 0.000 0.419 3522 M N 0.472 120.043 119.600 -0.049 0.000 2.144 3522 M HA -0.130 4.351 4.480 0.002 0.000 0.260 3522 M C 2.105 178.322 176.300 -0.139 0.000 1.067 3522 M CA 1.539 56.773 55.300 -0.110 0.000 1.095 3522 M CB -0.417 32.093 32.600 -0.150 0.000 1.365 3522 M HN 0.111 nan 8.290 nan 0.000 0.406 3523 V N 0.350 120.219 119.914 -0.075 0.000 2.270 3523 V HA -0.211 3.910 4.120 0.002 0.000 0.245 3523 V C 2.195 178.283 176.094 -0.011 0.000 1.043 3523 V CA 1.894 64.173 62.300 -0.035 0.000 1.014 3523 V CB -0.689 31.159 31.823 0.041 0.000 0.645 3523 V HN 0.441 nan 8.190 nan 0.000 0.447 3524 E N -0.301 119.891 120.200 -0.012 0.000 2.510 3524 E HA -0.067 4.284 4.350 0.002 0.000 0.202 3524 E C 1.747 178.268 176.600 -0.130 0.000 1.072 3524 E CA 0.657 57.054 56.400 -0.005 0.000 0.883 3524 E CB -0.077 29.640 29.700 0.029 0.000 0.818 3524 E HN 0.491 nan 8.360 nan 0.000 0.548 3525 L N -1.816 119.238 121.223 -0.282 0.000 2.347 3525 L HA 0.163 4.505 4.340 0.002 0.000 0.196 3525 L C 2.107 178.855 176.870 -0.203 0.000 1.072 3525 L CA 0.923 55.368 54.840 -0.658 0.000 0.817 3525 L CB -0.661 41.019 42.059 -0.632 0.000 1.029 3525 L HN 0.115 nan 8.230 nan 0.000 0.478 3526 G N -0.265 108.602 108.800 0.111 0.000 2.484 3526 G HA2 -0.104 3.857 3.960 0.002 0.000 0.218 3526 G HA3 -0.104 3.857 3.960 0.002 0.000 0.218 3526 G C 1.689 176.801 174.900 0.352 0.000 1.130 3526 G CA 0.795 46.180 45.100 0.475 0.000 0.784 3526 G HN 0.399 nan 8.290 nan 0.000 0.543 3527 A N 1.783 124.706 122.820 0.172 0.000 1.865 3527 A HA 0.041 4.362 4.320 0.002 0.000 0.217 3527 A C 0.734 178.392 177.584 0.125 0.000 1.191 3527 A CA 1.960 54.084 52.037 0.143 0.000 0.623 3527 A CB -1.124 17.937 19.000 0.103 0.000 0.826 3527 A HN 0.383 nan 8.150 nan 0.000 0.444 3528 P HA -0.089 nan 4.420 nan 0.000 0.210 3528 P C 1.420 178.782 177.300 0.104 0.000 1.192 3528 P CA 0.888 64.028 63.100 0.066 0.000 0.913 3528 P CB -0.354 31.363 31.700 0.029 0.000 0.774 3529 F N 0.028 119.984 119.950 0.010 0.000 2.076 3529 F HA -0.347 4.181 4.527 0.002 0.000 0.294 3529 F C 2.690 178.135 175.800 -0.592 0.000 1.078 3529 F CA 1.499 59.308 58.000 -0.318 0.000 1.247 3529 F CB -0.893 37.889 39.000 -0.364 0.000 0.984 3529 F HN 0.052 nan 8.300 nan 0.000 0.491 3530 S N 0.419 116.069 115.700 -0.084 0.000 2.336 3530 S HA -0.164 4.307 4.470 0.002 0.000 0.214 3530 S C 1.709 176.276 174.600 -0.055 0.000 1.032 3530 S CA 0.841 59.014 58.200 -0.045 0.000 1.001 3530 S CB -0.537 62.831 63.200 0.280 0.000 0.953 3530 S HN 0.155 nan 8.310 nan 0.000 0.430 3531 L N 1.628 122.859 121.223 0.012 0.000 2.661 3531 L HA 0.044 4.385 4.340 0.002 0.000 0.236 3531 L C 2.144 179.003 176.870 -0.018 0.000 1.176 3531 L CA 1.314 56.145 54.840 -0.015 0.000 0.836 3531 L CB -0.906 41.147 42.059 -0.009 0.000 0.960 3531 L HN 0.244 nan 8.230 nan 0.000 0.455 3532 K N -0.168 120.227 120.400 -0.009 0.000 2.074 3532 K HA 0.115 4.436 4.320 0.002 0.000 0.214 3532 K C 1.926 178.523 176.600 -0.005 0.000 1.029 3532 K CA 1.151 57.472 56.287 0.056 0.000 0.966 3532 K CB -1.165 31.333 32.500 -0.003 0.000 0.945 3532 K HN 0.171 nan 8.250 nan 0.000 0.453 3533 G N 2.291 111.002 108.800 -0.148 0.000 2.631 3533 G HA2 -0.235 3.726 3.960 0.002 0.000 0.221 3533 G HA3 -0.235 3.726 3.960 0.002 0.000 0.221 3533 G C 1.350 176.156 174.900 -0.157 0.000 1.095 3533 G CA 0.747 45.724 45.100 -0.204 0.000 0.727 3533 G HN 0.179 nan 8.290 nan 0.000 0.587 3534 L N -0.627 120.527 121.223 -0.115 0.000 2.071 3534 L HA 0.262 4.603 4.340 0.002 0.000 0.201 3534 L C 2.749 179.583 176.870 -0.061 0.000 1.076 3534 L CA 1.258 56.034 54.840 -0.106 0.000 0.755 3534 L CB -0.690 41.305 42.059 -0.107 0.000 0.915 3534 L HN 0.117 nan 8.230 nan 0.000 0.445 3535 M N -0.503 119.089 119.600 -0.014 0.000 2.160 3535 M HA 0.099 4.580 4.480 0.002 0.000 0.264 3535 M C 2.110 178.588 176.300 0.296 0.000 1.073 3535 M CA 1.282 56.596 55.300 0.024 0.000 1.142 3535 M CB -2.029 30.373 32.600 -0.330 0.000 1.358 3535 M HN 0.265 nan 8.290 nan 0.000 0.422 3536 G N 1.315 110.393 108.800 0.463 0.000 2.601 3536 G HA2 -0.201 3.760 3.960 0.002 0.000 0.214 3536 G HA3 -0.201 3.760 3.960 0.002 0.000 0.214 3536 G C 0.745 175.772 174.900 0.212 0.000 1.132 3536 G CA 0.168 45.454 45.100 0.309 0.000 0.761 3536 G HN 0.522 nan 8.290 nan 0.000 0.550 3537 N N 0.775 119.591 118.700 0.194 0.000 2.518 3537 N HA 0.083 4.824 4.740 0.002 0.000 0.266 3537 N C -1.014 174.582 175.510 0.144 0.000 1.196 3537 N CA -1.439 51.677 53.050 0.111 0.000 0.947 3537 N CB 1.992 40.519 38.487 0.066 0.000 1.098 3537 N HN -0.141 nan 8.380 nan 0.000 0.450 3538 P HA -0.254 nan 4.420 nan 0.000 0.214 3538 P C 1.621 178.739 177.300 -0.303 0.000 1.164 3538 P CA 1.719 64.674 63.100 -0.241 0.000 0.942 3538 P CB -0.300 31.133 31.700 -0.444 0.000 0.791 3539 I N -2.001 118.429 120.570 -0.233 0.000 2.707 3539 I HA -0.236 3.935 4.170 0.002 0.000 0.266 3539 I C 1.502 177.816 176.117 0.328 0.000 1.215 3539 I CA 1.730 63.113 61.300 0.138 0.000 1.442 3539 I CB -1.011 37.241 38.000 0.420 0.000 1.108 3539 I HN -0.106 nan 8.210 nan 0.000 0.464 3540 C N 1.152 120.571 119.300 0.199 0.000 2.697 3540 C HA 0.264 4.725 4.460 0.002 0.000 0.267 3540 C C 1.633 176.719 174.990 0.160 0.000 1.278 3540 C CA 0.232 59.350 59.018 0.166 0.000 1.708 3540 C CB -1.939 25.991 27.740 0.317 0.000 1.860 3540 C HN 0.727 nan 8.230 nan 0.000 0.589 3541 S N 1.702 117.332 115.700 -0.117 0.000 2.601 3541 S HA 0.270 4.741 4.470 0.002 0.000 0.271 3541 S C -1.682 172.927 174.600 0.015 0.000 1.305 3541 S CA -0.698 57.118 58.200 -0.641 0.000 1.022 3541 S CB 0.819 63.715 63.200 -0.507 0.000 0.940 3541 S HN 0.033 nan 8.310 nan 0.000 0.525 3542 P HA -0.167 nan 4.420 nan 0.000 0.214 3542 P C 0.435 177.677 177.300 -0.096 0.000 1.169 3542 P CA 1.425 64.277 63.100 -0.414 0.000 0.908 3542 P CB -0.220 31.133 31.700 -0.580 0.000 0.791 3543 Q N -2.081 117.695 119.800 -0.040 0.000 2.380 3543 Q HA 0.080 4.421 4.340 0.002 0.000 0.254 3543 Q C 0.109 176.075 176.000 -0.057 0.000 0.927 3543 Q CA 0.701 56.471 55.803 -0.055 0.000 0.950 3543 Q CB -1.095 27.593 28.738 -0.082 0.000 1.206 3543 Q HN 0.418 nan 8.270 nan 0.000 0.414 3544 Y N -2.587 117.741 120.300 0.047 0.000 2.510 3544 Y HA 0.101 4.652 4.550 0.002 0.000 0.285 3544 Y C -0.234 175.824 175.900 0.264 0.000 1.089 3544 Y CA -0.933 57.221 58.100 0.090 0.000 1.007 3544 Y CB 0.149 38.697 38.460 0.147 0.000 1.372 3544 Y HN 0.417 nan 8.280 nan 0.000 0.563 3545 W N 6.459 127.958 121.300 0.332 0.000 2.229 3545 W HA 0.254 4.915 4.660 0.002 0.000 0.475 3545 W C -0.665 175.972 176.519 0.197 0.000 0.936 3545 W CA 0.612 58.215 57.345 0.429 0.000 1.783 3545 W CB -0.522 29.292 29.460 0.590 0.000 1.760 3545 W HN 0.030 nan 8.180 nan 0.000 0.318 3546 K N 3.457 123.705 120.400 -0.253 0.000 2.589 3546 K HA 0.207 4.528 4.320 0.002 0.000 0.265 3546 K C -2.487 173.652 176.600 -0.768 0.000 0.935 3546 K CA -1.459 54.461 56.287 -0.612 0.000 0.850 3546 K CB 1.171 33.500 32.500 -0.284 0.000 1.372 3546 K HN -0.228 nan 8.250 nan 0.000 0.420 3547 P HA -0.404 nan 4.420 nan 0.000 0.222 3547 P C 1.387 178.602 177.300 -0.141 0.000 1.159 3547 P CA 2.683 65.511 63.100 -0.453 0.000 0.920 3547 P CB -0.139 31.435 31.700 -0.210 0.000 0.793 3548 S N -0.505 115.091 115.700 -0.173 0.000 2.389 3548 S HA -0.277 4.194 4.470 0.002 0.000 0.229 3548 S C 1.919 176.426 174.600 -0.155 0.000 1.048 3548 S CA 2.734 60.871 58.200 -0.105 0.000 1.117 3548 S CB -2.465 60.651 63.200 -0.141 0.000 1.020 3548 S HN 0.258 nan 8.310 nan 0.000 0.430 3549 T N 1.341 115.656 114.554 -0.398 0.000 2.836 3549 T HA -0.144 4.207 4.350 0.002 0.000 0.268 3549 T C 0.735 174.978 174.700 -0.762 0.000 1.080 3549 T CA 1.653 63.342 62.100 -0.685 0.000 1.128 3549 T CB -0.725 67.489 68.868 -1.091 0.000 0.839 3549 T HN 0.621 nan 8.240 nan 0.000 0.507 3550 F N 0.059 120.072 119.950 0.105 0.000 2.805 3550 F HA 0.555 5.083 4.527 0.002 0.000 0.317 3550 F C 1.452 177.398 175.800 0.244 0.000 1.146 3550 F CA -0.696 57.425 58.000 0.201 0.000 1.265 3550 F CB 0.261 39.402 39.000 0.235 0.000 0.992 3550 F HN 0.158 nan 8.300 nan 0.000 0.511 3551 G N 0.322 109.374 108.800 0.421 0.000 2.147 3551 G HA2 0.122 4.083 3.960 0.002 0.000 0.244 3551 G HA3 0.122 4.083 3.960 0.002 0.000 0.244 3551 G C 0.678 175.749 174.900 0.285 0.000 1.005 3551 G CA 0.175 45.548 45.100 0.455 0.000 0.713 3551 G HN 1.291 nan 8.290 nan 0.000 0.515 3552 G N -1.191 107.735 108.800 0.209 0.000 2.796 3552 G HA2 0.089 4.050 3.960 0.002 0.000 0.571 3552 G HA3 0.089 4.050 3.960 0.002 0.000 0.571 3552 G C 0.694 175.685 174.900 0.152 0.000 1.370 3552 G CA 0.566 45.739 45.100 0.121 0.000 0.856 3552 G HN 0.808 nan 8.290 nan 0.000 0.538 3553 E N -0.682 119.590 120.200 0.119 0.000 2.132 3553 E HA -0.249 4.102 4.350 0.002 0.000 0.218 3553 E C 2.832 179.528 176.600 0.159 0.000 1.058 3553 E CA 1.917 58.421 56.400 0.174 0.000 0.882 3553 E CB -0.881 28.880 29.700 0.100 0.000 0.774 3553 E HN 0.670 nan 8.360 nan 0.000 0.467 3554 V N 0.765 120.723 119.914 0.074 0.000 2.217 3554 V HA -0.302 3.819 4.120 0.002 0.000 0.248 3554 V C 2.384 178.519 176.094 0.068 0.000 1.050 3554 V CA 2.596 64.915 62.300 0.033 0.000 1.007 3554 V CB -1.246 30.555 31.823 -0.036 0.000 0.639 3554 V HN 0.507 nan 8.190 nan 0.000 0.452 3555 G N -1.925 106.928 108.800 0.088 0.000 2.501 3555 G HA2 -0.286 3.675 3.960 0.002 0.000 0.220 3555 G HA3 -0.286 3.675 3.960 0.002 0.000 0.220 3555 G C 1.391 176.411 174.900 0.199 0.000 1.114 3555 G CA 0.866 46.050 45.100 0.141 0.000 0.757 3555 G HN 0.445 nan 8.290 nan 0.000 0.559 3556 F N 1.159 121.115 119.950 0.010 0.000 2.094 3556 F HA 0.165 4.693 4.527 0.002 0.000 0.291 3556 F C 2.474 178.188 175.800 -0.143 0.000 1.109 3556 F CA 1.238 59.163 58.000 -0.125 0.000 1.221 3556 F CB -0.596 38.364 39.000 -0.067 0.000 1.014 3556 F HN 0.102 nan 8.300 nan 0.000 0.473 3557 K N 0.844 121.202 120.400 -0.071 0.000 2.052 3557 K HA -0.271 4.050 4.320 0.002 0.000 0.215 3557 K C 2.240 178.758 176.600 -0.136 0.000 1.053 3557 K CA 2.607 58.799 56.287 -0.159 0.000 0.934 3557 K CB -0.700 31.771 32.500 -0.049 0.000 0.717 3557 K HN 0.376 nan 8.250 nan 0.000 0.450 3558 I N 0.889 121.428 120.570 -0.052 0.000 2.132 3558 I HA -0.431 3.740 4.170 0.002 0.000 0.238 3558 I C 2.419 178.524 176.117 -0.021 0.000 1.012 3558 I CA 2.077 63.369 61.300 -0.014 0.000 1.288 3558 I CB -0.483 37.535 38.000 0.029 0.000 0.997 3558 I HN 0.326 nan 8.210 nan 0.000 0.402 3559 I N 0.757 121.289 120.570 -0.062 0.000 2.127 3559 I HA -0.332 3.839 4.170 0.002 0.000 0.241 3559 I C 2.039 178.150 176.117 -0.009 0.000 1.075 3559 I CA 1.617 62.913 61.300 -0.007 0.000 1.334 3559 I CB -0.677 37.300 38.000 -0.038 0.000 1.040 3559 I HN 0.378 nan 8.210 nan 0.000 0.405 3560 N N 0.502 119.095 118.700 -0.178 0.000 2.513 3560 N HA -0.110 4.631 4.740 0.002 0.000 0.187 3560 N C 0.885 176.362 175.510 -0.056 0.000 1.056 3560 N CA 1.534 54.495 53.050 -0.148 0.000 0.907 3560 N CB -0.509 37.774 38.487 -0.339 0.000 0.954 3560 N HN 0.481 nan 8.380 nan 0.000 0.445 3561 T N -2.396 112.135 114.554 -0.038 0.000 3.504 3561 T HA 0.700 5.051 4.350 0.002 0.000 0.286 3561 T C -0.489 174.221 174.700 0.017 0.000 1.530 3561 T CA -0.858 61.236 62.100 -0.010 0.000 1.652 3561 T CB 0.434 69.289 68.868 -0.023 0.000 0.895 3561 T HN 0.142 nan 8.240 nan 0.000 0.674 3562 A N 1.642 124.491 122.820 0.048 0.000 2.356 3562 A HA 0.904 5.226 4.320 0.002 0.000 0.310 3562 A C -0.033 177.589 177.584 0.063 0.000 1.075 3562 A CA -0.790 51.287 52.037 0.068 0.000 0.746 3562 A CB 1.572 20.646 19.000 0.124 0.000 1.221 3562 A HN 1.207 nan 8.150 nan 0.000 0.443 3563 S N 1.854 117.569 115.700 0.025 0.000 2.540 3563 S HA 0.451 4.922 4.470 0.002 0.000 0.275 3563 S C 0.567 175.134 174.600 -0.056 0.000 1.123 3563 S CA -0.354 57.842 58.200 -0.007 0.000 0.907 3563 S CB 1.052 64.231 63.200 -0.036 0.000 1.081 3563 S HN 1.430 nan 8.310 nan 0.000 0.476 3564 I N 1.965 122.481 120.570 -0.090 0.000 2.229 3564 I HA -0.206 3.965 4.170 0.002 0.000 0.250 3564 I C 2.368 178.352 176.117 -0.220 0.000 1.096 3564 I CA 2.349 63.552 61.300 -0.162 0.000 1.358 3564 I CB -0.474 37.237 38.000 -0.481 0.000 1.047 3564 I HN 0.972 nan 8.210 nan 0.000 0.422 3565 Q N 1.046 120.701 119.800 -0.243 0.000 1.927 3565 Q HA -0.243 4.098 4.340 0.002 0.000 0.210 3565 Q C 2.445 178.348 176.000 -0.162 0.000 1.001 3565 Q CA 3.380 59.037 55.803 -0.243 0.000 0.862 3565 Q CB -1.113 27.501 28.738 -0.207 0.000 0.934 3565 Q HN 0.694 nan 8.270 nan 0.000 0.420 3566 S N 0.796 116.432 115.700 -0.107 0.000 2.374 3566 S HA -0.223 4.248 4.470 0.002 0.000 0.227 3566 S C 1.923 176.467 174.600 -0.093 0.000 1.037 3566 S CA 1.497 59.651 58.200 -0.076 0.000 1.024 3566 S CB -1.135 62.040 63.200 -0.042 0.000 0.861 3566 S HN 0.473 nan 8.310 nan 0.000 0.456 3567 L N 1.339 122.492 121.223 -0.116 0.000 2.064 3567 L HA -0.098 4.243 4.340 0.002 0.000 0.216 3567 L C 2.048 178.806 176.870 -0.187 0.000 1.077 3567 L CA 1.676 56.405 54.840 -0.185 0.000 0.766 3567 L CB -0.916 40.974 42.059 -0.281 0.000 0.890 3567 L HN 0.347 nan 8.230 nan 0.000 0.435 3568 I N -1.702 118.771 120.570 -0.162 0.000 2.480 3568 I HA -0.168 4.003 4.170 0.002 0.000 0.251 3568 I C 2.654 178.707 176.117 -0.107 0.000 1.124 3568 I CA 1.068 62.284 61.300 -0.139 0.000 1.444 3568 I CB -0.653 37.265 38.000 -0.138 0.000 1.098 3568 I HN 0.430 nan 8.210 nan 0.000 0.428 3569 c N 1.059 119.600 118.600 -0.099 0.000 2.393 3569 c HA -0.218 4.353 4.570 0.002 0.000 0.276 3569 c C 2.864 176.921 174.090 -0.055 0.000 1.215 3569 c CA 1.526 57.815 56.329 -0.067 0.000 1.743 3569 c CB -1.191 41.284 42.510 -0.057 0.000 2.044 3569 c HN 0.538 nan 8.230 nan 0.000 0.464 3570 N N 1.014 119.680 118.700 -0.056 0.000 2.062 3570 N HA -0.084 4.657 4.740 0.002 0.000 0.191 3570 N C 1.343 176.822 175.510 -0.052 0.000 1.042 3570 N CA 1.371 54.395 53.050 -0.043 0.000 0.845 3570 N CB -0.930 37.538 38.487 -0.032 0.000 1.024 3570 N HN 0.551 nan 8.380 nan 0.000 0.424 3571 N N 0.625 119.283 118.700 -0.071 0.000 2.309 3571 N HA -0.033 4.708 4.740 0.002 0.000 0.182 3571 N C 0.113 175.567 175.510 -0.093 0.000 1.018 3571 N CA 0.308 53.310 53.050 -0.081 0.000 0.876 3571 N CB 0.104 38.528 38.487 -0.105 0.000 0.972 3571 N HN 0.044 nan 8.380 nan 0.000 0.434 3572 V N 0.631 120.493 119.914 -0.087 0.000 2.630 3572 V HA 0.234 4.355 4.120 0.002 0.000 0.305 3572 V C 0.549 176.609 176.094 -0.056 0.000 1.046 3572 V CA -1.231 61.022 62.300 -0.080 0.000 0.934 3572 V CB 2.068 33.848 31.823 -0.072 0.000 1.003 3572 V HN -0.059 nan 8.190 nan 0.000 0.451 3573 K N 1.763 122.133 120.400 -0.050 0.000 2.469 3573 K HA 0.328 4.649 4.320 0.002 0.000 0.274 3573 K C 1.315 177.906 176.600 -0.015 0.000 0.983 3573 K CA 1.212 57.480 56.287 -0.032 0.000 0.974 3573 K CB 0.176 32.660 32.500 -0.026 0.000 0.913 3573 K HN 1.156 nan 8.250 nan 0.000 0.493 3574 G N 2.252 111.046 108.800 -0.009 0.000 2.200 3574 G HA2 -0.374 3.587 3.960 0.002 0.000 0.268 3574 G HA3 -0.374 3.587 3.960 0.002 0.000 0.268 3574 G C 0.456 175.360 174.900 0.006 0.000 0.986 3574 G CA 0.220 45.321 45.100 0.002 0.000 0.677 3574 G HN 0.849 nan 8.290 nan 0.000 0.532 3575 c N 0.193 118.789 118.600 -0.006 0.000 3.899 3575 c HA -0.107 4.465 4.570 0.002 0.000 0.297 3575 c C -0.563 173.535 174.090 0.013 0.000 1.371 3575 c CA -0.159 56.165 56.329 -0.008 0.000 2.088 3575 c CB -1.604 40.905 42.510 -0.001 0.000 1.346 3575 c HN 0.748 nan 8.230 nan 0.000 0.658 3576 P HA 0.133 nan 4.420 nan 0.000 0.262 3576 P C 0.192 177.520 177.300 0.047 0.000 1.199 3576 P CA 0.286 63.416 63.100 0.049 0.000 0.763 3576 P CB 0.291 32.013 31.700 0.036 0.000 0.790 3577 F N 4.268 124.210 119.950 -0.013 0.000 2.626 3577 F HA 0.145 4.673 4.527 0.002 0.000 0.354 3577 F C -0.050 175.738 175.800 -0.022 0.000 1.168 3577 F CA 1.321 59.309 58.000 -0.019 0.000 1.368 3577 F CB 0.440 39.431 39.000 -0.014 0.000 1.092 3577 F HN 0.338 nan 8.300 nan 0.000 0.612 3578 T N 3.118 116.698 114.554 -1.624 0.000 2.769 3578 T HA 0.538 4.889 4.350 0.002 0.000 0.306 3578 T C -1.419 172.533 174.700 -1.246 0.000 1.400 3578 T CA -0.677 60.768 62.100 -1.092 0.000 1.007 3578 T CB 1.515 70.104 68.868 -0.466 0.000 1.392 3578 T HN 0.797 nan 8.240 nan 0.000 0.500 3579 S N -1.232 114.107 115.700 -0.602 0.000 2.627 3579 S HA 0.514 4.985 4.470 0.002 0.000 0.268 3579 S C -1.349 173.072 174.600 -0.298 0.000 1.130 3579 S CA -0.650 57.299 58.200 -0.420 0.000 0.819 3579 S CB 0.440 63.592 63.200 -0.081 0.000 1.100 3579 S HN 0.624 nan 8.310 nan 0.000 0.465 3580 F N 1.500 121.382 119.950 -0.113 0.000 2.732 3580 F HA 0.370 4.898 4.527 0.002 0.000 0.303 3580 F C 1.001 176.604 175.800 -0.328 0.000 1.110 3580 F CA -0.193 57.702 58.000 -0.176 0.000 1.355 3580 F CB 0.295 39.145 39.000 -0.250 0.000 1.081 3580 F HN 0.395 nan 8.300 nan 0.000 0.565 3581 N N 0.064 118.766 118.700 0.004 0.000 2.342 3581 N HA 0.241 4.982 4.740 0.002 0.000 0.293 3581 N C -0.896 174.690 175.510 0.127 0.000 1.026 3581 N CA -0.398 52.696 53.050 0.074 0.000 0.857 3581 N CB 2.075 40.654 38.487 0.153 0.000 1.256 3581 N HN -0.129 nan 8.380 nan 0.000 0.484 3582 V N 4.744 124.725 119.914 0.111 0.000 2.149 3582 V HA 0.128 4.249 4.120 0.002 0.000 0.245 3582 V C -0.555 175.595 176.094 0.094 0.000 1.349 3582 V CA 0.120 62.490 62.300 0.117 0.000 1.289 3582 V CB -1.277 30.602 31.823 0.094 0.000 1.401 3582 V HN 0.842 nan 8.190 nan 0.000 0.501 3583 Q N 0.000 119.868 119.800 0.114 0.000 2.315 3583 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 3583 Q CA 0.000 55.834 55.803 0.051 0.000 1.022 3583 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 3583 Q HN 0.000 nan 8.270 nan 0.000 0.481